REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 03-NOV-09 3KJK COMPND NMB1025 PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; SOURCE 3 ORGANISM_TAXID: 491; SOURCE 4 STRAIN: MC58; SOURCE 5 GENE: NMB1025; 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; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: OPPF1359 AUTHOR J.REN,S.SAINSBURY,R.J.OWENS,OXFORD PROTEIN PRODUCTION FACILITY (OPPF) HET MSE A 1 8 HET MSE A 27 8 HET MSE A 70 8 HET MSE A 76 8 HET MSE B 1 8 HET MSE B 27 8 HET MSE B 70 8 HET MSE B 76 8 HET MSE C 1 8 HET MSE C 27 8 HET MSE C 70 8 HET MSE C 76 8 HET MSE D 1 8 HET MSE D 27 8 HET MSE D 70 8 HET MSE D 76 8 HET MSE E 1 8 HET MSE E 27 8 HET MSE E 70 8 HET MSE E 76 8 HET MSE F 1 8 HET MSE F 27 8 HET MSE F 70 8 HET MSE F 76 8 HET MSE G 1 8 HET MSE G 27 8 HET MSE G 70 8 HET MSE G 76 8 HET MSE H 1 8 HET MSE H 27 8 HET MSE H 70 8 HET MSE H 76 8 HET MSE I 1 8 HET MSE I 27 8 HET MSE I 70 8 HET MSE I 76 8 HET MSE J 1 8 HET MSE J 27 8 HET MSE J 70 8 HET MSE J 76 8 HET MSE K 1 8 HET MSE K 27 8 HET MSE K 70 8 HET MSE K 76 8 HET MSE L 1 8 HET MSE L 27 8 HET MSE L 70 8 HET MSE L 76 8 >MET?A 1 20.75 -36.49 42.14 20.94 -38.24 39.49 20.85 -37.37 40.82 2 0 1000.00 -999 ? >ASP.A 2 20.76 -32.05 44.10 21.77 -32.54 45.90 21.27 -32.30 45.00 2 0 1000.00 -999 ? >ILE^A 3 15.17 -32.45 42.51 14.15 -33.39 42.23 14.66 -32.92 42.37 3 0 1000.00 -999 ? >ARG^A 4 19.48 -26.91 39.83 20.46 -24.46 38.22 19.97 -25.69 39.02 2 0 1000.00 -999 ? >TYR^A 5 11.44 -28.46 42.57 11.38 -31.10 43.51 11.41 -29.78 43.04 3 0 1000.00 -999 ? >PHE^A 6 13.71 -23.96 37.43 16.49 -24.35 37.60 15.10 -24.16 37.51 3 0 1000.00 -999 ? >GLY^A 7 8.13 -22.04 38.58 8.32 -22.69 39.05 8.22 -22.36 38.82 1 0 1000.00 -999 ? >THR^A 8 6.64 -24.17 41.35 7.57 -25.42 42.86 7.11 -24.79 42.10 2 0 1000.00 -999 ? >THR.A 9 2.90 -23.99 41.93 2.02 -24.06 39.93 2.46 -24.02 40.93 2 0 1000.00 -999 ? >PRO.A 10 -0.42 -24.12 44.76 0.94 -25.60 43.78 0.26 -24.86 44.27 3 0 1000.00 -999 ? >ARG.A 11 -3.02 -28.67 38.58 -5.81 -27.46 39.06 -4.41 -28.07 38.82 2 0 1000.00 -999 ? >TYR.A 12 2.24 -27.49 37.07 1.47 -25.07 35.88 1.85 -26.28 36.47 3 0 1000.00 -999 ? >SER^A 13 6.53 -27.05 38.39 7.67 -27.41 40.49 7.10 -27.23 39.44 2 0 1000.00 -999 ? >GLU^A 14 5.99 -23.10 35.13 4.30 -23.22 33.81 5.14 -23.16 34.47 2 0 1000.00 -999 ? >ALA^A 15 10.56 -27.10 34.97 11.57 -26.23 34.29 11.07 -26.66 34.63 2 0 1000.00 -999 ? >VAL^A 16 12.48 -29.52 37.15 11.11 -31.12 37.86 11.79 -30.32 37.51 3 0 1000.00 -999 ? >GLY^A 17 16.15 -30.42 36.85 15.82 -30.68 37.57 15.99 -30.55 37.21 1 0 1000.00 -999 ? >ALA^A 18 18.31 -33.28 38.11 17.41 -34.33 38.74 17.86 -33.81 38.42 2 0 1000.00 -999 ? >ASN.A 19 21.86 -35.95 37.15 23.77 -36.81 36.70 22.81 -36.38 36.92 2 0 1000.00 -999 ? >GLY.A 20 21.98 -31.94 34.23 21.35 -32.36 34.40 21.67 -32.15 34.31 1 0 1000.00 -999 ? >LEU^A 21 18.08 -34.62 32.99 18.26 -36.23 31.55 18.17 -35.42 32.27 3 0 1000.00 -999 ? >ILE^A 22 15.97 -29.47 31.87 16.35 -28.19 31.85 16.16 -28.83 31.86 3 0 1000.00 -999 ? >PHE^A 23 12.16 -34.23 33.04 13.53 -36.63 32.65 12.84 -35.43 32.84 3 0 1000.00 -999 ? >LEU^A 24 9.54 -28.27 30.09 10.98 -26.70 29.69 10.26 -27.49 29.89 3 0 1000.00 -999 ? >SER.A 25 5.73 -29.31 32.02 4.87 -28.90 34.24 5.30 -29.10 33.13 2 0 1000.00 -999 ? >GLY.A 26 3.57 -29.42 28.92 3.77 -28.82 29.53 3.67 -29.12 29.22 1 0 1000.00 -999 ? >MET?A 27 3.50 -25.90 27.54 5.71 -24.16 29.41 4.60 -25.03 28.47 2 0 1000.00 -999 ? >VAL.A 28 0.04 -24.75 26.41 -1.16 -25.60 28.04 -0.56 -25.17 27.23 3 0 1000.00 -999 ? >PRO.A 29 -2.00 -23.27 22.98 -0.97 -22.31 24.71 -1.48 -22.79 23.85 3 0 1000.00 -999 ? >GLU.A 30 0.06 -18.72 28.35 1.76 -18.14 29.49 0.91 -18.43 28.92 2 0 1000.00 -999 ? >ASN.A 31 -0.75 -15.20 22.91 -0.33 -14.16 24.73 -0.54 -14.68 23.82 2 0 1000.00 -999 ? >GLY.A 32 -3.00 -16.92 19.53 -3.54 -17.05 20.13 -3.27 -16.99 19.83 1 0 1000.00 -999 ? >GLU.A 33 -7.44 -16.50 18.21 -8.44 -14.91 17.22 -7.94 -15.70 17.72 2 0 1000.00 -999 ? >THR~A 34 -4.60 -20.46 14.82 -4.02 -18.99 13.32 -4.31 -19.73 14.07 2 0 1000.00 -999 ? >ALA~A 35 -2.30 -23.48 15.12 -2.39 -24.72 14.26 -2.34 -24.10 14.69 2 0 1000.00 -999 ? >ALA~A 36 0.58 -21.32 13.81 0.56 -20.56 12.47 0.57 -20.94 13.14 2 0 1000.00 -999 ? >GLU~A 37 -1.39 -16.61 15.39 -3.40 -15.92 15.28 -2.40 -16.27 15.33 2 0 1000.00 -999 ? >GLN~A 38 -2.84 -21.14 19.61 -4.45 -22.27 20.41 -3.65 -21.70 20.01 2 0 1000.00 -999 ? >THR~A 39 2.72 -22.99 18.30 3.11 -24.55 16.84 2.92 -23.77 17.57 2 0 1000.00 -999 ? >ALA~A 40 4.93 -19.87 18.19 4.81 -18.67 17.25 4.87 -19.27 17.72 2 0 1000.00 -999 ? >ASP~A 41 2.18 -18.58 22.00 1.95 -17.93 24.00 2.07 -18.25 23.00 2 0 1000.00 -999 ? >VAL~A 42 4.28 -22.35 23.10 3.24 -24.28 23.08 3.76 -23.32 23.09 3 0 1000.00 -999 ? >LEU~A 43 8.13 -22.49 20.09 8.17 -24.36 18.93 8.15 -23.43 19.51 3 0 1000.00 -999 ? >ALA~A 44 8.40 -18.88 22.95 7.61 -17.61 22.62 8.00 -18.24 22.79 2 0 1000.00 -999 ? >GLN~A 45 4.95 -19.85 26.93 3.16 -20.93 27.35 4.06 -20.39 27.14 2 0 1000.00 -999 ? >ILE~A 46 9.68 -24.20 24.86 9.47 -25.51 24.41 9.57 -24.85 24.64 3 0 1000.00 -999 ? >ASP~A 47 12.54 -19.54 24.03 12.84 -20.30 22.08 12.69 -19.92 23.06 2 0 1000.00 -999 ? >ARG~A 48 9.44 -15.72 28.54 7.16 -17.06 30.14 8.30 -16.39 29.34 2 0 1000.00 -999 ? >TRP~A 49 8.35 -21.68 30.87 8.77 -20.53 34.61 8.56 -21.11 32.74 3 0 1000.00 -999 ? >LEU~A 50 15.12 -23.69 27.55 14.58 -25.61 26.60 14.85 -24.65 27.08 3 0 1000.00 -999 ? >ALA~A 51 16.79 -20.08 29.64 16.42 -18.74 29.04 16.60 -19.41 29.34 2 0 1000.00 -999 ? >GLU~A 52 13.53 -19.01 34.07 13.92 -18.37 36.03 13.72 -18.69 35.05 2 0 1000.00 -999 ? >CYH~A 53 17.15 -23.66 33.66 14.68 -24.92 33.93 15.91 -24.29 33.80 2 0 1000.00 -999 ? >GLY.A 54 20.53 -22.94 32.02 19.90 -23.27 31.61 20.21 -23.10 31.82 1 0 1000.00 -999 ? >SER.A 55 19.47 -24.39 28.67 18.80 -26.54 27.74 19.13 -25.47 28.21 2 0 1000.00 -999 ? >ASP~A 56 19.22 -22.50 24.59 21.02 -23.51 24.13 20.12 -23.00 24.36 2 0 1000.00 -999 ? >LYS~A 57 16.56 -24.91 22.08 15.19 -20.59 17.64 15.87 -22.75 19.86 2 0 1000.00 -999 ? >ALA~A 58 19.95 -26.21 20.83 21.11 -25.30 20.39 20.53 -25.76 20.61 2 0 1000.00 -999 ? >HIS.A 59 22.26 -27.31 24.72 24.05 -26.42 24.07 23.15 -26.86 24.39 3 0 1000.00 -999 ? >VAL^A 60 16.70 -30.08 23.65 14.70 -29.25 23.23 15.70 -29.67 23.44 3 0 1000.00 -999 ? >LEU^A 61 17.13 -34.69 24.92 18.98 -34.75 26.06 18.06 -34.72 25.49 3 0 1000.00 -999 ? >ASP^A 62 12.97 -35.88 24.29 11.41 -37.20 23.80 12.19 -36.54 24.04 2 0 1000.00 -999 ? >ALA^A 63 9.92 -33.20 22.18 10.13 -32.07 21.21 10.02 -32.63 21.69 2 0 1000.00 -999 ? >VAL^A 64 6.39 -34.66 22.21 5.70 -36.44 23.27 6.04 -35.55 22.74 3 0 1000.00 -999 ? >ILE^A 65 4.27 -31.93 18.99 4.80 -30.90 18.17 4.53 -31.41 18.58 3 0 1000.00 -999 ? >TYR^A 66 0.38 -34.19 23.38 1.86 -35.84 25.08 1.12 -35.01 24.23 3 0 1000.00 -999 ? >LEU^A 67 -2.03 -31.75 17.06 -0.60 -30.71 15.81 -1.32 -31.23 16.43 3 0 1000.00 -999 ? >ARG.A 68 -9.04 -28.89 19.87 -11.42 -29.86 21.58 -10.23 -29.38 20.73 2 0 1000.00 -999 ? >ASP~A 69 -7.69 -30.96 14.99 -8.67 -31.69 13.25 -8.18 -31.33 14.12 2 0 1000.00 -999 ? >MET?A 70 -4.13 -33.65 13.29 -1.12 -35.17 13.27 -2.63 -34.41 13.28 2 0 1000.00 -999 ? >GLY~A 71 -5.53 -31.39 10.51 -4.98 -31.22 11.12 -5.26 -31.30 10.81 1 0 1000.00 -999 ? >ASP~A 72 -3.39 -28.20 13.31 -5.10 -26.96 13.39 -4.25 -27.58 13.35 2 0 1000.00 -999 ? >TYR~A 73 1.27 -33.06 10.82 3.65 -34.54 10.95 2.46 -33.80 10.88 3 0 1000.00 -999 ? >ALA~A 74 1.55 -28.83 8.36 1.04 -28.80 6.94 1.29 -28.82 7.65 2 0 1000.00 -999 ? >GLU~A 75 -0.73 -23.48 10.63 -2.71 -22.83 11.04 -1.72 -23.15 10.83 2 0 1000.00 -999 ? >MET?A 76 2.37 -26.56 13.26 4.36 -28.89 15.15 3.37 -27.73 14.20 2 0 1000.00 -999 ? >ASN~A 77 5.30 -29.07 10.29 5.16 -31.04 11.08 5.23 -30.05 10.69 2 0 1000.00 -999 ? >GLY~A 78 5.94 -24.68 9.51 5.99 -24.86 10.31 5.96 -24.77 9.91 1 0 1000.00 -999 ? >VAL~A 79 6.52 -22.88 12.83 5.20 -21.55 14.00 5.86 -22.21 13.41 3 0 1000.00 -999 ? >TRP~A 80 9.68 -28.97 14.24 10.19 -29.40 18.12 9.94 -29.18 16.18 3 0 1000.00 -999 ? >ASP~A 81 10.38 -26.41 10.01 9.64 -28.37 9.75 10.01 -27.39 9.88 2 0 1000.00 -999 ? >ALA~A 82 11.71 -22.42 11.48 10.79 -21.30 10.98 11.25 -21.86 11.23 2 0 1000.00 -999 ? >TRP~A 83 11.57 -21.51 18.42 12.23 -24.87 20.38 11.90 -23.19 19.40 3 0 1000.00 -999 ? >VAL~A 84 14.67 -25.59 15.73 13.78 -27.40 14.85 14.23 -26.49 15.29 3 0 1000.00 -999 ? >ALA.A 85 18.47 -25.31 15.83 19.32 -25.45 17.09 18.89 -25.38 16.46 2 0 1000.00 -999 ? >ALA.A 86 19.81 -26.50 12.47 20.23 -25.59 11.31 20.02 -26.05 11.89 2 0 1000.00 -999 ? >GLY.A 87 21.94 -29.64 12.86 21.37 -29.40 13.39 21.66 -29.52 13.12 1 0 1000.00 -999 ? >ARG.A 88 23.49 -27.70 18.17 24.87 -28.90 20.65 24.18 -28.30 19.41 2 0 1000.00 -999 ? >THR.A 89 17.06 -30.92 16.01 16.77 -31.23 13.91 16.91 -31.08 14.96 2 0 1000.00 -999 ? >PRO.A 90 13.99 -31.42 19.14 15.77 -32.56 18.36 14.88 -31.99 18.75 3 0 1000.00 -999 ? >ALA^A 91 13.99 -36.48 18.99 14.19 -37.57 20.03 14.09 -37.02 19.51 2 0 1000.00 -999 ? >ARG^A 92 9.02 -32.93 15.93 6.86 -32.24 13.87 7.94 -32.58 14.90 2 0 1000.00 -999 ? >ALA^A 93 6.91 -37.47 18.36 6.70 -38.46 19.47 6.80 -37.97 18.92 2 0 1000.00 -999 ? >CYH^A 94 3.62 -35.96 17.15 2.14 -33.97 15.87 2.88 -34.97 16.51 2 0 1000.00 -999 ? >VAL^A 95 0.29 -37.44 18.11 0.33 -38.89 19.81 0.31 -38.16 18.96 3 0 1000.00 -999 ? >GLU^A 96 -5.51 -35.58 17.03 -7.10 -36.21 15.77 -6.30 -35.90 16.40 2 0 1000.00 -999 ? >ALA.A 97 -4.89 -35.74 21.74 -3.93 -36.18 22.84 -4.41 -35.96 22.29 2 0 1000.00 -999 ? >ARG.A 98 -11.16 -34.10 22.35 -13.20 -33.81 20.08 -12.18 -33.95 21.22 2 0 1000.00 -999 ? >LEU.A 99 -5.11 -29.71 25.15 -3.39 -30.14 23.88 -4.25 -29.92 24.51 3 0 1000.00 -999 ? >ALA.A 100 -7.38 -29.18 28.86 -6.51 -28.70 30.00 -6.94 -28.94 29.43 2 0 1000.00 -999 ? >ARG.A 101 -9.18 -23.16 29.16 -7.04 -22.17 31.14 -8.11 -22.66 30.15 2 0 1000.00 -999 ? >PRO.A 102 -13.02 -26.71 25.08 -10.88 -26.58 24.41 -11.95 -26.65 24.74 3 0 1000.00 -999 ? >GLU.A 103 -10.90 -21.90 23.54 -10.64 -22.15 25.63 -10.77 -22.03 24.58 2 0 1000.00 -999 ? >TRP.A 104 -5.65 -23.40 25.14 -4.76 -25.00 28.62 -5.20 -24.20 26.88 3 0 1000.00 -999 ? >ARG.A 105 -6.45 -24.57 16.64 -8.64 -26.67 16.02 -7.55 -25.62 16.33 2 0 1000.00 -999 ? >VAL^A 106 -1.21 -27.64 20.48 0.52 -26.61 19.57 -0.35 -27.12 20.02 3 0 1000.00 -999 ? >GLU^A 107 0.76 -29.60 25.96 -0.49 -30.10 27.61 0.14 -29.85 26.79 2 0 1000.00 -999 ? >ILE^A 108 5.35 -28.49 22.59 6.07 -28.23 21.31 5.71 -28.36 21.95 3 0 1000.00 -999 ? >LYS^A 109 6.42 -31.42 26.13 7.58 -34.72 30.07 7.00 -33.07 28.10 2 0 1000.00 -999 ? >ILE^A 110 10.69 -29.49 26.15 11.46 -29.37 24.86 11.08 -29.43 25.50 3 0 1000.00 -999 ? >THR^A 111 13.10 -32.87 27.85 13.07 -34.93 28.59 13.08 -33.90 28.22 2 0 1000.00 -999 ? >ALA^A 112 16.43 -31.03 27.79 16.16 -29.54 27.62 16.30 -30.28 27.71 2 0 1000.00 -999 ? >VAL^A 113 19.96 -30.73 29.19 21.80 -31.55 28.28 20.88 -31.14 28.73 3 0 1000.00 -999 ? >LYS.A 114 21.93 -27.95 30.92 23.49 -26.09 36.19 22.71 -27.02 33.56 2 0 1000.00 -999 ? >ARG.A 115 24.17 -23.22 26.92 22.17 -21.25 28.22 23.17 -22.23 27.57 2 0 1000.00 -999 ? >ASP.A 116 29.24 -28.25 29.88 28.41 -30.04 30.68 28.82 -29.15 30.28 2 0 1000.00 -999 ? >MET?B 1 24.67 -47.26 33.26 23.67 -44.13 32.60 24.17 -45.69 32.93 2 0 1000.00 -999 ? >ASP.B 2 24.19 -50.99 36.33 26.30 -51.21 36.23 25.24 -51.10 36.28 2 0 1000.00 -999 ? >ILE^B 3 19.32 -51.70 33.20 18.77 -51.44 31.94 19.05 -51.57 32.57 3 0 1000.00 -999 ? >ARG^B 4 18.67 -52.01 41.09 17.18 -53.05 43.59 17.93 -52.53 42.34 2 0 1000.00 -999 ? >TYR^B 5 14.92 -54.94 34.26 16.28 -54.39 31.88 15.60 -54.67 33.07 3 0 1000.00 -999 ? >PHE^B 6 12.44 -52.33 40.48 14.80 -51.26 41.55 13.62 -51.79 41.01 3 0 1000.00 -999 ? >GLY^B 7 8.08 -56.16 38.91 8.70 -56.07 38.36 8.39 -56.12 38.63 1 0 1000.00 -999 ? >THR^B 8 9.13 -57.72 35.60 11.11 -57.97 34.75 10.12 -57.85 35.18 2 0 1000.00 -999 ? >THR.B 9 6.53 -59.51 33.47 4.75 -58.22 33.35 5.64 -58.87 33.41 2 0 1000.00 -999 ? >PRO.B 10 5.71 -62.97 30.86 6.76 -60.97 30.69 6.23 -61.97 30.77 3 0 1000.00 -999 ? >ARG.B 11 1.88 -56.57 27.51 -0.35 -58.59 26.91 0.76 -57.58 27.21 2 0 1000.00 -999 ? >TYR.B 12 4.59 -54.26 31.72 2.53 -54.86 33.51 3.56 -54.56 32.61 3 0 1000.00 -999 ? >SER^B 13 8.46 -54.11 34.01 10.63 -55.13 33.65 9.54 -54.62 33.83 2 0 1000.00 -999 ? >GLU^B 14 4.91 -53.54 37.66 3.05 -52.80 36.90 3.98 -53.17 37.28 2 0 1000.00 -999 ? >ALA^B 15 9.75 -49.93 37.08 9.86 -49.52 38.54 9.80 -49.72 37.81 2 0 1000.00 -999 ? >VAL^B 16 13.17 -49.67 35.47 13.50 -50.41 33.42 13.34 -50.04 34.44 3 0 1000.00 -999 ? >GLY^B 17 16.09 -47.83 37.07 16.31 -48.36 36.48 16.20 -48.09 36.77 1 0 1000.00 -999 ? >ALA^B 18 19.33 -46.63 35.50 19.28 -46.69 33.97 19.30 -46.66 34.73 2 0 1000.00 -999 ? >ASN.B 19 22.64 -43.60 35.69 24.24 -42.27 36.18 23.44 -42.93 35.94 2 0 1000.00 -999 ? >GLY.B 20 19.75 -42.98 39.68 19.46 -43.21 38.99 19.60 -43.09 39.33 1 0 1000.00 -999 ? >LEU^B 21 16.97 -42.02 35.82 17.11 -40.06 34.92 17.04 -41.04 35.37 3 0 1000.00 -999 ? >ILE^B 22 12.98 -44.40 39.09 12.82 -44.94 40.36 12.90 -44.67 39.72 3 0 1000.00 -999 ? >PHE^B 23 12.36 -44.28 32.95 14.10 -42.38 31.88 13.23 -43.33 32.41 3 0 1000.00 -999 ? >LEU^B 24 6.64 -45.77 37.02 7.10 -45.73 39.15 6.87 -45.75 38.08 3 0 1000.00 -999 ? >SER.B 25 5.17 -48.12 33.61 5.58 -50.42 32.97 5.38 -49.27 33.29 2 0 1000.00 -999 ? >GLY.B 26 1.89 -46.34 32.98 2.16 -47.05 33.43 2.03 -46.70 33.20 1 0 1000.00 -999 ? >MET?B 27 -0.07 -46.99 36.18 2.03 -48.53 38.37 0.98 -47.76 37.27 2 0 1000.00 -999 ? >VAL.B 28 -3.69 -48.00 35.59 -3.40 -49.40 33.90 -3.54 -48.70 34.75 3 0 1000.00 -999 ? >PRO.B 29 -7.64 -46.69 36.63 -6.17 -48.16 37.48 -6.90 -47.43 37.06 3 0 1000.00 -999 ? >GLU.B 30 -4.56 -52.37 39.93 -2.83 -53.03 40.98 -3.69 -52.70 40.46 2 0 1000.00 -999 ? >ASN.B 31 -9.45 -50.20 43.70 -8.71 -52.09 44.37 -9.08 -51.14 44.04 2 0 1000.00 -999 ? >GLY.B 32 -12.56 -47.51 41.95 -12.51 -48.07 41.37 -12.53 -47.79 41.66 1 0 1000.00 -999 ? >GLU.B 33 -16.59 -48.34 39.73 -18.60 -48.94 40.04 -17.60 -48.64 39.89 2 0 1000.00 -999 ? >THR~B 34 -15.08 -42.57 39.29 -16.07 -41.96 41.12 -15.58 -42.26 40.20 2 0 1000.00 -999 ? >ALA~B 35 -12.10 -40.48 38.19 -12.18 -39.25 37.31 -12.14 -39.86 37.75 2 0 1000.00 -999 ? >ALA~B 36 -11.52 -39.38 41.82 -12.53 -38.68 42.73 -12.02 -39.03 42.27 2 0 1000.00 -999 ? >GLU~B 37 -13.69 -43.50 44.08 -15.51 -44.54 43.70 -14.60 -44.02 43.89 2 0 1000.00 -999 ? >GLN~B 38 -10.90 -45.29 38.62 -11.23 -45.96 36.64 -11.06 -45.62 37.63 2 0 1000.00 -999 ? >THR~B 39 -6.80 -41.33 40.54 -6.86 -39.24 39.94 -6.83 -40.28 40.24 2 0 1000.00 -999 ? >ALA~B 40 -6.36 -42.14 44.26 -7.47 -42.22 45.31 -6.91 -42.18 44.78 2 0 1000.00 -999 ? >ASP~B 41 -6.66 -46.74 42.79 -5.97 -48.72 42.70 -6.31 -47.73 42.74 2 0 1000.00 -999 ? >VAL~B 42 -3.15 -44.92 40.73 -3.26 -44.41 38.58 -3.21 -44.66 39.66 3 0 1000.00 -999 ? >LEU~B 43 -1.85 -41.10 43.45 -1.74 -39.30 42.20 -1.80 -40.20 42.82 3 0 1000.00 -999 ? >ALA~B 44 -1.16 -45.11 45.77 -2.35 -45.77 46.48 -1.75 -45.44 46.12 2 0 1000.00 -999 ? >GLN~B 45 -1.30 -48.97 42.04 -2.09 -49.39 40.11 -1.69 -49.18 41.08 2 0 1000.00 -999 ? >ILE~B 46 2.56 -43.50 41.73 2.58 -42.51 40.73 2.57 -43.00 41.23 3 0 1000.00 -999 ? >ASP~B 47 2.69 -44.12 47.19 2.18 -42.06 47.26 2.44 -43.09 47.23 2 0 1000.00 -999 ? >ARG~B 48 1.29 -50.28 47.40 -1.35 -50.28 45.81 -0.03 -50.28 46.61 2 0 1000.00 -999 ? >TRP~B 49 4.03 -49.88 41.41 6.26 -53.12 41.35 5.15 -51.50 41.38 3 0 1000.00 -999 ? >LEU~B 50 7.95 -43.86 44.36 7.82 -42.41 42.72 7.89 -43.13 43.54 3 0 1000.00 -999 ? >ALA~B 51 9.13 -46.78 47.67 8.08 -47.14 48.71 8.60 -46.96 48.19 2 0 1000.00 -999 ? >GLU~B 52 9.05 -52.24 45.69 10.60 -53.56 46.30 9.82 -52.90 45.99 2 0 1000.00 -999 ? >CYH~B 53 12.85 -48.28 43.89 11.28 -48.70 41.65 12.07 -48.49 42.77 2 0 1000.00 -999 ? >GLY.B 54 14.21 -46.19 46.80 13.69 -45.92 46.23 13.95 -46.06 46.52 1 0 1000.00 -999 ? >SER.B 55 12.28 -43.06 45.85 11.81 -41.55 43.99 12.05 -42.30 44.92 2 0 1000.00 -999 ? >ASP~B 56 9.30 -40.67 48.33 10.83 -39.24 48.58 10.06 -39.96 48.45 2 0 1000.00 -999 ? >LYS~B 57 6.72 -38.47 45.57 1.92 -37.46 49.58 4.32 -37.96 47.57 2 0 1000.00 -999 ? >ALA~B 58 9.07 -35.62 46.58 9.50 -35.30 48.02 9.28 -35.46 47.30 2 0 1000.00 -999 ? >HIS.B 59 13.29 -37.57 45.78 14.19 -36.97 47.58 13.74 -37.27 46.68 3 0 1000.00 -999 ? >VAL^B 60 9.25 -37.15 41.03 7.22 -37.93 40.79 8.23 -37.54 40.91 3 0 1000.00 -999 ? >LEU^B 61 11.81 -35.84 37.19 13.88 -36.03 37.82 12.84 -35.94 37.50 3 0 1000.00 -999 ? >ASP^B 62 8.66 -36.17 34.22 7.70 -35.58 32.45 8.18 -35.87 33.33 2 0 1000.00 -999 ? >ALA^B 63 4.27 -36.98 35.22 3.49 -36.71 36.50 3.88 -36.84 35.86 2 0 1000.00 -999 ? >VAL^B 64 2.18 -37.47 32.09 2.83 -37.56 29.99 2.50 -37.52 31.04 3 0 1000.00 -999 ? >ILE^B 65 -2.14 -36.97 33.95 -2.52 -36.60 35.24 -2.33 -36.79 34.59 3 0 1000.00 -999 ? >TYR^B 66 -1.95 -40.72 28.99 0.67 -40.75 28.01 -0.64 -40.73 28.50 3 0 1000.00 -999 ? >LEU^B 67 -8.09 -37.78 31.32 -8.03 -36.95 33.36 -8.06 -37.37 32.34 3 0 1000.00 -999 ? >ARG.B 68 -13.09 -43.72 28.97 -13.58 -45.62 26.57 -13.33 -44.67 27.77 2 0 1000.00 -999 ? >ASP~B 69 -13.74 -38.50 29.55 -15.30 -37.21 28.92 -14.52 -37.86 29.23 2 0 1000.00 -999 ? >MET?B 70 -11.12 -34.45 29.63 -8.24 -32.67 30.08 -9.68 -33.56 29.85 2 0 1000.00 -999 ? >GLY~B 71 -14.44 -33.84 31.43 -13.76 -34.21 31.69 -14.10 -34.02 31.56 1 0 1000.00 -999 ? >ASP~B 72 -12.37 -36.92 34.48 -14.05 -38.17 34.17 -13.21 -37.54 34.32 2 0 1000.00 -999 ? >TYR~B 73 -8.53 -30.83 33.66 -6.10 -29.45 33.75 -7.32 -30.14 33.71 3 0 1000.00 -999 ? >ALA~B 74 -11.18 -31.02 37.71 -12.41 -30.12 37.77 -11.80 -30.57 37.74 2 0 1000.00 -999 ? >GLU~B 75 -13.51 -36.22 40.26 -15.01 -37.60 39.64 -14.26 -36.91 39.95 2 0 1000.00 -999 ? >MET?B 76 -8.64 -35.72 38.84 -5.26 -35.36 37.53 -6.95 -35.54 38.19 2 0 1000.00 -999 ? >ASN~B 77 -7.16 -31.05 39.20 -6.28 -30.79 37.25 -6.72 -30.92 38.23 2 0 1000.00 -999 ? >GLY~B 78 -8.61 -32.54 43.27 -8.07 -33.05 42.94 -8.34 -32.79 43.10 1 0 1000.00 -999 ? >VAL~B 79 -6.89 -35.82 44.12 -7.70 -37.85 44.02 -7.29 -36.83 44.07 3 0 1000.00 -999 ? >TRP~B 80 -1.65 -32.63 40.72 0.98 -35.30 39.52 -0.33 -33.96 40.12 3 0 1000.00 -999 ? >ASP~B 81 -4.41 -30.34 44.12 -4.49 -29.40 42.18 -4.45 -29.87 43.15 2 0 1000.00 -999 ? >ALA~B 82 -3.90 -33.15 47.63 -5.21 -33.80 48.09 -4.55 -33.47 47.86 2 0 1000.00 -999 ? >TRP~B 83 -0.30 -39.01 46.52 2.22 -38.56 43.54 0.96 -38.78 45.03 3 0 1000.00 -999 ? >VAL~B 84 1.75 -33.81 45.54 1.19 -32.45 43.89 1.47 -33.13 44.72 3 0 1000.00 -999 ? >ALA.B 85 4.57 -32.87 47.90 5.94 -33.54 47.98 5.26 -33.21 47.94 2 0 1000.00 -999 ? >ALA.B 86 4.28 -29.13 48.65 3.71 -28.54 49.95 4.00 -28.84 49.30 2 0 1000.00 -999 ? >GLY.B 87 7.13 -27.12 47.10 6.94 -27.88 46.87 7.04 -27.50 46.99 1 0 1000.00 -999 ? >ARG.B 88 10.82 -31.69 48.02 13.63 -32.37 46.96 12.23 -32.03 47.49 2 0 1000.00 -999 ? >THR.B 89 5.73 -30.59 42.62 4.42 -28.90 42.88 5.08 -29.75 42.75 2 0 1000.00 -999 ? >PRO.B 90 5.15 -33.87 39.67 6.51 -32.09 39.96 5.83 -32.98 39.82 3 0 1000.00 -999 ? >ALA^B 91 6.74 -31.24 35.74 7.82 -31.39 34.70 7.28 -31.31 35.22 2 0 1000.00 -999 ? >ARG^B 92 0.11 -32.50 36.61 -2.85 -31.67 36.69 -1.37 -32.08 36.65 2 0 1000.00 -999 ? >ALA^B 93 1.30 -32.71 31.27 2.11 -33.00 30.02 1.71 -32.85 30.65 2 0 1000.00 -999 ? >CYH^B 94 -2.31 -33.87 31.00 -4.83 -34.20 32.12 -3.57 -34.03 31.56 2 0 1000.00 -999 ? >VAL^B 95 -3.86 -34.98 27.69 -2.04 -35.44 26.49 -2.95 -35.21 27.09 3 0 1000.00 -999 ? >GLU^B 96 -9.45 -37.04 26.42 -11.11 -36.19 25.44 -10.28 -36.62 25.93 2 0 1000.00 -999 ? >ALA.B 97 -6.34 -40.50 25.34 -4.86 -40.79 25.15 -5.60 -40.64 25.24 2 0 1000.00 -999 ? >ARG.B 98 -11.69 -44.01 23.74 -14.31 -43.20 22.39 -13.00 -43.61 23.06 2 0 1000.00 -999 ? >LEU.B 99 -6.70 -46.22 29.17 -6.09 -44.32 30.11 -6.39 -45.27 29.64 3 0 1000.00 -999 ? >ALA.B 100 -6.45 -50.24 27.30 -5.25 -51.04 27.82 -5.85 -50.64 27.56 2 0 1000.00 -999 ? >ARG.B 101 -10.03 -54.17 30.93 -8.23 -55.65 32.94 -9.13 -54.91 31.94 2 0 1000.00 -999 ? >PRO.B 102 -13.70 -50.62 27.33 -12.44 -49.32 28.66 -13.07 -49.97 28.00 3 0 1000.00 -999 ? >GLU.B 103 -12.74 -50.80 33.53 -13.00 -52.55 32.33 -12.87 -51.67 32.93 2 0 1000.00 -999 ? >TRP.B 104 -9.04 -49.53 34.00 -6.01 -51.30 32.21 -7.53 -50.42 33.11 3 0 1000.00 -999 ? >ARG.B 105 -14.18 -42.72 34.74 -15.55 -41.59 32.22 -14.87 -42.16 33.48 2 0 1000.00 -999 ? >VAL^B 106 -7.01 -42.20 34.14 -6.54 -41.44 36.17 -6.77 -41.82 35.16 3 0 1000.00 -999 ? >GLU^B 107 -1.83 -44.88 32.26 -1.68 -46.33 30.71 -1.76 -45.61 31.48 2 0 1000.00 -999 ? >ILE^B 108 -0.44 -41.21 36.51 -0.70 -40.05 37.43 -0.57 -40.63 36.97 3 0 1000.00 -999 ? >LYS^B 109 3.26 -42.12 33.74 7.34 -42.57 29.58 5.30 -42.35 31.66 2 0 1000.00 -999 ? >ILE^B 110 5.87 -41.65 37.67 5.77 -40.42 38.61 5.82 -41.03 38.14 3 0 1000.00 -999 ? >THR^B 111 9.74 -40.44 35.87 10.82 -39.91 34.05 10.28 -40.18 34.96 2 0 1000.00 -999 ? >ALA^B 112 11.58 -40.10 39.18 10.78 -40.74 40.31 11.18 -40.42 39.74 2 0 1000.00 -999 ? >VAL^B 113 14.97 -40.19 40.79 16.34 -38.49 41.03 15.66 -39.33 40.91 3 0 1000.00 -999 ? >LYS.B 114 16.64 -42.26 43.53 19.39 -47.19 45.19 18.01 -44.73 44.36 2 0 1000.00 -999 ? >ARG.B 115 14.83 -40.48 49.83 13.47 -43.25 49.73 14.15 -41.86 49.78 2 0 1000.00 -999 ? >ASP.B 116 21.87 -38.81 47.57 21.97 -37.97 45.62 21.92 -38.39 46.60 2 0 1000.00 -999 ? >MET?C 1 26.66 -33.61 29.13 24.31 -35.08 31.27 25.48 -34.35 30.20 2 0 1000.00 -999 ? >ASP.C 2 29.02 -34.41 24.93 30.70 -33.18 25.35 29.86 -33.80 25.14 2 0 1000.00 -999 ? >ILE^C 3 23.71 -33.21 22.84 22.50 -32.54 23.12 23.11 -32.88 22.98 3 0 1000.00 -999 ? >ARG^C 4 27.80 -39.31 20.58 28.23 -41.76 18.76 28.01 -40.53 19.67 2 0 1000.00 -999 ? >TYR^C 5 22.00 -33.89 17.51 21.58 -31.85 19.39 21.79 -32.87 18.45 3 0 1000.00 -999 ? >PHE^C 6 22.73 -40.98 16.66 24.65 -41.53 18.62 23.69 -41.26 17.64 3 0 1000.00 -999 ? >GLY^C 7 19.86 -39.22 11.62 19.99 -38.59 12.15 19.92 -38.90 11.89 1 0 1000.00 -999 ? >THR^C 8 19.29 -35.49 11.80 20.40 -33.99 12.93 19.85 -34.74 12.36 2 0 1000.00 -999 ? >THR.C 9 16.77 -33.83 9.49 14.93 -35.03 9.60 15.85 -34.43 9.55 2 0 1000.00 -999 ? >PRO.C 10 15.91 -30.35 6.93 15.90 -30.84 9.14 15.90 -30.59 8.03 3 0 1000.00 -999 ? >ARG.C 11 8.98 -32.18 10.88 7.73 -31.57 8.13 8.36 -31.88 9.50 2 0 1000.00 -999 ? >TYR.C 12 12.50 -35.74 13.13 12.09 -37.61 11.10 12.30 -36.68 12.12 3 0 1000.00 -999 ? >SER^C 13 16.67 -36.36 14.74 18.56 -34.91 15.26 17.61 -35.64 15.00 2 0 1000.00 -999 ? >GLU^C 14 15.86 -40.74 12.22 13.80 -41.18 11.88 14.83 -40.96 12.05 2 0 1000.00 -999 ? >ALA^C 15 17.87 -40.46 17.94 18.56 -41.79 18.11 18.21 -41.13 18.03 2 0 1000.00 -999 ? >VAL^C 16 19.55 -38.09 20.38 18.92 -35.98 20.49 19.23 -37.04 20.43 3 0 1000.00 -999 ? >GLY^C 17 22.08 -39.24 23.00 22.07 -38.42 22.87 22.08 -38.83 22.94 1 0 1000.00 -999 ? >ALA^C 18 23.34 -37.59 26.20 22.53 -36.33 26.46 22.94 -36.96 26.33 2 0 1000.00 -999 ? >ASN.C 19 24.74 -38.07 30.48 25.60 -38.64 32.35 25.17 -38.35 31.41 2 0 1000.00 -999 ? >GLY.C 20 24.50 -42.58 28.43 23.99 -42.01 28.23 24.24 -42.29 28.33 1 0 1000.00 -999 ? >LEU^C 21 19.96 -40.93 28.44 18.99 -41.12 30.36 19.48 -41.03 29.40 3 0 1000.00 -999 ? >ILE^C 22 19.55 -43.69 23.52 20.26 -44.50 22.68 19.90 -44.10 23.10 3 0 1000.00 -999 ? >PHE^C 23 15.75 -39.03 24.99 15.99 -38.47 27.72 15.87 -38.75 26.36 3 0 1000.00 -999 ? >LEU^C 24 14.07 -43.52 19.68 15.53 -45.14 19.59 14.80 -44.33 19.63 3 0 1000.00 -999 ? >SER.C 25 11.92 -40.17 17.76 12.72 -38.37 16.36 12.32 -39.27 17.06 2 0 1000.00 -999 ? >GLY.C 26 8.49 -41.76 17.56 9.16 -41.65 17.01 8.82 -41.71 17.28 1 0 1000.00 -999 ? >MET?C 27 8.98 -44.60 15.12 12.20 -44.63 14.37 10.59 -44.61 14.75 2 0 1000.00 -999 ? >VAL.C 28 6.24 -44.82 12.57 5.32 -43.05 11.67 5.78 -43.94 12.12 3 0 1000.00 -999 ? >PRO.C 29 3.14 -47.58 11.28 5.21 -47.02 10.58 4.18 -47.30 10.93 3 0 1000.00 -999 ? >GLU.C 30 9.23 -46.20 7.16 11.30 -46.28 7.67 10.26 -46.24 7.42 2 0 1000.00 -999 ? >ASN.C 31 6.82 -52.12 5.57 8.44 -51.48 4.33 7.63 -51.80 4.95 2 0 1000.00 -999 ? >GLY.C 32 2.65 -53.23 6.39 2.54 -52.47 6.12 2.59 -52.85 6.26 1 0 1000.00 -999 ? >GLU.C 33 -1.41 -52.87 4.11 -2.53 -53.74 2.54 -1.97 -53.30 3.33 2 0 1000.00 -999 ? >THR~C 34 -2.31 -54.55 9.73 -2.15 -56.67 9.38 -2.23 -55.61 9.56 2 0 1000.00 -999 ? >ALA~C 35 -1.44 -53.73 13.33 -2.41 -53.82 14.50 -1.92 -53.77 13.92 2 0 1000.00 -999 ? >ALA~C 36 0.75 -56.87 13.51 0.28 -58.30 13.19 0.51 -57.59 13.35 2 0 1000.00 -999 ? >GLU~C 37 1.68 -57.24 8.29 0.32 -57.16 6.66 1.00 -57.20 7.48 2 0 1000.00 -999 ? >GLN~C 38 1.44 -51.06 9.85 0.18 -49.37 9.65 0.81 -50.21 9.75 2 0 1000.00 -999 ? >THR~C 39 4.27 -53.18 14.81 3.20 -53.66 16.64 3.73 -53.42 15.72 2 0 1000.00 -999 ? >ALA~C 40 6.93 -55.56 13.45 6.71 -56.84 12.63 6.82 -56.20 13.04 2 0 1000.00 -999 ? >ASP~C 41 7.27 -52.16 9.97 8.40 -50.74 8.88 7.83 -51.45 9.42 2 0 1000.00 -999 ? >VAL~C 42 8.20 -50.16 13.82 6.75 -48.82 14.79 7.47 -49.49 14.31 3 0 1000.00 -999 ? >LEU~C 43 9.59 -53.74 16.81 8.39 -53.76 18.68 8.99 -53.75 17.75 3 0 1000.00 -999 ? >ALA~C 44 12.61 -53.35 13.29 12.28 -53.97 11.93 12.45 -53.66 12.61 2 0 1000.00 -999 ? >GLN~C 45 11.75 -48.53 11.25 10.24 -47.07 11.03 11.00 -47.80 11.14 2 0 1000.00 -999 ? >ILE~C 46 12.77 -49.70 17.84 11.88 -49.45 18.86 12.32 -49.57 18.35 3 0 1000.00 -999 ? >ASP~C 47 16.04 -53.59 15.83 15.07 -54.93 17.17 15.55 -54.26 16.50 2 0 1000.00 -999 ? >ARG~C 48 17.36 -50.90 10.10 14.44 -51.73 9.66 15.90 -51.32 9.88 2 0 1000.00 -999 ? >TRP~C 49 15.85 -45.71 13.59 18.69 -43.42 12.11 17.27 -44.57 12.85 3 0 1000.00 -999 ? >LEU~C 50 18.55 -49.68 19.71 16.96 -49.26 21.14 17.76 -49.47 20.42 3 0 1000.00 -999 ? >ALA~C 51 22.25 -50.43 17.22 22.14 -51.44 16.08 22.19 -50.93 16.65 2 0 1000.00 -999 ? >GLU~C 52 22.51 -46.26 13.38 24.38 -45.47 12.79 23.44 -45.86 13.09 2 0 1000.00 -999 ? >CYH~C 53 23.43 -45.49 19.13 21.18 -43.89 18.62 22.30 -44.69 18.87 2 0 1000.00 -999 ? >GLY.C 54 25.32 -48.37 20.79 24.51 -48.28 20.85 24.91 -48.32 20.82 1 0 1000.00 -999 ? >SER.C 55 22.22 -49.94 22.34 20.39 -49.42 23.88 21.30 -49.68 23.11 2 0 1000.00 -999 ? >ASP~C 56 20.45 -54.10 21.76 21.30 -54.57 23.63 20.87 -54.33 22.69 2 0 1000.00 -999 ? >LYS~C 57 16.25 -53.90 22.86 14.22 -59.15 19.92 15.23 -56.52 21.39 2 0 1000.00 -999 ? >ALA~C 58 17.64 -55.51 26.03 18.57 -56.72 26.04 18.10 -56.12 26.04 2 0 1000.00 -999 ? >HIS.C 59 21.21 -52.55 27.11 22.65 -53.99 27.60 21.93 -53.27 27.35 3 0 1000.00 -999 ? >VAL^C 60 15.44 -50.19 26.60 13.98 -50.20 25.00 14.71 -50.19 25.80 3 0 1000.00 -999 ? >LEU^C 61 14.81 -46.98 30.10 16.73 -46.71 31.01 15.77 -46.84 30.56 3 0 1000.00 -999 ? >ASP^C 62 10.92 -45.52 29.00 9.04 -44.68 29.33 9.98 -45.10 29.16 2 0 1000.00 -999 ? >ALA^C 63 8.28 -47.36 25.73 8.27 -48.75 25.15 8.27 -48.06 25.44 2 0 1000.00 -999 ? >VAL^C 64 5.15 -45.33 25.05 4.58 -43.34 25.80 4.87 -44.34 25.42 3 0 1000.00 -999 ? >ILE^C 65 2.77 -48.58 22.58 3.08 -49.94 22.34 2.92 -49.26 22.46 3 0 1000.00 -999 ? >TYR^C 66 1.46 -42.71 20.96 2.87 -41.04 22.70 2.16 -41.88 21.83 3 0 1000.00 -999 ? >LEU^C 67 -3.08 -48.15 19.49 -2.26 -50.15 19.65 -2.67 -49.15 19.57 3 0 1000.00 -999 ? >ARG.C 68 -5.88 -44.91 12.73 -7.26 -42.40 11.59 -6.57 -43.66 12.16 2 0 1000.00 -999 ? >ASP~C 69 -8.13 -48.38 16.33 -10.14 -48.93 16.74 -9.13 -48.65 16.53 2 0 1000.00 -999 ? >MET?C 70 -7.32 -49.54 20.89 -5.50 -49.76 23.67 -6.41 -49.65 22.28 2 0 1000.00 -999 ? >GLY~C 71 -9.15 -52.40 19.15 -8.34 -52.17 19.12 -8.74 -52.28 19.13 1 0 1000.00 -999 ? >ASP~C 72 -4.92 -52.35 16.87 -5.77 -52.32 14.91 -5.35 -52.34 15.89 2 0 1000.00 -999 ? >TYR~C 73 -4.31 -53.55 23.92 -2.85 -53.57 26.31 -3.58 -53.56 25.11 3 0 1000.00 -999 ? >ALA~C 74 -4.05 -57.66 21.45 -5.20 -58.66 21.52 -4.63 -58.16 21.48 2 0 1000.00 -999 ? >GLU~C 75 -2.76 -57.90 15.38 -3.74 -57.13 13.66 -3.25 -57.52 14.52 2 0 1000.00 -999 ? >MET?C 76 0.07 -55.25 18.71 1.77 -53.25 21.23 0.92 -54.25 19.97 2 0 1000.00 -999 ? >ASN~C 77 -0.12 -57.34 23.15 -0.47 -55.65 24.39 -0.29 -56.49 23.77 2 0 1000.00 -999 ? >GLY~C 78 1.40 -60.46 20.27 1.82 -59.75 20.20 1.61 -60.10 20.24 1 0 1000.00 -999 ? >VAL~C 79 4.22 -58.94 18.19 4.23 -58.10 16.14 4.23 -58.52 17.17 3 0 1000.00 -999 ? >TRP~C 80 5.39 -55.92 24.40 7.61 -52.70 23.96 6.50 -54.31 24.18 3 0 1000.00 -999 ? >ASP~C 81 4.46 -60.71 23.86 3.03 -59.67 25.08 3.74 -60.19 24.47 2 0 1000.00 -999 ? >ALA~C 82 7.68 -61.89 20.93 7.03 -62.49 19.68 7.36 -62.19 20.31 2 0 1000.00 -999 ? >TRP~C 83 11.70 -56.77 18.35 11.79 -53.79 20.92 11.74 -55.28 19.64 3 0 1000.00 -999 ? >VAL~C 84 10.90 -57.96 23.92 9.71 -57.41 25.68 10.31 -57.68 24.80 3 0 1000.00 -999 ? >ALA.C 85 14.01 -59.35 25.75 15.34 -58.62 25.88 14.67 -58.99 25.82 2 0 1000.00 -999 ? >ALA.C 86 13.12 -61.93 28.41 13.19 -63.45 28.24 13.15 -62.69 28.33 2 0 1000.00 -999 ? >GLY.C 87 13.80 -60.68 31.94 13.71 -60.19 31.30 13.75 -60.43 31.62 1 0 1000.00 -999 ? >ARG.C 88 18.37 -58.07 29.85 20.37 -56.07 31.07 19.37 -57.07 30.46 2 0 1000.00 -999 ? >THR.C 89 11.18 -55.88 29.48 9.75 -57.36 30.14 10.47 -56.62 29.81 2 0 1000.00 -999 ? >PRO.C 90 10.30 -52.12 27.38 10.91 -52.77 29.45 10.60 -52.44 28.41 3 0 1000.00 -999 ? >ALA^C 91 8.65 -49.69 31.49 9.03 -48.40 32.16 8.84 -49.05 31.83 2 0 1000.00 -999 ? >ARG^C 92 4.43 -52.04 26.53 1.91 -53.59 25.66 3.17 -52.81 26.10 2 0 1000.00 -999 ? >ALA^C 93 2.51 -47.31 28.55 2.56 -45.86 28.97 2.53 -46.58 28.76 2 0 1000.00 -999 ? >CYH^C 94 -0.03 -47.77 25.77 -1.31 -49.41 23.88 -0.67 -48.59 24.82 2 0 1000.00 -999 ? >VAL^C 95 -2.67 -45.18 24.87 -1.75 -43.45 25.91 -2.21 -44.31 25.39 3 0 1000.00 -999 ? >GLU^C 96 -6.98 -45.21 20.61 -9.09 -45.28 20.58 -8.04 -45.25 20.60 2 0 1000.00 -999 ? >ALA.C 97 -4.04 -41.47 19.75 -2.81 -40.73 20.35 -3.43 -41.10 20.05 2 0 1000.00 -999 ? >ARG.C 98 -8.02 -40.05 14.45 -10.55 -41.55 13.47 -9.29 -40.80 13.96 2 0 1000.00 -999 ? >LEU.C 99 -0.34 -41.69 13.96 0.11 -43.08 15.61 -0.11 -42.39 14.79 3 0 1000.00 -999 ? >ALA.C 100 0.11 -38.14 11.35 1.57 -37.74 11.14 0.84 -37.94 11.24 2 0 1000.00 -999 ? >ARG.C 101 1.25 -40.68 5.88 3.78 -39.37 4.76 2.51 -40.02 5.32 2 0 1000.00 -999 ? >PRO.C 102 -5.47 -40.53 7.20 -4.18 -41.76 8.59 -4.83 -41.14 7.89 3 0 1000.00 -999 ? >GLU.C 103 -2.95 -44.68 5.15 -1.52 -43.13 5.02 -2.24 -43.91 5.08 2 0 1000.00 -999 ? >TRP.C 104 1.44 -44.58 8.63 3.48 -41.32 9.47 2.46 -42.95 9.05 3 0 1000.00 -999 ? >ARG.C 105 -4.31 -49.21 11.36 -7.29 -49.43 12.08 -5.80 -49.32 11.72 2 0 1000.00 -999 ? >VAL^C 106 0.90 -47.75 15.68 2.05 -49.62 16.03 1.48 -48.69 15.86 3 0 1000.00 -999 ? >GLU^C 107 4.71 -43.06 16.76 4.41 -41.02 16.19 4.56 -42.04 16.48 2 0 1000.00 -999 ? >ILE^C 108 6.74 -47.80 19.42 6.69 -49.19 19.95 6.72 -48.50 19.68 3 0 1000.00 -999 ? >LYS^C 109 8.46 -43.85 21.33 10.38 -39.61 24.00 9.42 -41.73 22.67 2 0 1000.00 -999 ? >ILE^C 110 12.38 -46.34 22.10 12.35 -47.68 22.80 12.36 -47.01 22.45 3 0 1000.00 -999 ? >THR^C 111 14.04 -44.19 25.66 13.61 -42.55 27.03 13.83 -43.37 26.35 2 0 1000.00 -999 ? >ALA^C 112 17.12 -46.36 26.15 17.37 -47.09 24.84 17.24 -46.72 25.49 2 0 1000.00 -999 ? >VAL^C 113 20.72 -46.54 27.42 20.34 -47.29 29.46 20.53 -46.92 28.44 3 0 1000.00 -999 ? >LYS.C 114 24.12 -47.21 25.80 28.61 -44.97 23.42 26.36 -46.09 24.60 2 0 1000.00 -999 ? >ARG.C 115 25.77 -53.41 24.29 25.35 -52.66 21.34 25.56 -53.04 22.82 2 0 1000.00 -999 ? >ASP.C 116 28.99 -49.88 30.53 27.95 -48.25 31.43 28.47 -49.07 30.98 2 0 1000.00 -999 ? >MET?D 1 -51.75 -43.79 11.35 -50.32 -41.29 9.82 -51.04 -42.54 10.59 2 0 1000.00 -999 ? >ASP.D 2 -52.74 -48.55 11.79 -54.74 -48.17 12.36 -53.74 -48.36 12.08 2 0 1000.00 -999 ? >ILE^D 3 -47.55 -48.33 14.57 -46.62 -47.51 15.32 -47.09 -47.92 14.94 3 0 1000.00 -999 ? >ARG^D 4 -47.69 -54.58 9.26 -47.59 -56.90 7.23 -47.64 -55.74 8.24 2 0 1000.00 -999 ? >TYR^D 5 -44.35 -52.49 16.25 -45.19 -50.17 17.60 -44.77 -51.33 16.92 3 0 1000.00 -999 ? >PHE^D 6 -42.11 -55.28 10.01 -44.23 -54.59 8.28 -43.17 -54.94 9.15 3 0 1000.00 -999 ? >GLY^D 7 -38.86 -58.19 14.17 -39.34 -57.61 14.49 -39.10 -57.90 14.33 1 0 1000.00 -999 ? >THR^D 8 -39.76 -56.81 17.58 -41.56 -55.76 18.20 -40.66 -56.29 17.89 2 0 1000.00 -999 ? >THR.D 9 -37.43 -57.50 20.53 -35.37 -57.14 19.83 -36.40 -57.32 20.18 2 0 1000.00 -999 ? >PRO.D 10 -36.94 -58.37 24.82 -37.44 -56.59 23.55 -37.19 -57.48 24.19 3 0 1000.00 -999 ? >ARG.D 11 -31.38 -52.79 23.44 -29.69 -54.45 25.40 -30.54 -53.62 24.42 2 0 1000.00 -999 ? >TYR.D 12 -33.88 -53.13 18.47 -32.26 -55.30 17.73 -33.07 -54.21 18.10 3 0 1000.00 -999 ? >SER^D 13 -37.95 -53.51 16.36 -40.25 -53.26 17.09 -39.10 -53.39 16.72 2 0 1000.00 -999 ? >GLU^D 14 -34.97 -56.65 13.35 -32.90 -56.20 13.67 -33.93 -56.42 13.51 2 0 1000.00 -999 ? >ALA^D 15 -38.53 -52.20 11.29 -38.73 -52.72 9.86 -38.63 -52.46 10.57 2 0 1000.00 -999 ? >VAL^D 16 -41.50 -49.97 12.03 -41.69 -49.09 14.03 -41.60 -49.53 13.03 3 0 1000.00 -999 ? >GLY^D 17 -44.03 -48.94 9.37 -44.30 -48.91 10.15 -44.17 -48.92 9.76 1 0 1000.00 -999 ? >ALA^D 18 -46.72 -46.26 9.55 -46.60 -45.40 10.79 -46.66 -45.83 10.17 2 0 1000.00 -999 ? >ASN.D 19 -48.91 -43.07 7.24 -50.09 -41.88 5.90 -49.50 -42.48 6.57 2 0 1000.00 -999 ? >GLY.D 20 -46.58 -46.02 4.02 -46.28 -45.79 4.70 -46.43 -45.90 4.36 1 0 1000.00 -999 ? >LEU^D 21 -43.17 -43.69 6.57 -42.46 -41.79 5.82 -42.82 -42.74 6.19 3 0 1000.00 -999 ? >ILE^D 22 -40.39 -48.58 5.97 -40.55 -49.75 5.34 -40.47 -49.16 5.66 3 0 1000.00 -999 ? >PHE^D 23 -38.90 -44.69 10.54 -40.00 -42.20 9.95 -39.45 -43.45 10.25 3 0 1000.00 -999 ? >LEU^D 24 -34.49 -50.14 8.86 -35.20 -51.40 7.23 -34.85 -50.77 8.05 3 0 1000.00 -999 ? >SER.D 25 -33.21 -49.92 13.07 -34.17 -51.10 14.97 -33.69 -50.51 14.02 2 0 1000.00 -999 ? >GLY.D 26 -29.50 -49.37 12.58 -29.99 -50.06 12.70 -29.74 -49.71 12.64 1 0 1000.00 -999 ? >MET?D 27 -28.25 -52.47 10.82 -31.03 -54.28 10.23 -29.64 -53.38 10.53 2 0 1000.00 -999 ? >VAL.D 28 -24.93 -53.73 12.18 -25.35 -53.46 14.32 -25.14 -53.60 13.25 3 0 1000.00 -999 ? >PRO.D 29 -20.91 -54.67 11.01 -22.85 -55.79 11.09 -21.88 -55.23 11.05 3 0 1000.00 -999 ? >GLU.D 30 -25.78 -60.03 12.08 -27.73 -60.60 11.43 -26.76 -60.32 11.76 2 0 1000.00 -999 ? >ASN.D 31 -20.98 -62.15 8.11 -22.32 -63.67 8.77 -21.65 -62.91 8.44 2 0 1000.00 -999 ? >GLY.D 32 -17.14 -60.02 7.94 -17.25 -60.03 8.74 -17.20 -60.03 8.34 1 0 1000.00 -999 ? >GLU.D 33 -13.06 -60.24 10.28 -11.29 -61.40 10.41 -12.17 -60.82 10.35 2 0 1000.00 -999 ? >THR~D 34 -13.28 -55.51 6.64 -12.43 -56.53 4.92 -12.85 -56.02 5.78 2 0 1000.00 -999 ? >ALA~D 35 -15.46 -52.48 5.88 -14.93 -51.07 5.65 -15.19 -51.78 5.76 2 0 1000.00 -999 ? >ALA~D 36 -16.33 -54.01 2.48 -15.31 -54.34 1.36 -15.82 -54.18 1.92 2 0 1000.00 -999 ? >GLU~D 37 -15.30 -58.97 3.83 -13.68 -59.79 4.95 -14.49 -59.38 4.39 2 0 1000.00 -999 ? >GLN~D 38 -17.89 -55.95 8.81 -17.34 -55.02 10.65 -17.61 -55.49 9.73 2 0 1000.00 -999 ? >THR~D 39 -21.07 -53.28 4.37 -20.49 -51.40 3.45 -20.78 -52.34 3.91 2 0 1000.00 -999 ? >ALA~D 40 -22.15 -56.22 2.16 -21.19 -57.24 1.51 -21.67 -56.73 1.84 2 0 1000.00 -999 ? >ASP~D 41 -22.84 -58.53 6.42 -24.09 -59.60 7.73 -23.46 -59.06 7.07 2 0 1000.00 -999 ? >VAL~D 42 -25.38 -54.85 6.47 -24.81 -53.16 7.75 -25.10 -54.00 7.11 3 0 1000.00 -999 ? >LEU~D 43 -26.19 -53.62 1.78 -25.55 -51.56 1.43 -25.87 -52.59 1.61 3 0 1000.00 -999 ? >ALA~D 44 -28.12 -57.72 2.76 -27.24 -58.96 2.83 -27.68 -58.34 2.79 2 0 1000.00 -999 ? >GLN~D 45 -28.45 -57.92 8.02 -27.54 -57.24 9.82 -28.00 -57.58 8.92 2 0 1000.00 -999 ? >ILE~D 46 -30.68 -52.80 4.31 -30.27 -51.50 4.37 -30.48 -52.15 4.34 3 0 1000.00 -999 ? >ASP~D 47 -31.71 -56.69 0.65 -30.80 -55.43 -0.79 -31.25 -56.06 -0.07 2 0 1000.00 -999 ? >ARG~D 48 -32.90 -61.41 6.09 -34.54 -61.40 8.71 -33.72 -61.40 7.40 2 0 1000.00 -999 ? >TRP~D 49 -33.98 -56.51 8.64 -36.79 -58.64 10.37 -35.38 -57.57 9.50 3 0 1000.00 -999 ? >LEU~D 50 -36.33 -53.27 2.04 -35.45 -51.28 2.20 -35.89 -52.27 2.12 3 0 1000.00 -999 ? >ALA~D 51 -38.72 -57.00 1.34 -37.92 -58.21 0.86 -38.32 -57.61 1.10 2 0 1000.00 -999 ? >GLU~D 52 -39.36 -59.63 6.24 -41.04 -60.81 6.72 -40.20 -60.22 6.48 2 0 1000.00 -999 ? >CYH~D 53 -42.01 -54.53 4.83 -40.63 -53.60 7.00 -41.32 -54.06 5.91 2 0 1000.00 -999 ? >GLY.D 54 -43.13 -54.55 1.17 -42.46 -54.13 1.43 -42.79 -54.34 1.30 1 0 1000.00 -999 ? >SER.D 55 -40.37 -52.21 0.01 -39.36 -50.02 0.41 -39.87 -51.12 0.21 2 0 1000.00 -999 ? >ASP~D 56 -37.15 -53.17 -3.04 -38.19 -51.99 -4.45 -37.67 -52.58 -3.74 2 0 1000.00 -999 ? >LYS~D 57 -33.72 -50.57 -2.32 -29.28 -53.90 -5.33 -31.50 -52.23 -3.83 2 0 1000.00 -999 ? >ALA~D 58 -35.33 -48.56 -5.15 -35.75 -49.15 -6.51 -35.54 -48.85 -5.83 2 0 1000.00 -999 ? >HIS.D 59 -39.88 -48.15 -3.68 -40.84 -48.54 -5.50 -40.36 -48.35 -4.59 3 0 1000.00 -999 ? >VAL^D 60 -35.30 -45.96 -0.02 -33.51 -46.92 0.82 -34.40 -46.44 0.40 3 0 1000.00 -999 ? >LEU^D 61 -36.85 -41.78 1.70 -38.96 -41.86 1.23 -37.90 -41.82 1.46 3 0 1000.00 -999 ? >ASP^D 62 -33.61 -40.98 4.39 -32.35 -39.70 5.43 -32.98 -40.34 4.91 2 0 1000.00 -999 ? >ALA^D 63 -29.70 -43.38 4.52 -29.05 -44.28 3.49 -29.38 -43.83 4.00 2 0 1000.00 -999 ? >VAL^D 64 -27.36 -42.40 7.33 -27.79 -40.99 8.94 -27.58 -41.70 8.14 3 0 1000.00 -999 ? >ILE^D 65 -23.35 -44.54 5.97 -23.07 -45.21 4.81 -23.21 -44.87 5.39 3 0 1000.00 -999 ? >TYR^D 66 -23.88 -43.85 12.13 -26.24 -42.41 12.66 -25.06 -43.13 12.39 3 0 1000.00 -999 ? >LEU^D 67 -17.48 -45.01 8.88 -17.64 -45.83 6.86 -17.56 -45.42 7.87 3 0 1000.00 -999 ? >ARG.D 68 -14.33 -49.10 15.08 -13.75 -48.91 18.11 -14.04 -49.01 16.59 2 0 1000.00 -999 ? >ASP~D 69 -11.93 -45.90 11.19 -10.05 -44.95 10.97 -10.99 -45.42 11.08 2 0 1000.00 -999 ? >MET?D 70 -13.57 -42.48 8.22 -15.85 -40.81 6.50 -14.71 -41.65 7.36 2 0 1000.00 -999 ? >GLY~D 71 -10.45 -44.09 6.70 -11.22 -44.35 6.74 -10.84 -44.22 6.72 1 0 1000.00 -999 ? >ASP~D 72 -13.61 -47.72 6.45 -12.31 -48.97 7.57 -12.96 -48.35 7.01 2 0 1000.00 -999 ? >TYR~D 73 -15.67 -41.97 2.61 -17.72 -40.38 1.50 -16.69 -41.18 2.06 3 0 1000.00 -999 ? >ALA~D 74 -13.77 -45.45 -0.17 -12.41 -45.24 -0.83 -13.09 -45.34 -0.50 2 0 1000.00 -999 ? >GLU~D 75 -13.21 -51.30 1.80 -12.03 -52.17 3.32 -12.62 -51.74 2.56 2 0 1000.00 -999 ? >MET?D 76 -17.58 -48.68 2.07 -20.52 -46.64 2.60 -19.05 -47.66 2.34 2 0 1000.00 -999 ? >ASN~D 77 -17.93 -45.24 -1.37 -18.40 -43.58 -0.10 -18.16 -44.41 -0.74 2 0 1000.00 -999 ? >GLY~D 78 -17.38 -49.30 -3.35 -18.02 -49.29 -2.82 -17.70 -49.29 -3.08 1 0 1000.00 -999 ? >VAL~D 79 -19.97 -51.72 -1.95 -19.79 -53.37 -0.49 -19.88 -52.54 -1.22 3 0 1000.00 -999 ? >TRP~D 80 -23.60 -45.78 -1.82 -26.70 -46.07 0.58 -25.15 -45.93 -0.62 3 0 1000.00 -999 ? >ASP~D 81 -20.99 -47.17 -5.68 -20.49 -45.25 -4.93 -20.74 -46.21 -5.31 2 0 1000.00 -999 ? >ALA~D 82 -22.70 -51.21 -6.55 -21.63 -52.30 -6.48 -22.16 -51.76 -6.51 2 0 1000.00 -999 ? >TRP~D 83 -27.37 -53.61 -1.98 -29.42 -50.69 -0.31 -28.40 -52.15 -1.15 3 0 1000.00 -999 ? >VAL~D 84 -27.93 -48.68 -4.91 -26.74 -46.88 -4.41 -27.33 -47.78 -4.66 3 0 1000.00 -999 ? >ALA.D 85 -30.60 -48.65 -7.65 -32.09 -48.80 -7.40 -31.35 -48.73 -7.52 2 0 1000.00 -999 ? >ALA.D 86 -29.37 -46.55 -10.58 -28.78 -47.13 -11.88 -29.08 -46.84 -11.23 2 0 1000.00 -999 ? >GLY.D 87 -31.40 -43.37 -11.11 -31.36 -43.76 -10.39 -31.38 -43.56 -10.75 1 0 1000.00 -999 ? >ARG.D 88 -36.09 -46.09 -9.07 -38.85 -45.25 -8.05 -37.47 -45.67 -8.56 2 0 1000.00 -999 ? >THR.D 89 -30.35 -43.35 -5.22 -28.66 -42.81 -6.46 -29.51 -43.08 -5.84 2 0 1000.00 -999 ? >PRO.D 90 -30.32 -43.99 -0.85 -31.18 -42.51 -2.32 -30.75 -43.25 -1.59 3 0 1000.00 -999 ? >ALA^D 91 -30.62 -39.06 0.27 -31.57 -38.18 1.05 -31.10 -38.62 0.66 2 0 1000.00 -999 ? >ARG^D 92 -24.69 -42.41 0.81 -21.63 -42.74 0.72 -23.16 -42.57 0.77 2 0 1000.00 -999 ? >ALA^D 93 -25.16 -38.73 4.89 -25.86 -37.97 6.01 -25.51 -38.35 5.45 2 0 1000.00 -999 ? >CYH^D 94 -21.97 -40.45 6.07 -19.82 -42.20 5.65 -20.90 -41.33 5.86 2 0 1000.00 -999 ? >VAL^D 95 -20.39 -39.59 9.36 -21.62 -38.43 10.78 -21.01 -39.01 10.07 3 0 1000.00 -999 ? >GLU^D 96 -15.34 -41.68 12.21 -13.40 -40.91 12.55 -14.37 -41.29 12.38 2 0 1000.00 -999 ? >ALA.D 97 -19.07 -42.53 15.00 -20.57 -42.24 15.13 -19.82 -42.39 15.07 2 0 1000.00 -999 ? >ARG.D 98 -14.83 -45.26 19.40 -11.81 -44.69 19.11 -13.32 -44.97 19.25 2 0 1000.00 -999 ? >LEU.D 99 -20.71 -49.10 16.08 -21.12 -48.15 14.14 -20.91 -48.63 15.11 3 0 1000.00 -999 ? >ALA.D 100 -21.74 -50.67 20.10 -23.14 -51.24 20.20 -22.44 -50.95 20.15 2 0 1000.00 -999 ? >ARG.D 101 -20.20 -56.70 20.03 -23.00 -57.99 19.88 -21.60 -57.35 19.96 2 0 1000.00 -999 ? >PRO.D 102 -14.89 -53.31 20.86 -15.87 -52.67 18.93 -15.38 -52.99 19.90 3 0 1000.00 -999 ? >GLU.D 103 -14.90 -56.97 17.05 -16.57 -57.04 18.35 -15.74 -57.00 17.70 2 0 1000.00 -999 ? >TRP.D 104 -19.88 -55.31 14.93 -23.10 -54.55 17.05 -21.49 -54.93 15.99 3 0 1000.00 -999 ? >ARG.D 105 -13.42 -52.31 9.99 -11.70 -50.37 11.66 -12.56 -51.34 10.83 2 0 1000.00 -999 ? >VAL^D 106 -20.14 -49.75 9.77 -20.62 -50.35 7.69 -20.38 -50.05 8.73 3 0 1000.00 -999 ? >GLU^D 107 -25.55 -48.86 12.53 -25.84 -48.75 14.63 -25.69 -48.81 13.58 2 0 1000.00 -999 ? >ILE^D 108 -26.36 -48.62 6.79 -25.93 -48.56 5.41 -26.15 -48.59 6.10 3 0 1000.00 -999 ? >LYS^D 109 -29.86 -46.53 9.11 -33.14 -42.73 12.33 -31.50 -44.63 10.72 2 0 1000.00 -999 ? >ILE^D 110 -32.72 -47.84 5.72 -32.38 -47.61 4.26 -32.55 -47.73 4.99 3 0 1000.00 -999 ? >THR^D 111 -35.92 -44.72 5.96 -36.57 -42.95 7.01 -36.25 -43.83 6.48 2 0 1000.00 -999 ? >ALA^D 112 -38.07 -46.01 3.07 -37.59 -47.41 2.68 -37.83 -46.71 2.88 2 0 1000.00 -999 ? >VAL^D 113 -41.58 -46.27 1.60 -42.35 -45.03 -0.09 -41.96 -45.65 0.75 3 0 1000.00 -999 ? >LYS.D 114 -43.87 -49.19 0.66 -48.19 -52.58 2.77 -46.03 -50.89 1.71 2 0 1000.00 -999 ? >ARG.D 115 -42.24 -52.60 -4.61 -41.93 -55.10 -2.84 -42.09 -53.85 -3.72 2 0 1000.00 -999 ? >ASP.D 116 -48.58 -47.71 -4.59 -48.26 -45.95 -3.44 -48.42 -46.83 -4.01 2 0 1000.00 -999 ? >ALA.D 117 -50.97 -51.03 -5.47 -52.32 -50.45 -5.89 -51.65 -50.74 -5.68 2 0 1000.00 -999 ? >MET?E 1 -49.54 -30.99 5.36 -47.94 -33.92 4.64 -48.74 -32.45 5.00 2 0 1000.00 -999 ? >ASP.E 2 -51.22 -27.43 8.16 -52.32 -26.93 6.40 -51.77 -27.18 7.28 2 0 1000.00 -999 ? >ILE.E 3 -45.62 -27.25 9.91 -44.31 -27.30 9.43 -44.97 -27.28 9.67 3 0 1000.00 -999 ? >ARG^E 4 -49.77 -27.60 17.05 -52.03 -28.72 18.81 -50.90 -28.16 17.93 2 0 1000.00 -999 ? >TYR^E 5 -43.55 -24.71 14.31 -42.86 -24.58 11.61 -43.20 -24.64 12.96 3 0 1000.00 -999 ? >PHE^E 6 -45.85 -28.98 19.67 -48.14 -30.10 18.50 -46.99 -29.54 19.08 3 0 1000.00 -999 ? >GLY^E 7 -42.00 -25.28 22.44 -42.04 -25.15 21.62 -42.02 -25.22 22.03 1 0 1000.00 -999 ? >THR^E 8 -40.53 -22.94 19.82 -41.33 -22.36 17.86 -40.93 -22.65 18.84 2 0 1000.00 -999 ? >THR.E 9 -37.30 -21.06 20.62 -35.99 -22.53 21.57 -36.64 -21.79 21.10 2 0 1000.00 -999 ? >PRO.E 10 -34.94 -17.38 20.39 -35.55 -19.02 18.98 -35.24 -18.20 19.69 3 0 1000.00 -999 ? >ARG.E 11 -29.61 -23.02 19.00 -27.75 -21.17 20.60 -28.68 -22.10 19.80 2 0 1000.00 -999 ? >TYR.E 12 -34.19 -25.98 19.42 -33.85 -26.04 22.20 -34.02 -26.01 20.81 3 0 1000.00 -999 ? >SER^E 13 -38.66 -26.21 18.35 -40.17 -24.97 16.88 -39.41 -25.59 17.61 2 0 1000.00 -999 ? >GLU^E 14 -38.87 -27.80 23.33 -36.91 -28.41 23.92 -37.89 -28.11 23.63 2 0 1000.00 -999 ? >ALA^E 15 -41.26 -30.73 18.59 -42.30 -31.55 19.35 -41.78 -31.14 18.97 2 0 1000.00 -999 ? >VAL^E 16 -42.66 -30.19 15.08 -41.52 -29.05 13.56 -42.09 -29.62 14.32 3 0 1000.00 -999 ? >GLY^E 17 -45.78 -31.94 13.73 -45.54 -31.31 13.28 -45.66 -31.62 13.51 1 0 1000.00 -999 ? >ALA^E 18 -46.95 -32.54 10.16 -45.88 -32.11 9.18 -46.42 -32.33 9.67 2 0 1000.00 -999 ? >ASN.E 19 -49.28 -35.24 7.41 -50.79 -36.30 6.33 -50.04 -35.77 6.87 2 0 1000.00 -999 ? >GLY.E 20 -49.67 -37.09 11.98 -49.00 -36.76 11.72 -49.34 -36.92 11.85 1 0 1000.00 -999 ? >LEU^E 21 -44.97 -37.33 10.81 -44.03 -38.94 9.73 -44.50 -38.14 10.27 3 0 1000.00 -999 ? >ILE^E 22 -44.59 -36.33 16.41 -45.38 -36.16 17.53 -44.98 -36.25 16.97 3 0 1000.00 -999 ? >PHE^E 23 -39.91 -34.97 12.57 -40.39 -36.26 10.13 -40.15 -35.62 11.35 3 0 1000.00 -999 ? >LEU^E 24 -38.77 -35.09 19.74 -40.52 -35.54 20.93 -39.64 -35.31 20.34 3 0 1000.00 -999 ? >SER.E 25 -35.55 -32.23 18.96 -35.49 -29.80 18.76 -35.52 -31.02 18.86 2 0 1000.00 -999 ? >GLY.E 26 -32.59 -34.11 20.39 -33.15 -33.50 20.68 -32.87 -33.80 20.54 1 0 1000.00 -999 ? >MET?E 27 -33.38 -34.40 24.09 -36.58 -33.11 24.44 -34.98 -33.75 24.26 2 0 1000.00 -999 ? >VAL.E 28 -30.49 -33.65 26.43 -29.67 -31.91 25.37 -30.08 -32.78 25.90 3 0 1000.00 -999 ? >PRO.E 29 -28.14 -35.43 29.54 -29.92 -34.08 29.47 -29.03 -34.75 29.50 3 0 1000.00 -999 ? >GLU.E 30 -33.24 -30.35 30.97 -35.27 -29.79 30.71 -34.26 -30.07 30.84 2 0 1000.00 -999 ? >ASN.E 31 -31.91 -33.77 36.40 -33.17 -32.07 36.58 -32.54 -32.92 36.49 2 0 1000.00 -999 ? >GLY.E 32 -28.37 -36.35 36.63 -28.04 -35.66 36.35 -28.21 -36.01 36.49 1 0 1000.00 -999 ? >GLU.E 33 -23.94 -35.65 38.31 -22.85 -35.63 40.13 -23.40 -35.64 39.22 2 0 1000.00 -999 ? >THR~E 34 -24.42 -40.74 35.29 -24.92 -41.88 37.07 -24.67 -41.31 36.18 2 0 1000.00 -999 ? >ALA~E 35 -25.59 -42.39 32.06 -24.89 -43.53 31.38 -25.24 -42.96 31.72 2 0 1000.00 -999 ? >ALA~E 36 -28.50 -44.03 33.93 -28.37 -45.10 35.02 -28.44 -44.56 34.47 2 0 1000.00 -999 ? >GLU~E 37 -28.47 -40.75 38.01 -27.01 -39.72 39.19 -27.74 -40.24 38.60 2 0 1000.00 -999 ? >GLN~E 38 -27.31 -37.40 32.83 -25.65 -36.53 31.83 -26.48 -36.97 32.33 2 0 1000.00 -999 ? >THR~E 39 -31.25 -41.37 30.55 -30.67 -43.24 29.57 -30.96 -42.31 30.06 2 0 1000.00 -999 ? >ALA~E 40 -34.17 -41.38 33.01 -34.05 -41.70 34.51 -34.11 -41.54 33.76 2 0 1000.00 -999 ? >ASP~E 41 -33.23 -36.62 33.09 -33.80 -34.58 32.93 -33.51 -35.60 33.01 2 0 1000.00 -999 ? >VAL~E 42 -34.17 -37.65 