REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-SEP-04 1WPB COMPND HYPOTHETICAL PROTEIN YFBU; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YFBU; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR D.BOREK,Y.CHEN,M.ZHENG,T.SKARINA,A.SAVCHENKO,A.EDWARDS,Z.OTWINOWSKI, AUTHOR 2 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET CL I2001 1 HET CL J2002 1 HET CL K2003 1 HET CL C2004 1 HET CL H2005 1 HET CL C2006 1 HET CL I2007 1 HET CL D2008 1 HET CL L2009 1 HET CL B2010 1 HET CL C2011 1 HET CL D2012 1 HET CL E2013 1 HET CL H2014 1 HET CL I2015 1 HET CL J2016 1 HET CL M2017 1 HET CL O2018 1 HET CL P2019 1 HET CL A2020 1 HET CL C2021 1 HET CL D2022 1 HET CL F2023 1 HET CL H2024 1 HET CL I2025 1 HET CL J2026 1 HET CL K2027 1 HET CL L2028 1 HET CL M2029 1 HET CL N2030 1 HET CL C2031 1 HET CL E2032 1 HET CL G2033 1 HET CL F2034 1 HET CL F2035 1 HET CL O2036 1 HET GOL G3001 6 HET GOL E3002 6 HET GOL B3003 6 HET GOL E3004 6 HET GOL D3005 6 HET GOL H3006 6 HET GOL M3007 6 HET GOL N3008 6 HET GOL K3009 6 HET GOL K3010 6 HET GOL K3011 6 HET GOL N3012 6 HET GOL O3013 6 HET GOL P3014 6 HET GOL B3015 6 HET GOL H3016 6 HET GOL B3017 6 HET GOL D3018 6 HET GOL D3019 6 HET GOL D3020 6 HET GOL C3021 6 HET GOL E3022 6 HET GOL B3023 6 HET GOL B3024 6 HET GOL H3025 6 HET GOL O3026 6 HET GOL L3027 6 HET GOL L3028 6 HET GOL N3029 6 HET GOL J3030 6 HET GOL I3031 6 HET GOL I3032 6 HET GOL J3033 6 HET GOL P3034 6 HET GOL E3035 6 HET GOL C3036 6 HET GOL A3037 6 HET GOL G3038 6 HET GOL F3039 6 HET GOL A3040 6 HET GOL K3041 6 HET GOL M3042 6 HET GOL M3043 6 HET GOL N3044 6 SITE 1 AC1 4 GLN I 20 GLN L 20 GLN M 20 GLN P 20 SITE 1 AC2 4 GLN J 20 GLN K 20 GLN N 20 GLN O 20 SITE 1 AC3 4 GLN J 13 GLN K 13 GLN N 13 GLN O 13 SITE 1 AC4 4 GLN B 20 GLN C 20 GLN F 20 GLN G 20 SITE 1 AC5 4 GLN A 20 GLN D 20 GLN E 20 GLN H 20 SITE 1 AC6 4 GLN B 13 GLN C 13 GLN F 13 GLN G 13 SITE 1 AC7 4 GLN I 13 GLN L 13 GLN M 13 GLN P 13 SITE 1 AC8 4 GLN A 13 GLN D 13 GLN E 13 GLN H 13 SITE 1 AC9 1 HIS L 76 SITE 1 BC1 1 HIS B 76 SITE 1 BC2 1 HIS D 76 SITE 1 BC3 1 HIS H 76 SITE 1 BC4 1 HIS I 76 SITE 1 BC5 1 HIS J 76 SITE 1 BC6 1 HIS M 76 SITE 1 BC7 1 HIS O 76 SITE 1 BC8 1 HIS P 76 SITE 1 BC9 1 HIS A 79 SITE 1 CC1 1 HIS C 79 SITE 1 CC2 2 HIS D 79 VAL D 80 SITE 1 CC3 2 HIS F 79 VAL F 80 SITE 1 CC4 1 VAL H 80 SITE 1 CC5 1 HIS I 79 SITE 1 CC6 1 HIS J 79 SITE 1 CC7 2 HIS K 79 VAL K 80 SITE 1 CC8 2 HIS L 79 VAL L 80 SITE 1 CC9 1 HIS M 79 SITE 1 DC1 1 HIS N 79 SITE 1 DC2 2 SER C 160 ASN C 162 SITE 1 DC3 1 HIS E 79 SITE 1 DC4 1 HIS G 79 SITE 1 DC5 1 HIS F 76 SITE 1 DC6 4 GLU F 59 LYS F 61 THR F 64 ARG F 108 SITE 1 DC7 6 GLU B 120 GLN G 49 GLU G 52 HIS G 151 SITE 1 DC8 8 ARG C 37 GLN C 49 GLU C 52 HIS E 151 SITE 1 DC9 7 ARG B 37 GLN B 49 GLU B 52 HOH B3104 SITE 1 EC1 7 HIS A 151 GLN A 156 HOH A3082 ARG E 37 SITE 1 EC2 8 ARG D 37 GLN D 49 GLU D 52 MET E 116 SITE 1 EC3 8 MET A 116 GLU A 120 ARG H 37 GLN H 49 SITE 1 EC4 7 HIS I 151 GLN I 156 ARG M 37 GLN M 49 SITE 1 EC5 8 HIS J 151 GLN J 156 ARG N 37 GLN N 49 SITE 1 EC6 7 GLN I 49 GLU I 52 HIS K 151 GLN K 156 SITE 1 EC7 8 GLU J 52 ARG K 66 HOH K3117 THR L 67 SITE 1 EC8 8 ARG K 37 GLN K 49 GLU K 52 HOH K3065 SITE 1 EC9 5 GLN L 49 GLU L 52 GLU M 120 HIS N 151 SITE 1 FC1 8 MET J 116 GLU J 120 GLN O 49 GLU O 52 SITE 1 FC2 7 GLU I 120 ARG P 37 GLN P 49 GLU P 52 SITE 1 FC3 7 HIS B 151 GLN B 156 ARG F 37 GLN F 49 SITE 1 FC4 7 ARG A 66 ARG H 51 THR H 67 ASP H 70 SITE 1 FC5 8 ARG B 66 HOH B3109 ARG G 66 THR G 67 SITE 1 FC6 5 ARG D 122 TYR D 123 THR D 124 HIS D 125 SITE 1 FC7 6 ARG C 66 THR C 67 ASP C 70 HOH C3064 SITE 1 FC8 8 HIS C 76 ARG C 122 TYR C 123 HOH C3098 SITE 1 FC9 6 ARG B 55 ARG C 66 HOH C3113 HOH C3120 SITE 1 GC1 8 GLY E 121 ARG E 122 TYR E 123 THR E 124 SITE 1 GC2 7 GLY B 121 ARG B 122 TYR B 123 THR B 124 SITE 1 GC3 6 THR B 67 ASP B 70 LEU B 147 HOH B3093 SITE 1 GC4 6 THR A 67 ASP A 70 HOH A3119 HOH E3078 SITE 1 GC5 5 ARG J 66 GLU O 52 ASP O 70 HIS O 151 SITE 1 GC6 6 HIS K 76 HOH K3079 ARG L 122 TYR L 123 SITE 1 GC7 6 HOH I3088 THR K 67 ASP K 70 HOH K3067 SITE 1 GC8 4 ARG M 66 THR N 67 ASP N 70 HIS N 151 SITE 1 GC9 7 ARG J 122 TYR J 123 THR J 124 HIS J 125 SITE 1 HC1 5 ARG I 122 TYR I 123 HOH I3136 HOH I3159 SITE 1 HC2 7 THR I 67 ASP I 70 HIS I 151 HOH I3100 SITE 1 HC3 6 HIS J 76 HOH J3088 HOH J3148 ARG O 122 SITE 1 HC4 6 GLU I 73 HIS I 76 TYR I 157 ARG P 122 SITE 1 HC5 6 ARG D 51 GLU D 52 ARG E 66 THR F 67 SITE 1 HC6 8 LEU A 48 GLN A 49 GLU A 52 ASP C 70 SITE 1 HC7 6 GLU A 73 HIS A 76 TYR A 157 ARG H 122 SITE 1 HC8 5 HIS B 76 ARG G 122 TYR G 123 HOH G3078 SITE 1 HC9 7 GLU E 73 HIS E 76 TYR E 157 ARG F 122 SITE 1 IC1 8 ARG A 122 TYR A 123 HOH A3058 HOH A3073 SITE 1 IC2 8 ARG K 122 TYR K 123 THR K 124 HIS K 125 SITE 1 IC3 8 GLU M 73 HIS M 76 TYR M 157 HOH M3135 SITE 1 IC4 8 GLY M 121 ARG M 122 TYR M 123 THR M 124 SITE 1 IC5 6 ARG K 51 HOH K3154 THR M 67 ASP M 70 >GLN.A 3 67.67 79.07 42.08 68.64 80.37 40.66 68.15 79.72 41.37 2 0 27.97 -999 ? O3 GOL B3003 >GLU.A 4 59.22 77.78 43.29 58.16 77.76 45.17 58.69 77.77 44.23 2 0 26.76 -999 ? C3 GOL E3035 >SER~A 5 60.62 79.53 39.05 59.59 79.60 36.82 60.10 79.57 37.93 2 0 22.61 -999 ? O3 GOL B3003 >THR~A 6 58.68 82.79 38.95 59.85 84.16 37.66 59.26 83.47 38.31 2 0 24.81 -999 ? O3 GOL B3003 >MET~A 7 55.83 80.90 37.23 56.69 79.33 33.46 56.26 80.12 35.35 2 0 19.53 -999 ? O3 GOL B3003 >GLU~A 8 55.94 76.65 40.48 57.46 75.24 40.93 56.70 75.95 40.71 2 0 26.27 -999 ? O3 GOL B3003 >MET~A 9 54.90 82.28 42.63 55.18 86.18 41.29 55.04 84.23 41.96 2 0 22.02 -999 ? C3 GOL E3035 >THR~A 10 51.84 82.61 44.79 52.46 82.42 46.82 52.15 82.51 45.81 2 0 20.30 -999 ? C3 GOL E3035 >ASN~A 11 47.69 85.14 44.28 46.82 84.21 42.52 47.25 84.67 43.40 2 0 13.90 -999 ? C3 GOL E3035 >ALA~A 12 50.37 87.15 47.30 50.62 86.57 48.66 50.49 86.86 47.98 2 0 18.39 -999 ? O2 GOL E3035 >GLN~A 13 55.28 85.50 46.85 56.30 83.66 46.60 55.79 84.58 46.72 2 0 -23.72 -999 ? C3 GOL E3035s >ARG~A 14 51.58 86.56 39.71 49.78 85.03 37.73 50.68 85.80 38.72 2 0 17.33 -999 ? C3 GOL E3035 >LEU~A 15 49.47 91.03 45.44 47.95 92.48 45.82 48.71 91.76 45.63 3 0 16.18 -999 ? O2 GOL E3035 >ILE~A 16 54.66 91.26 47.04 55.22 90.87 48.23 54.94 91.06 47.64 3 0 22.44 -999 ? O2 GOL E3035 >LEU~A 17 55.99 91.27 41.94 57.82 90.15 41.94 56.90 90.71 41.94 3 0 23.99 -999 ? C3 GOL E3035 >SER~A 18 52.83 94.35 41.19 50.56 94.79 40.50 51.70 94.57 40.85 2 0 19.06 -999 ? O2 GOL E3035 >ASN~A 19 52.52 96.60 45.55 50.48 96.15 45.93 51.50 96.37 45.74 2 0 19.18 -999 ? O2 GOL E3035 >GLN~A 20 57.93 95.66 45.17 59.59 94.32 45.31 58.76 94.99 45.24 2 0 -27.30 -999 ? O2 GOL E3035s >TYR~A 21 56.96 96.11 38.73 58.94 94.19 38.55 57.95 95.15 38.64 3 0 26.32 -999 ? C3 GOL E3035 >LYS~A 22 53.67 100.75 40.87 47.74 98.27 41.17 50.71 99.51 41.02 2 0 17.94 -999 ? O2 GOL E3035 >MET~A 23 55.97 102.18 43.55 55.94 100.85 47.44 55.95 101.51 45.50 2 0 26.24 -999 ? O1 GOL E3004 >MET~A 24 59.02 102.19 41.22 60.55 98.27 41.10 59.78 100.23 41.16 2 0 29.44 -999 ? O2 GOL E3035 >THR~A 25 56.92 104.13 38.66 55.44 103.64 37.18 56.18 103.88 37.92 2 0 27.96 -999 ? O2 GOL E3035 >MET~A 26 56.14 106.69 41.38 53.44 105.32 44.23 54.79 106.01 42.81 2 0 26.45 -999 ? O2 GOL E3035 >LEU~A 27 60.55 106.01 43.23 60.42 105.64 45.42 60.48 105.82 44.32 3 0 31.15 -999 ? O1 GOL E3004 >ASP~A 28 62.23 105.49 38.88 63.59 105.50 37.26 62.91 105.49 38.07 2 0 35.69 -999 ? O2 GOL E3035 >PRO.A 29 58.82 110.02 37.43 59.16 107.86 36.82 58.99 108.94 37.13 3 0 33.80 -999 ? O2 GOL E3035 >ALA.A 30 61.40 108.08 33.56 62.86 108.52 33.72 62.13 108.30 33.64 2 0 37.44 -999 ? O2 GOL E3035 >ASN~A 31 62.40 103.46 34.22 64.32 104.05 33.59 63.36 103.76 33.91 2 0 35.25 -999 ? O3 GOL B3003 >ALA~A 32 57.58 103.94 33.75 56.64 105.03 33.68 57.11 104.49 33.71 2 0 30.70 -999 ? O2 GOL E3035 >GLU~A 33 58.19 101.47 27.98 58.76 102.32 26.06 58.48 101.90 27.02 2 0 29.96 -999 ? O3 GOL B3003 >ARG~A 34 63.78 99.32 32.06 65.50 99.77 29.57 64.64 99.54 30.82 2 0 29.77 -999 ? O3 GOL B3003 >TYR~A 35 59.25 100.54 36.63 61.78 101.51 37.35 60.51 101.02 36.99 3 0 31.11 -999 ? O2 GOL E3035 >ARG~A 36 51.19 99.66 33.34 49.41 97.31 34.21 50.30 98.48 33.77 2 0 20.86 -999 ? C3 GOL E3035 >ARG~A 37 58.38 95.12 28.70 59.87 92.50 29.19 59.13 93.81 28.95 2 0 23.00 -999 ? O3 GOL B3003 >LEU~A 38 57.90 94.40 35.00 59.98 93.81 34.58 58.94 94.11 34.79 3 0 27.75 -999 ? C3 GOL E3035 >GLN~A 39 51.91 96.29 37.24 50.95 98.18 37.33 51.43 97.24 37.29 2 0 21.54 -999 ? O2 GOL E3035 >THR~A 40 51.54 93.42 33.02 50.86 94.28 31.14 51.20 93.85 32.08 2 0 22.15 -999 ? C3 GOL E3035 >ILE~A 41 55.19 90.25 32.64 56.39 90.02 31.99 55.79 90.14 32.31 3 0 23.78 -999 ? O3 GOL B3003 >ILE~A 42 53.72 90.46 37.70 54.57 89.51 38.35 54.15 89.98 38.03 3 0 21.59 -999 ? C3 GOL E3035 >GLU~A 43 49.19 92.81 37.46 48.57 94.78 37.27 48.88 93.80 37.36 2 0 17.96 -999 ? C3 GOL E3035 >ARG~A 44 47.85 90.78 30.63 47.19 93.18 28.89 47.52 91.98 29.76 2 0 20.37 -999 ? O3 GOL E3035 >GLY~A 45 50.95 85.70 34.39 50.82 86.05 33.63 50.88 85.88 34.01 1 0 19.51 -999 ? C3 GOL E3035 >TYR~A 46 51.78 87.63 29.60 49.70 89.07 28.36 50.74 88.35 28.98 3 0 21.76 -999 ? O3 GOL B3003 >GLY~A 47 54.50 82.41 31.30 54.70 82.96 30.74 54.60 82.69 31.02 1 0 19.03 -999 ? O3 GOL B3003 >LEU~A 48 56.80 83.25 27.08 58.40 83.03 25.62 57.60 83.14 26.35 3 0 -14.56 -999 ? O3 GOL B3003s >GLN~A 49 57.39 88.29 28.43 56.26 87.37 26.90 56.82 87.83 27.66 2 0 -17.97 -999 ? O3 GOL B3003s >MET~A 50 58.15 84.97 33.53 54.48 84.58 35.29 56.32 84.77 34.41 2 0 22.56 -999 ? C3 GOL E3035 >ARG~A 51 61.69 79.67 29.64 62.00 76.91 30.99 61.85 78.29 30.32 2 0 16.54 -999 ? O3 GOL B3003 >GLU~A 52 62.12 85.51 28.52 61.28 86.90 27.21 61.70 86.20 27.86 2 0 -17.57 -999 ? O3 GOL B3003s >LEU~A 53 61.43 86.94 35.32 60.41 88.85 35.36 60.92 87.90 35.34 3 0 24.53 -999 ? O3 GOL B3003 >ASP~A 54 63.60 81.91 35.55 61.73 81.46 36.38 62.66 81.68 35.96 2 0 22.76 -999 ? O3 GOL B3003 >ARG~A 55 66.98 80.93 31.90 64.74 79.05 32.90 65.86 79.99 32.40 2 0 19.31 -999 ? O3 GOL B3003 >GLU.A 56 66.40 88.57 34.15 65.18 90.26 34.28 65.79 89.42 34.22 2 0 25.60 -999 ? O3 GOL B3003 >PHE.A 57 66.85 85.93 39.63 65.57 88.35 40.01 66.21 87.14 39.82 3 0 28.74 -999 ? O3 GOL B3003 >GLY.A 58 72.01 82.97 38.85 71.63 83.18 39.53 71.82 83.07 39.19 1 0 25.44 -999 ? O1 GOL A3040 >GLU.A 59 73.55 78.44 42.57 74.34 76.74 41.50 73.94 77.59 42.04 2 0 24.46 -999 ? O1 GOL A3040 >LEU.A 60 78.21 81.50 42.49 80.29 81.34 41.85 79.25 81.42 42.17 3 0 18.38 -999 ? O1 GOL A3040 >LYS~A 61 77.17 77.82 45.44 75.12 71.91 44.01 76.15 74.87 44.73 2 0 25.67 -999 ? O1 GOL A3040 >GLU~A 62 79.10 78.67 51.18 78.43 78.08 53.09 78.77 78.37 52.13 2 0 17.89 -999 ? O1 GOL A3040 >GLU~A 63 80.85 73.88 49.67 82.12 74.36 51.37 81.48 74.12 50.52 2 0 17.38 -999 ? O3 GOL A3037 >THR~A 64 82.36 77.26 44.89 81.47 76.71 42.95 81.91 76.99 43.92 2 0 18.85 -999 ? O1 GOL A3040 >CYH~A 65 82.73 80.85 46.25 80.16 82.07 46.18 81.44 81.46 46.22 2 0 15.51 -999 ? O1 GOL A3040 >ARG~A 66 83.22 78.39 52.24 82.40 80.24 54.60 82.81 79.32 53.42 2 0 -13.60 -999 ? O1 GOL A3040s >THR~A 67 87.07 77.47 46.60 86.90 75.54 45.71 86.98 76.51 46.15 2 0 -15.67 -999 ? O1 GOL A3040s >ILE~A 68 86.59 81.44 43.74 85.95 82.01 42.64 86.27 81.72 43.19 3 0 13.07 -999 ? O1 GOL A3040 >ILE~A 69 87.90 82.90 48.71 87.30 83.88 49.59 87.60 83.39 49.15 3 0 7.98 -999 ? O1 GOL A3040 >ASP~A 70 90.44 78.16 48.76 91.65 76.94 50.06 91.04 77.55 49.41 2 0 -9.95 -999 ? O3 GOL A3037s >ILE~A 71 91.96 79.42 43.80 91.66 78.77 42.60 91.81 79.09 43.20 3 0 13.02 -999 ? O1 GOL A3040 >MET~A 72 93.46 83.20 45.64 90.56 85.92 44.26 92.01 84.56 44.95 2 0 8.66 -999 ? O1 GOL A3040 >GLU~A 73 94.58 81.89 51.70 95.31 83.75 52.44 94.94 82.82 52.07 2 0 -3.07 -999 ? O3 GOL A3037s >MET~A 74 96.85 79.68 47.75 96.96 76.29 45.39 96.91 77.98 46.57 2 0 12.81 -999 ? O3 GOL A3037 >TYR~A 75 97.97 81.77 42.85 98.10 80.04 40.64 98.04 80.91 41.75 3 0 11.96 -999 ? CL CL A2020 >HIS~A 76 98.60 85.60 50.46 99.38 86.61 52.13 98.99 86.11 51.29 3 0 -4.53 -999 ? C1 GOL A3037s >ALA~A 77 100.75 81.76 50.18 100.07 80.47 50.63 100.41 81.12 50.41 2 0 7.34 -999 ? O2 GOL A3037 >LEU~A 78 102.25 80.22 45.86 101.84 78.25 45.17 102.05 79.23 45.52 3 0 10.20 -999 ? CL CL A2020 >HIS~A 79 103.72 86.36 44.76 104.87 88.01 44.15 104.30 87.19 44.46 3 0 -3.92 -999 ? CL CL A2020s >VAL~A 80 104.92 85.12 49.55 104.04 85.91 51.40 104.48 85.51 50.47 3 0 4.13 -999 ? CL CL A2020 >SER~A 81 106.79 81.80 49.88 105.31 80.20 50.94 106.05 81.00 50.41 2 0 8.94 -999 ? O1 GOL A3037 >TRP~A 82 109.14 82.09 43.02 109.21 85.94 42.13 109.18 84.02 42.58 3 0 8.67 -999 ? CL CL A2020 >SER~A 83 109.33 86.01 47.44 108.27 87.28 49.22 108.80 86.64 48.33 2 0 4.31 -999 ? CL CL A2020 >ASN~A 84 110.27 84.71 52.14 109.25 86.35 53.07 109.76 85.53 52.60 2 0 7.41 -999 ? CL CL A2020 >LEU.A 85 112.31 81.68 47.70 111.61 79.60 47.72 111.96 80.64 47.71 3 0 11.13 -999 ? CL CL A2020 >GLN.A 86 117.19 82.32 51.42 118.45 81.40 52.92 117.82 81.86 52.17 2 0 16.60 -999 ? CL CL A2020 >ASP.A 87 119.40 80.07 45.86 118.99 78.17 46.66 119.20 79.12 46.26 2 0 18.09 -999 ? CL CL A2020 >GLN.A 88 113.28 82.83 44.06 112.75 84.74 43.23 113.02 83.79 43.64 2 0 10.43 -999 ? CL CL A2020 >GLN.A 89 116.34 75.93 43.89 115.64 76.64 45.81 115.99 76.29 44.85 2 0 16.70 -999 ? CL CL A2020 >SER.A 90 114.40 79.77 39.36 116.28 81.03 38.55 115.34 80.40 38.95 2 0 17.05 -999 ? CL CL A2020 >ILE.A 91 109.94 79.17 41.00 109.51 78.56 41.92 109.73 78.87 41.46 3 0 13.05 -999 ? CL CL A2020 >ASP~A 92 108.94 81.51 35.78 108.70 83.14 34.47 108.82 82.33 35.13 2 0 15.30 -999 ? CL CL A2020 >GLU~A 93 106.40 86.90 39.80 107.05 88.84 40.38 106.73 87.87 40.09 2 0 8.07 -999 ? CL CL A2020 >ARG~A 94 103.08 84.27 32.66 100.64 86.13 32.21 101.86 85.20 32.44 2 0 16.48 -999 ? CL CL A2020 >ARG~A 95 104.92 78.08 35.81 104.56 75.04 36.10 104.74 76.56 35.95 2 0 18.23 -999 ? CL CL A2020 >VAL~A 96 103.28 81.80 41.19 104.76 82.51 42.67 104.02 82.15 41.93 3 0 9.04 -999 ? CL CL A2020 >THR~A 97 100.83 84.52 39.91 101.55 86.37 38.97 101.19 85.45 39.44 2 0 9.81 -999 ? CL CL A2020 >PHE.A 98 94.73 84.25 40.94 92.04 83.71 40.47 93.38 83.98 40.70 3 0 12.32 -999 ? O1 GOL A3040 >LEU.A 99 96.68 83.55 35.29 98.87 83.52 34.86 97.77 83.53 35.08 3 0 15.49 -999 ? CL CL A2020 >GLY.A 100 92.24 84.14 36.91 92.61 83.48 36.62 92.42 83.81 36.76 1 0 15.80 -999 ? C1 GOL A3040 >PHE.A 101 88.47 81.56 37.13 88.90 80.34 39.61 88.69 80.95 38.37 3 0 16.29 -999 ? O1 GOL A3040 >ASP.A 102 88.23 80.63 30.72 87.92 80.82 28.67 88.07 80.73 29.69 2 0 25.18 -999 ? C1 GOL A3040 >ALA.A 103 85.79 84.63 30.26 86.09 85.81 29.49 85.94 85.22 29.87 2 0 23.54 -999 ? C1 GOL A3040 >ALA.A 104 83.99 82.31 27.78 84.56 81.91 26.40 84.27 82.11 27.09 2 0 27.75 -999 ? C1 GOL A3040 >THR.A 105 83.67 79.06 29.76 85.17 77.94 28.71 84.42 78.50 29.24 2 0 26.87 -999 ? O1 GOL A3040 >GLU~A 106 86.09 78.56 33.43 88.06 78.13 34.12 87.08 78.34 33.77 2 0 21.37 -999 ? O1 GOL A3040 >ALA~A 107 82.20 83.48 33.36 81.08 83.84 32.41 81.64 83.66 32.88 2 0 23.39 -999 ? C1 GOL A3040 >ARG~A 108 77.54 80.61 37.36 78.31 77.83 38.52 77.93 79.22 37.94 2 0 22.68 -999 ? O1 GOL A3040 >TYR~A 109 84.38 79.76 38.04 83.16 77.26 38.08 83.77 78.51 38.06 3 0 19.57 -999 ? O1 GOL A3040 >LEU~A 110 85.91 85.57 35.24 87.19 86.99 34.26 86.55 86.28 34.75 3 0 18.41 -999 ? C1 GOL A3040 >GLY~A 111 82.87 87.48 37.84 83.42 87.04 38.27 83.15 87.26 38.06 1 0 17.26 -999 ? C1 GOL A3040 >TYR~A 112 82.86 85.03 43.55 82.36 85.03 46.30 82.61 85.03 44.92 3 0 13.10 -999 ? O1 GOL A3040 >VAL~A 113 87.01 87.16 41.47 88.85 86.31 40.64 87.93 86.74 41.06 3 0 12.12 -999 ? C1 GOL A3040 >ARG~A 114 86.11 90.82 36.33 86.92 90.68 33.36 86.51 90.75 34.84 2 0 18.99 -999 ? O2 GOL A3040 >PHE~A 115 81.46 90.52 44.12 79.78 91.19 46.20 80.62 90.86 45.16 3 0 13.99 -999 ? C1 GOL A3040 >MET~A 116 85.89 90.02 45.61 84.62 87.86 47.65 85.26 88.94 46.63 2 0 -9.47 -999 ? C1 GOL A3040s >VAL~A 117 88.68 92.37 44.41 90.46 92.02 43.20 89.57 92.19 43.81 3 0 8.45 -999 ? O2 GOL A3040 >ASN~A 118 86.19 95.46 41.69 87.65 94.96 40.21 86.92 95.21 40.95 2 0 12.89 -999 ? O2 GOL A3040 >VAL~A 119 83.70 95.31 45.51 81.61 94.94 45.00 82.65 95.13 45.26 3 0 13.24 -999 ? C1 GOL A3040 >GLU.A 120 83.52 91.40 48.59 81.73 92.29 49.38 82.63 91.85 48.98 2 0 -11.73 -999 ? C1 GOL A3040s >GLY.A 121 88.39 94.99 48.45 88.29 94.18 48.53 88.34 94.59 48.49 1 0 7.05 -999 ? O2 GOL A3040 >ARG.A 122 89.32 88.48 50.81 89.57 85.85 52.38 89.45 87.16 51.59 2 0 -4.29 -999 ? O1 GOL A3040s >TYR.A 123 92.97 88.22 47.49 92.65 86.11 49.28 92.81 87.17 48.38 3 0 -4.01 -999 ? O1 GOL A3040s >THR.A 124 93.99 94.40 46.00 93.31 96.33 46.78 93.65 95.37 46.39 2 0 6.14 -999 ? O2 GOL A3040 >HIS.A 125 98.48 94.83 47.66 98.07 96.39 49.01 98.27 95.61 48.33 3 0 6.10 -999 ? O2 GOL A3040 >PHE.A 126 96.23 88.77 44.04 96.22 86.69 45.89 96.23 87.73 44.97 3 0 7.16 -999 ? C2 GOL A3040 >ASP.A 127 99.76 91.11 38.83 100.13 91.74 36.79 99.95 91.42 37.81 2 0 12.37 -999 ? CL CL A2020 >ALA.A 128 95.27 91.54 37.35 94.22 92.64 37.53 94.75 92.09 37.44 2 0 13.36 -999 ? O2 GOL A3040 >GLY.A 129 96.95 90.98 33.96 96.57 91.66 34.21 96.76 91.32 34.08 1 0 16.08 -999 ? CL CL A2020 >THR.A 130 95.95 92.77 30.75 97.32 91.97 29.31 96.63 92.37 30.03 2 0 20.26 -999 ? CL CL A2020 >HIS.A 131 92.67 90.69 28.54 93.68 90.74 26.70 93.18 90.71 27.62 3 0 23.28 -999 ? O2 GOL A3040 >GLY.A 132 91.45 91.87 34.64 91.64 91.15 34.23 91.54 91.51 34.44 1 0 16.45 -999 ? O2 GOL A3040 >PHE.A 133 92.07 88.82 38.07 93.36 90.07 40.24 92.71 89.44 39.15 3 0 12.04 -999 ? O2 GOL A3040 >ASN.A 134 89.85 87.69 31.14 89.29 86.47 29.46 89.57 87.08 30.30 2 0 22.60 -999 ? O2 GOL A3040 >ALA.A 135 92.96 83.99 31.70 93.11 82.79 32.66 93.03 83.39 32.18 2 0 20.01 -999 ? CL CL A2020 >GLN.A 136 92.28 85.63 27.52 93.54 86.80 26.19 92.91 86.21 26.86 2 0 24.47 -999 ? CL CL A2020 >THR.A 137 91.80 79.48 28.94 93.82 78.73 29.14 92.81 79.10 29.04 2 0 23.90 -999 ? CL CL A2020 >PRO.A 138 88.97 76.33 29.47 90.39 77.48 30.82 89.68 76.91 30.15 3 0 25.09 -999 ? O1 GOL A3040 >MET~A 139 91.75 77.04 34.91 94.38 78.19 33.71 93.06 77.61 34.31 2 0 20.48 -999 ? CL CL A2020 >TRP~A 140 86.86 73.43 38.30 85.96 75.78 41.27 86.41 74.60 39.78 3 0 19.71 -999 ? O1 GOL A3040 >GLU~A 141 89.05 70.31 35.51 89.11 68.84 33.95 89.08 69.58 34.73 2 0 27.05 -999 ? O1 GOL A3040 >LYS~A 142 94.05 73.09 37.15 99.40 72.43 37.04 96.72 72.76 37.10 2 0 20.36 -999 ? CL CL A2020 >TYR~A 143 92.99 77.44 39.76 93.75 79.76 38.42 93.37 78.60 39.09 3 0 16.38 -999 ? O1 GOL A3040 >GLN~A 144 89.55 71.95 40.89 88.93 73.36 42.34 89.24 72.65 41.62 2 0 18.34 -999 ? O3 GOL A3037 >ARG~A 145 94.33 67.29 39.79 97.00 65.79 39.32 95.66 66.54 39.56 2 0 24.46 -999 ? O3 GOL A3037 >MET~A 146 97.09 72.68 42.87 97.83 75.80 40.29 97.46 74.24 41.58 2 0 16.52 -999 ? CL CL A2020 >LEU~A 147 93.36 73.29 45.92 92.38 75.23 46.04 92.87 74.26 45.98 3 0 14.02 -999 ? O3 GOL A3037 >ASN~A 148 94.75 68.19 45.57 92.70 67.63 45.54 93.73 67.91 45.56 2 0 19.52 -999 ? O3 GOL A3037 >VAL~A 149 98.89 69.45 46.84 100.51 69.22 45.31 99.70 69.34 46.08 3 0 17.94 -999 ? O3 GOL A3037 >TRP~A 150 99.61 75.57 49.87 96.34 77.60 50.68 97.97 76.59 50.28 3 0 9.40 -999 ? O3 GOL A3037 >HIS~A 151 94.27 72.58 51.14 93.29 74.44 51.00 93.78 73.51 51.07 3 0 -11.70 -999 ? O3 GOL A3037s >ALA.A 152 98.69 68.26 51.81 98.95 67.24 50.70 98.82 67.75 51.26 2 0 17.62 -999 ? O2 GOL A3037 >CYH.A 153 101.61 70.42 52.87 102.62 71.46 50.52 102.11 70.94 51.69 2 0 14.43 -999 ? O2 GOL A3037 >PRO.A 154 104.15 69.52 56.20 102.06 70.10 55.92 103.11 69.81 56.06 3 0 14.62 -999 ? O2 GOL A3037 >ARG.A 155 105.02 75.56 59.01 104.52 78.07 60.78 104.77 76.82 59.89 2 0 9.00 -999 ? O2 GOL A3037 >GLN.A 156 98.62 74.73 53.93 96.56 74.69 54.22 97.59 74.71 54.08 2 0 -9.57 -999 ? O3 GOL A3037s >TYR.A 157 100.57 80.52 55.08 97.88 80.73 54.34 99.23 80.63 54.71 3 0 -3.90 -999 ? O2 GOL A3037s >HIS.A 158 106.32 81.43 56.18 105.60 83.26 56.91 105.96 82.34 56.55 3 0 6.53 -999 ? O1 GOL A3037 >LEU.A 159 105.70 76.86 50.52 103.64 76.30 50.58 104.67 76.58 50.55 3 0 11.33 -999 ? O1 GOL A3037 >SER~A 160 109.93 75.44 50.51 109.77 72.99 50.22 109.85 74.21 50.37 2 0 16.74 -999 ? O1 GOL A3037 >ALA~A 161 110.93 75.76 46.85 112.39 75.98 46.29 111.66 75.87 46.57 2 0 15.21 -999 ? CL CL A2020 >ASN~A 162 110.86 71.03 47.42 111.08 69.19 46.38 110.97 70.11 46.90 2 0 20.80 -999 ? CL CL A2020 >GLU~A 163 106.73 71.90 50.38 106.39 72.49 52.36 106.56 72.20 51.37 2 0 14.44 -999 ? O2 GOL A3037 >ILE~A 164 107.00 76.65 45.48 107.21 78.07 45.46 107.10 77.36 45.47 3 0 12.05 -999 ? CL CL A2020 >ASN~A 165 108.75 72.77 42.41 110.07 74.24 41.51 109.41 73.51 41.96 2 0 16.94 -999 ? CL CL A2020 >GLN~A 166 106.23 68.64 45.05 106.26 67.90 47.02 106.24 68.27 46.03 2 0 20.22 -999 ? O2 GOL A3037 >ILE~A 167 101.91 73.86 44.86 101.38 74.43 46.02 101.65 74.14 45.44 3 0 15.17 -999 ? CL CL A2020 >ILE~A 168 103.59 75.72 40.08 104.69 76.56 40.36 104.14 76.14 40.22 3 0 14.89 -999 ? CL CL A2020 >ASN~A 169 104.72 70.61 38.69 106.25 71.83 37.83 105.48 71.22 38.26 2 0 19.90 -999 ? CL CL A2020 >ALA.A 170 100.22 69.47 39.87 99.41 69.91 41.08 99.82 69.69 40.47 2 0 20.53 -999 ? O3 GOL A3037 >GLN.B 3 46.99 60.91 23.50 47.15 62.40 21.92 47.07 61.66 22.71 2 0 18.63 -999 ? C1 GOL B3003 >GLU.B 4 54.73 58.55 26.68 55.86 57.12 27.84 55.30 57.83 27.26 2 0 22.11 -999 ? C1 GOL B3003 >SER~B 5 54.79 62.28 24.47 56.36 64.17 24.25 55.57 63.23 24.36 2 0 14.49 -999 ? O3 GOL B3003 >THR~B 6 57.22 61.35 21.73 56.81 62.50 19.96 57.02 61.93 20.84 2 0 12.85 -999 ? C1 GOL B3003 >MET~B 7 59.93 62.88 23.94 59.96 67.13 24.18 59.94 65.01 24.06 2 0 12.00 -999 ? O3 GOL B3003 >GLU~B 8 58.16 61.18 28.15 56.55 61.04 29.52 57.36 61.11 28.84 2 0 20.28 -999 ? O3 GOL B3003 >MET~B 9 59.97 57.30 23.71 60.74 57.95 19.73 60.35 57.63 21.72 2 0 16.36 -999 ? C1 GOL B3003 >THR~B 10 62.51 54.62 24.40 61.49 52.82 24.89 62.00 53.72 24.64 2 0 21.45 -999 ? CL CL F2035 >ASN~B 11 67.09 53.72 23.05 68.24 55.42 23.61 67.66 54.57 23.33 2 0 20.64 -999 ? CL CL F2035 >ALA~B 12 64.15 50.93 20.91 63.49 49.77 21.63 63.82 50.35 21.27 2 0 19.19 -999 ? CL CL F2035 >GLN~B 13 59.28 52.63 21.27 58.00 53.39 22.77 58.64 53.01 22.02 2 0 -21.82 -999 ? C1 GOL B3003s >ARG~B 14 64.80 58.15 20.85 67.08 60.03 21.17 65.94 59.09 21.01 2 0 16.53 -999 ? O2 GOL B3003 >LEU~B 15 66.26 51.69 17.00 68.01 50.74 16.05 67.14 51.22 16.52 3 0 21.20 -999 ? CL CL F2035 >ILE~B 16 61.01 51.03 15.94 60.04 50.05 16.43 60.52 50.54 16.19 3 0 22.35 -999 ? C1 GOL B3003 >LEU~B 17 60.91 56.17 14.74 58.90 56.65 15.46 59.91 56.41 15.10 3 0 16.36 -999 ? C1 GOL B3003 >SER~B 18 64.62 55.65 12.39 66.99 55.80 12.17 65.80 55.72 12.28 2 0 18.28 -999 ? O2 GOL B3003 >ASN~B 19 64.37 50.97 10.93 66.09 50.23 11.96 65.23 50.60 11.44 2 0 23.26 -999 ? C1 GOL B3003 >GLN~B 20 59.07 52.46 10.73 57.15 52.98 11.57 58.11 52.72 11.15 2 0 -19.74 -999 ? C1 GOL B3003s >TYR~B 21 61.46 58.47 9.41 59.23 59.36 10.88 60.35 58.91 10.15 3 0 13.85 -999 ? C1 GOL B3003 >LYS~B 22 65.01 54.92 6.02 70.07 53.87 9.73 67.54 54.39 7.88 2 0 21.36 -999 ? O2 GOL B3003 >MET~B 23 62.51 52.49 4.49 61.53 48.93 6.43 62.02 50.71 5.46 2 0 24.45 -999 ? C1 GOL B3003 >MET~B 24 60.08 55.28 3.59 57.87 56.35 6.89 58.97 55.81 5.24 2 0 17.21 -999 ? C1 GOL B3003 >THR~B 25 62.90 57.03 1.60 64.66 58.25 2.10 63.78 57.64 1.85 2 0 18.37 -999 ? C1 GOL B3003 >MET~B 26 63.33 53.81 -0.36 65.34 50.92 1.80 64.34 52.37 0.72 2 0 24.79 -999 ? C1 GOL B3003 >LEU~B 27 58.69 52.86 0.25 58.40 50.77 0.83 58.55 51.82 0.54 3 0 23.92 -999 ? C1 GOL B3003 >ASP~B 28 57.70 57.51 -0.61 56.74 59.29 -1.16 57.22 58.40 -0.89 2 0 19.20 -999 ? C1 GOL B3003 >PRO.B 29 62.19 56.84 -4.04 61.27 58.42 -2.77 61.73 57.63 -3.41 3 0 21.87 -999 ? C1 GOL B3003 >ALA.B 30 59.83 62.01 -3.84 58.48 62.03 -4.51 59.15 62.02 -4.17 2 0 19.97 -999 ? O1 GOL B3003 >ASN~B 31 58.08 62.28 0.56 56.41 63.22 -0.34 57.25 62.75 0.11 2 0 16.07 -999 ? O1 GOL B3003 >ALA~B 32 62.97 61.73 1.02 64.08 61.35 0.06 63.53 61.54 0.54 2 0 17.30 -999 ? C1 GOL B3003 >GLU~B 33 63.47 67.77 1.76 63.37 69.16 0.19 63.42 68.46 0.97 2 0 13.27 -999 ? C1 GOL B3003 >ARG~B 34 57.05 65.77 3.59 55.99 68.39 2.44 56.52 67.08 3.02 2 0 11.02 -999 ? O1 GOL B3003 >TYR~B 35 60.35 59.88 4.36 57.88 59.60 3.08 59.11 59.74 3.72 3 0 15.50 -999 ? C1 GOL B3003 >ARG~B 36 67.49 62.18 2.86 67.75 61.06 -0.01 67.62 61.62 1.42 2 0 18.74 -999 ? O2 GOL B3003 >ARG~B 37 62.11 68.41 8.30 60.04 68.85 10.44 61.07 68.63 9.37 2 0 -4.23 -999 ? C1 GOL B3003s >LEU~B 38 61.09 62.51 10.22 59.15 63.47 10.29 60.12 62.99 10.25 3 0 9.82 -999 ? C1 GOL B3003 >GLN~B 39 66.55 58.82 9.91 67.73 58.30 8.20 67.14 58.56 9.06 2 0 16.79 -999 ? O2 GOL B3003 >THR~B 40 67.46 63.49 12.03 68.69 64.92 11.01 68.07 64.20 11.52 2 0 11.02 -999 ? O2 GOL B3003 >ILE~B 41 63.48 65.25 14.28 62.43 66.15 14.12 62.95 65.70 14.20 3 0 7.81 -999 ? O2 GOL B3003 >ILE~B 42 63.75 60.05 15.29 62.69 59.87 16.09 63.22 59.96 15.69 3 0 13.50 -999 ? C1 GOL B3003 >GLU~B 43 68.56 58.79 14.03 69.54 58.38 12.22 69.05 58.58 13.13 2 0 16.83 -999 ? O2 GOL B3003 >ARG~B 44 71.10 65.63 14.97 72.54 66.64 12.46 71.82 66.14 13.72 2 0 12.66 -999 ? O2 GOL B3003 >GLY~B 45 66.43 63.77 19.85 66.74 64.36 19.39 66.59 64.06 19.62 1 0 12.70 -999 ? O2 GOL B3003 >TYR~B 46 67.06 68.10 16.93 69.54 68.55 15.80 68.30 68.33 16.37 3 0 8.92 -999 ? O2 GOL B3003 >GLY~B 47 63.19 68.22 21.58 63.24 68.61 20.97 63.21 68.42 21.27 1 0 9.92 -999 ? O3 GOL B3003 >LEU~B 48 61.94 72.43 19.56 60.81 74.24 19.12 61.38 73.33 19.34 3 0 4.99 -999 ? O3 GOL B3003 >GLN~B 49 62.15 70.11 14.96 63.42 71.58 15.87 62.79 70.84 15.42 2 0 -3.84 -999 ? O2 GOL B3003s >MET~B 50 59.68 66.10 18.86 62.44 63.55 20.46 61.06 64.82 19.66 2 0 12.27 -999 ? C2 GOL B3003 >ARG~B 51 56.02 71.46 21.90 55.03 71.54 24.81 55.53 71.50 23.36 2 0 11.52 -999 ? O3 GOL B3003 >GLU~B 52 57.04 71.55 17.08 58.10 72.98 16.00 57.57 72.26 16.54 2 0 -2.63 -999 ? O3 GOL B3003s >LEU~B 53 56.28 64.60 16.50 57.68 63.94 14.98 56.98 64.27 15.74 3 0 9.28 -999 ? C1 GOL B3003 >ASP~B 54 53.08 65.82 20.87 54.46 64.71 21.90 53.77 65.26 21.39 2 0 13.29 -999 ? O3 GOL B3003 >ARG~B 55 50.06 69.68 20.36 47.07 69.49 19.37 48.56 69.59 19.86 2 0 -14.24 -999 ? O1 GOL B3003s >GLU.B 56 52.16 66.04 13.94 53.39 65.68 12.39 52.78 65.86 13.16 2 0 9.23 -999 ? C1 GOL B3003 >PHE.B 57 49.87 61.50 17.08 51.68 60.48 15.17 50.77 60.99 16.13 3 0 14.98 -999 ? C1 GOL B3003 >GLY.B 58 44.56 63.99 18.46 44.83 63.17 18.52 44.69 63.58 18.49 1 0 18.09 -999 ? O1 GOL B3003 >GLU.B 59 41.84 61.20 22.92 41.11 61.98 24.71 41.48 61.59 23.82 2 0 15.78 -999 ? O1 GOL B3024 >LEU.B 60 37.63 62.05 19.09 35.76 63.13 18.64 36.70 62.59 18.86 3 0 13.09 -999 ? O1 GOL B3024 >LYS~B 61 37.08 59.90 23.39 37.89 62.97 28.94 37.49 61.43 26.16 2 0 13.21 -999 ? O1 GOL B3024 >GLU~B 62 34.07 54.53 23.00 34.19 52.69 24.02 34.13 53.61 23.51 2 0 6.16 -999 ? O2 GOL B3017 >GLU~B 63 31.78 57.54 26.90 30.14 56.11 26.75 30.96 56.83 26.83 2 0 5.73 -999 ? C3 GOL B3024 >THR~B 64 32.17 61.57 22.45 33.36 63.36 22.67 32.77 62.47 22.56 2 0 8.71 -999 ? O1 GOL B3024 >CYH~B 65 32.21 59.48 19.26 34.91 58.72 18.74 33.56 59.10 19.00 2 0 10.39 -999 ? O3 GOL B3017 >ARG~B 66 29.84 54.47 22.57 30.43 51.70 21.39 30.13 53.08 21.98 2 0 -3.22 -999 ? C3 GOL B3017s >THR~B 67 27.39 60.76 21.45 27.39 62.11 23.11 27.39 61.44 22.28 2 0 -3.12 -999 ? O1 GOL B3024s >ILE~B 68 29.20 62.51 17.24 30.24 63.21 16.70 29.72 62.86 16.97 3 0 8.95 -999 ? O2 GOL B3024 >ILE~B 69 27.13 57.63 16.43 27.74 56.52 15.90 27.43 57.08 16.17 3 0 7.57 -999 ? O3 GOL B3024 >ASP~B 70 23.66 59.02 20.34 21.93 58.32 21.38 22.79 58.67 20.86 2 0 -3.24 -999 ? O2 GOL B3024s >ILE~B 71 23.66 63.79 17.71 24.15 65.02 18.10 23.91 64.41 17.90 3 0 7.00 -999 ? O2 GOL B3024 >MET~B 72 22.59 61.43 14.07 26.25 61.59 12.09 24.42 61.51 13.08 2 0 8.73 -999 ? O2 GOL B3023 >GLU~B 73 19.80 56.19 16.30 19.32 55.14 14.52 19.56 55.66 15.41 2 0 6.38 -999 ? O3 GOL B3023 >MET~B 74 18.10 60.82 16.99 17.98 64.00 19.73 18.04 62.41 18.36 2 0 8.15 -999 ? O2 GOL B3024 >TYR~B 75 18.67 65.14 13.86 18.80 67.67 14.99 18.73 66.41 14.43 3 0 10.15 -999 ? CL CL B2010 >HIS~B 76 17.08 57.14 11.39 16.06 55.49 10.59 16.57 56.31 10.99 3 0 4.58 -999 ? CL CL B2010s >ALA~B 77 14.35 58.87 14.63 14.64 58.71 16.11 14.50 58.79 15.37 2 0 8.79 -999 ? CL CL B2010 >LEU~B 78 13.56 63.70 14.70 13.73 64.69 16.62 13.65 64.19 15.66 3 0 9.89 -999 ? CL CL B2010 >HIS~B 79 13.46 62.96 8.26 12.78 63.30 6.30 13.12 63.13 7.28 3 0 5.08 -999 ? CL CL B2010 >VAL~B 80 11.18 58.98 10.24 11.78 56.84 10.20 11.48 57.91 10.22 3 0 5.84 -999 ? CL CL B2010 >SER~B 81 8.58 59.85 12.91 9.44 59.08 15.03 9.01 59.47 13.97 2 0 10.28 -999 ? CL CL B2010 >TRP~B 82 8.01 66.64 10.60 8.71 66.44 6.72 8.36 66.54 8.66 3 0 10.92 -999 ? CL CL B2010 >SER~B 83 7.70 61.77 7.67 8.73 59.61 7.20 8.22 60.69 7.43 2 0 7.75 -999 ? CL CL B2010 >ASN~B 84 5.47 57.99 9.65 6.63 56.79 8.31 6.05 57.39 8.98 2 0 10.19 -999 ? CL CL B2010 >LEU.B 85 3.26 63.31 11.28 3.75 63.44 13.40 3.51 63.37 12.34 3 0 14.41 -999 ? CL CL B2010 >GLN.B 86 -1.54 60.90 10.16 -0.79 61.03 12.18 -1.17 60.97 11.17 2 0 17.96 -999 ? CL CL B2010 >ASP.B 87 -2.00 67.23 10.89 -2.46 66.27 12.76 -2.23 66.75 11.82 2 0 20.83 -999 ? CL CL B2010 >GLN.B 88 3.82 66.29 8.70 5.24 66.49 7.13 4.53 66.39 7.92 2 0 13.33 -999 ? CL CL B2010 >GLN.B 89 0.00 69.59 14.95 0.01 67.48 15.27 0.00 68.54 15.11 2 0 19.94 -999 ? CL CL B2010 >SER.B 90 3.45 73.14 11.17 1.63 74.79 11.53 2.54 73.97 11.35 2 0 21.81 -999 ? CL CL B2010 >ILE.B 91 6.71 69.78 12.79 7.04 68.88 13.86 6.87 69.33 13.33 3 0 15.04 -999 ? CL CL B2010 >ASP~B 92 9.78 73.89 9.95 11.15 74.42 8.49 10.46 74.15 9.22 2 0 16.05 -999 ? CL CL B2010 >GLU~B 93 11.87 67.96 6.38 12.21 67.44 4.38 12.04 67.70 5.38 2 0 9.70 -999 ? CL CL B2010 >ARG~B 94 15.95 75.41 8.08 19.04 75.79 8.38 17.50 75.60 8.23 2 0 16.70 -999 ? CL CL B2010 >ARG~B 95 12.73 74.04 13.96 12.10 74.25 16.98 12.42 74.14 15.47 2 0 18.20 -999 ? CL CL B2010 >VAL~B 96 13.95 67.43 12.03 11.82 66.79 11.84 12.89 67.11 11.93 3 0 9.65 -999 ? CL CL B2010 >THR~B 97 17.05 67.62 9.77 17.03 68.13 7.64 17.04 67.88 8.71 2 0 8.84 -999 ? CL CL B2010 >PHE.B 98 22.68 65.92 11.87 25.22 66.01 13.02 23.95 65.97 12.45 3 0 11.15 -999 ? CL CL B2010 >LEU.B 99 21.93 71.67 10.80 20.15 72.56 9.78 21.04 72.11 10.29 3 0 13.87 -999 ? CL CL B2010 >GLY.B 100 25.80 69.23 11.98 25.39 69.78 12.33 25.59 69.51 12.15 1 0 14.32 -999 ? CL CL B2010 >PHE.B 101 28.89 69.07 15.24 27.85 67.09 16.93 28.37 68.08 16.08 3 0 11.70 -999 ? O2 GOL B3024 >ASP.B 102 30.49 75.29 14.98 31.30 77.16 14.42 30.89 76.23 14.70 2 0 20.31 -999 ? O1 GOL B3024 >ALA.B 103 33.80 74.43 11.81 33.98 74.86 10.44 33.89 74.65 11.12 2 0 22.01 -999 ? O1 GOL B3024 >ALA.B 104 35.44 77.09 14.09 35.00 78.49 14.28 35.22 77.79 14.19 2 0 22.75 -999 ? O1 GOL B3024 >THR.B 105 34.49 75.75 17.47 33.13 77.30 18.07 33.81 76.53 17.77 2 0 19.41 -999 ? O1 GOL B3024 >GLU~B 106 31.31 72.93 17.86 29.23 72.75 18.06 30.27 72.84 17.96 2 0 14.28 -999 ? O1 GOL B3024 >ALA~B 107 35.86 71.00 14.08 37.14 71.74 13.64 36.50 71.37 13.86 2 0 19.69 -999 ? O1 GOL B3024 >ARG~B 108 39.05 68.00 18.82 37.75 66.74 21.38 38.40 67.37 20.10 2 0 14.18 -999 ? O1 GOL B3024 >TYR~B 109 32.33 67.79 18.21 32.96 68.04 20.89 32.64 67.92 19.55 3 0 11.52 -999 ? O1 GOL B3024 >LEU~B 110 32.43 69.41 11.82 31.60 70.11 9.92 32.02 69.76 10.87 3 0 17.71 -999 ? O2 GOL B3024 >GLY~B 111 35.34 65.93 11.22 34.66 65.71 11.65 35.00 65.82 11.44 1 0 17.09 -999 ? O2 GOL B3023 >TYR~B 112 33.54 61.27 14.83 33.38 58.57 15.48 33.46 59.92 15.15 3 0 11.41 -999 ? O3 GOL B3017 >VAL~B 113 30.48 63.35 11.24 28.73 64.73 11.33 29.61 64.04 11.29 3 0 12.01 -999 ? O2 GOL B3023 >ARG~B 114 33.27 67.19 7.11 33.19 70.17 6.41 33.23 68.68 6.76 2 0 18.19 -999 ? O1 GOL B3023 >PHE~B 115 35.90 59.04 10.00 37.11 56.57 10.23 36.50 57.81 10.12 3 0 13.77 -999 ? O3 GOL B3017 >MET~B 116 31.13 58.47 9.70 31.50 56.94 12.42 31.32 57.70 11.06 2 0 9.76 -999 ? O3 GOL B3017 >VAL~B 117 29.36 59.48 6.45 27.80 60.95 6.12 28.58 60.21 6.28 3 0 7.38 -999 ? O1 GOL B3023 >ASN~B 118 33.03 60.93 3.68 31.91 62.70 3.48 32.47 61.81 3.58 2 0 11.46 -999 ? O1 GOL B3023 >VAL~B 119 34.41 56.92 5.13 36.44 57.17 5.94 35.43 57.04 5.53 3 0 11.62 -999 ? O1 GOL B3023 >GLU.B 120 33.11 55.06 9.52 34.74 53.67 9.43 33.93 54.36 9.48 2 0 -11.49 -999 ? O3 GOL B3017s >GLY.B 121 29.25 55.24 4.83 29.16 55.30 5.64 29.20 55.27 5.24 1 0 -5.20 -999 ? O1 GOL B3023s >ARG.B 122 26.34 54.66 11.25 25.32 53.82 13.99 25.83 54.24 12.62 2 0 -6.42 -999 ? O2 GOL B3023s >TYR.B 123 23.54 58.32 9.82 22.98 57.14 12.28 23.26 57.73 11.05 3 0 -4.36 -999 ? O2 GOL B3023s >THR.B 124 24.37 58.53 3.52 25.32 56.74 2.72 24.85 57.64 3.12 2 0 -3.48 -999 ? O1 GOL B3023s >HIS.B 125 19.73 57.29 2.23 19.89 55.80 0.75 19.81 56.55 1.49 3 0 5.37 -999 ? C1 GOL B3023 >PHE.B 126 21.47 62.05 7.82 20.63 60.88 10.19 21.05 61.47 9.01 3 0 5.27 -999 ? CL CL B2010 >ASP.B 127 19.74 66.97 3.53 20.01 68.79 2.38 19.88 67.88 2.95 2 0 11.35 -999 ? CL CL B2010 >ALA.B 128 24.45 67.55 4.22 25.71 67.00 3.59 25.08 67.28 3.91 2 0 12.65 -999 ? CL CL B2010 >GLY.B 129 23.38 70.92 2.96 23.93 70.32 2.60 23.66 70.62 2.78 1 0 14.26 -999 ? CL CL B2010 >THR.B 130 25.75 72.72 0.60 24.60 74.47 -0.06 25.17 73.59 0.27 2 0 18.79 -999 ? CL CL B2010 >HIS.B 131 28.04 75.38 3.45 27.81 77.14 2.33 27.93 76.26 2.89 3 0 20.97 -999 ? CL CL B2010 >GLY.B 132 28.89 69.23 4.26 28.61 69.82 4.74 28.75 69.53 4.50 1 0 15.54 -999 ? O1 GOL B3023 >PHE.B 133 26.93 66.94 7.65 25.54 64.87 6.51 26.24 65.90 7.08 3 0 11.79 -999 ? CL CL B2010 >ASN.B 134 30.08 73.64 8.08 31.06 75.15 9.33 30.57 74.39 8.70 2 0 21.61 -999 ? CL CL B2010 >ALA.B 135 26.30 74.37 10.83 25.77 73.85 12.21 26.04 74.11 11.52 2 0 17.88 -999 ? O2 GOL B3024 >GLN.B 136 27.30 78.09 8.89 27.76 78.94 6.96 27.53 78.52 7.93 2 0 22.65 -999 ? CL CL B2010 >THR.B 137 27.20 77.94 14.81 25.17 78.51 15.30 26.19 78.23 15.06 2 0 20.12 -999 ? O1 GOL B3024 >PRO.B 138 29.11 77.68 18.76 27.79 76.42 17.47 28.45 77.05 18.12 3 0 17.81 -999 ? O1 GOL B3024 >MET~B 139 25.47 72.93 18.17 23.13 73.93 16.06 24.30 73.43 17.12 2 0 15.81 -999 ? O2 GOL B3024 >TRP~B 140 28.64 69.61 23.75 29.26 66.08 22.13 28.95 67.85 22.94 3 0 8.05 -999 ? O1 GOL