#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 s MET 2 N 0.00 2.75 0.01 1.43 0.00 -1.26 -4.81 119.30 117.42 1vs7 s MET 2 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 55.69 54.96 1vs7 s MET 2 Cb 0.00 -5.16 -0.04 0.00 0.00 0.00 0.00 34.83 29.63 1vs7 s MET 2 CO 0.00 -3.29 1.11 1.96 0.00 0.00 0.00 175.02 174.80 1vs7 h GLN 3 N 10.60 -0.25 -4.45 4.11 1.08 -2.07 -3.40 115.11 120.73 1vs7 h GLN 3 Ca 0.15 0.02 -0.72 0.00 -1.45 0.00 0.00 58.65 56.64 1vs7 h GLN 3 Cb 0.99 0.06 -0.22 0.00 -0.05 0.00 0.00 27.48 28.26 1vs7 h GLN 3 CO 1.25 -0.17 -0.41 0.34 -0.95 0.00 0.00 178.83 178.90 1vs7 s ASP 4 N -2.45 6.10 0.21 1.46 3.68 -1.26 -4.95 116.67 119.45 1vs7 s ASP 4 Ca -0.04 -1.03 0.05 0.00 2.13 0.00 0.00 52.55 53.67 1vs7 s ASP 4 Cb 0.00 -2.16 0.16 0.00 -1.45 0.00 0.00 42.92 39.47 1vs7 s ASP 4 CO 0.12 -0.50 1.49 1.55 0.13 0.00 0.00 175.17 177.96 1vs7 h PRO 5 N 8.65 0.16 -0.44 4.34 0.13 -2.01 -3.25 132.00 139.58 1vs7 h PRO 5 Ca -0.27 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1vs7 h PRO 5 Cb 1.12 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1vs7 h PRO 5 CO 0.77 0.81 0.19 0.82 -0.23 0.00 0.00 178.00 180.36 1vs7 h ILE 6 N 0.11 0.91 -0.87 -3.56 5.03 -1.98 -2.80 117.51 114.34 1vs7 h ILE 6 Ca -0.02 -0.13 0.18 0.00 -0.12 0.00 0.00 64.86 64.77 1vs7 h ILE 6 Cb 1.28 0.50 -0.16 0.00 -3.03 0.00 0.00 36.82 35.40 1vs7 h ILE 6 CO 0.11 0.07 -0.18 0.00 -0.68 0.00 0.00 178.15 177.47 1vs7 h ALA 7 N 1.27 0.64 -0.85 1.87 0.00 -1.99 0.22 119.26 120.42 1vs7 h ALA 7 Ca 0.20 0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.56 1vs7 h ALA 7 Cb 0.16 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1vs7 h ALA 7 CO -0.18 -0.41 0.47 -0.44 0.00 0.00 0.00 179.25 178.69 1vs7 h ASP 8 N 0.01 0.62 -0.24 0.00 3.32 -1.66 0.20 116.42 118.67 1vs7 h ASP 8 Ca 0.43 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.52 1vs7 h ASP 8 Cb 0.69 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1vs7 h ASP 8 CO -0.88 0.31 0.06 -0.03 -1.72 0.00 0.00 179.24 176.99 1vs7 h MET 9 N 0.73 0.48 0.12 3.56 4.05 -0.63 0.17 114.93 123.41 1vs7 h MET 9 Ca 0.44 -0.08 -0.27 0.00 -0.28 0.00 0.00 59.70 59.51 1vs7 h MET 9 Cb 0.51 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1vs7 h MET 9 CO -0.30 0.46 -1.22 -0.07 0.23 0.00 0.00 176.91 176.01 1vs7 h LEU 10 N 0.47 0.43 0.21 3.39 3.38 -0.88 -3.07 115.31 119.24 1vs7 h LEU 10 Ca 0.11 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1vs7 h LEU 10 Cb 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1vs7 h LEU 10 CO -0.00 1.34 -0.10 0.71 0.09 0.00 0.00 178.44 180.48 1vs7 h THR 11 N 0.08 0.82 -0.94 0.22 1.35 -0.62 -2.02 112.91 111.80 1vs7 h THR 11 Ca -0.13 -0.92 0.20 0.00 -0.55 0.00 0.00 66.41 65.01 1vs7 h THR 11 Cb 1.94 1.30 -0.11 0.00 -1.73 0.00 0.00 68.15 69.54 1vs7 h THR 11 CO 0.20 0.18 0.51 0.03 -0.25 0.00 0.00 175.52 176.20 1vs7 h ARG 12 N -0.79 0.59 -0.18 4.72 3.08 -0.80 0.99 114.38 121.98 1vs7 h ARG 12 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1vs7 h ARG 12 Cb 0.51 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1vs7 h ARG 12 CO 0.05 0.39 0.01 0.82 -1.07 0.00 0.00 179.97 180.16 1vs7 h ILE 13 N 0.60 1.24 -0.10 2.04 2.04 -1.52 0.17 117.51 121.99 1vs7 h ILE 13 Ca 0.56 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 1vs7 h ILE 13 Cb 0.95 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1vs7 h ILE 13 CO -0.43 0.24 -0.35 0.08 0.00 0.00 0.00 178.15 177.69 1vs7 h ARG 14 N 0.07 0.41 0.00 2.37 0.11 -0.41 -1.67 114.38 115.26 1vs7 h ARG 14 Ca 0.05 -0.31 -0.04 0.00 0.10 0.00 0.00 59.98 59.78 1vs7 h ARG 14 Cb 0.36 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1vs7 h ARG 14 CO 0.01 0.94 -0.18 -0.91 0.10 0.00 0.00 179.97 179.93 1vs7 h ASN 15 N -0.03 0.00 -0.01 0.08 2.35 0.90 -2.47 115.58 116.40 1vs7 h ASN 15 Ca -0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1vs7 h ASN 15 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1vs7 h ASN 15 CO 0.07 0.18 -0.22 1.23 -1.65 0.00 0.00 177.43 177.04 1vs7 h GLY 16 N 1.01 0.19 2.00 2.83 0.00 -0.56 -3.03 103.07 105.51 1vs7 h GLY 16 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1vs7 h GLY 16 CO 0.02 0.27 0.00 1.46 0.00 0.00 0.00 176.54 178.30 1vs7 h GLN 17 N -0.49 0.00 -0.00 4.80 1.08 -1.07 0.26 115.11 119.68 1vs7 h GLN 17 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1vs7 h GLN 17 