#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s LYS 60 N 0.00 4.42 0.24 -3.48 0.00 -1.26 -4.91 119.74 114.75 1s1i s LYS 60 Ca 0.00 2.04 0.07 0.00 0.00 0.00 0.00 55.97 58.08 1s1i s LYS 60 Cb 0.00 -3.18 0.26 0.00 0.00 0.00 0.00 37.83 34.91 1s1i s LYS 60 CO 0.00 -0.19 1.56 -0.24 0.00 0.00 0.00 175.35 176.48 1s1i h VAL 61 N 3.59 1.43 0.09 1.79 3.04 -1.95 -3.40 116.25 120.83 1s1i h VAL 61 Ca -0.45 -2.15 -0.00 0.00 -1.01 0.00 0.00 66.70 63.08 1s1i h VAL 61 Cb 1.22 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 1s1i h VAL 61 CO 0.74 0.62 -0.04 0.16 -1.01 0.00 0.00 177.57 178.04 1s1i h ILE 62 N 0.08 1.15 -2.21 3.17 -0.00 -1.86 -3.33 117.51 114.51 1s1i h ILE 62 Ca -0.01 -1.03 0.11 0.00 -0.00 0.00 0.00 64.86 63.93 1s1i h ILE 62 Cb 1.16 1.79 -0.03 0.00 -0.00 0.00 0.00 36.82 39.75 1s1i h ILE 62 CO 0.09 0.25 -0.15 1.21 -0.00 0.00 0.00 178.15 179.55 1s1i n GLU 63 N -4.92 -0.83 -4.20 0.16 4.07 -1.26 -3.55 120.64 110.10 1s1i n GLU 63 Ca -0.09 0.55 -0.29 0.00 -0.06 0.00 0.00 57.16 57.28 1s1i n GLU 63 Cb 0.25 -1.02 -0.09 0.00 -0.06 0.00 0.00 31.44 30.53 1s1i n GLU 63 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1s1i s GLN 64 N -0.65 2.28 0.38 5.31 -2.07 -1.26 -4.93 119.66 118.72 1s1i s GLN 64 Ca 0.00 -1.03 -0.22 0.00 -1.82 0.00 0.00 55.36 52.29 1s1i s GLN 64 Cb 0.00 -2.35 -0.16 0.00 -1.09 0.00 0.00 33.01 29.41 1s1i s GLN 64 CO 0.00 0.49 0.13 -0.35 -1.32 0.00 0.00 175.29 174.24 1s1i n PRO 65 N 0.37 0.00 -3.74 9.60 -0.04 -1.26 -4.41 135.00 135.52 1s1i n PRO 65 Ca -0.12 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 1s1i n PRO 65 Cb 0.53 -0.99 -0.12 0.00 -0.04 0.00 0.00 33.50 32.89 1s1i n PRO 65 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1s1i s ILE 66 N -1.59 4.69 -0.18 0.52 -1.16 -1.26 -4.74 121.20 117.49 1s1i s ILE 66 Ca 0.59 -0.05 -0.01 0.00 -0.51 0.00 0.00 60.65 60.67 1s1i s ILE 66 Cb -0.66 -3.20 -0.00 0.00 0.61 0.00 0.00 42.46 39.21 1s1i s ILE 66 CO 0.62 0.33 -0.11 0.28 -2.81 0.00 0.00 174.94 173.24 1s1i s THR 67 N 1.47 2.93 0.33 4.00 -1.32 -1.26 -4.48 115.64 117.30 1s1i s THR 67 Ca 0.06 -0.67 -0.17 0.00 -1.21 0.00 0.00 61.69 59.71 1s1i s THR 67 Cb -0.15 -2.27 0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1s1i s THR 67 CO 0.05 0.49 0.71 -0.44 -2.21 0.00 0.00 174.62 173.22 1s1i s SER 68 N 1.00 -0.05 0.26 8.08 0.01 -1.26 -4.96 113.70 116.77 1s1i s SER 68 Ca -0.01 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 1s1i s SER 68 Cb -0.15 0.76 0.34 0.00 0.21 0.00 0.00 66.02 67.18 1s1i s SER 68 CO -0.02 -1.47 1.79 -0.08 0.41 0.00 0.00 173.24 173.87 1s1i h GLU 69 N 2.03 0.86 -0.51 12.44 4.22 -1.98 0.55 114.58 132.19 1s1i h GLU 69 Ca -0.26 -0.20 -0.12 0.00 0.08 0.00 0.00 59.36 58.86 1s1i h GLU 69 Cb 1.25 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1s1i h GLU 69 CO 0.33 0.80 -0.16 0.00 -2.18 0.00 0.00 179.01 177.80 1s1i h THR 70 N 0.82 1.27 -0.20 0.32 1.03 -1.99 -2.73 112.91 111.43 1s1i h THR 70 Ca 0.17 -1.32 -0.01 0.00 -0.01 