B3024 >GLU~B 141 26.68 73.50 25.50 26.49 75.15 26.91 26.58 74.33 26.21 2 0 14.29 -999 ? O1 GOL B3024 >LYS~B 142 21.85 72.06 22.17 16.34 73.26 20.39 19.09 72.66 21.28 2 0 15.72 -999 ? O2 GOL B3024 >TYR~B 143 23.25 68.41 18.58 23.33 69.19 15.92 23.29 68.80 17.25 3 0 10.77 -999 ? O2 GOL B3024 >GLN~B 144 25.23 67.97 25.00 25.82 66.20 23.96 25.53 67.09 24.48 2 0 5.36 -999 ? O1 GOL B3024 >ARG~B 145 19.64 71.23 27.64 22.06 69.48 28.42 20.85 70.36 28.03 2 0 9.64 -999 ? O1 GOL B3024 >MET~B 146 17.61 67.22 22.58 18.13 68.99 18.86 17.87 68.10 20.72 2 0 11.73 -999 ? O2 GOL B3024 >LEU~B 147 20.63 63.53 23.63 21.95 62.81 22.11 21.29 63.17 22.87 3 0 -4.33 -999 ? O2 GOL B3024s >ASN~B 148 18.41 65.45 28.07 17.76 65.23 30.07 18.08 65.34 29.07 2 0 9.53 -999 ? C1 GOL B3024 >VAL~B 149 14.44 64.67 26.07 13.22 66.43 25.65 13.83 65.55 25.86 3 0 10.31 -999 ? O3 GOL B3015 >TRP~B 150 14.34 60.39 20.70 17.67 58.57 19.72 16.01 59.48 20.21 3 0 6.74 -999 ? O3 GOL B3015 >HIS~B 151 18.48 59.01 25.15 19.77 58.54 23.56 19.12 58.77 24.35 3 0 -4.11 -999 ? O3 GOL B3015s >ALA~B 152 13.26 60.25 28.32 13.16 61.61 29.02 13.21 60.93 28.67 2 0 7.70 -999 ? O3 GOL B3015 >CYH~B 153 10.51 59.26 25.83 10.35 61.25 24.02 10.43 60.26 24.92 2 0 8.68 -999 ? O3 GOL B3015 >PRO.B 154 7.04 56.80 26.98 9.27 56.55 26.67 8.16 56.68 26.82 3 0 8.75 -999 ? O3 GOL B3015 >ARG.B 155 7.18 53.45 20.49 4.91 55.44 21.24 6.05 54.44 20.87 2 0 12.69 -999 ? O3 GOL B3015 >GLN.B 156 14.10 56.69 22.58 16.03 56.11 23.16 15.06 56.40 22.87 2 0 -2.70 -999 ? O3 GOL B3015s >TYR.B 157 13.23 54.49 17.04 16.01 54.48 17.30 14.62 54.48 17.17 3 0 7.53 -999 ? O1 GOL B3015 >HIS.B 158 7.56 53.89 15.18 8.49 52.54 13.87 8.03 53.22 14.52 3 0 12.55 -999 ? CL CL B2010 >LEU.B 159 8.42 60.44 18.12 10.32 60.25 19.11 9.37 60.35 18.62 3 0 11.27 -999 ? O3 GOL B3015 >SER~B 160 4.09 61.56 18.28 3.93 62.34 20.59 4.01 61.95 19.44 2 0 15.35 -999 ? O3 GOL B3015 >ALA~B 161 4.05 65.17 17.09 2.88 65.90 16.37 3.47 65.53 16.73 2 0 17.49 -999 ? CL CL B2010 >ASN~B 162 3.18 65.96 21.79 2.54 67.75 22.68 2.86 66.85 22.23 2 0 18.91 -999 ? O3 GOL B3015 >GLU~B 163 6.39 62.04 22.34 6.51 59.97 22.27 6.45 61.01 22.30 2 0 11.65 -999 ? O3 GOL B3015 >ILE~B 164 8.40 65.47 16.84 8.43 65.02 15.50 8.42 65.25 16.17 3 0 13.21 -999 ? CL CL B2010 >ASN~B 165 6.70 69.75 19.58 5.86 70.24 17.69 6.28 69.99 18.63 2 0 18.31 -999 ? CL CL B2010 >GLN~B 166 7.49 67.50 24.43 7.04 65.69 25.53 7.27 66.59 24.98 2 0 13.97 -999 ? O3 GOL B3015 >ILE~B 167 12.91 65.91 20.80 13.21 64.64 20.62 13.06 65.28 20.71 3 0 11.45 -999 ? O3 GOL B3015 >ILE~B 168 12.56 70.10 17.52 11.51 69.53 16.51 12.04 69.81 17.01 3 0 14.82 -999 ? CL CL B2010 >ASN~B 169 10.89 72.68 22.09 9.26 73.23 20.80 10.07 72.95 21.44 2 0 19.72 -999 ? O3 GOL B3015 >ALA~B 170 14.77 71.56 24.13 15.26 70.13 24.43 15.02 70.85 24.28 2 0 13.58 -999 ? O2 GOL B3024 >GLN.C 3 59.45 25.76 67.35 59.66 24.49 69.12 59.55 25.12 68.23 2 0 16.25 -999 ? CL CL C2006 >GLU.C 4 51.62 28.50 64.04 50.84 28.75 62.00 51.23 28.62 63.02 2 0 9.47 -999 ? CL CL C2006 >SER~C 5 51.78 26.75 68.40 50.20 26.88 70.40 50.99 26.81 69.40 2 0 14.92 -999 ? CL CL C2006 >THR~C 6 49.38 23.86 67.92 49.79 22.29 69.40 49.59 23.07 68.66 2 0 12.76 -999 ? CL CL C2006 >MET~C 7 46.68 26.34 69.12 47.01 27.48 73.19 46.84 26.91 71.15 2 0 17.93 -999 ? CL CL C2006 >GLU~C 8 48.33 30.34 66.47 50.23 31.23 66.45 49.28 30.78 66.46 2 0 14.15 -999 ? CL CL C2006 >MET~C 9 46.64 25.16 63.61 45.85 21.33 64.83 46.25 23.24 64.22 2 0 9.03 -999 ? CL CL C2006 >THR~C 10 44.06 25.31 60.87 45.17 25.45 59.04 44.61 25.38 59.95 2 0 6.83 -999 ? CL CL C2006 >ASN~C 11 39.48 23.73 60.48 38.53 24.80 62.04 39.01 24.27 61.26 2 0 13.02 -999 ? CL CL C2006 >ALA~C 12 42.35 21.12 57.98 42.95 21.58 56.63 42.65 21.35 57.30 2 0 6.84 -999 ? CL CL C2006 >GLN~C 13 47.22 21.82 59.50 48.49 23.45 59.91 47.85 22.63 59.70 2 0 -4.25 -999 ? CL CL C2006s >ARG~C 14 42.37 22.00 65.55 40.14 23.31 67.25 41.26 22.65 66.40 2 0 14.47 -999 ? CL CL C2006 >LEU~C 15 40.24 17.58 59.57 38.58 16.41 58.72 39.41 16.99 59.14 3 0 11.36 -999 ? CL CL C2006 >ILE~C 16 45.53 16.30 58.96 46.43 16.57 57.94 45.98 16.44 58.45 3 0 6.16 -999 ? CL CL C2006 >LEU~C 17 45.71 16.05 64.36 47.67 16.87 64.66 46.69 16.46 64.51 3 0 9.26 -999 ? CL CL C2004 >SER~C 18 41.92 13.70 64.23 39.57 13.53 64.47 40.75 13.61 64.35 2 0 11.77 -999 ? CL CL C2004 >ASN~C 19 42.15 11.55 59.90 40.37 12.31 59.05 41.26 11.93 59.47 2 0 8.68 -999 ? CL CL C2004 >GLN~C 20 47.42 11.47 61.46 49.34 12.33 61.75 48.38 11.90 61.61 2 0 -4.43 -999 ? CL CL C2004s >TYR~C 21 45.13 11.15 67.52 47.31 12.70 68.21 46.22 11.93 67.86 3 0 10.49 -999 ? CL CL C2004 >LYS~C 22 41.54 7.20 64.53 36.41 10.79 63.02 38.98 9.00 63.77 2 0 13.40 -999 ? CL CL C2004 >MET~C 23 44.03 5.30 62.37 45.21 6.54 58.59 44.62 5.92 60.48 2 0 5.32 -999 ? CL CL C2004 >MET~C 24 46.36 4.92 65.32 48.61 8.36 65.86 47.49 6.64 65.59 2 0 8.34 -999 ? CL CL C2004 >THR~C 25 43.51 3.31 67.24 41.79 4.10 68.28 42.65 3.70 67.76 2 0 14.08 -999 ? CL CL C2004 >MET~C 26 42.95 0.90 64.33 41.11 2.70 61.08 42.03 1.80 62.71 2 0 11.35 -999 ? CL CL C2004 >LEU~C 27 47.70 0.98 63.58 48.14 1.39 61.49 47.92 1.18 62.53 3 0 10.42 -999 ? CL CL C2004 >ASP~C 28 48.49 0.93 68.23 49.38 0.74 70.13 48.94 0.83 69.18 2 0 15.70 -999 ? CL CL C2004 >PRO.C 29 44.09 -2.86 68.54 44.62 -0.80 69.32 44.35 -1.83 68.93 3 0 17.14 -999 ? CL CL C2004 >ALA.C 30 45.81 -1.40 73.04 47.12 -2.15 73.23 46.47 -1.77 73.13 2 0 19.98 -999 ? CL CL C2004 >ASN~C 31 47.83 2.95 72.82 49.52 2.14 73.82 48.68 2.55 73.32 2 0 18.06 -999 ? CL CL C2004 >ALA~C 32 42.95 3.42 72.24 41.78 2.52 72.04 42.37 2.97 72.14 2 0 17.73 -999 ? CL CL C2004 >GLU~C 33 42.54 5.71 78.02 42.76 4.46 79.70 42.65 5.08 78.86 2 0 23.49 -999 ? CL CL C2004 >ARG~C 34 49.42 6.75 74.39 49.90 6.28 77.46 49.66 6.52 75.92 2 0 20.14 -999 ? CL CL C2004 >TYR~C 35 45.94 6.51 69.90 48.30 5.07 69.65 47.12 5.79 69.77 3 0 12.95 -999 ? CL CL C2004 >ARG~C 36 37.77 8.89 71.79 36.83 11.19 70.06 37.30 10.04 70.92 2 0 17.12 -999 ? CL CL C2004 >ARG~C 37 44.35 12.06 77.77 46.44 14.26 77.62 45.39 13.16 77.70 2 0 -20.33 -999 ? CL CL C2004s >LEU~C 38 45.58 12.82 71.48 47.51 12.90 72.43 46.54 12.86 71.95 3 0 14.54 -999 ? CL CL C2004 >GLN~C 39 39.90 12.11 67.97 38.59 10.41 67.63 39.25 11.26 67.80 2 0 14.14 -999 ? CL CL C2004 >THR~C 40 39.23 14.98 72.01 38.03 14.34 73.69 38.63 14.66 72.85 2 0 19.57 -999 ? CL CL C2004 >ILE~C 41 43.19 17.37 73.39 44.27 17.44 74.31 43.73 17.40 73.85 3 0 18.21 -999 ? CL CL C2004 >ILE~C 42 43.04 17.48 68.11 44.20 18.19 67.61 43.62 17.83 67.86 3 0 13.11 -999 ? CL CL C2006 >GLU~C 43 38.06 16.03 67.09 37.03 14.19 67.14 37.55 15.11 67.12 2 0 15.46 -999 ? CL CL C2004 >ARG~C 44 35.63 18.34 73.64 34.17 16.13 75.21 34.90 17.24 74.42 2 0 23.41 -999 ? CL CL C2004 >GLY~C 45 40.48 22.75 70.83 40.13 22.40 71.51 40.30 22.57 71.17 1 0 17.00 -999 ? CL CL C2006 >TYR~C 46 39.80 20.72 75.72 37.28 19.75 76.34 38.54 20.24 76.03 3 0 20.96 -999 ? O3 GOL D3005 >GLY~C 47 43.81 25.26 74.77 43.75 24.69 75.30 43.78 24.98 75.03 1 0 18.58 -999 ? O3 GOL D3005 >LEU~C 48 44.89 24.06 79.29 45.99 24.02 81.17 45.44 24.04 80.23 3 0 13.79 -999 ? O3 GOL D3005 >GLN~C 49 44.73 18.97 77.96 43.48 20.16 79.23 44.10 19.56 78.59 2 0 -17.03 -999 ? O3 GOL D3005s >MET~C 50 47.20 22.07 73.34 44.31 23.15 70.67 45.76 22.61 72.01 2 0 15.15 -999 ? CL CL C2006 >ARG~C 51 50.80 26.41 78.15 53.63 27.50 78.75 52.21 26.96 78.45 2 0 15.50 -999 ? O3 GOL D3005 >GLU~C 52 49.96 20.70 78.97 48.54 19.65 80.10 49.25 20.18 79.54 2 0 -16.46 -999 ? O3 GOL D3005s >LEU~C 53 50.41 19.39 72.18 49.13 17.72 71.86 49.77 18.55 72.02 3 0 15.50 -999 ? CL CL C2006 >ASP~C 54 53.32 23.86 72.39 51.93 24.66 71.07 52.63 24.26 71.73 2 0 14.99 -999 ? CL CL C2006 >ARG~C 55 55.97 24.40 76.93 55.45 26.29 74.49 55.71 25.34 75.71 2 0 19.41 -999 ? CL CL C2006 >GLU~C 56 54.66 16.88 74.36 53.19 15.44 73.98 53.93 16.16 74.17 2 0 17.52 -999 ? CL CL C2004 >PHE.C 57 56.70 19.28 69.10 55.05 17.17 68.35 55.87 18.22 68.73 3 0 13.76 -999 ? CL CL C2006 >GLY.C 58 61.95 21.22 71.14 61.69 21.11 70.36 61.82 21.17 70.75 1 0 18.89 -999 ? CL CL C2006 >GLU.C 59 64.70 25.06 67.52 64.51 27.14 67.22 64.60 26.10 67.37 2 0 17.71 -999 ? C3 GOL C3021 >LEU.C 60 68.97 21.43 69.06 70.85 21.29 70.23 69.91 21.36 69.64 3 0 15.24 -999 ? O3 GOL C3021 >LYS~C 61 69.46 25.25 66.14 70.83 29.06 67.88 70.14 27.15 67.01 2 0 16.19 -999 ? O3 GOL C3021 >GLU~C 62 72.25 23.75 60.88 72.37 24.62 58.95 72.31 24.19 59.92 2 0 6.84 -999 ? O3 GOL C3021 >GLU~C 63 74.66 28.22 62.99 76.28 27.57 61.69 75.47 27.90 62.34 2 0 10.01 -999 ? O3 GOL C3021 >THR~C 64 74.38 24.70 67.82 73.20 25.34 69.51 73.79 25.02 68.67 2 0 15.20 -999 ? O3 GOL C3021 >CYH~C 65 74.30 21.08 66.49 71.59 20.50 65.89 72.94 20.79 66.19 2 0 11.06 -999 ? O3 GOL C3021 >ARG~C 66 76.71 23.22 60.80 75.90 21.54 58.34 76.31 22.38 59.57 2 0 3.32 -999 ? O3 GOL C3021s >THR~C 67 79.21 23.47 67.21 79.25 25.46 68.14 79.23 24.46 67.67 2 0 -9.97 -999 ? O1 GOL C3036s >ILE~C 68 77.27 19.67 69.77 76.29 19.40 70.64 76.78 19.54 70.20 3 0 12.97 -999 ? O1 GOL C3036 >ILE~C 69 79.26 18.02 65.09 78.61 17.24 64.07 78.94 17.63 64.58 3 0 9.12 -999 ? O1 GOL C3036 >ASP~C 70 82.81 22.02 65.69 84.52 22.80 64.66 83.66 22.41 65.17 2 0 3.38 -999 ? O1 GOL C3036s >ILE~C 71 82.90 20.56 70.88 82.49 21.25 71.98 82.70 20.91 71.43 3 0 10.34 -999 ? O1 GOL C3036 >MET~C 72 83.84 16.46 69.36 80.23 14.48 69.97 82.04 15.47 69.67 2 0 11.12 -999 ? CL CL C2011 >GLU~C 73 86.57 17.41 63.72 86.98 15.43 63.06 86.78 16.42 63.39 2 0 6.99 -999 ? O1 GOL C3036 >MET~C 74 88.30 19.06 68.03 88.63 22.36 70.58 88.46 20.71 69.31 2 0 9.05 -999 ? O1 GOL C3036 >TYR~C 75 87.86 16.77 72.91 87.86 18.43 75.14 87.86 17.60 74.03 3 0 10.50 -999 ? CL CL C2011 >HIS~C 76 89.28 12.80 65.47 90.23 11.67 63.98 89.75 12.24 64.72 3 0 -4.98 -999 ? CL CL C2011s >ALA~C 77 92.17 16.11 66.53 91.99 17.53 65.96 92.08 16.82 66.24 2 0 8.49 -999 ? O1 GOL C3036 >LEU~C 78 92.89 17.28 71.17 92.81 19.37 71.77 92.85 18.32 71.47 3 0 10.36 -999 ? CL CL C2011 >HIS~C 79 92.85 10.89 71.99 93.43 9.18 73.06 93.14 10.04 72.52 3 0 -4.32 -999 ? CL CL C2021s >VAL~C 80 95.17 11.84 67.49 94.46 11.27 65.48 94.82 11.55 66.48 3 0 4.09 -999 ? CL CL C2021 >SER~C 81 97.80 14.60 67.87 97.00 16.56 66.71 97.40 15.58 67.29 2 0 9.13 -999 ? CL CL C2021 >TRP~C 82 98.75 13.72 74.76 97.71 10.01 75.57 98.23 11.86 75.17 3 0 8.71 -999 ? CL CL C2021 >SER~C 83 99.03 9.95 70.83 97.44 9.06 69.22 98.24 9.50 70.03 2 0 3.84 -999 ? CL CL C2021 >ASN~C 84 100.78 11.44 66.55 99.89 10.02 65.23 100.34 10.73 65.89 2 0 7.25 -999 ? CL CL C2021 >LEU.C 85 103.29 13.76 71.25 102.57 15.79 71.51 102.93 14.78 71.38 3 0 11.54 -999 ? CL CL C2031 >GLN.C 86 109.33 10.56 68.65 110.91 11.20 67.35 110.12 10.88 68.00 2 0 16.41 -999 ? CL CL C2031 >ASP.C 87 108.47 14.94 72.65 106.83 16.00 71.77 107.65 15.47 72.21 2 0 10.94 -999 ? CL CL C2031 >GLN.C 88 106.81 11.27 76.94 105.65 9.68 76.15 106.23 10.47 76.54 2 0 14.15 -999 ? CL CL C2021 >GLN.C 89 106.25 17.89 75.27 106.83 19.86 74.64 106.54 18.87 74.95 2 0 9.30 -999 ? CL CL C2031 >SER.C 90 103.57 14.83 80.10 105.47 14.40 81.53 104.52 14.61 80.81 2 0 17.61 -999 ? CL CL C2031 >ILE.C 91 99.80 16.42 77.35 99.57 17.29 76.40 99.69 16.86 76.87 3 0 13.05 -999 ? CL CL C2031 >ASP~C 92 96.74 14.44 81.93 95.51 12.97 82.84 96.12 13.71 82.38 2 0 15.08 -999 ? CL CL C2021 >GLU~C 93 94.51 9.91 76.89 94.48 7.78 76.63 94.49 8.85 76.76 2 0 8.05 -999 ? CL CL C2021 >ARG~C 94 90.04 13.41 83.93 87.43 14.95 84.75 88.74 14.18 84.34 2 0 17.54 -999 ? CL CL C2011 >ARG~C 95 94.96 18.62 81.47 95.21 21.64 80.86 95.09 20.13 81.16 2 0 15.71 -999 ? CL CL C2031 >VAL~C 96 92.79 15.47 75.54 94.53 14.67 74.28 93.66 15.07 74.91 3 0 9.27 -999 ? CL CL C2021 >THR~C 97 89.54 13.43 76.06 89.56 11.35 76.91 89.55 12.39 76.48 2 0 8.81 -999 ? CL CL C2011 >PHE.C 98 83.86 15.19 74.07 81.38 16.44 74.03 82.62 15.82 74.05 3 0 11.39 -999 ? CL CL C2011 >LEU.C 99 84.64 15.71 79.79 86.53 15.48 80.91 85.58 15.59 80.35 3 0 14.27 -999 ? CL CL C2011 >GLY.C 100 80.63 15.92 77.56 81.07 16.49 77.86 80.85 16.20 77.71 1 0 14.66 -999 ? CL CL C2011 >PHE.C 101 77.63 19.27 76.58 78.76 20.45 74.32 78.19 19.86 75.45 3 0 16.02 -999 ? O1 GOL C3036 >ASP.C 102 76.25 20.52 82.74 75.40 20.56 84.65 75.83 20.54 83.70 2 0 24.57 -999 ? CL CL C2011 >ALA.C 103 72.83 17.21 82.55 72.76 16.04 83.42 72.80 16.63 82.99 2 0 23.74 -999 ? CL CL C2011 >ALA.C 104 71.27 19.91 84.79 71.83 20.32 86.13 71.55 20.12 85.46 2 0 27.63 -999 ? CL CL C2011 >THR.C 105 71.93 23.03 82.69 73.30 24.19 83.92 72.62 23.61 83.31 2 0 24.85 -999 ? O2 GOL H3025 >GLU~C 106 75.34 22.76 79.72 77.40 22.80 79.51 76.37 22.78 79.62 2 0 19.79 -999 ? O1 GOL C3036 >ALA~C 107 70.53 18.97 78.69 69.18 18.83 79.43 69.85 18.90 79.06 2 0 24.66 -999 ? O3 GOL C3021 >ARG~C 108 67.42 22.77 74.41 69.21 25.29 74.04 68.32 24.03 74.22 2 0 20.30 -999 ? O3 GOL C3021 >TYR~C 109 74.32 21.96 74.78 73.58 24.65 74.54 73.95 23.30 74.66 3 0 17.83 -999 ? O1 GOL C3036 >LEU~C 110 74.12 15.92 77.70 74.61 14.19 78.82 74.36 15.06 78.26 3 0 19.25 -999 ? CL CL C2011 >GLY~C 111 71.22 14.69 74.44 71.92 15.02 74.16 71.57 14.86 74.30 1 0 19.93 -999 ? O3 GOL C3021 >TYR~C 112 72.92 17.11 69.08 73.05 17.20 66.28 72.98 17.15 67.68 3 0 12.57 -999 ? O3 GOL C3021 >VAL~C 113 76.03 14.06 71.86 77.77 14.49 73.12 76.90 14.28 72.49 3 0 14.48 -999 ? CL CL C2011 >ARG~C 114 73.29 10.73 76.57 73.51 10.59 79.63 73.40 10.66 78.10 2 0 19.78 -999 ? CL CL C2011 >PHE~C 115 70.61 11.98 67.86 69.39 11.70 65.40 70.00 11.84 66.63 3 0 14.60 -999 ? O3 GOL C3021 >MET~C 116 75.29 11.56 67.50 74.90 13.88 65.33 75.10 12.72 66.42 2 0 11.28 -999 ? O3 GOL C3021 >VAL~C 117 77.06 8.59 69.17 78.59 8.56 70.76 77.82 8.57 69.96 3 0 12.02 -999 ? CL CL C2011 >ASN~C 118 73.44 6.07 71.04 74.54 6.27 72.84 73.99 6.17 71.94 2 0 16.04 -999 ? CL CL C2011 >VAL~C 119 71.94 6.77 66.91 69.92 7.59 67.05 70.93 7.18 66.98 3 0 17.48 -999 ? O3 GOL C3021 >GLU.C 120 73.42 10.71 63.99 71.68 10.30 62.88 72.55 10.50 63.44 2 0 -12.41 -999 ? C3 GOL C3021s >GLY.C 121 77.11 6.14 65.07 77.19 6.93 64.98 77.15 6.53 65.03 1 0 13.36 -999 ? CL CL C2011 >ARG.C 122 80.03 12.35 63.23 81.23 14.78 61.83 80.63 13.56 62.53 2 0 -9.05 -999 ? O1 GOL C3036s >TYR.C 123 82.73 11.63 67.15 83.32 13.82 65.52 83.03 12.72 66.33 3 0 -8.00 -999 ? CL CL C2011s >THR.C 124 81.94 5.54 68.73 80.91 4.38 67.14 81.43 4.96 67.93 2 0 10.01 -999 ? CL CL C2011 >HIS.C 125 86.57 4.11 67.63 86.24 2.65 66.14 86.40 3.38 66.89 3 0 6.65 -999 ? CL CL C2011 >PHE.C 126 85.04 10.46 71.21 85.83 12.57 69.53 85.43 11.52 70.37 3 0 5.38 -999 ? CL CL C2011 >ASP.C 127 86.95 7.50 76.71 86.89 6.71 78.70 86.92 7.11 77.70 2 0 10.87 -999 ? CL CL C2011 >ALA.C 128 82.17 7.76 77.14 80.94 6.87 76.93 81.56 7.32 77.04 2 0 12.39 -999 ? CL CL C2011 >GLY.C 129 81.78 8.76 80.79 81.72 8.03 80.50 81.75 8.40 80.65 1 0 14.69 -999 ? CL CL C2011 >THR.C 130 81.06 6.76 83.86 82.05 7.53 85.66 81.55 7.14 84.76 2 0 18.91 -999 ? CL CL C2011 >HIS.C 131 77.67 9.26 85.52 77.97 8.68 87.52 77.82 8.97 86.52 3 0 21.65 -999 ? CL CL C2011 >GLY.C 132 77.75 8.57 79.24 77.97 9.20 79.71 77.86 8.89 79.47 1 0 16.13 -999 ? CL CL C2011 >PHE.C 133 79.64 11.37 76.08 81.06 9.81 74.24 80.35 10.59 75.16 3 0 11.67 -999 ? CL CL C2011 >ASN.C 134 76.46 13.23 82.50 75.64 14.68 83.88 76.05 13.95 83.19 2 0 21.68 -999 ? CL CL C2011 >ALA.C 135 80.29 16.27 82.51 80.76 17.49 81.72 80.52 16.88 82.11 2 0 18.18 -999 ? CL CL C2011 >GLN.C 136 78.14 15.31 86.73 79.08 13.76 87.87 78.61 14.54 87.30 2 0 22.68 -999 ? CL CL C2011 >THR.C 137 80.17 20.99 85.26 82.15 21.59 85.88 81.16 21.29 85.57 2 0 22.85 -999 ? CL CL C2011 >PRO.C 138 77.72 24.46 84.40 78.96 23.06 83.25 78.34 23.76 83.83 3 0 23.43 -999 ? O1 GOL C3036 >MET~C 139 81.14 23.18 79.62 83.26 21.43 81.18 82.20 22.30 80.40 2 0 18.99 -999 ? CL CL C2011 >TRP~C 140 78.11 27.78 75.21 77.27 25.39 72.20 77.69 26.59 73.71 3 0 15.28 -999 ? O1 GOL C3036 >GLU~C 141 80.37 30.30 78.61 80.09 31.65 80.29 80.23 30.98 79.45 2 0 19.53 -999 ? O2 GOL H3025 >LYS~C 142 84.87 26.44 78.04 89.10 24.68 78.66 86.99 25.56 78.35 2 0 17.22 -999 ? O1 GOL C3036 >TYR~C 143 83.34 22.31 75.20 83.28 19.92 76.54 83.31 21.11 75.87 3 0 14.40 -999 ? O1 GOL C3036 >GLN~C 144 81.50 28.39 73.43 80.87 26.87 72.03 81.18 27.63 72.73 2 0 12.42 -999 ? O1 GOL C3036 >ARG~C 145 85.99 31.07 76.22 83.80 32.01 74.28 84.90 31.54 75.25 2 0 15.99 -999 ? O1 GOL C3036 >MET~C 146 89.09 25.87 73.15 88.52 22.70 75.72 88.81 24.29 74.44 2 0 14.07 -999 ? O1 GOL C3036 >LEU~C 147 86.00 26.14 69.37 84.63 24.50 69.02 85.31 25.32 69.20 3 0 8.02 -999 ? O1 GOL C3036 >ASN~C 148 88.30 30.82 70.17 86.43 31.75 69.70 87.37 31.29 69.94 2 0 11.79 -999 ? O3 GOL C3036 >VAL~C 149 92.21 28.59 69.84 93.48 28.54 71.69 92.84 28.57 70.76 3 0 11.39 -999 ? CL CL C2031 >TRP~C 150 92.29 22.45 66.79 88.93 21.17 65.17 90.61 21.81 65.98 3 0 6.00 -999 ? O1 GOL C3036 >HIS~C 151 88.24 26.50 64.44 86.75 25.04 64.52 87.49 25.77 64.48 3 0 -4.28 -999 ? C2 GOL C3036s >ALA.C 152 93.38 29.78 65.01 93.53 30.73 66.16 93.45 30.25 65.58 2 0 9.06 -999 ? O3 GOL C3036 >CYH.C 153 96.07 27.08 64.55 96.20 25.81 66.95 96.13 26.44 65.75 2 0 7.56 -999 ? CL CL C2031 >PRO.C 154 99.33 27.31 61.56 97.13 27.16 61.65 98.23 27.23 61.61 3 0 8.72 -999 ? CL CL C2031 >ARG.C 155 100.04 20.62 60.58 101.89 22.90 59.46 100.96 21.76 60.02 2 0 9.50 -999 ? CL CL C2031 >GLN.C 156 92.34 23.45 62.68 90.44 23.91 61.88 91.39 23.68 62.28 2 0 -2.71 -999 ? C3 GOL C3036s >TYR.C 157 93.23 17.43 61.74 90.40 17.73 61.84 91.81 17.58 61.79 3 0 7.25 -999 ? O1 GOL C3036 >HIS.C 158 98.99 15.14 61.83 98.04 13.53 60.88 98.51 14.33 61.35 3 0 10.62 -999 ? CL CL C2021 >LEU.C 159 98.02 19.71 67.34 96.17 20.81 66.94 97.10 20.26 67.14 3 0 8.70 -999 ? CL CL C2031 >SER~C 160 102.36 20.01 68.34 102.75 22.38 68.70 102.55 21.19 68.52 2 0 -3.63 -999 ? CL CL C2031s >ALA~C 161 102.47 19.79 72.11 103.63 19.17 72.90 103.05 19.48 72.50 2 0 8.13 -999 ? CL CL C2031 >ASN~C 162 103.70 24.43 71.40 105.80 24.17 71.94 104.75 24.30 71.67 2 0 -4.56 -999 ? CL CL C2031s >GLU~C 163 100.18 24.25 67.88 99.96 23.77 65.85 100.07 24.01 66.86 2 0 4.89 -999 ? CL CL C2031 >ILE~C 164 98.28 19.63 72.43 98.13 18.18 72.33 98.20 18.90 72.38 3 0 9.74 -999 ? CL CL C2031 >ASN~C 165 100.01 23.07 75.97 100.77 21.38 76.99 100.39 22.22 76.48 2 0 10.20 -999 ? CL CL C2031 >GLN~C 166 99.43 27.39 72.68 100.38 27.44 70.70 99.91 27.41 71.69 2 0 4.34 -999 ? CL CL C2031 >ILE~C 167 93.88 23.53 72.14 93.47 23.11 70.89 93.67 23.32 71.52 3 0 10.78 -999 ? CL CL C2031 >ILE~C 168 93.98 21.37 76.92 94.95 20.22 76.68 94.46 20.80 76.80 3 0 13.50 -999 ? CL CL C2031 >ASN~C 169 95.89 26.30 78.61 97.43 24.97 79.31 96.66 25.64 78.96 2 0 12.67 -999 ? CL CL C2031 >ALA~C 170 92.00 28.21 77.10 91.54 28.20 75.65 91.77 28.20 76.38 2 0 14.35 -999 ? CL CL C2031 >GLN.D 3 40.42 47.66 81.61 38.75 46.94 82.74 39.59 47.30 82.18 2 0 15.68 -999 ? CL CL D2008 >GLU.D 4 47.42 48.67 79.11 48.78 50.16 78.53 48.10 49.41 78.82 2 0 10.36 -999 ? CL CL D2008 >SER~D 5 46.52 45.25 82.03 47.46 42.99 82.44 46.99 44.12 82.23 2 0 14.61 -999 ? O1 GOL D3005 >THR~D 6 48.50 45.78 85.24 47.45 44.77 86.88 47.98 45.27 86.06 2 0 12.61 -999 ? O1 GOL D3005 >MET~D 7 51.29 43.63 83.68 50.30 39.49 83.22 50.79 41.56 83.45 2 0 12.32 -999 ? C3 GOL D3005 >GLU~D 8 51.06 45.29 79.18 49.57 45.21 77.73 50.31 45.25 78.46 2 0 14.61 -999 ? CL CL D2008 >MET~D 9 52.35 49.28 83.80 52.04 48.75 87.88 52.19 49.01 85.84 2 0 8.99 -999 ? CL CL D2008 >THR~D 10 55.46 51.39 83.70 54.72 53.31 83.07 55.09 52.35 83.38 2 0 6.75 -999 ? CL CL D2008 >ASN~D 11 59.63 51.24 86.13 60.38 49.29 85.64 60.00 50.26 85.89 2 0 12.70 -999 ? O3 GOL H3025 >ALA~D 12 56.93 54.74 87.59 56.69 56.03 86.78 56.81 55.39 87.18 2 0 6.79 -999 ? CL CL D2008 >GLN~D 13 51.97 53.94 86.22 51.03 53.47 84.39 51.50 53.71 85.30 2 0 -4.23 -999 ? CL CL D2008s >ARG~D 14 55.60 47.14 88.58 57.38 44.84 87.47 56.49 45.99 88.02 2 0 14.52 -999 ? CL CL D2008 >LEU~D 15 57.94 53.61 91.77 59.57 54.38 92.96 58.75 53.99 92.37 3 0 11.29 -999 ? CL CL D2008 >ILE~D 16 52.80 55.37 91.68 52.21 56.50 91.03 52.51 55.94 91.35 3 0 6.09 -999 ? CL CL D2008 >LEU~D 17 51.40 50.43 92.86 49.50 50.22 91.72 50.45 50.32 92.29 3 0 9.29 -999 ? CL CL H2005 >SER~D 18 54.66 50.25 95.98 56.94 49.72 96.72 55.80 49.99 96.35 2 0 11.82 -999 ? CL CL H2005 >ASN~D 19 54.92 54.97 97.12 56.98 55.32 96.56 55.95 55.15 96.84 2 0 8.55 -999 ? CL CL H2005 >GLN~D 20 49.70 54.54 96.39 47.89 54.38 95.23 48.80 54.46 95.81 2 0 -4.47 -999 ? CL CL H2005s >TYR~D 21 50.45 48.27 98.24 48.40 47.71 96.43 49.43 47.99 97.34 3 0 10.58 -999 ? CL CL H2005 >LYS~D 22 53.93 51.31 102.22 59.63 51.16 99.48 56.78 51.23 100.85 2 0 13.25 -999 ? CL CL H2005 >MET~D 23 51.64 54.25 103.18 51.79 57.75 101.00 51.71 56.00 102.09 2 0 5.39 -999 ? CL CL H2005 >MET~D 24 48.62 52.04 103.73 46.94 51.20 99.98 47.78 51.62 101.86 2 0 8.41 -999 ? CL CL H2005 >THR~D 25 50.68 49.91 106.11 52.11 48.30 105.88 51.39 49.11 106.00 2 0 14.25 -999 ? CL CL H2005 >MET~D 26 51.58 53.07 108.07 54.31 55.40 106.13 52.95 54.23 107.10 2 0 11.47 -999 ? CL CL H2005 >LEU~D 27 47.20 54.77 106.88 47.34 56.77 106.07 47.27 55.77 106.47 3 0 10.57 -999 ? CL CL H2005 >ASP~D 28 45.36 50.43 107.49 43.88 48.98 107.89 44.62 49.70 107.69 2 0 15.80 -999 ? CL CL H2005 >PRO.D 29 48.78 50.00 112.06 48.36 48.95 110.16 48.57 49.47 111.11 3 0 17.26 -999 ? CL CL H2005 >ALA.D 30 46.21 45.78 111.11 44.79 46.03 111.57 45.50 45.91 111.34 2 0 20.09 -999 ? CL CL H2005 >ASN~D 31 45.01 45.50 106.50 43.03 45.09 107.22 44.01 45.29 106.86 2 0 16.80 -999 ? O1 GOL D3005 >ALA~D 32 49.88 45.02 106.85 50.83 45.18 107.92 50.36 45.10 107.39 2 0 17.55 -999 ? O1 GOL D3005 >GLU~D 33 50.28 39.94 107.61 52.24 39.17 107.40 51.26 39.55 107.51 2 0 14.79 -999 ? O1 GOL D3005 >ARG~D 34 43.70 43.25 103.08 42.03 40.72 103.99 42.86 41.99 103.53 2 0 12.13 -999 ? O1 GOL D3005 >TYR~D 35 48.27 47.24 102.95 45.77 48.18 103.82 47.02 47.71 103.38 3 0 13.02 -999 ? CL CL H2005 >ARG~D 36 55.93 43.64 102.74 57.91 43.73 100.41 56.92 43.69 101.57 2 0 15.63 -999 ? O1 GOL D3005 >ARG~D 37 48.82 38.28 99.42 47.22 38.23 96.82 48.02 38.26 98.12 2 0 -4.25 -999 ? O1 GOL D3005s >LEU~D 38 49.32 44.25 97.27 47.25 43.72 96.85 48.28 43.98 97.06 3 0 9.75 -999 ? O1 GOL D3005 >GLN~D 39 55.49 46.72 98.55 56.34 47.32 100.47 55.92 47.02 99.51 2 0 13.96 -999 ? CL CL H2005 >THR~D 40 55.69 42.04 96.73 56.29 40.41 98.01 55.99 41.23 97.37 2 0 11.71 -999 ? C1 GOL D3005 >ILE~D 41 51.92 40.99 93.77 50.71 40.35 93.67 51.32 40.67 93.72 3 0 7.62 -999 ? O1 GOL D3005 >ILE~D 42 53.40 45.98 92.76 52.60 46.44 91.69 53.00 46.21 92.23 3 0 13.08 -999 ? CL CL D2008 >GLU~D 43 58.07 46.43 95.03 58.79 46.64 97.07 58.43 46.54 96.05 2 0 15.38 -999 ? CL CL H2005 >ARG~D 44 59.28 39.14 94.57 59.93 38.01 97.32 59.61 38.58 95.95 2 0 13.53 -999 ? C1 GOL D3005 >GLY~D 45 56.08 41.63 88.81 56.21 40.99 89.32 56.14 41.31 89.07 1 0 12.67 -999 ? C1 GOL D3005 >TYR~D 46 55.28 37.39 91.82 57.35 36.50 93.50 56.31 36.95 92.66 3 0 9.42 -999 ? C1 GOL D3005 >GLY~D 47 52.47 37.92 86.43 52.30 37.49 87.09 52.39 37.70 86.76 1 0 9.88 -999 ? C1 GOL D3005 >LEU~D 48 50.24 34.01 88.19 48.66 32.51 88.30 49.45 33.26 88.25 3 0 4.90 -999 ? C3 GOL D3005 >GLN~D 49 49.64 36.42 92.77 50.82 34.75 92.16 50.23 35.58 92.47 2 0 -3.86 -999 ? C1 GOL D3005s >MET~D 50 48.91 40.71 88.39 52.52 42.42 87.55 50.72 41.57 87.97 2 0 11.82 -999 ? C1 GOL D3005 >ARG~D 51 44.97 36.17 83.73 45.77 36.49 80.75 45.37 36.33 82.24 2 0 -12.62 -999 ? C3 GOL D3005s >GLU~D 52 44.94 36.04 90.12 45.74 34.99 91.77 45.34 35.51 90.94 2 0 2.84 -999 ? O1 GOL D3005s >LEU~D 53 45.78 42.83 90.15 46.74 43.53 91.98 46.26 43.18 91.07 3 0 9.11 -999 ? O1 GOL D3005 >ASP~D 54 43.67 42.20 85.12 45.49 43.03 84.45 44.58 42.61 84.78 2 0 13.05 -999 ? O1 GOL D3005 >ARG~D 55 39.97 38.45 84.97 39.00 40.64 83.01 39.48 39.54 83.99 2 0 14.96 -999 ? O1 GOL D3005 >GLU~D 56 40.62 42.19 92.06 41.92 42.65 93.65 41.27 42.42 92.85 2 0 9.22 -999 ? O1 GOL D3005 >PHE.D 57 40.48 47.10 88.33 41.85 47.94 90.62 41.17 47.52 89.47 3 0 13.70 -999 ? CL CL D2008 >GLY.D 58 35.29 45.78 85.57 35.70 46.47 85.60 35.50 46.13 85.58 1 0 18.13 -999 ? O1 GOL D3005 >GLU.D 59 34.38 48.89 80.62 34.75 48.54 78.54 34.56 48.72 79.58 2 0 17.18 -999 ? O2 GOL D3019 >LEU.D 60 29.21 49.06 83.41 27.14 48.33 83.46 28.17 48.69 83.44 3 0 14.50 -999 ? O2 GOL D3019 >LYS~D 61 30.16 51.15 79.13 28.89 47.78 74.43 29.52 49.46 76.78 2 0 17.13 -999 ? O3 GOL D3019 >GLU~D 62 28.24 57.03 78.84 28.94 58.69 77.75 28.59 57.86 78.29 2 0 6.84 -999 ? O2 GOL D3019 >GLU~D 63 26.38 54.52 74.49 25.00 56.17 74.76 25.69 55.35 74.63 2 0 9.36 -999 ? O3 GOL D3019 >THR~D 64 25.01 50.48 78.85 25.86 48.54 78.75 25.44 49.51 78.80 2 0 14.39 -999 ? O3 GOL D3019 >CYH~D 65 24.72 52.53 82.08 27.28 52.76 83.26 26.00 52.65 82.67 2 0 10.35 -999 ? O2 GOL D3019 >ARG~D 66 24.11 57.93 78.36 24.91 60.51 79.85 24.51 59.22 79.11 2 0 -2.85 -999 ? O3 GOL D3019s >THR~D 67 20.32 52.20 78.84 20.42 50.85 77.22 20.37 51.53 78.03 2 0 -12.87 -999 ? O3 GOL D3019s >ILE~D 68 20.80 50.21 83.29 21.46 49.27 84.01 21.13 49.74 83.65 3 0 13.20 -999 ? O3 GOL D3019 >ILE~D 69 19.48 55.44 83.75 20.14 56.42 84.44 19.81 55.93 84.09 3 0 8.09 -999 ? O3 GOL D3019 >ASP~D 70 16.94 54.59 79.01 15.65 55.42 77.54 16.30 55.01 78.28 2 0 -11.51 -999 ? O3 GOL D3019s >ILE~D 71 15.34 49.97 81.39 15.63 48.68 81.04 15.49 49.33 81.21 3 0 13.51 -999 ? O2 GOL D3018 >MET~D 72 13.93 52.51 84.72 16.85 51.70 87.60 15.39 52.10 86.16 2 0 8.63 -999 ? O1 GOL D3018 >GLU~D 73 12.99 58.17 82.26 12.31 59.24 83.94 12.65 58.71 83.10 2 0 5.51 -999 ? C2 GOL D3020 >MET~D 74 10.47 53.86 80.85 10.38 50.80 78.04 10.43 52.33 79.45 2 0 13.08 -999 ? CL CL D2012 >TYR~D 75 9.41 49.60 83.94 9.22 47.13 82.70 9.31 48.36 83.32 3 0 10.03 -999 ? CL CL D2012 >HIS~D 76 8.84 57.69 86.26 7.93 59.46 86.93 8.39 58.57 86.59 3 0 4.24 -999 ? O2 GOL D3018s >ALA~D 77 6.55 56.57 82.37 7.24 56.79 81.03 6.89 56.68 81.70 2 0 7.20 -999 ? C1 GOL D3020 >LEU~D 78 5.19 51.96 81.88 5.53 50.95 80.04 5.36 51.45 80.96 3 0 9.77 -999 ? CL CL D2012 >HIS~D 79 3.57 52.49 87.96 2.52 51.97 89.71 3.05 52.23 88.83 3 0 -4.57 -999 ? CL CL D2022s >VAL~D 80 2.32 56.98 85.67 3.21 58.91 86.18 2.76 57.95 85.93 3 0 -3.98 -999 ? CL CL D2022s >SER~D 81 0.59 56.62 82.32 2.14 57.19 80.58 1.36 56.91 81.45 2 0 8.64 -999 ? O1 GOL D3020 >TRP~D 82 -2.00 50.10 84.15 -2.01 50.58 88.03 -2.01 50.34 86.09 3 0 8.88 -999 ? CL CL D2022 >SER~D 83 -2.16 54.95 86.89 -0.79 56.60 88.02 -1.47 55.78 87.46 2 0 4.15 -999 ? CL CL D2022 >ASN~D 84 -3.16 59.10 84.71 -2.15 60.07 86.28 -2.66 59.59 85.49 2 0 7.04 -999 ? CL CL D2022 >LEU.D 85 -5.44 54.10 82.44 -4.32 53.61 80.64 -4.88 53.86 81.54 3 0 11.70 -999 ? CL CL D2022 >GLN.D 86 -10.25 58.37 82.22 -11.39 59.40 80.73 -10.82 58.88 81.48 2 0 17.17 -999 ? CL CL D2022 >ASP.D 87 -10.63 52.08 85.92 -9.45 52.62 87.62 -10.04 52.35 86.77 2 0 13.27 -999 ? CL CL D2022 >GLN.D 88 -6.51 49.75 84.99 -6.00 51.28 86.45 -6.26 50.52 85.72 2 0 11.01 -999 ? CL CL D2022 >GLN.D 89 -8.85 50.05 78.00 -8.28 50.17 75.92 -8.57 50.11 76.96 2 0 18.98 -999 ? CL CL D2022 >SER.D 90 -7.58 45.67 82.56 -9.65 44.31 82.61 -8.62 44.99 82.59 2 0 19.08 -999 ? CL CL D2022 >ILE.D 91 -3.03 47.41 81.77 -2.37 48.02 80.76 -2.70 47.71 81.27 3 0 13.59 -999 ? CL CL D2022 >ASP~D 92 -1.67 42.91 85.09 -1.08 41.92 86.85 -1.38 42.41 85.97 2 0 15.62 -999 ? CL CL D2022 >GLU~D 93 0.77 48.16 89.31 0.23 49.10 91.12 0.50 48.63 90.21 2 0 8.23 -999 ? CL CL D2022 >ARG~D 94 3.39 42.85 90.39 4.96 40.19 90.49 4.17 41.52 90.44 2 0 15.71 -999 ? CL CL D2012 >ARG~D 95 1.08 42.29 81.69 1.93 41.79 78.81 1.50 42.04 80.25 2 0 18.32 -999 ? CL CL D2012 >VAL~D 96 4.00 48.12 84.43 2.43 49.66 84.55 3.21 48.89 84.49 3 0 9.29 -999 ? CL CL D2012 >THR~D 97 6.41 47.42 87.31 5.66 46.88 89.28 6.04 47.15 88.29 2 0 8.97 -999 ? CL CL D2012 >PHE.D 98 12.59 48.19 86.72 15.29 47.64 86.19 13.94 47.91 86.45 3 0 11.07 -999 ? CL CL D2012 >LEU.D 99 10.70 42.57 87.13 8.63 41.98 87.46 9.66 42.28 87.30 3 0 13.98 -999 ? CL CL D2012 >GLY.D 100 15.06 44.22 87.32 14.69 43.84 86.72 14.87 44.03 87.02 1 0 14.37 -999 ? CL CL D2012 >PHE.D 101 18.72 43.85 84.71 18.50 46.02 82.98 18.61 44.94 83.84 3 0 16.52 -999 ? O1 GOL D3018 >ASP.D 102 18.96 37.41 85.00 19.42 35.40 85.42 19.19 36.41 85.21 2 0 24.32 -999 ? CL CL D2012 >ALA.D 103 21.54 37.81 88.92 21.25 37.31 90.31 21.40 37.56 89.61 2 0 22.75 -999 ? O3 GOL D3018 >ALA.D 104 22.98 34.70 87.10 22.19 33.47 86.79 22.58 34.09 86.94 2 0 25.39 -999 ? O3 GOL D3005 >THR.D 105 23.59 36.21 83.60 22.17 35.02 82.50 22.88 35.61 83.05 2 0 26.78 -999 ? CL CL D2012 >GLU~D 106 21.11 39.74 82.39 19.19 40.22 81.74 20.15 39.98 82.07 2 0 21.38 -999 ? CL CL D2012 >ALA~D 107 25.02 40.65 87.20 26.22 39.76 87.79 25.62 40.20 87.50 2 0 22.02 -999 ? O1 GOL D3005 >ARG~D 108 29.84 43.62 83.53 28.05 43.26 81.00 28.95 43.44 82.26 2 0 19.71 -999 ? O3 GOL D3019 >TYR~D 109 22.95 44.43 82.69 24.09 43.90 80.20 23.52 44.16 81.45 3 0 18.34 -999 ? O3 GOL D3019 >LEU~D 110 21.44 42.80 88.88 20.14 42.16 90.54 20.79 42.48 89.71 3 0 18.05 -999 ? O1 GOL D3018 >GLY~D 111 24.47 45.79 90.46 24.01 46.13 89.85 24.24 45.96 90.16 1 0 17.00 -999 ? O1 GOL D3018 >TYR~D 112 24.56 50.70 86.69 25.05 53.37 86.07 24.80 52.04 86.38 3 0 11.57 -999 ? O3 GOL D3019 >VAL~D 113 20.33 49.20 89.32 18.51 48.16 88.65 19.42 48.68 88.98 3 0 11.95 -999 ? O1 GOL D3018 >ARG~D 114 21.28 44.89 93.84 20.52 41.96 94.27 20.90 43.42 94.05 2 0 18.11 -999 ? O3 GOL D3018 >PHE~D 115 26.06 52.54 91.96 27.81 54.70 92.22 26.93 53.62 92.09 3 0 13.57 -999 ? O2 GOL D3019 >MET~D 116 21.57 53.87 91.23 22.87 55.32 88.64 22.22 54.59 89.94 2 0 9.93 -999 ? O1 GOL D3018 >VAL~D 117 18.86 53.22 93.85 17.06 52.06 93.78 17.96 52.64 93.82 3 0 8.09 -999 ? O3 GOL D3018 >ASN~D 118 21.36 51.13 97.39 19.90 49.65 97.18 20.63 50.39 97.28 2 0 12.14 -999 ? O3 GOL D3018 >VAL~D 119 23.85 54.83 96.42 25.94 54.25 96.24 24.90 54.54 96.33 3 0 13.05 -999 ? O1 GOL D3018 >GLU.D 120 23.97 57.13 91.99 25.36 58.66 92.38 24.66 57.90 92.18 2 0 -10.99 -999 ? O2 GOL D3019s >GLY.D 121 19.20 57.54 95.55 19.31 57.48 94.76 19.26 57.51 95.15 1 0 7.20 -999 ? O1 GOL D3018 >ARG.D 122 18.06 58.51 88.62 17.90 59.58 85.74 17.98 59.05 87.18 2 0 -6.47 -999 ? O1 GOL D3018s >TYR.D 123 14.40 55.37 89.22 14.73 56.67 86.77 14.56 56.02 88.00 3 0 -4.29 -999 ? O1 GOL D3018s >THR.D 124 13.66 54.92 95.49 14.73 56.44 96.56 14.19 55.68 96.02 2 0 -4.62 -999 ? O3 GOL D3018s >HIS.D 125 9.12 57.04 95.76 9.45 58.59 97.15 9.28 57.81 96.46 3 0 -3.96 -999 ? O3 GOL D3018s >PHE.D 126 11.24 52.22 90.51 11.08 53.65 88.11 11.16 52.93 89.31 3 0 5.21 -999 ? CL CL D2012 >ASP.D 127 7.65 47.79 93.97 7.18 46.10 95.19 7.41 46.95 94.58 2 0 11.17 -999 ? CL CL D2012 >ALA.D 128 12.19 46.30 94.61 13.15 46.51 95.73 12.67 46.40 95.17 2 0 11.58 -999 ? O3 GOL D3018 >GLY.D 129 10.05 43.17 94.83 10.56 43.50 95.44 10.30 43.33 95.13 1 0 14.02 -999 ? CL CL D2012 >THR.D 130 11.32 40.30 97.01 10.66 38.21 97.14 10.99 39.25 97.07 2 0 19.50 -999 ? CL CL D2012 >HIS.D 131 14.37 37.50 95.10 13.27 35.76 95.49 13.82 36.63 95.30 3 0 21.16 -999 ? CL CL D2012 >GLY.D 132 16.18 43.51 95.35 15.93 42.99 94.76 16.06 43.25 95.05 1 0 15.06 -999 ? O3 GOL D3018 >PHE.D 133 15.39 46.38 91.74 14.15 48.70 92.64 14.77 47.54 92.19 3 0 10.72 -999 ? O3 GOL D3018 >ASN.D 134 17.21 39.17 91.82 18.06 37.43 90.85 17.63 38.30 91.34 2 0 21.42 -999 ? O3 GOL D3018 >ALA.D 135 14.36 39.19 88.01 14.38 39.77 86.62 14.37 39.48 87.32 2 0 17.96 -999 ? CL CL D2012 >GLN.D 136 14.97 35.48 90.45 13.74 34.48 91.88 14.35 34.98 91.17 2 0 22.51 -999 ? CL CL D2012 >THR.D 137 15.33 35.46 84.25 13.40 35.37 83.29 14.36 35.42 83.77 2 0 22.35 -999 ? CL CL D2012 >PRO.D 138 18.09 35.31 81.05 16.87 36.93 81.97 17.48 36.12 81.51 3 0 23.78 -999 ? CL CL D2012 >MET~D 139 15.58 40.80 80.68 12.85 40.19 82.24 14.21 40.49 81.46 2 0 18.27 -999 ? CL CL D2012 >TRP~D 140 20.39 43.36 76.35 21.34 46.65 78.16 20.86 45.00 77.25 3 0 18.25 -999 ? O3 GOL D3019 >GLU~D 141 17.13 41.08 72.88 18.91 42.32 72.55 18.02 41.70 72.71 2 0 22.23 -999 ? O1 GOL G3001 >LYS~D 142 13.01 42.17 76.46 7.83 42.85 76.18 10.42 42.51 76.32 2 0 18.65 -999 ? CL CL D2012 >TYR~D 143 14.34 45.54 80.17 13.57 44.79 82.74 13.95 45.17 81.45 3 0 15.16 -999 ? CL CL D2012 >GLN~D 144 17.88 45.80 74.24 18.72 47.75 74.07 18.30 46.77 74.16 2 0 17.30 -999 ? O3 GOL D3019 >ARG~D 145 12.08 41.78 71.45 11.86 39.69 73.74 11.97 40.74 72.59 2 0 21.40 -999 ? O1 GOL G3001 >MET~D 146 10.10 47.69 74.97 9.38 45.82 78.62 9.74 46.76 76.80 2 0 15.04 -999 ? CL CL D2012 >LEU~D 147 13.88 50.74 74.92 14.93 51.36 76.76 14.41 51.05 75.84 3 0 15.73 -999 ? O2 GOL D3020 >ASN~D 148 12.38 49.18 69.99 12.27 49.48 67.83 12.32 49.33 68.91 2 0 21.41 -999 ? O2 GOL D3020 >VAL~D 149 8.27 50.84 71.15 6.69 49.30 71.11 7.48 50.07 71.13 3 0 18.51 -999 ? O2 GOL D3020 >TRP~D 150 7.58 55.02 76.49 10.84 56.37 78.24 9.21 55.69 77.37 3 0 10.12 -999 ? O2 GOL D3020 >HIS~D 151 13.06 55.69 73.24 14.03 55.94 75.08 13.54 55.82 74.16 3 0 -13.00 -999 ? O2 GOL D3020s >ALA.D 152 8.60 55.57 68.96 8.39 54.29 68.16 8.49 54.93 68.56 2 0 18.02 -999 ? O2 GOL D3020 >CYH.D 153 5.67 57.11 70.86 4.62 54.95 72.38 5.14 56.03 71.62 2 0 14.75 -999 ? O1 GOL D3020 >PRO.D 154 3.40 60.66 69.40 5.09 60.17 70.91 4.24 60.42 70.15 3 0 14.52 -999 ? O1 GOL D3020 >ARG.D 155 0.93 64.44 73.19 -0.93 62.13 72.64 0.00 63.29 72.92 2 0 13.82 -999 ? O1 GOL D3020 >GLN.D 156 7.90 58.78 74.76 9.78 59.37 74.06 8.84 59.08 74.41 2 0 -10.40 -999 ? O2 GOL D3020s >TYR.D 157 6.86 61.00 80.62 9.60 60.40 80.64 8.23 60.70 80.63 3 0 4.28 -999 ? O2 GOL D3020 >HIS.D 158 0.86 62.48 80.06 1.83 63.91 81.27 1.34 63.19 80.67 3 0 6.33 -999 ? O1 GOL D3020 >LEU.D 159 1.60 55.77 77.50 3.74 55.70 77.05 2.67 55.73 77.28 3 0 11.20 -999 ? O1 GOL D3020 >SER~D 160 -2.72 55.63 75.90 -2.35 54.92 73.63 -2.54 55.27 74.77 2 0 16.34 -999 ? O1 GOL D3020 >ALA~D 161 -3.79 52.06 76.85 -5.25 51.57 77.15 -4.52 51.82 77.00 2 0 15.88 -999 ? CL CL D2022 >ASN~D 162 -3.53 51.75 71.97 -5.56 51.21 71.39 -4.54 51.48 71.68 2 0 20.95 -999 ? CL CL D2022 >GLU~D 163 0.62 54.76 72.61 1.16 56.78 72.68 0.89 55.77 72.65 2 0 14.42 -999 ? O1 GOL D3020 >ILE~D 164 0.23 51.06 78.30 0.04 51.38 79.72 0.13 51.22 79.01 