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1vs7 h GLN 17 CO 0.04 0.00 -0.38 0.00 -0.95 0.00 0.00 178.83 177.55 1vs7 n ALA 18 N -2.04 3.32 -0.61 3.87 0.00 -0.95 -3.81 120.51 120.30 1vs7 n ALA 18 Ca -0.03 -0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.08 1vs7 n ALA 18 Cb 0.07 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 18.53 1vs7 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 n ALA 19 N -0.97 2.28 -1.08 0.00 0.00 0.86 -4.96 120.51 116.65 1vs7 n ALA 19 Ca 0.09 -1.88 -0.06 0.00 0.00 0.00 0.00 53.44 51.59 1vs7 n ALA 19 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 1vs7 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vs7 n ASN 20 N -0.75 -4.85 -4.68 0.00 4.13 -0.97 -4.87 115.26 103.26 1vs7 n ASN 20 Ca 0.11 0.16 -0.45 0.00 1.68 0.00 0.00 54.58 56.08 1vs7 n ASN 20 Cb 0.53 -3.42 -0.04 0.00 -1.54 0.00 0.00 39.78 35.31 1vs7 n ASN 20 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1vs7 n LYS 21 N -0.28 2.48 0.28 3.52 4.76 -1.01 -4.84 118.16 123.07 1vs7 n LYS 21 Ca -0.06 0.90 0.12 0.00 -2.87 0.00 0.00 58.31 56.40 1vs7 n LYS 21 Cb 0.47 -2.76 0.78 0.00 -1.84 0.00 0.00 35.03 31.69 1vs7 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs7 h ALA 22 N 8.15 1.67 -2.67 7.82 0.00 -1.90 -3.41 119.26 128.92 1vs7 h ALA 22 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1vs7 h ALA 22 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1vs7 h ALA 22 CO 0.93 0.03 0.00 0.00 0.00 0.00 0.00 179.25 180.21 1vs7 n ALA 23 N -2.40 0.00 -3.60 0.00 0.00 -1.26 -0.93 120.51 112.32 1vs7 n ALA 23 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1vs7 n ALA 23 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 1vs7 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs7 s VAL 24 N -2.81 0.00 0.37 0.00 0.11 0.20 -4.81 120.40 113.46 1vs7 s VAL 24 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1vs7 s VAL 24 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1vs7 s VAL 24 CO 0.00 0.00 0.25 0.28 -3.33 0.00 0.00 175.10 172.30 1vs7 s THR 25 N -1.01 2.91 0.00 5.04 -1.32 -1.26 -1.14 115.64 118.86 1vs7 s THR 25 Ca 0.01 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1vs7 s THR 25 Cb -0.01 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1vs7 s THR 25 CO -0.02 -0.10 0.00 1.15 -2.21 0.00 0.00 174.62 173.45 1vs7 n MET 26 N -1.33 0.00 -1.69 7.08 0.00 -1.24 -4.95 117.12 114.99 1vs7 n MET 26 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1vs7 n MET 26 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.81 1vs7 n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1vs7 s PRO 27 N -1.39 3.63 1.23 3.17 0.04 -1.26 0.01 135.00 140.43 1vs7 s PRO 27 Ca 0.00 2.24 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1vs7 s PRO 27 Cb 0.00 -4.25 0.30 0.00 0.04 0.00 0.00 34.50 30.59 1vs7 s PRO 27 CO 0.00 -1.53 1.03 -1.54 0.04 0.00 0.00 177.00 174.99 1vs7 s SER 28 N 6.24 0.59 -0.29 6.66 1.04 -0.04 -4.86 113.70 123.04 1vs7 s SER 28 Ca 0.92 1.03 -0.26 0.00 0.48 0.00 0.00 55.95 58.12 1vs7 s SER 28 Cb -0.36 -1.54 0.19 0.00 0.10 0.00 0.00 66.02 64.41 1vs7 s SER 28 CO 0.37 -4.37 1.42 -0.94 0.98 0.00 0.00 173.24 170.71 1vs7 s SER 29 N -3.21 -0.05 0.01 7.02 1.04 -1.26 -4.92 113.70 112.33 1vs7 s SER 29 Ca 0.69 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.19 1vs7 s SER 29 Cb -0.17 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1vs7 s SER 29 CO 0.59 -0.02 0.08 1.17 0.98 0.00 0.00 173.24 176.04 1vs7 n LYS 30 N 1.33 -0.02 0.04 4.02 0.00 -1.26 0.40 118.16 122.67 1vs7 n LYS 30 Ca -0.08 0.08 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 1vs7 n LYS 30 Cb 0.57 -0.12 -0.08 0.00 0.00 0.00 0.00 35.03 35.41 1vs7 n LYS 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1vs7 h LEU 31 N 0.00 -0.16 -1.59 3.14 5.85 -1.98 -1.54 115.31 119.02 1vs7 h LEU 31 Ca 0.01 -0.39 0.35 0.00 0.84 0.00 0.00 57.88 58.69 1vs7 h LEU 31 Cb 0.03 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 1vs7 h LEU 31 CO -0.05 0.42 0.81 0.11 -0.34 0.00 0.00 178.44 179.39 1vs7 h LYS 32 N -0.86 0.18 0.12 1.25 1.57 -0.44 0.58 116.57 118.98 1vs7 h LYS 32 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1vs7 h LYS 32 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1vs7 h LYS 32 CO 0.03 0.12 -0.06 0.28 -0.57 0.00 0.00 179.45 179.25 1vs7 h VAL 33 N 0.18 0.00 -0.97 0.50 2.07 -0.78 -3.13 