REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 14-OCT-08 3EW1 COMPND RHIZAVIDIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; SOURCE 3 ORGANISM_TAXID: 347834; SOURCE 4 STRAIN: CFN 42; SOURCE 5 GENE: RHE_PD00032; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR O.LIVNAH,A.MEIR SSBOND 1 CYS A 50 CYS A 79 1555 1555 2.11 SSBOND 2 CYS B 50 CYS B 79 1555 1555 2.10 SSBOND 3 CYS C 50 CYS C 79 1555 1555 2.11 SSBOND 4 CYS D 50 CYS D 79 1555 1555 2.08 SSBOND 5 CYS E 50 CYS E 79 1555 1555 2.10 SSBOND 6 CYS F 50 CYS F 79 1555 1555 2.14 >PHE.A 1 10.73 20.69 3.85 9.16 22.29 2.15 9.94 21.49 3.00 3 0 1000.00 -999 ? >ASP.A 2 9.07 23.46 8.88 7.37 24.48 9.67 8.22 23.97 9.27 2 0 1000.00 -999 ? >ALA.A 3 6.49 23.08 4.72 5.63 21.99 4.05 6.06 22.53 4.38 2 0 1000.00 -999 ? >SER.A 4 4.72 25.87 6.61 4.81 25.72 9.03 4.76 25.80 7.82 2 0 1000.00 -999 ? >ASN.A 5 8.56 27.71 8.31 7.37 28.77 9.71 7.97 28.24 9.01 2 0 1000.00 -999 ? >PHE.A 6 9.90 26.60 1.11 11.35 26.54 -1.27 10.62 26.57 -0.08 3 0 1000.00 -999 ? >LYS.A 7 12.39 29.88 3.04 10.05 31.53 7.23 11.22 30.70 5.14 2 0 1000.00 -999 ? >ASP~A 8 15.14 29.71 -0.59 16.74 29.45 0.75 15.94 29.58 0.08 2 0 1000.00 -999 ? >PHE~A 9 13.97 25.43 -4.28 11.54 25.38 -5.71 12.76 25.40 -5.00 3 0 1000.00 -999 ? >SER~A 10 17.73 25.07 0.60 18.38 27.19 1.54 18.06 26.13 1.07 2 0 1000.00 -999 ? >SER~A 11 14.93 24.41 3.10 13.75 26.48 3.60 14.34 25.45 3.35 2 0 1000.00 -999 ? >ILE~A 12 13.12 21.32 -0.08 12.23 21.90 -1.03 12.67 21.61 -0.56 3 0 1000.00 -999 ? >ALA.A 13 17.94 20.88 -0.46 19.04 21.94 -0.61 18.49 21.41 -0.54 2 0 1000.00 -999 ? >SER.A 14 19.81 17.68 0.30 21.65 19.11 0.68 20.73 18.40 0.49 2 0 1000.00 -999 ? >ALA.A 15 16.82 15.31 0.67 16.19 15.04 2.03 16.51 15.17 1.35 2 0 1000.00 -999 ? >SER^A 16 14.07 14.22 -1.73 14.86 12.32 -2.96 14.47 13.27 -2.35 2 0 1000.00 -999 ? >SER^A 17 10.69 16.01 -1.82 11.21 18.24 -2.68 10.95 17.12 -2.25 2 0 1000.00 -999 ? >SER^A 18 7.41 14.99 -3.49 7.66 12.67 -2.97 7.53 13.83 -3.23 2 0 1000.00 -999 ? >TRP^A 19 8.18 18.13 -5.23 7.65 21.47 -3.15 7.92 19.80 -4.19 3 0 1000.00 -999 ? >GLN^A 20 -0.66 15.63 -6.87 -2.10 14.69 -5.62 -1.38 15.16 -6.25 2 0 1000.00 -999 ? >ASN^A 21 0.60 19.85 -10.72 0.25 18.60 -12.43 0.43 19.22 -11.58 2 0 1000.00 -999 ? >GLN.A 22 -3.96 22.17 -12.01 -1.92 22.33 -12.64 -2.94 22.25 -12.33 2 0 1000.00 -999 ? >SER.A 23 -3.94 17.78 -12.88 -3.57 19.25 -14.77 -3.75 18.51 -13.83 2 0 1000.00 -999 ? >GLY.A 24 -2.84 14.76 -10.88 -2.25 15.19 -11.21 -2.55 14.98 -11.04 1 0 1000.00 -999 ? >SER.A 25 0.75 14.65 -12.10 0.55 15.26 -14.41 0.65 14.95 -13.26 2 0 1000.00 -999 ? >THR^A 26 3.43 14.06 -9.52 2.58 12.26 -8.57 3.01 13.16 -9.05 2 0 1000.00 -999 ? >MET^A 27 7.16 14.60 -9.24 8.20 18.47 -10.34 7.68 16.54 -9.79 2 0 1000.00 -999 ? >ILE^A 28 10.10 12.11 -6.45 9.95 11.00 -5.51 10.02 11.55 -5.98 3 0 1000.00 -999 ? >ILE^A 29 12.59 17.33 -7.33 11.68 18.45 -7.61 12.13 17.89 -7.47 3 0 1000.00 -999 ? >GLN^A 30 16.92 13.79 -5.30 15.74 12.84 -6.76 16.33 13.32 -6.03 2 0 1000.00 -999 ? >VAL^A 31 17.87 19.74 -4.91 16.71 21.60 -5.02 17.29 20.67 -4.97 3 0 1000.00 -999 ? >ASP.A 32 22.63 18.85 -4.83 23.44 19.85 -6.52 23.03 19.35 -5.68 2 0 1000.00 -999 ? >SER.A 33 23.62 22.36 -2.40 25.66 21.46 -1.54 24.64 21.91 -1.97 2 0 1000.00 -999 ? >PHE.A 34 27.08 22.12 -5.67 28.99 21.02 -3.96 28.03 21.57 -4.82 3 0 1000.00 -999 ? >GLY.A 35 21.56 24.44 -7.12 21.88 23.69 -7.30 21.72 24.07 -7.21 1 0 1000.00 -999 ? >ASN^A 36 22.31 20.37 -9.59 22.25 19.71 -11.59 22.28 20.04 -10.59 2 0 1000.00 -999 ? >VAL^A 37 17.76 19.63 -9.57 15.85 20.75 -9.41 16.81 20.19 -9.49 3 0 1000.00 -999 ? >SER^A 38 17.28 15.97 -10.45 19.66 15.51 -10.56 18.47 15.74 -10.51 2 0 1000.00 -999 ? >GLY^A 39 14.11 13.96 -10.26 14.40 13.81 -10.99 14.25 13.89 -10.63 1 0 1000.00 -999 ? >GLN^A 40 12.65 9.78 -11.46 13.41 9.28 -13.36 13.03 9.53 -12.41 2 0 1000.00 -999 ? >TYR^A 41 6.98 15.14 -14.32 4.74 16.84 -14.41 5.86 15.99 -14.36 3 0 1000.00 -999 ? >VAL^A 42 4.87 11.08 -13.60 4.50 9.20 -12.58 4.69 10.14 -13.09 3 0 1000.00 -999 ? >ASN.A 43 2.75 12.84 -17.49 1.15 13.65 -18.64 1.95 13.25 -18.07 2 0 1000.00 -999 ? >ARG.A 44 -1.37 10.16 -12.02 1.12 9.72 -10.36 -0.13 9.94 -11.19 2 0 1000.00 -999 ? >ALA.A 45 -2.77 15.12 -17.32 -1.94 16.24 -17.92 -2.35 15.68 -17.62 2 0 1000.00 -999 ? >GLN.A 46 -7.72 16.13 -18.75 -9.83 16.55 -18.57 -8.78 16.34 -18.66 2 0 1000.00 -999 ? >GLY.A 47 -5.77 13.82 -22.86 -5.16 13.61 -22.40 -5.46 13.72 -22.63 1 0 1000.00 -999 ? >THR.A 48 -2.00 13.29 -22.97 -1.27 14.52 -21.38 -1.63 13.90 -22.18 2 0 1000.00 -999 ? >GLY.A 49 0.26 10.40 -23.84 0.37 11.00 -23.27 0.32 10.70 -23.55 1 0 1000.00 -999 ? >CSS.A 50 3.11 9.17 -21.65 5.05 9.71 -23.56 4.08 9.44 -22.61 2 0 1000.00 -999 ? >GLN.A 51 -1.04 10.09 -18.99 -3.13 10.28 -18.76 -2.08 10.19 -18.88 2 0 1000.00 -999 ? >ASN.A 52 0.49 5.83 -15.32 -1.10 6.94 -14.43 -0.30 6.38 -14.88 2 0 1000.00 -999 ? >SER.A 53 5.47 5.99 -15.90 5.95 5.97 -18.26 5.71 5.98 -17.08 2 0 1000.00 -999 ? >PRO^A 54 9.31 5.97 -13.60 7.99 7.40 -14.75 8.65 6.68 -14.17 3 0 1000.00 -999 ? >TYR^A 55 8.73 10.51 -18.81 7.21 8.89 -20.46 7.97 9.70 -19.63 3 0 1000.00 -999 ? >PRO^A 56 14.64 10.17 -17.25 13.16 11.52 -16.21 13.90 10.85 -16.73 3 0 1000.00 -999 ? >LEU^A 57 12.63 15.84 -13.66 12.14 17.64 -12.44 12.38 16.74 -13.05 3 0 1000.00 -999 ? >THR^A 58 16.57 17.99 -14.48 17.76 17.04 -15.95 17.16 17.52 -15.22 2 0 1000.00 -999 ? >GLY^A 59 16.73 21.66 -13.55 17.33 21.30 -13.15 17.03 21.48 -13.35 1 0 1000.00 -999 ? >ARG^A 60 21.33 24.19 -12.55 23.42 25.16 -10.50 22.38 24.67 -11.52 2 0 1000.00 -999 ? >VAL^A 61 17.33 26.60 -8.63 16.90 25.14 -7.05 17.11 25.87 -7.84 3 0 1000.00 -999 ? >ASN^A 62 18.62 31.01 -8.65 19.49 32.90 -8.18 19.05 31.95 -8.42 2 0 1000.00 -999 ? >GLY.A 63 16.81 31.09 -4.12 16.55 30.52 -4.72 16.68 30.81 -4.42 1 0 1000.00 -999 ? >THR.A 64 13.03 30.60 -4.47 12.09 32.27 -3.46 12.56 31.44 -3.96 2 0 1000.00 -999 ? >PHE^A 65 13.09 32.88 -8.67 11.77 35.18 -7.83 12.43 34.03 -8.25 3 0 1000.00 -999 ? >ILE^A 66 12.56 26.08 -9.49 11.79 24.86 -9.25 12.18 25.47 -9.37 3 0 1000.00 -999 ? >ALA^A 67 13.37 25.94 -13.80 14.07 26.77 -14.84 13.72 26.36 -14.32 2 0 1000.00 -999 ? >PHE^A 68 11.23 21.50 -13.24 8.53 21.49 -12.61 9.88 21.50 -12.93 3 0 1000.00 -999 ? >SER^A 69 12.87 20.18 -17.91 14.53 21.82 -18.74 13.70 21.00 -18.32 2 0 1000.00 -999 ? >VAL^A 70 11.40 16.80 -18.96 9.91 15.72 -17.69 10.66 16.26 -18.33 3 0 1000.00 -999 ? >GLY^A 71 11.86 15.00 -22.27 11.50 14.66 -21.55 11.68 14.83 -21.91 1 0 1000.00 -999 ? >TRP^A 72 7.21 15.77 -22.86 6.01 14.66 -19.30 6.61 15.22 -21.08 3 0 1000.00 -999 ? >ASN^A 73 11.67 9.32 -25.13 12.15 7.31 -25.72 11.91 8.32 -25.43 2 0 1000.00 -999 ? >ASN.A 74 10.96 7.14 -19.70 9.03 6.24 -19.89 9.99 6.69 -19.80 2 0 1000.00 -999 ? >SER.A 75 12.10 3.80 -23.05 13.29 2.53 -21.29 12.70 3.16 -22.17 2 0 1000.00 -999 ? >THR.A 76 8.60 2.76 -21.88 7.77 2.24 -19.93 8.18 2.50 -20.91 2 0 1000.00 -999 ? >GLU^A 77 4.29 6.05 -24.40 2.35 6.33 -23.43 3.32 6.19 -23.91 2 0 1000.00 -999 ? >ASN^A 78 9.05 7.42 -27.39 10.00 8.95 -28.59 9.53 8.19 -27.99 2 0 1000.00 -999 ? >CSS^A 79 5.87 11.00 -27.05 3.91 10.45 -25.17 4.89 10.72 -26.11 2 0 1000.00 -999 ? >ASN^A 80 8.00 12.65 -30.56 8.92 10.92 -31.38 8.46 11.78 -30.97 2 0 1000.00 -999 ? >SER^A 81 8.19 16.17 -27.21 6.29 15.32 -25.97 7.24 15.75 -26.59 2 0 1000.00 -999 ? >ALA^A 82 9.67 18.18 -24.33 11.11 18.60 -24.60 10.39 18.39 -24.46 2 0 1000.00 -999 ? >THR^A 83 8.39 20.42 -21.53 6.40 20.08 -20.68 7.39 20.25 -21.11 2 0 1000.00 -999 ? >GLY^A 84 10.14 23.16 -19.58 9.26 23.18 -19.60 9.70 23.17 -19.59 1 0 1000.00 -999 ? >TRP^A 85 5.79 22.79 -15.24 7.09 19.40 -16.75 6.44 21.09 -15.99 3 0 1000.00 -999 ? >THR^A 86 9.79 27.94 -14.87 11.02 29.16 -16.18 10.40 28.55 -15.52 2 0 1000.00 -999 ? >GLY^A 87 8.55 29.51 -11.68 9.31 29.24 -11.48 8.93 29.38 -11.58 1 0 1000.00 -999 ? >TYR^A 88 7.46 31.97 -7.88 4.89 33.01 -8.12 6.18 32.49 -8.00 3 0 1000.00 -999 ? >ALA^A 89 8.16 28.32 -4.57 9.08 27.37 -3.92 8.62 27.85 -4.25 2 0 1000.00 -999 ? >GLN^A 90 4.08 30.57 -3.11 2.82 32.05 -3.93 3.45 31.31 -3.52 2 0 1000.00 -999 ? >VAL^A 91 4.24 29.20 1.32 4.80 28.91 3.44 4.52 29.06 2.38 3 0 1000.00 -999 ? >ASN^A 92 0.19 29.16 -0.81 -1.66 30.10 -1.41 -0.74 29.63 -1.11 2 0 1000.00 -999 ? >GLY.A 93 -2.05 28.17 3.37 -1.27 28.00 3.30 -1.66 28.08 3.34 1 0 1000.00 -999 ? >ASN.A 94 -0.08 26.17 6.93 0.40 27.55 8.49 0.16 26.86 7.71 2 0 1000.00 -999 ? >ASN^A 95 1.05 23.36 2.08 2.05 21.57 1.47 1.55 22.47 1.77 2 0 1000.00 -999 ? >THR^A 96 4.52 25.05 0.16 6.73 24.89 0.50 5.62 24.97 0.33 2 