3 0 12.36 -999 ? CL CL D2022 >ASN~D 165 -1.38 47.13 75.34 -2.60 46.72 77.02 -1.99 46.92 76.18 2 0 17.10 -999 ? CL CL D2022 >GLN~D 166 2.69 48.18 70.17 3.26 49.63 68.68 2.98 48.90 69.42 2 0 21.13 -999 ? O1 GOL D3020 >ILE~D 167 5.31 49.79 75.75 5.87 51.03 76.07 5.59 50.41 75.91 3 0 14.75 -999 ? CL CL D2012 >ILE~D 168 3.70 45.71 78.64 2.51 46.43 79.33 3.10 46.07 78.99 3 0 14.85 -999 ? CL CL D2012 >ASN~D 169 2.51 43.08 73.92 0.74 42.93 75.11 1.62 43.01 74.51 2 0 20.20 -999 ? CL CL D2022 >ALA~D 170 6.93 44.07 72.75 7.76 45.36 72.93 7.35 44.71 72.84 2 0 19.68 -999 ? CL CL D2012 >GLN.E 3 47.85 80.14 56.02 49.90 79.77 55.50 48.87 79.96 55.76 2 0 22.17 -999 ? C2 GOL E3035 >GLU.E 4 52.69 79.08 57.54 54.35 78.71 56.32 53.52 78.89 56.93 2 0 23.16 -999 ? O1 GOL E3004 >SER~E 5 52.85 82.74 62.00 54.17 82.87 64.05 53.51 82.80 63.03 2 0 14.80 -999 ? C3 GOL E3004 >THR~E 6 55.49 85.40 61.54 54.73 87.22 62.55 55.11 86.31 62.05 2 0 12.89 -999 ? O1 GOL E3004 >MET~E 7 57.78 83.23 63.71 56.51 82.81 67.65 57.15 83.02 65.68 2 0 12.41 -999 ? C3 GOL E3004 >GLU~E 8 56.40 79.00 61.68 54.75 77.83 61.13 55.58 78.41 61.40 2 0 20.37 -999 ? C3 GOL E3004 >MET~E 9 58.91 83.19 58.03 59.60 87.29 58.67 59.26 85.24 58.35 2 0 16.74 -999 ? O1 GOL E3004 >THR~E 10 61.94 82.49 55.97 61.23 82.06 54.03 61.59 82.28 55.00 2 0 23.56 -999 ? C1 GOL E3004 >ASN~E 11 66.56 84.05 56.14 67.19 83.33 58.06 66.88 83.69 57.10 2 0 21.92 -999 ? C1 GOL E3004 >ALA~E 12 64.29 85.96 52.68 63.87 85.15 51.46 64.08 85.56 52.07 2 0 25.11 -999 ? O1 GOL E3004 >GLN~E 13 59.19 85.67 53.49 57.86 84.12 53.98 58.52 84.90 53.73 2 0 -21.94 -999 ? O1 GOL E3004s >ARG~E 14 63.05 87.03 60.24 64.56 85.62 62.59 63.80 86.32 61.42 2 0 16.26 -999 ? C1 GOL E3004 >LEU~E 15 66.17 89.87 53.90 67.97 90.86 53.25 67.07 90.36 53.58 3 0 23.16 -999 ? O1 GOL E3004 >ILE~E 16 61.14 90.93 52.03 60.44 90.38 50.96 60.79 90.65 51.50 3 0 22.57 -999 ? O1 GOL E3004 >LEU~E 17 60.01 92.19 57.04 57.88 91.56 57.21 58.94 91.88 57.12 3 0 16.54 -999 ? O1 GOL E3004 >SER~E 18 63.74 94.63 57.27 66.09 94.75 57.93 64.92 94.69 57.60 2 0 18.57 -999 ? O1 GOL E3004 >ASN~E 19 64.46 95.79 52.63 66.34 94.87 52.29 65.40 95.33 52.46 2 0 23.49 -999 ? O1 GOL E3004 >GLN~E 20 59.03 96.16 53.03 57.08 95.35 53.13 58.06 95.75 53.08 2 0 -19.94 -999 ? O1 GOL E3004s >TYR~E 21 60.20 97.64 59.27 57.81 96.28 59.79 59.01 96.96 59.53 3 0 14.13 -999 ? O1 GOL E3004 >LYS~E 22 64.37 100.86 56.32 69.54 97.12 56.69 66.96 98.99 56.51 2 0 21.81 -999 ? O1 GOL E3004 >MET~E 23 62.43 102.35 53.43 62.16 100.38 49.79 62.30 101.37 51.61 2 0 24.83 -999 ? O1 GOL E3004 >MET~E 24 59.57 103.36 55.74 57.07 100.11 56.43 58.32 101.73 56.08 2 0 17.47 -999 ? O1 GOL E3004 >THR~E 25 62.03 105.38 57.79 63.36 104.90 59.41 62.70 105.14 58.60 2 0 18.78 -999 ? O1 GOL E3004 >MET~E 26 63.26 107.20 54.65 65.58 104.80 52.23 64.42 106.00 53.44 2 0 25.25 -999 ? O1 GOL E3004 >LEU~E 27 58.71 106.83 53.03 58.74 106.00 51.04 58.73 106.41 52.04 3 0 24.20 -999 ? O1 GOL E3004 >ASP~E 28 57.09 107.82 57.29 55.83 108.40 58.91 56.46 108.11 58.10 2 0 19.58 -999 ? O1 GOL E3004 >PRO.E 29 61.77 111.20 57.43 60.66 109.81 58.77 61.22 110.51 58.10 3 0 22.45 -999 ? O1 GOL E3004 >ALA.E 30 58.65 111.08 61.98 57.40 111.87 61.76 58.03 111.47 61.87 2 0 20.54 -999 ? O1 GOL E3004 >ASN~E 31 56.53 106.82 62.15 54.79 107.93 62.69 55.66 107.37 62.42 2 0 16.68 -999 ? O1 GOL E3004 >ALA~E 32 61.40 106.11 62.60 62.61 106.96 62.51 62.00 106.53 62.55 2 0 17.67 -999 ? O1 GOL E3004 >GLU~E 33 61.49 106.74 67.93 61.19 107.26 69.96 61.34 107.00 68.95 2 0 14.15 -999 ? O1 GOL E3004 >ARG~E 34 54.44 103.79 65.07 52.71 105.19 67.23 53.58 104.49 66.15 2 0 12.13 -999 ? O1 GOL E3004 >TYR~E 35 58.94 102.78 60.36 56.69 104.19 59.52 57.81 103.49 59.94 3 0 15.88 -999 ? O1 GOL E3004 >ARG~E 36 66.28 100.73 63.79 67.89 98.12 63.67 67.08 99.42 63.73 2 0 16.00 -999 ? C1 GOL E3004 >ARG~E 37 58.59 99.11 69.23 56.48 96.91 69.19 57.53 98.01 69.21 2 0 -4.52 -999 ? O1 GOL E3004s >LEU~E 38 58.82 96.94 63.22 56.69 96.89 63.70 57.76 96.92 63.46 3 0 10.07 -999 ? O1 GOL E3004 >GLN~E 39 65.09 96.90 60.83 66.44 98.57 60.49 65.77 97.74 60.66 2 0 17.21 -999 ? O1 GOL E3004 >THR~E 40 64.85 95.00 65.57 65.64 96.04 67.25 65.24 95.52 66.41 2 0 11.68 -999 ? C1 GOL E3004 >ILE~E 41 60.58 92.89 66.51 59.35 93.02 67.11 59.96 92.95 66.81 3 0 7.95 -999 ? C1 GOL E3004 >ILE~E 42 61.86 91.71 61.50 60.83 90.83 61.05 61.35 91.27 61.28 3 0 13.67 -999 ? O1 GOL E3004 >GLU~E 43 66.77 92.95 61.24 67.88 94.70 61.00 67.33 93.82 61.12 2 0 17.32 -999 ? C1 GOL E3004 >ARG~E 44 67.85 92.14 68.56 69.19 94.64 69.74 68.52 93.39 69.15 2 0 13.68 -999 ? C1 GOL E3004 >GLY~E 45 63.63 87.21 65.85 63.80 87.67 66.48 63.72 87.44 66.16 1 0 12.80 -999 ? C1 GOL E3004 >TYR~E 46 63.33 90.28 70.09 65.68 91.44 71.05 64.50 90.86 70.57 3 0 9.48 -999 ? C1 GOL E3004 >GLY~E 47 59.43 85.57 69.40 59.39 86.26 69.87 59.41 85.91 69.63 1 0 10.01 -999 ? C1 GOL E3004 >LEU~E 48 57.47 87.82 73.30 55.96 88.19 74.83 56.72 88.01 74.06 3 0 4.95 -999 ? C3 GOL E3004 >GLN~E 49 57.98 92.33 70.98 58.97 91.56 72.69 58.48 91.95 71.83 2 0 -3.88 -999 ? C1 GOL E3004s >MET~E 50 56.50 88.24 66.66 59.82 86.64 64.91 58.16 87.44 65.79 2 0 12.03 -999 ? C1 GOL E3004 >ARG~E 51 51.65 84.19 70.80 51.43 81.15 70.20 51.54 82.67 70.50 2 0 12.86 -999 ? C3 GOL E3004 >GLU~E 52 52.85 90.79 71.14 54.01 92.22 72.22 53.43 91.51 71.68 2 0 -2.93 -999 ? O1 GOL E3004s >LEU~E 53 53.74 90.65 64.43 55.11 92.27 63.94 54.42 91.46 64.19 3 0 9.42 -999 ? O1 GOL E3004 >ASP~E 54 50.61 86.23 65.01 52.31 85.22 64.30 51.46 85.72 64.65 2 0 13.23 -999 ? O1 GOL E3004 >ARG~E 55 47.24 86.77 68.80 48.11 84.54 66.77 47.67 85.65 67.79 2 0 13.47 -999 ? C3 GOL E3004 >GLU~E 56 49.08 93.57 65.06 50.69 94.83 64.79 49.89 94.20 64.92 2 0 9.34 -999 ? O1 GOL E3004 >PHE.E 57 48.20 90.03 60.10 50.08 91.92 59.39 49.14 90.97 59.75 3 0 15.04 -999 ? O1 GOL E3004 >GLY.E 58 42.49 88.38 61.38 42.87 88.40 60.61 42.68 88.39 60.99 1 0 18.36 -999 ? O1 GOL E3004 >GLU.E 59 39.30 83.55 59.19 38.26 82.82 60.97 38.78 83.18 60.08 2 0 18.54 -999 ? O2 GOL E3035 >LEU.E 60 36.10 87.84 57.97 34.00 88.18 58.63 35.05 88.01 58.30 3 0 14.26 -999 ? O2 GOL E3035 >LYS~E 61 36.09 83.48 55.83 38.22 79.83 59.29 37.16 81.65 57.56 2 0 18.09 -999 ? C2 GOL E3035 >GLU~E 62 34.02 83.69 49.99 34.45 82.62 48.22 34.23 83.16 49.11 2 0 6.69 -999 ? C2 GOL E3035 >GLU~E 63 31.45 79.77 52.47 30.08 79.96 50.79 30.76 79.86 51.63 2 0 9.77 -999 ? O1 GOL E3035 >THR~E 64 30.87 84.28 56.42 31.61 84.06 58.39 31.24 84.17 57.40 2 0 14.21 -999 ? O1 GOL E3035 >CYH~E 65 31.33 87.51 54.38 34.07 88.06 54.16 32.70 87.79 54.27 2 0 10.03 -999 ? O2 GOL E3035 >ARG~E 66 30.02 84.01 49.15 31.09 85.25 46.47 30.56 84.63 47.81 2 0 -3.03 -999 ? O1 GOL E3035s >THR~E 67 26.25 85.32 54.72 25.97 83.60 56.04 26.11 84.46 55.38 2 0 11.29 -999 ? O3 GOL E3002 >ILE~E 68 27.77 89.61 56.72 28.58 90.13 57.64 28.17 89.87 57.18 3 0 12.89 -999 ? O1 GOL E3035 >ILE~E 69 26.71 90.29 51.50 27.57 90.86 50.52 27.14 90.58 51.01 3 0 7.70 -999 ? O1 GOL E3035 >ASP~E 70 23.07 86.29 52.35 21.57 85.17 51.32 22.32 85.73 51.84 2 0 5.56 -999 ? O3 GOL E3002 >ILE~E 71 22.10 88.85 56.95 22.27 88.37 58.24 22.19 88.61 57.60 3 0 12.67 -999 ? O3 GOL E3002 >MET~E 72 21.43 92.52 54.46 25.02 94.57 55.23 23.23 93.55 54.84 2 0 8.15 -999 ? O1 GOL E3022 >GLU~E 73 19.82 90.31 48.74 19.50 92.07 47.58 19.66 91.19 48.16 2 0 -6.85 -999 ? O1 GOL E3022s >MET~E 74 17.31 89.58 52.97 16.46 86.82 56.08 16.88 88.20 54.53 2 0 10.32 -999 ? C3 GOL E3002 >TYR~E 75 16.89 92.83 57.30 16.35 91.61 59.76 16.62 92.22 58.53 3 0 10.13 -999 ? CL CL E2013 >HIS~E 76 16.97 95.07 49.08 16.37 95.97 47.28 16.67 95.52 48.18 3 0 -4.87 -999 ? CL CL E2013s >ALA~E 77 13.89 92.05 50.21 14.20 90.55 50.08 14.05 91.30 50.15 2 0 8.91 -999 ? CL CL E2013 >LEU~E 78 12.34 91.89 54.83 12.21 89.97 55.83 12.27 90.93 55.33 3 0 9.92 -999 ? CL CL E2013 >HIS~E 79 12.36 98.35 54.34 11.69 100.32 54.60 12.02 99.33 54.47 3 0 -4.18 -999 ? CL CL E2032s >VAL~E 80 10.81 96.40 49.90 11.82 96.49 47.93 11.31 96.44 48.92 3 0 4.03 -999 ? CL CL E2032 >SER~E 81 8.14 93.66 50.22 9.19 91.54 49.74 8.67 92.60 49.98 2 0 9.10 -999 ? CL CL E2032 >TRP~E 82 6.15 95.71 56.78 6.86 99.58 56.84 6.50 97.65 56.81 3 0 8.95 -999 ? CL CL E2032 >SER~E 83 6.89 98.81 51.94 8.26 99.71 50.10 7.57 99.26 51.02 2 0 3.98 -999 ? CL CL E2032 >ASN~E 84 5.48 96.99 47.72 6.68 98.41 46.68 6.08 97.70 47.20 2 0 6.86 -999 ? CL CL E2032 >LEU.E 85 2.28 95.28 52.42 2.76 93.21 52.90 2.52 94.24 52.66 3 0 11.55 -999 ? CL CL E2032 >GLN.E 86 -1.20 97.66 47.65 -1.31 99.81 47.38 -1.26 98.74 47.52 2 0 13.85 -999 ? CL CL E2032 >ASP.E 87 -1.49 93.68 53.06 -2.37 92.13 51.89 -1.93 92.91 52.47 2 0 16.68 -999 ? CL CL E2032 >GLN.E 88 -5.64 92.65 57.09 -6.31 90.65 56.67 -5.97 91.65 56.88 2 0 21.72 -999 ? CL CL E2032 >GLN.E 89 1.74 96.28 56.82 2.47 98.31 56.99 2.10 97.29 56.90 2 0 11.91 -999 ? CL CL E2032 >SER.E 90 0.67 97.23 60.75 0.89 98.72 62.63 0.78 97.98 61.69 2 0 16.73 -999 ? CL CL E2032 >ILE.E 91 4.24 94.11 59.44 4.56 93.01 58.73 4.40 93.56 59.09 3 0 13.40 -999 ? CL CL E2032 >ASP~E 92 6.40 96.69 64.15 7.81 98.00 64.97 7.10 97.34 64.56 2 0 15.39 -999 ? CL CL E2032 >GLU~E 93 9.96 100.16 58.92 10.04 102.16 58.24 10.00 101.16 58.58 2 0 8.42 -999 ? CL CL E2032 >ARG~E 94 12.62 99.03 66.62 15.44 98.70 67.89 14.03 98.87 67.26 2 0 16.65 -999 ? CL CL E2013 >ARG~E 95 8.24 92.43 64.58 8.56 89.36 64.86 8.40 90.90 64.72 2 0 18.33 -999 ? CL CL E2013 >VAL~E 96 11.95 94.47 58.76 10.06 94.79 57.70 11.00 94.63 58.23 3 0 9.65 -999 ? CL CL E2032 >THR~E 97 14.93 96.69 59.62 14.80 98.78 60.10 14.86 97.73 59.86 2 0 8.92 -999 ? CL CL E2013 >PHE.E 98 20.72 94.66 58.85 23.24 93.53 59.37 21.98 94.10 59.11 3 0 11.20 -999 ? CL CL E2013 >LEU.E 99 18.95 95.36 64.50 17.03 96.10 65.27 17.99 95.73 64.88 3 0 14.23 -999 ? CL CL E2013 >GLY.E 100 23.21 94.72 62.80 22.71 94.23 63.20 22.96 94.47 63.00 1 0 14.41 -999 ? CL CL E2013 >PHE.E 101 26.26 91.40 63.08 25.56 89.78 60.94 25.91 90.59 62.01 3 0 16.02 -999 ? O1 GOL E3022 >ASP.E 102 26.42 91.49 69.61 27.08 91.68 71.63 26.75 91.59 70.62 2 0 24.45 -999 ? CL CL E2013 >ALA.E 103 29.75 94.87 69.28 29.73 96.24 69.72 29.74 95.55 69.50 2 0 22.77 -999 ? O1 GOL E3022 >ALA.E 104 30.68 92.74 72.36 29.80 92.61 73.57 30.24 92.68 72.97 2 0 25.00 -999 ? O3 GOL E3004 >THR.E 105 30.57 89.23 70.86 28.85 88.51 71.92 29.71 88.87 71.39 2 0 24.42 -999 ? O1 GOL D3019 >GLU~E 106 27.90 88.73 67.36 25.90 88.59 66.70 26.90 88.66 67.03 2 0 21.05 -999 ? O1 GOL E3022 >ALA~E 107 32.73 92.45 66.43 33.92 92.84 67.38 33.33 92.65 66.90 2 0 22.09 -999 ? O1 GOL E3004 >ARG~E 108 36.12 87.73 64.17 35.30 85.24 62.51 35.71 86.48 63.34 2 0 18.65 -999 ? O1 GOL E3035 >TYR~E 109 29.73 88.43 62.54 30.41 85.74 63.01 30.07 87.08 62.78 3 0 18.10 -999 ? O1 GOL E3035 >LEU~E 110 29.73 94.82 64.20 29.03 96.70 64.87 29.38 95.76 64.53 3 0 17.80 -999 ? O1 GOL E3022 >GLY~E 111 33.10 95.52 61.28 32.48 95.08 60.92 32.79 95.30 61.10 1 0 16.72 -999 ? O1 GOL E3022 >TYR~E 112 32.26 92.00 56.29 32.65 91.34 53.61 32.45 91.67 54.95 3 0 11.16 -999 ? O2 GOL E3035 >VAL~E 113 28.81 95.51 57.83 26.89 95.31 58.91 27.85 95.41 58.37 3 0 11.63 -999 ? O1 GOL E3022 >ARG~E 114 31.03 99.62 62.12 30.45 100.18 65.09 30.74 99.90 63.60 2 0 18.39 -999 ? O3 GOL E3022 >PHE~E 115 34.96 96.80 54.59 36.76 96.75 52.48 35.86 96.78 53.53 3 0 12.71 -999 ? O2 GOL E3035 >MET~E 116 30.43 97.12 53.21 31.11 94.34 51.71 30.77 95.73 52.46 2 0 -9.34 -999 ? O1 GOL E3022s >VAL~E 117 28.38 100.28 53.79 26.55 100.65 54.99 27.47 100.46 54.39 3 0 7.40 -999 ? O3 GOL E3022 >ASN~E 118 31.70 103.14 55.93 30.26 103.25 57.51 30.98 103.19 56.72 2 0 11.51 -999 ? O3 GOL E3022 >VAL~E 119 33.78 101.64 52.28 35.79 101.01 52.96 34.78 101.33 52.62 3 0 11.62 -999 ? O3 GOL E3022 >GLU.E 120 33.01 97.18 49.59 34.45 97.37 48.08 33.73 97.28 48.83 2 0 -9.65 -999 ? O2 GOL E3035s >GLY.E 121 29.14 101.88 49.37 29.06 101.07 49.43 29.10 101.48 49.40 1 0 -5.18 -999 ? O3 GOL E3022s >ARG.E 122 26.42 95.37 48.46 25.62 92.61 47.34 26.02 93.99 47.90 2 0 -5.69 -999 ? O1 GOL E3022s >TYR.E 123 23.00 96.79 51.50 22.74 94.30 50.21 22.87 95.54 50.86 3 0 -3.70 -999 ? O1 GOL E3022s >THR.E 124 23.70 103.06 51.99 25.05 103.85 50.45 24.38 103.45 51.22 2 0 -3.50 -999 ? O3 GOL E3022s >HIS.E 125 19.41 104.46 50.06 20.14 105.76 48.58 19.77 105.11 49.32 3 0 5.41 -999 ? C3 GOL E3022 >PHE.E 126 20.25 98.76 54.91 19.54 96.43 53.51 19.90 97.60 54.21 3 0 5.26 -999 ? CL CL E2013 >ASP.E 127 17.80 103.20 59.40 17.93 103.89 61.44 17.87 103.54 60.42 2 0 11.39 -999 ? CL CL E2013 >ALA.E 128 22.28 102.43 60.93 23.57 103.26 60.70 22.93 102.85 60.82 2 0 12.84 -999 ? CL CL E2013 >GLY.E 129 20.44 102.98 64.21 20.96 103.48 63.67 20.70 103.23 63.94 1 0 14.25 -999 ? CL CL E2013 >THR.E 130 22.92 105.21 65.92 22.73 107.12 66.93 22.82 106.17 66.43 2 0 18.85 -999 ? CL CL E2013 >HIS.E 131 25.00 102.72 69.75 24.26 103.67 71.48 24.63 103.20 70.62 3 0 21.62 -999 ? CL CL E2013 >GLY.E 132 26.22 102.29 63.56 25.89 101.75 64.09 26.05 102.02 63.83 1 0 15.84 -999 ? O3 GOL E3022 >PHE.E 133 24.68 99.06 60.63 23.71 100.37 58.35 24.20 99.71 59.49 3 0 11.73 -999 ? CL CL E2013 >ASN.E 134 26.64 98.55 67.66 26.91 97.58 69.55 26.78 98.06 68.61 2 0 21.44 -999 ? CL CL E2013 >ALA.E 135 22.68 95.82 67.83 22.19 94.52 67.17 22.43 95.17 67.50 2 0 17.76 -999 ? CL CL E2013 >GLN.E 136 24.22 97.96 71.95 23.07 99.69 72.57 23.64 98.82 72.26 2 0 22.51 -999 ? CL CL E2013 >THR.E 137 22.70 91.77 71.51 20.53 91.40 71.47 21.61 91.58 71.49 2 0 22.17 -999 ? CL CL E2013 >PRO.E 138 24.68 87.97 71.65 23.61 89.14 70.08 24.14 88.56 70.87 3 0 23.81 -999 ? CL CL E2013 >MET~E 139 22.08 88.24 66.11 19.75 90.47 66.89 20.91 89.36 66.50 2 0 18.34 -999 ? CL CL E2013 >TRP~E 140 25.76 82.84 63.51 27.17 84.46 60.23 26.47 83.65 61.87 3 0 16.70 -999 ? O3 GOL E3002 >GLU~E 141 21.80 82.16 67.66 21.51 80.62 69.17 21.66 81.39 68.41 2 0 19.75 -999 ? O1 GOL D3019 >LYS~E 142 18.76 84.43 64.64 13.52 85.68 64.66 16.14 85.06 64.65 2 0 18.17 -999 ? O1 GOL E3002 >TYR~E 143 20.79 87.99 61.33 20.74 90.64 62.13 20.77 89.32 61.73 3 0 15.23 -999 ? CL CL E2013 >GLN~E 144 22.86 81.65 61.34 23.71 82.87 59.78 23.28 82.26 60.56 2 0 13.80 -999 ? O3 GOL E3002 >ARG~E 145 16.30 80.38 65.14 17.26 82.53 67.17 16.78 81.46 66.15 2 0 19.70 -999 ? O1 GOL E3002 >MET~E 146 15.47 83.94 59.20 15.69 87.57 61.04 15.58 85.76 60.12 2 0 15.21 -999 ? O1 GOL E3002 >LEU~E 147 19.19 83.00 56.15 20.63 84.47 55.58 19.91 83.73 55.86 3 0 9.23 -999 ? C3 GOL E3002 >ASN~E 148 16.50 78.61 57.58 15.95 76.60 57.32 16.22 77.61 57.45 2 0 10.65 -999 ? O1 GOL E3002 >VAL~E 149 12.80 80.51 55.94 11.22 80.83 57.47 12.01 80.67 56.70 3 0 10.46 -999 ? O1 GOL E3002 >TRP~E 150 13.53 85.96 51.70 17.23 86.80 50.63 15.38 86.38 51.16 3 0 6.44 -999 ? C3 GOL E3002 >HIS~E 151 17.87 81.44 51.19 19.31 82.95 50.96 18.59 82.20 51.08 3 0 -4.12 -999 ? O1 GOL E3002s >ALA~E 152 12.61 78.28 51.34 12.29 77.53 52.62 12.45 77.90 51.98 2 0 7.65 -999 ? O1 GOL E3002 >CYH~E 153 10.10 80.75 49.90 9.59 82.62 51.85 9.84 81.69 50.87 2 0 8.85 -999 ? O1 GOL E3002 >PRO.E 154 8.10 78.12 47.00 9.52 79.80 46.96 8.81 78.96 46.98 3 0 8.46 -999 ? O1 GOL E3002 >ARG.E 155 7.91 86.02 43.52 5.22 85.54 45.07 6.57 85.78 44.30 2 0 13.04 -999 ? O1 GOL E3002 >GLN.E 156 14.23 83.94 47.81 16.25 83.38 47.77 15.24 83.66 47.79 2 0 -2.61 -999 ? C3 GOL E3002s >TYR.E 157 13.76 89.62 45.68 16.45 89.35 46.36 15.10 89.48 46.02 3 0 -7.44 -999 ? C3 GOL E3002s >HIS.E 158 8.21 91.93 44.16 9.29 93.32 43.02 8.75 92.63 43.59 3 0 10.67 -999 ? CL CL E2032 >LEU.E 159 7.86 88.53 50.59 9.77 87.52 50.83 8.82 88.03 50.71 3 0 11.49 -999 ? O1 GOL E3002 >SER~E 160 3.45 88.20 50.74 3.12 85.96 51.65 3.28 87.08 51.20 2 0 15.47 -999 ? O1 GOL E3002 >ALA~E 161 2.54 89.47 54.19 1.16 90.11 54.58 1.85 89.79 54.39 2 0 15.47 -999 ? CL CL E2032 >ASN~E 162 1.60 84.75 54.79 0.68 83.54 56.28 1.14 84.15 55.54 2 0 18.79 -999 ? O1 GOL E3002 >GLU~E 163 5.75 84.10 51.71 6.08 84.26 49.61 5.91 84.18 50.66 2 0 11.74 -999 ? O1 GOL E3002 >ILE~E 164 6.68 89.75 55.50 6.81 91.18 55.21 6.74 90.47 55.35 3 0 12.14 -999 ? CL CL E2032 >ASN~E 165 4.18 87.03 59.16 3.30 89.01 59.39 3.74 88.02 59.27 2 0 16.84 -999 ? CL CL E2032 >GLN~E 166 5.52 81.96 57.48 5.30 80.80 55.69 5.41 81.38 56.59 2 0 14.31 -999 ? O1 GOL E3002 >ILE~E 167 11.12 85.71 56.86 11.74 85.85 55.67 11.43 85.78 56.27 3 0 11.56 -999 ? O1 GOL E3002 >ILE~E 168 10.14 89.02 60.90 9.15 89.99 60.21 9.64 89.51 60.55 3 0 14.82 -999 ? CL CL E2013 >ASN~E 169 7.68 84.72 63.04 6.24 86.17 63.59 6.96 85.45 63.32 2 0 20.11 -999 ? CL CL E2032 >ALA.E 170 11.76 82.55 62.69 12.60 82.37 61.38 12.18 82.46 62.04 2 0 14.63 -999 ? O1 GOL E3002 >GLN.F 3 62.95 43.44 28.90 64.33 44.39 30.23 63.64 43.91 29.56 2 0 12.99 -999 ? CL CL F2035 >GLU.F 4 56.74 42.66 28.58 56.05 44.66 28.52 56.39 43.66 28.55 2 0 20.54 -999 ? CL CL F2035 >SER~F 5 57.77 38.17 27.13 56.09 36.44 27.01 56.93 37.31 27.07 2 0 19.25 -999 ? CL CL F2035 >THR~F 6 55.89 38.56 23.87 56.67 37.15 22.38 56.28 37.86 23.13 2 0 19.98 -999 ? CL CL F2035 >MET~F 7 52.67 37.47 25.76 52.63 33.44 26.89 52.65 35.45 26.33 2 0 22.96 -999 ? CL CL F2035 >GLU~F 8 54.32 40.00 29.52 52.85 39.83 30.97 53.58 39.91 30.25 2 0 22.40 -999 ? CL CL F2035 >MET~F 9 52.92 42.98 24.49 52.86 41.58 20.59 52.89 42.28 22.54 2 0 21.92 -999 ? O1 GOL B3017 >THR~F 10 50.32 45.69 24.15 51.36 47.54 24.38 50.84 46.62 24.26 2 0 20.12 -999 ? O2 GOL B3017 >ASN~F 11 46.13 46.06 21.64 44.92 44.52 22.55 45.53 45.29 22.09 2 0 13.91 -999 ? O1 GOL B3017 >ALA~F 12 49.49 48.51 19.74 49.95 49.81 20.36 49.72 49.16 20.05 2 0 18.21 -999 ? O2 GOL B3017 >GLN~F 13 54.12 46.93 21.35 55.08 46.55 23.21 54.60 46.74 22.28 2 0 -23.19 -999 ? CL CL F2035s >ARG~F 14 49.17 40.62 20.09 46.79 39.22 21.58 47.98 39.92 20.83 2 0 16.88 -999 ? O1 GOL B3017 >LEU~F 15 48.21 46.83 15.75 46.76 47.57 14.36 47.49 47.20 15.05 3 0 16.51 -999 ? O2 GOL B3017 >ILE~F 16 53.52 47.44 15.50 54.35 48.46 15.94 53.94 47.95 15.72 3 0 22.56 -999 ? O2 GOL B3017 >LEU~F 17 53.81 42.16 15.43 55.61 41.78 16.59 54.71 41.97 16.01 3 0 23.92 -999 ? O1 GOL B3017 >SER~F 18 50.60 42.15 12.28 48.22 42.09 11.72 49.41 42.12 12.00 2 0 18.98 -999 ? O1 GOL B3017 >ASN~F 19 51.22 46.49 10.14 49.31 47.27 10.65 50.26 46.88 10.39 2 0 19.88 -999 ? O2 GOL B3017 >GLN~F 20 56.29 44.98 11.21 58.00 44.75 12.45 57.15 44.86 11.83 2 0 -25.78 -999 ? CL CL F2035s >TYR~F 21 54.13 38.92 10.51 56.02 38.27 12.47 55.07 38.60 11.49 3 0 26.08 -999 ? O1 GOL B3017 >LYS~F 22 51.36 41.84 5.91 45.78 43.39 8.51 48.57 42.62 7.21 2 0 18.36 -999 ? O1 GOL B3017 >MET~F 23 54.19 43.96 4.53 54.80 47.79 5.88 54.49 45.88 5.20 2 0 26.06 -999 ? C1 GOL B3003 >MET~F 24 56.70 41.11 4.48 58.17 40.58 8.34 57.44 40.84 6.41 2 0 27.83 -999 ? CL CL F2035 >THR~F 25 54.15 39.09 2.51 52.43 37.89 3.01 53.29 38.49 2.76 2 0 27.97 -999 ? O1 GOL B3017 >MET~F 26 53.86 41.93 -0.01 51.83 45.24 1.32 52.84 43.59 0.65 2 0 27.46 -999 ? O1 GOL B3017 >LEU~F 27 58.52 42.74 0.75 58.82 44.87 0.97 58.67 43.81 0.86 3 0 31.00 -999 ? C1 GOL B3003 >ASP~F 28 59.39 38.13 1.08 60.39 36.31 1.06 59.89 37.22 1.07 2 0 32.62 -999 ? CL CL F2035 >PRO.F 29 55.80 37.39 -3.44 55.98 36.74 -1.28 55.89 37.07 -2.36 3 0 34.07 -999 ? O1 GOL B3017 >ALA.F 30 57.51 33.10 -1.55 58.97 32.95 -1.98 58.24 33.03 -1.76 2 0 36.20 -999 ? CL CL F2035 >ASN~F 31 58.51 33.50 3.06 60.38 32.61 2.54 59.45 33.05 2.80 2 0 31.62 -999 ? CL CL F2035 >ALA~F 32 53.72 34.03 2.68 52.74 34.16 1.55 53.23 34.09 2.12 2 0 30.31 -999 ? O1 GOL B3017 >GLU~F 33 52.99 28.23 5.09 53.65 26.29 4.47 53.32 27.26 4.78 2 0 33.28 -999 ? O1 GOL B3017 >ARG~F 34 59.52 30.90 7.26 60.86 28.10 6.84 60.19 29.50 7.05 2 0 28.76 -999 ? CL CL F2035 >TYR~F 35 55.89 36.47 6.05 58.49 36.69 5.11 57.19 36.58 5.58 3 0 30.41 -999 ? CL CL F2035 >ARG~F 36 47.43 34.56 6.90 45.82 36.16 8.95 46.63 35.36 7.93 2 0 20.40 -999 ? O1 GOL B3017 >ARG~F 37 53.50 28.70 11.30 55.02 28.89 13.93 54.26 28.80 12.61 2 0 -27.07 -999 ? CL CL F2035s >LEU~F 38 54.33 35.00 12.29 56.27 34.07 12.73 55.30 34.54 12.51 3 0 26.64 -999 ? CL CL F2035 >GLN~F 39 48.87 38.52 10.40 48.04 38.83 8.48 48.45 38.67 9.44 2 0 21.23 -999 ? O1 GOL B3017 >THR~F 40 47.69 34.31 13.13 46.73 32.65 12.19 47.21 33.48 12.66 2 0 21.55 -999 ? O1 GOL B3017 >ILE~F 41 51.15 33.10 16.35 52.16 32.24 16.58 51.66 32.67 16.47 3 0 24.37 -999 ? O1 GOL B3017 >ILE~F 42 50.79 38.39 16.24 51.70 38.80 17.18 51.25 38.59 16.71 3 0 21.34 -999 ? O1 GOL B3017 >GLU~F 43 46.38 39.16 13.84 45.66 39.18 11.88 46.02 39.17 12.86 2 0 17.56 -999 ? O1 GOL B3017 >ARG~F 44 43.53 32.70 15.75 42.58 31.25 13.24 43.05 31.97 14.50 2 0 19.46 -999 ? O1 GOL B3017 >GLY~F 45 47.24 35.61 20.99 47.06 34.90 20.57 47.15 35.26 20.78 1 0 18.91 -999 ? O1 GOL B3017 >TYR~F 46 47.17 30.75 18.87 44.91 30.06 17.34 46.04 30.40 18.11 3 0 21.33 -999 ? O1 GOL B3017 >GLY~F 47 50.15 31.83 24.18 50.23 31.30 23.58 50.19 31.57 23.88 1 0 23.85 -999 ? O1 GOL B3017 >LEU~F 48 51.60 27.27 23.32 52.72 25.39 23.47 52.16 26.33 23.39 3 0 26.20 -999 ? CL CL F2035 >GLN~F 49 52.39 28.58 18.18 51.03 27.30 19.18 51.71 27.94 18.68 2 0 -27.01 -999 ? O1 GOL B3017s >MET~F 50 54.14 33.30 21.64 50.99 35.91 21.93 52.56 34.61 21.79 2 0 22.09 -999 ? O1 GOL B3017 >ARG~F 51 56.56 29.17 27.33 58.39 29.67 29.78 57.47 29.42 28.55 2 0 18.26 -999 ? CL CL F2035 >GLU~F 52 57.13 27.62 20.93 55.96 26.54 19.60 56.54 27.08 20.27 2 0 -24.25 -999 ? CL CL F2035s >LEU~F 53 57.82 34.38 19.66 56.88 34.72 17.78 57.35 34.55 18.72 3 0 21.25 -999 ? CL CL F2035 >ASP~F 54 59.85 34.12 24.67 58.32 35.47 25.18 59.09 34.80 24.93 2 0 17.55 -999 ? CL CL F2035 >ARG~F 55 62.56 29.89 25.65 64.18 28.30 27.76 63.37 29.09 26.70 2 0 14.19 -999 ? CL CL F2035 >GLU~F 56 62.56 32.21 18.10 61.29 32.37 16.50 61.92 32.29 17.30 2 0 19.98 -999 ? CL CL F2035 >PHE.F 57 63.95 37.55 20.81 62.61 38.08 18.41 63.28 37.81 19.61 3 0 15.85 -999 ? CL CL F2035 >GLY.F 58 68.80 35.71 23.84 68.57 36.47 23.65 68.69 36.09 23.75 1 0 9.01 -999 ? CL CL F2035 >GLU.F 59 70.01 37.30 28.39 71.62 37.24 29.74 70.82 37.27 29.07 2 0 -3.47 -999 ? CL CL F2035s >LEU.F 60 75.50 37.83 25.48 77.36 36.73 25.69 76.43 37.28 25.58 3 0 4.80 -999 ? CL CL F2035 >LYS~F 61 75.18 41.05 29.20 73.13 39.59 35.06 74.15 40.32 32.13 2 0 -5.82 -999 ? CL CL F2035s >GLU~F 62 78.25 46.27 28.27 77.97 48.25 28.91 78.11 47.26 28.59 2 0 11.61 -999 ? CL CL F2035 >GLU~F 63 79.68 44.12 33.16 81.40 45.47 32.88 80.54 44.79 33.02 2 0 10.86 -999 ? CL CL F2035 >THR~F 64 80.10 39.29 29.74 78.76 37.65 30.15 79.43 38.47 29.94 2 0 -3.74 -999 ? CL CL F2035s >CYH~F 65 80.79 40.61 26.17 78.26 41.13 24.93 79.53 40.87 25.55 2 0 7.36 -999 ? CL CL F2035 >ARG~F 66 82.56 46.21 28.69 82.42 48.67 26.84 82.49 47.44 27.77 2 0 13.15 -999 ? O3 GOL F3039 >THR~F 67 85.04 39.90 29.55 84.60 38.93 31.46 84.82 39.42 30.51 2 0 -9.79 -999 ? CL CL F2035s >ILE~F 68 84.05 37.22 25.51 83.15 36.33 24.99 83.60 36.78 25.25 3 0 9.86 -999 ? CL CL F2035 >ILE~F 69 86.39 41.77 24.18 85.99 42.77 23.26 86.19 42.27 23.72 3 0 7.77 -999 ? O3 GOL F3039 >ASP~F 70 88.86 41.25 28.96 90.30 42.22 30.24 89.58 41.74 29.60 2 0 -11.57 -999 ? O3 GOL F3039s >ILE~F 71 89.33 36.13 27.63 88.74 35.06 28.19 89.03 35.60 27.91 3 0 12.80 -999 ? O3 GOL F3039 >MET~F 72 91.22 37.58 23.87 88.10 36.97 21.16 89.66 37.27 22.52 2 0 8.54 -999 ? O2 GOL F3039 >GLU~F 73 93.55 43.24 25.35 94.46 43.89 23.55 94.00 43.56 24.45 2 0 5.19 -999 ? O3 GOL F3039 >MET~F 74 95.00 38.94 27.45 94.38 36.48 30.82 94.69 37.71 29.14 2 0 13.10 -999 ? CL CL F2034 >TYR~F 75 95.01 33.97 25.26 94.64 31.83 27.03 94.82 32.90 26.14 3 0 9.99 -999 ? CL CL F2034 >HIS~F 76 97.24 41.20 21.57 98.43 42.65 20.63 97.83 41.93 21.10 3 0 -4.65 -999 ? CL CL F2034s >ALA~F 77 99.32 40.41 25.48 98.76 40.99 26.78 99.04 40.70 26.13 2 0 8.70 -999 ? CL CL F2034 >LEU~F 78 99.78 35.76 26.85 99.29 35.11 28.89 99.54 35.43 27.87 3 0 9.71 -999 ? CL CL F2034 >HIS~F 79 101.04 34.65 20.79 101.93 33.69 19.16 101.49 34.17 19.98 3 0 -4.63 -999 ? CL CL F2023s >VAL~F 80 103.23 39.13 21.93 102.76 41.19 21.29 102.99 40.16 21.61 3 0 -3.94 -999 ? CL CL F2023s >SER~F 81 105.10 38.99 25.26 103.91 40.31 26.96 104.50 39.65 26.11 2 0 9.12 -999 ? CL CL F2023 >TRP~F 82 106.15 31.91 24.85 106.17 31.15 20.99 106.16 31.53 22.92 3 0 9.00 -999 ? CL CL F2023 >SER~F 83 107.41 36.26 21.11 106.31 38.05 19.96 106.86 37.15 20.53 2 0 4.14 -999 ? CL CL F2023 >ASN.F 84 109.54 40.13 22.81 108.36 41.04 21.28 108.95 40.59 22.04 2 0 7.11 -999 ? CL CL F2023 >LEU.F 85 110.58 35.18 25.83 109.53 35.31 27.76 110.05 35.24 26.80 3 0 11.81 -999 ? CL CL F2023 >GLN.F 86 116.04 37.46 25.04 115.11 38.27 23.27 115.57 37.86 24.16 2 0 13.52 -999 ? CL CL F2023 >ASP.F 87 115.40 31.64 27.93 114.92 29.64 28.59 115.16 30.64 28.26 2 0 18.32 -999 ? CL CL F2023 >GLN.F 88 110.72 32.01 23.48 109.63 31.64 21.70 110.17 31.83 22.59 2 0 10.31 -999 ? CL CL F2023 >GLN.F 89 111.28 28.50 31.18 109.82 28.44 32.74 110.55 28.47 31.96 2 0 19.02 -999 ? CL CL F2023 >SER.F 90 110.08 25.56 27.73 111.86 24.02 28.43 110.97 24.79 28.08 2 0 19.87 -999 ? CL CL F2023 >ILE.F 91 106.67 29.17 27.92 106.28 30.32 28.61 106.48 29.75 28.26 3 0 13.79 -999 ? CL CL F2023 >ASP~F 92 104.11 24.69 25.10 103.20 23.88 23.38 103.65 24.28 24.24 2 0 15.33 -999 ? CL CL F2023 >GLU~F 93 102.94 29.85 20.29 103.30 29.96 18.20 103.12 29.90 19.25 2 0 8.36 -999 ? CL CL F2023 >ARG~F 94 98.12 23.01 22.37 95.90 22.43 24.48 97.01 22.72 23.42 2 0 17.00 -999 ? CL CL F2034 >ARG~F 95 101.23 25.44 29.03 100.92 26.10 32.03 101.07 25.77 30.53 2 0 18.18 -999 ? CL CL F2034 >VAL~F 96 99.78 31.35 25.17 101.87 32.03 25.34 100.82 31.69 25.25 3 0 9.51 -999 ? CL CL F2034 >THR~F 97 97.23 30.57 22.41 97.70 29.45 20.61 97.47 30.01 21.51 2 0 8.97 -999 ? CL CL F2034 >PHE.F 98 91.41 32.84 22.80 88.70 32.93 23.40 90.06 32.89 23.10 3 0 11.09 -999 ? CL CL F2034 >LEU.F 99 92.01 27.08 23.54 93.77 25.78 23.40 92.89 26.43 23.47 3 0 13.96 -999 ? CL CL F2034 >GLY.F 100 88.10 29.47 22.82 88.41 29.13 23.45 88.25 29.30 23.14 1 0 14.35 -999 ? CL CL F2034 >PHE.F 101 84.48 30.46 25.35 85.33 32.81 26.63 84.91 31.64 25.99 3 0 12.00 -999 ? CL CL F2035 >ASP.F 102 82.74 24.28 26.35 81.91 22.30 26.35 82.32 23.29 26.35 2 0 16.73 -999 ? CL CL F2035 >ALA.F 103 80.38 24.48 22.19 80.56 23.71 20.93 80.47 24.09 21.56 2 0 17.16 -999 ? CL CL F2035 >ALA.F 104 78.22 22.26 24.45 78.62 20.87 24.89 78.42 21.57 24.67 2 0 17.42 -999 ? CL CL F2035 >THR.F 105 78.18 24.30 27.70 79.35 23.01 28.98 78.76 23.65 28.34 2 0 14.75 -999 ? CL CL F2035 >GLU~F 106 81.39 27.31 28.31 83.45 27.54 28.69 82.42 27.42 28.50 2 0 12.79 -999 ? CL CL F2035 >ALA~F 107 77.64 28.24 23.39 76.33 27.50 23.08 76.99 27.87 23.23 2 0 11.99 -999 ? CL CL F2035 >ARG~F 108 74.01 31.91 26.65 74.85 33.96 28.84 74.43 32.94 27.75 2 0 -3.40 -999 ? CL CL F2035s >TYR~F 109 80.57 32.26 27.20 79.31 32.54 29.65 79.94 32.40 28.42 3 0 6.98 -999 ? CL CL F2035 >LEU~F 110 81.53 29.19 21.42 82.56 28.03 19.88 82.05 28.61 20.65 3 0 14.54 -999 ? CL CL F2035 >GLY~F 111 79.06 32.44 19.50 79.67 32.75 19.95 79.36 32.60 19.73 1 0 12.31 -999 ? CL CL F2035 >TYR~F 112 80.32 37.88 21.99 80.47 40.63 22.04 80.40 39.25 22.02 3 0 9.99 -999 ? CL CL F2035 >VAL~F 113 84.04 35.03 19.80 85.59 33.70 20.68 84.82 34.37 20.24 3 0 11.67 -999 ? O2 GOL F3039 >ARG~F 114 81.94 30.32 15.98 81.85 27.28 16.31 81.89 28.80 16.15 2 0 18.29 -999 ? CL CL F2035 >PHE~F 115 79.16 38.87 16.44 77.96 41.33 15.75 78.56 40.10 16.10 3 0 13.38 -999 ? O2 GOL F3039 >MET~F 116 83.85 39.32 17.06 82.97 41.47 19.16 83.41 40.40 18.11 2 0 -9.30 -999 ? O2 GOL F3039s >VAL~F 117 86.33 37.65 14.71 87.76 36.03 15.03 87.05 36.84 14.87 3 0 7.69 -999 ? O2 GOL F3039 >ASN~F 118 83.29 35.61 11.58 84.35 33.80 11.95 83.82 34.70 11.77 2 0 12.37 -999 ? O2 GOL F3039 >VAL~F 119 81.70 39.77 11.69 79.47 39.61 11.90 80.58 39.69 11.80 3 0 12.29 -999 ? O2 GOL F3039 >GLU.F 120 82.16 42.76 15.61 80.62 43.81 14.61 81.39 43.29 15.11 2 0 -11.16 -999 ? O2 GOL F3039s >GLY.F 121 86.99 41.57 12.14 86.85 41.72 12.88 86.92 41.64 12.51 1 0 6.26 -999 ? O2 GOL F3039 >ARG.F 122 88.42 43.62 18.77 88.84 45.09 21.41 88.63 44.36 20.09 2 0 -4.08 -999 ? O3 GOL F3039s >TYR.F 123 91.29 39.67 18.85 91.31 41.46 21.04 91.30 40.56 19.95 3 0 -3.90 -999 ? O3 GOL F3039s >THR.F 124 91.70 37.90 12.79 91.14 39.42 11.38 91.42 38.66 12.08 2 0 5.89 -999 ? O2 GOL F3039 >HIS.F 125 96.50 38.92 12.23 96.44 40.22 10.57 96.47 39.57 11.40 3 0 6.27 -999 ? C1 GOL F3039 >PHE.F 126 93.54 35.61 18.28 94.00 37.26 20.49 93.77 36.43 19.39 3 0 5.30 -999 ? CL CL F2034 >ASP.F 127 96.13 30.12 15.93 96.25 28.10 15.23 96.19 29.11 15.58 2 0 10.85 -999 ? CL CL F2034 >ALA.F 128 91.36 29.40 15.50 90.29 29.73 14.45 90.83 29.56 14.98 2 0 12.59 -999 ? CL CL F2034 >GLY.F 129 92.60 25.79 15.59 92.12 26.16 15.04 92.36 25.97 15.32 1 0 14.09 -999 ? CL CL F2034 >THR.F 130 90.64 22.94 13.99 91.64 21.15 14.79 91.14 22.05 14.39 2 0 18.78 -999 ? CL CL F2034 >HIS.F 131 86.97 21.37 16.19 87.42 19.33 15.94 87.20 20.35 16.06 3 0 21.33 -999 ? CL CL F2034 >GLY.F 132 86.82 27.58 14.96 86.95 27.14 15.66 86.89 27.36 15.31 1 0 16.08 -999 ? O2 GOL F3039 >PHE.F 133 88.20 30.77 18.11 90.12 32.49 17.02 89.16 31.63 17.56 3 0 11.60 -999 ? CL CL F2034 >ASN.F 134 84.48 24.50 19.28 83.57 23.00 20.51 84.02 23.75 19.90 2 0 19.08 -999 ? CL CL F2035 >ALA.F 135 87.72 24.37 22.89 88.08 25.22 24.08 87.90 24.79 23.48 2 0 17.61 -999 ? CL CL F2034 >GLN.F 136 86.13 20.53 21.17 86.99 18.92 19.96 86.56 19.73 20.57 2 0 22.54 -999 ? CL CL F2034 >THR.F 137 85.93 21.84 27.36 87.79 21.55 28.39 86.86 21.69 27.87 2 0 20.15 -999 ? CL CL F2035 >PRO.F 138 83.22 22.83 30.61 84.78 23.90 29.41 84.00 23.36 30.01 3 0 16.37 -999 ? CL CL F2035 >MET~F 139 87.04 27.51 29.84 89.59 26.01 28.57 88.32 26.76 29.21 2 0 18.17 -999 ? CL CL F2034 >TRP~F 140 83.02 31.96 33.59 82.83 34.93 31.09 82.93 33.45 32.34 3 0 8.92 -999 ? CL CL F2035 >GLU~F 141 84.56 28.39 36.54 84.29 26.85 38.03 84.43 27.62 37.28 2 0 15.85 -999 ? CL CL F2035 >LYS~F 142 89.94 29.13 34.00 95.25 27.31 34.06 92.60 28.22 34.03 2 0 19.20 -999 ? CL CL F2034 >TYR~F 143 89.42 31.84 29.55 89.79 30.44 27.17 89.61 31.14 28.36 3 0 15.09 -999 ? CL CL F2034 >GLN~F 144 86.06 33.92 35.15 85.92 35.17 33.44 85.99 34.55 34.30 2 0 11.49 -999 ? CL CL F2035 >ARG~F 145 91.49 29.42 38.83 93.62 28.28 40.76 92.56 28.85 39.80 2 0 19.97 -999 ? O3 GOL C3036 >MET~F 146 94.08 34.00 34.40 94.23 31.36 31.27 94.16 32.68 32.84 2 0 15.07 -999 ? CL CL F2034 >LEU~F 147 91.02 37.71 33.82 90.13 38.05 31.90 90.58 37.88 32.86 3 0 15.35 -999 ? O3 GOL F3039 >ASN~F 148 92.36 36.84 38.84 92.17 37.47 40.85 92.26 37.15 39.85 2 0 20.16 -999 ? CL CL F2035 >VAL~F 149 96.64 37.34 37.67 97.97 35.68 38.04 97.31 36.51 37.86 3 0 19.40 -999 ? CL CL F2034 >TRP~F 150 98.06 40.24 31.68 95.06 41.77 29.63 96.56 41.01 30.66 3 0 12.61 -999 ? CL CL F2034 >HIS~F 151 93.09 42.58 34.58 92.14 42.76 32.71 92.62 42.67 33.65 3 0 14.76 -999 ? O3 GOL F3039s >ALA~F 152 97.42 42.14 39.01 97.37 40.96 39.99 97.39 41.55 39.50 2 0 21.65 -999 ? CL CL F2034 >CYH~F 153 100.56 42.65 36.94 101.15 40.25 35.75 100.85 41.45 36.35 2 0 17.48 -999 ? CL CL F2034 >PRO.F 154 103.70 45.39 38.24 101.60 45.61 37.42 102.65 45.50 37.83 3 0 20.95 -999 ? CL CL F2023 >ARG.F 155 105.33 46.75 31.26 107.63 45.25 32.77 106.48 46.00 32.01 2 0 16.94 -999 ? CL CL F2023 >GLN.F 156 97.83 44.29 32.68 95.99 45.28 32.70 96.91 44.78 32.69 2 0 -14.31 -999 ? O3 GOL F3039s >TYR.F 157 100.15 45.18 26.97 97.32 45.17 26.68 98.73 45.17 26.83 3 0 -10.36 -999 ? O3 GOL F3039s >HIS.F 158 105.92 45.34 26.29 105.13 46.33 24.62 105.52 45.84 25.46 3 0 -10.90 -999 ? CL CL F2023s >LEU.F 159 104.21 39.59 30.34 102.19 39.92 30.93 103.20 39.75 30.64 3 0 12.58 -999 ? CL CL F2023 >SER~F 160 108.28 38.68 31.87 108.08 38.44 34.31 108.18 38.56 33.09 2 0 17.06 -999 ? CL CL F2023 >ALA~F 161 108.48 34.90 31.56 109.73 34.05 31.25 109.11 34.47 31.40 2 0 15.50 -999 ? CL CL F2023 >ASN~F 162 108.49 35.42 36.44 110.53 34.82 36.67 109.51 35.12 36.55 2 0 20.44 -999 ? CL CL F2023 >GLU~F 163 105.09 39.28 35.27 105.30 41.23 34.49 105.19 40.26 34.88 2 0 16.81 -999 ? CL CL F2023 >ILE~F 164 104.36 34.42 30.51 104.60 34.45 29.11 104.48 34.44 29.81 3 0 12.41 -999 ? CL CL F2023 >ASN~F 165 105.13 30.81 34.30 106.23 29.87 32.75 105.68 30.34 33.53 2 0 17.23 -999 ? CL CL F2023 >GLN~F 166 103.62 34.05 38.32 104.43 35.87 39.06 104.03 34.96 38.69 2 0 21.12 -999 ? CL CL F2023 >ILE~F 167 99.21 34.88 33.22 98.87 36.10 32.66 99.04 35.49 32.94 3 0 14.61 -999 ? CL CL F2034 >ILE~F 168 99.82 30.17 31.19 101.03 30.31 30.35 100.42 30.24 30.77 3 0 14.62 -999 ? CL CL F2034 >ASN~F 169 100.53 28.30 36.27 102.02 27.22 35.16 101.28 27.76 35.71 2 0 20.12 -999 ? CL CL F2034 >ALA~F 170 96.41 30.37 37.19 95.95 31.80 36.85 96.18 31.08 37.02 2 0 19.53 -999 ? CL CL F2034 >GLN.G 3 41.17 25.61 45.22 40.78 23.79 44.12 40.97 24.70 44.67 2 0 15.73 -999 ? CL CL C2006 >GLU.G 4 49.15 27.69 47.86 49.75 29.01 49.42 49.45 28.35 48.64 2 0 10.85 -999 ? CL CL C2006 >SER~G 5 48.74 24.76 44.23 50.16 24.34 42.28 49.45 24.55 43.25 2 0 14.82 -999 ? CL CL C2006 >THR~G 6 50.55 21.56 45.20 49.70 19.88 44.04 50.12 20.72 44.62 2 0 12.71 -999 ? CL CL C2006 >MET~G 7 53.66 23.21 43.63 53.74 23.35 39.37 53.70 23.28 41.50 2 0 17.94 -999 ? CL CL C2006 >GLU~G 8 52.64 27.90 45.53 51.09 29.23 45.95 51.87 28.57 45.74 2 0 13.62 -999 ? CL CL C2006 >MET~G 9 53.57 23.10 49.19 53.51 19.00 48.74 53.54 21.05 48.97 2 0 9.02 -999 ? CL CL C2006 >THR~G 10 56.12 23.29 51.94 55.14 23.98 53.68 55.63 23.63 52.81 2 0 6.85 -999 ? CL CL C2006 >ASN~G 11 60.32 20.98 52.71 61.40 21.45 50.92 60.86 21.22 51.82 2 0 12.45 -999 ? O1 GOL C3021 >ALA~G 12 57.06 19.49 55.65 56.60 20.32 56.85 56.83 19.90 56.25 2 0 6.86 -999 ? CL CL C2006 >GLN~G 13 52.42 20.82 53.85 51.41 22.53 53.08 51.92 21.67 53.47 2 0 -4.28 -999 ? CL CL C2006s >ARG~G 14 57.32 18.45 47.88 59.70 19.45 46.16 58.51 18.95 47.02 2 0 14.57 -999 ? CL CL C2006 >LEU~G 15 58.27 15.32 54.86 59.85 14.23 55.87 59.06 14.77 55.36 3 0 11.25 -999 ? CL CL C2006 >ILE~G 16 52.92 15.23 55.52 52.09 15.92 56.44 52.50 15.57 55.98 3 0 6.09 -999 ? CL CL C2006 >LEU~G 17 52.63 14.21 50.34 50.76 15.19 49.73 51.70 14.70 50.03 3 0 9.33 -999 ? CL CL C2004 >SER~G 18 55.84 11.08 50.81 58.15 10.49 50.68 57.00 