116.25 114.12 1vs7 h VAL 33 Ca 0.66 -0.88 0.27 0.00 0.82 0.00 0.00 66.70 67.57 1vs7 h VAL 33 Cb 2.11 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.75 1vs7 h VAL 33 CO -0.22 0.00 0.51 0.00 0.02 0.00 0.00 177.57 177.87 1vs7 h ALA 34 N -1.05 1.73 -0.86 1.67 0.00 -0.42 0.48 119.26 120.81 1vs7 h ALA 34 Ca -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1vs7 h ALA 34 Cb 0.12 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1vs7 h ALA 34 CO 0.03 -0.42 0.44 0.82 0.00 0.00 0.00 179.25 180.12 1vs7 h ILE 35 N 0.41 1.26 -1.05 0.00 2.04 -1.03 -2.53 117.51 116.61 1vs7 h ILE 35 Ca 0.65 -0.68 0.28 0.00 1.00 0.00 0.00 64.86 66.11 1vs7 h ILE 35 Cb 1.35 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.44 1vs7 h ILE 35 CO -0.56 0.30 0.65 0.00 0.00 0.00 0.00 178.15 178.54 1vs7 h ALA 36 N 1.27 2.10 0.40 1.87 0.00 0.02 -1.88 119.26 123.05 1vs7 h ALA 36 Ca 0.30 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1vs7 h ALA 36 Cb 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1vs7 h ALA 36 CO -0.04 -0.57 -0.37 -0.91 0.00 0.00 0.00 179.25 177.36 1vs7 h ASN 37 N 0.43 -1.02 -0.49 0.00 -0.26 -1.44 0.38 115.58 113.18 1vs7 h ASN 37 Ca 0.64 0.08 0.14 0.00 -0.56 0.00 0.00 56.30 56.60 1vs7 h ASN 37 Cb 1.52 0.33 -0.02 0.00 -1.06 0.00 0.00 38.32 39.09 1vs7 h ASN 37 CO -0.39 -0.50 0.36 1.62 -1.06 0.00 0.00 177.43 177.45 1vs7 h VAL 38 N -0.77 0.75 -0.14 2.81 3.04 -1.49 0.28 116.25 120.74 1vs7 h VAL 38 Ca -0.05 -0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.46 1vs7 h VAL 38 Cb 0.66 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1vs7 h VAL 38 CO -0.03 0.00 -0.65 -0.07 -1.01 0.00 0.00 177.57 175.81 1vs7 h LEU 39 N 0.00 0.61 0.13 3.16 -0.00 -0.82 -2.68 115.31 115.71 1vs7 h LEU 39 Ca 0.23 -0.36 -0.18 0.00 -0.00 0.00 0.00 57.88 57.57 1vs7 h LEU 39 Cb 0.94 -0.18 0.02 0.00 -0.00 0.00 0.00 40.66 41.44 1vs7 h LEU 39 CO -0.00 1.10 -0.83 0.50 -0.00 0.00 0.00 178.44 179.21 1vs7 h LYS 40 N 0.38 0.27 0.00 1.13 3.64 0.11 -2.32 116.57 119.79 1vs7 h LYS 40 Ca -0.02 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1vs7 h LYS 40 Cb 1.22 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1vs7 h LYS 40 CO 0.12 1.22 0.00 0.39 -2.27 0.00 0.00 179.45 178.91 1vs7 n GLU 41 N -4.14 0.02 -0.33 1.90 1.02 0.77 -2.17 120.64 117.71 1vs7 n GLU 41 Ca -0.15 0.29 0.07 0.00 -0.02 0.00 0.00 57.16 57.36 1vs7 n GLU 41 Cb 0.81 -1.54 0.22 0.00 -0.02 0.00 0.00 31.44 30.92 1vs7 n GLU 41 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1vs7 n GLU 42 N -1.57 3.03 -3.06 3.49 -0.58 -1.01 -5.01 120.64 115.92 1vs7 n GLU 42 Ca 0.03 -2.44 -0.05 0.00 -0.42 0.00 0.00 57.16 54.28 1vs7 n GLU 42 Cb 0.16 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.51 1vs7 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vs7 n GLY 43 N 0.39 -1.16 0.00 0.62 0.00 -0.92 -4.96 105.19 99.16 1vs7 n GLY 43 Ca 0.17 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1vs7 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vs7 n PHE 44 N -2.27 0.00 -3.73 1.61 3.72 -0.87 -4.99 117.46 110.93 1vs7 n PHE 44 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1vs7 n PHE 44 Cb 0.54 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.99 1vs7 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1vs7 s ILE 45 N -0.40 0.03 0.11 4.37 -4.36 -1.23 -4.15 121.20 115.56 1vs7 s ILE 45 Ca 0.00 -0.24 -0.24 0.00 -0.26 0.00 0.00 60.65 59.91 1vs7 s ILE 45 Cb 0.00 -0.64 -0.09 0.00 1.25 0.00 0.00 42.46 42.98 1vs7 s ILE 45 CO 0.00 -0.13 1.68 -0.33 0.24 0.00 0.00 174.94 176.40 1vs7 h GLU 46 N 4.43 -0.24 0.00 0.37 4.39 -1.25 -3.43 114.58 118.85 1vs7 h GLU 46 Ca -0.28 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1vs7 h GLU 46 Cb 1.17 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1vs7 h GLU 46 CO 0.34 -0.16 0.00 -3.47 -1.16 0.00 0.00 179.01 174.56 1vs7 n ASP 47 N -5.26 0.00 -4.03 1.42 2.03 -1.25 -5.02 116.55 104.44 1vs7 n ASP 47 Ca -0.06 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.15 1vs7 n ASP 47 Cb 0.18 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.52 1vs7 n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1vs7 s PHE 48 N -2.05 0.53 -0.30 -0.67 -0.71 -1.26 -1.29 117.98 112.24 1vs7 s PHE 48 Ca 0.00 -0.87 -0.08 0.00 -1.04 0.00 0.00 56.93 54.95 1vs7 s PHE 48 Cb 0.00 0.03 0.18 0.00 -1.21 0.00 0.00 43.02 42.03 1vs7 s PHE 48 CO 0.00 -0.92 0.86 0.21 -1.34 0.00 0.00 175.22 174.03 1vs7 s LYS 49 N -4.04 0.35 -0.74 1.99 2.20 -0.52 -5.01 119.74 113.98 1vs7 s LYS 49 Ca 0.26 0.60 -0.26 0.00 -0.36 0.00 0.00 55.97 56.21 1vs7 s LYS 49 Cb 0.01 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1vs7 s LYS 49 CO 0.10 -0.39 1.79 0.54 -0.36 0.00 0.00 175.35 177.03 1vs7 s VAL 50 N 2.91 3.46 -0.17 4.02 0.11 -1.26 -2.70 120.40 126.77 1vs7 s VAL 50 Ca 0.09 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1vs7 s VAL 50 Cb -0.12 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.55 1vs7 s VAL 50 CO -0.16 -1.09 0.06 -1.61 -3.33 0.00 0.00 175.10 168.97 1vs7 s GLU 51 N 6.75 3.84 0.00 1.54 2.02 -1.23 -4.85 118.70 126.78 1vs7 s GLU 51 Ca 0.63 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.29 1vs7 s GLU 51 Cb -0.10 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1vs7 s GLU 51 CO 0.12 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1vs7 n GLY 52 N 3.27 4.01 0.00 -1.39 0.00 -1.26 -1.49 105.19 108.33 1vs7 n GLY 52 Ca -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1vs7 n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vs7 n ASP 53 N 0.00 0.00 0.20 1.61 3.85 -1.26 -4.51 116.55 116.44 1vs7 n ASP 53 Ca 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 54.23 1vs7 n ASP 53 Cb 0.00 0.00 0.69 0.00 -1.35 0.00 0.00 41.12 40.46 1vs7 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1vs7 h THR 54 N 0.00 0.00 -3.27 2.12 1.03 -2.05 -3.24 112.91 107.50 1vs7 h THR 54 Ca 0.00 -0.17 -0.68 0.00 -0.01 0.00 0.00 66.41 65.55 1vs7 h THR 54 Cb 0.00 0.91 -0.37 0.00 -1.07 0.00 0.00 68.15 67.62 1vs7 h THR 54 CO 0.00 0.00 -0.26 -0.54 -0.01 0.00 0.00 175.52 174.71 1vs7 s LYS 55 N -3.60 2.96 -0.14 0.00 -0.14 -1.26 -5.07 119.74 112.49 1vs7 s LYS 55 Ca -0.00 -3.23 -0.29 0.00 -1.36 0.00 0.00 55.97 51.08 1vs7 s LYS 55 Cb 0.09 -3.77 -0.03 0.00 -1.68 0.00 0.00 37.83 32.44 1vs7 s LYS 55 CO 0.36 -1.26 1.39 -1.25 -0.76 0.00 0.00 175.35 173.83 1vs7 s PRO 56 N -1.27 4.19 0.00 -1.68 0.04 -1.23 -4.59 135.00 130.47 1vs7 s PRO 56 Ca 0.26 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1vs7 s PRO 56 Cb -0.08 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1vs7 s PRO 56 CO -0.13 -0.79 0.00 0.39 0.04 0.00 0.00 177.00 176.52 1vs7 n GLU 57 N 6.83 0.65 -3.20 4.56 1.02 -0.55 -0.86 120.64 129.09 1vs7 n GLU 57 Ca 0.15 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 1vs7 n GLU 57 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.82 1vs7 n GLU 57 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1vs7 s LEU 58 N 0.00 -0.58 -0.04 -4.62 0.20 0.10 -3.51 118.68 110.23 1vs7 s LEU 58 Ca 0.00 -1.57 -0.30 0.00 0.69 0.00 0.00 54.13 52.96 1vs7 s LEU 58 Cb 0.00 1.11 -0.06 0.00 -0.43 0.00 0.00 46.19 46.81 1vs7 s LEU 58 CO 0.00 -0.18 1.68 -0.70 -0.29 0.00 0.00 176.35 176.86 1vs7 s GLU 59 N 1.27 4.18 -0.16 1.98 2.12 -1.10 -3.65 118.70 123.35 1vs7 s GLU 59 Ca 0.21 2.23 -0.00 0.00 0.36 0.00 0.00 54.97 57.77 1vs7 s GLU 59 Cb -0.07 -3.98 0.04 0.00 0.26 0.00 0.00 34.13 30.38 1vs7 s GLU 59 CO -0.06 -0.85 -0.06 -1.17 -0.54 0.00 0.00 175.26 172.58 1vs7 s LEU 60 N 3.99 1.60 -0.09 2.70 2.96 -0.29 -1.43 118.68 128.12 1vs7 s LEU 60 Ca 0.75 -0.64 -0.24 0.00 -0.22 0.00 0.00 54.13 53.78 1vs7 s LEU 60 Cb -0.34 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 1vs7 s LEU 60 CO 0.31 -0.17 0.73 0.42 -1.32 0.00 0.00 176.35 176.32 1vs7 s THR 61 N 1.63 5.01 1.06 3.68 -4.23 -0.41 -0.63 115.64 121.75 1vs7 s THR 61 Ca 0.01 1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 61.86 1vs7 s THR 61 Cb -0.15 -4.07 0.22 0.00 1.34 0.00 0.00 72.50 69.84 1vs7 s THR 61 CO -0.08 0.20 1.14 -0.76 -0.54 0.00 0.00 174.62 174.59 1vs7 s LEU 62 N 1.09 1.48 -0.02 4.79 1.02 -0.10 -1.39 118.68 125.54 1vs7 s LEU 62 Ca 0.38 0.77 -0.00 0.00 0.02 0.00 0.00 54.13 55.30 1vs7 s LEU 62 Cb -0.18 -2.78 0.03 0.00 0.02 0.00 0.00 46.19 43.28 1vs7 s LEU 62 CO 0.17 -3.35 0.03 -0.75 0.02 0.00 0.00 176.35 172.47 1vs7 s LYS 63 N -5.35 0.00 0.00 1.70 2.20 -1.26 -3.43 119.74 113.60 1vs7 s LYS 63 Ca 0.68 0.20 0.06 0.00 -0.36 0.00 0.00 55.97 56.56 1vs7 s LYS 63 Cb -0.12 -0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 35.86 1vs7 s LYS 63 CO 0.55 -0.19 -0.19 0.71 -0.36 0.00 0.00 175.35 175.87 1vs7 s TYR 64 N 1.22 1.70 0.00 4.03 1.51 -1.26 -2.90 117.35 121.65 1vs7 s TYR 64 Ca -0.07 