0 1000.00 -999 ? >GLU^A 97 2.20 27.18 -3.78 0.18 27.85 -4.15 1.19 27.51 -3.97 2 0 1000.00 -999 ? >ILE^A 98 6.75 24.64 -7.22 8.11 24.12 -7.28 7.43 24.38 -7.25 3 0 1000.00 -999 ? >VAL^A 99 3.95 28.07 -9.14 2.69 29.79 -8.55 3.32 28.93 -8.84 3 0 1000.00 -999 ? >THR^A 100 4.99 27.55 -12.76 5.49 25.41 -12.61 5.24 26.48 -12.68 2 0 1000.00 -999 ? >SER^A 101 4.49 28.42 -16.34 3.97 30.74 -16.39 4.23 29.58 -16.37 2 0 1000.00 -999 ? >TRP^A 102 2.68 23.85 -17.40 1.04 23.15 -20.90 1.86 23.50 -19.15 3 0 1000.00 -999 ? >ASN^A 103 7.17 26.19 -23.21 6.85 28.30 -23.13 7.01 27.25 -23.17 2 0 1000.00 -999 ? >LEU^A 104 4.18 21.32 -24.23 3.69 19.27 -24.75 3.93 20.29 -24.49 3 0 1000.00 -999 ? >ALA^A 105 7.34 21.65 -27.68 8.79 21.98 -27.85 8.07 21.81 -27.76 2 0 1000.00 -999 ? >TYR^A 106 3.47 19.35 -29.51 1.25 20.95 -30.09 2.36 20.15 -29.80 3 0 1000.00 -999 ? >GLU^A 107 6.73 16.39 -34.80 7.16 18.02 -36.08 6.95 17.20 -35.44 2 0 1000.00 -999 ? >GLY.A 108 1.76 19.57 -34.31 2.23 19.19 -34.91 2.00 19.38 -34.61 1 0 1000.00 -999 ? >GLY.A 109 -0.55 19.11 -37.32 0.15 19.51 -37.27 -0.20 19.31 -37.30 1 0 1000.00 -999 ? >SER.A 110 1.47 21.39 -39.63 0.74 23.59 -38.90 1.10 22.49 -39.26 2 0 1000.00 -999 ? >GLY.A 111 4.92 21.15 -37.98 4.31 21.25 -37.36 4.61 21.20 -37.67 1 0 1000.00 -999 ? >PRO^A 112 8.59 22.21 -36.06 6.56 21.65 -35.29 7.57 21.93 -35.68 3 0 1000.00 -999 ? >ALA^A 113 4.64 23.91 -32.22 3.17 23.63 -32.38 3.90 23.77 -32.30 2 0 1000.00 -999 ? >ILE^A 114 6.03 26.27 -28.29 7.30 25.58 -28.02 6.67 25.92 -28.16 3 0 1000.00 -999 ? >GLU^A 115 -0.11 23.65 -25.37 -1.75 24.08 -26.63 -0.93 23.86 -26.00 2 0 1000.00 -999 ? >GLN^A 116 2.87 29.10 -24.34 3.20 31.19 -24.20 3.03 30.15 -24.27 2 0 1000.00 -999 ? >GLY^A 117 0.17 26.56 -19.80 0.98 26.81 -19.65 0.58 26.68 -19.72 1 0 1000.00 -999 ? >GLN^A 118 0.16 29.35 -16.16 -1.16 30.93 -15.63 -0.50 30.14 -15.90 2 0 1000.00 -999 ? >ASP^A 119 1.85 23.02 -13.57 1.19 21.69 -15.08 1.52 22.36 -14.33 2 0 1000.00 -999 ? >THR^A 120 0.99 24.63 -9.57 0.29 26.36 -8.39 0.64 25.49 -8.98 2 0 1000.00 -999 ? >PHE^A 121 4.22 21.00 -9.27 4.56 20.37 -12.02 4.39 20.68 -10.65 3 0 1000.00 -999 ? >GLN^A 122 -0.86 21.71 -3.99 -0.64 23.77 -3.49 -0.75 22.74 -3.74 2 0 1000.00 -999 ? >TYR^A 123 5.78 19.44 0.52 7.32 17.80 2.18 6.55 18.62 1.35 3 0 1000.00 -999 ? >VAL^A 124 3.26 16.08 -0.52 2.27 14.65 -1.85 2.77 15.36 -1.19 3 0 1000.00 -999 ? >PRO.A 125 2.95 16.25 3.90 4.21 15.26 2.33 3.58 15.76 3.11 3 0 1000.00 -999 ? >THR.A 126 6.00 11.36 3.04 7.66 10.21 3.81 6.83 10.79 3.42 2 0 1000.00 -999 ? >THR^A 127 3.90 8.53 4.37 2.33 8.07 2.95 3.12 8.30 3.66 2 0 1000.00 -999 ? >GLU^A 128 6.76 7.97 7.76 8.88 8.03 7.33 7.82 8.00 7.55 2 0 1000.00 -999 ? >ASN.A 129 4.99 1.27 5.87 3.51 2.16 4.59 4.25 1.72 5.23 2 0 1000.00 -999 ? >LYS.A 130 7.07 -0.06 9.59 4.26 2.03 13.88 5.67 0.98 11.73 2 0 1000.00 -999 ? >SER.A 131 8.31 -2.33 6.77 7.64 -4.66 7.15 7.97 -3.50 6.96 2 0 1000.00 -999 ? >LEU.A 132 8.83 -3.50 2.12 8.85 -3.29 -0.08 8.84 -3.40 1.02 3 0 1000.00 -999 ? >LEU.A 133 6.24 -7.67 4.63 7.70 -8.88 3.57 6.97 -8.28 4.10 3 0 1000.00 -999 ? >LYS.A 134 1.83 -6.15 4.93 -0.15 -1.96 2.57 0.84 -4.05 3.75 2 0 1000.00 -999 ? >PHE~B 1 20.79 13.91 -39.49 19.93 16.52 -39.01 20.36 15.22 -39.25 3 0 1000.00 -999 ? >ASP~B 2 19.83 7.47 -42.69 17.69 7.42 -42.57 18.76 7.45 -42.63 2 0 1000.00 -999 ? >ALA~B 3 24.17 8.51 -42.26 24.78 9.65 -43.12 24.48 9.08 -42.69 2 0 1000.00 -999 ? >SER~B 4 24.86 8.87 -38.52 22.87 9.30 -37.17 23.87 9.09 -37.84 2 0 1000.00 -999 ? >ASN~B 5 22.94 4.41 -38.71 21.15 5.14 -37.77 22.05 4.77 -38.24 2 0 1000.00 -999 ? >PHE~B 6 25.68 3.49 -42.08 23.24 2.10 -42.38 24.46 2.79 -42.23 3 0 1000.00 -999 ? >LYS~B 7 29.97 6.11 -38.21 29.42 11.55 -40.03 29.69 8.83 -39.12 2 0 1000.00 -999 ? >ASP~B 8 33.07 6.24 -34.47 34.12 5.27 -32.87 33.60 5.76 -33.67 2 0 1000.00 -999 ? >PHE~B 9 28.01 3.55 -30.32 26.49 3.71 -27.96 27.25 3.63 -29.14 3 0 1000.00 -999 ? >SER~B 10 31.01 6.63 -29.39 32.55 6.72 -27.51 31.78 6.68 -28.45 2 0 1000.00 -999 ? >SER~B 11 31.38 9.75 -31.53 31.39 9.15 -33.91 31.38 9.45 -32.72 2 0 1000.00 -999 ? >ILE~B 12 27.16 9.26 -33.75 27.09 8.44 -33.87 27.12 8.85 -33.81 3 0 1000.00 -999 ? >ALA~B 13 25.99 8.56 -29.23 26.53 7.39 -28.39 26.26 7.97 -28.81 2 0 1000.00 -999 ? >SER~B 14 26.79 11.90 -27.59 29.02 11.53 -26.79 27.90 11.72 -27.19 2 0 1000.00 -999 ? >ALA^B 15 27.24 15.54 -28.60 25.95 16.11 -29.17 26.60 15.83 -28.89 2 0 1000.00 -999 ? >SER^B 16 29.41 18.41 -27.38 31.42 19.16 -26.24 30.41 18.79 -26.81 2 0 1000.00 -999 ? >SER^B 17 28.43 21.63 -29.15 26.09 20.92 -29.35 27.26 21.28 -29.25 2 0 1000.00 -999 ? >SER^B 18 28.44 25.41 -28.92 30.73 25.50 -28.20 29.59 25.46 -28.56 2 0 1000.00 -999 ? >TRP^B 19 24.94 24.70 -28.71 23.08 23.47 -31.93 24.01 24.09 -30.32 3 0 1000.00 -999 ? >GLN^B 20 25.96 33.78 -30.66 26.93 34.85 -32.20 26.44 34.32 -31.43 2 0 1000.00 -999 ? >ASN^B 21 20.51 33.13 -28.74 20.79 34.50 -27.12 20.65 33.82 -27.93 2 0 1000.00 -999 ? >GLN.B 22 17.89 36.99 -31.05 17.45 35.44 -29.59 17.67 36.22 -30.32 2 0 1000.00 -999 ? >SER.B 23 21.34 38.50 -28.46 19.18 38.39 -27.35 20.26 38.45 -27.91 2 0 1000.00 -999 ? >GLY.B 24 24.89 37.24 -28.51 24.34 36.87 -28.02 24.62 37.06 -28.26 1 0 1000.00 -999 ? >SER.B 25 24.42 34.89 -25.60 22.80 35.92 -24.16 23.61 35.40 -24.88 2 0 1000.00 -999 ? >THR^B 26 26.30 31.59 -25.88 28.28 32.39 -26.21 27.29 31.99 -26.04 2 0 1000.00 -999 ? >MET^B 27 25.92 28.13 -24.48 22.09 26.59 -24.86 24.00 27.36 -24.67 2 0 1000.00 -999 ? >ILE^B 28 29.57 25.22 -23.95 31.01 25.33 -24.20 30.29 25.27 -24.08 3 0 1000.00 -999 ? >ILE^B 29 24.74 21.86 -24.59 23.58 22.37 -25.35 24.16 22.11 -24.97 3 0 1000.00 -999 ? >GLN^B 30 29.13 18.36 -22.63 29.12 20.19 -21.50 29.12 19.28 -22.07 2 0 1000.00 -999 ? >VAL^B 31 24.09 15.76 -24.66 22.47 16.29 -26.04 23.28 16.02 -25.35 3 0 1000.00 -999 ? >ASP.B 32 25.00 11.80 -22.03 23.34 11.45 -20.73 24.17 11.62 -21.38 2 0 1000.00 -999 ? >SER.B 33 23.27 8.93 -24.90 24.41 7.12 -23.80 23.84 8.02 -24.35 2 0 1000.00 -999 ? >PHE.B 34 21.76 7.29 -20.59 23.34 4.98 -20.42 22.55 6.14 -20.50 3 0 1000.00 -999 ? >GLY.B 35 19.03 12.18 -23.09 19.63 12.20 -22.56 19.33 12.19 -22.83 1 0 1000.00 -999 ? >ASN^B 36 21.52 13.78 -19.23 22.03 15.32 -17.82 21.77 14.55 -18.53 2 0 1000.00 -999 ? >VAL^B 37 21.88 17.80 -21.24 20.91 19.05 -22.73 21.39 18.43 -21.98 3 0 1000.00 -999 ? >SER^B 38 24.57 19.63 -19.22 26.39 18.08 -19.30 25.48 18.85 -19.26 2 0 1000.00 -999 ? >GLY^B 39 26.44 22.77 -20.05 26.13 22.89 -19.32 26.28 22.83 -19.69 1 0 1000.00 -999 ? >GLN^B 40 29.38 25.59 -18.16 28.86 25.89 -16.12 29.12 25.74 -17.14 2 0 1000.00 -999 ? >TYR^B 41 23.12 30.43 -21.00 21.53 32.06 -22.62 22.33 31.24 -21.81 3 0 1000.00 -999 ? >VAL^B 42 26.99 32.97 -20.88 29.17 33.35 -20.97 28.08 33.16 -20.92 3 0 1000.00 -999 ? >ASN.B 43 23.59 36.10 -19.80 22.33 37.76 -20.06 22.96 36.93 -19.93 2 0 1000.00 -999 ? >ARG.B 44 28.47 37.79 -24.97 29.66 35.00 -24.65 29.07 36.39 -24.81 2 0 1000.00 -999 ? >ALA.B 45 21.72 40.28 -23.51 20.44 39.66 -23.02 21.08 39.97 -23.27 2 0 1000.00 -999 ? >GLN.B 46 21.80 46.33 -24.92 21.19 47.14 -26.83 21.50 46.74 -25.87 2 0 1000.00 -999 ? >GLY.B 47 21.42 45.90 -20.40 21.50 45.11 -20.39 21.46 45.50 -20.40 1 0 1000.00 -999 ? >THR.B 48 20.83 42.76 -18.28 20.44 41.14 -19.70 20.63 41.95 -18.99 2 0 1000.00 -999 ? >GLY.B 49 22.55 41.63 -15.07 22.35 41.16 -15.76 22.45 41.40 -15.41 1 0 1000.00 -999 ? >CSS.B 50 24.65 38.48 -14.85 23.26 37.41 -12.64 23.95 37.94 -13.74 2 0 1000.00 -999 ? >GLN.B 51 25.18 40.82 -19.27 25.22 42.46 -20.64 25.20 41.64 -19.95 2 0 1000.00 -999 ? >ASN.B 52 30.79 38.85 -19.13 30.01 40.41 -20.33 30.40 39.63 -19.73 2 0 1000.00 -999 ? >SER.B 53 30.28 34.70 -16.60 29.07 35.27 -14.53 29.67 34.98 -15.57 2 0 1000.00 -999 ? >PRO^B 54 31.52 30.43 -16.41 29.64 31.66 -16.85 30.58 31.04 -16.63 3 0 1000.00 -999 ? >TYR^B 55 25.04 31.90 -14.83 25.51 34.34 -13.52 25.27 33.12 -14.18 3 0 1000.00 -999 ? >PRO^B 56 26.16 26.18 -12.92 25.46 26.70 -15.01 25.81 26.44 -13.97 3 0 1000.00 -999 ? >LEU^B 57 22.73 25.23 -18.91 22.07 24.62 -20.96 22.40 24.92 -19.93 3 0 1000.00 -999 ? >THR^B 58 20.83 21.38 -17.39 20.05 20.51 -15.64 20.44 20.94 -16.52 2 0 1000.00 -999 ? >GLY^B 59 18.18 19.91 -19.69 18.62 19.25 -19.41 18.40 19.58 -19.55 1 0 1000.00 -999 ? >ARG^B 60 16.43 14.69 -18.99 16.77 11.79 -20.14 16.60 13.24 -19.56 2 0 1000.00 -999 ? >VAL^B 61 16.30 15.90 -25.12 17.77 16.17 -26.68 17.03 16.03 -25.90 3 0 1000.00 -999 ? >ASN^B 62 12.31 13.71 -26.18 11.01 12.14 -26.90 11.66 12.93 -26.54 2 0 1000.00 -999 ? >GLY.B 63 14.27 13.34 -30.54 14.63 