10.78 50.74 2 0 11.79 -999 ? CL CL C2004 >ASN~G 19 55.28 9.85 55.47 57.22 10.47 56.18 56.25 10.16 55.83 2 0 8.62 -999 ? CL CL C2004 >GLN~G 20 50.06 10.40 53.95 48.42 11.67 53.49 49.24 11.03 53.72 2 0 -4.48 -999 ? CL CL C2004s >TYR~G 21 52.17 8.74 48.00 50.23 10.55 47.07 51.20 9.64 47.53 3 0 10.57 -999 ? CL CL C2004 >LYS~G 22 55.06 4.83 51.67 60.67 7.73 52.68 57.87 6.28 52.18 2 0 13.25 -999 ? CL CL C2004 >MET~G 23 52.31 3.79 54.11 51.63 5.92 57.54 51.97 4.85 55.83 2 0 5.36 -999 ? CL CL C2004 >MET~G 24 49.84 3.14 51.30 48.22 6.83 50.16 49.03 4.99 50.73 2 0 8.45 -999 ? CL CL C2004 >THR~G 25 52.38 0.78 49.71 54.12 1.05 48.47 53.25 0.92 49.09 2 0 14.27 -999 ? CL CL C2004 >MET~G 26 52.68 -1.12 53.01 54.90 1.04 55.74 53.79 -0.04 54.37 2 0 11.41 -999 ? CL CL C2004 >LEU~G 27 48.03 -0.09 53.75 47.67 0.67 55.73 47.85 0.29 54.74 3 0 10.62 -999 ? CL CL C2004 >ASP~G 28 47.14 -0.91 49.29 46.12 -1.37 47.54 46.63 -1.14 48.42 2 0 15.85 -999 ? CL CL C2004 >PRO.G 29 50.75 -5.30 49.39 50.57 -3.33 48.33 50.66 -4.32 48.86 3 0 17.35 -999 ? CL CL C2004 >ALA.G 30 48.76 -4.41 44.96 47.26 -4.74 45.11 48.01 -4.57 45.03 2 0 19.83 -999 ? CL CL C2004 >ASN~G 31 47.68 0.09 44.37 45.83 -0.65 43.56 46.76 -0.28 43.96 2 0 18.27 -999 ? CL CL C2004 >ALA~G 32 52.53 -0.04 44.80 53.52 -1.08 45.14 53.02 -0.56 44.97 2 0 17.75 -999 ? CL CL C2004 >GLU~G 33 52.99 1.16 38.63 52.43 0.05 36.89 52.71 0.61 37.76 2 0 23.63 -999 ? CL CL C2004 >ARG~G 34 46.76 3.66 41.28 45.52 3.22 38.51 46.14 3.44 39.90 2 0 20.84 -999 ? CL CL C2004 >TYR~G 35 50.35 3.70 46.66 47.74 2.77 47.00 49.05 3.23 46.83 3 0 13.11 -999 ? CL CL C2004 >ARG~G 36 57.05 1.30 44.33 57.17 -1.56 45.49 57.11 -0.13 44.91 2 0 19.13 -999 ? CL CL C2004 >ARG~G 37 52.62 7.45 38.03 50.95 9.97 37.63 51.79 8.71 37.83 2 0 20.29 -999 ? CL CL C2004 >LEU~G 38 51.92 9.48 43.97 50.02 9.88 43.04 50.97 9.68 43.51 3 0 14.47 -999 ? CL CL C2004 >GLN~G 39 57.38 8.28 47.63 58.36 6.55 48.34 57.87 7.41 47.98 2 0 14.03 -999 ? CL CL C2004 >THR~G 40 58.58 10.16 43.07 59.55 8.96 41.61 59.07 9.56 42.34 2 0 19.51 -999 ? CL CL C2004 >ILE~G 41 55.12 13.09 41.28 54.05 13.19 40.39 54.58 13.14 40.84 3 0 18.13 -999 ? CL CL C2004 >ILE~G 42 55.53 14.06 46.47 54.58 15.11 46.63 55.05 14.59 46.55 3 0 13.11 -999 ? CL CL C2006 >GLU~G 43 59.87 11.86 47.66 60.57 9.92 48.07 60.22 10.89 47.86 2 0 15.32 -999 ? CL CL C2004 >ARG~G 44 62.74 12.21 40.97 63.67 9.49 39.89 63.20 10.85 40.43 2 0 17.70 -999 ? O1 GOL C3021 >GLY~G 45 59.08 17.96 42.67 59.32 17.47 42.06 59.20 17.71 42.36 1 0 16.95 -999 ? O1 GOL C3021 >TYR~G 46 59.15 15.00 38.38 61.31 13.33 37.94 60.23 14.17 38.16 3 0 19.36 -999 ? O1 GOL C3021 >GLY~G 47 56.28 20.43 38.24 56.18 19.76 37.82 56.23 20.09 38.03 1 0 19.59 -999 ? CL CL C2006 >LEU~G 48 54.73 18.67 34.01 53.52 18.49 32.17 54.13 18.58 33.09 3 0 24.13 -999 ? CL CL C2006 >GLN~G 49 53.91 14.01 36.43 55.26 14.63 34.91 54.59 14.32 35.67 2 0 -23.35 -999 ? CL CL C2006s >MET~G 50 52.30 18.36 40.31 55.42 19.30 42.72 53.86 18.83 41.51 2 0 15.18 -999 ? CL CL C2006 >ARG~G 51 49.60 22.70 34.88 49.12 25.71 35.34 49.36 24.21 35.11 2 0 21.90 -999 ? CL CL C2006 >GLU~G 52 49.29 16.65 35.00 50.30 14.93 34.20 49.80 15.79 34.60 2 0 -23.30 -999 ? CL CL C2006s >LEU~G 53 48.65 16.58 41.77 49.40 14.79 42.70 49.02 15.69 42.24 3 0 15.42 -999 ? CL CL C2006 >ASP~G 54 46.65 21.52 40.60 48.29 22.27 41.77 47.47 21.90 41.19 2 0 15.07 -999 ? CL CL C2006 >ARG~G 55 44.23 21.19 35.75 42.00 23.24 36.25 43.12 22.22 36.00 2 0 22.00 -999 ? CL CL C2006 >GLU.G 56 43.97 14.81 40.22 44.85 13.00 40.58 44.41 13.90 40.40 2 0 17.83 -999 ? CL CL C2004 >PHE.G 57 42.48 18.47 44.89 43.71 16.22 45.93 43.10 17.34 45.41 3 0 13.61 -999 ? CL CL C2006 >GLY.G 58 37.54 20.92 42.39 37.85 20.95 43.17 37.69 20.94 42.78 1 0 18.83 -999 ? CL CL C2006 >GLU.G 59 36.26 26.21 43.47 36.13 28.17 44.46 36.19 27.19 43.96 2 0 19.70 -999 ? CL CL C2006 >LEU.G 60 30.97 23.10 44.29 29.07 23.13 43.16 30.02 23.12 43.73 3 0 19.15 -999 ? O3 GOL G3038 >LYS~G 61 31.38 27.35 46.57 31.17 32.58 43.56 31.28 29.97 45.06 2 0 18.93 -999 ? O2 GOL G3001 >GLU~G 62 28.36 27.46 51.94 28.55 28.64 53.65 28.45 28.05 52.79 2 0 14.49 -999 ? O2 GOL G3001 >GLU~G 63 27.02 31.92 48.98 25.38 31.91 50.33 26.20 31.91 49.65 2 0 11.17 -999 ? O2 GOL G3001 >THR~G 64 26.50 27.63 44.88 27.71 27.61 43.08 27.10 27.62 43.98 2 0 16.57 -999 ? O2 GOL G3001 >CYH~G 65 25.79 24.41 46.90 28.22 23.20 47.62 27.00 23.81 47.26 2 0 16.39 -999 ? O3 GOL G3038 >ARG~G 66 24.09 28.03 51.86 24.32 26.69 54.64 24.21 27.36 53.25 2 0 11.24 -999 ? O2 GOL G3001s >THR~G 67 21.46 27.56 45.47 21.91 29.27 44.22 21.69 28.42 44.84 2 0 -11.16 -999 ? O2 GOL G3001s >ILE~G 68 22.45 23.06 43.75 23.35 22.37 42.95 22.90 22.72 43.35 3 0 13.91 -999 ? O3 GOL G3038 >ILE~G 69 20.08 22.70 48.56 20.55 22.08 49.68 20.32 22.39 49.12 3 0 9.44 -999 ? O3 GOL G3038 >ASP~G 70 17.70 27.34 47.09 16.19 28.71 47.73 16.94 28.02 47.41 2 0 -5.29 -999 ? C3 GOL G3001s >ILE~G 71 17.15 24.95 42.31 17.69 25.36 41.13 17.42 25.16 41.72 3 0 11.84 -999 ? C3 GOL G3001 >MET~G 72 15.30 21.56 44.54 18.36 18.76 44.37 16.83 20.16 44.45 2 0 8.90 -999 ? O3 GOL G3038 >GLU~G 73 12.93 24.13 49.80 12.04 22.49 50.80 12.49 23.31 50.30 2 0 5.63 -999 ? O1 GOL G3038 >MET~G 74 11.57 25.39 45.14 12.03 28.11 42.06 11.80 26.75 43.60 2 0 9.24 -999 ? O3 GOL G3001 >TYR~G 75 11.49 22.21 40.76 11.82 23.42 38.24 11.66 22.81 39.50 3 0 12.69 -999 ? CL CL G2033 >HIS~G 76 9.26 20.10 48.62 8.05 19.49 50.22 8.65 19.80 49.42 3 0 -3.85 -999 ? O1 GOL G3038s >ALA~G 77 7.15 23.73 47.01 7.71 25.14 47.31 7.43 24.44 47.16 2 0 7.25 -999 ? O3 GOL G3001 >LEU~G 78 6.74 24.19 42.15 7.29 26.11 41.24 7.01 25.15 41.70 3 0 10.95 -999 ? CL CL G2033 >HIS~G 79 5.20 17.85 42.65 4.12 16.10 42.26 4.66 16.97 42.45 3 0 -4.46 -999 ? CL CL G2033s >VAL~G 80 3.15 20.19 46.53 3.54 19.95 48.68 3.34 20.07 47.60 3 0 4.22 -999 ? CL CL G2033 >SER~G 81 1.35 23.42 45.68 2.61 25.29 46.56 1.98 24.36 46.12 2 0 9.39 -999 ? CL CL G2033 >TRP~G 82 0.44 21.52 38.76 0.42 17.60 39.04 0.43 19.56 38.90 3 0 9.22 -999 ? CL CL G2033 >SER~G 83 -0.88 18.73 43.69 0.20 17.85 45.68 -0.34 18.29 44.69 2 0 4.16 -999 ? CL CL G2033 >ASN~G 84 -2.25 21.18 47.67 -1.73 19.89 49.31 -1.99 20.54 48.49 2 0 7.24 -999 ? CL CL G2033 >LEU.G 85 -4.15 23.04 42.50 -3.26 25.03 42.09 -3.70 24.03 42.30 3 0 11.85 -999 ? CL CL G2033 >GLN.G 86 -9.18 23.88 46.27 -7.51 25.19 46.64 -8.35 24.54 46.46 2 0 14.57 -999 ? CL CL G2033 >ASP.G 87 -8.74 21.35 39.84 -7.97 19.40 39.36 -8.35 20.37 39.60 2 0 14.26 -999 ? CL CL G2033 >GLN.G 88 -3.95 20.86 39.72 -3.56 18.76 39.69 -3.76 19.81 39.71 2 0 10.52 -999 ? CL CL G2033 >GLN.G 89 -5.65 26.97 37.27 -7.02 28.60 37.59 -6.34 27.79 37.43 2 0 18.95 -999 ? CL CL G2033 >SER.G 90 -3.88 22.89 32.71 -5.53 22.71 30.84 -4.70 22.80 31.77 2 0 19.59 -999 ? CL CL G2033 >ILE.G 91 -0.10 23.87 35.78 0.40 24.84 36.71 0.15 24.35 36.24 3 0 13.89 -999 ? CL CL G2033 >ASP~G 92 2.22 20.23 31.66 3.30 18.41 31.31 2.76 19.32 31.48 2 0 15.60 -999 ? CL CL G2033 >GLU~G 93 3.64 16.49 37.62 3.03 14.55 38.23 3.34 15.52 37.93 2 0 8.63 -999 ? CL CL G2033 >ARG~G 94 8.15 17.84 30.29 11.01 16.64 30.23 9.58 17.24 30.26 2 0 18.02 -999 ? CL CL G2033 >ARG~G 95 5.43 23.41 31.57 5.00 26.51 31.76 5.22 24.96 31.66 2 0 18.33 -999 ? CL CL G2033 >VAL~G 96 6.63 21.67 38.13 4.50 21.81 38.70 5.56 21.74 38.41 3 0 10.26 -999 ? CL CL G2033 >THR~G 97 9.13 18.78 38.11 8.58 16.78 37.47 8.85 17.78 37.79 2 0 10.45 -999 ? CL CL G2033 >PHE.G 98 15.02 19.56 40.09 17.78 20.04 40.01 16.40 19.80 40.05 3 0 12.40 -999 ? C3 GOL G3038 >LEU.G 99 14.23 19.01 34.29 12.19 18.63 33.49 13.21 18.82 33.89 3 0 16.17 -999 ? CL CL G2033 >GLY.G 100 18.20 18.81 36.73 17.92 19.38 36.23 18.06 19.09 36.48 1 0 15.63 -999 ? C3 GOL G3038 >PHE.G 101 21.93 21.41 37.11 21.15 23.14 39.18 21.54 22.27 38.14 3 0 16.70 -999 ? O3 GOL G3038 >ASP.G 102 23.47 21.05 30.82 24.30 20.62 28.93 23.89 20.83 29.87 2 0 25.30 -999 ? O3 GOL G3038 >ALA.G 103 25.93 17.13 31.78 25.80 15.78 31.20 25.86 16.45 31.49 2 0 23.43 -999 ? O3 GOL G3038 >ALA.G 104 28.07 19.00 29.20 27.65 19.27 27.79 27.86 19.14 28.49 2 0 27.56 -999 ? O3 GOL G3038 >THR.G 105 28.24 22.56 30.52 26.99 23.47 29.06 27.61 23.01 29.79 2 0 24.65 -999 ? O1 GOL B3017 >GLU~G 106 24.93 23.55 33.32 22.94 24.09 33.51 23.94 23.82 33.42 2 0 21.38 -999 ? C3 GOL G3001 >ALA~G 107 28.71 19.00 35.28 30.01 18.45 34.61 29.36 18.73 34.95 2 0 23.34 -999 ? O3 GOL G3038 >ARG~G 108 32.32 22.84 38.36 31.62 25.53 39.73 31.97 24.19 39.04 2 0 22.05 -999 ? O2 GOL G3001 >TYR~G 109 25.80 23.55 38.48 27.03 26.02 38.21 26.42 24.78 38.35 3 0 19.47 -999 ? O2 GOL G3001 >LEU~G 110 24.88 17.34 36.71 23.89 15.60 35.89 24.38 16.47 36.30 3 0 18.36 -999 ? O3 GOL G3038 >GLY~G 111 27.21 16.05 40.27 26.64 16.59 40.51 26.93 16.32 40.39 1 0 17.21 -999 ? O3 GOL G3038 >TYR~G 112 26.10 19.68 45.15 26.07 20.41 47.86 26.08 20.04 46.51 3 0 13.62 -999 ? O3 GOL G3038 >VAL~G 113 22.40 17.00 42.69 20.87 17.65 41.28 21.63 17.32 41.98 3 0 12.24 -999 ? O3 GOL G3038 >ARG~G 114 24.45 12.48 38.95 24.54 11.96 35.94 24.50 12.22 37.44 2 0 19.08 -999 ? O3 GOL G3038 >PHE~G 115 27.25 14.43 47.20 28.45 14.44 49.76 27.85 14.43 48.48 3 0 13.99 -999 ? O3 GOL G3038 >MET~G 116 22.58 15.17 47.59 23.53 17.82 49.22 23.06 16.49 48.40 2 0 -9.82 -999 ? O3 GOL G3038s >VAL~G 117 20.07 12.50 46.43 18.60 12.55 44.85 19.33 12.53 45.64 3 0 8.40 -999 ? O3 GOL G3038 >ASN~G 118 23.11 9.07 44.97 21.97 9.06 43.17 22.54 9.06 44.07 2 0 13.16 -999 ? O3 GOL G3038 >VAL~G 119 24.69 9.99 49.12 26.87 10.23 48.96 25.78 10.11 49.04 3 0 13.00 -999 ? O3 GOL G3038 >GLU.G 120 24.27 14.49 51.28 25.51 14.14 52.97 24.89 14.31 52.12 2 0 -11.42 -999 ? O3 GOL G3038s >GLY.G 121 19.46 10.82 50.81 19.56 11.63 50.72 19.51 11.23 50.77 1 0 7.09 -999 ? O3 GOL G3038 >ARG.G 122 18.11 17.77 51.41 17.63 20.64 52.34 17.87 19.21 51.87 2 0 -6.12 -999 ? O3 GOL G3038s >TYR.G 123 15.30 16.99 47.49 15.28 19.49 48.80 15.29 18.24 48.15 3 0 -4.47 -999 ? O3 GOL G3038s >THR.G 124 14.67 10.75 47.06 15.29 9.72 48.89 14.98 10.23 47.98 2 0 6.15 -999 ? C3 GOL G3038 >HIS.G 125 9.81 10.31 48.06 9.47 8.80 49.48 9.64 9.55 48.77 3 0 6.66 -999 ? C2 GOL G3038 >PHE.G 126 12.87 15.71 43.66 12.52 18.19 44.88 12.70 16.95 44.27 3 0 6.96 -999 ? O1 GOL G3038 >ASP.G 127 10.22 12.11 38.73 10.33 11.10 36.86 10.27 11.60 37.79 2 0 12.80 -999 ? CL CL G2033 >ALA.G 128 14.98 11.60 38.42 15.98 10.56 38.85 15.48 11.08 38.63 2 0 13.29 -999 ? C3 GOL G3038 >GLY.G 129 15.32 11.77 34.67 15.32 11.08 35.12 15.32 11.42 34.89 1 0 16.82 -999 ? C3 GOL G3038 >THR.G 130 15.42 9.03 32.16 14.36 9.45 30.32 14.89 9.24 31.24 2 0 20.58 -999 ? CL CL G2033 >HIS.G 131 19.23 10.55 30.25 18.64 9.92 28.33 18.94 10.24 29.29 3 0 23.01 -999 ? C3 GOL G3038 >GLY.G 132 19.28 10.80 36.53 19.22 11.38 35.96 19.25 11.09 36.25 1 0 16.31 -999 ? C3 GOL G3038 >PHE.G 133 18.18 14.54 38.93 16.36 13.72 40.86 17.27 14.13 39.90 3 0 11.92 -999 ? C3 GOL G3038 >ASN.G 134 21.73 14.27 32.50 22.54 15.11 30.68 22.13 14.69 31.59 2 0 22.43 -999 ? C3 GOL G3038 >ALA.G 135 18.49 17.87 31.65 18.29 19.28 32.20 18.39 18.57 31.92 2 0 19.98 -999 ? C3 GOL G3038 >GLN.G 136 20.23 15.37 28.19 19.18 13.96 26.96 19.70 14.66 27.57 2 0 24.84 -999 ? C3 GOL G3038 >THR.G 137 20.34 21.70 28.27 18.47 22.70 27.98 19.40 22.20 28.12 2 0 24.74 -999 ? CL CL G2033 >PRO.G 138 23.00 25.07 28.59 21.46 24.13 29.88 22.23 24.60 29.24 3 0 24.57 -999 ? C3 GOL G3001 >MET~G 139 19.29 25.36 33.38 16.82 23.85 32.19 18.05 24.60 32.78 2 0 20.43 -999 ? C3 GOL G3001 >TRP~G 140 23.50 29.78 36.87 23.65 28.03 40.35 23.58 28.91 38.61 3 0 16.58 -999 ? O2 GOL G3001 >GLU~G 141 21.81 32.02 32.76 22.04 33.29 31.00 21.92 32.65 31.88 2 0 19.33 -999 ? O1 GOL B3017 >LYS~G 142 16.44 29.60 34.10 15.26 26.17 28.78 15.85 27.89 31.44 2 0 22.79 -999 ? C3 GOL G3001 >TYR~G 143 16.97 25.90 37.77 16.51 23.33 36.84 16.74 24.61 37.30 3 0 15.53 -999 ? C3 GOL G3001 >GLN~G 144 20.40 31.78 38.43 20.75 30.54 40.14 20.58 31.16 39.28 2 0 13.62 -999 ? C3 GOL G3001 >ARG~G 145 15.17 34.68 33.42 15.78 32.53 31.28 15.48 33.60 32.35 2 0 20.03 -999 ? C3 GOL G3001 >MET~G 146 12.47 31.14 38.84 12.11 27.41 37.00 12.29 29.27 37.92 2 0 14.31 -999 ? O3 GOL G3001 >LEU~G 147 15.50 31.30 42.68 16.42 29.43 43.36 15.96 30.36 43.02 3 0 8.67 -999 ? C3 GOL G3001 >ASN~G 148 14.30 36.21 40.84 16.27 36.90 41.19 15.29 36.55 41.02 2 0 12.10 -999 ? C1 GOL G3001 >VAL~G 149 9.95 35.05 41.48 8.73 35.02 39.66 9.34 35.03 40.57 3 0 11.47 -999 ? O3 GOL G3001 >TRP~G 150 8.65 29.73 45.56 11.64 28.04 47.47 10.14 28.88 46.51 3 0 4.79 -999 ? O3 GOL G3001 >HIS~G 151 13.55 33.19 47.26 14.46 31.35 47.64 14.00 32.27 47.45 3 0 -4.14 -999 ? C3 GOL G3001s >ALA~G 152 9.21 37.42 45.99 9.23 38.09 44.63 9.22 37.76 45.31 2 0 9.67 -999 ? C1 GOL G3001 >CYH~G 153 6.06 35.44 46.92 5.44 33.82 44.74 5.75 34.63 45.83 2 0 9.03 -999 ? O3 GOL G3001 >PRO.G 154 3.05 37.24 49.48 5.13 36.42 49.72 4.09 36.83 49.60 3 0 9.55 -999 ? O3 GOL G3001 >ARG.G 155 1.41 31.05 53.14 0.04 33.40 54.68 0.73 32.23 53.91 2 0 12.01 -999 ? O3 GOL G3001 >GLN.G 156 8.33 31.51 50.57 9.87 32.77 49.98 9.10 32.14 50.28 2 0 -2.79 -999 ? O3 GOL G3001s >TYR.G 157 6.53 26.08 51.42 9.33 25.84 51.41 7.93 25.96 51.42 3 0 5.49 -999 ? O3 GOL G3001 >HIS.G 158 0.65 25.49 51.61 1.26 23.82 52.74 0.96 24.65 52.17 3 0 10.64 -999 ? CL CL G2033 >LEU.G 159 2.35 28.46 45.20 4.40 29.00 45.58 3.37 28.73 45.39 3 0 9.64 -999 ? O3 GOL G3001 >SER~G 160 -1.79 29.81 44.03 -1.44 32.17 43.54 -1.62 30.99 43.78 2 0 14.64 -999 ? O3 GOL G3001 >ALA~G 161 -1.82 28.71 40.37 -2.95 28.01 39.60 -2.39 28.36 39.98 2 0 15.51 -999 ? CL CL G2033 >ASN~G 162 -1.80 33.61 39.96 -0.92 35.33 39.04 -1.36 34.47 39.50 2 0 17.59 -999 ? O3 GOL G3001 >GLU~G 163 1.42 33.23 43.78 1.39 32.97 45.86 1.40 33.10 44.82 2 0 11.22 -999 ? O3 GOL G3001 >ILE~G 164 2.09 27.55 40.29 1.87 26.14 40.65 1.98 26.84 40.47 3 0 12.66 -999 ? CL CL G2033 >ASN~G 165 1.33 30.61 35.97 0.19 28.96 35.28 0.76 29.79 35.62 2 0 17.67 -999 ? CL CL G2033 >GLN~G 166 2.96 35.06 38.24 2.53 36.35 39.90 2.75 35.70 39.07 2 0 15.15 -999 ? O3 GOL G3001 >ILE~G 167 7.31 30.25 39.94 7.61 29.95 41.28 7.46 30.10 40.61 3 0 10.95 -999 ? O3 GOL G3001 >ILE~G 168 6.56 27.36 35.67 5.32 26.62 36.22 5.94 26.99 35.94 3 0 15.56 -999 ? CL CL G2033 >ASN~G 169 5.90 31.93 32.74 4.21 30.61 32.57 5.05 31.27 32.65 2 0 19.61 -999 ? O3 GOL G3001 >ALA.G 170 10.14 33.28 34.54 10.49 33.27 36.03 10.31 33.27 35.29 2 0 15.18 -999 ? O3 GOL G3001 >GLN.H 3 60.52 62.00 79.39 60.48 60.97 77.46 60.50 61.49 78.42 2 0 13.91 -999 ? CL CL D2008 >GLU.H 4 53.12 64.06 78.47 52.04 62.20 78.33 52.58 63.13 78.40 2 0 9.25 -999 ? CL CL D2008 >SER~H 5 54.36 68.26 80.15 53.37 70.50 80.04 53.87 69.38 80.09 2 0 14.31 -999 ? O3 GOL H3006 >THR~H 6 51.85 68.31 82.99 52.64 69.57 84.61 52.24 68.94 83.80 2 0 12.54 -999 ? O3 GOL H3006 >MET~H 7 49.55 70.05 80.50 50.69 73.79 79.25 50.12 71.92 79.87 2 0 12.78 -999 ? O1 GOL H3006 >GLU~H 8 50.67 67.41 76.56 52.70 67.57 75.98 51.69 67.49 76.27 2 0 14.54 -999 ? CL CL D2008 >MET~H 9 48.42 64.64 81.63 47.84 65.94 85.53 48.13 65.29 83.58 2 0 8.93 -999 ? CL CL D2008 >THR~H 10 45.37 62.41 81.44 46.07 60.39 81.41 45.72 61.40 81.43 2 0 6.78 -999 ? CL CL D2008 >ASN~H 11 40.80 62.96 83.01 40.13 64.68 81.92 40.46 63.82 82.46 2 0 13.03 -999 ? CL CL D2008 >ALA~H 12 43.08 59.98 85.58 43.41 58.56 85.13 43.24 59.27 85.36 2 0 6.84 -999 ? CL CL D2008 >GLN~H 13 48.18 60.60 85.02 49.55 60.67 83.40 48.86 60.64 84.21 2 0 -4.25 -999 ? CL CL D2008s >ARG~H 14 44.51 67.63 85.23 43.02 69.63 83.32 43.77 68.63 84.28 2 0 14.44 -999 ? CL CL D2008 >LEU~H 15 41.39 62.00 89.21 39.57 61.62 90.31 40.48 61.81 89.76 3 0 11.27 -999 ? CL CL D2008 >ILE~H 16 46.29 60.39 90.48 46.98 59.16 90.24 46.64 59.77 90.36 3 0 6.13 -999 ? CL CL D2008 >LEU~H 17 47.52 65.47 90.66 49.61 65.50 89.97 48.56 65.48 90.32 3 0 9.27 -999 ? CL CL H2005 >SER~H 18 43.82 66.34 93.10 41.47 66.92 93.11 42.65 66.63 93.11 2 0 11.79 -999 ? CL CL H2005 >ASN~H 19 43.13 61.95 95.23 41.19 61.49 94.39 42.16 61.72 94.81 2 0 8.65 -999 ? CL CL H2005 >GLN~H 20 48.55 62.41 95.38 50.46 62.25 94.50 49.50 62.33 94.94 2 0 -4.42 -999 ? CL CL H2005s >TYR~H 21 47.46 68.84 95.61 49.74 68.96 94.05 48.60 68.90 94.83 3 0 10.50 -999 ? CL CL H2005 >LYS~H 22 43.36 66.64 99.44 38.17 66.18 95.68 40.77 66.41 97.56 2 0 13.32 -999 ? CL CL H2005 >MET~H 23 45.29 64.04 101.47 45.50 60.09 100.20 45.39 62.07 100.83 2 0 5.42 -999 ? CL CL H2005 >MET~H 24 48.19 66.41 101.98 50.50 66.57 98.54 49.34 66.49 100.26 2 0 8.44 -999 ? CL CL H2005 >THR~H 25 45.72 68.93 103.47 44.39 70.46 102.71 45.06 69.69 103.09 2 0 14.27 -999 ? CL CL H2005 >MET~H 26 44.42 66.19 105.84 42.10 63.34 103.86 43.26 64.77 104.85 2 0 11.26 -999 ? CL CL H2005 >LEU~H 27 49.00 64.56 105.98 48.99 62.41 105.68 49.00 63.48 105.83 3 0 10.63 -999 ? CL CL H2005 >ASP~H 28 50.63 68.82 106.06 51.93 70.45 106.39 51.28 69.63 106.22 2 0 15.80 -999 ? CL CL H2005 >PRO.H 29 46.21 70.21 109.59 47.07 70.80 107.57 46.64 70.51 108.58 3 0 17.24 -999 ? CL CL H2005 >ALA.H 30 49.06 74.15 108.36 50.40 74.01 109.11 49.73 74.08 108.73 2 0 20.07 -999 ? CL CL H2005 >ASN~H 31 51.10 73.51 104.06 52.89 74.15 105.02 52.00 73.83 104.54 2 0 16.72 -999 ? O3 GOL H3006 >ALA~H 32 46.31 73.93 103.35 45.12 74.04 104.17 45.72 73.99 103.76 2 0 17.62 -999 ? C3 GOL H3006 >GLU~H 33 48.05 79.48 100.95 48.41 81.47 101.74 48.23 80.47 101.35 2 0 12.50 -999 ? C3 GOL H3006 >ARG~H 34 53.27 74.94 100.30 54.87 77.69 100.34 54.07 76.32 100.32 2 0 11.22 -999 ? O3 GOL H3006 >TYR~H 35 48.71 70.98 100.43 50.94 70.32 101.95 49.82 70.65 101.19 3 0 13.05 -999 ? CL CL H2005 >ARG~H 36 41.35 74.42 97.84 39.90 73.17 95.49 40.63 73.79 96.66 2 0 15.68 -999 ? C3 GOL H3006 >ARG~H 37 49.12 78.88 94.88 51.18 78.27 92.74 50.15 78.57 93.81 2 0 -4.44 -999 ? O3 GOL H3006s >LEU~H 38 48.88 72.51 94.08 51.03 72.92 94.01 49.95 72.71 94.04 3 0 9.82 -999 ? O3 GOL H3006 >GLN~H 39 42.49 70.35 94.66 41.13 70.22 96.35 41.81 70.28 95.50 2 0 14.12 -999 ? CL CL H2005 >THR~H 40 42.82 74.43 91.84 41.92 76.27 92.54 42.37 75.35 92.19 2 0 11.57 -999 ? C3 GOL H3006 >ILE~H 41 47.09 74.83 89.53 48.36 75.44 89.53 47.73 75.14 89.53 3 0 7.64 -999 ? C3 GOL H3006 >ILE~H 42 45.58 69.77 89.40 46.64 69.17 88.68 46.11 69.47 89.04 3 0 13.17 -999 ? CL CL D2008 >GLU~H 43 40.68 69.93 90.74 39.73 70.17 92.61 40.21 70.05 91.67 2 0 15.40 -999 ? CL CL H2005 >ARG~H 44 39.82 76.81 88.50 38.54 78.60 90.61 39.18 77.71 89.55 2 0 13.32 -999 ? O2 GOL H3006 >GLY~H 45 43.89 73.11 84.12 43.73 73.84 84.49 43.81 73.47 84.30 1 0 12.88 -999 ? C3 GOL H3006 >TYR~H 46 44.32 77.88 86.23 42.00 79.10 87.14 43.16 78.49 86.68 3 0 9.48 -999 ? O2 GOL H3006 >GLY~H 47 48.04 76.16 81.66 48.12 76.70 82.26 48.08 76.43 81.96 1 0 10.10 -999 ? C2 GOL H3006 >LEU~H 48 50.15 80.37 82.93 51.66 81.90 82.99 50.90 81.14 82.96 3 0 5.04 -999 ? O1 GOL H3006 >GLN~H 49 49.55 79.01 88.02 48.67 80.55 86.81 49.11 79.78 87.42 2 0 -4.02 -999 ? C2 GOL H3006s >MET~H 50 51.10 73.91 84.88 47.59 72.07 83.69 49.35 72.99 84.29 2 0 12.03 -999 ? C3 GOL H3006 >ARG~H 51 55.75 78.18 80.83 58.67 78.05 79.79 57.21 78.12 80.31 2 0 -11.05 -999 ? O1 GOL H3006s >GLU~H 52 54.90 78.91 86.42 53.66 80.21 87.52 54.28 79.56 86.97 2 0 -2.46 -999 ? O3 GOL H3006s >LEU~H 53 53.90 72.15 87.61 52.51 72.13 89.32 53.20 72.14 88.47 3 0 8.95 -999 ? O3 GOL H3006 >ASP~H 54 56.87 71.80 83.08 55.07 70.98 82.33 55.97 71.39 82.70 2 0 12.64 -999 ? O3 GOL H3006 >ARG~H 55 60.33 75.55 82.58 59.37 73.14 80.81 59.85 74.34 81.70 2 0 13.48 -999 ? O3 GOL H3006 >GLU.H 56 58.45 73.39 90.18 56.86 73.32 91.53 57.66 73.35 90.85 2 0 8.74 -999 ? O3 GOL H3006 >PHE.H 57 59.41 67.80 87.69 57.58 67.55 89.79 58.49 67.68 88.74 3 0 13.65 -999 ? CL CL D2008 >GLY.H 58 65.05 68.68 85.82 64.63 67.97 85.93 64.84 68.32 85.88 1 0 17.64 -999 ? O3 GOL H3006 >GLU.H 59 68.06 65.41 81.65 68.51 66.61 79.97 68.28 66.01 80.81 2 0 16.22 -999 ? O2 GOL H3016 >LEU.H 60 71.40 65.22 85.75 73.55 65.77 86.04 72.48 65.49 85.90 3 0 12.93 -999 ? O3 GOL H3016 >LYS~H 61 71.37 62.08 82.00 69.43 63.00 77.17 70.40 62.54 79.59 2 0 14.53 -999 ? O2 GOL H3016 >GLU~H 62 73.13 56.32 83.46 72.69 54.40 82.74 72.91 55.36 83.10 2 0 6.87 -999 ? C1 GOL H3025 >GLU~H 63 75.79 57.78 79.22 77.22 56.21 79.74 76.50 57.00 79.48 2 0 5.58 -999 ? O3 GOL H3016 >THR~H 64 76.53 62.70 82.65 75.84 64.64 82.09 76.18 63.67 82.37 2 0 8.97 -999 ? O2 GOL H3016 >CYH~H 65 76.07 61.41 86.23 73.30 61.42 86.86 74.68 61.42 86.54 2 0 10.66 -999 ? O3 GOL H3016 >ARG~H 66 77.19 55.44 84.09 76.02 53.18 85.87 76.60 54.31 84.98 2 0 -3.23 -999 ? O1 GOL H3025s >THR~H 67 81.07 61.13 84.03 81.35 62.09 82.15 81.21 61.61 83.09 2 0 -3.39 -999 ? O2 GOL H3016s >ILE~H 68 79.67 63.99 87.71 78.90 65.08 87.96 79.28 64.53 87.84 3 0 9.36 -999 ? O3 GOL H3016 >ILE~H 69 80.66 59.07 89.54 79.77 58.30 90.23 80.22 58.69 89.89 3 0 8.12 -999 ? O3 GOL H3016 >ASP~H 70 84.24 58.93 85.48 85.73 57.59 84.66 84.99 58.26 85.07 2 0 -4.05 -999 ? C3 GOL H3016s >ILE~H 71 85.46 64.02 86.96 85.22 65.13 86.31 85.34 64.57 86.64 3 0 8.08 -999 ? O2 GOL H3016 >MET~H 72 85.97 62.20 91.08 82.51 63.60 92.94 84.24 62.90 92.01 2 0 11.07 -999 ? CL CL H2014 >GLU~H 73 87.54 56.19 90.14 87.78 55.44 92.11 87.66 55.81 91.13 2 0 -8.72 -999 ? CL CL H2014s >MET~H 74 90.11 60.11 88.43 90.93 62.49 85.12 90.52 61.30 86.77 2 0 8.42 -999 ? O1 GOL H3016 >TYR~H 75 90.64 65.09 90.65 91.11 67.21 88.98 90.88 66.15 89.81 3 0 10.27 -999 ? CL CL H2014 >HIS~H 76 90.35 57.57 94.69 91.06 55.99 95.89 90.71 56.78 95.29 3 0 4.68 -999 ? CL CL H2014s >ALA~H 77 93.56 57.80 91.48 93.28 57.22 90.10 93.42 57.51 90.79 2 0 8.84 -999 ? CL CL H2014 >LEU~H 78 95.15 62.26 90.26 95.18 62.92 88.14 95.17 62.59 89.20 3 0 9.95 -999 ? CL CL H2014 >HIS~H 79 95.19 63.20 96.60 95.96 63.87 98.43 95.58 63.53 97.52 3 0 4.82 -999 ? CL CL H2024 >VAL~H 80 96.53 58.45 95.73 95.40 56.64 96.32 95.96 57.55 96.02 3 0 -3.72 -999 ? CL CL H2024s >SER~H 81 99.24 58.01 93.04 98.20 57.10 91.00 98.72 57.55 92.02 2 0 9.05 -999 ? CL CL H2024 >TRP~H 82 101.51 64.78 93.60 100.79 65.58 97.38 101.15 65.18 95.49 3 0 9.25 -999 ? CL CL H2024 >SER~H 83 100.86 60.76 97.52 99.44 59.04 98.47 100.15 59.90 97.99 2 0 4.17 -999 ? CL CL H2024 >ASN~H 84 102.16 56.25 96.45 100.56 55.72 97.69 101.36 55.99 97.07 2 0 6.41 -999 ? CL CL H2024 >LEU.H 85 105.33 60.41 93.93 104.61 60.14 91.92 104.97 60.27 92.93 3 0 11.62 -999 ? CL CL H2024 >GLN.H 86 110.20 57.34 97.56 108.85 55.69 97.26 109.52 56.51 97.41 2 0 14.06 -999 ? CL CL H2024 >ASP.H 87 108.61 60.74 92.20 109.31 60.57 90.21 108.96 60.65 91.20 2 0 16.75 -999 ? CL CL H2024 >GLN.H 88 105.39 63.94 95.82 104.62 65.12 97.44 105.01 64.53 96.63 2 0 11.22 -999 ? CL CL H2024 >GLN.H 89 108.65 64.62 89.42 109.59 64.51 87.49 109.12 64.56 88.45 2 0 19.31 -999 ? CL CL H2024 >SER.H 90 107.20 69.48 92.25 108.76 70.84 93.47 107.98 70.16 92.86 2 0 18.77 -999 ? CL CL H2024 >ILE.H 91 103.04 67.23 90.87 102.73 66.49 89.94 102.88 66.86 90.40 3 0 14.04 -999 ? CL CL H2024 >ASP~H 92 101.24 72.29 93.07 100.11 73.39 94.44 100.68 72.84 93.75 2 0 15.85 -999 ? CL CL H2024 >GLU~H 93 97.56 68.07 97.57 97.65 67.50 99.59 97.61 67.78 98.58 2 0 8.72 -999 ? CL CL H2024 >ARG~H 94 95.40 74.55 93.00 92.97 76.33 93.68 94.19 75.44 93.34 2 0 16.71 -999 ? CL CL H2014 >ARG~H 95 99.22 72.04 88.85 99.19 71.48 85.82 99.20 71.76 87.34 2 0 18.32 -999 ? CL CL H2014 >VAL~H 96 95.72 66.67 92.03 97.59 65.63 92.40 96.65 66.15 92.22 3 0 9.76 -999 ? CL CL H2014 >THR~H 97 92.70 68.03 93.96 92.81 68.94 95.96 92.76 68.49 94.96 2 0 9.01 -999 ? CL CL H2014 >PHE.H 98 86.83 66.96 92.26 84.37 67.28 91.08 85.60 67.12 91.67 3 0 11.23 -999 ? CL CL H2014 >LEU.H 99 88.74 72.63 91.84 90.81 73.32 92.17 89.77 72.97 92.00 3 0 14.24 -999 ? CL CL H2014 >GLY.H 100 84.43 70.85 91.47 84.93 71.17 90.93 84.68 71.01 91.20 1 0 14.46 -999 ? CL CL H2014 >PHE.H 101 81.37 70.59 88.12 82.00 68.03 87.14 81.68 69.31 87.63 3 0 12.01 -999 ? O2 GOL H3016 >ASP.H 102 81.36 76.99 86.94 80.90 79.01 86.89 81.13 78.00 86.91 2 0 20.45 -999 ? O2 GOL H3016 >ALA.H 103 78.03 77.34 90.28 78.09 78.05 91.59 78.06 77.70 90.93 2 0 22.00 -999 ? O2 GOL H3016 >ALA.H 104 77.04 79.94 87.64 77.82 81.14 87.32 77.43 80.54 87.48 2 0 23.11 -999 ? O2 GOL H3016 >THR.H 105 77.10 77.81 84.44 78.78 78.74 83.52 77.94 78.27 83.98 2 0 19.76 -999 ? O2 GOL H3016 >GLU~H 106 79.71 74.06 84.56 81.75 73.57 84.59 80.73 73.81 84.57 2 0 14.51 -999 ? O2 GOL H3016 >ALA~H 107 74.84 74.21 88.46 73.65 75.20 88.59 74.24 74.71 88.53 2 0 19.88 -999 ? O2 GOL H3016 >ARG~H 108 71.22 70.92 84.57 72.18 68.95 82.36 71.70 69.94 83.46 2 0 14.48 -999 ? O2 GOL H3016 >TYR~H 109 77.84 69.46 85.37 77.15 69.38 82.64 77.50 69.42 84.01 3 0 11.76 -999 ? O2 GOL H3016 >LEU~H 110 77.89 72.56 91.33 78.86 73.47 93.02 78.38 73.02 92.17 3 0 18.30 -999 ? O2 GOL H3016 >GLY~H 111 74.59 69.86 92.68 75.17 69.41 92.30 74.88 69.64 92.49 1 0 17.78 -999 ? O3 GOL H3016 >TYR~H 112 75.20 64.22 90.27 74.79 61.48 90.12 74.99 62.85 90.20 3 0 11.95 -999 ? O3 GOL H3016 >VAL~H 113 78.77 66.34 93.31 80.67 67.25 92.84 79.72 66.79 93.07 3 0 14.47 -999 ? O3 GOL H3016 >ARG~H 114 76.88 71.50 96.54 77.56 74.47 96.38 77.22 72.98 96.46 2 0 20.07 -999 ? CL CL H2014 >PHE~H 115 72.63 63.65 95.33 70.85 61.53 95.59 71.74 62.59 95.46 3 0 14.22 -999 ? O1 GOL H3025 >MET~H 116 77.10 62.28 95.87 76.30 60.19 93.53 76.70 61.24 94.70 2 0 10.63 -999 ? O1 GOL H3025 >VAL~H 117 79.22 63.46 98.82 80.94 64.77 98.88 80.08 64.12 98.85 3 0 12.21 -999 ? CL CL H2014 >ASN~H 118 76.05 66.21 101.09 77.62 67.71 101.06 76.83 66.96 101.07 2 0 16.13 -999 ? CL CL H2014 >VAL~H 119 73.73 62.40 100.55 71.77 62.88 99.68 72.75 62.64 100.11 3 0 16.89 -999 ? O1 GOL H3025 >GLU.H 120 74.48 59.31 96.72 72.63 58.20 97.00 73.56 58.76 96.86 2 0 -11.59 -999 ? C3 GOL H3025s >GLY.H 121 78.44 59.63 101.34 78.49 59.47 100.54 78.46 59.55 100.94 1 0 13.59 -999 ? CL CL H2014 >ARG.H 122 80.95 57.12 95.14 81.70 55.44 92.71 81.32 56.28 93.92 2 0 -8.72 -999 ? O1 GOL H3025s >TYR.H 123 84.40 60.41 95.89 84.67 58.62 93.77 84.54 59.52 94.83 3 0 -7.93 -999 ? CL CL H2014s >THR.H 124 83.88 62.10 101.94 82.55 60.81 103.10 83.21 61.46 102.52 2 0 10.34 -999 ? CL CL H2014 >HIS.H 125 88.12 60.23 103.63 87.33 59.09 105.21 87.72 59.66 104.42 3 0 7.36 -999 ? CL CL H2014 >PHE.H 126 87.37 63.88 97.09 87.99 62.15 95.02 87.68 63.01 96.05 3 0 5.28 -999 ? CL CL H2014 >ASP.H 127 90.18 69.09 100.25 90.25 71.19 100.79 90.21 70.14 100.52 2 0 11.27 -999 ? CL CL H2014 >ALA.H 128 85.67 70.52 99.37 84.40 70.42 100.15 85.03 70.47 99.76 2 0 12.60 -999 ? CL CL H2014 >GLY.H 129 87.45 73.88 99.29 86.89 73.62 99.80 87.17 73.75 99.54 1 0 14.25 -999 ? CL CL H2014 >THR.H 130 85.95 77.10 100.69 87.43 78.54 100.10 86.69 77.82 100.39 2 0 18.82 -999 ? CL CL H2014 >HIS.H 131 83.28 79.38 97.87 84.13 81.25 98.32 83.71 80.32 98.10 3 0 21.54 -999 ? CL CL H2014 >GLY.H 132 81.84 73.30 98.81 82.16 73.70 98.17 82.00 73.50 98.49 1 0 16.30 -999 ? CL CL H2014 >PHE.H 133 83.17 69.82 96.05 84.11 67.74 97.67 83.64 68.78 96.86 3 0 11.75 -999 ? CL CL H2014 >ASN.H 134 81.15 76.65 94.15 80.84 78.27 92.76 80.99 77.46 93.45 2 0 21.68 -999 ? CL CL H2014 >ALA.H 135 85.12 76.02 91.45 85.59 75.06 90.35 85.35 75.54 90.90 2 0 17.80 -999 ? CL CL H2014 >GLN.H 136 83.87 80.30 92.74 84.93 81.59 94.10 84.40 80.95 93.42 2 0 22.71 -999 ? CL CL H2014 >THR.H 137 85.13 78.73 86.82 87.21 78.57 86.35 86.17 78.65 86.58 2 0 20.16 -999 ? O2 GOL H3016 >PRO.H 138 83.04 78.16 83.10 84.05 76.81 84.62 83.54 77.48 83.86 3 0 18.10 -999 ? O2 GOL H3016 >MET~H 139 85.56 72.77 84.42 87.93 73.91 86.15 86.74 73.34 85.29 2 0 16.00 -999 ? O2 GOL H3016 >TRP~H 140 81.64 69.31 79.75 80.29 66.46 82.07 80.96 67.89 80.91 3 0 8.50 -999 ? O2 GOL H3016 >GLU~H 141 84.42 72.24 77.39 84.86 73.57 75.76 84.64 72.90 76.58 2 0 14.58 -999 ? O1 GOL H3016 >LYS~H 142 88.83 70.49 80.96 94.32 71.20 82.05 91.57 70.84 81.50 2 0 14.79 -999 ? O1 GOL H3016 >TYR~H 143 86.77 67.99 85.16 86.88 69.36 87.57 86.83 68.67 86.36 3 0 11.30 -999 ? O2 GOL H3016 >GLN~H 144 84.54 66.68 78.81 83.66 65.46 80.38 84.10 66.07 79.59 2 0 5.80 -999 ? O2 GOL H3016 >ARG~H 145 91.20 69.90 76.54 91.87 72.67 77.80 91.54 71.29 77.17 2 0 14.63 -999 ? O1 GOL H3016 >MET~H 146 91.87 64.91 81.55 91.78 67.57 84.80 91.83 66.24 83.18 2 0 11.55 -999 ? O1 GOL H3016 >LEU~H 147 88.11 61.83 81.36 86.71 61.66 83.01 87.41 61.75 82.19 3 0 4.12 -999 ? O1 GOL H3016 >ASN~H 148 90.74 62.26 76.80 90.93 61.43 74.87 90.83 61.84 75.83 2 0 6.95 -999 ? O1 GOL H3016 >VAL~H 149 94.43 60.99 78.97 96.02 62.49 78.97 95.23 61.74 78.97 3 0 9.67 -999 ? O1 GOL H3016 >TRP~H 150 93.76 57.94 85.12 90.09 57.13 86.33 91.93 57.54 85.72 3 0 9.03 -999 ? C1 GOL H3016 >HIS~H 151 89.33 56.65 80.95 87.93 56.76 82.51 88.63 56.71 81.73 3 0 4.32 -999 ? C1 GOL H3016s >ALA.H 152 94.56 56.01 77.77 95.01 57.16 76.77 94.78 56.59 77.27 2 0 9.73 -999 ? O1 GOL H3016 >CYH.H 153 97.03 55.04 80.47 97.67 57.42 81.76 97.35 56.23 81.12 2 0 12.27 -999 ? O1 GOL H3016 >PRO.H 154 99.45 51.77 79.07 97.57 51.99 80.28 98.51 51.88 79.67 3 0 14.75 -999 ? O1 GOL H3016 >ARG.H 155 99.48 50.13 87.00 102.10 51.31 85.80 100.79 50.72 86.40 2 0 17.02 -999 ? CL CL H2024 >GLN.H 156 93.11 53.95 84.03 91.11 53.67 83.58 92.11 53.81 83.80 2 0 -8.49 -999 ? C1 GOL H3016s >TYR.H 157 93.68 52.87 90.01 90.96 53.43 89.67 92.32 53.15 89.84 3 0 -11.04 -999 ? CL CL H2014s >HIS.H 158 98.94 51.80 92.35 97.68 51.03 93.84 98.31 51.41 93.10 3 0 10.33 -999 ? CL CL H2024 >LEU.H 159 99.48 57.40 87.82 97.61 57.56 86.72 98.55 57.48 87.27 3 0 12.60 -999 ? CL CL H2024 >SER~H 160 103.94 57.64 87.48 104.26 57.78 85.06 104.10 57.71 86.27 2 0 16.89 -999 ? CL CL H2024 >ALA~H 161 104.63 61.38 87.76 105.82 62.04 88.50 105.23 61.71 88.13 2 0 15.36 -999 ? CL CL H2024 >ASN~H 162 105.86 60.31 83.22 107.86 60.06 84.05 106.86 60.19 83.63 2 0 19.79 -999 ? CL CL H2024 >GLU~H 163 101.55 57.39 83.25 101.29 55.39 84.02 101.42 56.39 83.64 2 0 16.69 -999 ? O1 GOL H3016 >ILE~H 164 100.71 62.42 87.88 100.53 62.37 89.32 100.62 62.39 88.60 3 0 12.42 -999 ? CL CL H2024 >ASN~H 165 103.12 65.63 84.35 103.98 66.71 85.93 103.55 66.17 85.14 2 0 17.68 -999 ? CL CL H2024 >GLN~H 166 101.81 62.69 80.18 102.06 60.81 79.30 101.93 61.75 79.74 2 0 16.27 -999 ? O1 GOL H3016 >ILE~H 167 96.28 62.99 84.00 95.76 61.86 84.44 96.02 62.43 84.22 3 0 11.75 -999 ? O1 GOL H3016 >ILE~H 168 97.38 67.71 86.09 98.32 67.27 87.20 97.85 67.49 86.65 3 0 14.97 -999 ? CL CL H2014 >ASN~H 169 99.54 69.25 81.25 100.84 70.03 82.78 100.19 69.64 82.01 2 0 18.72 -999 ? O1 GOL H3016 >ALA.H 170 95.42 68.01 79.25 94.50 66.81 79.47 94.96 67.41 79.36 2 0 11.39 -999 ? O1 GOL H3016 >GLN.I 3 180.34 195.70 156.97 181.98 197.09 156.54 181.16 196.40 156.75 2 0 15.83 -999 ? CL CL I2007 >GLU.I 4 172.87 194.13 159.37 171.68 193.98 161.14 172.28 194.05 160.25 2 0 9.55 -999 ? CL CL I2007 >SER~I 5 173.95 195.88 155.40 172.73 195.96 153.27 173.34 195.92 154.33 2 0 14.81 -999 ? CL CL I2007 >THR~I 6 171.97 199.09 155.63 172.84 200.61 154.38 172.40 199.85 155.01 2 0 12.66 -999 ? CL CL I2007 >MET~I 7 169.24 197.06 153.92 169.59 196.08 149.83 169.41 196.57 151.87 2 0 17.92 -999 ? CL CL I2007 >GLU~I 8 170.22 193.07 156.46 171.58 191.67 157.15 170.90 192.37 156.81 2 0 13.89 -999 ? CL CL I2007 >MET~I 9 168.30 198.12 159.34 168.35 202.07 158.21 168.33 200.10 158.77 2 0 8.99 -999 ? CL CL I2007 >THR~I 10 165.31 198.24 161.61 166.01 197.94 163.60 165.66 198.09 162.61 2 0 6.86 -999 ? CL CL I2007 >ASN~I 11 161.01 200.49 161.41 160.17 199.75 159.57 160.59 200.12 160.49 2 0 13.03 -999 ? CL CL I2007 >ALA~I 12 163.83 202.57 164.46 164.22 201.92 165.78 164.02 202.25 165.12 2 0 6.71 -999 ? CL CL I2007 >GLN~I 13 168.78 201.19 163.60 169.88 199.41 163.32 169.33 200.30 163.46 2 0 -4.26 -999 ? CL CL I2007s >ARG~I 14 165.05 201.86 156.79 162.79 201.13 154.81 163.92 201.50 155.80 2 0 14.48 -999 ? CL CL I2007 >LEU~I 15 162.63 206.55 162.70 161.02 207.87 163.35 161.82 207.21 163.03 3 0 11.28 -999 ? CL CL I2007 >ILE~I 16 167.82 206.90 164.21 168.42 206.45 165.36 168.12 206.67 164.78 3 0 6.12 -999 ? CL CL I2007 >LEU~I 17 168.87 207.18 158.99 170.83 206.16 158.94 169.85 206.67 158.97 3 0 9.25 -999 ? CL CL I2001 >SER~I 18 165.61 210.23 158.54 163.35 210.76 157.95 164.48 210.50 158.25 2 0 11.75 -999 ? CL CL I2001 >ASN~I 19 165.40 212.09 163.02 163.35 211.60 163.50 164.37 211.85 163.26 2 0 8.69 -999 ? CL CL I2001 >GLN~I 20 170.79 211.46 162.38 172.55 210.27 162.37 171.67 210.86 162.38 2 0 -4.40 -999 ? CL CL I2001s >TYR~I 21 169.47 212.28 156.01 171.53 210.49 155.65 170.50 211.39 155.83 3 0 10.49 -999 ? CL CL I2001 >LYS~I 22 166.16 216.63 158.59 160.45 213.84 159.02 163.31 215.24 158.80 2 0 13.37 -999 ? CL CL I2001 >MET~I 23 168.54 218.05 161.26 168.72 216.49 165.05 168.63 217.27 163.15 2 0 5.34 -999 ? CL CL I2001 >MET~I 24 171.41 218.26 158.77 173.17 214.52 158.36 172.29 216.39 158.56 2 0 8.38 -999 ? CL CL I2001 >THR~I 25 169.12 220.33 156.43 167.59 219.85 154.97 168.36 220.09 155.70 2 0 14.23 -999 ? CL CL I2001 >MET~I 26 168.31 222.67 159.35 165.73 221.05 162.19 167.02 221.86 160.77 2 0 11.40 -999 ? CL CL I2001 >LEU~I 27 172.82 221.99 160.89 172.90 221.51 163.01 172.86 221.75 161.95 3 0 10.61 -999 ? CL CL I2001 >ASP~I 28 174.34 221.90 156.42 175.71 222.11 154.83 175.03 222.00 155.62 2 0 15.71 -999 ? CL CL I2001 >PRO.I 29 170.73 226.37 155.50 171.07 224.30 154.73 170.90 225.33 155.11 3 0 17.28 -999 ? CL CL I2001 >ALA.I 30 173.09 224.80 151.36 174.53 225.24 151.50 173.81 225.02 151.43 2 0 19.94 -999 ? CL CL I2001 >ASN~I 31 174.31 220.26 151.67 176.20 220.84 150.96 175.25 220.55 151.31 2 0 18.18 -999 ? CL CL I2001 >ALA~I 32 169.46 220.32 151.45 168.41 221.36 151.42 168.94 220.84 151.43 2 0 17.74 -999 ? CL CL I2001 >GLU~I 33 169.93 218.13 145.49 171.04 218.83 143.72 170.48 218.48 144.60 2 0 23.50 -999 ? CL CL I2001 >ARG~I 34 175.86 216.47 149.42 177.66 216.28 146.86 176.76 216.37 148.14 2 0 20.72 -999 ? CL CL I2001 >TYR~I 35 171.46 216.91 154.12 173.98 218.04 154.69 172.72 217.48 154.41 3 0 13.03 -999 ? CL CL I2001 >ARG~I 36 163.77 216.28 151.02 161.75 213.99 150.84 162.76 215.13 150.93 2 0 18.35 -999 ? CL CL I2001 >ARG~I 37 170.53 211.87 145.98 172.22 209.35 146.21 171.38 210.61 146.09 2 0 20.23 -999 ? CL CL I2001 >LEU~I 38 170.42 210.70 152.18 