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1vs7 s TYR 64 Cb -0.13 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1vs7 s TYR 64 CO -0.03 0.00 0.00 0.34 -1.11 0.00 0.00 175.55 174.75 1vs7 n PHE 65 N 2.41 0.00 0.00 2.71 7.35 -1.11 -4.96 117.46 123.86 1vs7 n PHE 65 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1vs7 n PHE 65 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1vs7 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1vs7 n GLN 66 N 0.00 0.00 0.00 -4.13 1.13 -1.26 -4.73 117.38 108.39 1vs7 n GLN 66 Ca 0.00 0.22 -0.01 0.00 -1.94 0.00 0.00 57.00 55.27 1vs7 n GLN 66 Cb 0.00 -0.72 -0.00 0.00 0.11 0.00 0.00 30.24 29.63 1vs7 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vs7 n GLY 67 N -0.44 -0.11 3.63 1.08 0.00 -1.26 -5.07 105.19 103.03 1vs7 n GLY 67 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1vs7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs7 s LYS 68 N -1.54 -1.35 0.00 1.61 3.01 -1.26 -5.03 119.74 115.18 1vs7 s LYS 68 Ca -0.03 -0.27 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 1vs7 s LYS 68 Cb 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 37.83 35.23 1vs7 s LYS 68 CO 0.05 -3.76 0.00 0.00 0.51 0.00 0.00 175.35 172.15 1vs7 n ALA 69 N -4.75 0.00 -0.03 5.17 0.00 -1.26 -2.75 120.51 116.89 1vs7 n ALA 69 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1vs7 n ALA 69 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1vs7 n ALA 69 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vs7 n VAL 70 N 0.00 0.00 -3.55 0.00 0.24 -1.14 -3.76 118.33 110.12 1vs7 n VAL 70 Ca 0.00 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.64 1vs7 n VAL 70 Cb 0.00 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.32 1vs7 n VAL 70 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1vs7 s VAL 71 N -0.47 4.36 0.31 3.34 -7.23 -1.26 -4.74 120.40 114.71 1vs7 s VAL 71 Ca 0.00 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1vs7 s VAL 71 Cb 0.00 -3.75 0.28 0.00 0.56 0.00 0.00 36.38 33.47 1vs7 s VAL 71 CO 0.00 -0.64 1.91 -0.08 -0.31 0.00 0.00 175.10 175.99 1vs7 h GLU 72 N 8.48 0.98 0.00 4.82 4.22 -1.93 -3.45 114.58 127.69 1vs7 h GLU 72 Ca -0.23 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1vs7 h GLU 72 Cb 1.08 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1vs7 h GLU 72 CO 0.82 0.65 0.00 0.45 -2.18 0.00 0.00 179.01 178.75 1vs7 n SER 73 N -4.49 0.00 -3.72 1.04 2.88 -1.26 -5.01 113.62 103.07 1vs7 n SER 73 Ca 0.13 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.38 1vs7 n SER 73 Cb 0.20 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.52 1vs7 n SER 73 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1vs7 s ILE 74 N -0.49 1.12 0.12 2.46 2.07 -1.26 -3.86 121.20 121.36 1vs7 s ILE 74 Ca 0.00 -1.97 0.06 0.00 -1.41 0.00 0.00 60.65 57.33 1vs7 s ILE 74 Cb 0.00 -1.81 -0.04 0.00 0.13 0.00 0.00 42.46 40.74 1vs7 s ILE 74 CO 0.00 -0.79 -0.03 -1.58 -1.91 0.00 0.00 174.94 170.63 1vs7 s GLN 75 N 0.99 2.38 0.75 3.50 2.00 -1.25 -4.69 119.66 123.35 1vs7 s GLN 75 Ca 0.14 -0.99 -0.11 0.00 -2.00 0.00 0.00 55.36 52.40 1vs7 s GLN 75 Cb -0.21 -2.41 0.05 0.00 0.80 0.00 0.00 33.01 31.24 1vs7 s GLN 75 CO -0.11 0.50 1.10 0.50 -0.50 0.00 0.00 175.29 176.77 1vs7 s ARG 76 N -2.52 2.34 0.00 1.67 6.06 -1.26 -3.32 118.95 121.92 1vs7 s ARG 76 Ca 0.25 1.21 0.00 0.00 -2.50 0.00 0.00 55.73 54.70 1vs7 s ARG 76 Cb -0.11 -1.90 0.00 0.00 0.06 0.00 0.00 34.95 33.00 1vs7 s ARG 76 CO 0.17 -1.59 0.00 0.28 -2.50 0.00 0.00 175.30 171.67 1vs7 n VAL 77 N -3.33 0.00 -0.13 7.11 0.31 0.21 -4.82 118.33 117.68 1vs7 n VAL 77 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1vs7 n VAL 77 Cb 0.53 -0.12 0.20 0.00 -0.91 0.00 0.00 33.84 33.53 1vs7 n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vs7 n SER 78 N -1.73 3.63 -4.24 4.52 2.88 -0.31 -4.49 113.62 113.88 1vs7 n SER 78 Ca 0.00 -2.63 -0.38 0.00 -1.33 0.00 0.00 58.87 54.53 1vs7 n SER 78 Cb 0.11 -0.63 0.03 0.00 -0.75 0.00 0.00 64.21 62.96 1vs7 n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1vs7 n ARG 79 N 0.14 0.08 -0.81 -1.46 1.85 -1.26 -4.46 116.66 110.74 1vs7 n ARG 79 Ca 0.21 0.04 -0.30 0.00 -1.00 0.00 0.00 57.85 56.79 1vs7 n ARG 79 Cb 0.89 -1.19 0.26 0.00 -1.05 0.00 0.00 32.46 31.37 1vs7 n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1vs7 s PRO 80 N -1.62 -1.79 -1.57 2.89 0.04 -1.26 -3.01 135.00 128.68 1vs7 