28.88 -32.55 -37.74 27.37 -33.36 -37.69 28.12 3 0 1000.00 -999 ? >LEU~E 43 -36.78 -41.76 28.96 -35.66 -43.32 27.90 -36.22 -42.54 28.43 3 0 1000.00 -999 ? >ALA~E 44 -39.10 -38.28 30.95 -38.77 -37.93 32.39 -38.93 -38.11 31.67 2 0 1000.00 -999 ? >GLN~E 45 -36.75 -33.77 29.31 -34.88 -33.00 28.66 -35.82 -33.39 28.98 2 0 1000.00 -999 ? >ILE~E 46 -38.84 -38.64 25.17 -38.04 -39.33 24.24 -38.44 -38.99 24.70 3 0 1000.00 -999 ? >ASP~E 47 -42.80 -39.34 28.90 -42.35 -41.41 28.76 -42.57 -40.38 28.83 2 0 1000.00 -999 ? >ARG~E 48 -42.52 -33.04 31.35 -39.68 -33.87 32.23 -41.10 -33.46 31.79 2 0 1000.00 -999 ? >TRP~E 49 -40.26 -32.22 25.39 -42.25 -28.87 24.90 -41.25 -30.55 25.14 3 0 1000.00 -999 ? >LEU~E 50 -44.63 -38.33 23.30 -43.29 -39.52 22.06 -43.96 -38.93 22.68 3 0 1000.00 -999 ? >ALA~E 51 -47.97 -36.14 25.44 -47.92 -36.12 26.97 -47.94 -36.13 26.20 2 0 1000.00 -999 ? >GLU~E 52 -46.92 -30.70 25.59 -48.41 -29.22 25.60 -47.66 -29.96 25.59 2 0 1000.00 -999 ? >CYH~E 53 -48.11 -33.69 20.62 -45.53 -32.86 20.05 -46.82 -33.27 20.34 2 0 1000.00 -999 ? >GLY.E 54 -50.91 -36.24 21.15 -50.12 -36.44 21.08 -50.52 -36.34 21.12 1 0 1000.00 -999 ? >SER.E 55 -48.61 -39.28 21.17 -46.90 -40.40 19.87 -47.75 -39.84 20.52 2 0 1000.00 -999 ? >ASP~E 56 -47.89 -42.26 24.54 -48.98 -43.78 23.54 -48.44 -43.02 24.04 2 0 1000.00 -999 ? >LYS~E 57 -43.93 -44.04 23.93 -43.10 -46.42 29.75 -43.52 -45.23 26.84 2 0 1000.00 -999 ? >ALA~E 58 -46.09 -46.80 22.42 -47.31 -47.40 23.11 -46.70 -47.10 22.76 2 0 1000.00 -999 ? >HIS.E 59 -48.83 -44.48 19.39 -50.60 -45.50 19.87 -49.72 -44.99 19.63 3 0 1000.00 -999 ? >VAL^E 60 -42.63 -44.08 18.63 -41.14 -43.34 20.03 -41.89 -43.71 19.33 3 0 1000.00 -999 ? >LEU^E 61 -41.77 -44.37 13.92 -43.76 -43.98 13.14 -42.77 -44.17 13.53 3 0 1000.00 -999 ? >ASP^E 62 -37.42 -43.49 14.20 -35.41 -43.67 13.65 -36.41 -43.58 13.92 2 0 1000.00 -999 ? >ALA^E 63 -35.08 -43.42 18.10 -35.40 -44.04 19.45 -35.24 -43.73 18.78 2 0 1000.00 -999 ? >VAL^E 64 -31.46 -42.39 17.53 -30.55 -41.52 15.74 -31.00 -41.95 16.63 3 0 1000.00 -999 ? >ILE^E 65 -29.67 -43.72 21.69 -30.25 -44.40 22.76 -29.96 -44.06 22.22 3 0 1000.00 -999 ? >TYR^E 66 -26.60 -38.95 19.06 -27.79 -38.46 16.58 -27.20 -38.71 17.82 3 0 1000.00 -999 ? >LEU^E 67 -23.51 -42.97 24.08 -24.70 -44.24 25.36 -24.11 -43.60 24.72 3 0 1000.00 -999 ? >ARG.E 68 -19.21 -36.99 27.29 -17.06 -34.92 26.62 -18.14 -35.96 26.95 2 0 1000.00 -999 ? >ASP~E 69 -18.31 -42.51 26.98 -16.68 -43.85 27.28 -17.49 -43.18 27.13 2 0 1000.00 -999 ? >MET?E 70 -20.00 -46.15 24.30 -22.14 -47.64 22.23 -21.07 -46.89 23.26 2 0 1000.00 -999 ? >GLY~E 71 -18.69 -47.42 27.65 -19.41 -47.03 27.48 -19.05 -47.23 27.56 1 0 1000.00 -999 ? >ASP~E 72 -22.51 -44.87 28.95 -21.44 -43.80 30.45 -21.97 -44.33 29.70 2 0 1000.00 -999 ? >TYR~E 73 -24.31 -50.11 24.39 -25.98 -51.28 22.45 -25.14 -50.69 23.42 3 0 1000.00 -999 ? >ALA~E 74 -25.30 -51.24 29.01 -24.45 -52.32 29.69 -24.88 -51.78 29.35 2 0 1000.00 -999 ? >GLU~E 75 -25.58 -47.13 33.67 -24.24 -45.70 34.49 -24.91 -46.42 34.08 2 0 1000.00 -999 ? >MET?E 76 -28.27 -46.66 29.22 -29.75 -46.38 25.94 -29.01 -46.52 27.58 2 0 1000.00 -999 ? >ASN~E 77 -29.08 -51.06 27.38 -28.48 -50.76 25.35 -28.78 -50.91 26.36 2 0 1000.00 -999 ? >GLY~E 78 -30.84 -50.74 31.54 -31.10 -50.12 31.06 -30.97 -50.43 31.30 1 0 1000.00 -999 ? >VAL~E 79 -33.06 -47.65 31.73 -32.68 -45.76 32.80 -32.87 -46.71 32.26 3 0 1000.00 -999 ? >TRP~E 80 -34.23 -49.33 25.00 -35.49 -46.17 23.04 -34.86 -47.75 24.02 3 0 1000.00 -999 ? >ASP~E 81 -34.48 -52.64 28.69 -33.09 -53.04 27.14 -33.78 -52.84 27.92 2 0 1000.00 -999 ? >ALA~E 82 -37.44 -50.63 31.49 -36.86 -50.31 32.87 -37.15 -50.47 32.18 2 0 1000.00 -999 ? >TRP~E 83 -39.80 -44.36 29.52 -39.49 -43.89 25.62 -39.64 -44.13 27.57 3 0 1000.00 -999 ? >VAL~E 84 -40.12 -49.09 26.31 -38.40 -49.94 25.22 -39.26 -49.52 25.76 3 0 1000.00 -999 ? >ALA.E 85 -43.64 -50.44 25.75 -44.79 -49.68 25.09 -44.21 -50.06 25.42 2 0 1000.00 -999 ? >ALA.E 86 -43.47 -54.24 25.43 -43.84 -55.23 26.55 -43.66 -54.74 25.99 2 0 1000.00 -999 ? >GLY.E 87 -44.20 -55.48 21.90 -44.00 -54.71 22.08 -44.10 -55.10 21.99 1 0 1000.00 -999 ? >ARG.E 88 -47.96 -50.92 21.24 -49.35 -49.78 18.74 -48.65 -50.35 19.99 2 0 1000.00 -999 ? >THR.E 89 -40.44 -51.06 20.77 -39.47 -52.88 21.40 -39.95 -51.97 21.08 2 0 1000.00 -999 ? >PRO.E 90 -38.43 -47.22 19.97 -39.36 -48.88 18.77 -38.89 -48.05 19.37 3 0 1000.00 -999 ? >ALA^E 91 -36.69 -48.71 15.36 -36.84 -48.24 13.94 -36.76 -48.47 14.65 2 0 1000.00 -999 ? >ARG^E 92 -32.62 -48.41 20.92 -30.46 -49.46 22.84 -31.54 -48.93 21.88 2 0 1000.00 -999 ? >ALA^E 93 -29.81 -46.88 16.44 -29.47 -46.19 15.14 -29.64 -46.53 15.79 2 0 1000.00 -999 ? >CYH^E 94 -27.12 -46.12 19.03 -26.04 -46.30 21.59 -26.58 -46.21 20.31 2 0 1000.00 -999 ? >VAL^E 95 -23.79 -44.48 18.16 -24.32 -43.61 16.19 -24.06 -44.05 17.17 3 0 1000.00 -999 ? >GLU^E 96 -19.04 -42.57 21.50 -17.16 -43.44 21.90 -18.10 -43.00 21.70 2 0 1000.00 -999 ? >ALA.E 97 -20.90 -38.81 19.47 -21.97 -38.40 18.45 -21.43 -38.60 18.96 2 0 1000.00 -999 ? >ARG.E 98 -16.13 -35.19 22.60 -13.63 -36.40 23.90 -14.88 -35.79 23.25 2 0 1000.00 -999 ? >LEU.E 99 -23.81 -34.19 23.66 -24.83 -36.12 23.25 -24.32 -35.16 23.45 3 0 1000.00 -999 ? >ALA.E 100 -22.98 -29.85 23.20 -24.26 -29.07 22.95 -23.62 -29.46 23.07 2 0 1000.00 -999 ? >ARG.E 101 -23.34 -27.07 27.89 -21.67 -26.21 30.33 -22.51 -26.64 29.11 2 0 1000.00 -999 ? >PRO.E 102 -17.92 -30.09 28.51 -19.56 -31.59 28.07 -18.74 -30.84 28.29 3 0 1000.00 -999 ? >GLU.E 103 -21.04 -31.13 32.53 -21.84 -29.56 31.38 -21.44 -30.35 31.96 2 0 1000.00 -999 ? >TRP.E 104 -25.72 -32.21 29.38 -26.86 -29.89 26.40 -26.29 -31.05 27.89 3 0 1000.00 -999 ? >ARG.E 105 -21.99 -39.86 31.54 -19.02 -40.08 30.78 -20.50 -39.97 31.16 2 0 1000.00 -999 ? >VAL^E 106 -26.75 -39.09 26.35 -28.38 -40.28 27.30 -27.56 -39.68 26.83 3 0 1000.00 -999 ? >GLU^E 107 -29.30 -35.59 22.08 -28.40 -33.86 21.27 -28.85 -34.72 21.67 2 0 1000.00 -999 ? >ILE^E 108 -32.81 -40.10 23.18 -33.09 -41.40 23.79 -32.95 -40.75 23.49 3 0 1000.00 -999 ? >LYS^E 109 -33.75 -38.08 18.98 -33.18 -37.83 13.12 -33.47 -37.95 16.05 2 0 1000.00 -999 ? >ILE^E 110 -38.19 -39.21 19.81 -38.52 -40.60 20.20 -38.36 -39.90 20.01 3 0 1000.00 -999 ? >THR^E 111 -39.70 -39.58 15.55 -39.12 -39.49 13.46 -39.41 -39.54 14.50 2 0 1000.00 -999 ? >ALA^E 112 -43.27 -40.58 16.46 -43.54 -40.22 17.90 -43.41 -40.40 17.18 2 0 1000.00 -999 ? >VAL^E 113 -46.87 -40.64 15.23 -48.04 -42.25 14.32 -47.46 -41.44 14.77 3 0 1000.00 -999 ? >LYS.E 114 -50.10 -39.05 16.57 -53.29 -34.28 16.92 -51.69 -36.67 16.75 2 0 1000.00 -999 ? >ARG.E 115 -52.43 -42.55 21.83 -52.25 -39.96 23.52 -52.34 -41.26 22.67 2 0 1000.00 -999 ? >ASP.E 116 -56.17 -42.82 14.97 -55.20 -42.43 13.11 -55.68 -42.63 14.04 2 0 1000.00 -999 ? >MET?F 1 -46.53 -42.68 -2.40 -46.61 -42.10 0.90 -46.57 -42.39 -0.75 2 0 1000.00 -999 ? >ASP.F 2 -45.33 -40.72 -6.71 -47.15 -41.47 -7.49 -46.24 -41.09 -7.10 2 0 1000.00 -999 ? >ILE^F 3 -40.00 -42.06 -4.75 -39.21 -42.83 -3.78 -39.61 -42.45 -4.27 3 0 1000.00 -999 ? >ARG^F 4 -42.07 -35.37 -7.53 -41.40 -32.44 -8.18 -41.73 -33.90 -7.86 2 0 1000.00 -999 ? >TYR^F 5 -35.21 -40.30 -6.96 -36.12 -42.72 -5.88 -35.66 -41.51 -6.42 3 0 1000.00 -999 ? >PHE^F 6 -35.52 -33.15 -6.49 -38.29 -32.83 -6.57 -36.91 -32.99 -6.53 3 0 1000.00 -999 ? >GLY^F 7 -29.84 -33.98 -8.24 -30.25 -34.68 -8.11 -30.04 -34.33 -8.18 1 0 1000.00 -999 ? >THR^F 8 -29.28 -37.72 -8.67 -30.77 -39.29 -8.91 -30.02 -38.50 -8.79 2 0 1000.00 -999 ? >THR.F 9 -25.76 -39.19 -8.79 -24.67 -38.22 -7.17 -25.21 -38.70 -7.98 2 0 1000.00 -999 ? >PRO.F 10 -23.07 -42.12 -10.63 -24.63 -42.12 -9.02 -23.85 -42.12 -9.82 3 0 1000.00 -999 ? >ARG.F 11 -21.14 -42.01 -2.69 -18.26 -42.29 -3.67 -19.70 -42.15 -3.18 2 0 1000.00 -999 ? >TYR.F 12 -25.46 -38.57 -2.93 -23.94 -36.33 -3.65 -24.70 -37.45 -3.29 3 0 1000.00 -999 ? >SER^F 13 -29.68 -38.00 -4.61 -31.25 -39.27 -5.95 -30.46 -38.64 -5.28 2 0 1000.00 -999 ? >GLU^F 14 -27.83 -33.08 -4.76 -26.18 -32.77 -3.45 -27.00 -32.93 -4.10 2 0 1000.00 -999 ? >ALA^F 15 -33.08 -34.63 -2.39 -33.69 -33.25 -2.59 -33.38 -33.94 -2.49 2 0 1000.00 -999 ? >VAL^F 16 -35.80 -37.26 -2.37 -35.31 -39.40 -2.30 -35.56 -38.33 -2.33 3 0 1000.00 -999 ? >GLY^F 17 -39.51 -36.40 -2.23 -39.34 -37.19 -2.45 -39.42 -36.79 -2.34 1 0 1000.00 -999 ? >ALA^F 18 -42.43 -38.62 -1.20 -41.85 -39.92 -0.64 -42.14 -39.27 -0.92 2 0 1000.00 -999 ? >ASN.F 19 -46.64 -38.79 0.71 -48.57 -38.28 1.49 -47.60 -38.54 1.10 2 0 1000.00 -999 ? >GLY.F 20 -45.16 -34.08 0.61 -44.64 -34.67 0.73 -44.90 -34.37 0.67 1 0 1000.00 -999 ? >LEU^F 21 -41.94 -36.32 3.52 -42.60 -36.62 5.56 -42.27 -36.47 4.54 3 0 1000.00 -999 ? >ILE^F 22 -38.49 -32.60 1.14 -38.50 -31.52 0.26 -38.49 -32.06 0.70 3 0 1000.00 -999 ? >PHE^F 23 -36.30 -37.76 3.65 -38.34 -38.75 5.28 -37.32 -38.25 4.47 3 0 1000.00 -999 ? >LEU^F 24 -31.85 -32.40 2.19 -33.09 -30.77 1.39 -32.47 -31.59 1.79 3 0 1000.00 -999 ? >SER.F 25 -28.71 -35.49 1.76 -28.10 -36.90 -0.12 -28.40 -36.19 0.82 2 0 1000.00 -999 ? >GLY.F 26 -26.18 -34.27 4.30 -26.32 -34.18 3.44 -26.25 -34.22 3.87 1 0 1000.00 -999 ? >MET?F 27 -25.04 -30.92 2.95 -26.92 -30.49 0.16 -25.98 -30.70 1.55 2 0 1000.00 -999 ? >VAL.F 28 -21.31 -30.46 3.08 -19.98 -32.16 2.64 -20.65 -31.31 2.86 3 0 1000.00 -999 ? >PRO.F 29 -18.40 -27.81 4.86 -19.39 -27.98 2.84 -18.89 -27.90 3.85 3 0 1000.00 -999 ? >GLU.F 30 -19.91 -27.53 -2.26 -21.52 -27.33 -3.62 -20.71 -27.43 -2.94 2 0 1000.00 -999 ? >ASN.F 31 -17.40 -21.75 -0.48 -17.82 -22.06 -2.55 -17.61 -21.91 -1.51 2 0 1000.00 -999 ? >GLY.F 32 -15.21 -21.43 3.34 -14.84 -22.09 3.01 -15.03 -21.76 3.18 1 0 1000.00 -999 ? >GLU.F 33 -10.58 -21.85 4.43 -8.78 -20.75 4.32 -9.68 -21.30 4.37 2 0 1000.00 -999 ? >THR~F 34 -14.03 -21.39 9.26 -14.00 -19.22 9.39 -14.02 -20.30 9.32 2 0 1000.00 -999 ? >ALA~F 35 -17.12 -22.94 10.86 -17.28 -23.25 12.35 -17.20 -23.10 11.60 2 0 1000.00 -999 ? >ALA~F 36 -19.11 -19.76 10.14 -18.79 -18.39 10.76 -18.95 -19.08 10.45 2 0 1000.00 -999 ? >GLU~F 37 -16.10 -18.03 6.35 -13.99 -18.02 6.18 -15.05 -18.03 6.27 2 0 1000.00 -999 ? >GLN~F 38 -16.65 -24.42 5.84 -15.46 -26.08 6.44 -16.06 -25.25 6.14 2 0 1000.00 -999 ? >THR~F 39 -22.23 -23.12 7.81 -22.81 -23.22 9.89 -22.52 -23.17 8.85 2 0 1000.00 -999 ? >ALA~F 40 -23.28 -20.22 5.55 -22.57 -18.87 5.43 -22.92 -19.54 5.49 2 0 1000.00 -999 ? >ASP~F 41 -20.90 -22.74 2.12 -20.81 -23.72 0.25 -20.85 -23.23 1.18 2 0 1000.00 -999 ? >VAL~F 42 -24.18 -25.38 3.68 -23.75 -27.12 5.00 -23.97 -26.25 4.34 3 0 1000.00 -999 ? >LEU~F 43 -27.53 -22.44 5.69 -27.92 -22.96 7.76 -27.73 -22.70 6.72 3 0 1000.00 -999 ? >ALA~F 44 -27.20 -21.82 1.12 -26.02 -21.01 0.58 -26.61 -21.41 0.85 2 0 1000.00 -999 ? >GLN~F 45 -24.74 -26.03 -0.77 -23.31 -27.58 -0.36 -24.03 -26.81 -0.56 2 0 1000.00 -999 ? >ILE~F 46 -30.18 -26.24 3.21 -30.32 -26.82 4.49 -30.25 -26.53 3.85 3 0 1000.00 -999 ? >ASP~F 47 -31.44 -21.66 0.59 -31.89 -20.79 2.47 -31.66 -21.23 1.53 2 0 1000.00 -999 ? >ARG~F 48 -29.63 -25.49 -5.89 -28.10 -26.76 -8.24 -28.87 -26.13 -7.06 2 0 1000.00 -999 ? >TRP~F 49 -29.22 -28.96 -2.59 -29.97 -30.24 -6.24 -29.59 -29.60 -4.42 3 0 1000.00 -999 ? >LEU~F 50 -35.64 -25.86 0.51 -35.59 -26.74 2.50 -35.62 -26.30 1.51 3 0 1000.00 -999 ? >ALA~F 51 -36.55 -24.27 -3.61 -35.76 -23.05 -4.04 -36.16 -23.66 -3.83 2 0 1000.00 -999 ? >GLU~F 52 -33.72 -27.24 -7.26 -34.07 -27.47 -9.34 -33.90 -27.35 -8.30 2 0 1000.00 -999 ? >CYH~F 53 -38.37 -29.35 -4.17 -36.33 -31.09 -3.28 -37.35 -30.22 -3.73 2 0 1000.00 -999 ? >GLY.F 54 -41.11 -26.72 -3.68 -40.58 -26.97 -3.12 -40.85 -26.84 -3.40 1 0 1000.00 -999 ? >SER.F 55 -40.19 -26.00 -0.07 -39.92 -27.03 2.11 -40.06 -26.51 1.02 2 0 1000.00 -999 ? >ASP~F 56 -39.00 -22.03 1.79 -40.91 -21.87 2.69 -39.95 -21.95 2.24 2 0 1000.00 -999 ? >LYS~F 57 -36.66 -22.78 5.39 -33.53 -17.35 5.73 -35.09 -20.07 5.56 2 0 1000.00 -999 ? >ALA~F 58 -40.01 -21.95 6.99 -40.88 -20.72 6.66 -40.45 -21.34 6.82 2 0 1000.00 -999 ? >HIS.F 59 -43.01 -24.74 4.63 -44.51 -23.29 4.34 -43.76 -24.02 4.48 3 0 1000.00 -999 ? >VAL^F 60 -38.25 -27.50 7.62 -36.10 -27.20 7.41 -37.17 -27.35 7.51 3 0 1000.00 -999 ? >LEU^F 61 -40.04 -31.41 9.73 -41.97 -31.70 8.83 -41.00 -31.56 9.28 3 0 1000.00 -999 ? >ASP^F 62 -36.21 -33.05 11.22 -35.18 -34.06 12.75 -35.69 -33.55 11.98 2 0 1000.00 -999 ? >ALA^F 63 -32.28 -30.85 11.16 -31.98 -29.36 11.03 -32.13 -30.11 11.09 2 0 1000.00 -999 ? >VAL^F 64 -29.34 -32.90 12.38 -29.35 -35.08 12.79 -29.35 -33.99 12.58 3 0 1000.00 -999 ? >ILE^F 65 -26.15 -29.44 13.09 -26.29 -28.07 13.05 -26.22 -28.76 13.07 3 0 1000.00 -999 ? >TYR^F 66 -23.63 -35.03 11.59 -25.65 -36.93 11.34 -24.64 -35.98 11.46 3 0 1000.00 -999 ? >LEU^F 67 -19.93 -29.88 15.01 -20.64 -27.82 14.90 -20.28 -28.85 14.95 3 0 1000.00 -999 ? >ARG.F 68 -12.85 -31.63 11.56 -10.94 -34.01 11.10 -11.89 -32.82 11.33 2 0 1000.00 -999 ? >ASP~F 69 -14.04 -29.47 16.39 -12.94 -29.15 18.21 -13.49 -29.31 17.30 2 0 1000.00 -999 ? >MET?F 70 -17.96 -29.27 19.21 -21.18 -29.44 19.86 -19.57 -29.36 19.53 2 0 1000.00 -999 ? >GLY~F 71 -15.66 -26.32 19.98 -16.19 -26.45 19.35 -15.92 -26.39 19.67 1 0 1000.00 -999 ? >ASP~F 72 -17.10 -25.41 15.49 -15.22 -24.95 14.64 -16.16 -25.18 15.07 2 0 1000.00 -999 ? >TYR~F 73 -22.54 -25.65 20.18 -25.24 -26.14 20.73 -23.89 -25.89 20.45 3 0 1000.00 -999 ? >ALA~F 74 -21.24 -21.08 19.21 -20.44 -20.25 20.22 -20.84 -20.67 19.71 2 0 1000.00 -999 ? >GLU~F 75 -17.86 -19.45 14.27 -15.99 -20.05 13.50 -16.92 -19.75 13.88 2 0 1000.00 -999 ? >MET?F 76 -22.14 -22.40 13.98 -24.93 -24.78 13.89 -23.53 -23.59 13.93 2 0 1000.00 -999 ? >ASN~F 77 -25.23 -21.42 17.63 -25.65 -23.39 18.32 -25.44 -22.41 17.97 2 0 1000.00 -999 ? >GLY~F 78 -24.46 -17.64 15.17 -24.70 -18.27 14.71 -24.58 -17.96 14.94 1 0 1000.00 -999 ? >VAL~F 79 -25.09 -18.37 11.49 -23.69 -18.61 9.80 -24.39 -18.49 10.65 3 0 1000.00 -999 ? >TRP~F 80 -29.84 -22.60 14.40 -31.04 -25.36 11.86 -30.44 -23.98 13.13 3 0 1000.00 -999 ? >ASP~F 81 -29.27 -17.82 15.67 -29.11 -19.24 17.25 -29.19 -18.53 16.46 2 0 1000.00 -999 ? >ALA~F 82 -29.60 -15.74 11.64 -28.33 -14.96 11.27 -28.97 -15.35 11.46 2 0 1000.00 -999 ? >TRP~F 83 -30.51 -19.73 6.08 -32.19 -23.16 7.03 -31.35 -21.45 6.56 3 0 1000.00 -999 ? >VAL~F 84 -33.74 -19.84 10.71 -34.01 -20.77 12.71 -33.87 -20.30 11.71 3 0 1000.00 -999 ? >ALA.F 85 -37.28 -18.43 10.19 -38.30 -18.97 9.19 -37.79 -18.70 9.69 2 0 1000.00 -999 ? >ALA.F 86 -38.45 -16.70 13.39 -38.39 -15.19 13.66 -38.42 -15.95 13.52 2 0 1000.00 -999 ? >GLY.F 87 -41.41 -18.50 14.99 -40.89 -18.87 14.49 -41.15 -18.69 14.74 1 0 1000.00 -999 ? >ARG.F 88 -43.29 -20.25 9.77 -45.24 -22.41 8.78 -44.27 -21.33 9.28 2 0 1000.00 -999 ? >THR.F 89 -37.72 -23.10 13.87 -37.19 -21.96 15.62 -37.46 -22.53 14.74 2 0 1000.00 -999 ? >PRO.F 90 -35.34 -26.33 12.00 -37.20 -26.12 13.24 -36.27 -26.23 12.62 3 0 1000.00 -999 ? >ALA^F 91 -36.65 -29.75 15.55 -37.35 -31.10 15.57 -37.00 -30.43 15.56 2 0 1000.00 -999 ? >ARG^F 92 -30.59 -26.74 15.70 -28.11 -25.56 17.10 -29.35 -26.15 16.40 2 0 1000.00 -999 ? >ALA^F 93 -29.99 -32.04 17.16 -30.20 -33.54 17.14 -30.09 -32.79 17.15 2 0 1000.00 -999 ? >CYH^F 94 -26.30 -31.27 17.15 -24.27 -29.33 16.99 -25.28 -30.30 17.07 2 0 1000.00 -999 ? >VAL^F 95 -23.58 -33.87 17.77 -24.83 -35.66 17.42 -24.21 -34.77 17.59 3 0 1000.00 -999 ? >GLU^F 96 -17.45 -33.67 17.78 -16.05 -33.59 19.37 -16.75 -33.63 18.57 2 0 1000.00 -999 ? >ALA.F 97 -18.77 -36.49 14.31 -20.00 -37.17 13.72 -19.39 -36.83 14.01 2 0 1000.00 -999 ? >ARG.F 98 -12.39 -37.00 13.31 -9.49 -36.22 14.00 -10.94 -36.61 13.66 2 0 1000.00 -999 ? >LEU.F 99 -17.45 -34.53 7.77 -19.03 -33.48 8.87 -18.24 -34.01 8.32 3 0 1000.00 -999 ? >ALA.F 100 -15.68 -37.41 4.97 -16.52 -37.62 3.72 -16.10 -37.51 4.34 2 0 1000.00 -999 ? >ARG.F 101 -12.70 -33.44 1.00 -13.72 -34.18 -1.82 -13.21 -33.81 -0.41 2 0 1000.00 -999 ? >PRO.F 102 -9.09 -34.70 6.45 -11.03 -33.59 6.80 -10.06 -34.14 6.62 3 0 1000.00 -999 ? >GLU.F 103 -9.89 -29.78 4.11 -10.66 -31.20 2.74 -10.28 -30.49 3.43 2 0 1000.00 -999 ? >TRP.F 104 -15.37 -30.32 3.69 -16.98 -33.51 2.03 -16.17 -31.92 2.86 3 0 1000.00 -999 ? >ARG.F 105 -13.59 -25.89 10.66 -11.87 -27.44 12.69 -12.73 -26.67 11.68 2 0 1000.00 -999 ? >VAL^F 106 -20.04 -29.00 9.60 -21.20 -27.11 9.45 -20.62 -28.06 9.53 3 0 1000.00 -999 ? >GLU^F 107 -23.10 -33.27 6.44 -22.37 -35.18 5.82 -22.73 -34.23 6.13 2 0 1000.00 -999 ? >ILE^F 108 -26.78 -29.02 8.09 -27.18 -27.79 8.76 -26.98 -28.41 8.43 3 0 1000.00 -999 ? >LYS^F 109 -29.12 -33.07 7.30 -30.15 -37.62 5.22 -29.64 -35.34 6.26 2 0 1000.00 -999 ? >ILE^F 110 -32.70 -30.48 5.73 -33.20 -29.35 6.50 -32.95 -29.91 6.12 3 0 1000.00 -999 ? >THR^F 111 -36.16 -33.19 6.56 -36.75 -35.11 7.38 -36.46 -34.15 6.97 2 0 1000.00 -999 ? >ALA^F 112 -38.83 -30.81 5.17 -38.15 -29.76 4.28 -38.49 -30.28 4.72 2 0 1000.00 -999 ? >VAL^F 113 -42.35 -30.56 3.67 -43.68 -30.32 5.42 -43.02 -30.44 4.55 3 0 1000.00 -999 ? >LYS.F 114 -43.64 -29.30 0.31 -44.41 -30.90 -5.31 -44.02 -30.10 -2.50 2 0 1000.00 -999 ? >ARG.F 115 -44.19 -22.82 -0.14 -42.20 -23.11 -2.47 -43.20 -22.97 -1.31 2 0 1000.00 -999 ? >ASP.F 116 -50.56 -27.66 0.60 -50.06 -29.47 1.61 -50.31 -28.56 1.10 2 0 1000.00 -999 ? >MET?G 1 21.40 -27.54 57.56 21.77 -24.45 55.51 21.58 -25.99 56.53 2 0 1000.00 -999 ? >ASP.G 2 22.74 -29.25 61.84 22.09 -31.18 61.28 22.42 -30.22 61.56 2 0 1000.00 -999 ? >ILE^G 3 19.75 -24.62 63.79 18.67 -23.82 63.44 19.21 -24.22 63.62 3 0 1000.00 -999 ? >ARG^G 4 25.77 -27.15 66.15 24.75 -29.70 64.73 25.26 -28.42 65.44 2 0 1000.00 -999 ? >TYR^G 5 19.71 -22.66 68.95 17.72 -23.10 67.05 18.71 -22.88 68.00 3 0 1000.00 -999 ? >PHE^G 6 26.50 -20.49 69.79 27.73 -22.23 67.98 27.11 -21.36 68.89 3 0 1000.00 -999 ? >GLY^G 7 23.78 -18.26 74.69 23.26 -18.65 74.19 23.52 -18.46 74.44 1 0 1000.00 -999 ? >THR^G 8 20.12 -19.27 74.56 19.12 -21.02 73.73 19.62 -20.14 74.14 2 0 1000.00 -999 ? >THR.G 9 17.63 -17.43 76.78 18.04 -15.28 76.58 17.83 -16.36 76.68 2 0 1000.00 -999 ? >PRO.G 10 14.03 -17.86 79.31 14.52 -17.74 77.13 14.28 -17.80 78.22 3 0 1000.00 -999 ? >ARG.G 11 13.23 -10.99 75.31 11.97 -9.91 77.88 12.60 -10.45 76.60 2 0 1000.00 -999 ? >TYR.G 12 17.74 -12.87 72.96 19.26 -11.60 74.94 18.50 -12.23 73.95 3 0 1000.00 -999 ? >SER^G 13 19.93 -16.66 71.53 19.46 -19.04 71.30 19.70 -17.85 71.41 2 0 1000.00 -999 ? >GLU^G 14 23.80 -14.24 73.88 23.44 -12.18 74.25 23.62 -13.21 74.07 2 0 1000.00 -999 ? >ALA^G 15 24.17 -16.27 68.26 25.67 -16.42 68.25 24.92 -16.34 68.26 2 0 1000.00 -999 ? >VAL^G 16 22.58 -18.79 65.88 20.41 -19.04 65.58 21.50 -18.91 65.73 3 0 1000.00 -999 ? >GLY^G 17 24.65 -20.93 63.47 23.88 -21.19 63.59 24.26 -21.06 63.53 1 0 1000.00 -999 ? >ALA^G 18 23.49 -22.76 60.33 22.05 -22.36 60.04 22.77 -22.56 60.19 2 0 1000.00 -999 ? >ASN.G 19 25.02 -25.18 56.58 25.25 -27.31 56.65 25.13 -26.25 56.61 2 0 1000.00 -999 ? >GLY.G 20 28.58 -21.94 57.72 27.89 -21.74 58.09 28.23 -21.84 57.91 1 0 1000.00 -999 ? >LEU^G 21 25.12 -18.57 57.71 24.92 -17.50 55.84 25.02 -18.03 56.78 3 0 1000.00 -999 ? >ILE^G 22 27.57 -16.80 62.47 28.66 -17.03 63.29 28.11 -16.91 62.88 3 0 1000.00 -999 ? >PHE^G 23 21.88 -15.02 61.08 21.50 -15.34 58.32 21.69 -15.18 59.70 3 0 1000.00 -999 ? >LEU^G 24 25.51 -11.78 66.41 27.52 -12.55 66.74 26.51 -12.16 66.58 3 0 1000.00 -999 ? >SER.G 25 21.57 -10.94 68.17 20.11 -12.23 69.62 20.84 -11.59 68.89 2 0 1000.00 -999 ? >GLY.G 26 21.63 -7.16 68.34 21.82 -7.80 68.89 21.72 -7.48 68.61 1 0 1000.00 -999 ? >MET?G 27 24.47 -6.35 70.72 25.82 -9.36 71.50 25.15 -7.86 71.11 2 0 1000.00 -999 ? >VAL.G 28 23.67 -3.58 73.20 21.59 -4.09 73.75 22.63 -3.83 73.48 3 0 1000.00 -999 ? >PRO.G 29 25.29 0.25 74.34 25.55 -1.87 75.04 25.42 -0.81 74.69 3 0 1000.00 -999 ? >GLU.G 30 26.34 -5.74 78.21 27.04 -7.75 78.25 26.69 -6.75 78.23 2 0 1000.00 -999 ? >ASN.G 31 30.88 -1.25 80.04 30.91 -3.01 81.26 30.89 -2.13 80.65 2 0 1000.00 -999 ? >GLY.G 32 30.24 2.93 78.97 29.51 2.78 79.26 29.88 2.86 79.12 1 0 1000.00 -999 ? >GLU.G 33 28.49 6.84 81.27 28.86 8.34 82.71 28.67 7.59 81.99 2 0 1000.00 -999 ? >THR~G 34 29.75 7.89 75.58 31.75 8.61 76.01 30.75 8.25 75.80 2 0 1000.00 -999 ? >ALA~G 35 29.14 6.69 72.00 28.92 7.62 70.82 29.03 7.16 71.41 2 0 1000.00 -999 ? >ALA~G 36 32.81 5.64 71.77 33.99 6.61 71.90 33.40 6.13 71.84 2 0 1000.00 -999 ? >GLU~G 37 33.69 5.18 76.93 33.07 6.33 78.61 33.38 5.76 77.77 2 0 1000.00 -999 ? >GLN~G 38 27.69 3.17 75.47 25.61 3.64 75.58 26.65 3.40 75.53 2 0 1000.00 -999 ? >THR~G 39 30.63 1.15 70.59 30.75 2.27 68.71 30.69 1.71 69.65 2 0 1000.00 -999 ? >ALA~G 40 33.85 -0.43 71.96 34.90 0.32 72.81 34.37 -0.05 72.38 2 0 1000.00 -999 ? >ASP~G 41 30.97 -1.91 75.56 30.28 -3.39 76.89 30.62 -2.65 76.22 2 0 1000.00 -999 ? >VAL~G 42 29.44 -3.65 71.75 27.63 -2.82 70.83 28.53 -3.23 71.29 3 0 1000.00 -999 ? >LEU~G 43 33.21 -3.70 68.67 32.71 -2.57 66.85 32.96 -3.14 67.76 3 0 1000.00 -999 ? >ALA~G 44 34.03 -6.54 72.24 34.52 -5.93 73.56 34.27 -6.24 72.90 2 0 1000.00 -999 ? >GLN~G 45 29.20 -7.47 74.51 27.34 -6.45 74.73 28.27 -6.96 74.62 2 0 1000.00 -999 ? >ILE~G 46 30.58 -8.14 67.91 30.02 -7.52 66.76 30.30 -7.83 67.34 3 0 1000.00 -999 ? >ASP~G 47 35.48 -9.57 69.84 36.31 -8.23 68.42 35.89 -8.90 69.13 2 0 1000.00 -999 ? >ARG~G 48 34.15 -11.91 75.32 34.02 -8.91 75.93 34.08 -10.41 75.63 2 0 1000.00 -999 ? >TRP~G 49 28.12 -12.33 72.15 27.30 -15.57 74.23 27.71 -13.95 73.19 3 0 1000.00 -999 ? >LEU~G 50 32.76 -13.56 66.19 31.78 -12.40 64.62 32.27 -12.98 65.41 3 0 1000.00 -999 ? >ALA~G 51 34.83 -16.66 68.71 35.74 -16.13 69.82 35.29 -16.39 69.26 2 0 1000.00 -999 ? >GLU~G 52 31.35 -18.52 72.79 30.98 -20.48 73.50 31.16 -19.50 73.15 2 0 1000.00 -999 ? >CYH~G 53 30.79 -19.66 66.94 28.47 -18.16 67.28 29.63 -18.91 67.11 2 0 1000.00 -999 ? >GLY.G 54 34.15 -20.42 65.29 33.72 -19.72 65.20 33.93 -20.07 65.24 1 0 1000.00 -999 ? >SER.G 55 34.45 -17.01 63.61 33.21 -15.44 62.20 33.83 -16.23 62.90 2 0 1000.00 -999 ? >ASP~G 56 37.64 -13.77 63.93 38.30 -14.42 62.01 37.97 -14.10 62.97 2 0 1000.00 -999 ? >LYS~G 57 35.73 -9.98 62.83 39.78 -6.16 65.82 37.75 -8.07 64.33 2 0 1000.00 -999 ? >ALA~G 58 37.75 -10.81 59.68 39.18 -11.36 59.70 38.47 -11.08 59.69 2 0 1000.00 -999 ? >HIS.G 59 36.27 -15.17 58.61 38.13 -15.96 58.04 37.20 -15.57 58.32 3 0 1000.00 -999 ? >VAL^G 60 31.94 -10.66 59.16 31.36 -9.23 60.73 31.65 -9.95 59.94 3 0 1000.00 -999 ? >LEU^G 61 28.68 -11.53 55.66 29.04 -13.52 54.92 28.86 -12.52 55.29 3 0 1000.00 -999 ? >ASP^G 62 25.89 -8.48 56.74 24.38 -7.07 56.39 25.14 -7.78 56.56 2 0 1000.00 -999 ? >ALA^G 63 26.64 -5.25 59.88 27.94 -4.74 60.53 27.29 -4.99 60.20 2 0 1000.00 -999 ? >VAL^G 64 23.63 -3.02 60.56 21.59 -3.24 59.81 22.61 -3.13 60.19 3 0 1000.00 -999 ? >ILE^G 65 25.71 0.62 62.85 27.05 0.89 63.10 26.38 0.75 62.98 3 0 1000.00 -999 ? >TYR^G 66 19.77 -0.39 64.50 18.76 -2.42 62.85 19.26 -1.40 63.67 3 0 1000.00 -999 ? >LEU^G 67 23.09 5.88 65.82 25.24 5.92 65.64 24.17 5.90 65.73 3 0 1000.00 -999 ? >ARG.G 68 19.12 7.39 72.63 16.25 7.75 73.69 17.69 7.57 73.16 2 0 1000.00 -999 ? >ASP~G 69 21.48 10.74 68.85 21.22 12.82 68.46 21.35 11.78 68.65 2 0 1000.00 -999 ? >MET?G 70 22.83 10.30 64.28 23.68 8.63 61.60 23.26 9.46 62.94 2 0 1000.00 -999 ? >GLY~G 71 24.84 13.04 66.03 24.94 12.22 66.07 24.89 12.63 66.05 1 0 1000.00 -999 ? >ASP~G 72 26.52 9.16 68.32 26.12 10.00 70.21 26.32 9.58 69.27 2 0 1000.00 -999 ? >TYR~G 73 27.66 8.89 61.18 28.10 7.39 58.84 27.88 8.14 60.01 3 0 1000.00 -999 ? >ALA~G 74 31.61 10.25 63.66 32.08 11.70 63.56 31.85 10.98 63.61 2 0 1000.00 -999 ? >GLU~G 75 32.45 9.42 69.81 31.47 10.16 71.55 31.96 9.79 70.68 2 0 1000.00 -999 ? >MET?G 76 30.94 5.63 66.55 29.67 3.24 64.14 30.30 4.43 65.35 2 0 1000.00 -999 ? >ASN~G 77 32.68 6.63 62.10 31.01 6.32 60.79 31.85 6.47 61.45 2 0 1000.00 -999 ? >GLY~G 78 36.10 6.43 65.03 35.63 5.76 65.06 35.86 6.10 65.04 1 0 1000.00 -999 ? >VAL~G 79 35.89 3.17 67.00 35.29 2.83 69.11 35.59 3.00 68.06 3 0 1000.00 -999 ? >TRP~G 80 33.38 0.80 60.95 31.29 -2.49 61.58 32.33 -0.85 61.26 3 0 1000.00 -999 ? >ASP~G 81 37.60 3.49 61.37 36.11 4.41 60.17 36.85 3.95 60.77 2 0 1000.00 -999 ? >ALA~G 82 39.97 1.11 64.32 40.34 1.95 65.55 40.15 1.53 64.93 2 0 1000.00 -999 ? >TRP~G 83 36.80 -4.38 67.15 34.03 -5.85 64.77 35.41 -5.11 65.96 3 0 1000.00 -999 ? >VAL~G 84 37.49 -3.65 61.46 36.42 -2.15 60.22 36.95 -2.90 60.84 3 0 1000.00 -999 ? >ALA.G 85 39.95 -6.01 59.74 39.78 -7.51 59.60 39.86 -6.76 59.67 2 0 1000.00 -999 ? >ALA.G 86 41.85 -4.11 57.02 43.25 -3.54 57.18 42.55 -3.83 57.10 2 0 1000.00 -999 ? >GLY.G 87 41.06 -5.29 53.48 40.58 -5.41 54.11 40.82 -5.35 53.80 1 0 1000.00 -999 ? >ARG.G 88 40.32 -10.66 55.69 39.11 -13.32 54.70 39.72 -11.99 55.20 2 0 1000.00 -999 ? >THR.G 89 35.63 -4.84 55.90 36.49 -2.95 55.30 36.06 -3.89 55.60 2 0 1000.00 -999 ? >PRO.G 90 31.86 -5.32 58.17 32.61 -5.71 56.06 32.24 -5.51 57.11 3 0 1000.00 -999 ? >ALA^G 91 28.88 -4.73 54.09 27.84 -5.58 53.41 28.36 -5.16 53.75 2 0 1000.00 -999 ? >ARG^G 92 29.58 0.20 58.74 29.85 3.09 59.74 29.72 1.64 59.24 2 0 1000.00 -999 ? >ALA^G 93 24.48 0.23 56.88 23.15 -0.33 56.41 23.82 -0.05 56.65 2 0 1000.00 -999 ? >CYH^G 94 23.99 2.85 59.60 24.91 4.51 61.62 24.45 3.68 60.61 2 0 1000.00 -999 ? >VAL^G 95 20.55 4.07 60.60 18.78 2.99 59.84 19.66 3.53 60.22 3 0 1000.00 -999 ? >GLU^G 96 18.75 8.31 64.70 18.08 10.30 64.64 18.41 9.30 64.67 2 0 1000.00 -999 ? >ALA.G 97 16.57 4.30 65.75 16.29 2.90 65.19 16.43 3.60 65.47 2 0 1000.00 -999 ? >ARG.G 98 13.50 7.41 70.40 13.84 10.37 71.18 13.67 8.89 70.79 2 0 1000.00 -999 ? >LEU.G 99 18.26 1.06 71.60 19.73 1.10 69.98 18.99 1.08 70.79 3 0 1000.00 -999 ? >ALA.G 100 15.23 -0.67 74.30 15.42 -2.16 74.54 15.32 -1.41 74.42 2 0 1000.00 -999 ? >ARG.G 101 17.13 -1.01 79.56 16.91 -0.19 82.51 17.02 -0.60 81.04 2 0 1000.00 -999 ? >PRO.G 102 15.55 5.54 78.31 17.12 4.71 76.92 16.34 5.13 77.61 3 0 1000.00 -999 ? >GLU.G 103 20.48 4.44 80.39 19.17 2.80 80.56 19.83 3.62 80.48 2 0 1000.00 -999 ? >TRP.G 104 21.93 0.59 76.85 19.56 -2.49 76.23 20.74 -0.95 76.54 3 0 1000.00 -999 ? >ARG.G 105 25.72 7.45 73.99 26.62 10.37 73.92 26.17 8.91 73.95 2 0 1000.00 -999 ? >VAL^G 106 24.31 2.22 69.69 26.49 1.87 69.45 25.40 2.05 69.57 3 0 1000.00 -999 ? >GLU^G 107 21.40 -3.12 68.62 19.51 -3.66 69.44 20.45 -3.39 69.03 2 0 1000.00 -999 ? >ILE^G 108 26.60 -3.35 66.19 27.89 -2.78 65.67 27.25 -3.06 65.93 3 0 1000.00 -999 ? >LYS^G 109 23.61 -6.52 64.37 20.72 -9.84 61.40 22.16 -8.18 62.88 2 0 1000.00 -999 ? >ILE^G 110 27.37 -9.26 63.56 28.54 -8.69 62.85 27.96 -8.97 63.20 3 0 1000.00 -999 ? >THR^G 111 25.96 -11.64 60.08 24.30 -12.00 58.74 25.13 -11.82 59.41 2 0 1000.00 -999 ? >ALA^G 112 29.12 -13.76 59.73 29.98 -13.64 60.98 29.55 -13.70 60.35 2 0 1000.00 -999 ? >VAL^G 113 30.61 -17.03 58.51 31.66 -17.21 56.55 31.14 -17.12 57.53 3 0 1000.00 -999 ? >LYS.G 114 32.59 -19.84 60.20 31.66 -24.89 62.97 32.12 -22.36 61.59 2 0 1000.00 -999 ? >ARG.G 115 38.78 -18.48 61.60 38.15 -18.70 64.61 38.47 -18.59 63.10 2 0 1000.00 -999 ? >ASP.G 116 36.77 -23.60 55.69 34.77 -23.60 54.97 35.77 -23.60 55.33 2 0 1000.00 -999 ? >MET?H 1 21.81 -21.40 44.32 22.99 -20.54 47.33 22.40 -20.97 45.83 2 0 1000.00 -999 ? >ASP.H 2 17.56 -22.97 42.91 18.43 -23.82 41.18 17.99 -23.39 42.04 2 0 1000.00 -999 ? >ILE^H 3 15.54 -17.62 43.54 16.02 -16.39 43.45 15.78 -17.01 43.50 3 0 1000.00 -999 ? >ARG^H 4 11.35 -23.83 44.91 9.51 -24.31 47.34 10.43 -24.07 46.13 2 0 1000.00 -999 ? >TYR^H 5 10.33 -15.62 43.69 12.67 -14.69 42.48 11.50 -15.16 43.09 3 0 1000.00 -999 ? >PHE^H 6 7.33 -19.33 49.01 8.93 -21.63 48.93 8.13 -20.48 48.97 3 0 1000.00 -999 ? >GLY^H 7 3.20 -15.11 47.73 3.89 -15.05 47.27 3.55 -15.08 47.50 1 0 1000.00 -999 ? >THR^H 8 4.53 -12.98 44.88 5.98 -13.46 43.31 5.26 -13.22 44.09 2 0 1000.00 -999 ? >THR.H 9 2.89 -9.61 44.26 2.76 -8.64 46.22 2.83 -9.12 45.24 2 0 1000.00 -999 ? >PRO.H 10 1.67 -6.77 41.12 3.57 -7.38 42.15 2.62 -7.07 41.64 3 0 1000.00 -999 ? >ARG.H 11 4.93 -2.52 47.37 3.01 -0.12 47.05 3.97 -1.32 47.21 2 0 1000.00 -999 ? >TYR.H 12 5.96 -7.44 48.88 3.50 -7.54 50.22 4.73 -7.49 49.55 3 0 1000.00 -999 ? >SER^H 13 7.17 -11.68 47.67 7.95 -12.80 45.64 7.56 -12.24 46.65 2 0 1000.00 -999 ? >GLU^H 14 3.33 -12.58 51.03 2.79 -11.10 52.48 3.06 -11.84 51.75 2 0 1000.00 -999 ? >ALA^H 15 8.80 -15.19 51.24 8.48 -16.48 51.96 8.64 -15.83 51.60 2 0 1000.00 -999 ? >VAL^H 16 11.88 -15.88 49.14 12.71 -14.43 47.69 12.30 -15.16 48.42 3 0 1000.00 -999 ? >GLY^H 17 13.93 -19.09 49.38 14.09 -18.63 48.71 14.01 -18.86 49.04 1 0 1000.00 -999 ? >ALA^H 18 17.49 -19.90 48.31 18.29 -18.63 48.08 17.89 -19.26 48.19 2 0 1000.00 -999 ? >ASN.H 19 20.80 -22.98 48.54 21.43 -23.90 46.71 21.11 -23.44 47.63 2 0 1000.00 -999 ? >GLY.H 20 17.54 -23.94 52.14 17.55 -23.18 51.89 17.55 -23.56 52.01 1 0 1000.00 -999 ? >LEU^H 21 18.66 -19.31 53.18 20.36 -18.76 54.41 19.51 -19.03 53.79 3 0 1000.00 -999 ? >ILE^H 22 13.16 -19.18 54.51 12.14 -20.02 54.63 12.65 -19.60 54.57 3 0 1000.00 -999 ? >PHE^H 23 16.09 -13.97 53.01 18.85 -14.42 53.19 17.47 -14.20 53.10 3 0 1000.00 -999 ? >LEU^H 24 9.62 -13.81 56.16 8.71 -15.76 56.59 9.17 -14.78 56.37 3 0 1000.00 -999 ? >SER.H 25 9.04 -10.01 54.01 8.26 -9.75 51.75 8.65 -9.88 52.88 2 0 1000.00 -999 ? >GLY.H 26 8.37 -7.69 56.95 7.84 -8.12 56.40 8.10 -7.90 56.68 1 0 1000.00 -999 ? >MET?H 27 5.17 -8.97 58.53 4.43 -11.71 56.67 4.80 -10.34 57.60 2 0 1000.00 -999 ? >VAL.H 28 2.71 -6.27 59.56 3.06 -4.92 57.87 2.88 -5.60 58.71 3 0 1000.00 -999 ? >PRO.H 29 0.55 -4.80 62.98 0.10 -6.20 61.28 0.32 -5.50 62.13 3 0 1000.00 -999 ? >GLU.H 30 -2.76 -8.73 57.79 -2.86 -10.55 56.73 -2.81 -9.64 57.26 2 0 1000.00 -999 ? >ASN.H 31 -6.38 -8.96 63.16 -7.40 -9.75 61.45 -6.89 -9.35 62.30 2 0 1000.00 -999 ? >GLY.H 32 -5.67 -6.18 66.45 -5.76 -5.66 65.83 -5.72 -5.92 66.14 1 0 1000.00 -999 ? >GLU.H 33 -6.56 -0.94 69.42 -6.93 0.73 68.16 -6.75 -0.11 68.79 2 0 1000.00 -999 ? >THR~H 34 -2.86 -3.15 70.94 -3.93 -4.17 72.55 -3.40 -3.66 71.74 2 0 1000.00 -999 ? >ALA~H 35 0.82 -4.14 70.77 1.92 -3.58 71.66 1.37 -3.86 71.21 2 0 1000.00 -999 ? >ALA~H 36 -0.01 -7.56 72.23 -0.69 -7.77 73.59 -0.35 -7.67 72.91 2 0 1000.00 -999 ? >GLU~H 37 -5.05 -7.53 70.86 -6.42 -5.92 70.98 -5.73 -6.72 70.92 2 0 1000.00 -999 ? >GLN~H 38 -1.61 -4.72 66.23 -1.13 -2.78 65.46 -1.37 -3.75 65.84 2 0 1000.00 -999 ? >THR~H 39 2.31 -9.06 67.78 3.89 -8.70 69.23 3.10 -8.88 68.51 2 0 1000.00 -999 ? >ALA~H 40 0.04 -12.14 