172.48 210.28 151.56 171.45 210.49 151.87 3 0 14.46 -999 ? CL CL I2001 >GLN~I 39 164.42 212.29 154.80 163.50 214.27 154.92 163.96 213.28 154.86 2 0 14.06 -999 ? CL CL I2001 >THR~I 40 164.01 209.65 150.43 163.30 210.57 148.61 163.65 210.11 149.52 2 0 19.54 -999 ? CL CL I2001 >ILE~I 41 167.78 206.61 149.64 168.97 206.48 148.96 168.37 206.54 149.30 3 0 18.12 -999 ? CL CL I2001 >ILE~I 42 166.60 206.53 154.84 167.49 205.60 155.41 167.05 206.06 155.13 3 0 13.10 -999 ? CL CL I2007 >GLU~I 43 161.95 208.67 154.98 161.14 210.63 154.95 161.55 209.65 154.96 2 0 15.44 -999 ? CL CL I2001 >ARG~I 44 160.24 207.09 148.05 159.51 209.54 146.34 159.87 208.31 147.20 2 0 23.41 -999 ? CL CL I2001 >GLY~I 45 163.74 201.85 151.32 163.59 202.25 150.62 163.66 202.05 150.97 1 0 17.06 -999 ? CL CL I2007 >TYR~I 46 164.34 204.06 146.61 162.20 205.38 145.53 163.27 204.72 146.07 3 0 22.33 -999 ? CL CL I2007 >GLY~I 47 167.33 198.92 147.98 167.43 199.47 147.42 167.38 199.19 147.70 1 0 19.37 -999 ? CL CL I2007 >LEU~I 48 169.49 200.01 143.70 171.02 199.90 142.17 170.25 199.95 142.94 3 0 23.97 -999 ? CL CL I2007 >GLN~I 49 169.91 205.02 145.21 168.70 204.10 143.69 169.30 204.56 144.45 2 0 -23.38 -999 ? CL CL I2007s >MET~I 50 170.90 201.39 150.20 167.37 200.66 152.23 169.13 201.02 151.21 2 0 15.05 -999 ? CL CL I2007 >ARG~I 51 174.23 196.17 146.19 174.71 193.30 147.29 174.47 194.74 146.74 2 0 21.58 -999 ? CL CL I2007 >GLU~I 52 174.67 202.46 145.17 173.69 203.91 143.96 174.18 203.19 144.57 2 0 -23.17 -999 ? CL CL I2007s >LEU~I 53 174.33 203.49 151.96 173.32 205.39 152.11 173.83 204.44 152.03 3 0 15.37 -999 ? CL CL I2007 >ASP~I 54 176.64 198.53 151.72 174.93 197.89 152.71 175.78 198.21 152.21 2 0 15.17 -999 ? CL CL I2007 >ARG~I 55 179.74 197.90 148.59 178.27 195.79 150.32 179.00 196.85 149.46 2 0 19.02 -999 ? CL CL I2007 >GLU.I 56 178.97 205.20 150.86 177.96 206.96 151.01 178.46 206.08 150.93 2 0 17.30 -999 ? CL CL I2001 >PHE.I 57 179.90 202.43 156.03 178.42 204.75 156.44 179.16 203.59 156.24 3 0 13.63 -999 ? CL CL I2007 >GLY.I 58 185.16 199.62 154.81 184.82 199.83 155.56 184.99 199.73 155.18 1 0 18.81 -999 ? CL CL I2007 >GLU.I 59 186.59 195.61 159.01 186.55 193.49 159.24 186.57 194.55 159.13 2 0 16.14 -999 ? O2 GOL I3032 >LEU.I 60 191.63 198.36 157.98 193.66 198.32 157.24 192.64 198.34 157.61 3 0 13.14 -999 ? O2 GOL I3032 >LYS~I 61 190.91 194.56 160.97 192.19 189.31 159.02 191.55 191.93 159.99 2 0 10.96 -999 ? O1 GOL I3032 >GLU~I 62 193.02 195.43 166.68 192.61 194.52 168.53 192.82 194.97 167.60 2 0 9.77 -999 ? O2 GOL I3032 >GLU~I 63 195.05 190.75 164.81 196.51 190.81 166.36 195.78 190.78 165.59 2 0 5.33 -999 ? O2 GOL I3032 >THR~I 64 196.10 194.26 160.17 195.16 193.85 158.25 195.63 194.05 159.21 2 0 8.93 -999 ? O1 GOL I3032 >CYH~I 65 196.35 197.77 161.61 193.75 198.94 161.74 195.05 198.36 161.68 2 0 10.79 -999 ? O2 GOL I3032 >ARG~I 66 197.40 195.23 167.36 196.57 196.87 169.82 196.98 196.05 168.59 2 0 8.20 -999 ? O2 GOL I3032 >THR~I 67 200.92 194.71 161.46 200.82 192.87 160.46 200.87 193.79 160.96 2 0 -3.29 -999 ? O1 GOL I3032s >ILE~I 68 200.10 198.79 158.89 199.32 199.29 157.84 199.71 199.04 158.37 3 0 9.37 -999 ? C1 GOL I3032 >ILE~I 69 201.55 200.11 163.86 200.88 200.97 164.73 201.22 200.54 164.30 3 0 8.33 -999 ? O2 GOL I3032 >ASP~I 70 204.37 195.46 163.61 205.75 194.30 164.79 205.06 194.88 164.20 2 0 -3.65 -999 ? C2 GOL I3032s >ILE~I 71 205.58 197.07 158.62 205.25 196.44 157.43 205.41 196.75 158.02 3 0 7.55 -999 ? C1 GOL I3032 >MET~I 72 206.92 200.89 160.49 203.80 203.47 159.43 205.36 202.18 159.96 2 0 8.26 -999 ? O1 GOL I3031 >GLU~I 73 208.30 199.46 166.53 209.06 201.27 167.27 208.68 200.36 166.90 2 0 -6.03 -999 ? O3 GOL I3031s >MET~I 74 210.68 197.53 162.31 210.80 194.28 159.76 210.74 195.91 161.03 2 0 8.74 -999 ? C1 GOL I3032 >TYR~I 75 211.34 199.93 157.52 211.50 198.33 155.24 211.42 199.13 156.38 3 0 10.32 -999 ? CL CL I2015 >HIS~I 76 212.11 203.51 165.19 213.01 204.42 166.85 212.56 203.96 166.02 3 0 4.17 -999 ? O3 GOL I3031s >ALA~I 77 214.62 199.75 164.52 214.07 198.37 164.98 214.34 199.06 164.75 2 0 9.03 -999 ? CL CL I2015 >LEU~I 78 215.94 198.51 160.02 215.47 196.54 159.24 215.71 197.53 159.63 3 0 10.18 -999 ? CL CL I2015 >HIS~I 79 216.99 204.94 159.50 218.07 206.60 158.77 217.53 205.77 159.14 3 0 -4.56 -999 ? CL CL I2025s >VAL~I 80 218.34 203.57 164.17 217.45 204.22 166.05 217.89 203.90 165.11 3 0 4.00 -999 ? CL CL I2025 >SER~I 81 220.47 200.38 164.21 219.13 198.61 165.10 219.80 199.50 164.66 2 0 9.15 -999 ? CL CL I2025 >TRP~I 82 222.70 201.25 157.47 222.56 205.13 157.06 222.63 203.19 157.27 3 0 8.94 -999 ? CL CL I2025 >SER~I 83 222.83 204.85 161.89 221.39 205.66 163.52 222.11 205.26 162.70 2 0 4.12 -999 ? CL CL I2025 >ASN~I 84 223.75 203.10 166.30 222.73 204.63 167.34 223.24 203.86 166.82 2 0 7.02 -999 ? CL CL I2025 >LEU.I 85 226.49 200.35 162.04 225.64 198.39 161.74 226.07 199.37 161.89 3 0 11.75 -999 ? CL CL I2025 >GLN.I 86 232.76 201.75 164.54 233.84 200.69 166.01 233.30 201.22 165.28 2 0 17.72 -999 ? CL CL I2025 >ASP.I 87 232.01 199.04 160.23 232.46 198.34 158.27 232.23 198.69 159.25 2 0 18.10 -999 ? CL CL I2025 >GLN.I 88 226.77 202.59 158.71 226.03 204.48 158.06 226.40 203.54 158.38 2 0 10.32 -999 ? CL CL I2025 >GLN.I 89 229.51 196.30 157.91 229.64 194.33 158.74 229.58 195.31 158.32 2 0 18.36 -999 ? CL CL I2025 >SER.I 90 228.08 199.54 152.75 230.21 199.39 151.51 229.15 199.46 152.13 2 0 19.04 -999 ? CL CL I2025 >ILE.I 91 223.86 198.39 155.06 223.32 197.58 156.00 223.59 197.98 155.53 3 0 13.65 -999 ? CL CL I2025 >ASP~I 92 222.01 200.70 150.15 220.98 202.18 149.11 221.50 201.44 149.63 2 0 15.56 -999 ? CL CL I2025 >GLU~I 93 219.77 205.57 155.06 219.86 207.68 155.25 219.81 206.63 155.16 2 0 8.40 -999 ? CL CL I2025 >ARG~I 94 216.21 203.80 147.44 213.68 202.45 146.18 214.94 203.13 146.81 2 0 17.03 -999 ? CL CL I2015 >ARG~I 95 219.42 197.06 150.20 219.02 193.99 150.58 219.22 195.52 150.39 2 0 18.52 -999 ? CL CL I2015 >VAL~I 96 216.51 200.50 155.85 218.48 200.49 156.93 217.50 200.49 156.39 3 0 9.78 -999 ? CL CL I2015 >THR~I 97 214.00 203.11 154.73 214.55 205.07 153.95 214.28 204.09 154.34 2 0 8.89 -999 ? CL CL I2015 >PHE.I 98 207.94 202.24 155.85 205.25 201.61 155.56 206.60 201.93 155.70 3 0 11.14 -999 ? CL CL I2015 >LEU.I 99 209.53 201.81 150.19 211.63 201.97 149.59 210.58 201.89 149.89 3 0 14.05 -999 ? CL CL I2015 >GLY.I 100 205.29 202.15 152.01 205.70 201.55 151.69 205.50 201.85 151.85 1 0 14.37 -999 ? CL CL I2015 >PHE.I 101 201.72 199.29 152.26 202.23 197.96 154.63 201.98 198.63 153.45 3 0 11.99 -999 ? O1 GOL I3032 >ASP.I 102 201.10 198.54 145.88 200.66 198.62 143.82 200.88 198.58 144.85 2 0 20.44 -999 ? O1 GOL I3032 >ALA.I 103 198.53 202.47 145.78 198.83 203.71 144.96 198.68 203.09 145.37 2 0 22.10 -999 ? O1 GOL I3032 >ALA.I 104 196.91 200.10 143.15 197.60 199.68 141.94 197.26 199.89 142.54 2 0 23.01 -999 ? O1 GOL I3032 >THR.I 105 196.67 196.85 145.06 198.08 195.68 144.00 197.38 196.27 144.53 2 0 19.75 -999 ? O1 GOL I3032 >GLU~I 106 199.46 196.34 148.59 201.47 195.97 149.14 200.47 196.15 148.87 2 0 14.47 -999 ? O1 GOL I3032 >ALA~I 107 195.26 201.05 149.03 194.08 201.40 148.06 194.67 201.22 148.55 2 0 19.76 -999 ? O1 GOL I3032 >ARG~I 108 191.22 197.47 152.14 191.76 195.04 153.98 191.49 196.26 153.06 2 0 14.30 -999 ? O1 GOL I3032 >TYR~I 109 197.73 197.22 153.29 196.64 194.65 153.36 197.19 195.94 153.32 3 0 11.79 -999 ? O1 GOL I3032 >LEU~I 110 198.75 203.21 150.66 200.08 204.73 149.80 199.42 203.97 150.23 3 0 17.73 -999 ? O1 GOL I3031 >GLY~I 111 195.73 204.82 153.51 196.31 204.37 153.92 196.02 204.60 153.72 1 0 16.84 -999 ? O1 GOL I3031 >TYR~I 112 196.16 202.11 159.00 195.80 201.93 161.71 195.98 202.02 160.36 3 0 12.20 -999 ? O2 GOL I3032 >VAL~I 113 200.11 204.66 156.86 201.91 203.95 155.80 201.01 204.30 156.33 3 0 11.68 -999 ? O1 GOL I3031 >ARG~I 114 198.65 208.42 151.97 199.12 208.35 148.94 198.89 208.39 150.45 2 0 18.68 -999 ? O1 GOL I3031 >PHE~I 115 194.46 207.52 159.95 192.75 208.01 162.11 193.60 207.77 161.03 3 0 13.99 -999 ? O1 GOL I3031 >MET~I 116 199.01 207.19 161.21 197.95 204.82 163.15 198.48 206.01 162.18 2 0 9.58 -999 ? O1 GOL I3031 >VAL~I 117 201.59 209.80 160.01 203.36 209.62 158.71 202.47 209.71 159.36 3 0 8.16 -999 ? O1 GOL I3031 >ASN~I 118 198.78 212.90 157.53 200.20 212.55 155.97 199.49 212.72 156.75 2 0 12.95 -999 ? O1 GOL I3031 >VAL~I 119 196.51 212.39 161.44 194.42 211.91 160.88 195.47 212.15 161.16 3 0 13.05 -999 ? O1 GOL I3031 >GLU.I 120 196.64 208.29 164.24 194.84 208.90 165.25 195.74 208.59 164.75 2 0 -11.94 -999 ? O1 GOL I3031s >GLY.I 121 201.38 212.19 164.10 201.27 211.38 164.18 201.32 211.79 164.14 1 0 7.09 -999 ? C1 GOL I3031 >ARG.I 122 202.92 205.52 166.02 203.30 202.90 167.57 203.11 204.21 166.80 2 0 -5.95 -999 ? O1 GOL I3031s >TYR.I 123 206.34 205.79 162.64 206.20 203.62 164.36 206.27 204.71 163.50 3 0 -3.81 -999 ? O1 GOL I3031s >THR.I 124 206.76 211.98 161.36 205.71 213.23 162.79 206.23 212.60 162.07 2 0 6.27 -999 ? C1 GOL I3031 >HIS.I 125 211.42 212.80 162.96 211.20 214.50 164.16 211.31 213.65 163.56 3 0 6.50 -999 ? O2 GOL I3031 >PHE.I 126 209.30 206.69 159.19 209.46 204.50 160.91 209.38 205.59 160.05 3 0 5.21 -999 ? CL CL I2015 >ASP.I 127 212.49 209.49 154.15 212.74 210.27 152.16 212.61 209.88 153.16 2 0 10.93 -999 ? CL CL I2015 >ALA.I 128 207.93 209.75 152.71 206.86 210.81 152.79 207.40 210.28 152.75 2 0 12.51 -999 ? CL CL I2015 >GLY.I 129 209.85 209.51 149.43 209.30 210.08 149.73 209.57 209.79 149.58 1 0 13.91 -999 ? CL CL I2015 >THR.I 130 208.27 211.26 146.42 209.71 210.80 144.88 208.99 211.03 145.65 2 0 18.52 -999 ? CL CL I2015 >HIS.I 131 205.05 208.81 144.12 206.00 208.92 142.25 205.53 208.86 143.19 3 0 21.12 -999 ? CL CL I2015 >GLY.I 132 203.89 209.98 150.21 204.10 209.32 149.73 204.00 209.65 149.97 1 0 16.04 -999 ? CL CL I2015 >PHE.I 133 204.83 206.82 153.45 206.25 207.95 155.53 205.54 207.38 154.49 3 0 11.49 -999 ? CL CL I2015 >ASN.I 134 202.50 205.66 146.54 201.90 204.42 144.84 202.20 205.04 145.69 2 0 21.46 -999 ? CL CL I2015 >ALA.I 135 205.79 202.14 146.97 205.93 200.92 147.82 205.86 201.53 147.40 2 0 17.77 -999 ? CL CL I2015 >GLN.I 136 204.91 203.99 142.85 205.73 205.35 141.39 205.32 204.67 142.12 2 0 22.70 -999 ? CL CL I2015 >THR.I 137 204.82 197.76 143.86 206.74 196.81 144.00 205.78 197.28 143.93 2 0 20.08 -999 ? O1 GOL I3032 >PRO.I 138 202.20 194.41 144.34 203.53 195.61 145.72 202.87 195.01 145.03 3 0 18.14 -999 ? O1 GOL I3032 >MET~I 139 205.15 195.15 149.68 207.78 196.59 148.63 206.46 195.87 149.15 2 0 16.09 -999 ? O1 GOL I3032 >TRP~I 140 200.60 190.99 153.07 199.64 193.20 156.12 200.12 192.09 154.60 3 0 8.49 -999 ? O1 GOL I3032 >GLU~I 141 203.00 188.32 149.96 202.87 186.91 148.25 202.93 187.61 149.10 2 0 15.06 -999 ? O1 GOL I3032 >LYS~I 142 208.03 191.18 151.66 205.16 191.96 148.66 206.60 191.57 150.16 2 0 14.36 -999 ? O1 GOL I3032 >TYR~I 143 206.55 195.37 154.41 207.09 197.83 153.23 206.82 196.60 153.82 3 0 11.25 -999 ? C1 GOL I3032 >GLN~I 144 203.35 189.41 155.57 202.68 190.98 156.90 203.01 190.20 156.23 2 0 5.83 -999 ? O1 GOL I3032 >ARG~I 145 209.45 186.59 151.83 209.12 188.26 149.20 209.28 187.42 150.52 2 0 15.37 -999 ? O1 GOL I3032 >MET~I 146 211.11 190.72 157.11 211.54 194.11 154.79 211.32 192.42 155.95 2 0 12.18 -999 ? C1 GOL I3032 >LEU~I 147 207.41 190.97 160.32 206.28 192.79 160.57 206.85 191.88 160.45 3 0 4.69 -999 ? C1 GOL I3032 >ASN~I 148 209.21 186.01 159.54 209.28 184.02 160.30 209.24 185.02 159.92 2 0 10.15 -999 ? O1 GOL I3032 >VAL~I 149 213.28 187.49 160.71 214.83 187.45 159.12 214.05 187.47 159.92 3 0 12.25 -999 ? C1 GOL I3032 >TRP~I 150 213.69 193.51 164.07 210.33 195.28 165.13 212.01 194.39 164.60 3 0 8.45 -999 ? O3 GOL I3032 >HIS~I 151 208.71 190.07 165.44 207.65 191.87 165.52 208.18 190.97 165.48 3 0 3.98 -999 ? O3 GOL I3032s >ALA~I 152 213.35 185.97 165.65 213.51 184.99 164.47 213.43 185.48 165.06 2 0 11.33 -999 ? O3 GOL I3032 >CYH~I 153 216.28 188.21 166.60 217.09 189.60 164.27 216.68 188.90 165.43 2 0 13.03 -999 ? O3 GOL I3032 >PRO.I 154 218.71 186.78 170.03 216.72 187.70 169.61 217.72 187.24 169.82 3 0 14.28 -999 ? O3 GOL I3032 >ARG.I 155 219.78 193.99 171.61 222.12 192.73 169.97 220.95 193.36 170.79 2 0 16.75 -999 ? CL CL I2025 >GLN.I 156 212.81 192.28 168.18 210.69 192.27 168.41 211.75 192.27 168.29 2 0 -6.58 -999 ? O3 GOL I3032s >TYR.I 157 214.62 198.06 169.41 211.87 198.21 168.94 213.24 198.13 169.18 3 0 -10.00 -999 ? O3 GOL I3031s >HIS.I 158 220.34 199.03 170.60 219.44 200.67 171.57 219.89 199.85 171.09 3 0 11.08 -999 ? CL CL I2025 >LEU.I 159 219.80 195.23 164.43 217.77 194.50 164.47 218.79 194.87 164.45 3 0 12.71 -999 ? CL CL I2025 >SER~I 160 224.13 194.24 164.29 224.18 191.82 163.94 224.15 193.03 164.11 2 0 16.96 -999 ? CL CL I2025 >ALA~I 161 224.96 194.71 160.62 226.33 195.13 160.07 225.65 194.92 160.35 2 0 15.43 -999 ? CL CL I2025 >ASN~I 162 225.18 189.96 161.14 225.82 188.37 160.00 225.50 189.16 160.57 2 0 21.04 -999 ? CL CL I2025 >GLU~I 163 221.15 190.35 164.07 220.95 190.90 166.06 221.05 190.63 165.06 2 0 16.56 -999 ? O3 GOL I3032 >ILE~I 164 220.86 195.43 159.36 220.92 196.89 159.41 220.89 196.16 159.38 3 0 12.42 -999 ? CL CL I2025 >ASN~I 165 222.61 191.79 155.96 223.80 193.47 155.29 223.21 192.63 155.62 2 0 17.28 -999 ? CL CL I2025 >GLN~I 166 220.47 187.37 158.82 220.07 186.40 160.66 220.27 186.88 159.74 2 0 17.50 -999 ? O3 GOL I3032 >ILE~I 167 215.92 192.24 158.90 215.43 192.73 160.10 215.68 192.49 159.50 3 0 13.08 -999 ? C1 GOL I3032 >ILE~I 168 217.18 194.58 154.39 218.30 195.55 154.94 217.74 195.07 154.66 3 0 14.92 -999 ? CL CL I2015 >ASN~I 169 218.60 189.48 152.52 220.34 190.74 152.17 219.47 190.11 152.35 2 0 20.31 -999 ? CL CL I2025 >ALA~I 170 214.24 188.20 153.84 213.48 188.46 155.16 213.86 188.33 154.50 2 0 13.63 -999 ? C1 GOL I3032 >GLN.J 3 161.15 178.34 140.07 160.70 179.03 138.08 160.93 178.69 139.07 2 0 20.77 -999 ? CL CL J2002 >GLU.J 4 168.79 175.22 142.74 169.68 173.24 142.98 169.24 174.23 142.86 2 0 18.84 -999 ? CL CL J2002 >SER~J 5 168.34 179.27 140.02 169.79 181.34 139.89 169.07 180.31 139.95 2 0 20.79 -999 ? CL CL J2002 >THR~J 6 170.77 178.50 137.22 170.18 179.68 135.49 170.48 179.09 136.36 2 0 16.66 -999 ? CL CL J2002 >MET~J 7 173.56 180.11 139.32 173.02 184.16 140.17 173.29 182.14 139.74 2 0 23.09 -999 ? CL CL J2002 >GLU~J 8 171.86 178.07 143.57 170.28 177.54 144.90 171.07 177.80 144.24 2 0 22.39 -999 ? CL CL J2002 >MET~J 9 173.79 174.44 139.09 174.27 175.19 135.02 174.03 174.82 137.05 2 0 13.27 -999 ? CL CL J2002 >THR~J 10 176.44 171.83 139.61 175.39 170.01 139.94 175.91 170.92 139.77 2 0 15.41 -999 ? CL CL J2002 >ASN~J 11 180.98 171.30 137.88 181.93 173.10 138.53 181.45 172.20 138.21 2 0 12.94 -999 ? O2 GOL N3044 >ALA~J 12 178.04 168.41 135.88 177.45 167.23 136.52 177.75 167.82 136.20 2 0 12.61 -999 ? CL CL J2002 >GLN~J 13 173.20 169.94 136.42 171.92 170.50 138.08 172.56 170.22 137.25 2 0 -13.24 -999 ? CL CL J2002s >ARG~J 14 178.00 176.13 135.20 179.89 178.17 136.63 178.95 177.15 135.91 2 0 16.47 -999 ? O2 GOL N3044 >LEU~J 15 179.93 169.49 131.90 181.57 168.58 130.89 180.75 169.04 131.39 3 0 11.39 -999 ? CL CL J2002 >ILE~J 16 174.71 168.58 131.05 173.88 167.56 131.51 174.29 168.07 131.28 3 0 6.69 -999 ? CL CL J2002 >LEU~J 17 174.24 173.77 130.10 172.24 174.18 130.76 173.24 173.98 130.43 3 0 9.23 -999 ? CL CL J2002 >SER~J 18 177.96 173.57 127.53 180.33 173.72 127.25 179.14 173.65 127.39 2 0 11.71 -999 ? CL CL J2002 >ASN~J 19 177.77 168.91 125.99 179.61 168.23 126.87 178.69 168.57 126.43 2 0 8.56 -999 ? CL CL J2002 >GLN~J 20 172.50 170.24 125.94 170.59 170.50 126.86 171.55 170.37 126.40 2 0 -4.39 -999 ? CL CL J2002s >TYR~J 21 174.52 176.28 124.74 172.25 177.04 126.20 173.38 176.66 125.47 3 0 10.46 -999 ? CL CL J2002 >LYS~J 22 178.14 172.91 121.18 183.42 172.10 124.71 180.78 172.50 122.94 2 0 13.36 -999 ? CL CL J2002 >MET~J 23 175.69 170.41 119.66 174.89 166.85 121.58 175.29 168.63 120.62 2 0 5.30 -999 ? CL CL J2002 >MET~J 24 173.17 173.19 118.87 170.94 174.12 122.22 172.06 173.65 120.55 2 0 8.41 -999 ? CL CL J2002 >THR~J 25 175.93 174.96 116.91 177.46 176.37 117.35 176.70 175.66 117.13 2 0 14.26 -999 ? CL CL J2002 >MET~J 26 176.68 171.74 115.04 178.54 168.76 117.27 177.61 170.25 116.15 2 0 11.18 -999 ? CL CL J2002 >LEU~J 27 171.91 170.91 115.30 171.48 168.98 116.16 171.70 169.95 115.73 3 0 10.41 -999 ? CL CL J2002 >ASP~J 28 170.87 175.19 114.50 169.74 176.91 114.00 170.30 176.05 114.25 2 0 15.67 -999 ? CL CL J2002 >PRO.J 29 174.97 175.52 110.46 174.53 176.41 112.45 174.75 175.97 111.45 3 0 17.34 -999 ? CL CL J2002 >ALA.J 30 172.85 179.89 111.46 171.54 179.85 110.75 172.20 179.87 111.11 2 0 19.97 -999 ? CL CL J2002 >ASN~J 31 171.02 180.04 115.82 169.37 180.80 114.74 170.19 180.42 115.28 2 0 18.09 -999 ? CL CL J2002 >ALA~J 32 175.83 179.83 116.42 176.99 179.45 115.55 176.41 179.64 115.98 2 0 17.36 -999 ? CL CL J2002 >GLU~J 33 176.38 185.90 117.21 176.25 187.26 115.55 176.31 186.58 116.38 2 0 23.63 -999 ? CL CL J2002 >ARG~J 34 169.79 183.14 118.82 167.66 185.29 119.35 168.72 184.22 119.08 2 0 20.21 -999 ? CL CL J2002 >TYR~J 35 173.30 177.82 119.58 170.88 177.40 118.29 172.09 177.61 118.94 3 0 13.02 -999 ? CL CL J2002 >ARG~J 36 181.40 180.11 121.45 182.70 178.85 123.93 182.05 179.48 122.69 2 0 16.92 -999 ? CL CL J2002 >ARG~J 37 174.71 186.35 123.78 172.76 186.51 126.11 173.74 186.43 124.95 2 0 20.17 -999 ? CL CL J2002 >LEU~J 38 173.95 180.32 125.62 171.92 181.23 125.76 172.93 180.78 125.69 3 0 14.47 -999 ? CL CL J2002 >GLN~J 39 179.76 176.88 125.14 180.93 176.37 123.44 180.34 176.63 124.29 2 0 13.98 -999 ? CL CL J2002 >THR~J 40 180.38 181.41 127.33 181.48 183.05 126.32 180.93 182.23 126.82 2 0 19.50 -999 ? CL CL J2002 >ILE~J 41 176.42 182.89 129.69 175.30 183.72 129.61 175.86 183.30 129.65 3 0 17.98 -999 ? CL CL J2002 >ILE~J 42 176.89 177.75 130.53 175.84 177.33 131.44 176.37 177.54 130.98 3 0 13.39 -999 ? CL CL J2002 >GLU~J 43 181.82 176.83 128.99 182.77 176.54 127.14 182.30 176.68 128.07 2 0 15.36 -999 ? CL CL J2002 >ARG~J 44 183.90 183.73 130.13 185.30 184.88 127.66 184.60 184.30 128.89 2 0 18.91 -999 ? O3 GOL N3044 >GLY~J 45 179.59 181.42 135.19 179.83 182.04 134.73 179.71 181.73 134.96 1 0 18.52 -999 ? O2 GOL N3044 >TYR~J 46 179.84 185.88 132.40 182.31 186.48 131.15 181.07 186.18 131.77 3 0 20.74 -999 ? O3 GOL N3044 >GLY~J 47 176.07 185.57 137.17 176.08 186.03 136.56 176.08 185.80 136.87 1 0 22.93 -999 ? CL CL J2002 >LEU~J 48 174.67 189.88 135.40 173.46 191.64 135.11 174.06 190.76 135.25 3 0 26.38 -999 ? CL CL J2002 >GLN~J 49 174.68 187.74 130.59 175.97 189.20 131.45 175.33 188.47 131.02 2 0 24.01 -999 ? CL CL J2002 >MET~J 50 172.48 183.49 134.53 175.65 181.22 135.86 174.06 182.36 135.19 2 0 18.58 -999 ? CL CL J2002 >ARG~J 51 168.80 189.12 137.91 166.15 189.45 139.46 167.47 189.28 138.69 2 0 27.44 -999 ? CL CL J2002 >GLU~J 52 169.71 188.73 132.35 170.94 189.67 130.91 170.33 189.20 131.63 2 0 -23.89 -999 ? CL CL J2002s >LEU~J 53 169.30 181.87 132.16 170.51 181.25 130.52 169.90 181.56 131.34 3 0 16.31 -999 ? CL CL J2002 >ASP~J 54 166.52 182.87 136.75 168.05 181.78 137.64 167.29 182.32 137.20 2 0 19.87 -999 ? CL CL J2002 >ARG~J 55 163.85 187.29 136.52 164.25 185.16 138.77 164.05 186.22 137.65 2 0 24.05 -999 ? CL CL J2002 >GLU.J 56 164.69 183.53 129.34 166.31 182.92 128.17 165.50 183.22 128.76 2 0 17.48 -999 ? CL CL J2002 >PHE.J 57 163.11 178.57 132.86 164.69 177.55 130.81 163.90 178.06 131.83 3 0 15.22 -999 ? CL CL J2002 >GLY.J 58 157.87 180.66 134.88 158.15 179.86 134.79 158.01 180.26 134.84 1 0 21.75 -999 ? CL CL J2002 >GLU.J 59 155.32 177.68 139.49 156.41 177.56 141.35 155.86 177.62 140.42 2 0 24.47 -999 ? CL CL J2002 >LEU.J 60 150.98 178.31 135.67 149.09 179.37 135.39 150.03 178.84 135.53 3 0 18.91 -999 ? O1 GOL J3030 >LYS~J 61 150.81 175.94 139.88 149.98 178.29 145.35 150.39 177.11 142.62 2 0 25.33 -999 ? O1 GOL J3030 >GLU~J 62 148.05 170.40 139.46 148.28 168.51 140.38 148.17 169.46 139.92 2 0 19.29 -999 ? O1 GOL J3030 >GLU~J 63 145.93 173.07 143.61 144.33 171.59 143.32 145.13 172.33 143.47 2 0 19.53 -999 ? O1 GOL J3033 >THR~J 64 145.87 177.29 139.35 146.97 179.14 139.64 146.42 178.21 139.49 2 0 19.68 -999 ? O1 GOL J3030 >CYH~J 65 145.81 175.40 136.06 148.53 174.85 135.29 147.17 175.13 135.68 2 0 16.27 -999 ? O1 GOL J3030 >ARG~J 66 143.81 170.22 139.23 144.43 167.54 137.80 144.12 168.88 138.52 2 0 -15.15 -999 ? O1 GOL J3030s >THR~J 67 140.95 176.39 138.48 140.95 177.60 140.30 140.95 177.00 139.39 2 0 17.03 -999 ? O1 GOL J3030 >ILE~J 68 142.61 178.37 134.36 143.52 179.29 133.79 143.06 178.83 134.07 3 0 13.67 -999 ? O1 GOL J3030 >ILE~J 69 140.63 173.45 133.37 141.30 172.42 132.73 140.97 172.94 133.05 3 0 9.22 -999 ? O1 GOL J3030 >ASP~J 70 137.44 174.60 137.57 135.80 173.80 138.69 136.62 174.20 138.13 2 0 11.68 -999 ? O1 GOL J3033 >ILE~J 71 136.99 179.46 135.36 137.37 180.67 135.86 137.18 180.07 135.61 3 0 13.78 -999 ? CL CL J2016 >MET~J 72 135.80 177.22 131.65 139.30 177.62 129.34 137.55 177.42 130.49 2 0 8.50 -999 ? O1 GOL J3030 >GLU~J 73 133.49 171.70 133.63 132.81 170.83 131.84 133.15 171.26 132.74 2 0 5.06 -999 ? O1 GOL J3033 >MET~J 74 131.54 176.33 134.71 131.38 179.34 137.60 131.46 177.84 136.16 2 0 13.20 -999 ? CL CL J2016 >TYR~J 75 131.82 180.89 131.78 131.82 183.34 133.12 131.82 182.12 132.45 3 0 10.17 -999 ? CL CL J2016 >HIS~J 76 130.51 172.99 128.94 129.60 171.33 128.01 130.05 172.16 128.47 3 0 4.19 -999 ? O2 GOL J3033s >ALA~J 77 127.70 174.36 132.33 128.03 174.02 133.80 127.87 174.19 133.07 2 0 7.22 -999 ? O2 GOL J3033 >LEU~J 78 126.88 179.10 132.90 127.11 180.03 134.83 126.99 179.57 133.86 3 0 10.00 -999 ? CL CL J2016 >HIS~J 79 126.45 179.07 126.46 125.69 179.71 124.61 126.07 179.39 125.53 3 0 -4.36 -999 ? CL CL J2026s >VAL~J 80 124.29 174.79 128.10 124.92 172.71 127.83 124.61 173.75 127.97 3 0 3.94 -999 ? CL CL J2026 >SER~J 81 121.87 175.35 131.02 122.76 174.32 132.99 122.32 174.84 132.01 2 0 9.04 -999 ? CL CL J2026 >TRP~J 82 120.81 182.25 129.28 121.40 182.19 125.39 121.11 182.22 127.33 3 0 8.74 -999 ? CL CL J2026 >SER~J 83 120.35 177.35 126.19 121.76 175.49 125.60 121.05 176.42 125.89 2 0 3.90 -999 ? CL CL J2026 >ASN~J 84 118.44 173.52 128.48 119.65 172.15 127.42 119.04 172.83 127.95 2 0 7.23 -999 ? CL CL J2026 >LEU.J 85 116.24 178.65 129.95 117.21 179.01 131.86 116.73 178.83 130.90 3 0 11.46 -999 ? CL CL J2026 >GLN.J 86 110.94 175.26 128.38 109.34 174.37 129.53 110.14 174.82 128.96 2 0 16.93 -999 ? CL CL J2026 >ASP.J 87 110.72 181.26 130.55 110.95 183.18 131.46 110.84 182.22 131.01 2 0 17.99 -999 ? CL CL J2026 >GLN.J 88 116.12 182.84 127.15 117.48 182.26 125.60 116.80 182.55 126.37 2 0 10.71 -999 ? CL CL J2026 >GLN.J 89 114.49 183.92 134.24 113.20 182.62 135.42 113.84 183.27 134.83 2 0 18.06 -999 ? CL CL J2026 >SER.J 90 116.00 187.81 129.86 114.07 189.29 129.50 115.04 188.55 129.68 2 0 18.80 -999 ? CL CL J2026 >ILE.J 91 119.63 184.93 131.61 120.00 184.01 132.59 119.81 184.47 132.10 3 0 13.29 -999 ? CL CL J2026 >ASP~J 92 122.14 189.51 128.78 123.73 190.15 127.54 122.93 189.83 128.16 2 0 15.35 -999 ? CL CL J2026 >GLU~J 93 124.50 183.71 125.04 124.44 183.21 122.99 124.47 183.46 124.01 2 0 8.18 -999 ? CL CL J2026 >ARG~J 94 128.91 190.77 127.30 131.74 191.98 127.17 130.32 191.37 127.23 2 0 16.81 -999 ? CL CL J2016 >ARG~J 95 124.49 189.48 132.73 124.81 189.21 135.78 124.65 189.34 134.25 2 0 18.03 -999 ? CL CL J2026 >VAL~J 96 126.84 183.23 130.31 125.13 181.83 130.03 125.99 182.53 130.17 3 0 9.32 -999 ? CL CL J2026 >THR~J 97 129.88 183.52 128.01 129.69 184.25 125.95 129.78 183.89 126.98 2 0 8.85 -999 ? CL CL J2016 >PHE.J 98 135.63 181.85 129.67 138.24 181.95 130.69 136.94 181.90 130.18 3 0 11.05 -999 ? CL CL J2016 >LEU.J 99 134.68 187.63 129.42 132.80 188.60 128.96 133.74 188.12 129.19 3 0 13.96 -999 ? CL CL J2016 >GLY.J 100 138.71 185.34 129.72 138.30 185.82 130.25 138.51 185.58 129.98 1 0 14.25 -999 ? CL CL J2016 >PHE.J 101 141.95 185.09 132.92 141.02 182.89 134.35 141.49 183.99 133.63 3 0 16.46 -999 ? O1 GOL J3030 >ASP.J 102 143.25 191.36 132.98 143.80 193.32 132.63 143.52 192.34 132.81 2 0 24.08 -999 ? CL CL J2016 >ALA.J 103 146.20 190.71 129.38 146.25 191.31 128.01 146.22 191.01 128.69 2 0 22.78 -999 ? O3 GOL J3030 >ALA.J 104 147.96 193.37 131.52 147.53 194.84 131.67 147.74 194.11 131.59 2 0 27.25 -999 ? CL CL J2016 >THR.J 105 147.52 191.90 135.01 146.15 193.36 135.77 146.84 192.63 135.39 2 0 26.65 -999 ? CL CL J2016 >GLU~J 106 144.43 188.69 135.80 142.30 188.60 135.89 143.36 188.64 135.85 2 0 21.26 -999 ? CL CL J2016 >ALA~J 107 148.84 187.30 131.57 150.17 188.07 131.20 149.50 187.69 131.38 2 0 22.98 -999 ? O1 GOL J3030 >ARG~J 108 152.38 184.27 135.62 151.05 183.00 138.10 151.71 183.64 136.86 2 0 23.02 -999 ? O1 GOL J3030 >TYR~J 109 145.48 183.77 135.57 146.27 183.96 138.21 145.87 183.87 136.89 3 0 19.91 -999 ? O1 GOL J3030 >LEU~J 110 145.43 185.75 129.18 144.50 186.56 127.41 144.97 186.15 128.29 3 0 17.96 -999 ? O1 GOL J3030 >GLY~J 111 148.14 182.44 128.30 147.50 182.15 128.72 147.82 182.30 128.51 1 0 16.95 -999 ? O1 GOL J3030 >TYR~J 112 146.80 177.39 131.57 146.79 174.66 132.11 146.80 176.03 131.84 3 0 13.43 -999 ? O1 GOL J3030 >VAL~J 113 143.46 179.67 128.40 141.63 180.84 128.78 142.54 180.25 128.59 3 0 11.86 -999 ? O1 GOL J3030 >ARG~J 114 145.85 183.80 124.31 145.72 186.84 123.92 145.78 185.32 124.12 2 0 18.34 -999 ? O3 GOL J3030 >PHE~J 115 148.98 175.54 126.51 150.30 173.10 126.47 149.64 174.32 126.49 3 0 13.90 -999 ? O1 GOL J3030 >MET~J 116 144.23 174.90 126.42 144.80 173.08 129.10 144.51 173.99 127.76 2 0 -9.59 -999 ? O1 GOL J3030s >VAL~J 117 142.11 176.08 123.51 140.52 177.64 123.39 141.32 176.86 123.45 3 0 8.21 -999 ? O1 GOL J3030 >ASN~J 118 145.50 177.92 120.49 144.26 179.66 120.53 144.88 178.79 120.51 2 0 12.66 -999 ? O3 GOL J3030 >VAL~J 119 147.21 173.81 121.66 149.31 174.02 122.27 148.26 173.92 121.97 3 0 12.91 -999 ? O1 GOL J3030 >GLU.J 120 146.22 171.46 125.96 147.90 170.17 125.84 147.06 170.81 125.90 2 0 -11.66 -999 ? O1 GOL J3030s >GLY.J 121 142.11 171.84 121.56 142.12 171.82 122.36 142.12 171.83 121.96 1 0 7.12 -999 ? O1 GOL J3030 >ARG.J 122 139.69 170.93 128.19 138.90 169.62 130.85 139.30 170.27 129.52 2 0 -6.11 -999 ? O1 GOL J3030s >TYR.J 123 136.67 174.46 127.10 136.30 173.08 129.51 136.48 173.77 128.30 3 0 -4.20 -999 ? O1 GOL J3030s >THR.J 124 137.10 175.14 120.86 138.05 173.44 119.87 137.57 174.29 120.36 2 0 -5.13 -999 ? C3 GOL J3030s >HIS.J 125 132.43 173.86 119.73 132.77 172.30 118.36 132.60 173.08 119.04 3 0 -4.00 -999 ? O3 GOL J3030s >PHE.J 126 134.29 178.17 125.46 133.55 176.78 127.79 133.92 177.48 126.63 3 0 5.06 -999 ? CL CL J2016 >ASP.J 127 132.13 183.26 121.62 132.41 185.18 120.66 132.27 184.22 121.14 2 0 11.08 -999 ? CL CL J2016 >ALA.J 128 136.84 183.95 121.83 137.97 183.60 120.89 137.40 183.77 121.36 2 0 11.61 -999 ? O3 GOL J3030 >GLY.J 129 135.43 187.49 121.46 135.94 187.11 120.95 135.68 187.30 121.20 1 0 13.90 -999 ? CL CL J2016 >THR.J 130 137.37 190.28 119.70 136.54 192.22 120.29 136.95 191.25 119.99 2 0 18.81 -999 ? CL CL J2016 >HIS.J 131 140.93 192.25 121.78 140.50 194.18 121.08 140.72 193.22 121.43 3 0 21.32 -999 ? CL CL J2016 >GLY.J 132 141.22 185.96 121.93 140.95 186.49 122.53 141.09 186.23 122.23 1 0 15.02 -999 ? O3 GOL J3030 >PHE.J 133 139.53 183.24 125.26 138.18 181.13 124.04 138.86 182.18 124.65 3 0 10.68 -999 ? O3 GOL J3030 >ASN.J 134 142.59 189.93 125.86 143.30 191.66 127.03 142.95 190.80 126.45 2 0 21.36 -999 ? CL CL J2016 >ALA.J 135 138.91 190.36 128.97 138.50 189.71 130.36 138.71 190.04 129.66 2 0 17.65 -999 ? CL CL J2016 >GLN.J 136 140.83 194.22 126.78 140.25 195.61 125.26 140.54 194.91 126.02 2 0 22.83 -999 ? CL CL J2016 >THR.J 137 139.81 193.84 133.00 137.76 194.24 133.58 138.78 194.04 133.29 2 0 22.19 -999 ? CL CL J2016 >PRO.J 138 141.96 193.63 136.70 140.66 192.21 135.51 141.31 192.92 136.11 3 0 23.77 -999 ? CL CL J2016 >MET~J 139 138.49 188.63 136.34 136.14 189.73 134.49 137.31 189.18 135.41 2 0 18.31 -999 ? CL CL J2016 >TRP~J 140 142.14 185.05 141.31 142.82 181.62 139.53 142.48 183.33 140.42 3 0 20.55 -999 ? O1 GOL J3030 >GLU~J 141 139.93 188.85 143.36 139.82 190.60 144.63 139.87 189.73 144.00 2 0 24.92 -999 ? O2 GOL M3042 >LYS~J 142 135.12 187.43 140.16 132.76 191.26 136.26 133.94 189.35 138.21 2 0 19.62 -999 ? CL CL J2016 >TYR~J 143 136.50 183.91 136.49 136.50 184.93 133.88 136.50 184.42 135.19 3 0 15.18 -999 ? CL CL J2016 >GLN~J 144 138.83 183.31 142.69 139.42 181.74 141.36 139.13 182.52 142.03 2 0 19.62 -999 ? O1 GOL J3030 >ARG~J 145 132.84 187.86 144.62 133.71 189.96 142.45 133.28 188.91 143.54 2 0 22.99 -999 ? CL CL J2016 >MET~J 146 131.19 182.38 140.79 131.35 184.32 137.11 131.27 183.35 138.95 2 0 15.03 -999 ? CL CL J2016 >LEU~J 147 134.38 178.75 141.28 135.59 178.09 139.66 134.99 178.42 140.47 3 0 15.43 -999 ? O1 GOL J3033 >ASN~J 148 132.19 180.35 145.70 132.98 179.70 147.44 132.58 180.02 146.57 2 0 20.55 -999 ? O1 GOL J3033 >VAL~J 149 128.11 179.45 144.12 126.77 181.16 143.91 127.44 180.30 144.01 3 0 18.21 -999 ? O1 GOL J3033 >TRP~J 150 127.85 175.49 138.51 131.22 173.81 137.27 129.54 174.65 137.89 3 0 9.82 -999 ? O1 GOL J3033 >HIS~J 151 132.36 173.99 142.63 133.63 173.58 141.01 133.00 173.79 141.82 3 0 -12.73 -999 ? O1 GOL J3033s >ALA.J 152 127.33 174.78 146.10 127.18 176.12 146.85 127.26 175.45 146.48 2 0 17.85 -999 ? O1 GOL J3033 >CYH.J 153 124.53 173.82 143.70 124.14 176.01 142.05 124.33 174.92 142.88 2 0 14.69 -999 ? O1 GOL J3033 >PRO.J 154 122.09 170.91 146.00 123.59 170.92 144.34 122.84 170.92 145.17 3 0 15.54 -999 ? O1 GOL J3033 >ARG.J 155 121.13 167.88 138.18 121.17 165.29 139.87 121.15 166.58 139.02 2 0 11.80 -999 ? O1 GOL J3033 >GLN.J 156 128.06 171.27 140.20 130.09 170.91 140.43 129.08 171.09 140.32 2 0 -9.65 -999 ? O1 GOL J3033s >TYR.J 157 126.93 169.72 134.52 129.73 169.94 134.63 128.33 169.83 134.57 3 0 4.16 -999 ? O1 GOL J3033 >HIS.J 158 121.18 169.23 132.79 122.06 167.98 131.35 121.62 168.60 132.07 3 0 7.50 -999 ? O2 GOL J3033 >LEU.J 159 121.99 175.54 136.35 124.04 175.41 137.02 123.01 175.47 136.68 3 0 11.64 -999 ? O2 GOL J3033 >SER~J 160 117.66 176.55 136.71 117.34 176.93 139.13 117.50 176.74 137.92 2 0 16.89 -999 ? CL CL J2026 >ALA~J 161 117.51 180.26 135.99 116.35 180.95 135.31 116.93 180.61 135.65 2 0 15.32 -999 ? CL CL J2026 >ASN~J 162 116.58 180.36 140.72 114.44 180.36 140.30 115.51 180.36 140.51 2 0 20.00 -999 ? CL CL J2026 >GLU~J 163 120.24 176.69 140.95 120.35 174.56 140.67 120.30 175.62 140.81 2 0 14.80 -999 ? O1 GOL J3033 >ILE~J 164 121.60 180.55 135.44 121.62 180.27 134.04 121.61 180.41 134.74 3 0 12.18 -999 ? CL CL J2026 >ASN~J 165 119.99 184.59 138.50 118.95 185.04 136.70 119.47 184.81 137.60 2 0 17.02 -999 ? CL CL J2026 >GLN~J 166 121.19 182.02 143.22 120.95 180.21 144.33 121.07 181.11 143.78 2 0 20.11 -999 ? O1 GOL J3033 >ILE~J 167 126.31 180.99 139.04 126.71 179.69 138.76 126.51 180.34 138.90 3 0 14.94 -999 ? CL CL J2016 >ILE~J 168 125.76 185.40 136.18 124.70 184.87 135.20 125.23 185.13 135.69 3 0 14.98 -999 ? CL CL J2016 >ASN~J 169 124.16 188.01 140.62 122.87 188.45 138.97 123.52 188.23 139.79 2 0 19.84 -999 ? CL CL J2026 >ALA.J 170 128.19 186.40 142.63 128.67 184.98 142.77 128.43 185.69 142.70 2 0 20.08 -999 ? CL CL J2016 >GLN.K 3 176.80 144.66 180.27 177.41 146.72 180.36 177.10 145.69 180.31 2 0 17.70 -999 ? CL CL K2003 >GLU.K 4 168.96 143.52 178.36 168.13 144.65 176.72 168.55 144.08 177.54 2 0 10.47 -999 ? CL CL K2003 >SER~K 5 169.18 141.50 182.56 167.47 141.57 184.32 168.32 141.54 183.44 2 0 14.54 -999 ? C1 GOL K3011 >THR~K 6 166.86 138.52 182.04 167.45 136.95 183.47 167.15 137.73 182.75 2 0 12.70 -999 ? O1 GOL K3011 >MET~K 7 164.06 140.87 183.37 164.78 142.13 187.31 164.42 141.50 185.34 2 0 12.61 -999 ? C1 GOL K3011 >GLU~K 8 166.29 144.34 181.01 165.98 146.34 180.71 166.14 145.34 180.86 2 0 14.31 -999 ? CL CL K2003 >MET~K 9 163.87 139.94 177.81 163.37 135.98 178.91 163.62 137.96 178.36 2 0 8.91 -999 ? CL CL K2003 >THR~K 10 161.23 140.07 175.16 162.29 140.25 173.33 161.76 140.16 174.25 2 0 6.77 -999 ? CL CL K2003 >ASN~K 11 156.74 138.31 174.91 155.83 139.22 176.64 156.28 138.76 175.78 2 0 12.99 -999 ? CL CL K2003 >ALA~K 12 159.60 135.91 172.18 160.16 136.47 170.85 159.88 136.19 171.52 2 0 6.84 -999 ? CL CL K2003 >GLN~K 13 164.45 136.78 173.56 165.71 138.42 174.03 165.08 137.60 173.79 2 0 -4.20 -999 ? CL CL K2003s >ARG~K 14 159.72 136.15 179.98 157.68 137.80 181.74 158.70 136.98 180.86 2 0 14.49 -999 ? CL CL K2003 >LEU~K 15 157.72 132.16 173.76 156.03 131.01 173.00 156.88 131.59 173.38 3 0 11.38 -999 ? CL CL K2003 >ILE~K 16 163.02 131.17 172.92 163.87 131.47 171.80 163.45 131.32 172.36 3 0 6.16 -999 ? CL CL K2003 >LEU~K 17 163.45 130.85 178.18 165.44 131.71 178.48 164.44 131.28 178.33 3 0 9.33 -999 ? CL CL K2003 >SER~K 18 159.74 128.20 178.19 157.36 127.88 178.37 158.55 128.04 178.28 2 0 14.77 -999 ? CL CL K2003 >ASN~K 19 159.95 126.22 173.79 158.08 126.91 172.99 159.01 126.57 173.39 2 0 12.99 -999 ? CL CL K2003 >GLN~K 20 165.23 126.38 175.12 167.08 127.37 175.41 166.15 126.87 175.27 2 0 -9.89 -999 ? CL CL K2003s >TYR~K 21 163.15 125.72 181.32 165.33 127.37 181.87 164.24 126.54 181.59 3 0 13.85 -999 ? O1 GOL K3011 >LYS~K 22 159.62 121.79 178.29 154.49 125.24 177.13 157.06 123.52 177.71 2 0 17.74 -999 ? CL CL K2003 >MET~K 23 162.15 120.06 176.02 162.86 121.49 172.15 162.51 120.78 174.08 2 0 15.25 -999 ? CL CL K2003 >MET~K 24 164.62 119.60 178.85 166.74 123.14 179.39 165.68 121.37 179.12 2 0 15.57 -999 ? CL CL K2003 >THR~K 25 161.90 117.78 180.76 160.33 118.46 182.04 161.11 118.12 181.40 2 0 18.58 -999 ? O1 GOL K3011 >MET~K 26 161.22 115.50 177.81 159.33 117.44 174.68 160.27 116.47 176.25 2 0 20.55 -999 ? CL CL K2003 >LEU~K 27 165.96 115.71 176.77 166.29 116.05 174.68 166.13 115.88 175.72 3 0 20.84 -999 ? CL CL K2003 >ASP~K 28 166.96 115.59 181.42 167.86 115.34 183.30 167.41 115.46 182.36 2 0 19.61 -999 ? O1 GOL K3011 >PRO.K 29 162.73 111.60 181.60 163.18 113.63 182.48 162.95 112.61 