s PRO 80 Ca 0.55 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1vs7 s PRO 80 Cb -0.39 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1vs7 s PRO 80 CO 0.68 -4.11 0.00 0.41 0.04 0.00 0.00 177.00 174.02 1vs7 n GLY 81 N -0.07 0.71 0.00 0.56 0.00 -1.26 -4.48 105.19 100.65 1vs7 n GLY 81 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1vs7 n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vs7 n LEU 82 N -2.40 0.00 -4.71 0.99 -0.00 -1.24 -5.14 117.00 104.50 1vs7 n LEU 82 Ca -0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.42 1vs7 n LEU 82 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.96 1vs7 n LEU 82 CO 0.23 0.00 1.40 0.54 -0.00 0.00 0.00 177.39 179.56 1vs7 n ARG 83 N 0.00 2.77 -4.05 1.96 1.74 -1.16 -4.59 116.66 113.33 1vs7 n ARG 83 Ca 0.00 1.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.72 1vs7 n ARG 83 Cb 0.00 -2.86 -0.07 0.00 -1.02 0.00 0.00 32.46 28.51 1vs7 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vs7 s ILE 84 N 1.52 5.08 0.19 0.55 1.01 -1.26 -5.06 121.20 123.23 1vs7 s ILE 84 Ca 0.77 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.46 1vs7 s ILE 84 Cb -0.50 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1vs7 s ILE 84 CO 0.33 0.59 -0.01 -0.31 0.00 0.00 0.00 174.94 175.54 1vs7 s TYR 85 N -1.00 1.33 0.23 3.97 1.51 -1.26 -4.27 117.35 117.86 1vs7 s TYR 85 Ca 0.15 -0.95 -0.12 0.00 -1.01 0.00 0.00 57.07 55.14 1vs7 s TYR 85 Cb -0.12 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1vs7 s TYR 85 CO 0.04 -0.12 0.44 0.15 -1.11 0.00 0.00 175.55 174.96 1vs7 s LYS 86 N -3.87 1.47 0.25 -0.62 -0.14 -1.26 -4.91 119.74 110.65 1vs7 s LYS 86 Ca 0.24 -1.23 0.08 0.00 -1.36 0.00 0.00 55.97 53.70 1vs7 s LYS 86 Cb 0.05 0.45 -0.04 0.00 -1.68 0.00 0.00 37.83 36.62 1vs7 s LYS 86 CO 0.05 -0.60 0.10 1.03 -0.76 0.00 0.00 175.35 175.18 1vs7 s ARG 87 N -4.01 2.65 0.35 1.68 0.52 -1.08 -4.49 118.95 114.57 1vs7 s ARG 87 Ca 0.22 -1.19 0.08 0.00 -0.52 0.00 0.00 55.73 54.31 1vs7 s ARG 87 Cb 0.00 -2.40 0.79 0.00 0.52 0.00 0.00 34.95 33.87 1vs7 s ARG 87 CO 0.07 0.39 1.87 -0.22 0.02 0.00 0.00 175.30 177.43 1vs7 h LYS 88 N 1.75 0.70 -1.19 3.54 3.11 -1.85 0.32 116.57 122.95 1vs7 h LYS 88 Ca -0.47 -0.04 -0.50 0.00 -2.81 0.00 0.00 60.65 56.83 1vs7 h LYS 88 Cb 1.24 -0.16 -0.23 0.00 -1.00 0.00 0.00 32.23 32.09 1vs7 h LYS 88 CO 0.61 0.46 0.65 -0.40 -2.81 0.00 0.00 179.45 177.96 1vs7 n ASP 89 N -4.57 6.57 -2.88 4.20 5.68 -1.26 -4.55 116.55 119.75 1vs7 n ASP 89 Ca 0.17 -3.43 0.01 0.00 -0.50 0.00 0.00 54.79 51.03 1vs7 n ASP 89 Cb 0.45 -0.97 0.01 0.00 -1.14 0.00 0.00 41.12 39.47 1vs7 n ASP 89 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1vs7 s GLU 90 N -2.88 0.42 0.01 0.11 2.12 0.11 -5.17 118.70 113.41 1vs7 s GLU 90 Ca 0.49 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.54 1vs7 s GLU 90 Cb 0.39 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1vs7 s GLU 90 CO 0.01 -0.58 0.16 -0.51 -0.54 0.00 0.00 175.26 173.79 1vs7 s LEU 91 N 1.73 1.48 1.06 2.70 1.43 -1.25 -2.64 118.68 123.19 1vs7 s LEU 91 Ca 0.17 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1vs7 s LEU 91 Cb 0.02 0.76 0.22 0.00 0.03 0.00 0.00 46.19 47.23 1vs7 s LEU 91 CO -0.12 -0.41 1.07 -2.16 0.23 0.00 0.00 176.35 174.96 1vs7 s PRO 92 N -1.63 -0.04 -0.01 1.29 0.04 -1.26 -5.02 135.00 128.37 1vs7 s PRO 92 Ca -0.13 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1vs7 s PRO 92 Cb -0.06 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1vs7 s PRO 92 CO 0.01 -3.10 -0.01 1.17 0.04 0.00 0.00 177.00 175.10 1vs7 n LYS 93 N -4.47 0.08 -2.02 4.56 3.00 -1.26 -4.91 118.16 113.14 1vs7 n LYS 93 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1vs7 n LYS 93 Cb 0.55 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.56 1vs7 n LYS 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vs7 n VAL 94 N -2.54-12.00 -3.35 3.15 0.31 -1.26 -2.47 118.33 100.17 1vs7 n VAL 94 Ca -0.03 2.86 -0.20 0.00 -0.01 0.00 0.00 64.34 66.96 1vs7 n VAL 94 Cb 0.53 -5.41 -0.02 0.00 -0.91 0.00 0.00 33.84 28.02 1vs7 n VAL 94 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1vs7 n MET 95 N 1.61 -2.43 -2.99 5.55 2.81 -1.26 -0.19 117.12 120.22 1vs7 n MET 95 Ca 0.00 0.22 -0.21 0.00 -1.81 0.00 0.00 57.70 55.90 1vs7 n MET 95 Cb 0.00 -4.82 0.04 0.00 -0.71 0.00 0.00 33.22 27.73 1vs7 n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vs7 