68.02 -1.16 -12.27 68.95 -0.56 -12.21 68.48 2 0 1000.00 -999 ? >ASP~H 41 -2.14 -10.26 64.08 -2.70 -10.34 62.04 -2.42 -10.30 63.06 2 0 1000.00 -999 ? >VAL~H 42 2.21 -10.89 63.10 3.62 -9.19 63.03 2.91 -10.04 63.07 3 0 1000.00 -999 ? >LEU~H 43 3.88 -14.39 66.07 5.43 -13.61 67.35 4.66 -14.00 66.71 3 0 1000.00 -999 ? >ALA~H 44 0.66 -16.03 63.30 -0.80 -15.73 63.63 -0.07 -15.88 63.46 2 0 1000.00 -999 ? >GLN~H 45 0.20 -12.62 59.22 0.40 -10.59 58.59 0.30 -11.60 58.90 2 0 1000.00 -999 ? >ILE~H 46 6.01 -15.28 61.47 7.09 -14.64 61.99 6.55 -14.96 61.73 3 0 1000.00 -999 ? >ASP~H 47 2.93 -19.66 62.53 3.83 -19.74 64.46 3.38 -19.70 63.49 2 0 1000.00 -999 ? >ARG~H 48 -0.52 -17.39 56.11 -0.31 -18.07 53.09 -0.41 -17.73 54.60 2 0 1000.00 -999 ? >TRP~H 49 3.33 -15.28 55.26 2.39 -16.45 51.63 2.86 -15.86 53.45 3 0 1000.00 -999 ? >LEU~H 50 7.68 -20.54 58.94 9.25 -19.29 59.75 8.46 -19.92 59.35 3 0 1000.00 -999 ? >ALA~H 51 5.07 -23.68 57.10 3.73 -23.86 57.78 4.40 -23.77 57.44 2 0 1000.00 -999 ? >GLU~H 52 3.50 -21.33 51.56 1.41 -21.51 51.41 2.45 -21.42 51.49 2 0 1000.00 -999 ? >CYH~H 53 8.31 -22.58 53.02 8.50 -19.84 52.56 8.40 -21.21 52.79 2 0 1000.00 -999 ? >GLY.H 54 8.98 -25.94 54.72 9.09 -25.20 55.09 9.03 -25.57 54.91 1 0 1000.00 -999 ? >SER.H 55 10.07 -24.32 57.98 11.60 -22.67 58.91 10.84 -23.49 58.44 2 0 1000.00 -999 ? >ASP~H 56 8.25 -24.80 62.19 9.85 -26.05 62.83 9.05 -25.42 62.51 2 0 1000.00 -999 ? >LYS~H 57 9.40 -21.21 64.41 5.00 -21.74 68.92 7.20 -21.47 66.67 2 0 1000.00 -999 ? >ALA~H 58 11.91 -23.74 65.79 11.54 -25.14 66.28 11.72 -24.44 66.04 2 0 1000.00 -999 ? >HIS.H 59 13.87 -25.58 61.87 14.00 -27.57 62.55 13.93 -26.58 62.21 3 0 1000.00 -999 ? >VAL^H 60 14.15 -19.35 62.68 12.59 -17.82 63.01 13.37 -18.58 62.85 3 0 1000.00 -999 ? >LEU^H 61 18.62 -18.08 61.42 19.25 -19.85 60.27 18.94 -18.96 60.84 3 0 1000.00 -999 ? >ASP^H 62 18.03 -13.52 61.75 18.67 -11.59 62.30 18.35 -12.56 62.03 2 0 1000.00 -999 ? >ALA^H 63 14.35 -11.82 63.83 13.37 -12.43 64.83 13.86 -12.12 64.33 2 0 1000.00 -999 ? >VAL^H 64 14.40 -8.03 63.61 15.77 -6.88 62.35 15.09 -7.45 62.98 3 0 1000.00 -999 ? >ILE^H 65 11.13 -7.03 66.92 10.41 -7.88 67.80 10.77 -7.46 67.36 3 0 1000.00 -999 ? >TYR^H 66 11.58 -2.84 62.38 13.70 -3.62 60.71 12.64 -3.23 61.55 3 0 1000.00 -999 ? >LEU^H 67 8.46 -1.25 68.69 7.95 -3.00 69.88 8.20 -2.13 69.28 3 0 1000.00 -999 ? >ARG.H 68 3.19 4.18 65.77 2.88 6.45 63.69 3.03 5.31 64.73 2 0 1000.00 -999 ? >ASP~H 69 5.58 3.61 70.68 5.79 4.84 72.38 5.69 4.22 71.53 2 0 1000.00 -999 ? >MET?H 70 9.50 1.51 72.38 11.98 -0.69 72.41 10.74 0.41 72.39 2 0 1000.00 -999 ? >GLY~H 71 7.01 1.93 75.25 7.04 1.37 74.64 7.03 1.65 74.95 1 0 1000.00 -999 ? >ASP~H 72 4.72 -1.24 72.44 2.95 -0.08 72.37 3.84 -0.66 72.40 2 0 1000.00 -999 ? >TYR~H 73 11.05 -3.62 74.94 13.26 -5.34 74.77 12.16 -4.48 74.86 3 0 1000.00 -999 ? >ALA~H 74 7.18 -5.22 77.50 6.83 -4.64 78.86 7.00 -4.93 78.18 2 0 1000.00 -999 ? >GLU~H 75 1.95 -4.50 76.84 0.62 -5.79 77.90 1.29 -5.15 77.37 2 0 1000.00 -999 ? >MET?H 76 5.38 -7.27 72.70 8.44 -8.16 70.92 6.91 -7.71 71.81 2 0 1000.00 -999 ? >ASN~H 77 8.81 -8.75 75.82 10.60 -7.89 75.04 9.71 -8.32 75.43 2 0 1000.00 -999 ? >GLY~H 78 4.94 -10.93 76.59 5.19 -11.00 75.79 5.06 -10.96 76.19 1 0 1000.00 -999 ? >VAL~H 79 3.59 -12.42 73.36 1.95 -11.73 72.06 2.77 -12.07 72.71 3 0 1000.00 -999 ? >TRP~H 80 10.46 -13.03 71.99 11.04 -13.43 68.13 10.75 -13.23 70.06 3 0 1000.00 -999 ? >ASP~H 81 8.44 -14.48 76.28 10.06 -13.11 76.51 9.25 -13.80 76.39 2 0 1000.00 -999 ? >ALA~H 82 5.22 -17.27 74.81 3.84 -16.76 75.24 4.53 -17.01 75.02 2 0 1000.00 -999 ? >TRP~H 83 4.36 -17.92 67.90 7.68 -17.07 65.97 6.02 -17.49 66.93 3 0 1000.00 -999 ? >VAL~H 84 9.25 -18.92 70.66 10.49 -17.26 71.45 9.87 -18.09 71.05 3 0 1000.00 -999 ? >ALA.H 85 10.39 -22.55 70.84 10.78 -23.42 69.64 10.58 -22.98 70.24 2 0 1000.00 -999 ? >ALA.H 86 12.14 -23.14 74.18 11.49 -23.82 75.38 11.82 -23.48 74.78 2 0 1000.00 -999 ? >GLY.H 87 15.85 -23.90 73.71 15.40 -23.49 73.16 15.63 -23.69 73.44 1 0 1000.00 -999 ? >ARG.H 88 14.58 -26.31 68.51 16.49 -27.08 66.24 15.53 -26.69 67.37 2 0 1000.00 -999 ? >THR.H 89 15.15 -19.12 70.35 15.22 -18.75 72.49 15.18 -18.94 71.42 2 0 1000.00 -999 ? >PRO.H 90 14.34 -16.23 67.12 16.10 -17.40 67.91 15.22 -16.82 67.52 3 0 1000.00 -999 ? >ALA^H 91 18.91 -14.20 67.13 20.01 -13.98 66.10 19.46 -14.09 66.61 2 0 1000.00 -999 ? >ARG^H 92 13.76 -11.01 70.20 12.49 -9.24 72.37 13.12 -10.12 71.28 2 0 1000.00 -999 ? >ALA^H 93 17.17 -7.32 67.61 18.13 -6.80 66.56 17.65 -7.06 67.08 2 0 1000.00 -999 ? >CYH^H 94 14.47 -4.84 68.55 12.21 -4.18 70.10 13.34 -4.51 69.33 2 0 1000.00 -999 ? >VAL^H 95 14.64 -1.18 67.54 15.98 -1.39 65.79 15.31 -1.29 66.67 3 0 1000.00 -999 ? >GLU^H 96 10.70 3.56 68.29 10.63 5.19 69.62 10.66 4.38 68.95 2 0 1000.00 -999 ? >ALA.H 97 10.97 2.70 63.81 11.77 1.94 62.76 11.37 2.32 63.28 2 0 1000.00 -999 ? >ARG.H 98 7.06 7.82 63.13 6.02 9.54 65.45 6.54 8.68 64.29 2 0 1000.00 -999 ? >LEU.H 99 5.23 0.51 60.52 6.37 -0.85 61.82 5.80 -0.17 61.17 3 0 1000.00 -999 ? >ALA.H 100 3.97 2.23 56.65 3.86 1.18 55.55 3.92 1.71 56.10 2 0 1000.00 -999 ? >ARG.H 101 -2.17 1.79 56.31 -2.37 -0.34 54.11 -2.27 0.72 55.21 2 0 1000.00 -999 ? >PRO.H 102 -0.75 6.59 60.43 0.10 4.65 61.14 -0.33 5.62 60.79 3 0 1000.00 -999 ? >GLU.H 103 -4.15 2.56 61.97 -3.67 2.58 59.91 -3.91 2.57 60.94 2 0 1000.00 -999 ? >TRP.H 104 -0.73 -1.43 60.64 0.95 -1.75 57.09 0.11 -1.59 58.87 3 0 1000.00 -999 ? >ARG.H 105 0.14 0.01 69.13 0.97 2.94 69.73 0.56 1.48 69.43 2 0 1000.00 -999 ? >VAL^H 106 4.93 -3.75 65.32 4.57 -5.71 66.27 4.75 -4.73 65.79 3 0 1000.00 -999 ? >GLU^H 107 7.41 -5.06 59.91 7.55 -3.76 58.27 7.48 -4.41 59.09 2 0 1000.00 -999 ? >ILE^H 108 8.36 -9.54 63.45 8.36 -10.23 64.75 8.36 -9.88 64.10 3 0 1000.00 -999 ? >LYS^H 109 11.38 -9.49 59.82 14.74 -9.41 55.70 13.06 -9.45 57.76 2 0 1000.00 -999 ? >ILE^H 110 11.25 -14.19 59.92 11.37 -14.84 61.25 11.31 -14.51 60.59 3 0 1000.00 -999 ? >THR^H 111 15.31 -15.18 58.36 17.21 -14.45 57.63 16.26 -14.82 58.00 2 0 1000.00 -999 ? >ALA^H 112 14.82 -18.95 58.64 13.35 -19.33 58.83 14.09 -19.14 58.73 2 0 1000.00 -999 ? >VAL^H 113 16.01 -22.30 57.28 17.59 -23.64 58.05 16.80 -22.97 57.66 3 0 1000.00 -999 ? >LYS.H 114 14.11 -25.19 55.69 12.16 -27.19 50.60 13.14 -26.19 53.15 2 0 1000.00 -999 ? >ARG.H 115 10.47 -28.49 60.00 8.19 -28.50 57.95 9.33 -28.49 58.97 2 0 1000.00 -999 ? >ASP.H 116 16.26 -30.76 55.33 17.88 -29.45 54.87 17.07 -30.11 55.10 2 0 1000.00 -999 ? >MET?I 1 32.67 -20.75 52.63 29.37 -20.65 53.29 31.02 -20.70 52.96 2 0 1000.00 -999 ? >ASP.I 2 35.71 -18.77 49.43 36.91 -20.52 49.55 36.31 -19.65 49.49 2 0 1000.00 -999 ? >ILE^I 3 34.67 -13.93 52.47 34.28 -13.50 53.76 34.47 -13.71 53.11 3 0 1000.00 -999 ? >ARG^I 4 34.62 -13.91 44.86 34.27 -12.44 42.18 34.45 -13.17 43.52 2 0 1000.00 -999 ? >TYR^I 5 36.04 -8.67 51.31 36.02 -10.16 53.69 36.03 -9.42 52.50 3 0 1000.00 -999 ? >PHE^I 6 32.63 -7.45 45.14 32.50 -10.10 44.24 32.56 -8.78 44.69 3 0 1000.00 -999 ? >GLY^I 7 34.56 -1.93 46.61 34.79 -2.50 47.18 34.68 -2.22 46.89 1 0 1000.00 -999 ? >THR^I 8 36.51 -2.24 49.84 37.44 -4.01 50.67 36.97 -3.12 50.26 2 0 1000.00 -999 ? >THR.I 9 37.19 0.92 51.86 35.33 2.07 51.80 36.26 1.49 51.83 2 0 1000.00 -999 ? >PRO.I 10 39.98 3.08 54.44 38.55 1.36 54.65 39.26 2.22 54.55 3 0 1000.00 -999 ? >ARG.I 11 32.68 4.26 57.63 33.57 7.09 58.43 33.13 5.67 58.03 2 0 1000.00 -999 ? >TYR.I 12 31.50 0.72 53.76 31.21 2.84 51.96 31.36 1.78 52.86 3 0 1000.00 -999 ? >SER^I 13 32.83 -3.04 51.48 34.63 -4.66 51.67 33.73 -3.85 51.57 2 0 1000.00 -999 ? >GLU^I 14 30.92 0.01 47.81 29.56 1.59 48.31 30.24 0.80 48.06 2 0 1000.00 -999 ? >ALA^I 15 29.43 -5.79 48.48 29.15 -6.16 47.03 29.29 -5.98 47.76 2 0 1000.00 -999 ? >VAL^I 16 30.49 -9.00 50.16 31.35 -8.91 52.16 30.92 -8.95 51.16 3 0 1000.00 -999 ? >GLY^I 17 29.95 -12.44 48.61 30.46 -12.37 49.26 30.21 -12.40 48.94 1 0 1000.00 -999 ? >ALA^I 18 29.98 -15.83 50.35 29.98 -15.68 51.86 29.98 -15.76 51.10 2 0 1000.00 -999 ? >ASN.I 19 28.64 -20.09 50.08 28.21 -22.13 49.61 28.43 -21.11 49.85 2 0 1000.00 -999 ? >GLY.I 20 26.64 -17.69 46.22 26.79 -17.29 46.90 26.72 -17.49 46.56 1 0 1000.00 -999 ? >LEU^I 21 24.94 -15.33 50.13 23.20 -16.14 51.14 24.07 -15.74 50.63 3 0 1000.00 -999 ? >ILE^I 22 25.50 -10.88 46.61 25.90 -10.50 45.32 25.70 -10.69 45.96 3 0 1000.00 -999 ? >PHE^I 23 25.38 -10.44 52.81 24.23 -12.76 53.89 24.80 -11.60 53.35 3 0 1000.00 -999 ? >LEU^I 24 24.23 -4.79 48.64 24.44 -5.22 46.51 24.34 -5.01 47.57 3 0 1000.00 -999 ? >SER.I 25 26.00 -2.26 51.90 28.34 -1.86 52.49 27.17 -2.06 52.19 2 0 1000.00 -999 ? >GLY.I 26 23.14 0.17 52.42 23.88 0.19 51.97 23.51 0.18 52.20 1 0 1000.00 -999 ? >MET?I 27 22.94 2.03 49.12 25.22 0.81 47.05 24.08 1.42 48.09 2 0 1000.00 -999 ? >VAL.I 28 22.51 5.72 49.54 23.58 6.74 51.16 23.05 6.23 50.35 3 0 1000.00 -999 ? >PRO.I 29 19.88 9.11 48.86 21.68 8.23 47.84 20.78 8.67 48.35 3 0 1000.00 -999 ? >GLU.I 30 26.19 8.33 45.21 27.40 7.01 44.08 26.79 7.67 44.65 2 0 1000.00 -999 ? >ASN.I 31 22.17 11.90 41.49 24.17 11.85 40.77 23.17 11.88 41.13 2 0 1000.00 -999 ? >GLY.I 32 18.61 13.78 43.26 19.15 13.96 43.83 18.88 13.87 43.55 1 0 1000.00 -999 ? >GLU.I 33 17.77 17.90 45.27 17.43 19.87 44.55 17.60 18.88 44.91 2 0 1000.00 -999 ? >THR~I 34 13.10 14.26 45.90 12.17 14.73 43.97 12.64 14.49 44.93 2 0 1000.00 -999 ? >ALA~I 35 12.19 10.78 47.18 10.96 10.45 48.00 11.58 10.62 47.59 2 0 1000.00 -999 ? >ALA~I 36 11.50 9.65 43.59 10.47 10.28 42.64 10.98 9.97 43.11 2 0 1000.00 -999 ? >GLU~I 37 14.45 13.22 41.21 14.61 15.31 41.50 14.53 14.27 41.35 2 0 1000.00 -999 ? >GLN~I 38 17.34 11.41 46.56 17.76 12.09 48.53 17.55 11.75 47.55 2 0 1000.00 -999 ? >THR~I 39 15.13 6.07 44.91 13.22 5.34 45.64 14.17 5.71 45.28 2 0 1000.00 -999 ? >ALA~I 40 15.97 5.80 41.19 15.51 6.77 40.10 15.74 6.29 40.65 2 0 1000.00 -999 ? >ASP~I 41 20.12 7.95 42.58 22.22 8.02 42.72 21.17 7.99 42.65 2 0 1000.00 -999 ? >VAL~I 42 19.90 4.08 44.72 19.44 4.03 46.86 19.67 4.06 45.79 3 0 1000.00 -999 ? >LEU~I 43 16.76 1.47 42.01 15.19 0.57 43.27 15.98 1.02 42.64 3 0 1000.00 -999 ? >ALA~I 44 20.69 2.27 39.67 20.84 3.60 38.94 20.77 2.93 39.31 2 0 1000.00 -999 ? >GLN~I 45 24.26 3.91 43.36 24.50 4.92 45.19 24.38 4.41 44.27 2 0 1000.00 -999 ? >ILE~I 46 20.68 -1.81 43.76 19.82 -2.10 44.75 20.25 -1.96 44.25 3 0 1000.00 -999 ? >ASP~I 47 21.10 -1.83 38.27 19.02 -2.19 38.27 20.06 -2.01 38.27 2 0 1000.00 -999 ? >ARG~I 48 26.33 1.83 37.57 24.71 3.96 39.08 25.52 2.89 38.32 2 0 1000.00 -999 ? >TRP~I 49 27.22 -0.69 44.03 31.02 -1.70 44.18 29.12 -1.19 44.10 3 0 1000.00 -999 ? >LEU~I 50 23.09 -6.67 41.09 21.68 -7.06 42.71 22.38 -6.86 41.90 3 0 1000.00 -999 ? >ALA~I 51 26.17 -6.76 37.76 26.06 -5.68 36.70 26.12 -6.22 37.23 2 0 1000.00 -999 ? >GLU~I 52 31.26 -4.53 39.55 33.13 -5.48 39.35 32.19 -5.00 39.45 2 0 1000.00 -999 ? >CYH~I 53 29.01 -9.44 41.58 29.07 -7.91 43.94 29.04 -8.67 42.76 2 0 1000.00 -999 ? >GLY.I 54 27.52 -11.62 38.79 27.03 -11.21 39.30 27.27 -11.42 39.05 1 0 1000.00 -999 ? >SER.I 55 23.87 -11.01 39.63 22.39 -11.22 41.56 23.13 -11.11 40.60 2 0 1000.00 -999 ? >ASP~I 56 20.47 -9.17 37.24 19.78 -11.17 37.00 20.13 -10.17 37.12 2 0 1000.00 -999 ? >LYS~I 57 17.61 -7.49 40.15 14.70 -3.48 36.22 16.15 -5.49 38.19 2 0 1000.00 -999 ? >ALA~I 58 15.81 -10.73 39.22 15.66 -11.20 37.76 15.73 -10.97 38.49 2 0 1000.00 -999 ? >HIS.I 59 19.25 -13.92 39.97 18.98 -15.12 38.28 19.11 -14.52 39.13 3 0 1000.00 -999 ? >VAL^I 60 17.50 -10.22 44.74 17.47 -8.04 44.96 17.49 -9.13 44.85 3 0 1000.00 -999 ? >LEU^I 61 17.27 -13.03 48.62 18.25 -14.89 48.09 17.76 -13.96 48.36 3 0 1000.00 -999 ? >ASP^I 62 16.38 -9.98 51.62 15.61 -9.07 53.35 16.00 -9.52 52.48 2 0 1000.00 -999 ? >ALA^I 63 15.42 -5.64 50.44 14.87 -5.10 49.13 15.15 -5.37 49.78 2 0 1000.00 -999 ? >VAL^I 64 15.16 -3.41 53.51 15.70 -3.97 55.56 15.43 -3.69 54.54 3 0 1000.00 -999 ? >ILE^I 65 12.97 0.31 51.61 12.45 0.43 50.33 12.71 0.37 50.97 3 0 1000.00 -999 ? >TYR^I 66 16.64 1.78 56.41 17.63 -0.63 57.42 17.13 0.58 56.92 3 0 1000.00 -999 ? >LEU^I 67 11.40 6.25 54.17 10.47 5.91 52.26 10.94 6.08 53.22 3 0 1000.00 -999 ? >ARG.I 68 15.39 12.93 56.26 16.75 14.32 58.64 16.07 13.62 57.45 2 0 1000.00 -999 ? >ASP~I 69 9.91 11.72 55.89 8.14 12.62 56.62 9.02 12.17 56.25 2 0 1000.00 -999 ? >MET?I 70 7.27 7.73 55.90 6.74 4.47 55.48 7.01 6.10 55.69 2 0 1000.00 -999 ? >GLY~I 71 5.45 10.55 54.09 6.03 10.01 53.85 5.74 10.28 53.97 1 0 1000.00 -999 ? >ASP~I 72 9.13 9.70 51.10 9.72 11.72 51.39 9.42 10.71 51.24 2 0 1000.00 -999 ? >TYR~I 73 4.93 3.92 51.99 4.69 1.13 52.01 4.81 2.52 52.00 3 0 1000.00 -999 ? >ALA~I 74 3.96 6.24 47.82 2.63 6.98 47.74 3.29 6.61 47.78 2 0 1000.00 -999 ? >GLU~I 75 7.72 10.43 45.21 8.39 12.36 45.81 8.06 11.39 45.51 2 0 1000.00 -999 ? >MET?I 76 9.29 5.64 46.80 10.30 2.42 48.02 9.79 4.03 47.41 2 0 1000.00 -999 ? >ASN~I 77 5.64 2.42 46.53 5.82 1.51 48.46 5.73 1.97 47.49 2 0 1000.00 -999 ? >GLY~I 78 6.21 4.35 42.47 6.93 4.04 42.75 6.57 4.19 42.61 1 0 1000.00 -999 ? >VAL~I 79 9.84 4.01 41.39 11.51 5.43 41.38 10.68 4.72 41.39 3 0 1000.00 -999 ? >TRP~I 80 9.09 -1.93 45.04 12.61 -3.25 46.16 10.85 -2.59 45.60 3 0 1000.00 -999 ? >ASP~I 81 5.85 -0.44 41.59 4.99 -0.80 43.52 5.42 -0.62 42.56 2 0 1000.00 -999 ? >ALA~I 82 8.54 0.10 37.99 8.63 1.56 37.49 8.58 0.83 37.74 2 0 1000.00 -999 ? >TRP~I 83 15.32 -0.90 38.93 16.06 -3.30 41.96 15.69 -2.10 40.45 3 0 1000.00 -999 ? >VAL~I 84 11.38 -4.83 40.22 10.05 -4.72 41.96 10.72 -4.77 41.09 3 0 1000.00 -999 ? >ALA.I 85 11.39 -7.86 37.90 12.59 -8.79 37.70 11.99 -8.32 37.80 2 0 1000.00 -999 ? >ALA.I 86 7.86 -9.14 37.33 7.07 -8.93 36.03 7.46 -9.03 36.68 2 0 1000.00 -999 ? >GLY.I 87 7.14 -12.47 39.07 7.76 -11.99 39.28 7.45 -12.23 39.18 1 0 1000.00 -999 ? >ARG.I 88 12.71 -13.97 37.98 14.45 -16.24 39.11 13.58 -15.11 38.55 2 0 1000.00 -999 ? >THR.I 89 9.98 -9.64 43.39 7.92 -9.07 43.06 8.95 -9.35 43.22 2 0 1000.00 -999 ? >PRO.I 90 12.97 -7.89 46.17 11.76 -9.76 45.97 12.36 -8.83 46.07 3 0 1000.00 -999 ? >ALA^I 91 11.17 -10.13 50.24 11.74 -11.06 51.29 11.46 -10.60 50.77 2 0 1000.00 -999 ? >ARG^I 92 9.64 -3.64 49.18 7.92 -1.10 49.24 8.78 -2.37 49.21 2 0 1000.00 -999 ? >ALA^I 93 10.52 -4.38 54.60 11.28 -4.90 55.81 10.90 -4.64 55.21 2 0 1000.00 -999 ? >CYH^I 94 10.06 -0.61 54.76 9.42 1.76 53.45 9.74 0.58 54.10 2 0 1000.00 -999 ? >VAL^I 95 10.58 1.35 57.98 11.71 -0.20 59.10 11.14 0.58 58.54 3 0 1000.00 -999 ? >GLU^I 96 10.39 7.39 59.17 8.98 8.64 60.10 9.68 8.01 59.63 2 0 1000.00 -999 ? >ALA.I 97 14.65 5.83 60.10 15.48 4.59 60.28 15.06 5.21 60.19 2 0 1000.00 -999 ? >ARG.I 98 16.04 12.02 61.95 13.73 14.00 62.40 14.89 13.01 62.17 2 0 1000.00 -999 ? >LEU.I 99 19.84 8.26 56.19 18.39 6.83 55.32 19.12 7.55 55.76 3 0 1000.00 -999 ? >ALA.I 100 23.64 9.62 58.01 24.84 8.79 57.56 24.24 9.20 57.79 2 0 1000.00 -999 ? >ARG.I 101 25.87 14.12 53.97 27.85 12.67 52.11 26.86 13.40 53.04 2 0 1000.00 -999 ? >PRO.I 102 21.12 16.40 57.75 20.47 14.74 56.37 20.80 15.57 57.06 3 0 1000.00 -999 ? >GLU.I 103 21.27 17.05 52.26 23.11 16.20 52.92 22.19 16.63 52.59 2 0 1000.00 -999 ? >TRP.I 104 21.94 11.55 51.16 24.75 9.47 52.97 23.35 10.51 52.06 3 