13.91 -29.99 14.45 13.63 -30.27 1 0 1000.00 -999 ? >THR.B 64 14.75 16.85 -31.96 13.81 16.92 -33.91 14.28 16.88 -32.93 2 0 1000.00 -999 ? >PHE^B 65 10.68 18.07 -29.80 9.03 18.28 -32.06 9.85 18.18 -30.93 3 0 1000.00 -999 ? >ILE^B 66 16.23 20.49 -26.58 17.38 21.38 -26.61 16.80 20.94 -26.59 3 0 1000.00 -999 ? >ALA^B 67 14.17 21.70 -22.79 12.92 21.27 -22.02 13.55 21.49 -22.41 2 0 1000.00 -999 ? >PHE^B 68 18.23 24.49 -22.49 18.37 26.51 -24.42 18.30 25.50 -23.45 3 0 1000.00 -999 ? >SER^B 69 17.19 25.42 -17.52 15.37 23.92 -16.77 16.28 24.67 -17.14 2 0 1000.00 -999 ? >VAL^B 70 19.51 28.03 -15.96 20.98 29.09 -17.29 20.25 28.56 -16.62 3 0 1000.00 -999 ? >GLY^B 71 19.42 29.45 -12.40 20.06 29.57 -13.01 19.74 29.51 -12.71 1 0 1000.00 -999 ? >TRP^B 72 18.38 33.60 -14.52 21.13 33.46 -17.38 19.76 33.53 -15.95 3 0 1000.00 -999 ? >ASN^B 73 23.03 32.22 -8.02 24.42 32.75 -6.45 23.72 32.48 -7.24 2 0 1000.00 -999 ? >ASN.B 74 27.59 31.19 -11.57 28.14 33.19 -12.07 27.87 32.19 -11.82 2 0 1000.00 -999 ? >SER.B 75 28.80 32.72 -7.03 30.75 31.23 -7.16 29.77 31.98 -7.09 2 0 1000.00 -999 ? >THR.B 76 30.21 35.41 -9.29 31.61 35.45 -10.98 30.91 35.43 -10.14 2 0 1000.00 -999 ? >GLU^B 77 26.00 39.32 -10.90 26.17 40.61 -12.57 26.09 39.96 -11.73 2 0 1000.00 -999 ? >ASN^B 78 23.32 36.13 -6.91 21.37 35.48 -6.27 22.35 35.81 -6.59 2 0 1000.00 -999 ? >CSS^B 79 20.40 37.79 -10.27 21.83 38.91 -12.37 21.11 38.35 -11.32 2 0 1000.00 -999 ? >ASN^B 80 17.42 36.94 -7.08 15.92 36.24 -5.74 16.67 36.59 -6.41 2 0 1000.00 -999 ? >SER^B 81 16.06 34.48 -11.18 16.08 36.81 -11.92 16.07 35.64 -11.55 2 0 1000.00 -999 ? >ALA^B 82 15.65 31.33 -13.35 15.08 30.16 -12.56 15.37 30.75 -12.96 2 0 1000.00 -999 ? >THR^B 83 15.00 30.75 -17.04 15.68 32.20 -18.47 15.34 31.48 -17.76 2 0 1000.00 -999 ? >GLY^B 84 13.56 27.75 -18.77 13.57 28.51 -19.23 13.56 28.13 -19.00 1 0 1000.00 -999 ? >TRP^B 85 15.98 29.73 -24.09 18.11 30.10 -20.82 17.04 29.92 -22.46 3 0 1000.00 -999 ? >THR^B 86 11.77 24.75 -24.55 10.11 23.90 -23.41 10.94 24.33 -23.98 2 0 1000.00 -999 ? >GLY^B 87 12.00 24.16 -28.33 12.30 23.46 -27.94 12.15 23.81 -28.14 1 0 1000.00 -999 ? >TYR^B 88 11.67 22.75 -32.71 10.57 24.88 -34.19 11.12 23.81 -33.45 3 0 1000.00 -999 ? >ALA^B 89 16.50 21.61 -33.38 17.58 20.57 -33.15 17.04 21.09 -33.27 2 0 1000.00 -999 ? >GLN^B 90 14.88 24.35 -37.25 13.18 25.42 -37.99 14.03 24.89 -37.62 2 0 1000.00 -999 ? >VAL^B 91 18.34 22.77 -40.11 19.65 21.24 -41.00 19.00 22.01 -40.55 3 0 1000.00 -999 ? >ASN.B 92 17.52 27.10 -41.65 15.45 26.94 -42.17 16.49 27.02 -41.91 2 0 1000.00 -999 ? >GLY.B 93 21.04 27.40 -44.63 21.07 26.71 -44.17 21.05 27.06 -44.40 1 0 1000.00 -999 ? >ASN.B 94 24.43 24.59 -45.03 25.41 22.74 -45.49 24.92 23.67 -45.26 2 0 1000.00 -999 ? >ASN^B 95 23.90 26.50 -39.83 25.21 26.63 -38.08 24.55 26.56 -38.95 2 0 1000.00 -999 ? >THR^B 96 21.66 23.57 -37.26 21.97 21.64 -36.40 21.82 22.60 -36.83 2 0 1000.00 -999 ? >GLU^B 97 17.74 26.88 -36.57 16.88 28.56 -37.61 17.31 27.72 -37.09 2 0 1000.00 -999 ? >ILE^B 98 18.22 25.15 -30.56 18.67 24.19 -29.54 18.45 24.67 -30.05 3 0 1000.00 -999 ? >VAL^B 99 14.30 27.45 -31.91 13.05 27.98 -33.67 13.67 27.72 -32.79 3 0 1000.00 -999 ? >THR^B 100 13.00 28.12 -28.39 14.96 28.25 -27.38 13.98 28.19 -27.88 2 0 1000.00 -999 ? >SER^B 101 10.44 29.91 -26.15 8.38 29.71 -27.36 9.41 29.81 -26.75 2 0 1000.00 -999 ? >TRP^B 102 13.87 33.13 -24.41 12.80 36.17 -22.13 13.34 34.65 -23.27 3 0 1000.00 -999 ? >ASN^B 103 9.13 31.02 -18.67 7.30 30.75 -19.75 8.22 30.89 -19.21 2 0 1000.00 -999 ? >LEU^B 104 12.77 35.28 -17.36 14.39 36.44 -16.48 13.58 35.86 -16.92 3 0 1000.00 -999 ? >ALA^B 105 10.92 33.88 -13.22 10.59 32.56 -12.48 10.75 33.22 -12.85 2 0 1000.00 -999 ? >TYR^B 106 11.79 38.67 -12.85 9.86 40.31 -14.02 10.83 39.49 -13.44 3 0 1000.00 -999 ? >GLU^B 107 11.63 39.73 -5.80 10.13 38.41 -5.09 10.88 39.07 -5.45 2 0 1000.00 -999 ? >GLY^B 108 9.51 42.17 -9.77 9.48 41.98 -8.95 9.50 42.08 -9.36 1 0 1000.00 -999 ? >GLY.B 109 8.14 45.32 -8.08 7.89 44.55 -8.06 8.01 44.94 -8.07 1 0 1000.00 -999 ? >SER.B 110 5.04 43.48 -6.75 3.33 44.74 -7.91 4.19 44.11 -7.33 2 0 1000.00 -999 ? >GLY^B 111 6.56 40.09 -5.96 6.68 40.37 -6.76 6.62 40.23 -6.36 1 0 1000.00 -999 ? >PRO^B 112 7.25 35.76 -6.11 7.30 37.51 -7.54 7.27 36.64 -6.83 3 0 1000.00 -999 ? >ALA^B 113 6.67 37.33 -11.80 6.64 38.78 -12.23 6.65 38.06 -12.01 2 0 1000.00 -999 ? >ILE^B 114 6.41 34.26 -15.39 7.14 33.24 -14.89 6.77 33.75 -15.14 3 0 1000.00 -999 ? >GLU^B 115 10.16 38.78 -19.55 9.32 40.68 -19.94 9.74 39.73 -19.74 2 0 1000.00 -999 ? >GLN^B 116 5.96 34.60 -21.01 4.20 33.65 -21.70 5.08 34.12 -21.35 2 0 1000.00 -999 ? >GLY^B 117 10.28 35.53 -24.89 10.11 34.75 -24.74 10.20 35.14 -24.81 1 0 1000.00 -999 ? >GLN^B 118 9.71 33.35 -29.07 8.52 34.81 -30.05 9.12 34.08 -29.56 2 0 1000.00 -999 ? >ASP^B 119 16.43 32.38 -27.40 16.84 33.89 -26.00 16.63 33.14 -26.70 2 0 1000.00 -999 ? >THR^B 120 16.99 31.05 -31.57 16.07 30.87 -33.54 16.53 30.96 -32.56 2 0 1000.00 -999 ? >PHE^B 121 20.35 29.07 -28.67 19.68 30.12 -26.15 20.02 29.59 -27.41 3 0 1000.00 -999 ? >GLN^B 122 22.31 31.02 -35.50 20.75 30.11 -36.63 21.53 30.57 -36.06 2 0 1000.00 -999 ? >TYR^B 123 26.58 24.07 -34.80 28.95 22.59 -34.63 27.77 23.33 -34.72 3 0 1000.00 -999 ? >VAL^B 124 28.98 27.48 -33.67 29.46 29.21 -32.39 29.22 28.35 -33.03 3 0 1000.00 -999 ? >PRO.B 125 31.16 26.45 -37.24 31.29 25.86 -35.08 31.22 26.15 -36.16 3 0 1000.00 -999 ? >THR.B 126 34.88 24.64 -33.00 35.30 22.90 -31.76 35.09 23.77 -32.38 2 0 1000.00 -999 ? >THR^B 127 38.06 26.59 -33.69 37.67 28.70 -33.35 37.87 27.65 -33.52 2 0 1000.00 -999 ? >GLU^B 128 40.72 21.72 -33.85 42.56 20.68 -33.55 41.64 21.20 -33.70 2 0 1000.00 -999 ? >ASN.B 129 44.74 26.30 -31.48 43.43 27.95 -31.68 44.08 27.12 -31.58 2 0 1000.00 -999 ? >LYS.B 130 47.99 23.45 -32.56 53.30 22.60 -32.65 50.65 23.03 -32.60 2 0 1000.00 -999 ? >SER.B 131 48.49 24.16 -28.84 50.64 25.23 -28.60 49.56 24.69 -28.72 2 0 1000.00 -999 ? >LEU.B 132 47.58 26.25 -24.52 46.19 26.94 -22.98 46.88 26.60 -23.75 3 0 1000.00 -999 ? >LEU.B 133 52.08 28.00 -26.52 52.65 27.87 -24.40 52.36 27.94 -25.46 3 0 1000.00 -999 ? >LYS.B 134 50.50 28.52 -30.84 52.62 27.23 -35.76 51.56 27.87 -33.30 2 0 1000.00 -999 ? >ASP.B 135 46.96 29.99 -33.88 45.80 31.23 -32.58 46.38 30.61 -33.23 2 0 1000.00 -999 ? >PHE.C 1 18.33 -4.03 -26.75 17.80 -6.32 -25.19 18.06 -5.18 -25.97 3 0 1000.00 -999 ? >ASP.C 2 18.54 -6.99 -31.89 17.69 -8.81 -32.56 18.12 -7.90 -32.22 2 0 1000.00 -999 ? >ALA.C 3 16.25 -8.25 -27.74 15.04 -7.76 -26.93 15.64 -8.00 -27.33 2 0 1000.00 -999 ? >SER.C 4 16.28 -11.60 -29.57 16.12 -11.12 -31.92 16.20 -11.36 -30.74 2 0 1000.00 -999 ? >ASN.C 5 20.29 -10.56 -31.27 21.80 -11.53 -32.39 21.05 -11.04 -31.83 2 0 1000.00 -999 ? >PHE.C 6 20.89 -9.39 -24.14 22.00 -8.56 -21.72 21.44 -8.98 -22.93 3 0 1000.00 -999 ? >LYS.C 7 24.88 -10.71 -26.08 24.60 -11.88 -31.06 24.74 -11.30 -28.57 2 0 1000.00 -999 ? >ASP~C 8 27.04 -9.35 -22.31 28.27 -7.83 -23.15 27.65 -8.59 -22.73 2 0 1000.00 -999 ? >PHE~C 9 23.58 -6.46 -18.54 21.55 -7.75 -17.18 22.57 -7.10 -17.86 3 0 1000.00 -999 ? >SER~C 10 26.77 -4.30 -23.34 28.13 -4.69 -25.33 27.45 -4.50 -24.34 2 0 1000.00 -999 ? >SER~C 11 23.92 -4.88 -25.89 24.14 -7.25 -26.43 24.03 -6.07 -26.16 2 0 1000.00 -999 ? >ILE~C 12 20.59 -3.20 -22.79 20.00 -4.19 -21.91 20.30 -3.70 -22.35 3 0 1000.00 -999 ? >ALA~C 13 24.44 -0.11 -22.71 25.92 -0.41 -22.70 25.18 -0.26 -22.71 2 0 1000.00 -999 ? >SER.C 14 24.07 3.59 -23.60 26.35 3.52 -24.32 25.21 3.55 -23.96 2 0 1000.00 -999 ? >ALA.C 15 20.26 3.69 -23.80 19.58 3.27 -25.13 19.92 3.48 -24.47 2 0 1000.00 -999 ? >SER^C 16 17.43 3.33 -21.31 17.15 5.48 -20.09 17.29 4.40 -20.70 2 0 1000.00 -999 ? >SER^C 17 15.53 0.05 -21.19 17.25 -1.56 -20.39 16.39 -0.75 -20.79 2 0 1000.00 -999 ? >SER^C 18 12.29 -0.99 -19.51 11.21 1.08 -20.09 11.75 0.04 -19.80 2 0 1000.00 -999 ? >TRP^C 19 14.75 -3.22 -17.85 16.12 -6.30 -19.93 15.43 -4.76 -18.89 3 0 1000.00 -999 ? >GLN^C 20 5.99 -5.95 -16.00 4.33 -5.94 -17.33 5.16 -5.94 -16.67 2 0 1000.00 -999 ? >ASN^C 21 9.45 -8.81 -12.33 8.51 -7.98 -10.59 8.98 -8.40 -11.46 2 0 1000.00 -999 ? >GLN.C 22 6.95 -13.40 -11.07 8.62 -12.29 -10.34 7.79 -12.85 -10.70 2 0 1000.00 -999 ? >SER.C 23 4.56 -9.47 -10.02 5.65 -10.28 -8.05 5.11 -9.88 -9.03 2 0 1000.00 -999 ? >GLY.C 24 3.85 -6.55 -12.34 4.56 -6.56 -11.90 4.21 -6.56 -12.12 1 0 1000.00 -999 ? >SER.C 25 6.68 -4.40 -10.89 6.91 -5.01 -8.65 6.79 -4.70 -9.77 2 0 1000.00 -999 ? >THR^C 26 8.67 -2.41 -13.41 7.03 -1.35 -14.41 7.85 -1.88 -13.91 2 0 1000.00 -999 ? >MET^C 27 12.05 -0.85 -13.73 15.08 -3.49 -12.74 13.57 -2.17 -13.23 2 0 1000.00 -999 ? >ILE^C 28 12.93 2.91 -16.51 12.18 3.72 -17.38 12.55 3.31 -16.94 3 0 1000.00 -999 ? >ILE^C 29 17.90 -0.04 -15.70 17.85 -1.48 -15.53 17.88 -0.76 -15.61 3 0 1000.00 -999 ? >GLN^C 30 19.56 5.36 -17.82 18.04 5.34 -16.29 18.80 5.35 -17.05 2 0 1000.00 -999 ? >VAL^C 31 23.58 0.86 -18.22 23.62 -1.37 -18.35 23.60 -0.25 -18.29 3 0 1000.00 -999 ? >ASP.C 32 27.05 4.25 -18.34 28.34 3.89 -16.69 27.69 4.07 -17.52 2 0 1000.00 -999 ? >SER.C 33 29.95 2.11 -20.80 29.98 3.84 -22.49 29.96 2.97 -21.64 2 0 1000.00 -999 ? >PHE.C 34 32.52 3.94 -17.62 33.33 5.99 -19.34 32.92 4.96 -18.48 3 0 1000.00 -999 ? >GLY.C 35 29.27 -1.04 -15.99 29.14 -0.26 -15.85 29.21 -0.65 -15.92 1 0 1000.00 -999 ? >ASN^C 36 27.50 2.80 -13.67 29.46 3.20 -12.96 28.48 3.00 -13.32 2 0 1000.00 -999 ? >VAL^C 37 23.49 0.81 -13.64 22.54 -1.19 -13.74 23.02 -0.19 -13.69 3 0 1000.00 -999 ? >SER^C 38 21.06 3.57 -12.66 22.63 5.39 -12.94 21.85 4.48 -12.80 2 0 1000.00 -999 ? >GLY^C 39 17.32 3.75 -12.82 17.51 3.96 -12.08 17.41 3.86 -12.45 1 0 1000.00 -999 ? >GLN^C 40 13.93 6.27 -11.48 14.30 7.11 -9.59 14.11 6.69 -10.53 2 0 1000.00 -999 ? >TYR^C 41 12.09 -1.35 -8.61 11.18 -4.01 -8.53 11.64 -2.68 -8.57 3 0 1000.00 -999 ? >VAL^C 42 8.10 0.89 -9.44 6.74 2.25 -10.46 7.42 1.57 -9.95 3 0 1000.00 -999 ? >ASN.C 43 7.27 -1.71 -5.55 6.47 -3.33 -4.43 6.87 -2.52 -4.99 2 0 1000.00 -999 ? >ARG.C 44 2.47 -1.96 -11.15 4.38 -0.11 -12.73 3.42 -1.04 -11.94 2 0 1000.00 -999 ? >ALA.C 45 4.07 -6.73 -5.72 5.42 -7.29 -5.23 4.74 -7.01 -5.48 2 0 1000.00 -999 ? >GLN.C 46 -0.96 -9.66 -3.60 -2.15 -11.04 -4.74 -1.56 -10.35 -4.17 2 0 1000.00 -999 ? >GLY.C 47 1.37 -7.93 -0.14 1.73 -7.36 -0.58 1.55 -7.65 -0.36 1 0 1000.00 -999 ? >THR.C 48 3.88 -5.08 -0.04 5.21 -5.61 -1.70 4.54 -5.35 -0.87 2 0 1000.00 -999 ? >GLY.C 49 3.85 -1.33 0.74 4.36 -1.72 0.21 4.11 -1.53 0.48 1 0 1000.00 -999 ? >CSS.C 50 5.62 1.39 -1.34 7.49 2.02 0.58 6.56 1.70 -0.38 2 0 1000.00 -999 ? >GLN.C 51 2.57 -1.56 -3.76 1.28 -3.17 -4.32 1.92 -2.36 -4.04 2 0 1000.00 -999 ? >ASN.C 52 1.56 2.96 -7.50 0.48 1.27 -8.26 1.02 2.11 -7.88 2 0 1000.00 -999 ? >SER.C 53 5.89 5.39 -7.09 6.26 5.73 -4.70 6.07 5.56 -5.90 2 0 1000.00 -999 ? >PRO^C 54 8.88 7.57 -9.52 8.74 5.66 -8.29 8.81 6.61 -8.90 3 0 1000.00 -999 ? >TYR^C 55 11.06 3.46 -4.25 8.94 3.95 -2.56 10.00 3.70 -3.40 3 0 1000.00 -999 ? >PRO^C 56 15.83 7.04 -5.75 15.33 5.14 -6.82 15.58 6.09 -6.28 3 0 1000.00 -999 ? >LEU^C 57 17.08 1.17 -9.26 17.60 -0.50 -10.65 17.34 0.34 -9.95 3 0 1000.00 -999 ? >THR^C 58 21.61 1.60 -8.62 23.11 2.48 -7.46 22.36 2.04 -8.04 2 0 1000.00 -999 ? >GLY^C 59 23.85 -1.29 -9.53 24.15 -0.66 -9.95 24.00 -0.98 -9.74 1 0 1000.00 -999 ? >ARG^C 60 29.11 -0.95 -10.55 31.30 -0.69 -12.64 30.21 -0.82 -11.60 2 0 1000.00 -999 ? >VAL^C 61 27.02 -5.20 -14.45 25.83 -4.27 -16.08 26.43 -4.74 -15.27 3 0 1000.00 -999 ? >ASN^C 62 30.56 -8.22 -14.45 32.36 -9.26 -14.98 31.46 -8.74 -14.72 2 0 1000.00 -999 ? >GLY.C 63 29.04 -9.43 -18.85 28.54 -9.02 -18.31 28.79 -9.23 -18.58 1 0 1000.00 -999 ? >THR.C 64 25.65 -11.11 -18.51 24.85 -13.09 -18.93 25.25 -12.10 -18.72 2 0 1000.00 -999 ? >PHE^C 65 26.95 -12.78 -14.39 27.19 -15.40 -15.32 27.07 -14.09 -14.86 3 0 1000.00 -999 ? >ILE^C 66 22.75 -7.36 -13.58 21.52 -6.76 -13.81 22.13 -7.06 -13.69 3 0 1000.00 -999 ? >ALA^C 67 23.44 -6.76 -9.21 24.57 -7.01 -8.21 24.01 -6.89 -8.71 2 0 1000.00 -999 ? >PHE^C 68 19.18 -4.17 -9.79 16.89 -5.70 -10.52 18.04 -4.94 -10.15 3 0 1000.00 -999 ? >SER^C 69 19.85 -2.20 -5.11 22.10 -2.61 -4.26 20.97 -2.41 -4.68 2 0 1000.00 -999 ? >VAL^C 70 16.77 -0.22 -4.02 14.89 -0.12 -5.20 15.83 -0.17 -4.61 3 0 1000.00 -999 ? >GLY^C 71 16.19 1.62 -0.71 15.67 1.68 -1.43 15.93 1.65 -1.07 1 0 1000.00 -999 ? >TRP^C 72 12.67 -1.60 0.04 11.14 -1.52 -3.62 11.90 -1.56 -1.79 3 0 1000.00 -999 ? >ASN.C 73 13.07 5.95 2.09 15.20 5.91 1.94 14.13 5.93 2.01 2 0 1000.00 -999 ? >ASN.C 74 11.01 7.55 -3.29 8.92 7.17 -3.06 9.97 7.36 -3.17 2 0 1000.00 -999 ? >SER.C 75 9.94 10.91 0.03 10.23 12.63 -1.69 10.09 11.77 -0.83 2 0 1000.00 -999 ? >THR.C 76 6.53 9.75 -1.20 5.56 9.66 -3.06 6.04 9.71 -2.13 2 0 1000.00 -999 ? >GLU^C 77 4.83 4.59 1.27 3.36 3.39 0.35 4.09 3.99 0.81 2 0 1000.00 -999 ? >ASN^C 78 9.59 6.08 4.38 11.28 5.30 5.45 10.44 5.69 4.91 2 0 1000.00 -999 ? >CSS^C 79 8.91 1.40 4.08 6.96 0.79 2.20 7.94 1.10 3.14 2 0 1000.00 -999 ? >ASN^C 80 11.63 1.56 7.56 13.16 1.51 9.00 12.40 1.53 8.28 2 0 1000.00 -999 ? >SER^C 81 13.72 -1.41 4.15 11.54 -2.54 4.59 12.63 -1.98 4.37 2 0 1000.00 -999 ? >ALA^C 82 16.16 -2.23 1.34 17.56 -1.82 1.70 16.86 -2.03 1.52 2 0 1000.00 -999 ? >THR^C 83 16.25 -4.84 -1.40 14.42 -5.73 -2.24 15.34 -5.28 -1.82 2 0 1000.00 -999 ? >GLY^C 84 19.22 -6.28 -3.30 18.47 -6.72 -3.31 18.84 -6.50 -3.31 1 0 1000.00 -999 ? >TRP^C 85 15.39 -8.27 -7.74 14.59 -4.76 -6.11 14.99 -6.52 -6.93 3 0 1000.00 -999 ? >THR^C 86 21.54 -10.38 -8.10 23.25 -10.68 -6.81 22.40 -10.53 -7.45 2 0 1000.00 -999 ? >GLY^C 87 21.17 -12.32 -11.30 21.74 -11.77 -11.48 21.46 -12.04 -11.39 1 0 1000.00 -999 ? >TYR^C 88 21.52 -15.22 -14.78 19.88 -17.39 -14.13 20.70 -16.31 -14.45 3 0 1000.00 -999 ? >ALA^C 89 20.40 -11.73 -18.36 20.78 -10.45 -19.06 20.59 -11.09 -18.71 2 0 1000.00 -999 ? >GLN^C 90 18.19 -15.92 -19.62 18.14 -17.81 -18.66 18.16 -16.86 -19.14 2 0 1000.00 -999 ? >VAL^C 91 17.56 -14.73 -24.21 17.95 -14.29 -26.33 17.76 -14.51 -25.27 3 0 1000.00 -999 ? >ASN^C 92 13.65 -16.54 -22.26 12.51 -18.30 -21.71 13.08 -17.42 -21.98 2 0 1000.00 -999 ? >GLY.C 93 12.41 -17.22 -26.88 13.08 -16.73 -26.70 12.74 -16.98 -26.79 1 0 1000.00 -999 ? >ASN.C 94 11.68 -13.76 -30.07 12.29 -14.90 -31.79 11.98 -14.33 -30.93 2 0 1000.00 -999 ? >ASN^C 95 11.73 -11.43 -25.09 11.60 -9.38 -24.41 11.66 -10.41 -24.75 2 0 1000.00 -999 ? >THR^C 96 15.67 -10.91 -23.17 17.47 -9.72 -23.48 16.57 -10.31 -23.32 2 0 1000.00 -999 ? >GLU^C 97 14.72 -14.14 -19.13 13.47 -15.82 -18.79 14.09 -14.98 -18.96 2 0 1000.00 -999 ? >ILE^C 98 17.07 -9.53 -15.83 17.85 -8.34 -15.68 17.46 -8.94 -15.75 3 0 1000.00 -999 ? >VAL^C 99 16.55 -13.81 -13.69 16.38 -15.95 -14.10 16.47 -14.88 -13.90 3 0 1000.00 -999 ? >THR^C 100 17.33 -12.63 -10.16 16.51 -10.57 -10.41 16.92 -11.60 -10.29 2 0 1000.00 -999 ? >SER^C 101 17.37 -13.69 -6.54 17.79 -15.24 -4.74 17.58 -14.46 -5.64 2 0 1000.00 -999 ? >TRP^C 102 13.36 -10.95 -5.46 11.56 -11.17 -1.96 12.46 -11.06 -3.71 3 0 1000.00 -999 ? >ASN^C 103 18.48 -10.31 0.19 19.32 -12.28 0.25 18.90 -11.29 0.22 2 0 1000.00 -999 ? >LEU^C 104 13.35 -7.91 1.40 11.89 -6.41 2.08 12.62 -7.16 1.74 3 0 1000.00 -999 ? >ALA^C 105 16.22 -6.41 4.78 17.60 -5.86 4.93 16.91 -6.13 4.86 2 0 1000.00 -999 ? >TYR^C 106 11.72 -6.75 6.59 10.81 -9.31 7.24 11.26 -8.03 6.91 3 0 1000.00 -999 ? >GLU^C 107 12.98 -2.38 11.52 14.27 -3.03 13.07 13.62 -2.70 12.29 2 0 1000.00 -999 ? >GLY.C 108 10.47 -7.85 11.39 10.64 -7.25 11.99 10.56 -7.55 11.69 1 0 1000.00 -999 ? >GLY.C 109 8.25 -8.67 14.35 9.08 -8.61 14.32 8.66 -8.64 14.33 1 0 1000.00 -999 ? >SER.C 110 11.23 -9.19 16.64 11.83 -11.50 16.17 11.53 -10.35 16.40 2 0 1000.00 -999 ? >GLY.C 111 14.17 -7.34 15.04 13.64 -7.65 14.41 13.91 -7.49 14.72 1 0 1000.00 -999 ? >PRO^C 112 17.72 -5.98 12.73 15.67 -6.80 12.33 16.69 -6.39 12.53 3 0 1000.00 -999 ? >ALA^C 113 15.31 -9.72 9.27 13.91 -10.31 9.56 14.61 -10.01 9.42 2 0 1000.00 -999 ? >ILE^C 114 17.47 -11.11 5.41 18.72 -10.79 5.01 18.09 -10.95 5.21 3 0 1000.00 -999 ? >GLU^C 115 10.97 -12.03 2.35 9.66 -13.41 3.26 10.31 -12.72 2.81 2 0 1000.00 -999 ? >GLN^C 116 15.15 -16.09 0.76 16.95 -17.07 1.36 16.05 -16.58 1.06 2 0 1000.00 -999 ? >GLY^C 117 12.65 -14.53 -3.29 13.44 -14.27 -3.45 13.05 -14.40 -3.37 1 0 1000.00 -999 ? >GLN^C 118 13.80 -16.19 -9.06 13.77 -18.13 -9.88 13.79 -17.16 -9.47 2 0 1000.00 -999 ? >ASP^C 119 12.16 -10.63 -9.44 10.93 -9.94 -7.88 11.55 -10.28 -8.66 2 0 1000.00 -999 ? >THR^C 120 12.31 -12.60 -13.41 12.49 -14.47 -14.39 12.40 -13.54 -13.90 2 0 1000.00 -999 ? >PHE^C 121 13.06 -7.82 -13.72 13.08 -7.02 -11.03 13.07 -7.42 -12.37 3 0 1000.00 -999 ? >GLN^C 122 9.24 -11.22 -18.96 10.58 -12.84 -19.41 9.91 -12.03 -19.19 2 0 1000.00 -999 ? >TYR^C 123 13.44 -5.68 -23.49 13.81 -3.44 -25.12 13.63 -4.56 -24.31 3 0 1000.00 -999 ? >VAL^C 124 9.43 -4.26 -22.49 7.86 -3.67 -21.08 8.64 -3.97 -21.79 3 0 1000.00 -999 ? >PRO.C 125 9.29 -4.66 -26.89 9.72 -3.01 -25.36 9.50 -3.84 -26.12 3 0 1000.00 -999 ? >THR.C 126 9.01 1.18 -26.08 9.76 3.06 -26.88 9.38 2.12 -26.48 2 0 1000.00 -999 ? >THR^C 127 5.74 2.33 -27.61 4.21 1.81 -26.22 4.98 2.07 -26.91 2 0 1000.00 -999 ? >GLU.C 128 8.32 5.82 -30.71 9.88 