n ALA 96 N -3.25 -0.92 0.00 3.04 0.00 -1.26 -2.91 120.51 115.21 1vs7 n ALA 96 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1vs7 n ALA 96 Cb 0.50 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.18 1vs7 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 97 N -1.50 2.74 0.39 0.00 0.00 0.74 -4.89 105.19 102.66 1vs7 n GLY 97 Ca -0.10 -0.26 0.19 0.00 0.00 0.00 0.00 46.02 45.84 1vs7 n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vs7 h LEU 98 N 0.00 0.19-10.08 0.99 3.38 -1.58 -3.41 115.31 104.80 1vs7 h LEU 98 Ca 0.00 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 1vs7 h LEU 98 Cb 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1vs7 h LEU 98 CO 0.00 0.10 -0.43 -0.83 0.09 0.00 0.00 178.44 177.37 1vs7 s GLY 99 N -3.91 1.86 0.31 0.83 0.00 -1.14 -4.96 107.32 100.31 1vs7 s GLY 99 Ca -0.06 -1.71 0.11 0.00 0.00 0.00 0.00 44.72 43.06 1vs7 s GLY 99 CO 0.75 -1.60 -0.15 -0.26 0.00 0.00 0.00 173.10 171.84 1vs7 s ILE 100 N -2.34 2.39 -0.27 0.90 -5.25 -1.23 -4.65 121.20 110.75 1vs7 s ILE 100 Ca 0.43 -2.31 -0.03 0.00 -0.99 0.00 0.00 60.65 57.76 1vs7 s ILE 100 Cb -0.05 -2.47 0.09 0.00 2.95 0.00 0.00 42.46 42.97 1vs7 s ILE 100 CO 0.27 -0.31 0.09 0.00 -1.79 0.00 0.00 174.94 173.20 1vs7 s ALA 101 N -2.55 1.06 0.04 2.27 0.00 -1.26 -1.38 121.76 119.94 1vs7 s ALA 101 Ca 0.31 -1.17 -0.36 0.00 0.00 0.00 0.00 51.96 50.75 1vs7 s ALA 101 Cb -0.02 -1.40 -0.15 0.00 0.00 0.00 0.00 23.12 21.55 1vs7 s ALA 101 CO 0.16 -1.50 1.53 1.33 0.00 0.00 0.00 175.76 177.28 1vs7 n VAL 102 N 5.04 0.11 -3.77 0.00 0.24 -0.81 -2.02 118.33 117.12 1vs7 n VAL 102 Ca -0.05 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 1vs7 n VAL 102 Cb 0.44 -1.22 -0.16 0.00 -1.47 0.00 0.00 33.84 31.43 1vs7 n VAL 102 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1vs7 s VAL 103 N 1.45 0.81 -0.50 3.34 1.01 -0.27 -0.27 120.40 125.97 1vs7 s VAL 103 Ca 0.86 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1vs7 s VAL 103 Cb -0.86 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1vs7 s VAL 103 CO 0.47 -0.33 1.90 -0.55 0.00 0.00 0.00 175.10 176.60 1vs7 s SER 104 N 1.70 5.38 0.58 3.32 0.15 0.22 -2.17 113.70 122.89 1vs7 s SER 104 Ca 0.01 0.75 0.04 0.00 0.70 0.00 0.00 55.95 57.45 1vs7 s SER 104 Cb -0.17 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1vs7 s SER 104 CO -0.13 -2.21 0.81 0.42 1.20 0.00 0.00 173.24 173.33 1vs7 s THR 105 N 8.71 2.44 -0.10 6.45 -4.23 0.12 0.62 115.64 129.66 1vs7 s THR 105 Ca 0.75 -0.78 0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1vs7 s THR 105 Cb -0.16 -2.66 0.33 0.00 1.34 0.00 0.00 72.50 71.34 1vs7 s THR 105 CO 0.26 0.00 1.89 -1.28 -0.54 0.00 0.00 174.62 174.95 1vs7 h SER 106 N 0.01 0.00 -0.40 3.99 0.87 -1.93 -2.39 113.55 113.71 1vs7 h SER 106 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1vs7 h SER 106 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1vs7 h SER 106 CO 0.45 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 177.04 1vs7 n LYS 107 N -2.69 3.02 0.00 2.24 4.76 -1.26 -5.07 118.16 119.16 1vs7 n LYS 107 Ca 0.01 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.02 1vs7 n LYS 107 Cb 0.23 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1vs7 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vs7 n GLY 108 N 0.43 1.98 3.45 0.72 0.00 -0.90 -4.98 105.19 105.89 1vs7 n GLY 108 Ca 0.17 -2.05 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 1vs7 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs7 s VAL 109 N -1.53 4.62 0.00 1.61 1.01 -1.26 0.13 120.40 124.98 1vs7 s VAL 109 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1vs7 s VAL 109 Cb 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1vs7 s VAL 109 CO 0.00 -1.49 0.00 0.23 0.00 0.00 0.00 175.10 173.84 1vs7 n MET 110 N 6.86 1.20 -3.86 2.72 2.81 -0.92 -4.85 117.12 121.08 1vs7 n MET 110 Ca 0.16 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.80 1vs7 n MET 110 Cb 0.48 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.98 1vs7 n MET 110 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vs7 s THR 111 N 0.67 1.80 0.20 2.03 -4.23 -1.26 -1.11 115.64 113.74 1vs7 s THR 111 Ca 0.00 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1vs7 s THR 111 Cb 0.00 -2.28 0.14 0.00 1.34 0.00 0.00 72.50 71.70 1vs7 s THR 111 CO 0.00 0.00 1.73 -2.24 -0.54 0.00 0.00 174.62 173.57 