182.04 3 0 22.54 -999 ? O1 GOL K3011 >ALA.K 30 164.44 112.89 186.14 165.69 112.04 186.36 165.06 112.46 186.25 2 0 20.83 -999 ? O1 GOL K3011 >ASN~K 31 166.35 117.31 186.12 168.04 116.44 187.09 167.19 116.88 186.61 2 0 16.74 -999 ? O1 GOL K3011 >ALA~K 32 161.45 117.68 185.72 160.27 116.73 185.65 160.86 117.21 185.68 2 0 17.75 -999 ? O1 GOL K3011 >GLU~K 33 159.57 118.25 190.56 157.88 119.02 189.34 158.72 118.64 189.95 2 0 15.23 -999 ? O1 GOL K3011 >ARG~K 34 167.98 121.31 187.60 169.63 121.60 190.28 168.80 121.45 188.94 2 0 11.32 -999 ? O1 GOL K3011 >TYR~K 35 164.29 120.92 183.43 166.71 119.58 183.22 165.50 120.25 183.32 3 0 15.70 -999 ? O1 GOL K3011 >ARG~K 36 156.15 122.83 185.77 154.85 125.10 184.29 155.50 123.96 185.03 2 0 15.75 -999 ? C1 GOL K3011 >ARG~K 37 162.88 126.06 191.42 164.87 128.39 191.36 163.87 127.23 191.39 2 0 -4.30 -999 ? O1 GOL K3011s >LEU~K 38 163.70 127.14 185.25 165.74 127.35 186.05 164.72 127.24 185.65 3 0 9.79 -999 ? O1 GOL K3011 >GLN~K 39 157.93 126.42 181.83 156.60 124.76 181.54 157.27 125.59 181.69 2 0 16.97 -999 ? C1 GOL K3011 >THR~K 40 157.32 128.98 186.14 156.19 128.19 187.79 156.76 128.58 186.96 2 0 11.40 -999 ? C1 GOL K3011 >ILE~K 41 161.30 131.54 187.38 162.37 131.56 188.23 161.84 131.55 187.80 3 0 7.45 -999 ? C1 GOL K3011 >ILE~K 42 160.75 131.81 182.07 161.85 132.58 181.65 161.30 132.19 181.86 3 0 13.07 -999 ? CL CL K2003 >GLU~K 43 155.84 130.25 181.35 154.86 128.33 181.37 155.35 129.29 181.36 2 0 16.84 -999 ? C1 GOL K3011 >ARG~K 44 153.63 132.28 188.00 152.37 129.86 189.45 153.00 131.07 188.73 2 0 13.27 -999 ? C1 GOL K3011 >GLY~K 45 158.16 136.87 185.20 157.90 136.49 185.89 158.03 136.68 185.55 1 0 12.40 -999 ? C1 GOL K3011 >TYR~K 46 157.80 134.56 189.99 155.34 133.43 190.73 156.57 133.99 190.36 3 0 9.15 -999 ? C1 GOL K3011 >GLY~K 47 161.61 139.29 189.10 161.60 138.74 189.63 161.61 139.01 189.37 1 0 9.64 -999 ? C1 GOL K3011 >LEU~K 48 163.02 137.96 193.62 164.24 137.87 195.42 163.63 137.91 194.52 3 0 4.80 -999 ? O3 GOL K3011 >GLN~K 49 162.94 132.97 191.99 161.75 134.08 193.36 162.35 133.53 192.67 2 0 -3.60 -999 ? C1 GOL K3011s >MET~K 50 165.11 136.42 187.34 162.10 137.52 184.80 163.61 136.97 186.07 2 0 11.64 -999 ? C1 GOL K3011 >ARG~K 51 168.73 140.32 192.51 171.31 141.97 192.79 170.02 141.14 192.65 2 0 -10.79 -999 ? O3 GOL K3011s >GLU~K 52 168.06 134.81 192.85 166.74 133.62 193.99 167.40 134.22 193.42 2 0 -2.85 -999 ? O1 GOL K3011s >LEU~K 53 168.30 133.90 186.01 167.08 132.12 185.58 167.69 133.01 185.80 3 0 9.27 -999 ? O1 GOL K3011 >ASP~K 54 171.09 138.55 186.41 169.55 139.29 185.16 170.32 138.92 185.79 2 0 13.11 -999 ? O1 GOL K3011 >ARG~K 55 173.95 138.80 190.43 173.34 140.90 188.20 173.64 139.85 189.32 2 0 13.86 -999 ? O3 GOL K3011 >GLU~K 56 172.89 131.40 187.88 171.30 130.10 187.44 172.09 130.75 187.66 2 0 9.32 -999 ? O1 GOL K3011 >PHE.K 57 174.47 134.16 182.63 172.87 131.99 181.99 173.67 133.07 182.31 3 0 13.68 -999 ? CL CL K2003 >GLY.K 58 179.79 136.37 184.44 179.50 136.20 183.68 179.64 136.29 184.06 1 0 18.35 -999 ? O1 GOL K3011 >GLU.K 59 181.67 140.70 183.14 183.47 141.86 183.25 182.57 141.28 183.20 2 0 18.15 -999 ? O3 GOL K3010 >LEU.K 60 186.57 136.89 181.93 188.50 136.69 183.01 187.53 136.79 182.47 3 0 14.07 -999 ? O3 GOL K3010 >LYS~K 61 186.73 140.78 179.08 183.84 145.13 179.62 185.29 142.95 179.35 2 0 17.02 -999 ? C3 GOL K3010 >GLU~K 62 189.61 139.57 173.68 189.43 140.41 171.76 189.52 139.99 172.72 2 0 6.62 -999 ? O2 GOL K3010 >GLU~K 63 191.78 144.13 175.87 193.39 143.52 174.53 192.59 143.82 175.20 2 0 9.64 -999 ? O2 GOL K3010 >THR~K 64 191.77 140.44 180.59 190.64 140.95 182.34 191.21 140.70 181.47 2 0 14.85 -999 ? O3 GOL K3010 >CYH~K 65 191.78 136.88 179.11 189.10 136.07 178.65 190.44 136.47 178.88 2 0 9.89 -999 ? O3 GOL K3010 >ARG~K 66 193.71 139.32 173.56 193.18 137.60 171.05 193.45 138.46 172.30 2 0 -3.30 -999 ? O2 GOL K3010s >THR~K 67 196.56 139.40 179.79 196.53 141.28 180.84 196.54 140.34 180.32 2 0 -10.70 -999 ? O3 GOL K3009s >ILE~K 68 195.02 135.51 182.24 194.09 135.09 183.16 194.56 135.30 182.70 3 0 13.54 -999 ? O3 GOL K3010 >ILE~K 69 196.90 134.01 177.50 196.27 133.25 176.48 196.59 133.63 176.99 3 0 8.77 -999 ? O3 GOL K3010 >ASP~K 70 200.17 138.24 178.11 201.77 139.28 177.19 200.97 138.76 177.65 2 0 -4.89 -999 ? O3 GOL K3009s >ILE~K 71 200.58 136.57 183.29 200.11 137.14 184.34 200.34 136.86 183.82 3 0 12.02 -999 ? O3 GOL K3009 >MET~K 72 201.73 132.62 181.51 198.24 130.42 182.14 199.98 131.52 181.82 2 0 8.76 -999 ? O2 GOL K3041 >GLU~K 73 204.07 133.93 175.85 204.65 132.02 175.03 204.36 132.98 175.44 2 0 7.36 -999 ? C3 GOL K3041 >MET~K 74 205.94 135.56 180.22 206.20 138.79 182.75 206.07 137.18 181.48 2 0 10.36 -999 ? O2 GOL K3009 >TYR~K 75 205.79 133.16 185.06 205.81 134.80 187.34 205.80 133.98 186.20 3 0 12.36 -999 ? CL CL K2027 >HIS~K 76 207.10 129.51 177.50 208.14 128.55 175.95 207.62 129.03 176.73 3 0 -6.12 -999 ? C3 GOL K3041s >ALA~K 77 209.89 132.99 178.48 209.55 134.39 178.02 209.72 133.69 178.25 2 0 8.79 -999 ? O2 GOL K3009 >LEU~K 78 210.63 133.98 183.18 210.46 136.05 183.81 210.54 135.01 183.49 3 0 10.55 -999 ? CL CL K2027 >HIS~K 79 211.01 127.65 183.80 211.70 125.86 184.65 211.35 126.76 184.23 3 0 -4.34 -999 ? CL CL K2027s >VAL~K 80 213.19 128.75 179.46 212.35 128.08 177.57 212.77 128.41 178.52 3 0 -3.85 -999 ? CL CL K2027s >SER~K 81 215.63 131.69 179.58 214.60 133.54 178.42 215.11 132.61 179.00 2 0 9.04 -999 ? CL CL K2027 >TRP~K 82 216.74 131.02 186.60 216.25 127.19 187.32 216.50 129.10 186.96 3 0 8.99 -999 ? CL CL K2027 >SER~K 83 216.96 127.03 182.22 215.88 126.06 180.30 216.42 126.55 181.26 2 0 3.98 -999 ? CL CL K2027 >ASN~K 84 218.95 128.67 178.13 217.92 127.23 176.93 218.43 127.95 177.53 2 0 7.12 -999 ? CL CL K2027 >LEU.K 85 221.10 131.17 182.96 220.63 133.27 182.57 220.86 132.22 182.76 3 0 11.64 -999 ? CL CL K2027 >GLN.K 86 226.49 129.53 181.02 227.21 128.98 179.07 226.85 129.26 180.05 2 0 15.73 -999 ? CL CL K2027 >ASP.K 87 226.46 132.41 185.48 226.78 133.13 187.48 226.62 132.77 186.48 2 0 18.29 -999 ? CL CL K2027 >GLN.K 88 221.17 129.18 186.12 219.98 127.45 186.44 220.57 128.32 186.28 2 0 10.33 -999 ? CL CL K2027 >GLN.K 89 223.93 136.46 188.29 224.39 136.22 186.19 224.16 136.34 187.24 2 0 17.67 -999 ? CL CL K2027 >SER.K 90 221.55 131.48 191.08 222.77 129.44 191.28 222.16 130.46 191.18 2 0 15.98 -999 ? CL CL K2027 >ILE.K 91 217.72 133.44 189.09 217.44 134.18 188.09 217.58 133.81 188.59 3 0 13.27 -999 ? CL CL K2027 >ASP~K 92 214.98 131.64 193.77 214.74 130.33 195.35 214.86 130.99 194.56 2 0 16.19 -999 ? CL CL K2027 >GLU~K 93 212.85 126.80 188.86 213.03 124.72 188.44 212.94 125.76 188.65 2 0 8.22 -999 ? CL CL K2027 >ARG~K 94 208.90 129.35 195.92 206.24 130.62 196.90 207.57 129.99 196.41 2 0 18.44 -999 ? CL CL K2027 >ARG~K 95 211.85 134.99 193.85 212.13 138.00 193.03 211.99 136.49 193.44 2 0 18.15 -999 ? CL CL K2027 >VAL~K 96 210.69 132.15 187.63 212.44 132.18 186.29 211.56 132.16 186.96 3 0 9.74 -999 ? CL CL K2027 >THR~K 97 207.70 129.86 188.22 207.86 127.85 189.06 207.78 128.85 188.64 2 0 10.10 -999 ? CL CL K2027 >PHE.K 98 201.94 131.33 186.30 199.31 132.28 186.27 200.63 131.80 186.28 3 0 11.99 -999 ? O1 GOL K3041 >LEU.K 99 202.94 131.53 192.10 204.93 130.90 192.94 203.94 131.21 192.52 3 0 15.90 -999 ? CL CL K2027 >GLY.K 100 198.88 131.68 189.78 199.27 132.26 190.18 199.08 131.97 189.98 1 0 14.95 -999 ? O1 GOL K3041 >PHE.K 101 195.66 134.79 189.08 196.68 136.09 186.76 196.17 135.44 187.92 3 0 16.66 -999 ? O2 GOL K3041 >ASP.K 102 194.36 135.90 195.25 193.66 135.95 197.23 194.01 135.93 196.24 2 0 24.81 -999 ? O1 GOL K3041 >ALA.K 103 191.37 132.16 195.10 191.41 130.94 195.93 191.39 131.55 195.52 2 0 22.71 -999 ? O1 GOL K3041 >ALA.K 104 189.66 134.67 197.47 190.20 135.04 198.78 189.93 134.86 198.12 2 0 24.94 -999 ? C3 GOL K3011 >THR.K 105 189.99 137.92 195.49 191.30 139.02 196.78 190.65 138.47 196.14 2 0 26.54 -999 ? O3 GOL K3011 >GLU~K 106 193.16 138.18 192.36 195.25 138.38 192.10 194.21 138.28 192.23 2 0 21.15 -999 ? O3 GOL K3009 >ALA~K 107 188.69 133.89 191.46 187.37 133.63 192.25 188.03 133.76 191.86 2 0 22.22 -999 ? O1 GOL K3011 >ARG~K 108 185.36 137.67 187.99 186.54 140.01 186.30 185.95 138.84 187.14 2 0 18.77 -999 ? O3 GOL K3010 >TYR~K 109 192.13 137.45 187.51 191.27 140.11 187.32 191.70 138.78 187.41 3 0 18.63 -999 ? O3 GOL K3010 >LEU~K 110 192.16 131.44 190.22 192.93 129.74 191.26 192.55 130.59 190.74 3 0 18.09 -999 ? O1 GOL K3041 >GLY~K 111 189.38 130.01 186.93 190.01 130.42 186.63 189.70 130.22 186.78 1 0 17.09 -999 ? O2 GOL K3041 >TYR~K 112 190.77 132.67 181.60 190.81 132.90 178.83 190.79 132.79 180.22 3 0 10.80 -999 ? O3 GOL K3010 >VAL~K 113 194.12 129.71 184.26 195.83 130.19 185.47 194.97 129.95 184.87 3 0 12.08 -999 ? O2 GOL K3041 >ARG~K 114 191.56 126.17 188.91 191.90 126.17 191.97 191.73 126.17 190.44 2 0 18.18 -999 ? O1 GOL K3041 >PHE~K 115 188.61 127.47 180.36 187.29 127.19 177.91 187.95 127.33 179.14 3 0 12.17 -999 ? O3 GOL K3010 >MET~K 116 193.28 127.28 179.78 192.71 129.67 177.68 192.99 128.47 178.73 2 0 9.09 -999 ? O3 GOL K3010 >VAL~K 117 195.36 124.43 181.23 196.93 124.37 182.79 196.15 124.40 182.01 3 0 8.24 -999 ? O2 GOL K3041 >ASN~K 118 191.94 121.64 183.31 193.08 121.89 185.10 192.51 121.77 184.20 2 0 12.53 -999 ? O1 GOL K3041 >VAL~K 119 190.28 122.41 179.20 188.21 123.10 179.42 189.24 122.76 179.31 3 0 12.97 -999 ? O2 GOL K3041 >GLU.K 120 191.40 126.33 176.24 190.06 126.00 174.65 190.73 126.16 175.44 2 0 9.38 -999 ? O3 GOL K3010 >GLY.K 121 195.43 121.96 177.23 195.45 122.78 177.16 195.44 122.37 177.19 1 0 7.06 -999 ? O2 GOL K3041 >ARG.K 122 197.94 128.45 175.54 198.81 130.96 174.01 198.37 129.71 174.78 2 0 -6.46 -999 ? O2 GOL K3041s >TYR.K 123 200.86 127.71 179.28 201.20 129.91 177.64 201.03 128.81 178.46 3 0 -4.42 -999 ? O2 GOL K3041s >THR.K 124 200.37 121.65 180.70 199.39 120.53 179.18 199.88 121.09 179.94 2 0 -5.02 -999 ? C1 GOL K3041s >HIS.K 125 204.92 120.38 179.37 204.44 118.90 177.95 204.68 119.64 178.66 3 0 -4.02 -999 ? O1 GOL K3041s >PHE.K 126 203.21 126.54 183.11 203.93 128.69 181.49 203.57 127.61 182.30 3 0 5.89 -999 ? O1 GOL K3041 >ASP.K 127 205.42 123.70 188.60 205.51 122.74 190.54 205.46 123.22 189.57 2 0 12.37 -999 ? CL CL K2027 >ALA.K 128 200.65 123.83 189.34 199.48 122.89 189.03 200.07 123.36 189.19 2 0 11.56 -999 ? O1 GOL K3041 >GLY.K 129 202.21 123.63 192.85 201.55 123.47 192.72 201.88 123.55 192.79 1 0 14.73 -999 ? O1 GOL K3041 >THR.K 130 199.81 121.93 195.38 201.39 122.51 196.89 200.60 122.22 196.13 2 0 18.85 -999 ? O1 GOL K3041 >HIS.K 131 196.99 124.95 197.52 197.50 124.37 199.47 197.24 124.66 198.49 3 0 21.27 -999 ? O1 GOL K3041 >GLY.K 132 196.31 124.21 191.29 196.56 124.84 191.79 196.43 124.52 191.54 1 0 14.94 -999 ? O1 GOL K3041 >PHE.K 133 198.09 127.04 188.19 199.51 125.58 186.31 198.80 126.31 187.25 3 0 10.58 -999 ? O1 GOL K3041 >ASN.K 134 194.99 128.59 194.84 194.18 129.99 196.32 194.58 129.29 195.58 2 0 21.40 -999 ? O1 GOL K3041 >ALA.K 135 198.59 131.76 194.84 198.93 133.01 194.07 198.76 132.38 194.45 2 0 19.10 -999 ? O1 GOL K3041 >GLN.K 136 196.74 130.20 198.98 198.00 128.69 199.83 197.37 129.44 199.40 2 0 22.94 -999 ? O1 GOL K3041 >THR.K 137 197.75 136.25 197.75 199.78 136.83 197.91 198.77 136.54 197.83 2 0 24.14 -999 ? O1 GOL K3041 >PRO.K 138 195.55 139.80 196.84 196.96 138.48 195.72 196.26 139.14 196.28 3 0 24.73 -999 ? O3 GOL K3009 >MET~K 139 199.12 138.78 191.99 201.52 137.09 193.38 200.32 137.94 192.69 2 0 20.54 -999 ? O1 GOL K3041 >TRP~K 140 195.63 143.37 188.00 194.83 141.14 184.89 195.23 142.25 186.44 3 0 16.16 -999 ? O3 GOL K3009 >GLU~K 141 197.75 145.77 191.54 197.42 146.88 193.40 197.58 146.32 192.47 2 0 22.10 -999 ? C1 GOL P3014 >LYS~K 142 202.52 142.42 190.46 207.82 141.83 191.71 205.17 142.12 191.08 2 0 19.15 -999 ? C2 GOL K3009 >TYR~K 143 201.16 138.32 187.50 201.22 135.84 188.82 201.19 137.08 188.16 3 0 15.99 -999 ? O3 GOL K3009 >GLN~K 144 198.77 144.45 186.07 198.16 143.26 184.38 198.47 143.85 185.22 2 0 13.25 -999 ? O3 GOL K3009 >ARG~K 145 204.60 147.17 190.28 202.10 146.29 191.85 203.35 146.73 191.06 2 0 19.97 -999 ? C2 GOL K3009 >MET~K 146 206.55 142.35 185.47 206.24 139.02 187.84 206.39 140.69 186.65 2 0 15.30 -999 ? C2 GOL K3009 >LEU~K 147 203.33 142.40 181.83 202.00 140.72 181.37 202.66 141.56 181.60 3 0 9.19 -999 ? O3 GOL K3009 >ASN~K 148 205.46 147.19 182.80 205.92 149.13 182.14 205.69 148.16 182.47 2 0 12.08 -999 ? C1 GOL K3009 >VAL~K 149 209.47 145.26 182.12 210.84 145.20 183.84 210.15 145.23 182.98 3 0 11.96 -999 ? C1 GOL K3009 >TRP~K 150 209.66 139.23 178.83 206.28 137.79 177.39 207.97 138.51 178.11 3 0 6.22 -999 ? O2 GOL K3009 >HIS~K 151 205.25 143.04 176.89 203.95 141.38 176.70 204.60 142.21 176.80 3 0 -4.18 -999 ? C2 GOL K3009s >ALA.K 152 210.28 146.64 177.25 210.41 147.59 178.47 210.34 147.12 177.86 2 0 9.33 -999 ? C1 GOL K3009 >CYH.K 153 213.02 144.07 176.61 213.41 142.76 178.95 213.22 143.41 177.78 2 0 10.08 -999 ? C1 GOL K3009 >PRO.K 154 216.38 144.35 173.83 214.12 144.41 173.73 215.25 144.38 173.78 3 0 9.62 -999 ? C1 GOL K3009 >ARG.K 155 216.54 137.96 172.21 218.86 139.31 173.84 217.70 138.64 173.03 2 0 13.03 -999 ? O2 GOL K3009 >GLN.K 156 209.60 140.38 174.58 207.54 140.72 174.28 208.57 140.55 174.43 2 0 -2.47 -999 ? O2 GOL K3009s >TYR.K 157 210.77 134.37 173.74 207.96 134.59 173.91 209.37 134.48 173.82 3 0 6.79 -999 ? O2 GOL K3009 >HIS.K 158 216.60 132.79 173.33 215.77 131.08 172.42 216.18 131.93 172.88 3 0 10.92 -999 ? CL CL K2027 >LEU.K 159 215.51 136.86 179.27 213.56 137.79 178.87 214.53 137.33 179.07 3 0 11.20 -999 ? O2 GOL K3009 >SER~K 160 219.92 137.55 179.96 220.10 139.93 180.27 220.01 138.74 180.12 2 0 16.17 -999 ? O2 GOL K3009 >ALA~K 161 220.31 137.04 183.68 221.57 136.52 184.41 220.94 136.78 184.05 2 0 15.47 -999 ? CL CL K2027 >ASN~K 162 220.99 141.86 183.52 222.93 141.99 184.43 221.96 141.93 183.98 2 0 20.55 -999 ? CL CL K2027 >GLU~K 163 217.27 141.62 179.80 217.24 141.01 177.77 217.26 141.31 178.78 2 0 12.51 -999 ? O2 GOL K3009 >ILE~K 164 215.89 136.80 184.50 215.85 135.38 184.45 215.87 136.09 184.48 3 0 12.40 -999 ? CL CL K2027 >ASN~K 165 217.62 140.29 187.92 218.57 138.50 188.62 218.10 139.40 188.27 2 0 17.10 -999 ? CL CL K2027 >GLN~K 166 216.30 144.78 185.12 216.83 145.57 183.22 216.56 145.17 184.17 2 0 15.82 -999 ? C1 GOL K3009 >ILE~K 167 211.27 140.38 184.23 210.86 139.90 182.98 211.06 140.14 183.61 3 0 12.25 -999 ? O2 GOL K3009 >ILE~K 168 211.75 138.15 188.96 212.82 137.12 188.68 212.28 137.63 188.82 3 0 15.18 -999 ? CL CL K2027 >ASN~K 169 213.36 143.00 190.89 214.89 141.65 191.54 214.13 142.32 191.21 2 0 20.23 -999 ? CL CL K2027 >ALA~K 170 209.50 144.80 189.17 208.76 144.59 187.81 209.13 144.70 188.49 2 0 15.83 -999 ? C2 GOL K3009 >GLN.L 3 160.41 165.93 193.47 162.33 166.93 193.35 161.37 166.43 193.41 2 0 22.86 -999 ? O1 GOL L3028 >GLU.L 4 164.36 162.97 195.39 165.70 164.44 194.50 165.03 163.71 194.95 2 0 26.61 -999 ? O1 GOL L3028 >SER~L 5 163.79 158.80 197.28 165.12 156.75 197.64 164.45 157.78 197.46 2 0 22.46 -999 ? O3 GOL K3011 >THR~L 6 165.79 159.38 200.40 164.84 158.30 202.03 165.32 158.84 201.21 2 0 24.47 -999 ? O3 GOL K3011 >MET~L 7 168.67 157.47 198.61 167.74 153.43 197.67 168.20 155.45 198.14 2 0 19.31 -999 ? O3 GOL K3011 >GLU~L 8 167.69 159.47 194.26 167.52 160.00 192.23 167.61 159.74 193.24 2 0 26.30 -999 ? O3 GOL K3011 >MET~L 9 169.37 163.07 199.01 169.44 162.40 203.09 169.40 162.74 201.05 2 0 29.02 -999 ? O3 GOL K3011 >THR~L 10 172.31 165.37 198.85 171.58 167.29 198.28 171.94 166.33 198.57 2 0 29.93 -999 ? O1 GOL L3028 >ASN~L 11 176.63 165.37 201.14 177.48 163.54 200.51 177.05 164.45 200.83 2 0 26.76 -999 ? O3 GOL P3014 >ALA~L 12 173.90 168.57 202.77 173.57 169.84 202.01 173.73 169.20 202.39 2 0 29.18 -999 ? O1 GOL P3034 >GLN~L 13 168.94 167.67 201.60 167.82 167.17 199.84 168.38 167.42 200.72 2 0 -26.51 -999 ? O1 GOL L3028s >ARG~L 14 172.85 160.87 203.42 174.90 158.78 202.32 173.88 159.83 202.87 2 0 26.83 -999 ? O3 GOL K3011 >LEU~L 15 175.06 167.38 206.93 176.72 168.11 208.16 175.89 167.75 207.54 3 0 26.04 -999 ? O1 GOL P3034 >ILE~L 16 169.88 168.82 207.15 169.20 170.01 206.59 169.54 169.42 206.87 3 0 28.04 -999 ? O1 GOL L3028 >LEU~L 17 168.86 163.74 208.14 167.02 163.56 206.97 167.94 163.65 207.56 3 0 29.30 -999 ? O1 GOL L3028 >SER~L 18 172.12 163.66 211.09 174.33 163.17 211.65 173.22 163.42 211.37 2 0 28.19 -999 ? C1 GOL P3034 >ASN~L 19 172.29 168.28 212.49 174.30 168.74 211.92 173.30 168.51 212.20 2 0 27.25 -999 ? O2 GOL P3034 >GLN~L 20 166.99 167.66 211.91 165.23 167.49 210.78 166.11 167.58 211.35 2 0 -26.33 -999 ? O1 GOL L3028s >TYR~L 21 168.26 161.38 213.44 166.20 160.80 211.67 167.23 161.09 212.56 3 0 30.92 -999 ? O3 GOL K3011 >LYS~L 22 171.60 164.44 217.42 177.37 164.59 214.60 174.48 164.51 216.01 2 0 25.13 -999 ? O2 GOL P3034 >MET~L 23 169.24 167.21 218.56 169.15 170.83 216.53 169.19 169.02 217.54 2 0 31.08 -999 ? O1 GOL L3028 >MET~L 24 166.37 164.75 219.13 164.60 163.87 215.43 165.49 164.31 217.28 2 0 29.73 -999 ? O1 GOL L3028 >THR~L 25 168.68 162.71 221.40 170.17 161.25 221.10 169.43 161.98 221.25 2 0 33.96 -999 ? O2 GOL P3034 >MET~L 26 169.49 165.91 223.32 171.82 168.60 221.24 170.66 167.25 222.28 2 0 30.87 -999 ? O2 GOL P3034 >LEU~L 27 164.98 167.32 222.69 164.90 169.39 222.13 164.94 168.36 222.41 3 0 32.35 -999 ? O1 GOL L3028 >ASP~L 28 163.49 162.78 223.08 162.21 161.15 223.46 162.85 161.97 223.27 2 0 34.50 -999 ? O1 GOL L3028 >PRO.L 29 167.17 162.54 227.49 166.82 161.54 225.52 166.99 162.04 226.51 3 0 38.25 -999 ? O2 GOL P3034 >ALA.L 30 165.18 158.14 226.58 163.90 158.18 227.31 164.54 158.16 226.94 2 0 38.41 -999 ? O3 GOL K3011 >ASN~L 31 163.63 157.90 222.01 161.73 157.29 222.80 162.68 157.59 222.40 2 0 34.54 -999 ? O3 GOL K3011 >ALA~L 32 168.55 157.71 222.06 169.65 157.86 223.06 169.10 157.79 222.56 2 0 35.22 -999 ? O3 GOL K3011 >GLU~L 33 168.48 151.57 220.91 168.49 150.30 222.63 168.48 150.93 221.77 2 0 30.18 -999 ? O3 GOL K3011 >ARG~L 34 162.35 156.38 218.07 160.56 153.83 217.87 161.45 155.11 217.97 2 0 28.77 -999 ? O3 GOL K3011 >TYR~L 35 166.36 159.94 218.26 163.88 160.60 219.34 165.12 160.27 218.80 3 0 33.75 -999 ? O3 GOL K3011 >ARG~L 36 174.06 157.20 217.38 176.23 157.17 215.21 175.15 157.18 216.30 2 0 28.87 -999 ? C1 GOL P3034 >ARG~L 37 167.17 151.29 214.24 165.45 151.32 211.73 166.31 151.30 212.98 2 0 22.34 -999 ? O3 GOL K3011 >LEU~L 38 167.31 157.34 212.33 165.23 156.71 212.06 166.27 157.03 212.20 3 0 27.22 -999 ? O3 GOL K3011 >GLN~L 39 173.34 160.08 213.45 174.39 160.56 215.24 173.86 160.32 214.34 2 0 29.20 -999 ? C1 GOL P3034 >THR~L 40 173.59 155.39 211.40 174.45 153.80 212.54 174.02 154.60 211.97 2 0 26.45 -999 ? O3 GOL K3011 >ILE~L 41 169.89 154.33 208.54 168.68 153.64 208.48 169.29 153.99 208.51 3 0 23.05 -999 ? O3 GOL K3011 >ILE~L 42 171.09 159.43 207.78 170.17 159.83 206.83 170.63 159.63 207.30 3 0 27.79 -999 ? O3 GOL K3011 >GLU~L 43 175.92 159.97 209.77 176.60 160.07 211.76 176.26 160.02 210.77 2 0 27.03 -999 ? C1 GOL P3034 >ARG~L 44 177.39 152.73 209.01 178.24 151.54 211.72 177.82 152.13 210.36 2 0 26.02 -999 ? O3 GOL K3011 >GLY~L 45 173.88 155.42 203.48 174.00 154.76 203.97 173.94 155.09 203.72 1 0 23.68 -999 ? O3 GOL K3011 >TYR~L 46 173.35 150.99 206.34 175.56 150.06 207.82 174.46 150.52 207.08 3 0 21.11 -999 ? O3 GOL K3011 >GLY~L 47 170.32 151.75 201.01 170.19 151.27 201.66 170.25 151.51 201.33 1 0 18.58 -999 ? O3 GOL K3011 >LEU~L 48 168.23 147.60 202.70 166.79 145.97 202.73 167.51 146.79 202.71 3 0 13.83 -999 ? O3 GOL K3011 >GLN~L 49 167.81 149.67 207.40 169.07 148.12 206.67 168.44 148.89 207.04 2 0 -17.16 -999 ? O3 GOL K3011s >MET~L 50 166.69 154.22 203.34 170.34 156.18 202.38 168.51 155.20 202.86 2 0 23.06 -999 ? O3 GOL K3011 >ARG~L 51 163.01 149.53 198.74 162.90 150.47 195.82 162.96 150.00 197.28 2 0 16.39 -999 ? O3 GOL K3011 >GLU~L 52 163.03 149.29 204.90 163.96 148.28 206.51 163.50 148.79 205.70 2 0 -16.81 -999 ? O3 GOL K3011s >LEU~L 53 163.39 156.17 205.27 164.38 156.69 207.08 163.88 156.43 206.18 3 0 23.90 -999 ? O3 GOL K3011 >ASP~L 54 161.13 155.54 200.38 162.83 156.50 199.58 161.98 156.02 199.98 2 0 22.45 -999 ? O3 GOL K3011 >ARG~L 55 158.05 151.49 200.24 157.97 153.99 198.35 158.01 152.74 199.30 2 0 21.00 -999 ? O3 GOL K3011 >GLU.L 56 158.53 155.21 207.26 159.92 155.54 208.73 159.22 155.38 208.00 2 0 24.71 -999 ? O3 GOL K3011 >PHE.L 57 157.77 160.20 203.86 159.29 160.90 206.10 158.53 160.55 204.98 3 0 23.86 -999 ? O1 GOL L3028 >GLY.L 58 152.51 158.63 201.46 152.89 159.37 201.52 152.70 159.00 201.49 1 0 20.77 -999 ? O3 GOL L3028 >GLU.L 59 151.12 161.98 196.76 151.01 161.70 194.66 151.07 161.84 195.71 2 0 17.63 -999 ? O3 GOL L3028 >LEU.L 60 146.11 161.58 199.75 144.09 160.83 199.82 145.10 161.21 199.78 3 0 15.06 -999 ? O3 GOL L3028 >LYS~L 61 146.71 163.98 195.55 147.88 159.76 190.94 147.30 161.87 193.25 2 0 18.93 -999 ? O3 GOL L3028 >GLU~L 62 144.62 169.85 195.72 145.14 171.64 194.63 144.88 170.75 195.17 2 0 6.90 -999 ? C3 GOL L3028 >GLU~L 63 142.67 167.29 191.27 141.24 168.94 191.33 141.96 168.12 191.30 2 0 9.87 -999 ? O3 GOL L3028 >THR~L 64 141.60 163.20 195.47 142.44 161.21 195.27 142.02 162.21 195.37 2 0 14.87 -999 ? O3 GOL L3028 >CYH~L 65 141.39 165.18 198.81 144.00 165.37 199.85 142.69 165.28 199.33 2 0 10.78 -999 ? O3 GOL L3028 >ARG~L 66 140.51 170.53 195.42 141.23 173.15 196.90 140.87 171.84 196.16 2 0 -3.01 -999 ? O3 GOL L3028s >THR~L 67 136.82 164.69 195.74 136.92 163.47 194.00 136.87 164.08 194.87 2 0 -13.61 -999 ? O3 GOL L3028s >ILE~L 68 137.58 162.62 200.10 138.38 161.72 200.73 137.98 162.17 200.42 3 0 13.70 -999 ? O1 GOL L3027 >ILE~L 69 136.24 167.73 200.74 136.94 168.70 201.44 136.59 168.22 201.09 3 0 8.97 -999 ? O3 GOL L3028 >ASP~L 70 133.34 166.97 196.27 132.03 168.03 194.96 132.69 167.50 195.61 2 0 -12.27 -999 ? O3 GOL L3028s >ILE~L 71 132.03 162.16 198.44 132.36 160.93 197.95 132.20 161.54 198.20 3 0 13.91 -999 ? O1 GOL L3027 >MET~L 72 130.77 164.66 202.04 133.91 163.86 204.67 132.34 164.26 203.35 2 0 8.56 -999 ? O1 GOL L3027 >GLU~L 73 129.44 170.32 199.72 128.69 171.38 201.39 129.06 170.85 200.56 2 0 5.94 -999 ? O3 GOL L3027 >MET~L 74 127.09 166.02 198.43 126.82 163.01 195.50 126.96 164.52 196.96 2 0 13.30 -999 ? CL CL L2009 >TYR~L 75 126.23 161.73 201.55 126.10 159.32 200.24 126.17 160.53 200.89 3 0 10.07 -999 ? CL CL L2009 >HIS~L 76 125.69 169.77 203.98 124.79 171.51 204.73 125.24 170.64 204.35 3 0 4.00 -999 ? O3 GOL L3027s >ALA~L 77 123.16 168.73 200.29 123.66 168.91 198.87 123.41 168.82 199.58 2 0 8.83 -999 ? CL CL L2009 >LEU~L 78 121.84 164.12 199.88 122.08 163.09 197.96 121.96 163.61 198.92 3 0 9.80 -999 ? CL CL L2009 >HIS~L 79 120.65 164.52 206.19 119.64 164.06 207.98 120.14 164.29 207.08 3 0 -4.09 -999 ? CL CL L2028s >VAL~L 80 119.43 168.99 204.21 120.36 170.93 204.70 119.89 169.96 204.45 3 0 -3.76 -999 ? CL CL L2028s >SER~L 81 117.25 168.62 201.10 118.49 169.09 199.06 117.87 168.86 200.08 2 0 8.97 -999 ? CL CL L2028 >TRP~L 82 114.77 162.30 202.99 115.21 162.18 206.89 114.99 162.24 204.94 3 0 8.52 -999 ? CL CL L2028 >SER~L 83 115.00 167.12 206.00 116.47 168.85 206.74 115.73 167.98 206.37 2 0 3.95 -999 ? CL CL L2028 >ASN~L 84 114.19 171.29 203.61 115.33 172.43 205.02 114.76 171.86 204.32 2 0 6.99 -999 ? CL CL L2028 >LEU.L 85 111.16 166.68 201.81 112.00 166.22 199.85 111.58 166.45 200.83 3 0 11.28 -999 ? CL CL L2028 >GLN.L 86 104.94 169.92 203.58 103.59 171.23 202.62 104.26 170.58 203.10 2 0 17.68 -999 ? CL CL L2028 >ASP.L 87 105.55 165.44 200.99 104.98 163.45 200.56 105.26 164.45 200.78 2 0 17.58 -999 ? CL CL L2028 >GLN.L 88 110.70 164.15 204.73 111.74 163.66 206.52 111.22 163.91 205.62 2 0 9.78 -999 ? CL CL L2028 >GLN.L 89 108.12 162.37 198.30 107.70 162.37 196.19 107.91 162.37 197.24 2 0 18.10 -999 ? CL CL L2028 >SER.L 90 109.40 157.99 202.62 109.24 155.84 203.62 109.32 156.92 203.12 2 0 17.15 -999 ? CL CL L2028 >ILE.L 91 113.67 159.60 200.62 114.25 160.35 199.70 113.96 159.97 200.16 3 0 12.95 -999 ? CL CL L2028 >ASP~L 92 115.70 154.99 203.31 116.12 153.70 204.91 115.91 154.34 204.11 2 0 15.46 -999 ? CL CL L2028 >GLU~L 93 118.11 159.89 208.04 117.71 160.95 209.86 117.91 160.42 208.95 2 0 8.05 -999 ? CL CL L2028 >ARG~L 94 121.28 153.19 204.82 123.22 151.93 206.95 122.25 152.56 205.88 2 0 15.79 -999 ? CL CL L2009 >ARG~L 95 118.02 154.26 199.66 118.36 154.13 196.59 118.19 154.19 198.13 2 0 18.19 -999 ? CL CL L2028 >VAL~L 96 120.83 160.23 202.38 119.21 161.78 202.35 120.02 161.00 202.36 3 0 9.12 -999 ? CL CL L2028 >THR~L 97 123.55 159.46 205.00 123.02 158.81 207.08 123.29 159.14 206.04 2 0 8.95 -999 ? CL CL L2009 >PHE.L 98 129.72 160.22 203.93 132.34 159.70 203.19 131.03 159.96 203.56 3 0 11.24 -999 ? CL CL L2009 >LEU.L 99 127.71 154.64 204.45 125.47 154.23 204.74 126.59 154.44 204.59 3 0 13.85 -999 ? CL CL L2009 >GLY.L 100 132.17 156.37 204.50 131.77 155.97 203.90 131.97 156.17 204.20 1 0 14.34 -999 ? CL CL L2009 >PHE.L 101 135.84 156.17 201.54 135.43 158.30 199.75 135.64 157.24 200.65 3 0 16.46 -999 ? O1 GOL L3027 >ASP.L 102 136.52 149.82 201.33 136.95 147.73 201.53 136.74 148.78 201.43 2 0 24.59 -999 ? CL CL L2009 >ALA.L 103 139.05 149.94 205.30 138.69 149.21 206.51 138.87 149.57 205.90 2 0 23.28 -999 ? O1 GOL L3027 >ALA.L 104 140.70 147.14 203.15 140.12 145.80 202.95 140.41 146.47 203.05 2 0 27.41 -999 ? O1 GOL L3027 >THR.L 105 141.08 148.74 199.62 139.85 147.56 198.24 140.46 148.15 198.93 2 0 27.05 -999 ? O1 GOL L3027 >GLU~L 106 138.12 152.20 198.93 136.10 152.63 198.56 137.11 152.41 198.74 2 0 21.37 -999 ? CL CL L2009 >ALA~L 107 142.34 153.05 203.42 143.49 152.09 203.85 142.91 152.57 203.64 2 0 23.12 -999 ? O1 GOL L3027 >ARG~L 108 146.49 155.54 199.73 145.94 157.11 197.11 146.22 156.32 198.42 2 0 19.25 -999 ? O3 GOL L3028 >TYR~L 109 139.89 156.88 199.30 141.02 156.55 196.75 140.46 156.72 198.02 3 0 18.94 -999 ? O3 GOL L3028 >LEU~L 110 138.54 155.08 205.64 137.33 154.40 207.38 137.94 154.74 206.51 3 0 17.85 -999 ? O1 GOL L3027 >GLY~L 111 141.84 158.00 206.82 141.29 158.38 206.30 141.56 158.19 206.56 1 0 17.00 -999 ? O1 GOL L3027 >TYR~L 112 141.53 163.06 203.38 141.93 165.73 202.75 141.73 164.39 203.06 3 0 12.13 -999 ? O3 GOL L3028 >VAL~L 113 137.57 161.30 206.14 135.70 160.24 205.65 136.63 160.77 205.89 3 0 11.97 -999 ? O1 GOL L3027 >ARG~L 114 138.87 157.00 210.52 138.32 154.00 210.96 138.59 155.50 210.74 2 0 18.80 -999 ? O1 GOL L3027 >PHE~L 115 143.34 164.74 208.58 145.01 166.94 208.86 144.17 165.84 208.72 3 0 14.06 -999 ? O1 GOL L3027 >MET~L 116 138.73 165.97 208.07 139.85 167.55 205.57 139.29 166.76 206.82 2 0 9.75 -999 ? O1 GOL L3027 >VAL~L 117 136.20 165.21 210.80 134.41 163.91 210.82 135.30 164.56 210.81 3 0 8.22 -999 ? O1 GOL L3027 >ASN~L 118 138.94 163.13 214.22 137.52 161.58 214.01 138.23 162.35 214.11 2 0 12.89 -999 ? O1 GOL L3027 >VAL~L 119 141.31 166.86 213.23 143.38 166.27 212.85 142.34 166.57 213.04 3 0 13.02 -999 ? O1 GOL L3027 >GLU.L 120 141.12 169.24 208.86 142.52 170.84 209.07 141.82 170.04 208.97 2 0 -11.39 -999 ? O1 GOL L3027s >GLY.L 121 136.45 169.43 212.70 136.52 169.43 211.87 136.49 169.43 212.29 1 0 7.11 -999 ? C1 GOL L3027 >ARG.L 122 134.93 170.64 205.87 134.58 171.85 203.07 134.76 171.24 204.47 2 0 -6.18 -999 ? O1 GOL L3027s >TYR.L 123 131.49 167.37 206.62 131.53 168.77 204.19 131.51 168.07 205.40 3 0 -4.18 -999 ? O1 GOL L3027s >THR.L 124 131.08 166.73 212.85 132.09 168.28 213.91 131.58 167.51 213.38 2 0 5.88 -999 ? C1 GOL L3027 >HIS.L 125 126.56 168.90 213.47 127.02 170.42 214.85 126.79 169.66 214.16 3 0 5.88 -999 ? O2 GOL L3027 >PHE.L 126 128.34 164.15 207.99 128.07 165.52 205.63 128.21 164.83 206.81 3 0 5.20 -999 ? CL CL L2009 >ASP.L 127 124.97 159.68 211.55 124.68 157.87 212.62 124.82 158.78 212.09 2 0 11.05 -999 ? CL CL L2009 >ALA.L 128 129.58 158.29 211.87 130.69 158.48 212.90 130.14 158.39 212.39 2 0 12.59 -999 ? CL CL L2009 >GLY.L 129 127.66 155.03 212.10 128.14 155.43 212.70 127.90 155.23 212.40 1 0 13.94 -999 ? CL CL L2009 >THR.L 130 128.87 152.43 214.57 127.25 150.97 214.46 128.06 151.70 214.52 2 0 18.38 -999 ? CL CL L2009 >HIS.L 131 131.63 149.73 212.78 130.46 148.21 213.64 131.04 148.97 213.21 3 0 20.79 -999 ? CL CL L2009 >GLY.L 132 133.68 155.67 212.39 133.37 155.15 211.84 133.53 155.41 212.12 1 0 16.20 -999 ? CL CL L2009 >PHE.L 133 132.81 158.45 208.85 131.53 160.71 209.89 132.17 159.58 209.37 3 0 11.68 -999 ? CL CL L2009 >ASN.L 134 134.78 151.23 208.60 135.91 149.70 207.44 135.35 150.47 208.02 2 0 21.61 -999 ? CL CL L2009 >ALA.L 135 131.31 151.62 205.34 131.24 152.15 203.93 131.27 151.88 204.63 2 0 17.56 -999 ? CL CL L2009 >GLN.L 136 131.34 147.25 207.18 131.44 147.41 209.32 131.39 147.33 208.25 2 0 21.70 -999 ? CL CL L2009 >THR.L 137 131.71 147.90 201.64 129.52 147.66 201.68 130.61 147.78 201.66 2 0 21.63 -999 ? CL CL L2009 >PRO.L 138 134.29 147.37 198.22 133.43 149.14 199.32 133.86 148.25 198.77 3 0 23.54 -999 ? CL CL L2009 >MET~L 139 132.34 153.01 197.84 129.90 152.21 199.16 131.12 152.61 198.50 2 0 18.62 -999 ? CL CL L2009 >TRP~L 140 136.88 155.84 193.14 137.92 159.04 195.12 137.40 157.44 194.13 3 0 19.07 -999 ? O3 GOL L3028 >GLU~L 141 132.89 153.36 189.75 130.85 152.81 189.78 131.87 153.09 189.77 2 0 22.39 -999 ? C3 GOL O3013 >LYS~L 142 129.76 154.52 193.42 128.34 149.37 194.11 129.05 151.94 193.77 2 0 23.18 -999 ? CL CL L2009 >TYR~L 143 131.10 157.77 197.34 130.52 156.95 199.97 130.81 157.36 198.65 3 0 15.30 -999 ? CL CL L2009 >GLN~L 144 134.07 157.87 191.59 134.72 159.48 192.82 134.40 158.68 192.20 2 0 18.25 -999 ? O3 GOL L3028 >ARG~L 145 129.45 155.66 188.12 131.98 157.11 187.19 130.71 156.39 187.66 2 0 21.94 -999 ? C3 GOL O3013 >MET~L 146 126.50 159.97 192.49 125.89 158.17 196.20 126.19 159.07 194.34 2 0 14.98 -999 ? CL CL L2009 >LEU~L 147 130.20 163.09 192.22 131.33 163.62 193.98 130.76 163.35 193.10 3 0 -16.60 -999 ? CL CL L2009s >ASN~L 148 128.43 161.78 187.33 130.41 161.66 186.63 129.42 161.72 186.98 2 0 21.20 -999 ? O3 GOL L3028 >VAL~L 149 124.47 163.16 188.73 122.84 161.70 188.85 123.66 162.43 188.79 3 0 19.54 -999 ? CL CL L2009 >TRP~L 150 124.03 167.33 194.23 127.41 168.49 195.83 125.72 167.91 195.03 3 0 12.70 -999 ? CL CL L2009 >HIS~L 151 129.06 168.07 190.57 130.17 168.32 192.34 129.61 168.19 191.46 3 0 -15.32 -999 ? O3 GOL L3028s >ALA~L 152 124.44 167.85 186.64 124.25 166.61 185.88 124.35 167.23 186.26 2 0 21.76 -999 ? CL CL L2009 >CYH.L 153 121.51 169.13 188.69 120.63 167.06 190.29 121.07 168.10 189.49 2 0 17.58 -999 ? CL CL L2028 >PRO.L 154 118.85 172.44 187.22 120.94 172.07 187.92 119.89 172.25 187.57 3 0 20.63 -999 ? CL CL L2028 >ARG.L 155 117.81 174.80 193.27 115.12 175.12 194.77 116.47 174.96 194.02 2 0 15.58 -999 ? CL CL L2028 >GLN.L 156 124.83 171.13 192.63 126.96 171.33 192.43 125.90 171.23 192.53 2 0 14.86 -999 ? O3 GOL L3027 >TYR.L 157 123.19 173.24 198.15 125.89 172.62 198.32 124.54 172.93 198.24 3 0 9.71 -999 ? O3 GOL L3027 >HIS.L 158 117.45 174.63 198.96 118.55 176.04 200.05 118.00 175.33 199.50 3 0 11.11 -999 ? CL CL L2028 >LEU.L 159 117.85 168.14 195.82 119.91 168.00 195.16 118.88 168.07 195.49 3 0 12.41 -999 ? CL CL L2028 >SER~L 160 113.54 167.89 194.95 113.64 167.08 192.66 113.59 167.48 193.81 2 0 16.58 -999 ? CL CL L2028 >ALA~L 161 112.60 164.38 195.89 111.17 163.97 196.35 111.88 164.17 196.12 2 0 15.25 -999 ? CL CL L2028 >ASN~L 162 112.25 163.92 191.15 110.27 164.53 191.77 111.26 164.23 191.46 2 0 19.26 -999 ? CL CL L2028 >GLU~L 163 116.58 166.98 191.20 116.69 169.04 191.44 116.63 168.01 191.32 2 0 16.77 -999 ? CL CL L2028 >ILE~L 164 116.65 163.26 196.87 116.48 163.58 198.22 116.56 163.42 197.55 3 0 11.96 -999 ? CL CL L2028 >ASN~L 165 114.71 159.55 193.76 113.48 159.11 195.49 114.10 159.33 194.62 2 0 16.81 -999 ? CL CL L2028 >GLN~L 166 116.52 161.43 189.18 115.71 163.43 188.74 116.11 162.43 188.96 2 0 20.21 -999 ? CL CL L2028 >ILE~L 167 121.72 162.11 193.64 122.22 163.36 193.96 121.97 162.73 193.80 3 0 14.81 -999 ? CL CL L2009 >ILE~L 168 120.18 158.16 196.71 119.15 158.68 197.57 119.66 158.42 197.14 3 0 14.57 -999 ? CL CL L2028 >ASN~L 169 118.50 155.71 192.04 116.85 155.24 193.31 117.67 155.48 192.67 2 0 19.82 -999 ? CL CL L2028 >ALA.L 170 123.01 156.39 190.65 123.83 157.72 190.60 123.42 157.06 190.63 2 0 19.71 -999 ? CL CL L2009 >GLU.M 4 168.05 195.36 174.90 169.23 194.67 173.26 168.64 195.01 174.08 2 0 9.58 -999 ? CL CL I2007 >SER~M 5 167.30 197.56 178.81 168.60 197.85 180.89 167.95 197.71 179.85 2 0 14.53 -999 ? O2 GOL M3007 >THR~M 6 169.68 200.48 178.31 168.86 202.22 179.41 169.27 201.35 178.86 2 0 12.74 -999 ? CL CL I2007 >MET~M 7 172.26 198.39 180.26 171.25 198.21 184.37 171.75 198.30 182.32 2 0 12.05 -999 ? O2 GOL M3007 >GLU~M 8 170.87 194.05 178.21 169.19 192.83 177.76 170.03 193.44 177.98 2 0 14.09 -999 ? CL CL I2007 >MET~M 9 173.02 198.55 174.66 173.55 202.65 175.29 173.29 200.60 174.97 2 0 8.94 -999 ? CL CL I2007 >THR~M 10 175.98 198.02 172.35 175.15 197.65 170.44 175.56 197.83 171.39 2 0 6.87 -999 ? CL CL I2007 >ASN~M 11 180.57 199.77 172.35 181.29 199.01 174.20 180.93 199.39 173.27 2 0 13.05 -999 ? CL CL I2007 >ALA~M 12 178.00 201.70 169.09 177.54 200.98 167.83 177.77 201.34 168.46 2 0 6.80 -999 ? CL CL I2007 >GLN~M 13 172.93 201.23 170.01 171.59 199.64 170.49 172.26 200.43 170.25 2 0 -4.20 -999 ? CL CL I2007s >ARG~M 14 177.02 202.54 176.79 178.85 201.28 179.05 177.94 201.91 177.92 2 0 14.61 -999 ? CL CL I2007 >LEU~M 15 179.74 205.68 170.43 181.48 206.76 169.78 180.61 206.22 170.11 3 0 11.30 -999 ? CL CL I2007 >ILE~M 16 174.66 206.62 168.83 173.90 206.13 167.76 174.28 206.38 168.29 3 0 6.08 -999 ? CL CL I2007 >LEU~M 17 173.62 207.62 173.98 171.58 206.93 174.09 172.60 207.27 174.03 3 0 9.25 -999 ? CL CL I2001 >SER~M 18 177.31 210.15 174.21 179.68 210.41 174.63 178.50 210.28 174.42 2 0 11.79 -999 ? CL CL I2001 >ASN~M 19 177.80 211.54 169.57 179.70 210.70 169.05 178.75 211.12 169.31 2 0 8.72 -999 ? CL CL I2001 >GLN~M 20 172.37 211.59 170.19 170.37 210.81 170.36 171.37 211.20 170.28 2 0 -4.49 -999 ? CL CL I2001s >TYR~M 21 173.68 