4.39 -30.55 9.10 5.10 -30.63 2 0 1000.00 -999 ? >ASN.C 129 2.48 8.75 -29.03 1.89 7.17 -27.75 2.18 7.96 -28.39 2 0 1000.00 -999 ? >LYS.C 130 3.26 11.20 -32.63 2.27 14.61 -36.68 2.77 12.91 -34.66 2 0 1000.00 -999 ? >SER.C 131 3.20 13.72 -29.78 1.23 15.10 -30.14 2.22 14.41 -29.96 2 0 1000.00 -999 ? >LEU.C 132 2.94 15.12 -25.10 3.19 14.98 -22.97 3.06 15.05 -24.04 3 0 1000.00 -999 ? >LEU.C 133 -1.14 16.98 -27.84 -0.77 18.69 -26.50 -0.96 17.84 -27.17 3 0 1000.00 -999 ? >LYS.C 134 -1.92 12.81 -29.96 -2.49 13.14 -35.49 -2.21 12.97 -32.73 2 0 1000.00 -999 ? >ASP.C 135 -1.80 7.97 -30.24 -2.28 8.09 -28.16 -2.04 8.03 -29.20 2 0 1000.00 -999 ? >PHE~D 1 22.78 7.21 16.67 23.73 4.58 16.37 23.26 5.89 16.52 3 0 1000.00 -999 ? >ASP~D 2 18.30 11.99 19.71 16.43 10.94 19.61 17.36 11.47 19.66 2 0 1000.00 -999 ? >ALA~D 3 22.48 13.54 19.06 23.72 12.96 19.82 23.10 13.25 19.44 2 0 1000.00 -999 ? >SER~D 4 23.03 13.63 15.29 21.60 12.07 14.09 22.31 12.85 14.69 2 0 1000.00 -999 ? >ASN~D 5 18.92 16.22 15.63 17.86 14.63 14.72 18.39 15.42 15.17 2 0 1000.00 -999 ? >PHE~D 6 20.77 18.51 19.04 17.99 18.24 19.36 19.38 18.38 19.20 3 0 1000.00 -999 ? >LYS~D 7 25.75 18.81 15.09 28.33 13.97 16.90 27.04 16.39 15.99 2 0 1000.00 -999 ? >ASP~D 8 28.49 20.33 11.41 28.99 21.67 9.84 28.74 21.00 10.63 2 0 1000.00 -999 ? >PHE~D 9 22.93 19.89 7.10 21.72 18.74 4.90 22.32 19.32 6.00 3 0 1000.00 -999 ? >SER~D 10 27.17 19.01 6.27 27.40 21.20 5.29 27.28 20.11 5.78 2 0 1000.00 -999 ? >SER~D 11 29.24 16.58 8.42 30.60 18.16 9.64 29.92 17.37 9.03 2 0 1000.00 -999 ? >ILE~D 12 25.50 14.95 10.81 25.26 14.37 11.31 25.38 14.66 11.06 3 0 1000.00 -999 ? >ALA~D 13 24.18 14.23 6.40 23.52 15.42 5.73 23.85 14.82 6.07 2 0 1000.00 -999 ? >SER.D 14 26.90 12.33 4.51 28.63 13.85 3.90 27.77 13.09 4.21 2 0 1000.00 -999 ? >ALA^D 15 29.33 9.57 5.44 28.65 8.38 6.03 28.99 8.98 5.73 2 0 1000.00 -999 ? >SER^D 16 32.66 8.41 4.19 34.75 8.96 3.20 33.71 8.69 3.70 2 0 1000.00 -999 ? >SER^D 17 33.75 5.26 5.93 31.43 4.51 6.17 32.59 4.88 6.05 2 0 1000.00 -999 ? >SER^D 18 35.88 2.13 5.68 37.87 3.19 4.85 36.87 2.66 5.26 2 0 1000.00 -999 ? >TRP^D 19 32.53 0.72 5.51 30.36 0.73 8.83 31.45 0.72 7.17 3 0 1000.00 -999 ? >GLN^D 20 38.55 -6.06 7.34 40.41 -5.98 8.39 39.48 -6.02 7.87 2 0 1000.00 -999 ? >ASN^D 21 33.64 -8.64 5.66 34.61 -9.60 4.05 34.13 -9.12 4.85 2 0 1000.00 -999 ? >GLN.D 22 33.52 -13.31 8.20 32.41 -12.38 6.63 32.97 -12.85 7.41 2 0 1000.00 -999 ? >SER.D 23 37.17 -12.84 5.48 35.35 -12.90 3.86 36.26 -12.87 4.67 2 0 1000.00 -999 ? >GLY.D 24 39.47 -9.82 5.32 38.83 -9.78 4.85 39.15 -9.80 5.08 1 0 1000.00 -999 ? >SER.D 25 37.91 -7.92 2.37 37.06 -9.64 0.92 37.49 -8.78 1.65 2 0 1000.00 -999 ? >THR^D 26 37.58 -4.16 2.76 39.70 -3.65 3.00 38.64 -3.91 2.88 2 0 1000.00 -999 ? >MET^D 27 35.22 -1.59 1.31 31.20 -2.46 1.84 33.21 -2.03 1.57 2 0 1000.00 -999 ? >ILE^D 28 36.55 2.89 0.75 37.76 3.59 0.83 37.16 3.24 0.79 3 0 1000.00 -999 ? >ILE^D 29 30.69 2.92 1.41 30.03 1.96 2.27 30.36 2.44 1.84 3 0 1000.00 -999 ? >GLN^D 30 32.43 8.23 -0.62 33.47 6.71 -1.67 32.95 7.47 -1.15 2 0 1000.00 -999 ? >VAL^D 31 26.80 7.68 1.59 25.81 6.33 2.98 26.30 7.01 2.28 3 0 1000.00 -999 ? >ASP.D 32 25.27 11.48 -0.98 23.72 10.85 -2.34 24.50 11.17 -1.66 2 0 1000.00 -999 ? >SER.D 33 22.22 12.85 1.90 22.17 15.02 0.81 22.19 13.93 1.36 2 0 1000.00 -999 ? >PHE.D 34 19.94 13.41 -2.38 19.83 16.18 -2.82 19.88 14.80 -2.60 3 0 1000.00 -999 ? >GLY.D 35 20.65 7.82 0.19 21.08 8.12 -0.42 20.86 7.97 -0.11 1 0 1000.00 -999 ? >ASN^D 36 23.45 7.93 -3.81 21.81 8.65 -5.01 22.63 8.29 -4.41 2 0 1000.00 -999 ? >VAL^D 37 26.07 4.80 -1.89 26.00 3.21 -0.30 26.04 4.01 -1.10 3 0 1000.00 -999 ? >SER^D 38 29.26 4.74 -3.93 30.07 7.09 -3.87 29.66 5.92 -3.90 2 0 1000.00 -999 ? >GLY^D 39 32.57 3.11 -3.09 32.41 2.90 -3.85 32.49 3.00 -3.47 1 0 1000.00 -999 ? >GLN^D 40 36.61 2.41 -5.13 36.29 1.83 -7.13 36.45 2.12 -6.13 2 0 1000.00 -999 ? >TYR^D 41 34.22 -5.09 -2.16 33.82 -7.33 -0.53 34.02 -6.21 -1.35 3 0 1000.00 -999 ? >VAL^D 42 38.87 -4.91 -2.34 40.88 -4.02 -2.18 39.88 -4.47 -2.26 3 0 1000.00 -999 ? >ASN.D 43 37.76 -9.41 -3.35 37.62 -11.51 -3.09 37.69 -10.46 -3.22 2 0 1000.00 -999 ? >ARG.D 44 42.98 -8.08 1.67 42.25 -5.11 1.45 42.61 -6.60 1.56 2 0 1000.00 -999 ? >ALA.D 45 38.62 -13.88 0.52 37.15 -14.09 0.08 37.89 -13.99 0.30 2 0 1000.00 -999 ? >GLN.D 46 42.10 -18.94 1.69 44.11 -18.28 1.31 43.11 -18.61 1.50 2 0 1000.00 -999 ? >GLY.D 47 41.04 -18.88 -2.61 40.77 -18.15 -2.64 40.90 -18.52 -2.63 1 0 1000.00 -999 ? >THR.D 48 38.95 -16.49 -4.70 37.77 -15.34 -3.30 38.36 -15.91 -4.00 2 0 1000.00 -999 ? >GLY.D 49 39.73 -14.65 -7.91 39.32 -14.35 -7.24 39.52 -14.50 -7.57 1 0 1000.00 -999 ? >CSS.D 50 39.75 -10.86 -8.32 37.92 -10.82 -10.52 38.84 -10.84 -9.42 2 0 1000.00 -999 ? >GLN.D 51 41.59 -12.40 -3.91 42.63 -13.75 -2.65 42.11 -13.08 -3.28 2 0 1000.00 -999 ? >ASN.D 52 45.19 -7.77 -4.26 45.38 -9.41 -2.94 45.28 -8.59 -3.60 2 0 1000.00 -999 ? >SER.D 53 42.42 -4.64 -6.76 41.67 -5.81 -8.81 42.05 -5.23 -7.78 2 0 1000.00 -999 ? >PRO^D 54 41.06 -0.45 -7.02 40.22 -2.46 -6.40 40.64 -1.46 -6.71 3 0 1000.00 -999 ? >TYR^D 55 36.43 -5.30 -8.37 38.20 -7.10 -9.61 37.32 -6.20 -8.99 3 0 1000.00 -999 ? >PRO^D 56 34.18 0.10 -10.23 33.96 -0.69 -8.19 34.07 -0.29 -9.21 3 0 1000.00 -999 ? >LEU^D 57 31.09 -0.81 -4.14 30.15 -0.64 -2.14 30.62 -0.72 -3.14 3 0 1000.00 -999 ? >THR^D 58 27.12 1.14 -5.73 26.71 1.00 -7.81 26.92 1.07 -6.77 2 0 1000.00 -999 ? >GLY^D 59 24.13 0.96 -3.36 24.17 1.74 -3.61 24.15 1.35 -3.48 1 0 1000.00 -999 ? >ARG^D 60 19.85 4.16 -4.06 18.69 6.83 -3.14 19.27 5.50 -3.60 2 0 1000.00 -999 ? >VAL^D 61 20.44 3.20 2.09 22.01 4.51 2.99 21.22 3.86 2.54 3 0 1000.00 -999 ? >ASN^D 62 16.00 2.83 3.23 14.08 3.42 3.98 15.04 3.12 3.61 2 0 1000.00 -999 ? >GLY.D 63 17.49 4.26 7.62 18.04 3.96 7.04 17.76 4.11 7.33 1 0 1000.00 -999 ? >THR.D 64 19.80 1.59 9.00 18.99 1.04 10.91 19.40 1.31 9.95 2 0 1000.00 -999 ? >PHE^D 65 16.96 -1.68 6.75 15.62 -2.70 9.00 16.29 -2.19 7.88 3 0 1000.00 -999 ? >ILE^D 66 22.98 -0.67 3.53 24.42 -0.77 3.57 23.70 -0.72 3.55 3 0 1000.00 -999 ? >ALA^D 67 21.84 -2.81 -0.21 20.60 -3.13 -1.05 21.22 -2.97 -0.63 2 0 1000.00 -999 ? >PHE^D 68 26.87 -2.84 -0.59 28.19 -4.45 1.31 27.53 -3.64 0.36 3 0 1000.00 -999 ? >SER^D 69 26.37 -4.23 -5.52 24.04 -4.00 -6.16 25.20 -4.11 -5.84 2 0 1000.00 -999 ? >VAL^D 70 29.72 -5.12 -7.14 31.55 -5.19 -5.88 30.63 -5.16 -6.51 3 0 1000.00 -999 ? >GLY^D 71 30.49 -6.30 -10.68 31.07 -6.09 -10.06 30.78 -6.20 -10.37 1 0 1000.00 -999 ? >TRP^D 72 31.83 -10.30 -8.56 34.12 -8.72 -5.78 32.98 -9.51 -7.17 3 0 1000.00 -999 ? >ASN^D 73 34.81 -6.85 -15.14 36.29 -6.69 -16.61 35.55 -6.77 -15.87 2 0 1000.00 -999 ? >ASN.D 74 38.09 -3.33 -11.76 39.69 -4.67 -11.33 38.89 -4.00 -11.54 2 0 1000.00 -999 ? >SER.D 75 39.69 -3.87 -16.29 40.70 -1.66 -16.13 40.20 -2.76 -16.21 2 0 1000.00 -999 ? >THR.D 76 42.49 -5.33 -14.14 43.60 -4.56 -12.40 43.04 -4.94 -13.27 2 0 1000.00 -999 ? >GLU.D 77 41.29 -10.90 -12.28 42.21 -11.79 -10.56 41.75 -11.34 -11.42 2 0 1000.00 -999 ? >ASN^D 78 37.33 -9.96 -16.35 35.32 -10.33 -16.99 36.33 -10.15 -16.67 2 0 1000.00 -999 ? >CSS^D 79 35.80 -12.83 -12.84 37.58 -12.87 -10.69 36.69 -12.85 -11.77 2 0 1000.00 -999 ? >ASN^D 80 32.88 -13.76 -15.90 31.31 -14.08 -17.28 32.09 -13.92 -16.59 2 0 1000.00 -999 ? >SER^D 81 30.24 -12.35 -11.96 31.45 -14.34 -11.18 30.84 -13.35 -11.57 2 0 1000.00 -999 ? >ALA^D 82 28.29 -9.99 -9.70 27.18 -9.27 -10.47 27.74 -9.63 -10.09 2 0 1000.00 -999 ? >THR^D 83 27.56 -9.87 -5.98 28.95 -10.72 -4.52 28.25 -10.29 -5.25 2 0 1000.00 -999 ? >GLY^D 84 24.67 -8.16 -4.24 25.10 -8.79 -3.77 24.89 -8.48 -4.00 1 0 1000.00 -999 ? >TRP^D 85 27.90 -8.41 1.08 29.91 -7.63 -2.21 28.90 -8.02 -0.57 3 0 1000.00 -999 ? >THR^D 86 21.66 -6.66 1.61 19.78 -6.85 0.59 20.72 -6.76 1.10 2 0 1000.00 -999 ? >GLY^D 87 21.61 -5.95 5.36 21.42 -5.23 5.00 21.51 -5.59 5.18 1 0 1000.00 -999 ? >TYR^D 88 20.52 -5.07 9.64 20.74 -7.60 10.81 20.63 -6.34 10.23 3 0 1000.00 -999 ? >ALA^D 89 23.94 -1.34 10.32 24.27 0.14 10.11 24.11 -0.60 10.22 2 0 1000.00 -999 ? >GLN^D 90 24.13 -4.68 14.31 23.08 -6.39 15.09 23.61 -5.53 14.70 2 0 1000.00 -999 ? >VAL^D 91 26.06 -1.50 17.04 26.25 0.52 17.97 26.16 -0.49 17.50 3 0 1000.00 -999 ? >ASN.D 92 28.29 -5.53 18.25 26.59 -6.79 17.83 27.44 -6.16 18.04 2 0 1000.00 -999 ? >GLY.D 93 30.54 -3.35 21.67 30.22 -2.86 21.11 30.38 -3.10 21.39 1 0 1000.00 -999 ? >ASN.D 94 31.49 1.23 22.03 33.52 0.65 22.47 32.51 0.94 22.25 2 0 1000.00 -999 ? >ASN^D 95 32.85 -1.23 16.83 33.87 -0.56 15.05 33.36 -0.89 15.94 2 0 1000.00 -999 ? >THR^D 96 29.28 -0.21 