1vs7 h ASP 112 N 0.81 0.15 0.02 3.99 2.03 -1.76 0.19 116.42 121.85 1vs7 h ASP 112 Ca -0.37 0.09 -0.12 0.00 -0.73 0.00 0.00 57.03 55.89 1vs7 h ASP 112 Cb 1.30 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.87 1vs7 h ASP 112 CO 0.58 0.09 -0.61 -0.09 -1.03 0.00 0.00 179.24 178.18 1vs7 h ARG 113 N 0.35 0.05 0.00 4.15 2.43 -1.91 -3.31 114.38 116.14 1vs7 h ARG 113 Ca 0.30 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1vs7 h ARG 113 Cb 0.39 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1vs7 h ARG 113 CO -0.33 1.04 0.26 0.00 -1.51 0.00 0.00 179.97 179.43 1vs7 h ALA 114 N -0.16 1.24 0.09 2.80 0.00 -1.92 -1.94 119.26 119.38 1vs7 h ALA 114 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vs7 h ALA 114 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1vs7 h ALA 114 CO -0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 178.91 1vs7 h ALA 115 N 1.44 -0.13 -0.90 0.00 0.00 -0.71 -3.28 119.26 115.68 1vs7 h ALA 115 Ca 0.00 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1vs7 h ALA 115 Cb 0.52 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 1vs7 h ALA 115 CO 0.00 -0.13 0.42 0.00 0.00 0.00 0.00 179.25 179.55 1vs7 h ARG 116 N -1.02 0.44 -0.06 0.00 3.08 -1.45 -0.91 114.38 114.47 1vs7 h ARG 116 Ca -0.01 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1vs7 h ARG 116 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1vs7 h ARG 116 CO 0.02 0.29 -0.30 0.37 -1.07 0.00 0.00 179.97 179.29 1vs7 h GLN 117 N 0.46 -0.32 -0.52 0.04 4.15 -1.59 -1.17 115.11 116.16 1vs7 h GLN 117 Ca 0.55 0.02 0.07 0.00 0.77 0.00 0.00 58.65 60.06 1vs7 h GLN 117 Cb 1.01 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 1vs7 h GLN 117 CO -0.49 -0.21 0.35 0.00 -1.93 0.00 0.00 178.83 176.54 1vs7 h ALA 118 N -0.83 1.92 0.00 3.38 0.00 -1.45 -3.46 119.26 118.81 1vs7 h ALA 118 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vs7 h ALA 118 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vs7 h ALA 118 CO -0.23 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1vs7 n GLY 119 N -1.51 1.03 3.99 0.00 0.00 -0.41 -5.10 105.19 103.20 1vs7 n GLY 119 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1vs7 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vs7 s LEU 120 N 0.00 3.00 -0.15 0.99 2.01 -1.16 -4.71 118.68 118.66 1vs7 s LEU 120 Ca 0.00 -0.38 0.08 0.00 0.01 0.00 0.00 54.13 53.84 1vs7 s LEU 120 Cb 0.00 -2.00 0.21 0.00 0.01 0.00 0.00 46.19 44.41 1vs7 s LEU 120 CO 0.00 -1.79 1.23 0.61 1.01 0.00 0.00 176.35 177.41 1vs7 n GLY 121 N -2.77 1.20 0.00 -3.19 0.00 -1.26 -3.82 105.19 95.34 1vs7 n GLY 121 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vs7 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs7 n GLY 122 N -0.61 -0.85 3.16 -0.02 0.00 -1.25 -4.01 105.19 101.61 1vs7 n GLY 122 Ca -0.21 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1vs7 n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vs7 s GLU 123 N -0.37 0.30 0.45 1.61 2.12 0.20 -4.41 118.70 118.60 1vs7 s GLU 123 Ca 0.00 0.54 -0.25 0.00 0.36 0.00 0.00 54.97 55.63 1vs7 s GLU 123 Cb 0.00 0.30 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 1vs7 s GLU 123 CO 0.00 -0.32 1.34 1.51 -0.54 0.00 0.00 175.26 177.26 1vs7 n ILE 124 N 5.45 2.84 -0.01 -3.70 0.13 -1.26 -0.61 119.36 122.19 1vs7 n ILE 124 Ca -0.05 -0.50 -0.02 0.00 -1.10 0.00 0.00 62.75 61.08 1vs7 n ILE 124 Cb 0.53 -1.69 -0.02 0.00 -0.84 0.00 0.00 39.64 37.62 1vs7 n ILE 124 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1vs7 n ILE 125 N -0.34 0.17 0.00 9.51 5.41 0.63 -4.03 119.36 130.71 1vs7 n ILE 125 Ca 0.07 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1vs7 n ILE 125 Cb 0.41 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1vs7 n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs7 s TYR 127 N -2.00 2.42 0.32 0.00 1.13 -1.21 -1.92 117.35 116.08 1vs7 s TYR 127 Ca 0.00 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1vs7 s TYR 127 Cb 0.00 -1.69 -0.01 0.00 -1.10 0.00 0.00 41.96 39.15 1vs7 s TYR 127 CO 0.00 0.37 0.38 0.14 -2.51 0.00 0.00 175.55 173.93 1vs7 s VAL 128 N -2.81 0.00 -2.00 -3.49 -7.23 -0.48 -3.74 120.40 100.65 1vs7 s VAL 128 Ca 0.35 -1.76 0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1vs7 s VAL 128 Cb 0.10 -2.56 0.24 0.00 0.56 0.00 0.00 36.38 34.72 1vs7 s VAL 128 CO 0.17 0.00 0.97 0.00 -0.31 0.00 0.00 175.10 175.93