0 1000.00 -999 ? >ARG.I 105 13.53 13.54 50.60 12.51 14.78 53.22 13.02 14.16 51.91 2 0 1000.00 -999 ? >VAL^I 106 15.93 6.77 51.15 15.45 5.96 49.13 15.69 6.36 50.14 3 0 1000.00 -999 ? >GLU^I 107 20.57 3.20 53.12 21.92 3.54 54.74 21.24 3.37 53.93 2 0 1000.00 -999 ? >ILE^I 108 17.44 0.32 49.02 16.33 0.08 48.11 16.88 0.20 48.56 3 0 1000.00 -999 ? >LYS^I 109 19.88 -2.60 51.78 22.50 -5.80 55.16 21.19 -4.20 53.47 2 0 1000.00 -999 ? >ILE^I 110 20.30 -5.26 48.02 19.12 -5.47 47.09 19.71 -5.36 47.55 3 0 1000.00 -999 ? >THR^I 111 20.71 -9.34 49.89 20.76 -10.38 51.80 20.74 -9.86 50.85 2 0 1000.00 -999 ? >ALA^I 112 21.03 -11.29 46.65 21.39 -10.33 45.53 21.21 -10.81 46.09 2 0 1000.00 -999 ? >VAL^I 113 22.37 -14.37 44.91 21.25 -16.23 44.52 21.81 -15.30 44.71 3 0 1000.00 -999 ? >LYS.I 114 24.70 -14.97 41.94 30.66 -15.83 42.94 27.68 -15.40 42.44 2 0 1000.00 -999 ? >ARG.I 115 22.76 -14.30 35.67 24.63 -11.86 35.63 23.69 -13.08 35.65 2 0 1000.00 -999 ? >ASP.I 116 23.86 -21.44 38.39 23.04 -21.64 40.34 23.45 -21.54 39.36 2 0 1000.00 -999 ? >MET?J 1 0.18 48.96 73.92 -1.47 46.57 75.76 -0.65 47.77 74.84 2 0 1000.00 -999 ? >ASP.J 2 3.99 51.83 73.42 2.54 53.39 73.35 3.27 52.61 73.38 2 0 1000.00 -999 ? >ILE.J 3 5.74 46.94 70.49 5.26 45.66 69.87 5.50 46.30 70.18 3 0 1000.00 -999 ? >ARG^J 4 11.68 50.06 74.14 13.66 50.91 76.33 12.67 50.48 75.24 2 0 1000.00 -999 ? >TYR^J 5 10.82 45.51 68.70 8.28 45.36 67.51 9.55 45.43 68.10 3 0 1000.00 -999 ? >PHE^J 6 14.71 44.85 74.77 13.46 46.67 76.49 14.09 45.76 75.63 3 0 1000.00 -999 ? >GLY^J 7 18.36 42.55 70.60 17.67 42.84 70.26 18.01 42.70 70.43 1 0 1000.00 -999 ? >THR^J 8 16.76 42.99 67.18 15.19 44.37 66.56 15.98 43.68 66.87 2 0 1000.00 -999 ? >THR.J 9 18.14 41.00 64.24 18.56 39.02 65.07 18.35 40.01 64.65 2 0 1000.00 -999 ? >PRO.J 10 18.99 40.85 59.94 17.17 40.72 61.25 18.08 40.79 60.59 3 0 1000.00 -999 ? >ARG.J 11 16.03 33.72 61.65 18.19 32.67 59.73 17.11 33.20 60.69 2 0 1000.00 -999 ? >TYR.J 12 15.59 36.23 66.49 18.26 35.64 67.11 16.92 35.93 66.80 3 0 1000.00 -999 ? >SER^J 13 14.42 39.99 68.63 13.50 42.13 67.86 13.96 41.06 68.24 2 0 1000.00 -999 ? >GLU^J 14 18.43 38.49 71.42 18.97 36.44 71.20 18.70 37.46 71.31 2 0 1000.00 -999 ? >ALA^J 15 13.11 40.19 73.76 13.66 40.63 75.09 13.39 40.40 74.43 2 0 1000.00 -999 ? >VAL^J 16 9.88 42.10 73.03 8.92 41.92 71.02 9.40 42.01 72.02 3 0 1000.00 -999 ? >GLY^J 17 7.99 44.19 75.61 7.78 44.36 74.85 7.88 44.27 75.23 1 0 1000.00 -999 ? >ALA^J 18 4.36 45.37 75.56 3.69 44.81 74.31 4.03 45.09 74.93 2 0 1000.00 -999 ? >ASN.J 19 0.65 46.18 78.11 -0.76 46.75 79.62 -0.05 46.46 78.87 2 0 1000.00 -999 ? >GLY.J 20 4.41 45.24 81.20 4.30 44.85 80.51 4.35 45.04 80.86 1 0 1000.00 -999 ? >LEU^J 21 3.50 41.13 78.77 1.94 39.91 79.64 2.72 40.52 79.20 3 0 1000.00 -999 ? >ILE^J 22 9.16 40.67 79.30 10.14 41.26 79.98 9.65 40.97 79.64 3 0 1000.00 -999 ? >PHE^J 23 6.06 37.72 74.72 3.34 37.52 75.40 4.70 37.62 75.06 3 0 1000.00 -999 ? >LEU^J 24 12.73 35.76 76.28 13.56 36.94 77.94 13.15 36.35 77.11 3 0 1000.00 -999 ? >SER.J 25 12.99 34.35 72.09 13.57 35.74 70.16 13.28 35.04 71.13 2 0 1000.00 -999 ? >GLY.J 26 13.87 30.70 72.64 14.32 31.43 72.51 14.09 31.07 72.57 1 0 1000.00 -999 ? >MET?J 27 17.28 30.73 74.28 17.92 34.06 74.75 17.60 32.40 74.52 2 0 1000.00 -999 ? >VAL.J 28 19.75 28.26 72.82 19.29 28.50 70.70 19.52 28.38 71.76 3 0 1000.00 -999 ? >PRO.J 29 22.00 24.96 74.33 22.45 27.12 73.94 22.23 26.04 74.13 3 0 1000.00 -999 ? >GLU.J 30 25.05 31.47 72.80 24.88 33.51 73.37 24.97 32.49 73.09 2 0 1000.00 -999 ? >ASN.J 31 29.25 28.08 76.55 30.01 29.92 75.78 29.63 29.00 76.17 2 0 1000.00 -999 ? >GLY.J 32 28.82 23.72 77.00 28.75 23.76 76.21 28.79 23.74 76.61 1 0 1000.00 -999 ? >GLU.J 33 30.88 19.76 75.09 30.80 19.24 73.04 30.84 19.50 74.06 2 0 1000.00 -999 ? >THR~J 34 26.41 18.36 78.64 27.67 18.15 80.38 27.04 18.25 79.51 2 0 1000.00 -999 ? >ALA~J 35 22.73 19.10 79.35 21.68 18.05 79.67 22.21 18.57 79.51 2 0 1000.00 -999 ? >ALA~J 36 23.76 20.63 82.71 24.51 19.88 83.84 24.14 20.26 83.27 2 0 1000.00 -999 ? >GLU~J 37 28.63 21.88 81.27 30.25 21.01 80.20 29.44 21.45 80.73 2 0 1000.00 -999 ? >GLN~J 38 24.61 22.55 76.34 24.01 21.65 74.51 24.31 22.10 75.42 2 0 1000.00 -999 ? >THR~J 39 20.98 24.61 80.72 19.49 23.33 81.65 20.24 23.97 81.18 2 0 1000.00 -999 ? >ALA~J 40 23.25 26.87 82.82 24.48 26.42 83.60 23.87 26.65 83.21 2 0 1000.00 -999 ? >ASP~J 41 25.06 28.25 78.50 25.36 29.70 76.99 25.21 28.97 77.75 2 0 1000.00 -999 ? >VAL~J 42 20.67 29.15 78.55 19.23 27.93 77.44 19.95 28.54 78.00 3 0 1000.00 -999 ? >LEU~J 43 19.37 29.51 83.23 17.71 28.14 83.66 18.54 28.82 83.45 3 0 1000.00 -999 ? >ALA~J 44 22.38 32.88 82.14 23.86 32.55 81.98 23.12 32.71 82.06 2 0 1000.00 -999 ? >GLN~J 45 22.26 33.14 76.83 21.93 32.04 75.05 22.10 32.59 75.94 2 0 1000.00 -999 ? >ILE~J 46 16.78 33.33 80.73 15.76 32.43 80.66 16.27 32.88 80.70 3 0 1000.00 -999 ? >ASP~J 47 20.14 35.81 84.31 19.36 34.46 85.73 19.75 35.14 85.02 2 0 1000.00 -999 ? >ARG~J 48 21.78 39.58 77.81 23.07 41.22 75.56 22.42 40.40 76.69 2 0 1000.00 -999 ? >TRP~J 49 18.97 37.51 76.23 19.65 40.83 74.22 19.31 39.17 75.23 3 0 1000.00 -999 ? >LEU~J 50 15.11 38.77 82.82 13.53 37.28 82.64 14.32 38.02 82.73 3 0 1000.00 -999 ? >ALA~J 51 17.60 42.49 83.47 19.03 42.25 83.92 18.31 42.37 83.69 2 0 1000.00 -999 ? >GLU~J 52 18.73 44.98 77.93 20.66 44.70 77.15 19.69 44.84 77.54 2 0 1000.00 -999 ? >CYH~J 53 13.91 44.34 79.98 13.44 42.75 77.76 13.68 43.55 78.87 2 0 1000.00 -999 ? >GLY~J 54 13.52 45.53 83.59 13.42 44.74 83.38 13.47 45.13 83.49 1 0 1000.00 -999 ? >SER.J 55 12.69 42.10 85.03 11.19 40.19 84.73 11.94 41.14 84.88 2 0 1000.00 -999 ? >ASP~J 56 14.85 39.52 88.13 13.34 40.16 89.47 14.10 39.84 88.80 2 0 1000.00 -999 ? >LYS~J 57 13.83 35.34 87.29 18.62 32.69 90.45 16.23 34.01 88.87 2 0 1000.00 -999 ? >ALA~J 58 11.51 36.00 90.25 11.97 36.71 91.53 11.74 36.36 90.89 2 0 1000.00 -999 ? >HIS.J 59 9.21 39.92 89.07 9.36 40.80 90.97 9.29 40.36 90.02 3 0 1000.00 -999 ? >VAL^J 60 8.92 34.97 85.19 10.41 33.66 84.22 9.66 34.32 84.71 3 0 1000.00 -999 ? >LEU^J 61 4.37 34.70 83.64 3.59 36.70 83.99 3.98 35.70 83.81 3 0 1000.00 -999 ? >ASP^J 62 4.82 31.34 80.92 4.11 29.60 80.00 4.47 30.47 80.46 2 0 1000.00 -999 ? >ALA^J 63 8.57 28.69 80.76 9.64 28.42 81.79 9.11 28.56 81.28 2 0 1000.00 -999 ? >VAL^J 64 8.54 26.12 77.97 7.04 25.92 76.40 7.79 26.02 77.18 3 0 1000.00 -999 ? >ILE^J 65 12.05 23.22 79.37 12.82 23.20 80.54 12.43 23.21 79.95 3 0 1000.00 -999 ? >TYR^J 66 11.09 23.39 73.17 8.83 24.97 72.67 9.96 24.18 72.92 3 0 1000.00 -999 ? >LEU^J 67 14.65 18.02 76.44 15.41 18.45 78.42 15.03 18.24 77.43 3 0 1000.00 -999 ? >ARG.J 68 19.58 16.59 70.17 19.36 15.86 67.17 19.47 16.23 68.67 2 0 1000.00 -999 ? >ASP~J 69 17.71 13.25 74.23 17.55 11.14 74.47 17.63 12.19 74.35 2 0 1000.00 -999 ? >MET?J 70 14.00 13.36 77.24 11.57 14.90 78.91 12.78 14.13 78.08 2 0 1000.00 -999 ? >GLY~J 71 16.79 11.22 78.77 16.74 12.05 78.70 16.77 11.63 78.73 1 0 1000.00 -999 ? >ASP~J 72 18.72 15.61 78.73 20.55 15.14 77.82 19.63 15.38 78.28 2 0 1000.00 -999 ? >TYR~J 73 12.79 15.21 82.72 10.59 16.42 83.96 11.69 15.82 83.34 3 0 1000.00 -999 ? >ALA~J 74 16.73 14.85 85.41 17.06 13.49 86.00 16.90 14.17 85.71 2 0 1000.00 -999 ? >GLU~J 75 22.46 16.55 83.66 23.73 16.03 82.04 23.10 16.29 82.85 2 0 1000.00 -999 ? >MET?J 76 18.26 19.68 83.22 15.23 21.61 82.72 16.74 20.64 82.97 2 0 1000.00 -999 ? >ASN~J 77 15.03 18.63 86.72 13.20 18.58 85.63 14.11 18.60 86.17 2 0 1000.00 -999 ? >GLY~J 78 19.08 19.72 88.53 18.82 20.30 88.00 18.95 20.01 88.27 1 0 1000.00 -999 ? >VAL~J 79 20.26 23.05 87.12 21.82 23.51 85.65 21.04 23.28 86.39 3 0 1000.00 -999 ? >TRP~J 80 13.37 24.19 87.12 12.44 27.10 84.63 12.90 25.65 85.87 3 0 1000.00 -999 ? >ASP~J 81 15.70 22.53 91.04 14.16 21.33 90.20 14.93 21.93 90.62 2 0 1000.00 -999 ? >ALA~J 82 18.99 25.58 91.71 20.40 25.01 91.54 19.70 25.29 91.63 2 0 1000.00 -999 ? >TRP~J 83 19.16 30.80 87.17 15.68 31.28 85.39 17.42 31.04 86.28 3 0 1000.00 -999 ? >VAL~J 84 14.57 29.39 90.14 13.34 27.65 89.61 13.95 28.52 89.87 3 0 1000.00 -999 ? >ALA.J 85 13.54 31.98 92.73 13.02 33.38 92.43 13.28 32.68 92.58 2 0 1000.00 -999 ? >ALA.J 86 12.31 30.04 95.76 13.11 29.87 97.05 12.71 29.96 96.41 2 0 1000.00 -999 ? >GLY.J 87 8.57 30.43 96.35 8.93 30.60 95.64 8.75 30.52 95.99 1 0 1000.00 -999 ? >ARG.J 88 9.03 35.91 94.27 7.03 38.07 93.38 8.03 36.99 93.82 2 0 1000.00 -999 ? >THR.J 89 8.61 29.35 90.60 8.82 27.55 91.76 8.71 28.45 91.18 2 0 1000.00 -999 ? >PRO.J 90 8.99 29.74 86.20 7.35 29.76 87.76 8.17 29.75 86.98 3 0 1000.00 -999 ? >ALA^J 91 4.36 27.94 85.18 3.19 28.51 84.42 3.77 28.23 84.80 2 0 1000.00 -999 ? >ARG^J 92 9.71 23.83 84.60 11.17 21.14 84.75 10.44 22.49 84.67 2 0 1000.00 -999 ? >ALA^J 93 6.10 22.78 80.48 5.14 23.16 79.37 5.62 22.97 79.92 2 0 1000.00 -999 ? >CYH^J 94 8.77 20.34 79.29 11.22 19.10 79.67 9.99 19.72 79.48 2 0 1000.00 -999 ? >VAL^J 95 8.60 18.56 75.99 7.06 19.26 74.56 7.83 18.91 75.27 3 0 1000.00 -999 ? >GLU^J 96 12.35 14.63 73.08 12.48 12.53 72.85 12.42 13.58 72.97 2 0 1000.00 -999 ? >ALA.J 97 11.70 18.37 70.33 10.78 19.61 70.23 11.24 18.99 70.28 2 0 1000.00 -999 ? >ARG.J 98 15.18 15.39 65.88 16.52 12.64 65.91 15.85 14.02 65.89 2 0 1000.00 -999 ? >LEU.J 99 17.12 22.47 69.09 16.21 22.42 71.10 16.67 22.45 70.09 3 0 1000.00 -999 ? >ALA.J 100 18.15 23.95 65.06 18.32 25.46 65.05 18.24 24.70 65.06 2 0 1000.00 -999 ? >ARG.J 101 24.54 24.78 65.16 24.59 27.85 64.97 24.56 26.32 65.06 2 0 1000.00 -999 ? >PRO.J 102 22.91 18.51 64.35 22.18 19.38 66.30 22.54 18.94 65.33 3 0 1000.00 -999 ? >GLU.J 103 26.66 20.44 67.89 26.24 21.82 66.34 26.45 21.13 67.12 2 0 1000.00 -999 ? >TRP.J 104 23.25 24.24 70.23 21.23 26.77 68.00 22.24 25.50 69.11 3 0 1000.00 -999 ? >ARG.J 105 22.59 16.91 74.77 24.33 15.43 76.82 23.46 16.17 75.80 2 0 1000.00 -999 ? >VAL^J 106 17.92 22.29 75.49 18.41 23.07 77.50 18.16 22.68 76.50 3 0 1000.00 -999 ? >GLU^J 107 15.11 26.89 72.64 14.77 27.00 70.55 14.94 26.95 71.59 2 0 1000.00 -999 ? >ILE^J 108 14.63 27.71 78.40 14.64 27.27 79.85 14.64 27.49 79.12 3 0 1000.00 -999 ? >LYS^J 109 11.33 30.08 76.07 7.21 32.46 73.87 9.27 31.27 74.97 2 0 1000.00 -999 ? >ILE^J 110 11.47 33.23 79.50 11.38 32.69 80.80 11.42 32.96 80.15 3 0 1000.00 -999 ? >THR^J 111 7.32 34.90 79.32 5.40 34.69 78.32 6.36 34.80 78.82 2 0 1000.00 -999 ? >ALA^J 112 7.75 37.45 82.11 9.24 37.64 82.34 8.49 37.55 82.22 2 0 1000.00 -999 ? >VAL^J 113 6.55 40.69 83.68 5.04 40.99 85.29 5.79 40.84 84.48 3 0 1000.00 -999 ? >LYS.J 114 8.33 43.97 84.46 9.40 49.17 81.73 8.86 46.57 83.10 2 0 1000.00 -999 ? >ARG.J 115 11.99 44.11 89.88 14.57 44.60 88.26 13.28 44.36 89.07 2 0 1000.00 -999 ? >ASP.J 116 4.54 47.70 87.96 3.27 48.88 86.73 3.90 48.29 87.35 2 0 1000.00 -999 ? >MET?K 1 -10.71 41.70 80.62 -7.53 41.90 81.54 -9.12 41.80 81.08 2 0 1000.00 -999 ? >ASP.K 2 -14.40 42.17 77.51 -15.49 43.08 79.09 -14.95 42.62 78.30 2 0 1000.00 -999 ? >ILE^K 3 -12.69 36.87 75.80 -12.23 35.70 76.30 -12.46 36.29 76.05 3 0 1000.00 -999 ? >ARG^K 4 -14.73 41.61 70.00 -14.14 42.36 67.07 -14.43 41.99 68.54 2 0 1000.00 -999 ? >TYR^K 5 -14.20 34.00 71.40 -14.00 33.31 74.11 -14.10 33.66 72.75 3 0 1000.00 -999 ? >PHE^K 6 -11.23 37.68 66.06 -11.09 40.18 67.31 -11.16 38.93 66.68 3 0 1000.00 -999 ? >GLY^K 7 -13.21 32.63 63.38 -13.33 32.64 64.20 -13.27 32.63 63.79 1 0 1000.00 -999 ? >THR^K 8 -14.79 30.39 65.98 -15.64 30.88 67.89 -15.22 30.63 66.93 2 0 1000.00 -999 ? >THR.K 9 -15.24 26.74 65.07 -13.34 26.07 64.21 -14.29 26.40 64.64 2 0 1000.00 -999 ? >PRO.K 10 -17.83 23.20 65.38 -16.50 24.39 66.75 -17.16 23.80 66.06 3 0 1000.00 -999 ? >ARG.K 11 -10.54 20.45 66.74 -11.50 17.98 65.18 -11.02 19.21 65.96 2 0 1000.00 -999 ? >TYR.K 12 -9.57 25.84 66.25 -9.45 25.48 63.48 -9.51 25.66 64.86 3 0 1000.00 -999 ? >SER^K 13 -11.12 30.07 67.36 -12.85 30.99 68.83 -11.99 30.53 68.10 2 0 1000.00 -999 ? >GLU^K 14 -9.54 30.63 62.37 -8.13 29.17 61.71 -8.83 29.90 62.04 2 0 1000.00 -999 ? >ALA^K 15 -7.88 34.25 66.92 -7.62 35.49 66.11 -7.75 34.87 66.52 2 0 1000.00 -999 ? >VAL^K 16 -8.81 35.27 70.47 -9.43 33.74 71.94 -9.12 34.50 71.20 3 0 1000.00 -999 ? >GLY^K 17 -8.32 38.78 71.92 -8.84 38.35 72.37 -8.58 38.56 72.14 1 0 1000.00 -999 ? >ALA^K 18 -8.20 40.10 75.49 -8.34 38.91 76.44 -8.27 39.50 75.97 2 0 1000.00 -999 ? >ASN.K 19 -6.19 42.90 78.44 -5.42 44.56 79.57 -5.80 43.73 79.01 2 0 1000.00 -999 ? >GLY.K 20 -5.03 44.32 73.80 -5.10 43.56 74.01 -5.07 43.94 73.90 1 0 1000.00 -999 ? >LEU^K 21 -2.95 40.01 74.63 -1.11 39.78 75.71 -2.03 39.90 75.17 3 0 1000.00 -999 ? >ILE^K 22 -4.09 39.25 69.13 -4.54 39.93 68.07 -4.32 39.59 68.60 3 0 1000.00 -999 ? >PHE^K 23 -3.22 34.48 72.98 -2.00 35.42 75.32 -2.61 34.95 74.15 3 0 1000.00 -999 ? >LEU^K 24 -2.82 33.53 65.85 -3.22 35.27 64.58 -3.02 34.40 65.22 3 0 1000.00 -999 ? >SER.K 25 -4.31 29.45 66.60 -6.57 28.65 66.94 -5.44 29.05 66.77 2 0 1000.00 -999 ? >GLY.K 26 -1.45 27.48 65.09 -2.23 27.73 64.82 -1.84 27.60 64.96 1 0 1000.00 -999 ? >MET?K 27 -1.64 28.28 61.38 -4.04 30.72 61.08 -2.84 29.50 61.23 2 0 1000.00 -999 ? >VAL.K 28 -1.29 25.22 59.17 -2.56 23.80 60.29 -1.92 24.51 59.73 3 0 1000.00 -999 ? >PRO.K 29 1.34 23.74 56.08 -0.62 24.85 56.13 0.36 24.29 56.10 3 0 1000.00 -999 ? >GLU.K 30 -5.41 26.32 54.64 -6.53 28.10 54.89 -5.97 27.21 54.77 2 0 1000.00 -999 ? >ASN.K 31 -1.87 26.42 49.13 -3.94 26.85 48.95 -2.91 26.64 49.04 2 0 1000.00 -999 ? >GLY.K 32 1.88 24.18 48.79 1.39 23.61 49.11 1.64 23.90 48.95 1 0 1000.00 -999 ? >GLU.K 33 3.02 19.74 47.26 3.43 18.65 45.48 3.22 19.19 46.37 2 0 1000.00 -999 ? >THR~K 34 7.56 22.27 50.10 8.43 23.18 48.34 8.00 22.72 49.22 2 0 1000.00 -999 ? >ALA~K 35 8.53 24.06 53.31 9.84 23.87 54.06 9.18 23.96 53.68 2 0 1000.00 -999 ? >ALA~K 36 8.99 27.31 51.35 10.03 27.55 50.26 9.51 27.43 50.80 2 0 1000.00 -999 ? >GLU~K 37 5.91 26.01 47.30 5.65 24.23 46.17 5.78 25.12 46.73 2 0 1000.00 -999 ? >GLN~K 38 3.51 23.70 52.67 3.17 21.87 53.71 3.34 22.79 53.19 2 0 1000.00 -999 ? >THR~K 39 5.49 28.91 54.93 7.44 29.05 55.88 6.47 28.98 55.40 2 0 1000.00 -999 ? >ALA~K 40 4.40 31.55 52.41 4.78 31.59 50.94 4.59 31.57 51.67 2 0 1000.00 -999 ? >ASP~K 41 0.38 28.77 52.33 -1.71 28.55 52.50 -0.67 28.66 52.41 2 0 1000.00 -999 ? >VAL~K 42 0.93 30.09 56.50 1.60 28.71 58.08 1.27 29.40 57.29 3 0 1000.00 -999 ? >LEU~K 43 3.76 34.04 56.27 5.54 33.82 57.49 4.65 33.93 56.88 3 0 1000.00 -999 ? >ALA~K 44 -0.38 34.86 54.38 -0.63 34.38 52.95 -0.51 34.62 53.66 2 0 1000.00 -999 ? >GLN~K 45 -3.57 30.99 56.01 -3.63 28.99 56.71 -3.60 29.99 56.36 2 0 1000.00 -999 ? >ILE~K 46 0.17 34.85 60.12 1.16 34.46 61.09 0.66 34.66 60.61 3 0 1000.00 -999 ? >ASP~K 47 -0.93 38.76 56.42 1.16 39.13 56.42 0.12 38.95 56.42 2 0 1000.00 -999 ? >ARG~K 48 -6.57 35.95 54.14 -7.67 33.60 55.83 -7.12 34.78 54.98 2 0 1000.00 -999 ? >TRP~K 49 -6.35 33.69 60.12 -10.19 34.14 60.81 -8.27 33.91 60.46 3 0 1000.00 -999 ? >LEU~K 50 -2.38 40.01 62.04 -0.70 39.17 63.17 -1.54 39.59 62.61 3 0 1000.00 -999 ? >ALA~K 51 -5.71 42.34 60.07 -5.69 42.33 58.55 -5.70 42.34 59.31 2 0 1000.00 -999 ? >GLU~K 52 -10.41 39.43 59.85 -12.34 40.29 59.97 -11.38 39.86 59.91 2 0 1000.00 -999 ? >CYH~K 