213.02 176.47 171.32 211.57 177.01 172.50 212.30 176.74 3 0 10.54 -999 ? CL CL I2001 >LYS~M 22 177.61 216.43 173.42 182.96 212.88 173.24 180.28 214.65 173.33 2 0 13.38 -999 ? CL CL I2001 >MET~M 23 175.52 217.83 170.56 175.11 215.89 167.00 175.31 216.86 168.78 2 0 5.22 -999 ? CL CL I2001 >MET~M 24 172.68 218.76 172.96 170.45 215.46 173.76 171.57 217.11 173.36 2 0 8.31 -999 ? CL CL I2001 >THR~M 25 175.23 220.80 175.01 176.64 220.29 176.54 175.93 220.54 175.77 2 0 14.08 -999 ? CL CL I2001 >MET~M 26 176.45 222.50 171.85 178.69 220.21 169.25 177.57 221.36 170.55 2 0 11.18 -999 ? CL CL I2001 >LEU~M 27 171.81 222.35 170.42 171.65 221.33 168.55 171.73 221.84 169.48 3 0 10.24 -999 ? CL CL I2001 >ASP~M 28 170.27 223.20 174.57 168.89 223.83 176.08 169.58 223.51 175.33 2 0 15.52 -999 ? CL CL I2001 >PRO.M 29 174.31 227.25 175.22 173.70 225.28 176.14 174.00 226.26 175.68 3 0 17.17 -999 ? CL CL I2001 >ALA.M 30 171.56 226.40 179.34 170.20 227.02 179.04 170.88 226.71 179.19 2 0 19.68 -999 ? CL CL I2001 >ASN~M 31 169.82 222.03 179.48 168.08 223.12 179.98 168.95 222.58 179.73 2 0 17.43 -999 ? O1 GOL M3007 >ALA~M 32 174.72 221.62 179.85 175.89 222.50 179.79 175.31 222.06 179.82 2 0 17.60 -999 ? CL CL I2001 >GLU~M 33 173.63 220.13 185.95 172.97 221.25 187.66 173.30 220.69 186.81 2 0 12.64 -999 ? O1 GOL M3007 >ARG~M 34 167.85 218.77 182.40 165.86 219.39 184.74 166.86 219.08 183.57 2 0 12.31 -999 ? O1 GOL M3007 >TYR~M 35 172.26 218.21 177.69 169.95 219.60 176.96 171.10 218.90 177.32 3 0 13.00 -999 ? CL CL I2001 >ARG~M 36 179.97 216.30 180.98 181.48 213.82 180.04 180.73 215.06 180.51 2 0 16.07 -999 ? O1 GOL M3007 >ARG~M 37 172.69 214.03 186.60 170.63 211.79 186.52 171.66 212.91 186.56 2 0 -4.64 -999 ? O1 GOL M3007s >LEU~M 38 172.47 212.20 180.39 170.40 212.02 180.93 171.44 212.11 180.66 3 0 10.21 -999 ? O1 GOL M3007 >GLN~M 39 178.82 212.55 177.68 180.04 214.28 177.29 179.43 213.42 177.49 2 0 14.09 -999 ? CL CL I2001 >THR~M 40 178.75 210.50 182.26 179.67 211.49 183.92 179.21 211.00 183.09 2 0 11.81 -999 ? O1 GOL M3007 >ILE~M 41 174.64 208.18 183.28 173.47 208.24 183.99 174.06 208.21 183.64 3 0 7.91 -999 ? O1 GOL M3007 >ILE~M 42 175.86 207.21 178.20 174.82 206.40 177.78 175.34 206.80 177.99 3 0 13.11 -999 ? CL CL I2007 >GLU~M 43 180.74 208.70 177.96 181.77 210.50 177.78 181.26 209.60 177.87 2 0 15.49 -999 ? CL CL I2001 >ARG~M 44 182.09 207.66 185.06 183.17 210.24 186.35 182.63 208.95 185.70 2 0 13.46 -999 ? C1 GOL M3007 >GLY~M 45 177.90 202.61 182.31 178.11 203.05 182.95 178.01 202.83 182.63 1 0 13.07 -999 ? O1 GOL M3007 >TYR~M 46 177.66 205.48 186.74 179.98 206.70 187.65 178.82 206.09 187.19 3 0 9.52 -999 ? C1 GOL M3007 >GLY~M 47 173.95 200.63 186.00 173.90 201.28 186.46 173.92 200.95 186.23 1 0 10.19 -999 ? O2 GOL M3007 >LEU~M 48 172.08 202.51 190.05 170.62 202.87 191.63 171.35 202.69 190.84 3 0 5.05 -999 ? C3 GOL M3007 >GLN~M 49 172.36 207.31 187.85 173.41 206.43 189.48 172.89 206.87 188.67 2 0 -4.12 -999 ? C1 GOL M3007s >MET~M 50 170.79 203.29 183.55 174.14 202.00 181.52 172.47 202.64 182.53 2 0 12.16 -999 ? O1 GOL M3007 >ARG~M 51 166.66 199.07 188.11 163.90 199.62 189.28 165.28 199.34 188.69 2 0 -9.68 -999 ? O2 GOL M3007s >GLU~M 52 167.24 205.49 188.41 168.46 206.85 189.44 167.85 206.17 188.92 2 0 2.53 -999 ? O2 GOL M3007s >LEU~M 53 167.71 205.67 181.49 169.01 207.36 180.93 168.36 206.51 181.21 3 0 9.70 -999 ? O1 GOL M3007 >ASP~M 54 164.95 201.02 181.99 166.71 200.19 181.24 165.83 200.61 181.62 2 0 13.03 -999 ? O2 GOL M3007 >ARG~M 55 162.29 201.15 185.73 159.83 200.25 187.37 161.06 200.70 186.55 2 0 12.49 -999 ? O2 GOL M3007 >GLU~M 56 163.29 208.10 182.55 164.69 209.62 182.16 163.99 208.86 182.35 2 0 9.79 -999 ? O1 GOL M3007 >PHE.M 57 162.02 204.93 177.49 163.77 206.97 176.73 162.90 205.95 177.11 3 0 13.69 -999 ? CL CL I2007 >GLY.M 58 156.56 202.96 179.07 156.91 202.98 178.30 156.73 202.97 178.68 1 0 18.41 -999 ? O2 GOL M3007 >GLU.M 59 154.66 198.25 177.60 153.49 196.88 176.48 154.08 197.56 177.04 2 0 20.39 -999 ? CL CL I2007 >LEU.M 60 150.00 202.07 175.99 147.97 202.35 176.70 148.99 202.21 176.34 3 0 19.01 -999 ? O1 GOL M3043 >LYS~M 61 150.09 197.87 173.54 150.10 192.15 176.50 150.09 195.01 175.02 2 0 24.74 -999 ? CL CL I2007 >GLU~M 62 148.09 198.35 167.82 148.51 197.28 166.06 148.30 197.81 166.94 2 0 18.60 -999 ? O3 GOL M3042 >GLU~M 63 145.53 194.15 170.27 144.03 194.27 168.71 144.78 194.21 169.49 2 0 17.44 -999 ? O3 GOL M3042 >THR~M 64 144.87 198.36 174.46 145.82 198.07 176.32 145.34 198.21 175.39 2 0 19.60 -999 ? O1 GOL M3043 >CYH~M 65 145.12 201.70 172.55 147.89 202.48 172.23 146.50 202.09 172.39 2 0 16.13 -999 ? O1 GOL M3043 >ARG~M 66 143.89 198.49 167.11 144.75 199.90 164.48 144.32 199.20 165.79 2 0 -13.90 -999 ? O3 GOL M3042s >THR~M 67 140.30 199.27 172.95 140.11 197.51 174.22 140.20 198.39 173.58 2 0 -15.94 -999 ? O3 GOL M3042s >ILE~M 68 141.59 203.44 175.10 142.49 203.90 175.98 142.04 203.67 175.54 3 0 13.78 -999 ? O1 GOL M3043 >ILE~M 69 140.25 204.38 169.92 141.00 204.95 168.93 140.63 204.66 169.43 3 0 8.95 -999 ? O1 GOL M3043 >ASP~M 70 136.87 200.18 170.79 135.36 199.08 169.77 136.12 199.63 170.28 2 0 -9.98 -999 ? O3 GOL M3042s >ILE~M 71 135.90 202.44 175.52 136.21 201.89 176.69 136.05 202.17 176.11 3 0 13.86 -999 ? O1 GOL M3043 >MET~M 72 135.07 206.19 173.07 138.51 208.44 173.88 136.79 207.32 173.48 2 0 8.76 -999 ? C1 GOL M3043 >GLU~M 73 133.35 204.22 167.43 132.84 205.99 166.43 133.09 205.10 166.93 2 0 -3.31 -999 ? O3 GOL M3042s >MET~M 74 130.94 203.10 171.65 130.42 200.24 174.69 130.68 201.67 173.17 2 0 12.98 -999 ? O3 GOL M3042 >TYR~M 75 130.62 206.12 176.17 130.27 204.76 178.58 130.44 205.44 177.37 3 0 10.36 -999 ? CL CL M2017 >HIS~M 76 130.15 208.85 168.09 129.36 209.65 166.31 129.75 209.25 167.20 3 0 4.78 -999 ? C1 GOL M3042s >ALA~M 77 127.30 205.48 169.06 127.68 204.04 168.84 127.49 204.76 168.95 2 0 6.98 -999 ? C2 GOL M3042 >LEU~M 78 125.90 205.10 173.70 125.89 203.16 174.70 125.90 204.13 174.20 3 0 10.08 -999 ? CL CL M2017 >HIS~M 79 125.50 211.59 173.52 124.72 213.49 173.99 125.11 212.54 173.76 3 0 -4.31 -999 ? CL CL M2029s >VAL~M 80 124.02 209.65 168.96 125.03 209.83 167.05 124.52 209.74 168.00 3 0 4.21 -999 ? CL CL M2029 >SER~M 81 121.49 206.79 169.24 122.66 204.72 168.74 122.07 205.76 168.99 2 0 9.17 -999 ? C1 GOL M3042 >TRP~M 82 119.56 208.61 175.82 120.25 212.49 175.98 119.90 210.55 175.90 3 0 8.91 -999 ? CL CL M2029 >SER~M 83 119.79 211.86 171.05 121.18 212.22 169.09 120.49 212.04 170.07 2 0 4.48 -999 ? CL CL M2029 >ASN~M 84 118.35 209.44 167.10 119.51 210.52 165.71 118.93 209.98 166.40 2 0 7.69 -999 ? CL CL M2029 >LEU.M 85 115.44 208.17 171.91 116.12 206.11 172.08 115.78 207.14 171.99 3 0 11.82 -999 ? CL CL M2029 >GLN.M 86 110.35 211.54 168.41 108.34 211.27 167.68 109.35 211.41 168.05 2 0 17.34 -999 ? CL CL M2029 >ASP.M 87 110.66 206.85 172.60 111.98 205.98 171.10 111.32 206.41 171.85 2 0 15.51 -999 ? CL CL M2029 >GLN.M 88 116.06 210.75 174.87 116.94 212.63 175.38 116.50 211.69 175.13 2 0 10.32 -999 ? CL CL M2029 >GLN.M 89 112.82 203.96 177.72 111.42 203.29 176.26 112.12 203.62 176.99 2 0 18.60 -999 ? CL CL M2029 >SER.M 90 113.89 206.28 181.50 111.96 205.47 182.88 112.93 205.87 182.19 2 0 20.58 -999 ? CL CL M2029 >ILE.M 91 117.84 206.44 178.74 118.24 205.61 177.75 118.04 206.02 178.25 3 0 13.65 -999 ? CL CL M2029 >ASP~M 92 120.06 209.18 183.48 121.50 210.55 184.17 120.78 209.87 183.82 2 0 15.40 -999 ? CL CL M2029 >GLU~M 93 123.31 213.00 178.36 123.21 215.02 177.75 123.26 214.01 178.06 2 0 8.60 -999 ? CL CL M2029 >ARG~M 94 126.25 211.46 185.79 129.25 212.02 186.24 127.75 211.74 186.01 2 0 15.98 -999 ? CL CL M2017 >ARG~M 95 122.27 205.29 183.68 122.29 202.20 183.61 122.28 203.74 183.64 2 0 18.31 -999 ? CL CL M2029 >VAL~M 96 125.40 207.42 177.88 123.78 207.46 176.33 124.59 207.44 177.10 3 0 9.72 -999 ? CL CL M2029 >THR~M 97 128.36 209.80 178.57 127.99 211.95 179.07 128.17 210.88 178.82 2 0 8.90 -999 ? CL CL M2017 >PHE.M 98 134.29 208.09 177.60 136.84 206.99 178.00 135.56 207.54 177.80 3 0 11.28 -999 ? CL CL M2017 >LEU.M 99 132.61 208.78 183.22 130.76 209.95 183.74 131.69 209.36 183.48 3 0 13.91 -999 ? CL CL M2017 >GLY.M 100 136.99 208.10 181.48 136.55 207.56 181.91 136.77 207.83 181.70 1 0 14.53 -999 ? CL CL M2017 >PHE.M 101 140.23 204.88 181.56 139.51 203.37 179.33 139.87 204.13 180.44 3 0 16.71 -999 ? C1 GOL M3043 >ASP.M 102 140.74 204.70 188.01 141.33 204.99 189.98 141.04 204.84 189.00 2 0 24.52 -999 ? CL CL M2017 >ALA.M 103 143.77 208.24 187.66 143.68 209.57 188.29 143.72 208.90 187.97 2 0 23.16 -999 ? C1 GOL M3043 >ALA.M 104 145.12 206.09 190.53 144.39 205.96 191.83 144.75 206.03 191.18 2 0 24.70 -999 ? O2 GOL M3007 >THR.M 105 145.11 202.54 189.01 143.57 201.62 190.19 144.34 202.08 189.60 2 0 24.57 -999 ? C1 GOL L3028 >GLU~M 106 142.15 202.05 185.59 140.16 201.82 184.97 141.15 201.93 185.28 2 0 21.48 -999 ? CL CL M2017 >ALA~M 107 146.87 206.02 184.65 148.06 206.37 185.60 147.46 206.20 185.13 2 0 21.92 -999 ? O2 GOL M3007 >ARG~M 108 150.62 202.12 182.01 149.56 199.68 180.53 150.09 200.90 181.27 2 0 23.14 -999 ? O1 GOL M3043 >TYR~M 109 143.85 202.19 180.75 144.68 199.53 181.04 144.26 200.86 180.90 3 0 20.13 -999 ? O1 GOL M3043 >LEU~M 110 143.49 208.34 182.71 142.65 210.11 183.53 143.07 209.23 183.12 3 0 18.24 -999 ? C1 GOL M3043 >GLY~M 111 146.83 209.40 179.72 146.17 209.01 179.39 146.50 209.20 179.55 1 0 17.25 -999 ? C1 GOL M3043 >TYR~M 112 145.86 206.20 174.56 146.17 205.67 171.86 146.01 205.94 173.21 3 0 13.51 -999 ? O1 GOL M3043 >VAL~M 113 142.36 209.43 176.39 140.47 209.10 177.38 141.41 209.26 176.89 3 0 12.06 -999 ? C1 GOL M3043 >ARG~M 114 144.35 213.37 180.84 143.79 213.88 183.80 144.07 213.62 182.32 2 0 18.40 -999 ? O3 GOL M3043 >PHE~M 115 148.25 211.20 172.94 149.92 211.22 170.71 149.09 211.21 171.83 3 0 13.72 -999 ? O3 GOL M3043 >MET~M 116 143.71 211.31 171.77 144.50 208.68 170.12 144.11 209.99 170.95 2 0 9.80 -999 ? O1 GOL M3043 >VAL~M 117 141.50 214.29 172.60 139.69 214.40 173.82 140.60 214.34 173.21 3 0 7.45 -999 ? O3 GOL M3043 >ASN~M 118 144.69 217.23 174.75 143.27 217.31 176.29 143.98 217.27 175.52 2 0 11.47 -999 ? O3 GOL M3043 >VAL~M 119 146.80 216.10 170.85 148.81 215.45 171.39 147.80 215.78 171.12 3 0 11.54 -999 ? O3 GOL M3043 >GLU.M 120 146.06 211.81 168.53 147.94 211.97 167.50 147.00 211.89 168.01 2 0 -11.44 -999 ? O3 GOL M3043s >GLY.M 121 141.94 216.17 168.34 141.94 215.38 168.32 141.94 215.78 168.33 1 0 -5.10 -999 ? O3 GOL M3043s >ARG.M 122 139.60 209.60 166.99 138.90 206.81 165.93 139.25 208.21 166.46 2 0 -5.48 -999 ? O1 GOL M3043s >TYR.M 123 136.30 210.69 170.36 136.06 208.30 168.99 136.18 209.50 169.67 3 0 -4.30 -999 ? O1 GOL M3043s >THR.M 124 136.62 216.95 171.00 137.70 217.86 169.34 137.16 217.40 170.17 2 0 -3.47 -999 ? O3 GOL M3043s >HIS.M 125 132.19 217.95 169.15 132.87 219.15 167.56 132.53 218.55 168.36 3 0 4.98 -999 ? C3 GOL M3043 >PHE.M 126 133.46 212.33 173.77 132.84 210.01 172.37 133.15 211.17 173.07 3 0 5.24 -999 ? CL CL M2017 >ASP.M 127 130.79 216.32 178.32 129.76 218.07 177.66 130.28 217.19 177.99 2 0 9.06 -999 ? CL CL M2017 >ALA.M 128 135.37 215.97 179.88 136.60 216.85 179.62 135.99 216.41 179.75 2 0 12.66 -999 ? CL CL M2017 >GLY.M 129 133.41 216.38 183.16 134.04 216.71 183.09 133.73 216.55 183.12 1 0 14.05 -999 ? CL CL M2017 >THR.M 130 135.43 218.76 185.50 133.69 218.74 186.92 134.56 218.75 186.21 2 0 18.25 -999 ? CL CL M2017 >HIS.M 131 137.94 216.13 188.51 137.11 217.01 190.24 137.53 216.57 189.38 3 0 21.22 -999 ? CL CL M2017 >GLY.M 132 139.37 215.92 182.33 139.07 215.36 182.86 139.22 215.64 182.60 1 0 15.75 -999 ? O3 GOL M3043 >PHE.M 133 138.05 212.57 179.55 136.90 213.80 177.31 137.47 213.18 178.43 3 0 11.73 -999 ? CL CL M2017 >ASN.M 134 140.32 211.77 186.52 140.85 210.60 188.28 140.59 211.19 187.40 2 0 21.64 -999 ? CL CL M2017 >ALA.M 135 136.61 208.69 186.51 136.19 207.38 185.80 136.40 208.04 186.15 2 0 17.94 -999 ? CL CL M2017 >GLN.M 136 138.25 210.81 190.71 137.04 212.45 191.40 137.64 211.63 191.05 2 0 22.58 -999 ? CL CL M2017 >THR.M 137 137.14 204.63 190.01 135.11 203.99 190.03 136.13 204.31 190.02 2 0 22.49 -999 ? CL CL M2017 >PRO.M 138 139.33 201.01 190.04 138.10 202.12 188.49 138.72 201.56 189.27 3 0 24.12 -999 ? CL CL M2017 >MET~M 139 136.47 201.40 184.61 133.91 203.18 185.50 135.19 202.29 185.06 2 0 18.68 -999 ? CL CL M2017 >TRP~M 140 140.33 196.32 181.61 141.36 198.32 178.41 140.84 197.32 180.01 3 0 20.58 -999 ? O1 GOL M3043 >GLU~M 141 137.93 194.30 185.04 137.74 193.05 186.86 137.83 193.67 185.95 2 0 19.50 -999 ? O2 GOL L3028 >LYS~M 142 133.20 197.60 183.11 127.92 198.39 183.89 130.56 197.99 183.50 2 0 19.90 -999 ? CL CL M2017 >TYR~M 143 134.88 201.35 179.85 134.66 203.97 180.76 134.77 202.66 180.30 3 0 15.40 -999 ? CL CL M2017 >GLN~M 144 137.26 195.03 179.49 137.97 196.37 178.00 137.61 195.70 178.75 2 0 18.53 -999 ? O3 GOL M3042 >ARG~M 145 131.12 192.72 183.38 131.87 195.02 185.33 131.49 193.87 184.35 2 0 23.51 -999 ? CL CL M2017 >MET~M 146 129.79 197.11 177.75 129.82 200.68 179.72 129.80 198.89 178.73 2 0 15.43 -999 ? CL CL M2017 >LEU~M 147 133.38 196.49 174.51 134.65 198.16 174.04 134.02 197.33 174.27 3 0 -14.14 -999 ? O3 GOL M3042s >ASN~M 148 131.01 191.89 175.87 130.74 189.82 175.52 130.88 190.85 175.70 2 0 20.35 -999 ? O3 GOL M3042 >VAL~M 149 127.17 193.72 174.49 125.65 194.02 176.05 126.41 193.87 175.27 3 0 18.05 -999 ? O3 GOL M3042 >TRP~M 150 127.35 199.32 170.42 130.91 200.46 169.17 129.13 199.89 169.80 3 0 9.50 -999 ? O3 GOL M3042 >HIS~M 151 131.91 195.13 169.59 133.22 196.76 169.40 132.57 195.94 169.50 3 0 -11.81 -999 ? O3 GOL M3042s >ALA~M 152 126.80 191.62 169.83 126.50 190.81 171.04 126.65 191.21 170.44 2 0 17.99 -999 ? O3 GOL M3042 >CYH~M 153 124.18 194.08 168.46 123.60 195.77 170.58 123.89 194.92 169.52 2 0 14.73 -999 ? C2 GOL M3042 >PRO.M 154 121.52 192.71 165.22 123.68 193.29 165.46 122.60 193.00 165.34 3 0 15.35 -999 ? O2 GOL M3042 >ARG.M 155 121.45 199.58 162.40 118.88 198.67 163.91 120.17 199.13 163.16 2 0 12.99 -999 ? O1 GOL M3042 >GLN.M 156 128.00 197.52 166.52 130.05 197.23 166.19 129.02 197.37 166.35 2 0 -9.47 -999 ? O3 GOL M3042s >TYR.M 157 127.03 203.34 164.58 129.75 203.18 165.07 128.39 203.26 164.83 3 0 -4.16 -999 ? C2 GOL M3042s >HIS.M 158 121.40 205.18 163.43 122.55 206.46 162.23 121.98 205.82 162.83 3 0 6.42 -999 ? O1 GOL M3042 >LEU.M 159 121.55 201.64 169.75 123.57 200.68 169.84 122.56 201.16 169.80 3 0 11.51 -999 ? C2 GOL M3042 >SER~M 160 117.14 201.18 170.14 116.95 198.87 170.89 117.05 200.03 170.52 2 0 16.87 -999 ? O1 GOL M3042 >ALA~M 161 116.51 202.27 173.73 115.26 203.00 174.25 115.89 202.63 173.99 2 0 15.37 -999 ? CL CL M2029 >ASN~M 162 115.58 197.49 173.95 115.83 195.56 174.88 115.70 196.52 174.41 2 0 21.06 -999 ? CL CL M2029 >GLU~M 163 119.51 197.10 170.73 120.12 197.15 168.74 119.82 197.13 169.74 2 0 14.80 -999 ? C2 GOL M3042 >ILE~M 164 120.57 202.61 174.68 120.65 203.99 174.31 120.61 203.30 174.49 3 0 12.34 -999 ? CL CL M2029 >ASN~M 165 118.38 199.68 178.54 117.52 201.51 179.22 117.95 200.59 178.88 2 0 17.33 -999 ? CL CL M2029 >GLN~M 166 119.90 194.72 176.46 120.18 192.88 175.40 120.04 193.80 175.93 2 0 21.00 -999 ? C2 GOL M3042 >ILE~M 167 125.18 198.90 175.70 125.62 199.17 174.52 125.40 199.03 175.11 3 0 15.09 -999 ? CL CL M2017 >ILE~M 168 124.08 201.83 179.99 123.13 202.85 179.25 123.61 202.34 179.62 3 0 15.08 -999 ? CL CL M2017 >ASN~M 169 122.14 197.16 182.25 120.57 198.65 182.36 121.36 197.91 182.30 2 0 20.21 -999 ? CL CL M2029 >ALA.M 170 126.38 195.21 181.34 127.27 195.23 180.08 126.82 195.22 180.71 2 0 20.25 -999 ? CL CL M2017 >GLN.N 3 179.96 158.79 143.19 179.96 160.86 143.77 179.96 159.83 143.48 2 0 18.78 -999 ? C1 GOL N3044 >GLU.N 4 171.67 159.43 143.17 170.71 161.26 143.65 171.19 160.34 143.41 2 0 18.86 -999 ? CL CL J2002 >SER~N 5 172.28 155.21 141.70 170.83 153.21 141.46 171.56 154.21 141.58 2 0 14.30 -999 ? C3 GOL N3008 >THR~N 6 170.33 155.62 138.46 171.19 154.25 136.93 170.76 154.93 137.69 2 0 12.60 -999 ? C3 GOL N3008 >MET~N 7 167.35 154.26 140.51 167.85 150.18 141.60 167.60 152.22 141.06 2 0 11.99 -999 ? O1 GOL N3008 >GLU~N 8 168.83 156.63 144.46 167.27 156.30 145.82 168.05 156.47 145.14 2 0 19.42 -999 ? O1 GOL N3008 >MET~N 9 167.27 159.82 139.53 167.17 158.66 135.55 167.22 159.24 137.54 2 0 13.35 -999 ? CL CL J2002 >THR~N 10 164.56 162.40 139.35 165.51 164.30 139.70 165.04 163.35 139.53 2 0 15.49 -999 ? CL CL J2002 >ASN~N 11 160.32 162.66 137.06 159.27 161.03 137.96 159.79 161.85 137.51 2 0 18.16 -999 ? CL CL J2002 >ALA~N 12 163.48 165.42 135.05 164.03 166.67 135.70 163.75 166.04 135.38 2 0 12.56 -999 ? CL CL J2002 >GLN~N 13 168.23 163.96 136.43 169.21 163.59 138.24 168.72 163.78 137.33 2 0 -13.21 -999 ? CL CL J2002s >ARG~N 14 163.48 157.63 135.35 161.30 155.86 136.73 162.39 156.75 136.04 2 0 15.89 -999 ? C3 GOL N3008 >LEU~N 15 162.06 163.90 131.19 160.50 164.64 129.85 161.28 164.27 130.52 3 0 11.45 -999 ? CL CL J2002 >ILE~N 16 167.35 164.74 130.72 168.14 165.84 131.20 167.74 165.29 130.96 3 0 6.63 -999 ? CL CL J2002 >LEU~N 17 167.81 159.40 130.37 169.68 159.11 131.48 168.74 159.26 130.92 3 0 9.33 -999 ? CL CL J2002 >SER~N 18 164.52 159.39 127.36 162.12 159.15 126.89 163.32 159.27 127.13 2 0 11.82 -999 ? CL CL J2002 >ASN~N 19 164.88 163.88 125.50 162.92 164.59 126.01 163.90 164.24 125.75 2 0 8.64 -999 ? CL CL J2002 >GLN~N 20 170.09 162.65 126.17 171.80 162.36 127.35 170.94 162.50 126.76 2 0 -4.46 -999 ? CL CL J2002s >TYR~N 21 168.15 156.47 125.36 170.14 155.81 127.21 169.15 156.14 126.29 3 0 10.52 -999 ? CL CL J2002 >LYS~N 22 165.10 159.41 121.05 159.46 160.48 123.77 162.28 159.95 122.41 2 0 13.40 -999 ? CL CL J2002 >MET~N 23 167.73 161.76 119.52 168.39 165.50 121.05 168.06 163.63 120.29 2 0 5.43 -999 ? CL CL J2002 >MET~N 24 170.31 158.98 119.31 171.89 158.35 123.10 171.10 158.66 121.21 2 0 8.42 -999 ? CL CL J2002 >THR~N 25 167.79 156.87 117.26 166.11 155.65 117.82 166.95 156.26 117.54 2 0 14.22 -999 ? CL CL J2002 >MET~N 26 167.34 159.88 114.96 165.24 163.05 116.54 166.29 161.47 115.75 2 0 11.36 -999 ? CL CL J2002 >LEU~N 27 171.97 160.88 115.63 172.10 162.99 116.10 172.04 161.94 115.86 3 0 10.65 -999 ? CL CL J2002 >ASP~N 28 173.04 156.37 115.74 174.12 154.54 115.64 173.58 155.45 115.69 2 0 15.68 -999 ? CL CL J2002 >PRO.N 29 169.46 155.75 111.25 169.60 154.98 113.37 169.53 155.36 112.31 3 0 17.30 -999 ? CL CL J2002 >ALA.N 30 171.22 151.36 112.97 172.69 151.33 112.42 171.95 151.35 112.70 2 0 20.00 -999 ? CL CL J2002 >ASN~N 31 172.40 151.59 117.56 174.20 150.72 116.88 173.30 151.15 117.22 2 0 16.42 -999 ? O3 GOL N3008 >ALA~N 32 167.51 151.87 117.28 166.48 151.92 116.17 166.99 151.89 116.73 2 0 17.62 -999 ? O3 GOL N3008 >GLU~N 33 167.24 145.98 119.57 168.05 144.16 118.79 167.65 145.07 119.18 2 0 12.42 -999 ? O3 GOL N3008 >ARG~N 34 173.47 149.90 121.53 175.07 147.29 121.87 174.27 148.60 121.70 2 0 11.02 -999 ? O3 GOL N3008 >TYR~N 35 169.83 154.24 120.71 172.41 154.64 119.66 171.12 154.44 120.18 3 0 13.09 -999 ? CL CL J2002 >ARG~N 36 161.60 152.07 121.93 160.06 153.41 124.19 160.83 152.74 123.06 2 0 15.62 -999 ? C3 GOL N3008 >ARG~N 37 167.97 146.21 125.72 169.64 146.36 128.31 168.81 146.29 127.02 2 0 -4.21 -999 ? O3 GOL N3008s >LEU~N 38 168.59 152.42 126.87 170.53 151.69 127.32 169.56 152.05 127.09 3 0 9.73 -999 ? O3 GOL N3008 >GLN~N 39 162.76 155.71 125.46 161.75 156.14 123.59 162.26 155.92 124.53 2 0 14.19 -999 ? CL CL J2002 >THR~N 40 162.07 151.44 128.00 161.12 149.77 127.03 161.59 150.60 127.52 2 0 11.37 -999 ? O2 GOL N3008 >ILE~N 41 165.68 150.23 131.03 166.73 149.32 131.22 166.21 149.77 131.12 3 0 7.35 -999 ? C3 GOL N3008 >ILE~N 42 165.09 155.52 131.20 166.06 155.98 132.09 165.57 155.75 131.64 3 0 13.20 -999 ? C3 GOL N3008 >GLU~N 43 160.49 156.26 129.04 159.76 156.26 127.05 160.12 156.26 128.05 2 0 15.48 -999 ? CL CL J2002 >ARG~N 44 157.97 149.49 130.76 157.12 148.00 128.25 157.54 148.75 129.50 2 0 12.62 -999 ? O2 GOL N3008 >GLY~N 45 161.92 152.32 135.85 161.69 151.66 135.48 161.81 151.99 135.66 1 0 12.51 -999 ? C3 GOL N3008 >TYR~N 46 161.97 147.58 133.54 159.66 146.79 132.16 160.81 147.18 132.85 3 0 8.68 -999 ? O2 GOL N3008 >GLY~N 47 165.04 148.45 138.73 165.12 147.95 138.15 165.08 148.20 138.44 1 0 9.71 -999 ? O1 GOL N3008 >LEU~N 48 166.69 144.01 137.63 167.97 142.30 137.68 167.33 143.15 137.65 3 0 4.73 -999 ? O1 GOL N3008 >GLN~N 49 167.06 145.69 132.62 165.84 144.32 133.61 166.45 145.01 133.11 2 0 -3.60 -999 ? O2 GOL N3008s >MET~N 50 168.85 150.26 136.28 165.59 152.75 136.93 167.22 151.50 136.60 2 0 11.65 -999 ? C3 GOL N3008 >ARG~N 51 172.16 145.36 140.78 174.78 144.98 142.37 173.47 145.17 141.57 2 0 10.93 -999 ? O1 GOL N3008 >GLU~N 52 171.98 144.88 135.10 170.87 143.79 133.67 171.43 144.34 134.38 2 0 -2.84 -999 ? O3 GOL N3008s >LEU~N 53 172.37 151.66 134.02 171.40 152.16 132.14 171.89 151.91 133.08 3 0 9.13 -999 ? O3 GOL N3008 >ASP~N 54 174.60 151.44 139.08 172.92 152.56 139.62 173.76 152.00 139.35 2 0 13.04 -999 ? O3 GOL N3008 >ARG~N 55 177.28 147.38 139.71 179.40 146.33 141.72 178.34 146.85 140.71 2 0 13.92 -999 ? O1 GOL N3008 >GLU.N 56 177.02 149.87 132.23 175.77 150.16 130.55 176.39 150.02 131.39 2 0 8.85 -999 ? O3 GOL N3008 >PHE.N 57 178.40 155.10 135.08 177.00 155.78 132.77 177.70 155.44 133.93 3 0 14.60 -999 ? O3 GOL N3008 >GLY.N 58 183.43 153.24 137.84 183.14 154.05 137.70 183.28 153.65 137.77 1 0 17.87 -999 ? O3 GOL N3008 >GLU.N 59 185.19 157.06 142.09 184.04 157.69 143.79 184.62 157.38 142.94 2 0 17.47 -999 ? C1 GOL N3044 >LEU.N 60 190.15 155.78 139.22 192.06 154.69 139.32 191.10 155.24 139.27 3 0 13.43 -999 ? C2 GOL N3029 >LYS~N 61 189.87 158.70 143.06 188.28 156.08 148.60 189.07 157.39 145.83 2 0 14.04 -999 ? C2 GOL N3029 >GLU~N 62 192.80 164.06 142.20 192.44 166.06 142.86 192.62 165.06 142.53 2 0 6.38 -999 ? C1 GOL N3044 >GLU~N 63 194.49 161.88 146.96 196.25 163.15 146.70 195.37 162.51 146.83 2 0 5.47 -999 ? O3 GOL N3029 >THR~N 64 194.93 157.15 143.34 193.70 155.46 143.76 194.31 156.30 143.55 2 0 9.33 -999 ? C2 GOL N3029 >CYH~N 65 195.27 158.57 139.78 192.76 159.06 138.68 194.01 158.82 139.23 2 0 10.91 -999 ? C1 GOL N3044 >ARG~N 66 197.02 164.21 142.49 196.52 166.74 140.76 196.77 165.47 141.62 2 0 -3.13 -999 ? O1 GOL N3044s >THR~N 67 199.85 157.94 142.85 199.59 156.93 144.76 199.72 157.43 143.81 2 0 -3.68 -999 ? C2 GOL N3029s >ILE~N 68 198.68 155.51 138.83 197.77 154.55 138.32 198.23 155.03 138.58 3 0 9.11 -999 ? O2 GOL N3029 >ILE~N 69 200.81 160.18 137.54 200.27 161.16 136.72 200.54 160.67 137.13 3 0 8.25 -999 ? O3 GOL N3029 >ASP~N 70 203.51 159.51 142.26 205.02 160.53 143.48 204.26 160.02 142.87 2 0 -3.26 -999 ? O2 GOL N3029s >ILE~N 71 204.02 154.49 140.54 203.54 153.36 141.23 203.78 153.93 140.89 3 0 7.06 -999 ? O2 GOL N3029 >MET~N 72 205.77 156.18 136.74 202.51 155.55 134.20 204.14 155.87 135.47 2 0 11.73 -999 ? O2 GOL N3029 >GLU~N 73 207.93 161.92 138.37 208.75 162.64 136.53 208.34 162.28 137.45 2 0 -8.02 -999 ? O3 GOL N3012s >MET~N 74 209.66 157.48 140.21 209.43 154.93 143.50 209.54 156.21 141.85 2 0 8.29 -999 ? O2 GOL N3029 >TYR~N 75 209.71 152.64 137.80 209.50 150.35 139.41 209.61 151.50 138.61 3 0 12.44 -999 ? O2 GOL N3029 >HIS~N 76 211.54 160.16 134.29 212.67 161.69 133.40 212.10 160.93 133.85 3 0 -6.89 -999 ? CL CL N2030s >ALA~N 77 213.79 159.16 138.04 213.32 159.76 139.40 213.55 159.46 138.72 2 0 9.77 -999 ? O2 GOL N3012 >LEU~N 78 214.42 154.51 139.26 214.03 153.78 141.25 214.23 154.14 140.26 3 0 10.71 -999 ? CL CL N2030 >HIS~N 79 215.64 153.98 132.96 216.60 153.22 131.26 216.12 153.60 132.11 3 0 -4.33 -999 ? CL CL N2030s >VAL~N 80 217.56 158.35 134.37 216.87 160.29 133.72 217.21 159.32 134.05 3 0 4.00 -999 ? CL CL N2030 >SER~N 81 219.66 158.05 137.54 218.33 159.17 139.26 219.00 158.61 138.40 2 0 9.02 -999 ? CL CL N2030 >TRP~N 82 220.77 150.98 136.79 220.56 150.52 132.88 220.67 150.75 134.83 3 0 8.80 -999 ? CL CL N2030 >SER~N 83 221.50 155.10 133.13 220.51 157.01 132.05 221.00 156.06 132.59 2 0 3.82 -999 ? CL CL N2030 >ASN~N 84 223.39 159.28 134.52 222.37 160.07 132.83 222.88 159.67 133.68 2 0 6.35 -999 ? CL CL N2030 >LEU.N 85 225.09 154.39 137.49 224.24 154.51 139.46 224.67 154.45 138.48 3 0 11.45 -999 ? CL CL N2030 >GLN.N 86 230.49 157.11 135.79 232.40 158.01 135.97 231.45 157.56 135.88 2 0 16.30 -999 ? CL CL N2030 >ASP.N 87 230.54 151.79 139.42 230.64 149.76 140.17 230.59 150.78 139.80 2 0 18.39 -999 ? CL CL N2030 >GLN.N 88 225.49 151.23 135.49 224.27 150.81 133.79 224.88 151.02 134.64 2 0 10.38 -999 ? CL CL N2030 >GLN.N 89 226.76 150.47 142.88 228.69 151.40 142.82 227.73 150.93 142.85 2 0 18.02 -999 ? CL CL N2030 >SER.N 90 225.68 145.48 139.18 227.68 144.31 140.08 226.68 144.89 139.63 2 0 19.47 -999 ? CL CL N2030 >ILE.N 91 221.57 148.24 139.48 221.12 149.23 140.26 221.35 148.74 139.87 3 0 13.54 -999 ? CL CL N2030 >ASP~N 92 219.13 143.58 136.78 218.22 142.74 135.01 218.67 143.16 135.89 2 0 15.48 -999 ? CL CL N2030 >GLU~N 93 217.47 148.79 132.22 217.76 148.97 130.14 217.61 148.88 131.18 2 0 8.57 -999 ? CL CL N2030 >ARG~N 94 212.83 142.20 134.40 210.04 140.93 133.99 211.43 141.57 134.19 2 0 18.33 -999 ? CL CL N2030 >ARG~N 95 215.46 144.14 140.72 215.90 144.66 143.75 215.68 144.40 142.23 2 0 18.49 -999 ? CL CL N2030 >VAL~N 96 214.69 150.12 137.36 216.41 151.47 137.64 215.55 150.80 137.50 3 0 9.81 -999 ? CL CL N2030 >THR~N 97 211.93 149.52 134.75 212.27 148.66 132.76 212.10 149.09 133.76 2 0 10.31 -999 ? CL CL N2030 >PHE.N 98 205.99 151.41 135.45 203.31 151.41 136.18 204.65 151.41 135.82 3 0 12.51 -999 ? O2 GOL N3029 >LEU.N 99 206.93 145.59 136.00 209.00 144.75 135.80 207.97 145.17 135.90 3 0 16.24 -999 ? CL CL N2030 >GLY.N 100 202.89 147.88 135.58 203.22 147.52 136.22 203.06 147.70 135.90 1 0 15.00 -999 ? O2 GOL N3029 >PHE.N 101 199.31 148.71 138.37 200.16 151.05 139.65 199.74 149.88 139.01 3 0 11.69 -999 ? O2 GOL N3029 >ASP.N 102 197.96 142.41 139.19 197.06 140.46 139.09 197.51 141.44 139.14 2 0 20.60 -999 ? O2 GOL N3029 >ALA.N 103 195.39 142.61 135.23 195.50 141.92 133.92 195.45 142.27 134.57 2 0 21.96 -999 ? O2 GOL N3029 >ALA.N 104 193.52 140.18 137.52 194.08 138.86 137.96 193.80 139.52 137.74 2 0 23.34 -999 ? O2 GOL N3029 >THR.N 105 193.42 142.19 140.79 194.84 140.97 141.86 194.13 141.58 141.33 2 0 20.04 -999 ? C1 GOL N3029 >GLU~N 106 196.48 145.55 141.46 198.54 145.70 141.81 197.51 145.63 141.64 2 0 14.62 -999 ? O2 GOL N3029 >ALA~N 107 192.58 146.26 136.61 191.34 145.47 136.19 191.96 145.86 136.40 2 0 20.05 -999 ? O2 GOL N3029 >ARG~N 108 189.02 149.68 140.15 189.67 151.62 142.49 189.34 150.65 141.32 2 0 14.89 -999 ? C2 GOL N3029 >TYR~N 109 195.52 150.33 140.44 194.35 150.45 143.01 194.93 150.39 141.73 3 0 12.25 -999 ? C2 GOL N3029 >LEU~N 110 196.19 147.56 134.49 197.22 146.48 132.91 196.70 147.02 133.70 3 0 17.91 -999 ? O2 GOL N3029 >GLY~N 111 193.65 150.74 132.84 194.28 151.05 133.25 193.96 150.90 133.05 1 0 17.59 -999 ? O2 GOL N3029 >TYR~N 112 194.78 156.07 135.52 194.77 158.81 135.67 194.77 157.44 135.59 3 0 12.42 -999 ? O1 GOL N3044 >VAL~N 113 198.46 153.48 133.03 200.18 152.22 133.71 199.32 152.85 133.37 3 0 13.97 -999 ? O2 GOL N3029 >ARG~N 114 196.45 148.76 129.28 196.55 145.72 129.25 196.50 147.24 129.26 2 0 21.90 -999 ? O2 GOL N3029 >PHE~N 115 193.29 157.24 130.07 191.93 159.56 129.51 192.61 158.40 129.79 3 0 14.28 -999 ? O2 GOL N3044 >MET~N 116 198.00 157.87 130.46 197.09 159.93 132.74 197.55 158.90 131.60 2 0 -11.11 -999 ? O1 GOL N3044s >VAL~N 117 200.32 156.31 127.87 201.88 154.79 128.10 201.10 155.55 127.99 3 0 16.27 -999 ? CL CL N2030 >ASN~N 118 197.21 154.22 124.75 198.31 152.47 125.15 197.76 153.35 124.95 2 0 20.12 -999 ? CL CL N2030 >VAL~N 119 195.57 158.42 125.25 193.41 158.26 125.62 194.49 158.34 125.44 3 0 16.82 -999 ? O2 GOL N3044 >GLU.N 120 196.16 161.38 129.21 195.01 163.08 128.79 195.58 162.23 129.00 2 0 -11.11 -999 ? O2 GOL N3044s >GLY.N 121 200.70 160.34 125.46 200.61 160.47 126.26 200.66 160.41 125.86 1 0 16.46 -999 ? O1 GOL N3044 >ARG.N 122 202.43 162.21 132.12 202.95 163.61 134.81 202.69 162.91 133.47 2 0 -8.98 -999 ? O1 GOL N3044s >TYR.N 123 205.39 158.43 131.87 205.49 160.09 134.09 205.44 159.26 132.98 3 0 -12.00 -999 ? CL CL N2030s >THR.N 124 205.73 156.94 125.75 204.83 158.46 124.50 205.28 157.70 125.13 2 0 13.64 -999 ? CL CL N2030 >HIS.N 125 210.43 158.18 125.05 210.19 159.49 123.43 210.31 158.83 124.24 3 0 9.29 -999 ? CL CL N2030 >PHE.N 126 207.88 154.47 130.98 208.42 156.10 133.14 208.15 155.29 132.06 3 0 9.30 -999 ? CL CL N2030 >ASP.N 127 210.39 149.08 128.41 210.51 147.14 127.55 210.45 148.11 127.98 2 0 12.60 -999 ? CL CL N2030 >ALA.N 128 205.73 148.25 128.07 204.65 148.66 127.07 205.19 148.46 127.57 2 0 15.61 -999 ? CL CL N2030 >GLY.N 129 206.92 144.66 128.10 206.47 145.04 127.54 206.70 144.85 127.82 1 0 16.53 -999 ? CL CL N2030 >THR.N 130 205.07 141.83 126.39 205.93 140.10 127.31 205.50 140.97 126.85 2 0 20.89 -999 ? CL CL N2030 >HIS.N 131 201.51 139.96 128.80 202.02 137.96 128.37 201.76 138.96 128.59 3 0 24.11 -999 ? CL CL N2030 >GLY.N 132 201.21 146.17 127.81 201.38 145.71 128.51 201.30 145.94 128.16 1 0 19.66 -999 ? CL CL N2030 >PHE.N 133 202.63 149.38 130.89 204.14 151.27 129.54 203.39 150.32 130.21 3 0 15.44 -999 ? CL CL N2030 >ASN.N 134 199.33 142.96 132.06 198.55 141.35 133.25 198.94 142.15 132.66 2 0 22.01 -999 ? O2 GOL N3029 >ALA.N 135 202.74 142.87 135.54 203.09 143.71 136.74 202.91 143.29 136.14 2 0 17.79 -999 ? O2 GOL N3029 >GLN.N 136 201.30 139.04 133.85 202.42 137.64 132.70 201.86 138.34 133.27 2 0 24.77 -999 ? CL CL N2030 >THR.N 137 201.34 139.99 139.99 203.29 139.79 140.87 202.32 139.89 140.43 2 0 20.02 -999 ? O2 GOL N3029 >PRO.N 138 198.98 140.71 143.44 200.26 142.00 142.14 199.62 141.35 142.79 3 0 18.20 -999 ? C1 GOL N3029 >MET~N 139 202.33 145.73 142.64 204.84 144.26 141.20 203.59 145.00 141.92 2 0 15.75 -999 ? O2 GOL N3029 >TRP~N 140 198.25 149.79 146.79 197.78 152.90 144.45 198.01 151.34 145.62 3 0 8.69 -999 ? C1 GOL N3029 >GLU~N 141 199.85 147.19 149.72 199.65 149.31 150.43 199.75 148.25 150.07 2 0 10.16 -999 ? C1 GOL N3029 >LYS~N 142 205.28 147.20 146.57 210.60 146.27 146.55 207.94 146.74 146.56 2 0 14.74 -999 ? O1 GOL N3029 >TYR~N 143 204.41 150.24 142.39 204.78 148.95 139.97 204.60 149.60 141.18 3 0 10.73 -999 ? O2 GOL N3029 >GLN~N 144 201.39 151.74 148.20 201.01 153.17 146.62 201.20 152.45 147.41 2 0 5.76 -999 ? C1 GOL N3029 >ARG~N 145 206.36 147.54 151.55 205.74 145.29 149.50 206.05 146.41 150.53 2 0 14.05 -999 ? C1 GOL N3029 >MET~N 146 209.33 152.23 146.99 209.35 149.77 143.68 209.34 151.00 145.33 2 0 11.78 -999 ? O2 GOL N3029 >LEU~N 147 206.19 155.95 146.72 205.09 156.27 144.89 205.64 156.11 145.81 3 0 4.29 -999 ? O1 GOL N3029 >ASN~N 148 207.66 155.05 151.71 208.13 155.55 153.68 207.89 155.30 152.70 2 0 8.14 -999 ? O1 GOL N3029 >VAL~N 149 211.97 155.64 150.27 213.27 153.88 150.43 212.62 154.76 150.35 3 0 10.38 -999 ? O1 GOL N3029 >TRP~N 150 212.92 158.88 144.19 209.70 160.35 142.44 211.31 159.62 143.31 3 0 6.52 -999 ? O2 GOL N3012 >HIS~N 151 207.96 160.84 147.59 206.93 161.03 145.77 207.44 160.93 146.68 3 0 3.39 -999 ? O2 GOL N3012s >ALA.N 152 212.61 160.47 151.71 212.64 159.27 152.69 212.63 159.87 152.20 2 0 8.98 -999 ? O1 GOL N3012 >CYH.N 153 215.62 161.14 149.48 216.18 158.76 148.20 215.90 159.95 148.84 2 0 9.71 -999 ? O1 GOL N3012 >PRO.N 154 218.58 163.94 150.94 216.57 164.04 149.99 217.58 163.99 150.46 3 0 9.25 -999 ? O1 GOL N3012 >ARG.N 155 219.49 166.94 144.14 219.55 170.01 143.56 219.52 168.48 143.85 2 0 11.80 -999 ? C1 GOL N3012 >GLN.N 156 212.49 162.95 145.52 210.46 163.61 145.52 211.48 163.28 145.52 2 0 -2.65 -999 ? O1 GOL N3012s >TYR.N 157 214.45 164.07 139.74 211.68 163.84 139.51 213.07 163.95 139.63 3 0 7.89 -999 ? C1 GOL N3012 >HIS.N 158 220.32 164.11 138.58 219.66 165.01 136.80 219.99 164.56 137.69 3 0 10.50 -999 ? CL CL N2030 >LEU.N 159 218.98 158.41 142.85 216.91 158.82 143.43 217.94 158.61 143.14 3 0 11.76 -999 ? O1 GOL N3012 >SER~N 160 223.14 157.57 143.87 222.99 157.22 146.29 223.07 157.39 145.08 2 0 16.10 -999 ? O1 GOL N3012 >ALA~N 161 223.48 153.78 143.57 224.76 153.01 143.16 224.12 153.39 143.37 2 0 15.49 -999 ? CL CL N2030 >ASN~N 162 223.57 153.98 148.46 225.62 153.32 148.64 224.60 153.65 148.55 2 0 20.47 -999 ? O1 GOL N3012 >GLU~N 163 220.21 157.81 147.58 220.09 159.81 146.98 220.15 158.81 147.28 2 0 12.29 -999 ? O1 GOL N3012 >ILE~N 164 219.34 153.22 142.53 219.51 153.28 141.12 219.42 153.25 141.83 3 0 12.34 -999 ? CL CL N2030 >ASN~N 165 220.62 149.73 146.26 221.75 148.90 144.66 221.19 149.31 145.46 2 0 17.23 -999 ? CL CL N2030 >GLN~N 166 218.83 152.49 150.52 219.21 154.40 151.36 219.02 153.45 150.94 2 0 15.48 -999 ? O1 GOL N3012 >ILE~N 167 214.27 153.44 145.62 213.95 154.70 145.12 214.11 154.07 145.37 3 0 12.05 -999 ? O1 GOL N3029 >ILE~N 168 214.98 148.67 143.39 216.23 148.97 142.48 215.61 148.82 142.94 3 0 15.25 -999 ? CL CL N2030 >ASN~N 169 216.18 147.01 148.49 217.97 146.49 147.44 217.07 146.75 147.97 2 0 19.21 -999 ? O1 GOL N3029 >ALA~N 170 212.01 148.38 149.74 211.51 149.84 149.62 211.76 149.11 149.68 2 0 12.36 -999 ? O1 GOL N3029 >GLN.O 3 167.37 142.00 163.99 168.72 142.12 165.65 168.04 142.06 164.82 2 0 8.09 -999 ? CL CL K2003 >GLU.O 4 160.46 142.68 161.06 159.04 143.89 159.95 159.75 143.29 160.50 2 0 15.52 -999 ? CL CL K2003 >SER~O 5 165.27 140.41 158.44 166.70 140.09 156.48 165.98 140.25 157.46 2 0 14.83 -999 ? CL CL K2003 >THR~O 6 167.25 137.26 159.17 166.47 135.55 157.98 166.86 136.41 158.57 2 0 12.81 -999 ? CL CL K2003 >MET~O 7 170.23 139.02 157.51 169.86 139.77 153.39 170.04 139.39 155.45 2 0 17.99 -999 ? CL CL K2003 >GLU~O 8 169.51 143.54 159.40 167.68 144.45 158.79 168.60 144.00 159.09 2 0 14.62 -999 ? CL CL K2003 >MET~O 9 170.29 138.69 163.21 170.52 134.59 162.51 170.41 136.64 162.86 2 0 9.11 -999 ? CL CL K2003 >THR~O 10 173.01 138.85 165.80 172.08 139.36 167.63 172.55 139.11 166.72 2 0 6.81 -999 ? CL CL K2003 >ASN~O 11 177.30 136.62 166.28 178.38 137.16 164.50 177.84 136.89 165.39 2 0 13.05 -999 ? CL CL K2003 >ALA~O 