14.26 28.41 1.55 13.28 28.84 0.67 13.77 2 0 1000.00 -999 ? >GLU^D 97 27.82 -5.19 13.31 28.18 -6.99 14.47 28.00 -6.09 13.89 2 0 1000.00 -999 ? >ILE^D 98 27.26 -3.35 7.53 27.08 -2.32 6.51 27.17 -2.83 7.02 3 0 1000.00 -999 ? >VAL^D 99 25.31 -7.47 8.89 24.62 -8.58 10.65 24.96 -8.03 9.77 3 0 1000.00 -999 ? >THR^D 100 24.60 -8.76 5.37 26.26 -7.82 4.32 25.43 -8.29 4.85 2 0 1000.00 -999 ? >SER^D 101 23.39 -11.66 3.27 21.62 -12.74 4.49 22.51 -12.20 3.88 2 0 1000.00 -999 ? >TRP^D 102 28.14 -12.17 1.35 28.95 -15.25 -0.99 28.55 -13.71 0.18 3 0 1000.00 -999 ? >ASN^D 103 22.80 -13.26 -4.22 21.13 -14.12 -3.20 21.96 -13.69 -3.71 2 0 1000.00 -999 ? >LEU^D 104 28.14 -14.85 -5.71 30.09 -14.88 -6.67 29.12 -14.87 -6.19 3 0 1000.00 -999 ? >ALA^D 105 25.71 -14.70 -9.77 24.74 -13.77 -10.44 25.23 -14.23 -10.10 2 0 1000.00 -999 ? >TYR^D 106 28.93 -18.31 -10.26 28.17 -20.76 -9.16 28.55 -19.54 -9.71 3 0 1000.00 -999 ? >GLU^D 107 29.03 -19.57 -17.17 27.16 -19.00 -17.97 28.09 -19.28 -17.57 2 0 1000.00 -999 ? >GLY.D 108 28.02 -22.44 -13.27 28.02 -22.25 -14.11 28.02 -22.35 -13.69 1 0 1000.00 -999 ? >GLY.D 109 28.48 -25.76 -15.09 27.88 -25.28 -15.17 28.18 -25.52 -15.13 1 0 1000.00 -999 ? >SER.D 110 25.17 -25.96 -16.98 23.87 -26.53 -15.02 24.52 -26.24 -16.00 2 0 1000.00 -999 ? >GLY.D 111 24.57 -22.20 -17.06 24.88 -22.42 -16.31 24.73 -22.31 -16.68 1 0 1000.00 -999 ? >PRO^D 112 23.49 -18.00 -16.73 24.26 -19.60 -15.37 23.87 -18.80 -16.05 3 0 1000.00 -999 ? >ALA^D 113 23.85 -19.90 -11.11 24.74 -21.01 -10.70 24.30 -20.45 -10.91 2 0 1000.00 -999 ? >ILE^D 114 22.17 -16.90 -7.94 21.38 -15.79 -8.22 21.78 -16.34 -8.08 3 0 1000.00 -999 ? >GLU^D 115 27.41 -19.58 -3.44 29.48 -19.81 -3.39 28.44 -19.69 -3.42 2 0 1000.00 -999 ? >GLN^D 116 21.80 -18.19 -1.28 20.50 -19.59 -0.35 21.15 -18.89 -0.81 2 0 1000.00 -999 ? >GLY^D 117 26.53 -16.30 1.51 25.85 -15.80 1.48 26.19 -16.05 1.49 1 0 1000.00 -999 ? >GLN^D 118 24.79 -15.16 5.55 23.89 -16.09 7.23 24.34 -15.63 6.39 2 0 1000.00 -999 ? >ASP^D 119 29.91 -10.36 4.37 31.04 -11.41 2.94 30.47 -10.89 3.65 2 0 1000.00 -999 ? >THR^D 120 29.56 -8.94 8.51 28.67 -9.27 10.42 29.12 -9.11 9.46 2 0 1000.00 -999 ? >PHE^D 121 31.24 -5.46 5.55 31.20 -6.64 3.05 31.22 -6.05 4.30 3 0 1000.00 -999 ? >GLN^D 122 34.03 -5.92 12.46 32.26 -6.06 13.59 33.14 -5.99 13.02 2 0 1000.00 -999 ? >TYR^D 123 33.68 2.23 11.68 34.71 4.80 11.54 34.19 3.51 11.61 3 0 1000.00 -999 ? >VAL^D 124 37.61 0.70 10.50 38.98 -0.49 9.27 38.30 0.11 9.88 3 0 1000.00 -999 ? >PRO.D 125 38.55 3.19 14.03 38.49 3.42 11.75 38.52 3.31 12.89 3 0 1000.00 -999 ? >THR.D 126 40.85 6.25 9.60 40.28 7.81 8.22 40.57 7.03 8.91 2 0 1000.00 -999 ? >THR^D 127 44.64 6.35 10.08 46.09 4.76 10.03 45.36 5.56 10.05 2 0 1000.00 -999 ? >GLU^D 128 43.78 10.85 11.03 42.91 12.49 9.99 43.34 11.67 10.51 2 0 1000.00 -999 ? >ASN.D 129 50.11 10.14 7.76 49.81 8.05 7.89 49.96 9.10 7.82 2 0 1000.00 -999 ? >LYS.D 130 51.21 14.32 8.82 53.81 18.75 9.99 52.51 16.53 9.40 2 0 1000.00 -999 ? >SER.D 131 51.89 13.93 5.08 54.28 14.20 4.77 53.09 14.07 4.93 2 0 1000.00 -999 ? >LEU.D 132 52.11 11.86 0.74 51.82 10.18 -0.73 51.96 11.02 0.00 3 0 1000.00 -999 ? >LEU.D 133 56.99 12.33 2.19 57.29 14.43 2.00 57.14 13.38 2.10 3 0 1000.00 -999 ? >LYS.D 134 55.96 11.41 6.83 58.91 15.17 10.88 57.44 13.29 8.85 2 0 1000.00 -999 ? >ASP.D 135 54.04 8.52 10.20 53.43 6.92 8.91 53.73 7.72 9.56 2 0 1000.00 -999 ? >PHE.E 6 39.70 29.11 4.04 40.13 27.13 2.13 39.91 28.12 3.08 3 0 1000.00 -999 ? >LYS.E 7 39.93 26.59 8.13 39.61 21.73 11.37 39.77 24.16 9.75 2 0 1000.00 -999 ? >ASP~E 8 41.10 23.09 5.55 39.57 21.86 6.39 40.33 22.48 5.97 2 0 1000.00 -999 ? >PHE~E 9 40.17 23.38 -0.10 41.88 24.92 -1.70 41.03 24.15 -0.90 3 0 1000.00 -999 ? >SER~E 10 35.75 22.06 4.00 36.30 22.14 6.35 36.03 22.10 5.17 2 0 1000.00 -999 ? >SER~E 11 34.99 25.76 4.71 36.67 26.37 6.36 35.83 26.07 5.53 2 0 1000.00 -999 ? >ILE~E 12 34.96 26.97 0.11 36.22 27.40 -0.38 35.59 27.19 -0.13 3 0 1000.00 -999 ? >ALA~E 13 32.29 22.85 0.73 32.62 21.60 1.55 32.46 22.23 1.14 2 0 1000.00 -999 ? >SER.E 14 28.61 22.58 -0.33 28.23 20.91 1.34 28.42 21.75 0.51 2 0 1000.00 -999 ? >ALA^E 15 28.85 25.88 -2.19 29.13 27.00 -1.18 28.99 26.44 -1.69 2 0 1000.00 -999 ? >SER^E 16 30.24 27.39 -5.37 28.74 26.77 -7.21 29.49 27.08 -6.29 2 0 1000.00 -999 ? >SER^E 17 33.11 29.90 -5.04 34.83 28.53 -3.97 33.97 29.22 -4.51 2 0 1000.00 -999 ? >SER^E 18 34.82 32.21 -7.56 32.70 32.93 -8.52 33.76 32.57 -8.04 2 0 1000.00 -999 ? >TRP^E 19 37.51 29.97 -6.45 39.31 30.63 -2.98 38.41 30.30 -4.72 3 0 1000.00 -999 ? >GLN^E 20 41.01 37.31 -11.26 40.13 39.26 -11.56 40.57 38.29 -11.41 2 0 1000.00 -999 ? >ASN^E 21 45.23 33.30 -11.21 45.36 33.24 -13.35 45.30 33.27 -12.28 2 0 1000.00 -999 ? >GLN.E 22 49.68 36.02 -11.45 49.15 33.94 -11.55 49.42 34.98 -11.50 2 0 1000.00 -999 ? >SER.E 23 46.89 37.09 -14.87 47.92 34.93 -15.46 47.40 36.01 -15.16 2 0 1000.00 -999 ? >GLY.E 24 43.10 37.63 -14.76 43.35 36.90 -14.79 43.22 37.26 -14.77 1 0 1000.00 -999 ? >SER.E 25 41.98 34.04 -15.43 43.60 33.05 -16.91 42.79 33.55 -16.17 2 0 1000.00 -999 ? >THR^E 26 38.94 33.06 -13.41 37.65 34.64 -14.14 38.30 33.85 -13.77 2 0 1000.00 -999 ? >MET^E 27 37.47 29.84 -12.08 40.27 27.50 -10.12 38.87 28.67 -11.10 2 0 1000.00 -999 ? >ILE^E 28 32.84 29.33 -11.11 31.69 30.17 -11.23 32.27 29.75 -11.17 3 0 1000.00 -999 ? >ILE^E 29 35.84 25.45 -7.81 37.17 25.82 -7.30 36.51 25.63 -7.56 3 0 1000.00 -999 ? >GLN^E 30 29.98 23.65 -7.92 30.76 24.37 -9.82 30.37 24.01 -8.87 2 0 1000.00 -999 ? >VAL^E 31 33.60 21.46 -3.58 35.48 21.97 -2.52 34.54 21.71 -3.05 3 0 1000.00 -999 ? >ASP.E 32 30.79 17.57 -3.16 31.94 15.81 -3.54 31.37 16.69 -3.35 2 0 1000.00 -999 ? >SER.E 33 31.49 16.69 1.08 29.26 17.21 1.88 30.37 16.95 1.48 2 0 1000.00 -999 ? >PHE.E 34 31.48 12.44 -0.72 29.02 11.63 0.35 30.25 12.04 -0.19 3 0 1000.00 -999 ? >GLY.E 35 36.49 16.04 -1.46 35.90 15.89 -1.98 36.19 15.96 -1.72 1 0 1000.00 -999 ? >ASN^E 36 34.24 15.69 -5.79 34.21 13.58 -5.49 34.23 14.64 -5.64 2 0 1000.00 -999 ? >VAL^E 37 36.09 19.56 -7.01 37.73 20.95 -6.54 36.91 20.25 -6.78 3 0 1000.00 -999 ? >SER^E 38 34.03 20.46 -10.10 31.70 20.59 -9.49 32.87 20.53 -9.79 2 0 1000.00 -999 ? >GLY^E 39 34.06 23.76 -11.93 34.16 23.22 -12.51 34.11 23.49 -12.22 1 0 1000.00 -999 ? >GLN^E 40 32.26 25.56 -15.75 32.52 24.14 -17.32 32.39 24.85 -16.53 2 0 1000.00 -999 ? >TYR^E 41 40.43 27.69 -15.65 42.83 29.04 -15.21 41.63 28.37 -15.43 3 0 1000.00 -999 ? >VAL^E 42 38.08 30.90 -18.02 36.41 32.21 -18.51 37.25 31.56 -18.26 3 0 1000.00 -999 ? >ASN.E 43 42.22 30.47 -20.31 44.10 31.05 -21.12 43.16 30.76 -20.72 2 0 1000.00 -999 ? >ARG.E 44 39.77 37.20 -18.60 37.39 35.87 -17.24 38.58 36.53 -17.92 2 0 1000.00 -999 ? >ALA.E 45 46.54 34.60 -20.02 47.24 33.31 -19.69 46.89 33.95 -19.86 2 0 1000.00 -999 ? >GLN.E 46 48.35 39.33 -21.95 49.56 41.10 -22.05 48.95 40.21 -22.00 2 0 1000.00 -999 ? >GLY.E 47 49.15 35.34 -25.98 48.61 34.99 -25.53 48.88 35.16 -25.75 1 0 1000.00 -999 ? >THR.E 48 47.32 32.05 -25.37 47.21 31.81 -23.20 47.26 31.93 -24.29 2 0 1000.00 -999 ? >GLY.E 49 44.54 30.31 -27.32 44.69 30.33 -26.46 44.61 30.32 -26.89 1 0 1000.00 -999 ? >CSS.E 50 41.33 29.10 -25.56 41.76 26.48 -26.37 41.54 27.79 -25.97 2 0 1000.00 -999 ? >GLN.E 51 42.81 33.66 -24.02 43.84 35.50 -24.19 43.32 34.58 -24.11 2 0 1000.00 -999 ? >ASN.E 52 37.04 35.16 -23.62 38.72 36.47 -23.57 37.88 35.82 -23.59 2 0 1000.00 -999 ? >SER.E 53 35.13 30.68 -22.83 36.08 29.17 -24.57 35.61 29.92 -23.70 2 0 1000.00 -999 ? >PRO^E 54 32.16 28.38 -20.43 34.41 28.66 -20.59 33.29 28.52 -20.51 3 0 1000.00 -999 ? >TYR^E 55 38.30 25.44 -21.50 38.58 26.38 -24.14 38.44 25.91 -22.82 3 0 1000.00 -999 ? >PRO^E 56 34.44 21.12 -19.39 35.62 22.52 -18.04 35.03 21.82 -18.72 3 0 1000.00 -999 ? >LEU^E 57 38.29 22.90 -13.79 38.62 23.64 -11.79 38.45 23.27 -12.79 3 0 1000.00 -999 ? >THR^E 58 37.89 18.74 -12.09 37.76 16.67 -12.73 37.82 17.70 -12.41 2 0 1000.00 -999 ? >GLY^E 59 39.90 18.02 -8.92 39.15 17.73 -8.74 39.53 17.87 -8.83 1 0 1000.00 -999 ? >ARG^E 60 39.03 13.85 -5.84 37.67 12.63 -3.35 38.35 13.24 -4.60 2 0 1000.00 -999 ? >VAL^E 61 40.83 18.50 -2.00 39.18 20.00 -1.92 40.01 19.25 -1.96 3 0 1000.00 -999 ? >ASN^E 62 43.35 15.97 0.89 43.87 14.77 2.58 43.61 15.37 1.73 2 0 1000.00 -999 ? >GLY.E 63 42.54 19.51 4.12 42.38 19.68 3.29 42.46 19.59 3.71 1 0 1000.00 -999 ? >THR.E 64 44.11 22.75 2.82 45.31 23.93 4.18 44.71 23.34 3.50 2 0 1000.00 -999 ? >PHE^E 65 47.55 20.10 1.02 49.43 20.89 2.87 48.49 20.49 1.94 3 0 1000.00 -999 ? >ILE^E 66 43.30 22.20 -3.92 42.74 23.24 -4.68 43.02 22.72 -4.30 3 0 