53 -7.89 41.55 64.94 -7.48 38.86 65.57 -7.69 40.20 65.26 2 0 1000.00 -999 ? >GLY.K 54 -6.73 45.13 64.26 -6.24 44.47 64.33 -6.48 44.80 64.30 1 0 1000.00 -999 ? >SER.K 55 -3.06 44.13 64.19 -1.32 43.02 65.50 -2.19 43.58 64.84 2 0 1000.00 -999 ? >ASP~K 56 -0.01 44.64 60.79 0.92 46.23 61.86 0.45 45.43 61.32 2 0 1000.00 -999 ? >LYS~K 57 3.05 41.57 61.30 5.46 41.78 55.47 4.25 41.68 58.38 2 0 1000.00 -999 ? >ALA~K 58 4.82 44.66 62.70 4.83 46.01 61.96 4.82 45.34 62.33 2 0 1000.00 -999 ? >HIS.K 59 1.64 46.37 65.83 1.74 48.39 65.28 1.69 47.38 65.56 3 0 1000.00 -999 ? >VAL^K 60 3.76 40.50 66.55 3.76 38.75 65.20 3.76 39.62 65.87 3 0 1000.00 -999 ? >LEU^K 61 4.41 40.03 71.31 3.43 41.80 72.12 3.92 40.91 71.71 3 0 1000.00 -999 ? >ASP^K 62 5.50 35.63 71.14 6.42 33.78 71.63 5.96 34.70 71.39 2 0 1000.00 -999 ? >ALA^K 63 6.14 33.38 67.21 6.50 33.91 65.83 6.32 33.65 66.52 2 0 1000.00 -999 ? >VAL^K 64 6.72 29.66 67.76 6.44 28.49 69.59 6.58 29.07 68.67 3 0 1000.00 -999 ? >ILE^K 65 8.52 28.41 63.50 8.87 29.18 62.38 8.69 28.80 62.94 3 0 1000.00 -999 ? >TYR^K 66 5.36 23.89 66.32 4.49 24.86 68.81 4.92 24.37 67.57 3 0 1000.00 -999 ? >LEU^K 67 10.19 22.50 61.20 10.81 24.23 60.04 10.50 23.37 60.62 3 0 1000.00 -999 ? >ARG.K 68 6.51 15.97 58.08 5.15 13.33 58.99 5.83 14.65 58.54 2 0 1000.00 -999 ? >ASP~K 69 11.81 17.51 58.27 13.61 16.42 57.99 12.71 16.97 58.13 2 0 1000.00 -999 ? >MET?K 70 14.41 20.44 61.01 15.06 23.11 62.95 14.73 21.77 61.98 2 0 1000.00 -999 ? >GLY~K 71 16.20 19.88 57.69 15.53 20.35 57.87 15.87 20.12 57.78 1 0 1000.00 -999 ? >ASP~K 72 12.23 22.25 56.29 11.63 20.81 54.82 11.93 21.53 55.56 2 0 1000.00 -999 ? >TYR~K 73 16.54 26.03 60.67 16.91 28.00 62.64 16.72 27.01 61.66 3 0 1000.00 -999 ? >ALA~K 74 17.13 27.27 56.08 18.39 26.80 55.37 17.76 27.04 55.72 2 0 1000.00 -999 ? >GLU~K 75 13.00 25.69 51.70 12.32 23.83 50.91 12.66 24.76 51.31 2 0 1000.00 -999 ? >MET?K 76 11.64 28.13 56.07 10.82 29.48 59.32 11.23 28.81 57.70 2 0 1000.00 -999 ? >ASN~K 77 15.35 30.74 57.85 15.34 30.09 59.89 15.34 30.42 58.87 2 0 1000.00 -999 ? >GLY~K 78 14.29 32.29 53.69 13.61 32.26 54.20 13.95 32.27 53.95 1 0 1000.00 -999 ? >VAL~K 79 10.55 32.96 53.53 9.04 31.67 52.61 9.79 32.31 53.07 3 0 1000.00 -999 ? >TRP~K 80 11.76 34.66 60.20 8.40 34.78 62.22 10.08 34.72 61.21 3 0 1000.00 -999 ? >ASP~K 81 14.70 36.24 56.54 15.68 35.07 58.00 15.19 35.65 57.27 2 0 1000.00 -999 ? >ALA~K 82 11.76 38.22 53.80 11.71 37.53 52.44 11.74 37.88 53.12 2 0 1000.00 -999 ? >TRP~K 83 4.93 37.89 55.59 4.65 37.40 59.48 4.79 37.65 57.54 3 0 1000.00 -999 ? >VAL~K 84 9.07 39.91 58.90 10.52 38.68 59.96 9.79 39.29 59.43 3 0 1000.00 -999 ? >ALA.K 85 8.87 43.66 59.45 7.75 44.37 60.20 8.31 44.01 59.82 2 0 1000.00 -999 ? >ALA.K 86 12.46 44.91 59.58 13.20 45.51 58.39 12.83 45.21 58.99 2 0 1000.00 -999 ? >GLY.K 87 13.39 46.57 62.89 12.80 46.00 62.81 13.09 46.28 62.85 1 0 1000.00 -999 ? >ARG.K 88 7.79 48.15 63.97 6.15 48.86 66.48 6.97 48.50 65.23 2 0 1000.00 -999 ? >THR.K 89 10.98 41.36 64.39 13.00 41.22 63.61 11.99 41.29 64.00 2 0 1000.00 -999 ? >PRO.K 90 8.35 37.99 65.41 9.50 39.58 66.51 8.93 38.78 65.96 3 0 1000.00 -999 ? >ALA^K 91 10.55 36.92 69.79 10.06 36.83 71.23 10.31 36.87 70.51 2 0 1000.00 -999 ? >ARG^K 92 11.70 33.06 64.24 13.35 31.31 62.32 12.53 32.19 63.28 2 0 1000.00 -999 ? >ALA^K 93 11.57 29.87 68.71 11.07 29.35 70.06 11.32 29.61 69.39 2 0 1000.00 -999 ? >CYH^K 94 11.82 27.09 66.14 12.19 26.25 63.50 12.01 26.67 64.82 2 0 1000.00 -999 ? >VAL^K 95 11.50 23.45 67.17 10.53 23.79 69.11 11.02 23.62 68.14 3 0 1000.00 -999 ? >GLU^K 96 11.74 18.38 63.74 13.05 16.74 63.48 12.39 17.56 63.61 2 0 1000.00 -999 ? >ALA.K 97 7.41 18.61 65.89 6.61 19.39 66.88 7.01 19.00 66.39 2 0 1000.00 -999 ? >ARG.K 98 6.41 12.81 63.49 7.86 10.86 61.62 7.14 11.83 62.55 2 0 1000.00 -999 ? >LEU.K 99 1.98 19.30 61.76 3.35 21.01 62.08 2.66 20.15 61.92 3 0 1000.00 -999 ? >ALA.K 100 -1.71 16.85 62.37 -2.94 17.70 62.67 -2.33 17.28 62.52 2 0 1000.00 -999 ? >ARG.K 101 -4.40 16.22 56.55 -6.90 17.96 57.02 -5.65 17.09 56.78 2 0 1000.00 -999 ? >PRO.K 102 0.39 12.10 56.98 1.11 14.19 57.40 0.75 13.15 57.19 3 0 1000.00 -999 ? >GLU.K 103 0.04 15.63 52.94 -1.74 15.64 54.08 -0.85 15.63 53.51 2 0 1000.00 -999 ? >TRP.K 104 -0.68 20.08 56.11 -3.31 20.32 59.03 -1.99 20.20 57.57 3 0 1000.00 -999 ? >ARG.K 105 7.49 19.72 53.68 9.14 17.25 54.48 8.31 18.49 54.08 2 0 1000.00 -999 ? >VAL^K 106 5.33 23.88 59.06 5.72 25.88 58.16 5.52 24.88 58.61 3 0 1000.00 -999 ? >GLU^K 107 1.08 24.93 63.34 -0.11 23.44 64.32 0.49 24.18 63.83 2 0 1000.00 -999 ? >ILE^K 108 3.80 29.99 62.14 4.80 30.85 61.53 4.30 30.42 61.83 3 0 1000.00 -999 ? >LYS^K 109 1.77 29.97 66.37 -0.46 30.42 71.02 0.66 30.19 68.69 2 0 1000.00 -999 ? >ILE^K 110 1.06 34.53 65.61 2.14 35.46 65.07 1.60 35.00 65.34 3 0 1000.00 -999 ? >THR^K 111 0.99 36.15 69.80 1.11 35.54 71.88 1.05 35.85 70.84 2 0 1000.00 -999 ? >ALA^K 112 0.34 39.79 68.85 -0.15 39.94 67.42 0.09 39.86 68.13 2 0 1000.00 -999 ? >VAL^K 113 -0.92 43.18 70.06 0.11 44.85 71.05 -0.40 44.01 70.55 3 0 1000.00 -999 ? >LYS.K 114 -3.42 45.72 68.69 -9.28 46.13 69.45 -6.35 45.92 69.07 2 0 1000.00 -999 ? >ARG.K 115 -1.72 49.23 63.41 -3.82 47.70 61.74 -2.77 48.47 62.57 2 0 1000.00 -999 ? >ASP.K 116 -3.09 52.64 70.55 -2.05 51.37 71.90 -2.57 52.01 71.23 2 0 1000.00 -999 ? >MET?L 1 1.22 44.08 88.10 0.56 42.93 84.99 0.89 43.50 86.55 2 0 1000.00 -999 ? >ASP.L 2 0.28 42.21 92.46 0.81 44.02 93.43 0.54 43.12 92.94 2 0 1000.00 -999 ? >ILE.L 3 3.46 37.73 90.34 4.51 37.35 89.40 3.98 37.54 89.87 3 0 1000.00 -999 ? >ARG^L 4 -3.34 35.24 94.03 -5.64 34.92 96.05 -4.49 35.08 95.04 2 0 1000.00 -999 ? >TYR^L 5 3.91 32.61 92.43 5.78 34.41 91.39 4.85 33.51 91.91 3 0 1000.00 -999 ? >PHE^L 6 -2.85 30.04 91.92 -4.32 32.43 91.81 -3.58 31.24 91.87 3 0 1000.00 -999 ? >GLY^L 7 0.30 25.28 93.84 0.78 25.93 93.69 0.54 25.60 93.76 1 0 1000.00 -999 ? >THR^L 8 3.98 26.14 94.20 4.90 28.08 94.52 4.44 27.11 94.36 2 0 1000.00 -999 ? >THR.L 9 6.69 23.46 94.18 6.26 22.04 92.56 6.47 22.75 93.37 2 0 1000.00 -999 ? >PRO.L 10 10.51 22.25 95.95 9.82 23.67 94.35 10.17 22.96 95.15 3 0 1000.00 -999 ? >ARG.L 11 10.68 20.22 88.19 12.28 17.77 89.14 11.48 19.00 88.66 2 0 1000.00 -999 ? >TYR.L 12 5.98 22.92 88.35 4.53 20.64 89.10 5.26 21.78 88.72 3 0 1000.00 -999 ? >SER^L 13 3.85 26.52 90.05 4.53 28.41 91.40 4.19 27.47 90.72 2 0 1000.00 -999 ? >GLU^L 14 0.20 22.90 90.39 0.43 21.22 89.09 0.31 22.06 89.74 2 0 1000.00 -999 ? >ALA^L 15 -0.68 28.34 87.94 -2.18 28.45 88.18 -1.43 28.40 88.06 2 0 1000.00 -999 ? >VAL^L 16 0.65 31.90 87.79 2.83 32.28 87.77 1.74 32.09 87.78 3 0 1000.00 -999 ? >GLY^L 17 -1.64 34.93 87.52 -0.90 35.11 87.84 -1.27 35.02 87.68 1 0 1000.00 -999 ? >ALA^L 18 -0.91 38.58 86.72 0.57 38.67 86.38 -0.17 38.63 86.55 2 0 1000.00 -999 ? >ASN.L 19 -2.23 42.10 84.21 -3.15 43.84 83.34 -2.69 42.97 83.77 2 0 1000.00 -999 ? >GLY.L 20 -6.03 39.12 85.05 -5.30 38.94 84.76 -5.67 39.03 84.91 1 0 1000.00 -999 ? >LEU^L 21 -2.85 37.17 81.90 -2.83 37.98 79.89 -2.84 37.57 80.90 3 0 1000.00 -999 ? >ILE^L 22 -4.84 32.50 84.42 -5.77 32.14 85.32 -5.31 32.32 84.87 3 0 1000.00 -999 ? >PHE^L 23 0.79 32.69 81.82 0.89 34.94 80.15 0.84 33.81 80.99 3 0 1000.00 -999 ? >LEU^L 24 -2.31 26.38 83.30 -4.29 26.73 84.23 -3.30 26.55 83.76 3 0 1000.00 -999 ? >SER.L 25 1.78 24.71 83.78 3.27 24.76 85.72 2.52 24.73 84.75 2 0 1000.00 -999 ? >GLY.L 26 1.66 21.87 81.28 1.51 21.98 82.13 1.59 21.93 81.71 1 0 1000.00 -999 ? >MET?L 27 -1.01 19.58 82.67 -2.15 21.01 85.50 -1.58 20.29 84.09 2 0 1000.00 -999 ? >VAL.L 28 0.01 15.98 82.46 2.08 15.30 82.71 1.05 15.64 82.59 3 0 1000.00 -999 ? >PRO.L 29 -1.42 12.32 80.67 -1.54 13.24 82.72 -1.48 12.78 81.69 3 0 1000.00 -999 ? >GLU.L 30 -2.02 13.54 87.92 -2.92 15.00 89.18 -2.47 14.27 88.55 2 0 1000.00 -999 ? >ASN.L 31 -6.28 9.04 86.22 -6.03 9.32 88.32 -6.15 9.18 87.27 2 0 1000.00 -999 ? >GLY.L 32 -5.97 6.59 82.53 -5.19 6.60 82.80 -5.58 6.60 82.66 1 0 1000.00 -999 ? >GLU.L 33 -3.60 2.65 81.45 -4.37 0.72 81.83 -3.99 1.69 81.64 2 0 1000.00 -999 ? >THR~L 34 -5.65 5.54 76.64 -7.63 4.61 76.65 -6.64 5.07 76.65 2 0 1000.00 -999 ? >ALA~L 35 -5.48 8.94 74.93 -5.21 9.16 73.44 -5.35 9.05 74.19 2 0 1000.00 -999 ? >ALA~L 36 -9.21 9.54 75.56 -10.35 8.68 75.02 -9.78 9.11 75.29 2 0 1000.00 -999 ? >GLU~L 37 -9.40 6.18 79.61 -8.68 4.38 80.49 -9.04 5.28 80.05 2 0 1000.00 -999 ? >GLN~L 38 -3.83 9.05 79.63 -1.73 8.73 79.32 -2.78 8.89 79.48 2 0 1000.00 -999 ? >THR~L 39 -7.20 13.80 77.92 -7.54 14.27 75.82 -7.37 14.03 76.87 2 0 1000.00 -999 ? >ALA~L 40 -10.26 13.62 80.20 -11.22 12.43 80.32 -10.74 13.03 80.26 2 0 1000.00 -999 ? >ASP~L 41 -7.02 12.50 83.64 -6.06 12.84 85.49 -6.54 12.67 84.57 2 0 1000.00 -999 ? >VAL~L 42 -5.83 16.52 82.00 -4.08 16.68 80.66 -4.95 16.60 81.33 3 0 1000.00 -999 ? >LEU~L 43 -9.89 18.44 80.08 -9.62 18.75 77.95 -9.75 18.60 79.02 3 0 1000.00 -999 ? >ALA~L 44 -10.34 18.01 84.64 -10.68 16.64 85.22 -10.51 17.32 84.93 2 0 1000.00 -999 ? >GLN~L 45 -5.38 17.49 86.43 -3.47 16.71 85.93 -4.42 17.10 86.18 2 0 1000.00 -999 ? >ILE~L 46 -7.44 22.44 82.36 -7.02 22.60 81.10 -7.23 22.52 81.73 3 0 1000.00 -999 ? >ASP~L 47 -12.05 21.76 85.13 -13.00 21.68 83.23 -12.52 21.72 84.18 2 0 1000.00 -999 ? >ARG~L 48 -9.74 19.34 90.71 -11.36 16.83 89.98 -10.55 18.08 90.35 2 0 1000.00 -999 ? >TRP~L 49 -4.43 22.52 88.25 -3.38 23.64 91.87 -3.90 23.08 90.06 3 0 1000.00 -999 ? >LEU~L 50 -9.73 27.27 85.13 -8.93 27.70 83.16 -9.33 27.49 84.15 3 0 1000.00 -999 ? >ALA~L 51 -11.57 27.65 89.24 -12.38 26.46 89.75 -11.97 27.05 89.50 2 0 1000.00 -999 ? >GLU~L 52 -7.78 26.22 92.98 -6.85 26.55 94.85 -7.31 26.38 93.92 2 0 1000.00 -999 ? >CYH~L 53 -7.57 31.18 89.67 -5.13 30.01 88.98 -6.35 30.60 89.32 2 0 1000.00 -999 ? >GLY.L 54 -11.04 32.74 89.18 -10.67 32.30 88.60 -10.85 32.52 88.89 1 0 1000.00 -999 ? >SER.L 55 -11.48 31.53 85.63 -10.49 31.62 83.41 -10.99 31.58 84.52 2 0 1000.00 -999 ? >ASP~L 56 -14.62 28.73 83.93 -15.52 30.43 83.00 -15.07 29.58 83.47 2 0 1000.00 -999 ? >LYS~L 57 -12.98 26.87 80.32 -17.00 21.94 80.23 -14.99 24.40 80.27 2 0 1000.00 -999 ? >ALA~L 58 -15.16 29.61 78.79 -16.61 29.86 79.21 -15.89 29.74 79.00 2 0 1000.00 -999 ? >HIS.L 59 -13.84 33.49 81.06 -15.78 34.22 81.38 -14.81 33.86 81.22 3 0 1000.00 -999 ? >VAL^L 60 -9.40 30.33 78.03 -8.67 28.26 78.22 -9.03 29.30 78.13 3 0 1000.00 -999 ? >LEU^L 61 -6.44 33.42 75.92 -6.95 35.33 76.82 -6.69 34.38 76.37 3 0 1000.00 -999 ? >ASP^L 62 -3.54 30.55 74.29 -2.20 29.87 72.82 -2.87 30.21 73.56 2 0 1000.00 -999 ? >ALA^L 63 -4.23 26.03 74.44 -5.48 25.16 74.50 -4.86 25.59 74.47 2 0 1000.00 -999 ? >VAL^L 64 -1.14 24.20 73.23 0.85 25.03 72.80 -0.14 24.62 73.02 3 0 1000.00 -999 ? >ILE^L 65 -3.09 19.91 72.53 -4.39 19.53 72.66 -3.74 19.72 72.59 3 0 1000.00 -999 ? >TYR^L 66 2.99 19.75 73.86 3.94 22.37 73.99 3.46 21.06 73.92 3 0 1000.00 -999 ? >LEU^L 67 -0.29 14.16 70.68 -2.46 13.97 70.75 -1.37 14.07 70.71 3 0 1000.00 -999 ? >ARG.L 68 4.43 8.61 74.21 7.37 7.80 74.58 5.90 8.21 74.40 2 0 1000.00 -999 ? >ASP~L 69 1.60 8.65 69.14 1.56 7.60 67.28 1.58 8.13 68.21 2 0 1000.00 -999 ? >MET?L 70 -0.14 12.14 66.37 -1.24 15.18 65.70 -0.69 13.66 66.03 2 0 1000.00 -999 ? >GLY~L 71 -2.03 8.90 65.65 -2.11 9.42 66.28 -2.07 9.16 65.96 1 0 1000.00 -999 ? >ASP~L 72 -3.47 9.88 70.11 -2.79 8.00 70.77 -3.13 8.94 70.44 2 0 1000.00 -999 ? >TYR~L 73 -5.23 15.01 65.45 -5.90 17.66 64.89 -5.57 16.33 65.17 3 0 1000.00 -999 ? >ALA~L 74 -8.92 12.02 66.54 -9.38 11.04 65.46 -9.15 11.53 66.00 2 0 1000.00 -999 ? >GLU~L 75 -8.81 8.54 71.76 -7.78 6.76 72.28 -8.30 7.65 72.02 2 0 1000.00 -999 ? >MET?L 76 -7.92 13.35 71.84 -6.93 16.84 71.74 -7.42 15.10 71.79 2 0 1000.00 -999 ? >ASN~L 77 -10.06 15.80 68.20 -8.46 17.02 67.48 -9.26 16.41 67.84 2 0 1000.00 -999 ? >GLY~L 78 -13.20 13.61 70.70 -12.73 14.09 71.16 -12.96 13.85 70.93 1 0 1000.00 -999 ? >VAL~L 79 -12.84 14.50 74.39 -11.99 13.40 76.10 -12.41 13.95 75.25 3 0 1000.00 -999 ? >TRP~L 80 -10.85 20.52 71.29 -8.80 22.66 73.88 -9.82 21.59 72.58 3 0 1000.00 -999 ? >ASP~L 81 -15.05 18.08 70.10 -13.70 18.44 68.49 -14.38 18.26 69.30 2 0 1000.00 -999 ? >ALA~L 82 -17.06 17.65 74.13 -17.21 16.20 74.54 -17.13 16.92 74.34 2 0 1000.00 -999 ? >TRP~L 83 -13.53 19.95 79.77 -11.02 22.76 78.62 -12.27 21.35 79.19 3 0 1000.00 -999 ? >VAL~L 84 -15.01 22.90 75.16 -14.30 23.62 73.19 -14.65 23.26 74.18 3 0 1000.00 -999 ? >ALA.L 85 -17.50 25.78 75.67 -17.33 26.93 76.65 -17.41 26.35 76.16 2 0 1000.00 -999 ? >ALA.L 86 -19.56 26.32 72.50 -20.94 25.76 72.25 -20.25 26.04 72.38 2 0 1000.00 -999 ? >GLY.L 87 -18.94 29.67 70.79 -18.42 29.35 71.32 -18.68 29.51 71.06 1 0 1000.00 -999 ? >ARG.L 88 -18.13 32.17 76.05 -16.95 34.82 77.08 -17.54 33.49 76.56 2 0 1000.00 -999 ? >THR.L 89 -13.42 27.96 71.96 -14.32 26.96 70.27 -13.87 27.46 71.12 2 0 1000.00 -999 ? >PRO.L 90 -9.42 27.07 73.61 -10.44 28.74 72.49 -9.93 27.90 73.05 3 0 1000.00 -999 ? >ALA^L 91 -6.89 29.58 70.18 -5.89 30.73 70.15 -6.39 30.16 70.17 2 0 1000.00 -999 ? >ARG^L 92 -7.29 22.75 70.04 -7.59 20.10 68.52 -7.44 21.42 69.28 2 0 1000.00 -999 ? >ALA^L 93 -2.26 24.39 68.43 -0.96 25.18 68.44 -1.61 24.78 68.43 2 0 1000.00 -999 ? >CYH^L 94 -1.63 20.64 68.42 -2.52 18.03 68.61 -2.08 19.33 68.51 2 0 1000.00 -999 ? >VAL^L 95 1.85 19.20 67.74 2.99 21.10 68.07 2.42 20.15 67.91 3 0 1000.00 -999 ? >GLU^L 96 4.04 13.44 67.82 4.47 12.00 66.33 4.25 12.72 67.07 2 0 1000.00 -999 ? >ALA.L 97 6.30 15.86 71.17 6.57 17.22 71.78 6.44 16.54 71.48 2 0 1000.00 -999 ? >ARG.L 98 9.80 10.40 72.29 9.63 8.00 70.39 9.71 9.20 71.34 2 0 1000.00 -999 ? >LEU.L 99 5.20 13.94 77.68 3.60 14.96 76.58 4.40 14.45 77.13 3 0 1000.00 -999 ? >ALA.L 100 8.49 13.39 80.60 8.28 14.20 81.87 8.39 13.79 81.23 2 0 1000.00 -999 ? >ARG.L 101 7.24 9.04 84.74 5.82 10.73 86.90 6.53 9.89 85.82 2 0 1000.00 -999 ? >PRO.L 102 8.58 6.18 79.15 6.84 7.57 78.81 7.71 6.88 78.98 3 0 1000.00 -999 ? >GLU.L 103 3.90 4.97 81.41 4.94 6.19 82.79 4.42 5.58 82.10 2 0 1000.00 -999 ? >TRP.L 104 2.24 10.24 82.06 4.56 13.03 83.60 3.40 11.64 82.83 3 0 1000.00 -999 ? >ARG.L 105 -1.45 7.11 74.63 0.53 6.31 72.40 -0.46 6.71 73.52 2 0 1000.00 -999 ? >VAL^L 106 -0.96 14.07 76.12 -3.12 14.58 76.34 -2.04 14.32 76.23 3 0 1000.00 -999 ? >GLU^L 107 1.93 18.59 79.01 3.96 18.60 79.61 2.94 18.60 79.31 2 0 1000.00 -999 ? >ILE^L 108 -3.57 20.33 77.56 -4.87 20.23 76.90 -4.22 20.28 77.23 3 0 1000.00 -999 ? >LYS^L 109 -0.74 24.01 78.20 1.99 27.87 79.71 0.62 25.94 78.95 2 0 1000.00 -999 ? >ILE^L 110 -4.46 26.27 79.90 -5.78 26.29 79.15 -5.12 26.28 79.53 3 0 1000.00 -999 ? >THR^L 111 -3.37 30.52 79.01 -1.83 31.84 78.20 -2.60 31.18 78.60 2 0 1000.00 -999 ? >ALA^L 112 -6.60 32.08 80.38 -7.37 31.11 81.23 -6.98 31.60 80.80 2 0 1000.00 -999 ? >VAL^L 113 -8.15 35.21 81.89 -8.77 36.33 80.11 -8.46 35.77 81.00 3 0 1000.00 -999 ? >LYS.L 114 -9.73 35.91 85.29 -9.60 37.08 90.48 -9.66 36.49 87.89 2 0 1000.00 -999 ? >ARG.L 115 -16.16 33.83 85.40 -15.54 31.72 87.58 -15.85 32.77 86.49 2 0 1000.00 -999 ? >ASP.L 116 -14.07 41.49 85.13 -12.38 42.12 84.01 -13.23 41.81 84.57 2 0 1000.00 -999 ? >ALA.L 117 -14.97 41.31 89.61 -14.01 41.43 90.80 -14.49 41.37 90.20 2 0 1000.00 -999 ?