12 174.25 134.89 169.22 173.88 135.65 170.45 174.06 135.27 169.83 2 0 6.92 -999 ? CL CL K2003 >GLN~O 13 169.42 136.04 167.70 168.44 137.84 167.13 168.93 136.94 167.42 2 0 -4.28 -999 ? CL CL K2003s >ARG~O 14 174.25 134.10 161.46 176.22 135.49 159.49 175.24 134.79 160.47 2 0 14.59 -999 ? CL CL K2003 >LEU~O 15 175.64 130.86 168.13 177.17 129.65 169.09 176.40 130.25 168.61 3 0 11.29 -999 ? CL CL K2003 >ILE~O 16 170.29 130.54 169.05 169.49 131.08 170.09 169.89 130.81 169.57 3 0 6.15 -999 ? CL CL K2003 >LEU~O 17 169.84 129.61 163.91 167.97 130.65 163.44 168.90 130.13 163.68 3 0 9.46 -999 ? CL CL K2003 >SER~O 18 173.20 126.61 164.13 175.55 126.05 163.98 174.38 126.33 164.05 2 0 14.85 -999 ? CL CL K2003 >ASN~O 19 172.82 125.20 168.77 174.75 125.83 169.43 173.78 125.52 169.10 2 0 12.94 -999 ? CL CL K2003 >GLN~O 20 167.59 125.75 167.53 165.82 126.86 167.08 166.71 126.30 167.30 2 0 -10.02 -999 ? CL CL K2003s >TYR~O 21 169.50 124.29 161.32 167.44 126.02 160.55 168.47 125.15 160.94 3 0 14.79 -999 ? CL CL K2003 >LYS~O 22 172.63 120.27 164.76 178.18 123.25 165.65 175.40 121.76 165.21 2 0 17.69 -999 ? O3 GOL K3010 >MET~O 23 169.98 119.14 167.26 169.46 121.20 170.81 169.72 120.17 169.04 2 0 15.11 -999 ? CL CL K2003 >MET~O 24 167.40 118.54 164.63 165.73 122.24 163.54 166.57 120.39 164.08 2 0 15.68 -999 ? CL CL K2003 >THR~O 25 169.91 116.29 162.69 171.58 116.71 161.35 170.74 116.50 162.02 2 0 22.04 -999 ? CL CL K2003 >MET~O 26 170.43 114.33 165.89 172.57 116.33 168.83 171.50 115.33 167.36 2 0 20.64 -999 ? CL CL K2003 >LEU~O 27 165.76 114.80 166.95 165.69 115.33 169.05 165.72 115.06 168.00 3 0 21.26 -999 ? CL CL K2003 >ASP~O 28 164.72 114.57 162.31 163.52 114.24 160.62 164.12 114.41 161.46 2 0 23.95 -999 ? CL CL O2036 >PRO.O 29 168.59 110.21 162.10 168.16 112.20 161.17 168.37 111.21 161.64 3 0 26.55 -999 ? CL CL K2003 >ALA.O 30 166.52 111.32 157.68 165.10 110.81 157.73 165.81 111.06 157.70 2 0 26.51 -999 ? CL CL O2036 >ASN~O 31 165.12 115.88 157.47 163.27 115.16 156.70 164.19 115.52 157.09 2 0 22.31 -999 ? CL CL O2036 >ALA~O 32 170.01 115.77 157.68 171.02 114.70 157.81 170.52 115.24 157.74 2 0 25.34 -999 ? CL CL K2003 >GLU~O 33 170.20 117.15 151.62 169.74 115.90 149.90 169.97 116.52 150.76 2 0 27.49 -999 ? CL CL O2036 >ARG~O 34 163.83 119.56 154.44 162.36 118.67 151.85 163.10 119.12 153.14 2 0 19.49 -999 ? CL CL O2036 >TYR~O 35 167.80 119.41 159.74 165.27 118.34 160.26 166.53 118.88 160.00 3 0 20.32 -999 ? CL CL K2003 >ARG~O 36 175.82 120.47 157.52 177.72 122.75 158.28 176.77 121.61 157.90 2 0 19.89 -999 ? O1 GOL K3010 >ARG~O 37 169.49 123.46 151.21 167.81 125.99 151.08 168.65 124.72 151.14 2 0 22.15 -999 ? CL CL K2003 >LEU~O 38 168.99 125.27 157.28 166.99 125.69 156.50 167.99 125.48 156.89 3 0 17.50 -999 ? CL CL K2003 >GLN~O 39 174.69 124.26 160.60 175.71 122.47 161.17 175.20 123.36 160.89 2 0 18.81 -999 ? CL CL K2003 >THR~O 40 175.50 126.36 156.13 176.43 125.18 154.53 175.96 125.77 155.33 2 0 21.43 -999 ? O1 GOL K3010 >ILE~O 41 171.81 129.19 154.70 170.76 129.29 153.84 171.29 129.24 154.27 3 0 18.38 -999 ? CL CL K2003 >ILE~O 42 172.58 129.91 159.85 171.65 130.88 160.18 172.12 130.40 160.02 3 0 13.21 -999 ? CL CL K2003 >GLU~O 43 177.14 127.85 160.77 177.95 125.93 161.03 177.54 126.89 160.90 2 0 17.17 -999 ? O1 GOL K3010 >ARG~O 44 179.51 128.71 153.87 180.36 126.03 152.63 179.93 127.37 153.25 2 0 19.56 -999 ? O1 GOL K3010 >GLY~O 45 175.59 134.16 156.16 175.85 133.73 155.53 175.72 133.95 155.84 1 0 17.06 -999 ? CL CL K2003 >TYR~O 46 175.59 131.45 151.68 177.85 129.95 151.04 176.72 130.70 151.36 3 0 21.65 -999 ? O1 GOL K3010 >GLY~O 47 172.47 136.75 151.98 172.39 136.07 151.55 172.43 136.41 151.77 1 0 19.05 -999 ? O1 GOL N3008 >LEU~O 48 170.84 135.09 147.71 169.56 134.96 146.00 170.20 135.02 146.86 3 0 14.52 -999 ? O1 GOL N3008 >GLN~O 49 170.33 130.25 149.83 171.69 131.01 148.34 171.01 130.63 149.08 2 0 -17.97 -999 ? O1 GOL N3008s >MET~O 50 168.62 134.36 154.10 171.84 135.37 156.44 170.23 134.86 155.27 2 0 15.14 -999 ? CL CL K2003 >ARG~O 51 165.78 138.84 148.96 164.30 141.49 149.44 165.04 140.17 149.20 2 0 16.43 -999 ? O1 GOL N3008 >GLU~O 52 165.51 132.62 148.90 166.63 131.12 147.92 166.07 131.87 148.41 2 0 17.58 -999 ? O1 GOL N3008s >LEU~O 53 165.20 132.38 155.66 166.24 130.66 156.33 165.72 131.52 156.00 3 0 15.51 -999 ? CL CL K2003 >ASP~O 54 162.95 137.35 154.91 164.67 137.97 155.90 163.81 137.66 155.41 2 0 15.16 -999 ? CL CL K2003 >ARG~O 55 159.96 137.60 150.54 160.85 139.64 152.73 160.41 138.62 151.63 2 0 19.37 -999 ? CL CL K2003 >GLU.O 56 160.60 130.40 154.07 161.73 128.68 154.54 161.17 129.54 154.31 2 0 16.78 -999 ? CL CL O2036 >PHE.O 57 159.15 133.77 159.06 160.56 131.59 159.95 159.85 132.68 159.51 3 0 13.76 -999 ? CL CL K2003 >GLY.O 58 154.09 136.29 157.02 154.38 136.21 157.78 154.23 136.25 157.40 1 0 13.15 -999 ? CL CL O2036 >GLU.O 59 151.76 141.44 158.93 151.52 142.12 156.88 151.64 141.78 157.90 2 0 16.38 -999 ? CL CL O2036 >LEU.O 60 147.45 137.93 159.30 145.49 137.90 158.35 146.47 137.91 158.83 3 0 11.91 -999 ? CL CL O2036 >LYS~O 61 147.78 142.16 161.70 150.96 146.03 160.29 149.37 144.10 160.99 2 0 15.34 -999 ? C1 GOL O3026 >GLU~O 62 144.85 142.00 167.10 145.13 142.93 168.92 144.99 142.47 168.01 2 0 9.92 -999 ? C1 GOL O3026 >GLU~O 63 143.37 146.22 164.56 141.71 146.26 165.94 142.54 146.24 165.25 2 0 5.90 -999 ? C1 GOL O3026 >THR~O 64 142.64 142.13 160.20 143.87 142.30 158.45 143.25 142.22 159.33 2 0 9.90 -999 ? C1 GOL O3026 >CYH~O 65 142.27 138.85 162.15 144.85 137.81 162.70 143.56 138.33 162.42 2 0 10.86 -999 ? C1 GOL O3026 >ARG~O 66 140.63 142.20 167.36 141.15 140.73 170.05 140.89 141.46 168.70 2 0 7.61 -999 ? O1 GOL O3026 >THR~O 67 137.76 141.84 161.16 138.02 143.59 159.91 137.89 142.72 160.53 2 0 4.30 -999 ? C3 GOL O3026 >ILE~O 68 138.84 137.50 159.12 139.75 136.86 158.27 139.30 137.18 158.70 3 0 9.67 -999 ? C1 GOL O3026 >ILE~O 69 136.85 136.81 163.98 137.45 136.13 165.07 137.15 136.47 164.52 3 0 7.21 -999 ? O1 GOL O3026 >ASP~O 70 134.07 141.35 162.95 132.57 142.58 163.78 133.32 141.96 163.36 2 0 3.30 -999 ? O1 GOL O3013s >ILE~O 71 133.38 139.11 158.03 133.90 139.53 156.87 133.64 139.32 157.45 3 0 8.24 -999 ? C3 GOL O3026 >MET~O 72 131.83 135.54 160.21 135.04 132.94 159.82 133.44 134.24 160.02 2 0 11.12 -999 ? CL CL O2018 >GLU~O 73 129.73 137.78 165.68 128.97 136.10 166.67 129.35 136.94 166.17 2 0 6.85 -999 ? O1 GOL O3013 >MET~O 74 127.93 139.18 161.23 128.14 142.07 158.28 128.03 140.63 159.75 2 0 8.68 -999 ? O3 GOL O3026 >TYR~O 75 127.87 136.17 156.70 127.95 137.50 154.23 127.91 136.83 155.46 3 0 10.24 -999 ? CL CL O2018 >HIS~O 76 126.10 133.61 164.62 125.01 132.87 166.26 125.55 133.24 165.44 3 0 4.51 -999 ? CL CL O2018s >ALA~O 77 123.76 137.25 163.23 124.22 138.65 163.60 123.99 137.95 163.41 2 0 8.55 -999 ? O1 GOL O3013 >LEU~O 78 122.99 137.89 158.42 123.57 139.74 157.44 123.28 138.81 157.93 3 0 9.92 -999 ? CL CL O2018 >HIS~O 79 121.98 131.53 158.56 121.09 129.74 157.92 121.53 130.63 158.24 3 0 5.21 -999 ? CL CL O2018 >VAL~O 80 120.06 133.48 162.85 120.79 133.02 164.86 120.42 133.25 163.86 3 0 5.47 -999 ? CL CL O2018 >SER~O 81 117.95 136.60 162.36 119.18 138.53 163.10 118.56 137.57 162.73 2 0 10.10 -999 ? CL CL O2018 >TRP~O 82 116.65 134.94 155.50 116.94 131.00 155.50 116.80 132.97 155.50 3 0 10.82 -999 ? CL CL O2018 >SER~O 83 115.90 131.94 160.39 117.13 130.87 162.21 116.52 131.40 161.30 2 0 7.53 -999 ? CL CL O2018 >ASN.O 84 113.86 134.05 164.18 115.11 132.69 165.22 114.48 133.37 164.70 2 0 10.27 -999 ? CL CL O2018 >LEU.O 85 112.49 136.21 158.93 113.28 138.18 158.58 112.89 137.20 158.76 3 0 14.21 -999 ? CL CL O2018 >GLN.O 86 109.19 138.83 158.88 108.83 139.69 160.81 109.01 139.26 159.85 2 0 18.56 -999 ? CL CL O2018 >ASP.O 87 106.17 133.50 156.67 106.02 131.35 156.61 106.10 132.43 156.64 2 0 19.51 -999 ? CL CL O2018 >GLN.O 88 111.58 133.10 155.08 112.83 132.94 156.81 112.21 133.02 155.95 2 0 13.36 -999 ? CL CL O2018 >GLN.O 89 110.34 140.82 152.65 109.28 142.46 153.51 109.81 141.64 153.08 2 0 21.64 -999 ? CL CL O2018 >SER.O 90 111.82 136.72 149.76 109.68 137.29 148.60 110.75 137.00 149.18 2 0 21.58 -999 ? CL CL O2018 >ILE.O 91 115.92 137.46 152.33 116.44 138.45 153.19 116.18 137.96 152.76 3 0 15.05 -999 ? CL CL O2018 >ASP~O 92 118.21 134.06 148.13 119.12 132.25 147.57 118.66 133.15 147.85 2 0 15.96 -999 ? CL CL O2018 >GLU~O 93 119.95 130.02 153.81 119.63 127.98 154.32 119.79 129.00 154.06 2 0 9.72 -999 ? CL CL O2018 >ARG~O 94 124.05 130.93 146.77 126.63 131.98 145.39 125.34 131.46 146.08 2 0 17.23 -999 ? CL CL O2018 >ARG~O 95 121.75 137.79 148.01 121.99 140.87 148.18 121.87 139.33 148.09 2 0 18.05 -999 ? CL CL O2018 >VAL~O 96 122.87 135.46 154.41 120.76 135.56 155.05 121.81 135.51 154.73 3 0 9.82 -999 ? CL CL O2018 >THR~O 97 125.55 132.76 153.99 125.10 130.71 153.29 125.32 131.73 153.64 2 0 9.14 -999 ? CL CL O2018 >PHE.O 98 131.45 133.74 155.71 134.18 134.46 155.64 132.81 134.10 155.68 3 0 11.35 -999 ? CL CL O2018 >LEU.O 99 130.52 133.57 149.85 128.56 133.58 148.88 129.54 133.57 149.36 3 0 14.37 -999 ? CL CL O2018 >GLY.O 100 134.51 133.33 152.18 134.16 133.89 151.73 134.34 133.61 151.96 1 0 12.06 -999 ? CL CL O2036 >PHE.O 101 138.04 136.16 152.49 137.26 137.85 154.61 137.65 137.00 153.55 3 0 12.02 -999 ? CL CL O2036 >ASP.O 102 139.48 136.33 146.19 140.25 135.96 144.25 139.86 136.15 145.22 2 0 13.16 -999 ? CL CL O2036 >ALA.O 103 141.96 132.42 146.77 141.81 131.11 146.18 141.89 131.76 146.48 2 0 8.47 -999 ? CL CL O2036 >ALA.O 104 143.88 134.49 144.18 143.39 134.64 142.75 143.64 134.56 143.46 2 0 12.70 -999 ? CL CL O2036 >THR.O 105 144.01 137.98 145.72 142.72 139.07 144.35 143.37 138.53 145.04 2 0 14.69 -999 ? CL CL O2036 >GLU~O 106 140.87 138.77 148.77 138.84 139.06 148.95 139.86 138.91 148.86 2 0 13.74 -999 ? CL CL O2036 >ALA~O 107 144.83 134.27 150.21 146.04 133.75 149.40 145.43 134.01 149.80 2 0 7.32 -999 ? CL CL O2036 >ARG~O 108 148.81 138.28 154.16 147.06 140.78 153.42 147.93 139.53 153.79 2 0 13.39 -999 ? CL CL O2036 >TYR~O 109 141.96 138.45 153.78 143.09 141.01 153.60 142.52 139.73 153.69 3 0 12.46 -999 ? CL CL O2036 >LEU~O 110 141.14 132.26 151.71 140.14 130.52 150.82 140.64 131.39 151.26 3 0 6.15 -999 ? CL CL O2036 >GLY~O 111 143.83 130.98 155.07 143.21 131.46 155.34 143.52 131.22 155.21 1 0 4.12 -999 ? CL CL O2036 >TYR~O 112 142.72 134.33 160.12 142.81 134.85 162.82 142.77 134.59 161.47 3 0 11.14 -999 ? CL CL O2036 >VAL~O 113 139.02 131.48 157.88 137.29 132.03 156.62 138.16 131.76 157.25 3 0 9.06 -999 ? CL CL O2036 >ARG~O 114 141.08 127.21 153.72 140.82 126.86 150.69 140.95 127.04 152.20 2 0 4.95 -999 ? CL CL O2036 >PHE~O 115 144.33 129.04 161.96 145.70 128.79 164.41 145.02 128.91 163.19 3 0 10.13 -999 ? CL CL O2036 >MET~O 116 139.60 129.51 162.59 140.53 132.03 164.31 140.07 130.77 163.45 2 0 -12.47 -999 ? O1 GOL O3026s >VAL~O 117 137.20 126.80 161.42 135.62 126.81 159.90 136.41 126.81 160.66 3 0 11.48 -999 ? CL CL O2036 >ASN~O 118 140.29 123.54 159.68 139.14 123.57 157.91 139.71 123.56 158.79 2 0 8.57 -999 ? CL CL O2036 >VAL~O 119 142.01 124.37 163.71 144.18 124.69 163.43 143.10 124.53 163.57 3 0 11.02 -999 ? CL CL O2036 >GLU.O 120 141.54 128.80 166.07 143.30 128.41 167.27 142.42 128.60 166.67 2 0 -14.26 -999 ? CL CL O2036s >GLY.O 121 136.95 124.83 165.80 137.02 125.67 165.76 136.98 125.25 165.78 1 0 13.81 -999 ? CL CL O2018 >ARG.O 122 135.19 131.73 166.81 134.71 134.57 167.84 134.95 133.15 167.32 2 0 -8.86 -999 ? O1 GOL O3013s >TYR.O 123 132.12 130.96 163.05 132.10 133.32 164.44 132.11 132.14 163.75 3 0 -7.90 -999 ? CL CL O2018s >THR.O 124 131.92 124.71 162.32 132.73 123.70 164.03 132.32 124.20 163.17 2 0 10.43 -999 ? CL CL O2018 >HIS.O 125 126.97 124.39 163.68 126.90 122.97 165.24 126.93 123.68 164.46 3 0 7.09 -999 ? CL CL O2018 >PHE.O 126 129.67 129.70 159.28 129.21 132.09 160.67 129.44 130.89 159.97 3 0 5.47 -999 ? CL CL O2018 >ASP.O 127 127.12 126.29 154.29 127.00 125.34 152.37 127.06 125.82 153.33 2 0 11.33 -999 ? CL CL O2018 >ALA.O 128 131.83 126.01 153.49 132.92 125.04 153.92 132.38 125.53 153.70 2 0 12.41 -999 ? CL CL O2036 >GLY.O 129 130.49 125.78 149.93 130.89 125.19 150.35 130.69 125.49 150.14 1 0 14.42 -999 ? CL CL O2018 >THR.O 130 132.12 123.61 147.27 131.00 124.10 145.46 131.56 123.86 146.36 2 0 16.39 -999 ? CL CL O2036 >HIS.O 131 136.08 125.57 145.21 136.18 124.88 143.24 136.13 125.23 144.23 3 0 12.83 -999 ? CL CL O2036 >GLY.O 132 135.90 125.45 151.48 135.82 126.02 150.88 135.86 125.73 151.18 1 0 9.54 -999 ? CL CL O2036 >PHE.O 133 134.85 128.95 154.15 133.51 127.75 156.23 134.18 128.35 155.19 3 0 11.09 -999 ? CL CL O2036 >ASN.O 134 138.05 129.32 147.60 138.80 130.30 145.81 138.42 129.81 146.70 2 0 10.04 -999 ? CL CL O2036 >ALA.O 135 134.59 132.69 147.05 134.19 133.97 147.77 134.39 133.33 147.41 2 0 13.72 -999 ? CL CL O2036 >GLN.O 136 135.93 130.44 143.45 135.27 128.90 142.08 135.60 129.67 142.77 2 0 14.84 -999 ? CL CL O2036 >THR.O 137 136.12 136.80 143.60 134.14 137.62 143.17 135.13 137.21 143.39 2 0 17.89 -999 ? CL CL O2036 >PRO.O 138 138.67 140.26 144.12 137.14 139.19 145.37 137.91 139.72 144.74 3 0 16.43 -999 ? CL CL O2036 >MET~O 139 135.07 140.06 149.01 132.60 138.51 147.82 133.84 139.29 148.42 2 0 16.53 -999 ? O3 GOL O3026 >TRP~O 140 139.12 144.67 152.54 139.71 142.75 155.91 139.41 143.71 154.22 3 0 9.56 -999 ? C3 GOL O3026 >GLU~O 141 137.18 147.02 148.83 137.46 148.02 146.94 137.32 147.52 147.88 2 0 15.58 -999 ? O3 GOL O3026 >LYS~O 142 132.09 144.26 150.20 126.63 143.20 149.32 129.36 143.73 149.76 2 0 15.43 -999 ? O3 GOL O3026 >TYR~O 143 133.04 140.38 153.60 132.61 137.79 152.63 132.83 139.08 153.11 3 0 11.76 -999 ? C3 GOL O3026 >GLN~O 144 136.08 146.43 154.31 136.54 145.45 156.17 136.31 145.94 155.24 2 0 6.42 -999 ? O3 GOL O3026 >ARG~O 145 130.60 149.22 149.86 131.12 146.92 147.82 130.86 148.07 148.84 2 0 14.75 -999 ? O3 GOL O3026 >MET~O 146 128.22 145.20 155.16 128.07 141.58 153.12 128.15 143.39 154.14 2 0 12.15 -999 ? O3 GOL O3026 >LEU~O 147 131.50 145.42 158.82 132.56 143.63 159.38 132.03 144.52 159.10 3 0 4.41 -999 ? O3 GOL O3026 >ASN~O 148 129.87 150.23 157.24 129.64 152.28 157.66 129.75 151.26 157.45 2 0 8.79 -999 ? O3 GOL O3026 >VAL~O 149 125.65 148.90 158.13 124.39 148.96 156.41 125.02 148.93 157.27 3 0 10.94 -999 ? O3 GOL O3026 >TRP~O 150 124.79 143.29 162.05 128.01 141.74 163.72 126.40 142.52 162.88 3 0 6.10 -999 ? O1 GOL O3013 >HIS~O 151 129.65 146.92 163.60 130.73 145.15 163.91 130.19 146.03 163.75 3 0 4.32 -999 ? O2 GOL O3026s >ALA.O 152 125.03 150.96 162.77 124.99 151.80 161.43 125.01 151.38 162.10 2 0 9.52 -999 ? O3 GOL O3013 >CYH.O 153 121.90 148.90 163.71 121.42 147.29 161.55 121.66 148.09 162.63 2 0 10.07 -999 ? O3 GOL O3013 >PRO.O 154 118.82 150.44 166.65 120.94 149.73 166.53 119.88 150.08 166.59 3 0 9.95 -999 ? O3 GOL O3013 >ARG.O 155 117.87 143.72 169.20 115.63 144.83 167.33 116.75 144.28 168.26 2 0 13.45 -999 ? O3 GOL O3013 >GLN.O 156 125.08 144.94 166.06 127.10 145.21 166.69 126.09 145.08 166.38 2 0 -2.63 -999 ? O3 GOL O3013s >TYR.O 157 123.23 139.38 167.80 126.05 139.22 167.65 124.64 139.30 167.73 3 0 6.41 -999 ? O2 GOL O3013 >HIS.O 158 117.44 138.41 168.51 118.31 136.96 169.75 117.87 137.68 169.13 3 0 12.21 -999 ? CL CL O2018 >LEU.O 159 118.64 141.59 162.03 120.68 142.42 162.11 119.66 142.01 162.07 3 0 11.94 -999 ? O3 GOL O3013 >SER~O 160 114.49 142.69 161.09 114.68 145.07 160.49 114.59 143.88 160.79 2 0 16.26 -999 ? O3 GOL O3013 >ALA~O 161 113.87 141.87 157.44 112.45 141.59 156.82 113.16 141.73 157.13 2 0 17.67 -999 ? CL CL O2018 >ASN~O 162 113.68 146.60 157.20 111.65 146.01 156.91 112.66 146.30 157.05 2 0 20.65 -999 ? O3 GOL O3013 >GLU~O 163 117.45 146.43 160.85 117.44 146.23 162.92 117.45 146.33 161.89 2 0 12.66 -999 ? O3 GOL O3013 >ILE~O 164 118.08 140.93 156.98 117.91 139.53 157.31 118.00 140.23 157.15 3 0 13.23 -999 ? CL CL O2018 >ASN~O 165 116.66 144.08 153.13 115.47 142.38 152.56 116.06 143.23 152.85 2 0 18.23 -999 ? CL CL O2018 >GLN~O 166 118.57 148.69 155.27 118.42 149.92 157.00 118.50 149.30 156.13 2 0 15.76 -999 ? O3 GOL O3013 >ILE~O 167 123.25 143.99 156.59 123.60 143.63 157.84 123.43 143.81 157.21 3 0 12.31 -999 ? O1 GOL O3013 >ILE~O 168 122.41 141.26 152.24 121.19 140.46 152.81 121.80 140.86 152.53 3 0 14.90 -999 ? CL CL O2018 >ASN~O 169 121.26 145.80 149.68 119.81 144.33 149.02 120.53 145.06 149.35 2 0 19.84 -999 ? O3 GOL O3026 >ALA.O 170 125.43 147.48 151.25 125.99 147.40 152.63 125.71 147.44 151.94 2 0 12.82 -999 ? O3 GOL O3026 >GLN.P 3 177.35 179.53 197.40 178.32 181.29 198.18 177.83 180.41 197.79 2 0 26.90 -999 ? O3 GOL M3007 >GLU.P 4 169.41 178.25 194.54 168.21 176.56 193.99 168.81 177.41 194.26 2 0 25.05 -999 ? O1 GOL L3028 >SER~P 5 170.39 182.40 196.02 169.23 184.58 196.06 169.81 183.49 196.04 2 0 21.85 -999 ? O3 GOL M3007 >THR~P 6 168.04 182.15 199.02 168.77 183.32 200.70 168.41 182.73 199.86 2 0 23.98 -999 ? O3 GOL M3007 >MET~P 7 165.46 183.88 196.73 166.41 187.86 195.74 165.94 185.87 196.24 2 0 18.80 -999 ? O3 GOL M3007 >GLU~P 8 166.50 181.50 192.72 168.30 181.40 191.65 167.40 181.45 192.18 2 0 25.06 -999 ? O3 GOL M3007 >MET~P 9 164.70 178.36 197.70 164.17 179.48 201.61 164.43 178.92 199.65 2 0 20.21 -999 ? O1 GOL L3028 >THR~P 10 161.74 176.05 197.60 162.47 174.02 197.39 162.10 175.03 197.49 2 0 19.25 -999 ? O1 GOL L3028 >ASN~P 11 157.20 176.23 199.28 156.46 178.04 198.37 156.83 177.13 198.83 2 0 12.58 -999 ? O1 GOL L3028 >ALA~P 12 159.71 173.21 201.72 160.07 171.91 201.13 159.89 172.56 201.43 2 0 17.51 -999 ? O1 GOL L3028 >GLN~P 13 164.72 174.08 200.87 166.07 174.29 199.26 165.39 174.18 200.06 2 0 -22.53 -999 ? O1 GOL L3028s >ARG~P 14 160.23 180.86 201.41 159.06 183.03 199.69 159.65 181.95 200.55 2 0 15.62 -999 ? O1 GOL L3028 >LEU~P 15 158.08 175.00 205.52 156.27 174.49 206.61 157.18 174.75 206.06 3 0 15.02 -999 ? O1 GOL L3028 >ILE~P 16 163.18 173.52 206.45 163.95 172.37 206.08 163.56 172.95 206.27 3 0 21.33 -999 ? O1 GOL L3028 >LEU~P 17 164.21 178.69 206.81 166.17 178.82 205.90 165.19 178.75 206.35 3 0 22.08 -999 ? O1 GOL L3028 >SER~P 18 160.57 179.24 209.35 158.22 179.71 209.48 159.39 179.47 209.42 2 0 17.05 -999 ? O1 GOL L3028 >ASN~P 19 160.18 174.82 211.39 158.25 174.28 210.61 159.21 174.55 211.00 2 0 18.28 -999 ? O1 GOL L3028 >GLN~P 20 165.54 175.47 211.32 167.41 175.46 210.27 166.47 175.46 210.80 2 0 -25.73 -999 ? O1 GOL L3028s >TYR~P 21 164.13 181.87 211.82 166.34 182.20 210.17 165.23 182.04 211.00 3 0 24.07 -999 ? O1 GOL L3028 >LYS~P 22 160.29 179.27 215.80 155.06 178.69 212.33 157.68 178.98 214.07 2 0 16.49 -999 ? O1 GOL L3028 >MET~P 23 162.53 176.78 217.61 162.78 172.89 216.17 162.66 174.84 216.89 2 0 25.42 -999 ? O1 GOL L3028 >MET~P 24 165.29 179.31 218.06 167.52 179.65 214.54 166.40 179.48 216.30 2 0 27.60 -999 ? O1 GOL L3028 >THR~P 25 162.77 181.61 219.73 161.27 183.01 219.06 162.02 182.31 219.39 2 0 25.98 -999 ? O1 GOL L3028 >MET~P 26 161.71 178.77 222.07 159.53 175.77 220.21 160.62 177.27 221.14 2 0 25.60 -999 ? O1 GOL L3028 >LEU~P 27 166.34 177.27 221.99 166.47 175.14 221.76 166.41 176.20 221.87 3 0 31.35 -999 ? O1 GOL L3028 >ASP~P 28 167.75 181.83 222.09 168.94 183.53 222.37 168.35 182.68 222.23 2 0 33.76 -999 ? O1 GOL L3028 >PRO.P 29 163.54 182.54 226.02 164.13 183.31 223.98 163.83 182.93 225.00 3 0 32.10 -999 ? O1 GOL L3028 >ALA.P 30 165.78 186.84 224.71 167.10 186.81 225.38 166.44 186.83 225.05 2 0 35.16 -999 ? O1 GOL L3028 >ASN~P 31 167.75 186.44 220.46 169.52 187.23 221.29 168.64 186.83 220.88 2 0 33.36 -999 ? O3 GOL M3007 >ALA~P 32 162.95 186.57 219.86 161.75 186.59 220.72 162.35 186.58 220.29 2 0 28.28 -999 ? O1 GOL L3028 >GLU~P 33 163.74 192.47 217.62 164.80 194.16 218.49 164.27 193.31 218.06 2 0 27.79 -999 ? O3 GOL M3007 >ARG~P 34 169.45 187.34 216.38 171.34 189.81 216.30 170.39 188.58 216.34 2 0 27.86 -999 ? O3 GOL M3007 >TYR~P 35 165.51 183.94 216.71 167.90 183.49 218.05 166.70 183.72 217.38 3 0 28.94 -999 ? O1 GOL L3028 >ARG~P 36 157.78 187.06 214.51 156.14 185.86 212.27 156.96 186.46 213.39 2 0 18.56 -999 ? O1 GOL L3028 >ARG~P 37 165.27 191.94 211.53 167.28 191.57 209.25 166.27 191.75 210.39 2 0 -21.37 -999 ? O3 GOL M3007s >LEU~P 38 165.28 185.76 210.41 167.36 186.26 210.40 166.32 186.01 210.41 3 0 25.60 -999 ? O1 GOL L3028 >GLN~P 39 159.03 183.10 211.14 157.85 182.87 212.95 158.44 182.99 212.04 2 0 19.31 -999 ? O1 GOL L3028 >THR~P 40 159.06 187.40 208.46 158.17 189.22 209.24 158.61 188.31 208.85 2 0 19.80 -999 ? O1 GOL L3028 >ILE~P 41 163.15 188.11 206.02 164.37 188.75 206.06 163.76 188.43 206.04 3 0 22.33 -999 ? O3 GOL M3007 >ILE~P 42 161.98 182.95 205.78 163.01 182.45 204.99 162.50 182.70 205.38 3 0 19.60 -999 ? O1 GOL L3028 >GLU~P 43 157.04 182.77 207.26 156.16 182.81 209.15 156.60 182.79 208.21 2 0 15.67 -999 ? O1 GOL L3028 >ARG~P 44 155.73 189.76 205.27 154.58 191.34 207.62 155.15 190.55 206.45 2 0 18.01 -999 ? O1 GOL L3028 >GLY~P 45 159.87 186.40 200.77 159.64 187.12 201.08 159.75 186.76 200.93 1 0 17.57 -999 ? O1 GOL L3028 >TYR~P 46 160.14 191.17 202.97 157.85 192.22 204.10 158.99 191.70 203.54 3 0 20.03 -999 ? O1 GOL L3028 >GLY~P 47 163.80 189.86 198.22 163.85 190.37 198.81 163.83 190.12 198.51 1 0 17.92 -999 ? O3 GOL M3007 >LEU~P 48 165.66 194.07 199.67 167.12 195.69 199.70 166.39 194.88 199.69 3 0 13.16 -999 ? O3 GOL M3007 >GLN~P 49 165.46 192.43 204.59 164.40 193.94 203.51 164.93 193.18 204.05 2 0 -16.44 -999 ? O3 GOL M3007s >MET~P 50 167.00 187.63 201.22 163.60 185.57 200.10 165.30 186.60 200.66 2 0 20.70 -999 ? O1 GOL L3028 >ARG~P 51 171.10 192.14 197.11 173.97 192.46 196.07 172.53 192.30 196.59 2 0 14.75 -999 ? O3 GOL M3007 >GLU~P 52 170.60 192.65 202.74 169.53 193.98 203.95 170.07 193.32 203.35 2 0 -15.89 -999 ? O3 GOL M3007s >LEU~P 53 169.97 185.98 203.76 168.78 185.70 205.51 169.38 185.84 204.64 3 0 23.11 -999 ? O3 GOL M3007 >ASP~P 54 172.77 185.90 199.12 171.10 184.95 198.29 171.94 185.43 198.70 2 0 21.88 -999 ? O3 GOL M3007 >ARG~P 55 176.25 189.61 198.56 175.31 187.31 196.65 175.78 188.46 197.61 2 0 20.09 -999 ? O3 GOL M3007 >GLU.P 56 174.58 187.04 206.13 173.17 186.75 207.60 173.87 186.90 206.87 2 0 24.16 -999 ? O3 GOL M3007 >PHE.P 57 175.72 181.74 203.51 174.03 181.34 205.67 174.87 181.54 204.59 3 0 27.52 -999 ? O3 GOL M3007 >GLY.P 58 181.27 182.97 201.43 180.87 182.24 201.54 181.07 182.60 201.48 1 0 25.31 -999 ? O1 GOL P3034 >GLU.P 59 183.91 180.18 196.89 184.59 182.10 196.19 184.25 181.14 196.54 2 0 23.07 -999 ? O3 GOL P3014 >LEU.P 60 187.82 179.72 200.95 189.81 180.55 201.19 188.81 180.13 201.07 3 0 18.25 -999 ? O1 GOL P3034 >LYS~P 61 187.60 176.80 197.02 187.44 179.17 191.02 187.52 177.99 194.02 2 0 20.24 -999 ? O3 GOL P3014 >GLU~P 62 189.60 171.13 198.21 189.20 169.27 197.38 189.40 170.20 197.79 2 0 14.35 -999 ? O3 GOL P3014 >GLU~P 63 192.19 173.00 193.76 193.59 171.39 194.28 192.89 172.20 194.02 2 0 10.86 -999 ? O3 GOL P3014 >THR~P 64 192.75 177.71 197.46 191.86 179.57 196.92 192.31 178.64 197.19 2 0 15.75 -999 ? O3 GOL P3014 >CYH~P 65 192.53 176.25 200.97 189.83 176.07 201.77 191.18 176.16 201.37 2 0 15.32 -999 ? O1 GOL P3034 >ARG~P 66 193.73 170.42 198.48 192.94 168.00 200.19 193.33 169.21 199.33 2 0 -10.88 -999 ? O3 GOL P3014s >THR~P 67 197.48 176.33 198.45 197.56 177.49 196.62 197.52 176.91 197.53 2 0 10.43 -999 ? O3 GOL P3014 >ILE~P 68 196.13 178.92 202.31 195.34 179.99 202.69 195.73 179.46 202.50 3 0 12.94 -999 ? O1 GOL P3034 >ILE~P 69 197.52 174.01 203.86 196.79 173.11 204.57 197.16 173.56 204.22 3 0 7.76 -999 ? O1 GOL P3034 >ASP~P 70 200.75 174.15 199.66 202.28 173.10 198.62 201.51 173.63 199.14 2 0 4.30 -999 ? O3 GOL P3014 >ILE~P 71 201.74 179.28 201.32 201.38 180.45 200.73 201.56 179.86 201.03 3 0 11.42 -999 ? O3 GOL P3014 >MET~P 72 202.71 177.34 205.28 199.31 178.40 207.40 201.01 177.87 206.34 2 0 8.55 -999 ? O1 GOL P3034 >GLU~P 73 204.36 171.43 203.90 204.84 170.63 205.81 204.60 171.03 204.85 2 0 5.04 -999 ? O1 GOL P3034 >MET~P 74 206.80 175.63 202.26 207.30 178.14 199.02 207.05 176.88 200.64 2 0 9.84 -999 ? O2 GOL P3014 >TYR~P 75 207.22 180.36 204.70 207.43 182.65 203.13 207.33 181.50 203.92 3 0 10.23 -999 ? CL CL P2019 >HIS~P 76 207.59 172.73 208.38 208.33 171.09 209.49 207.96 171.91 208.94 3 0 4.69 -999 ? CL CL P2019s >ALA~P 77 210.48 173.29 204.91 210.13 172.95 203.48 210.30 173.12 204.20 2 0 8.06 -999 ? O2 GOL P3014 >LEU~P 78 211.72 177.82 203.93 211.74 178.57 201.94 211.73 178.20 202.93 3 0 9.99 -999 ? CL CL P2019 >HIS~P 79 212.25 178.47 210.26 213.09 179.27 212.01 212.67 178.87 211.14 3 0 5.38 -999 ? CL CL P2019 >VAL~P 80 213.81 173.77 209.07 212.90 171.82 209.48 213.35 172.80 209.27 3 0 6.02 -999 ? CL CL P2019 >SER~P 81 216.34 173.84 206.20 215.26 172.77 204.29 215.80 173.31 205.24 2 0 10.48 -999 ? CL CL P2019 >TRP~P 82 218.35 180.63 207.32 217.67 181.08 211.18 218.01 180.86 209.25 3 0 11.18 -999 ? CL CL P2019 >SER~P 83 218.12 176.21 210.92 216.94 174.20 211.47 217.53 175.20 211.19 2 0 8.38 -999 ? CL CL P2019 >ASN~P 84 219.43 171.97 209.05 218.45 170.73 210.43 218.94 171.35 209.74 2 0 10.96 -999 ? CL CL P2019 >LEU.P 85 222.54 176.37 206.94 221.65 176.53 204.93 222.10 176.45 205.94 3 0 14.78 -999 ? CL CL P2019 >GLN.P 86 227.15 177.19 211.54 225.59 178.35 212.54 226.37 177.77 212.04 2 0 17.19 -999 ? CL CL P2019 >ASP.P 87 228.00 178.08 205.41 229.30 179.67 204.97 228.65 178.88 205.19 2 0 22.22 -999 ? CL CL P2019 >GLN.P 88 222.41 179.84 208.15 221.75 180.64 210.03 222.08 180.24 209.09 2 0 14.24 -999 ? CL CL P2019 >GLN.P 89 224.73 182.81 200.85 225.57 180.84 201.17 225.15 181.83 201.01 2 0 20.81 -999 ? CL CL P2019 >SER.P 90 223.89 184.29 206.92 226.01 184.74 208.04 224.95 184.52 207.48 2 0 20.10 -999 ? CL CL P2019 >ILE.P 91 219.68 183.17 204.59 219.23 182.43 203.60 219.46 182.80 204.09 3 0 15.30 -999 ? CL CL P2019 >ASP~P 92 217.62 187.96 206.84 216.52 189.08 208.26 217.07 188.52 207.55 2 0 16.23 -999 ? CL CL P2019 >GLU~P 93 214.54 183.14 211.27 214.54 182.92 213.36 214.54 183.03 212.31 2 0 9.65 -999 ? CL CL P2019 >ARG~P 94 211.03 190.17 208.71 208.47 191.85 208.50 209.75 191.01 208.61 2 0 16.84 -999 ? CL CL P2019 >ARG~P 95 215.71 187.54 202.72 215.66 187.33 199.63 215.69 187.43 201.17 2 0 18.58 -999 ? CL CL P2019 >VAL~P 96 212.38 182.24 205.89 213.92 180.66 205.97 213.15 181.45 205.93 3 0 9.69 -999 ? CL CL P2019 >THR~P 97 209.41 183.26 208.09 209.69 184.17 210.04 209.55 183.72 209.06 2 0 9.06 -999 ? CL CL P2019 >PHE.P 98 203.50 182.03 206.67 200.90 182.30 205.78 202.20 182.17 206.22 3 0 11.01 -999 ? CL CL P2019 >LEU.P 99 205.13 187.68 206.38 207.13 188.38 206.85 206.13 188.03 206.61 3 0 13.98 -999 ? CL CL P2019 >GLY.P 100 200.81 185.95 206.27 201.28 186.23 205.69 201.05 186.09 205.98 1 0 14.36 -999 ? CL CL P2019 >PHE.P 101 197.59 185.62 203.03 198.21 183.20 201.89 197.90 184.41 202.46 3 0 16.12 -999 ? O1 GOL P3034 >ASP.P 102 197.01 191.93 202.05 196.73 194.01 202.05 196.87 192.97 202.05 2 0 24.26 -999 ? CL CL P2019 >ALA.P 103 193.97 192.06 205.68 194.07 192.84 206.95 194.02 192.45 206.32 2 0 22.96 -999 ? O2 GOL P3034 >ALA.P 104 192.65 194.69 203.24 193.36 195.93 203.02 193.00 195.31 203.13 2 0 27.15 -999 ? C3 GOL M3007 >THR.P 105 192.76 192.82 199.88 194.36 193.92 198.88 193.56 193.37 199.38 2 0 26.53 -999 ? O3 GOL P3014 >GLU~P 106 195.52 189.19 199.68 197.57 188.76 199.63 196.55 188.97 199.66 2 0 20.67 -999 ? O3 GOL P3014 >ALA~P 107 190.95 188.80 203.91 189.77 189.77 204.20 190.36 189.29 204.05 2 0 23.00 -999 ? O2 GOL P3034 >ARG~P 108 187.53 185.71 199.97 188.17 183.79 197.64 187.85 184.74 198.81 2 0 21.30 -999 ? O3 GOL P3014 >TYR~P 109 193.88 184.51 200.52 193.11 184.53 197.85 193.49 184.52 199.19 3 0 18.49 -999 ? O3 GOL P3014 >LEU~P 110 194.21 187.19 206.62 195.34 188.05 208.34 194.78 187.62 207.48 3 0 17.88 -999 ? O2 GOL P3034 >GLY~P 111 191.04 184.31 207.87 191.64 183.91 207.50 191.34 184.11 207.69 1 0 16.90 -999 ? O2 GOL P3034 >TYR~P 112 191.84 178.79 205.19 191.53 176.04 204.95 191.68 177.41 205.07 3 0 13.01 -999 ? O1 GOL P3034 >VAL~P 113 195.43 180.97 208.15 197.33 181.97 207.64 196.38 181.47 207.89 3 0 11.89 -999 ? O2 GOL P3034 >ARG~P 114 193.59 185.96 211.51 194.17 188.98 211.79 193.88 187.47 211.65 2 0 18.57 -999 ? O2 GOL P3034 >PHE~P 115 189.44 177.92 210.39 187.77 175.70 210.68 188.60 176.81 210.53 3 0 13.86 -999 ? O2 GOL P3034 >MET~P 116 194.09 176.65 210.54 193.24 174.73 208.17 193.66 175.69 209.36 2 0 -9.57 -999 ? O1 GOL P3034s >VAL~P 117 196.30 177.85 213.38 198.05 179.19 213.37 197.17 178.52 213.38 3 0 7.86 -999 ? O2 GOL P3034 >ASN~P 118 193.17 180.34 216.14 194.59 181.90 215.93 193.88 181.12 216.03 2 0 12.47 -999 ? O2 GOL P3034 >VAL~P 119 191.00 176.41 215.48 188.94 176.86 214.78 189.97 176.64 215.13 3 0 12.54 -999 ? O2 GOL P3034 >GLU.P 120 191.64 173.40 211.51 190.22 171.88 211.85 190.93 172.64 211.68 2 0 -11.18 -999 ? O2 GOL P3034s >GLY.P 121 195.91 173.94 215.78 195.91 173.79 214.98 195.91 173.86 215.38 1 0 6.50 -999 ? O2 GOL P3034 >ARG.P 122 198.11 171.86 209.38 198.78 170.26 206.84 198.45 171.06 208.11 2 0 -4.11 -999 ? O1 GOL P3034s >TYR.P 123 201.57 175.22 210.06 201.77 173.54 207.86 201.67 174.38 208.96 3 0 -3.93 -999 ? O1 GOL P3034s >THR.P 124 201.25 176.62 216.19 200.03 175.21 217.30 200.64 175.91 216.75 2 0 5.70 -999 ? O2 GOL P3034 >HIS.P 125 205.78 175.00 217.63 205.21 173.76 219.23 205.50 174.38 218.43 3 0 6.57 -999 ? O3 GOL P3034 >PHE.P 126 204.37 178.75 211.23 204.90 177.05 209.08 204.63 177.90 210.15 3 0 5.10 -999 ? CL CL P2019 >ASP.P 127 207.19 183.81 214.61 207.22 185.89 215.11 207.20 184.85 214.86 2 0 11.05 -999 ? CL CL P2019 >ALA.P 128 202.58 185.14 214.18 201.42 184.99 215.13 202.00 185.07 214.66 2 0 12.43 -999 ? CL CL P2019 >GLY.P 129 204.46 188.51 214.20 203.84 188.48 214.51 204.15 188.49 214.36 1 0 13.95 -999 ? CL CL P2019 >THR.P 130 202.44 191.20 216.14 204.16 192.61 215.65 203.30 191.90 215.90 2 0 18.17 -999 ? CL CL P2019 >HIS.P 131 199.94 193.83 213.04 200.54 195.72 213.71 200.24 194.77 213.38 3 0 21.18 -999 ? CL CL P2019 >GLY.P 132 198.36 187.78 213.79 198.73 188.18 213.14 198.55 187.98 213.47 1 0 16.20 -999 ? O2 GOL P3034 >PHE.P 133 199.80 184.45 210.90 201.07 182.43 212.28 200.44 183.44 211.59 3 0 11.52 -999 ? CL CL P2019 >ASN.P 134 197.55 191.31 209.34 197.08 192.94 207.98 197.31 192.13 208.66 2 0 21.42 -999 ? CL CL P2019 >ALA.P 135 201.29 191.04 206.34 201.72 190.19 205.13 201.50 190.62 205.74 2 0 17.74 -999 ? CL CL P2019 >GLN.P 136 200.84 195.00 207.67 200.95 196.42 209.32 200.90 195.71 208.50 2 0 22.56 -999 ? CL CL P2019 >THR.P 137 200.99 193.88 201.82 203.01 194.45 201.35 202.00 194.16 201.58 2 0 22.56 -999 ? CL CL P2019 >PRO.P 138 198.55 193.45 198.28 199.78 192.08 199.56 199.16 192.76 198.92 3 0 23.74 -999 ? CL CL P2019 >MET~P 139 201.49 188.19 199.19 203.91 189.29 201.08 202.70 188.74 200.14 2 0 18.32 -999 ? CL CL P2019 >TRP~P 140 197.38 184.75 194.70 196.33 181.69 196.87 196.85 183.22 195.79 3 0 15.82 -999 ? O3 GOL P3014 >GLU~P 141 200.04 187.90 192.14 200.20 189.50 190.73 200.12 188.70 191.44 2 0 21.95 -999 ? O3 GOL P3014 >LYS~P 142 204.59 186.28 195.60 209.96 186.96 196.62 207.27 186.62 196.11 2 0 18.94 -999 ? O2 GOL P3014 >TYR~P 143 202.86 183.43 199.65 203.11 184.67 202.14 202.98 184.05 200.89 3 0 15.20 -999 ? CL CL P2019 >GLN~P 144 200.41 182.40 193.61 199.53 181.01 194.99 199.97 181.71 194.30 2 0 12.96 -999 ? O3 GOL P3014 >ARG~P 145 206.30 185.90 191.05 208.78 186.92 189.45 207.54 186.41 190.25 2 0 19.93 -999 ? O1 GOL P3014 >MET~P 146 207.94 180.78 195.58 208.00 183.15 198.96 207.97 181.96 197.27 2 0 14.83 -999 ? O3 GOL P3014 >LEU~P 147 204.30 177.55 195.43 203.04 177.22 197.15 203.67 177.38 196.29 3 0 8.50 -999 ? O3 GOL P3014 >ASN~P 148 206.51 178.28 190.78 206.84 177.74 188.77 206.67 178.01 189.78 2 0 11.59 -999 ? O1 GOL P3014 >VAL~P 149 210.49 177.16 192.69 212.04 178.72 192.65 211.26 177.94 192.67 3 0 11.42 -999 ? O1 GOL P3014 >TRP~P 150 210.27 173.82 198.63 206.78 172.70 200.12 208.52 173.26 199.38 3 0 5.47 -999 ? O2 GOL P3014 >HIS~P 151 205.70 172.52 194.71 204.41 172.45 196.35 205.06 172.49 195.53 3 0 -4.15 -999 ? C3 GOL P3014s >ALA.P 152 210.85 172.19 191.28 211.14 173.37 190.40 210.99 172.78 190.84 2 0 8.56 -999 ? O1 GOL P3014 >CYH.P 153 213.41 171.20 193.92 214.01 173.48 195.24 213.71 172.34 194.58 2 0 9.50 -999 ? O2 GOL P3014 >PRO.P 154 215.51 167.92 191.93 213.98 168.17 193.51 214.74 168.04 192.72 3 0 8.72 -999 ? O1 GOL P3014 >ARG.P 155 216.42 165.88 200.05 218.98 167.31 198.98 217.70 166.59 199.52 2 0 12.61 -999 ? O2 GOL P3014 >GLN.P 156 210.27 169.93 197.18 208.60 169.17 196.23 209.44 169.55 196.71 2 0 -2.85 -999 ? O2 GOL P3014s >TYR.P 157 210.70 168.63 203.45 207.96 169.02 203.20 209.33 168.83 203.32 3 0 6.12 -999 ? O2 GOL P3014 >HIS.P 158 216.29 167.50 205.15 215.20 166.66 206.73 215.74 167.08 205.94 3 0 12.33 -999 ? O2 GOL P3014 >LEU.P 159 216.28 173.40 200.98 214.29 173.26 200.18 215.28 173.33 200.58 3 0 10.45 -999 ? O2 GOL P3014 >SER~P 160 220.63 173.93 200.59 220.88 174.20 198.17 220.76 174.07 199.38 2 0 15.55 -999 ? O2 GOL P3014 >ALA~P 161 221.30 177.65 201.00 222.65 178.25 201.44 221.98 177.95 201.22 2 0 17.76 -999 ? CL CL P2019 >ASN~P 162 222.14 176.71 196.35 222.77 177.56 194.52 222.45 177.14 195.44 2 0 19.02 -999 ? O2 GOL P3014 >GLU~P 163 218.06 173.97 196.16 217.79 171.96 196.61 217.92 172.97 196.39 2 0 11.95 -999 ? O2 GOL P3014 >ILE~P 164 217.20 178.59 201.28 217.07 178.51 202.77 217.14 178.55 202.03 3 0 13.47 -999 ? CL CL P2019 >ASN~P 165 219.28 181.89 197.79 220.29 182.63 199.54 219.78 182.26 198.66 2 0 18.52 -999 ? CL CL P2019 >GLN~P 166 217.71 179.11 193.44 217.65 177.49 192.12 217.68 178.30 192.78 2 0 15.12 -999 ? O1 GOL P3014 >ILE~P 167 212.60 178.99 197.63 212.10 177.78 198.02 212.35 178.38 197.83 3 0 11.59 -999 ? O2 GOL P3014 >ILE~P 168 213.55 183.64 199.96 214.66 183.10 200.91 214.11 183.37 200.43 3 0 15.08 -999 ? CL CL P2019 >ASN~P 169 215.43 185.33 195.20 216.81 186.25 196.56 216.12 185.79 195.88 2 0 20.57 -999 ? CL CL P2019 >ALA~P 170 211.39 184.06 193.31 210.59 182.76 193.44 210.99 183.41 193.37 2 0 15.54 -999 ? O1 GOL P3014