1000.00 -999 ? >ALA^E 67 44.85 19.46 -7.17 45.50 18.13 -7.22 45.18 18.79 -7.19 2 0 1000.00 -999 ? >PHE^E 68 42.32 22.82 -9.97 43.33 25.44 -9.94 42.83 24.13 -9.96 3 0 1000.00 -999 ? >SER^E 69 42.86 19.62 -13.93 43.69 17.42 -13.25 43.27 18.52 -13.59 2 0 1000.00 -999 ? >VAL^E 70 41.71 21.27 -17.21 41.06 23.38 -17.29 41.38 22.33 -17.25 3 0 1000.00 -999 ? >GLY^E 71 41.75 19.86 -20.72 41.29 20.62 -20.47 41.52 20.24 -20.60 1 0 1000.00 -999 ? >TRP^E 72 44.74 23.34 -21.78 42.88 26.32 -20.04 43.81 24.83 -20.91 3 0 1000.00 -999 ? >ASN^E 73 38.88 20.27 -26.34 37.73 20.24 -28.17 38.31 20.26 -27.26 2 0 1000.00 -999 ? >ASN.E 74 35.07 24.01 -23.97 35.46 25.85 -24.97 35.26 24.93 -24.47 2 0 1000.00 -999 ? >SER.E 75 33.72 22.55 -28.45 31.34 22.83 -27.78 32.53 22.69 -28.11 2 0 1000.00 -999 ? >THR.E 76 34.15 26.35 -28.90 33.27 28.09 -27.92 33.71 27.22 -28.41 2 0 1000.00 -999 ? >GLU^E 77 39.89 27.93 -29.44 40.48 29.92 -29.01 40.19 28.92 -29.23 2 0 1000.00 -999 ? >ASN^E 78 39.97 22.10 -29.84 41.18 20.37 -29.62 40.58 21.24 -29.73 2 0 1000.00 -999 ? >CSS^E 79 43.97 23.94 -27.99 43.61 26.66 -27.35 43.79 25.30 -27.67 2 0 1000.00 -999 ? >ASN^E 80 45.74 20.03 -29.24 45.07 18.22 -30.15 45.41 19.12 -29.70 2 0 1000.00 -999 ? >SER^E 81 46.61 20.70 -24.39 47.67 22.52 -25.51 47.14 21.61 -24.95 2 0 1000.00 -999 ? >ALA^E 82 46.10 20.02 -20.68 45.89 18.51 -20.35 45.99 19.26 -20.52 2 0 1000.00 -999 ? >THR^E 83 47.01 21.79 -17.48 47.33 23.95 -17.48 47.17 22.87 -17.48 2 0 1000.00 -999 ? >GLY^E 84 47.32 20.39 -13.91 47.73 21.12 -14.12 47.53 20.75 -14.02 1 0 1000.00 -999 ? >TRP^E 85 46.89 26.14 -11.67 44.65 25.30 -14.82 45.77 25.72 -13.25 3 0 1000.00 -999 ? >THR^E 86 48.52 21.51 -7.44 49.41 19.50 -7.38 48.97 20.51 -7.41 2 0 1000.00 -999 ? >GLY^E 87 48.83 23.58 -4.24 48.18 23.08 -4.12 48.51 23.33 -4.18 1 0 1000.00 -999 ? >TYR^E 88 49.53 25.47 -0.27 51.84 27.02 -0.57 50.69 26.25 -0.42 3 0 1000.00 -999 ? >ALA^E 89 44.95 27.45 0.32 43.49 27.21 0.61 44.22 27.33 0.47 2 0 1000.00 -999 ? >GLN^E 90 48.41 31.10 1.50 50.58 31.28 1.53 49.50 31.19 1.52 2 0 1000.00 -999 ? >VAL^E 91 45.52 33.29 4.47 45.63 34.33 6.41 45.57 33.81 5.44 3 0 1000.00 -999 ? >ASN^E 92 46.00 36.37 1.08 46.70 38.06 -0.03 46.35 37.22 0.53 2 0 1000.00 -999 ? >GLY.E 93 45.38 39.42 4.92 45.11 38.58 4.94 45.24 39.00 4.93 1 0 1000.00 -999 ? >ASN.E 94 40.77 39.84 6.03 40.08 39.87 8.09 40.42 39.85 7.06 2 0 1000.00 -999 ? >ASN^E 95 41.64 37.74 0.88 40.80 36.93 -0.98 41.22 37.34 -0.05 2 0 1000.00 -999 ? >THR^E 96 41.91 33.37 1.31 40.87 31.61 2.04 41.39 32.49 1.67 2 0 1000.00 -999 ? >GLU^E 97 46.69 33.22 -0.96 48.30 34.56 -1.30 47.50 33.89 -1.13 2 0 1000.00 -999 ? >ILE^E 98 44.10 28.58 -4.24 43.12 27.53 -4.48 43.61 28.06 -4.36 3 0 1000.00 -999 ? >VAL^E 99 48.87 29.06 -4.17 50.60 29.84 -3.04 49.73 29.45 -3.61 3 0 1000.00 -999 ? >THR^E 100 49.51 26.60 -6.97 47.68 26.90 -8.11 48.59 26.75 -7.54 2 0 1000.00 -999 ? >SER^E 101 52.23 25.15 -9.17 54.29 24.94 -7.95 53.26 25.05 -8.56 2 0 1000.00 -999 ? >TRP^E 102 50.30 27.55 -13.22 52.29 27.55 -16.62 51.30 27.55 -14.92 3 0 1000.00 -999 ? >ASN^E 103 52.60 20.52 -15.33 54.26 20.19 -14.02 53.43 20.36 -14.68 2 0 1000.00 -999 ? >LEU^E 104 51.06 23.89 -19.68 50.04 24.64 -21.46 50.55 24.27 -20.57 3 0 1000.00 -999 ? >ALA^E 105 51.44 19.54 -21.55 51.09 18.15 -21.17 51.26 18.85 -21.36 2 0 1000.00 -999 ? >TYR^E 106 52.59 22.64 -25.11 55.15 23.80 -24.90 53.87 23.22 -25.00 3 0 1000.00 -999 ? >GLU^E 107 52.27 18.72 -31.06 52.97 16.78 -30.55 52.62 17.75 -30.80 2 0 1000.00 -999 ? >GLY^E 108 55.64 21.83 -29.26 55.52 21.15 -29.71 55.58 21.49 -29.49 1 0 1000.00 -999 ? >GLY.E 109 58.19 22.17 -32.07 58.00 21.52 -31.63 58.10 21.85 -31.85 1 0 1000.00 -999 ? >SER.E 110 59.77 18.73 -31.69 61.60 19.39 -30.23 60.68 19.06 -30.96 2 0 1000.00 -999 ? >GLY^E 111 56.81 16.87 -30.13 57.00 17.60 -29.73 56.91 17.23 -29.93 1 0 1000.00 -999 ? >PRO^E 112 54.40 14.50 -27.41 55.31 16.55 -27.41 54.86 15.53 -27.41 3 0 1000.00 -999 ? >ALA^E 113 56.39 19.05 -24.11 56.95 20.30 -24.70 56.67 19.67 -24.40 2 0 1000.00 -999 ? >ILE^E 114 55.65 18.96 -19.49 55.08 17.90 -18.66 55.36 18.43 -19.08 3 0 1000.00 -999 ? >GLU^E 115 55.80 26.26 -19.45 55.22 27.95 -20.54 55.51 27.11 -19.99 2 0 1000.00 -999 ? >GLN^E 116 57.50 22.78 -14.94 58.82 22.14 -13.39 58.16 22.46 -14.17 2 0 1000.00 -999 ? >GLY^E 117 54.56 27.71 -13.76 54.32 27.06 -13.34 54.44 27.39 -13.55 1 0 1000.00 -999 ? >GLN^E 118 55.07 28.84 -9.40 56.04 29.20 -7.51 55.55 29.02 -8.46 2 0 1000.00 -999 ? >ASP^E 119 48.26 30.04 -11.04 48.30 30.32 -13.12 48.28 30.18 -12.08 2 0 1000.00 -999 ? >THR^E 120 47.96 32.30 -7.19 49.13 32.98 -5.49 48.54 32.64 -6.34 2 0 1000.00 -999 ? >PHE^E 121 43.61 30.74 -8.59 44.27 29.33 -10.92 43.94 30.03 -9.76 3 0 1000.00 -999 ? >GLN^E 122 44.03 37.24 -5.06 45.19 36.57 -3.39 44.61 36.90 -4.23 2 0 1000.00 -999 ? >TYR^E 123 36.90 34.44 -2.05 34.17 34.56 -1.50 35.53 34.50 -1.77 3 0 1000.00 -999 ? >VAL.E 124 36.15 36.94 -5.37 35.68 37.29 -7.51 35.91 37.12 -6.44 3 0 1000.00 -999 ? >PRO.E 125 33.58 39.73 -3.26 33.47 37.58 -3.83 33.53 38.66 -3.54 3 0 1000.00 -999 ? >THR.E 126 29.37 37.27 -5.27 27.97 35.61 -5.29 28.67 36.44 -5.28 2 0 1000.00 -999 ? >THR^E 127 27.89 40.48 -6.68 28.52 41.97 -8.09 28.20 41.22 -7.38 2 0 1000.00 -999 ? >GLU^E 128 24.43 39.65 -3.22 23.75 37.69 -3.59 24.09 38.67 -3.40 2 0 1000.00 -999 ? >ASN.E 129 22.25 41.61 -9.68 21.80 43.14 -11.08 22.03 42.37 -10.38 2 0 1000.00 -999 ? >LYS.E 130 18.06 42.65 -7.72 15.64 47.73 -8.75 16.85 45.19 -8.23 2 0 1000.00 -999 ? >SER.E 131 17.17 40.91 -10.98 16.00 42.76 -11.97 16.59 41.83 -11.47 2 0 1000.00 -999 ? >LEU.E 132 18.11 38.45 -15.00 19.10 37.13 -16.42 18.60 37.79 -15.71 3 0 1000.00 -999 ? >LEU.E 133 15.02 41.89 -17.26 13.13 41.38 -16.27 14.07 41.63 -16.77 3 0 1000.00 -999 ? >LYS.E 134 16.82 45.93 -15.76 19.80 45.16 -11.44 18.31 45.54 -13.60 2 0 1000.00 -999 ? >PHE.F 1 41.84 -0.73 -25.20 39.38 0.47 -24.46 40.61 -0.13 -24.83 3 0 1000.00 -999 ? >ASP~F 2 45.90 -3.97 -29.75 45.05 -5.85 -29.16 45.48 -4.91 -29.46 2 0 1000.00 -999 ? >ALA~F 3 48.72 -0.33 -28.86 50.15 -0.50 -28.34 49.43 -0.41 -28.60 2 0 1000.00 -999 ? >SER~F 4 48.64 -0.56 -32.68 47.92 -2.88 -33.08 48.28 -1.72 -32.88 2 0 1000.00 -999 ? >ASN~F 5 43.89 -0.05 -31.98 43.67 -1.74 -33.25 43.78 -0.89 -32.62 2 0 1000.00 -999 ? >PHE~F 6 46.68 4.87 -27.90 46.29 7.06 -26.19 46.49 5.96 -27.04 3 0 1000.00 -999 ? >LYS.F 7 45.52 7.14 -31.71 40.88 8.13 -35.33 43.20 7.64 -33.52 2 0 1000.00 -999 ? >ASP~F 8 44.43 10.80 -29.14 42.60 10.95 -30.20 43.52 10.87 -29.67 2 0 1000.00 -999 ? >PHE~F 9 43.83 10.05 -23.52 46.08 9.87 -21.87 44.95 9.96 -22.69 3 0 1000.00 -999 ? >SER~F 10 39.49 8.72 -27.68 39.93 9.51 -29.91 39.71 9.11 -28.80 2 0 1000.00 -999 ? >SER~F 11 40.89 5.23 -28.54 42.61 5.80 -30.12 41.75 5.51 -29.33 2 0 1000.00 -999 ? >ILE~F 12 41.50 4.05 -24.02 42.84 4.30 -23.59 42.17 4.17 -23.81 3 0 1000.00 -999 ? >ALA~F 13 37.11 6.27 -24.32 36.67 7.49 -25.10 36.89 6.88 -24.71 2 0 1000.00 -999 ? >SER.F 14 33.93 4.60 -23.06 32.55 5.73 -24.69 33.24 5.16 -23.87 2 0 1000.00 -999 ? >ALA^F 15 35.91 1.93 -21.26 36.71 1.16 -22.29 36.31 1.55 -21.78 2 0 1000.00 -999 ? >SER^F 16 38.01 1.31 -18.19 36.45 1.24 -16.30 37.23 1.28 -17.24 2 0 1000.00 -999 ? >SER^F 17 41.74 0.70 -18.49 41.81 1.16 -20.85 41.77 0.93 -19.67 2 0 1000.00 -999 ? >SER^F 18 44.47 -0.29 -16.07 45.33 -2.00 -14.64 44.90 -1.14 -15.36 2 0 1000.00 -999 ? >TRP^F 19 45.50 3.10 -17.11 47.18 3.78 -20.62 46.34 3.44 -18.86 3 0 1000.00 -999 ? >GLN^F 20 52.18 -1.19 -12.47 52.62 -3.28 -12.42 52.40 -2.24 -12.44 2 0 1000.00 -999 ? >ASN.F 21 54.05 4.46 -12.57 54.15 4.44 -10.46 54.10 4.45 -11.52 2 0 1000.00 -999 ? >GLN.F 22 58.45 2.15 -15.19 57.70 0.17 -15.57 58.08 1.16 -15.38 2 0 1000.00 -999 ? >SER.F 23 57.46 2.34 -8.92 58.13 4.63 -8.79 57.79 3.49 -8.85 2 0 1000.00 -999 ? >GLY.F 24 54.68 -0.25 -8.58 54.47 0.50 -8.70 54.57 0.13 -8.64 1 0 1000.00 -999 ? >SER.F 25 51.75 2.16 -8.21 52.50 3.93 -6.73 52.13 3.04 -7.47 2 0 1000.00 -999 ? >THR^F 26 48.66 1.36 -10.28 48.44 -0.72 -9.67 48.55 0.32 -9.98 2 0 1000.00 -999 ? >MET^F 27 45.58 3.14 -11.47 46.60 6.66 -13.39 46.09 4.90 -12.43 2 0 1000.00 -999 ? >ILE^F 28 41.35 1.25 -12.45 40.81 -0.05 -12.27 41.08 0.60 -12.36 3 0 1000.00 -999 ? >ILE^F 29 41.72 5.97 -15.84 42.97 6.42 -16.35 42.34 6.20 -16.09 3 0 1000.00 -999 ? >GLN^F 30 35.77 4.34 -15.49 36.82 4.12 -13.68 36.29 4.23 -14.59 2 0 1000.00 -999 ? >VAL^F 31 37.57 8.04 -19.93 39.37 8.56 -21.13 38.47 8.30 -20.53 3 0 1000.00 -999 ? >ASP.F 32 33.03 9.71 -20.25 33.03 11.81 -19.82 33.03 10.76 -20.03 2 0 1000.00 -999 ? >SER.F 33 33.18 10.75 -24.52 30.79 10.78 -24.68 31.99 10.77 -24.60 2 0 1000.00 -999 ? >PHE.F 34 30.78 14.36 -22.47 28.25 13.69 -23.33 29.51 14.03 -22.90 3 0 1000.00 -999 ? >GLY.F 35 36.86 14.11 -22.02 36.29 13.90 -21.47 36.58 14.01 -21.74 1 0 1000.00 -999 ? >ASN^F 36 34.90 13.28 -17.66 33.72 15.03 -17.95 34.31 14.15 -17.81 2 0 1000.00 -999 ? >VAL^F 37 38.57 10.99 -16.48 40.68 10.66 -17.07 39.62 10.83 -16.78 3 0 1000.00 -999 ? >SER^F 38 37.56 9.20 -13.30 35.54 8.08 -13.95 36.55 8.64 -13.63 2 0 1000.00 -999 ? >GLY^F 39 39.18 6.33 -11.48 39.08 6.88 -10.93 39.13 6.61 -11.20 1 0 1000.00 -999 ? >GLN^F 40 38.99 3.92 -7.70 38.38 5.31 -6.20 38.69 4.62 -6.95 2 0 1000.00 -999 ? >TYR^F 41 46.94 6.65 -7.94 49.73 6.81 -8.45 48.34 6.73 -8.19 3 0 1000.00 -999 ? >VAL^F 42 46.74 2.69 -5.64 45.98 0.67 -5.12 46.36 1.68 -5.38 3 0 1000.00 -999 ? >ASN.F 43 50.00 5.27 -3.36 51.91 5.87 -2.70 50.96 5.57 -3.03 2 0 1000.00 -999 ? >ARG.F 44 51.65 -1.66 -4.90 48.97 -1.93 -6.40 50.31 -1.80 -5.65 2 0 1000.00 -999 ? >ALA.F 45 55.76 4.36 -3.68 55.62 5.86 -3.95 55.69 5.11 -3.82 2 0 1000.00 -999 ? >GLN.F 46 60.95 2.43 -0.84 62.99 2.46 -1.40 61.97 2.45 -1.12 2 0 1000.00 -999 ? >GLY.F 47 58.51 4.96 2.00 57.92 5.01 1.52 58.21 4.99 1.76 1 0 1000.00 -999 ? >THR.F 48 55.23 6.82 1.52 54.90 6.97 -0.61 55.07 6.90 0.46 2 0 1000.00 -999 ? >GLY.F 49 52.02 6.79 3.49 52.11 6.84 2.63 52.06 6.81 3.06 1 0 1000.00 -999 ? >CSS.F 50 48.65 5.93 1.97 47.47 8.40 2.67 48.06 7.17 2.32 2 0 1000.00 -999 ? >GLN.F 51 52.34 2.88 0.30 54.18 1.86 0.41 53.26 2.37 0.36 2 0 1000.00 -999 ? >ASN.F 52 48.18 -1.37 0.09 50.21 -1.84 -0.19 49.20 -1.60 -0.05 2 0 1000.00 -999 ? >SER.F 53 44.17 1.32 -0.74 44.20 3.10 0.99 44.18 2.21 0.13 2 0 1000.00 -999 ? >PRO^F 54 40.37 1.65 -2.86 42.46 2.55 -2.99 41.41 2.10 -2.92 3 0 1000.00 -999 ? >TYR^F 55 43.96 7.41 -2.06 44.75 6.81 0.55 44.35 7.11 -0.75 3 0 1000.00 -999 ? >PRO^F 56 38.36 8.86 -4.16 40.09 8.36 -5.47 39.23 8.61 -4.82 3 0 1000.00 -999 ? >LEU^F 57 42.40 9.49 -9.87 42.89 8.95 -11.94 42.65 9.22 -10.90 3 0 1000.00 -999 ? >THR^F 58 39.69 12.71 -11.46 38.49 14.44 -10.89 39.09 13.57 -11.17 2 0 1000.00 -999 ? >GLY^F 59 40.96 14.50 -14.55 40.18 14.25 -14.75 40.57 14.37 -14.65 1 0 1000.00 -999 ? >ARG^F 60 37.80 17.39 -17.71 35.99 17.64 -20.21 36.90 17.51 -18.96 2 0 1000.00 -999 ? >VAL^F 61 41.78 14.56 -21.50 41.84 12.52 -22.28 41.81 13.54 -21.89 3 0 1000.00 -999 ? >ASN^F 62 42.41 18.01 -24.44 42.34 19.32 -26.15 42.38 18.67 -25.30 2 0 1000.00 -999 ? >GLY.F 63 43.56 14.65 -27.74 43.57 14.47 -26.91 43.56 14.56 -27.33 1 0 1000.00 -999 ? >THR.F 64 46.80 13.00 -26.61 48.03 13.29 -28.40 47.41 13.15 -27.50 2 0 1000.00 -999 ? >PHE^F 65 48.42 16.86 -24.66 50.27 17.12 -26.72 49.34 16.99 -25.69 3 0 1000.00 -999 ? >ILE^F 66 45.97 12.91 -19.65 46.16 11.72 -18.88 46.07 12.31 -19.26 3 0 1000.00 -999 ? >ALA^F 67 45.81 15.97 -16.47 45.68 17.49 -16.36 45.74 16.73 -16.42 2 0 1000.00 -999 ? >PHE^F 68 45.60 11.79 -13.61 47.92 10.13 -13.66 46.76 10.96 -13.63 3 0 1000.00 -999 ? >SER^F 69 44.42 14.76 -9.61 43.80 16.99 -10.42 44.11 15.88 -10.01 2 0 1000.00 -999 ? >VAL^F 70 44.34 12.69 -6.36 44.95 10.57 -6.29 44.64 11.63 -6.32 3 0 1000.00 -999 ? >GLY^F 71 43.62 13.84 -2.83 43.72 13.01 -3.11 43.67 13.42 -2.97 1 0 1000.00 -999 ? >TRP^F 72 48.20 12.65 -1.92 48.25 9.21 -3.85 48.23 10.93 -2.89 3 0 1000.00 -999 ? >ASN^F 73 41.72 12.07 2.78 40.58 11.45 4.53 41.15 11.76 3.65 2 0 1000.00 -999 ? >ASN.F 74 40.56 6.84 0.54 41.86 5.52 1.60 41.21 6.18 1.07 2 0 1000.00 -999 ? >SER.F 75 38.71 7.33 5.02 36.79 5.84 4.39 37.75 6.59 4.70 2 0 1000.00 -999 ? >THR.F 76 41.11 4.41 5.40 41.43 2.52 4.35 41.27 3.47 4.88 2 0 1000.00 -999 ? >GLU^F 77 46.78 6.22 5.81 48.42 4.99 5.29 47.60 5.60 5.55 2 0 1000.00 -999 ? >ASN^F 78 43.66 11.16 6.34 43.73 13.27 6.00 43.69 12.21 6.17 2 0 1000.00 -999 ? >CSS^F 79 47.98 11.77 4.36 49.12 9.29 3.70 48.55 10.53 4.03 2 0 1000.00 -999 ? >ASN^F 80 47.17 15.87 5.61 46.82 17.92 5.92 47.00 16.89 5.76 2 0 1000.00 -999 ? >SER^F 81 48.25 16.00 0.71 50.18 14.82 1.69 49.21 15.41 1.20 2 0 1000.00 -999 ? >ALA^F 82 47.31 16.22 -2.98 46.36 17.35 -3.30 46.84 16.78 -3.14 2 0 1000.00 -999 ? >THR^F 83 49.08 15.27 -6.20 50.53 13.67 -6.25 49.81 14.47 -6.22 2 0 1000.00 -999 ? >GLY^F 84 48.52 16.53 -9.73 49.29 16.18 -9.56 48.91 16.35 -9.65 1 0 1000.00 -999 ? >TRP^F 85 51.33 11.59 -11.98 48.92 11.06 -8.90 50.12 11.32 -10.44 3 0 1000.00 -999 ? >THR^F 86 50.03 16.32 -16.37 49.72 18.43 -16.38 49.87 17.38 -16.37 2 0 1000.00 -999 ? >GLY^F 87 51.37 14.63 -19.42 50.56 14.79 -19.59 50.97 14.71 -19.50 1 0 1000.00 -999 ? >TYR^F 88 53.04 13.46 -23.58 55.82 13.28 -23.36 54.43 13.37 -23.47 3 0 1000.00 -999 ? >ALA^F 89 50.03 9.41 -24.04 48.63 8.85 -24.22 49.33 9.13 -24.13 2 0 1000.00 -999 ? >GLN^F 90 54.52 8.08 -25.46 56.47 8.96 -25.69 55.50 8.52 -25.58 2 0 1000.00 -999 ? >VAL^F 91 52.50 4.43 -28.37 51.38 3.39 -29.95 51.94 3.91 -29.16 3 0 1000.00 -999 ? >ASN^F 92 56.47 3.26 -26.34 58.60 3.38 -26.32 57.54 3.32 -26.33 2 0 1000.00 -999 ? >GLY.F 93 56.25 -0.48 -29.51 55.55 -0.08 -29.25 55.90 -0.28 -29.38 1 0 1000.00 -999 ? >ASN.F 94 53.66 -4.37 -28.23 54.75 -5.07 -26.51 54.21 -4.72 -27.37 2 0 1000.00 -999 ? >ASN^F 95 54.13 -0.35 -24.20 54.64 -2.10 -23.06 54.39 -1.23 -23.63 2 0 1000.00 -999 ? >THR^F 96 50.87 2.51 -24.68 48.87 3.09 -25.28 49.87 2.80 -24.98 2 0 1000.00 -999 ? >GLU^F 97 54.96 4.00 -22.26 56.98 4.59 -22.63 55.97 4.30 -22.45 2 0 1000.00 -999 ? >ILE^F 98 50.16 8.05 -19.45 48.78 8.34 -19.16 49.47 8.19 -19.30 3 0 1000.00 -999 ? >VAL^F 99 54.40 10.26 -19.65 56.15 10.44 -20.94 55.28 10.35 -20.29 3 0 1000.00 -999 ? >THR^F 100 53.74 12.65 -16.75 52.44 11.37 -15.52 53.09 12.01 -16.14 2 0 1000.00 -999 ? >SER^F 101 55.23 15.31 -14.54 56.67 16.59 -16.01 55.95 15.95 -15.27 2 0 1000.00 -999 ? >TRP^F 102 55.00 12.32 -10.54 56.61 13.41 -7.11 55.81 12.86 -8.82 3 0 1000.00 -999 ? >ASN^F 103 52.96 19.40 -8.39 54.15 20.60 -9.66 53.56 20.00 -9.02 2 0 1000.00 -999 ? >LEU^F 104 53.60 15.76 -4.05 53.17 14.57 -2.21 53.39 15.16 -3.13 3 0 1000.00 -999 ? >ALA^F 105 51.43 19.60 -2.22 50.29 20.52 -2.57 50.86 20.06 -2.40 2 0 1000.00 -999 ? >TYR^F 106 54.30 17.68 1.24 57.00 18.38 1.18 55.65 18.03 1.21 3 0 1000.00 -999 ? >GLU^F 107 51.94 20.41 7.33 51.08 22.35 7.15 51.51 21.38 7.24 2 0 1000.00 -999 ? >GLY.F 108 56.38 20.16 5.29 55.82 20.48 5.84 56.10 20.32 5.57 1 0 1000.00 -999 ? >GLY.F 109 58.30 21.15 8.39 57.87 21.66 7.90 58.09 21.40 8.15 1 0 1000.00 -999 ? >SER.F 110 57.40 24.87 8.09 58.15 25.90 6.01 57.77 25.39 7.05 2 0 1000.00 -999 ? >GLY.F 111 53.95 24.66 6.52 54.59 24.20 6.07 54.27 24.43 6.29 1 0 1000.00 -999 ? >PRO^F 112 50.66 24.95 3.85 52.73 24.10 3.71 51.70 24.52 3.78 3 0 1000.00 -999 ? >ALA^F 113 55.25 22.91 0.44 56.47 22.25 1.04 55.86 22.58 0.74 2 0 1000.00 -999 ? >ILE^F 114 54.78 22.41 -4.24 53.62 22.82 -5.14 54.20 22.61 -4.69 3 0 1000.00 -999 ? >GLU^F 115 59.09 16.68 -3.90 59.19 14.55 -3.91 59.14 15.61 -3.91 2 0 1000.00 -999 ? >GLN^F 116 58.43 20.24 -8.86 59.47 21.51 -10.25 58.95 20.88 -9.55 2 0 1000.00 -999 ? >GLY^F 117 58.75 14.45 -9.79 58.12 14.87 -10.24 58.44 14.66 -10.01 1 0 1000.00 -999 ? >GLN^F 118 59.38 13.86 -14.42 61.12 14.03 -15.65 60.25 13.94 -15.04 2 0 1000.00 -999 ? >ASP^F 119 54.74 8.99 -12.68 54.85 8.67 -10.50 54.80 8.83 -11.59 2 0 1000.00 -999 ? >THR^F 120 55.49 7.02 -16.60 56.67 7.04 -18.42 56.08 7.03 -17.51 2 0 1000.00 -999 ? >PHE^F 121 51.07 5.94 -15.15 50.96 7.43 -12.76 51.02 6.69 -13.95 3 0 1000.00 -999 ? >GLN^F 122 54.70 1.01 -19.10 56.01 -0.57 -19.57 55.36 0.22 -19.34 2 0 1000.00 -999 ? >TYR^F 123 47.08 -0.76 -21.58 44.87 -2.44 -22.00 45.97 -1.60 -21.79 3 0 1000.00 -999 ? >VAL^F 124 48.21 -3.35 -18.35 48.89 -3.78 -16.30 48.55 -3.56 -17.33 3 0 1000.00 -999 ? >PRO.F 125 47.69 -6.43 -21.46 46.42 -5.42 -19.92 47.06 -5.93 -20.69 3 0 1000.00 -999 ? >THR.F 126 42.94 -7.37 -18.24 40.89 -6.83 -18.22 41.92 -7.10 -18.23 2 0 1000.00 -999 ? >THR.F 127 43.47 -10.81 -16.70 44.89 -11.51 -15.23 44.18 -11.16 -15.97 2 0 1000.00 -999 ? >GLU.F 128 40.20 -11.54 -19.93 38.29 -10.59 -19.74 39.25 -11.07 -19.83 2 0 1000.00 -999 ? >ASN.F 129 39.45 -17.32 -18.26 38.90 -16.71 -20.21 39.18 -17.02 -19.24 2 0 1000.00 -999 ? >LYS.F 130 39.14 -16.11 -13.43 44.08 -15.70 -11.51 41.61 -15.91 -12.47 2 0 1000.00 -999 ? >SER.F 131 36.66 -17.32 -10.82 35.42 -19.23 -9.93 36.04 -18.28 -10.38 2 0 1000.00 -999 ? >LEU.F 132 34.41 -14.21 -7.98 34.52 -12.84 -6.28 34.47 -13.53 -7.13 3 0 1000.00 -999 ? >LEU.F 133 33.34 -18.92 -5.84 32.05 -19.61 -7.47 32.69 -19.26 -6.65 3 0 1000.00 -999 ?