0.00 0.00 66.41 65.24 1s1i h THR 70 Cb 0.36 1.04 -0.01 0.00 -1.07 0.00 0.00 68.15 68.47 1s1i h THR 70 CO 0.01 0.46 0.09 0.00 -0.01 0.00 0.00 175.52 176.07 1s1i h ALA 71 N 0.92 0.25 -0.17 0.00 0.00 -1.44 -2.27 119.26 116.55 1s1i h ALA 71 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1s1i h ALA 71 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1s1i h ALA 71 CO 0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.98 1s1i h MET 72 N 0.18 0.28 -0.46 0.00 -0.00 0.08 0.79 114.93 115.80 1s1i h MET 72 Ca 0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1s1i h MET 72 Cb 0.14 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.68 1s1i h MET 72 CO -0.01 0.44 0.26 -0.22 -0.00 0.00 0.00 176.91 177.37 1s1i h LYS 73 N 0.26 0.64 -0.51 -0.10 1.63 -1.15 -2.21 116.57 115.13 1s1i h LYS 73 Ca 0.05 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1s1i h LYS 73 Cb 0.43 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1s1i h LYS 73 CO 0.03 0.50 0.27 -0.22 -3.45 0.00 0.00 179.45 176.57 1s1i h LYS 74 N 0.61 0.72 -5.10 1.90 1.63 -0.60 -1.86 116.57 113.87 1s1i h LYS 74 Ca 0.16 -0.09 -0.71 0.00 -0.85 0.00 0.00 60.65 59.16 1s1i h LYS 74 Cb 0.05 -0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.43 1s1i h LYS 74 CO -0.03 0.58 2.13 1.33 -3.45 0.00 0.00 179.45 180.01 1s1i n VAL 75 N -4.62 3.98 0.00 2.00 0.24 0.13 -3.73 118.33 116.33 1s1i n VAL 75 Ca 0.02 -4.12 0.00 0.00 -2.04 0.00 0.00 64.34 58.20 1s1i n VAL 75 Cb 0.10 -2.42 0.00 0.00 -1.47 0.00 0.00 33.84 30.05 1s1i n VAL 75 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1s1i n GLU 76 N 6.97 0.00 -2.02 7.34 2.13 -0.76 -4.78 120.64 129.52 1s1i n GLU 76 Ca 0.46 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.87 1s1i n GLU 76 Cb 0.43 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.12 1s1i n GLU 76 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1s1i s ASP 77 N -4.00 6.65 0.00 4.31 -4.77 -0.86 -4.39 116.67 113.61 1s1i s ASP 77 Ca 0.00 2.74 0.00 0.00 -3.30 0.00 0.00 52.55 51.99 1s1i s ASP 77 Cb 0.00 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1s1i s ASP 77 CO 0.00 -0.66 0.00 0.61 0.70 0.00 0.00 175.17 175.82 1s1i n GLY 78 N 1.35 -1.31 0.09 2.12 0.00 -1.25 -4.05 105.19 102.13 1s1i n GLY 78 Ca 0.03 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1s1i n GLY 78 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s1i h ASN 79 N 0.00 -0.07 -2.90 1.61 4.21 -1.77 -3.39 115.58 113.27 1s1i h ASN 79 Ca 0.00 -0.47 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1s1i h ASN 79 Cb 0.00 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1s1i h ASN 79 CO 0.00 0.46 0.33 0.00 -1.29 0.00 0.00 177.43 176.93 1s1i n ILE 80 N -4.88 0.00 -3.87 2.81 3.06 -1.24 -4.10 119.36 111.13 1s1i n ILE 80 Ca -0.09 -0.91 0.00 0.00 -2.50 0.00 0.00 62.75 59.26 1s1i n ILE 80 Cb 0.27 0.95 0.01 0.00 0.54 0.00 0.00 39.64 41.41 1s1i n ILE 80 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 1s1i s LEU 81 N 0.00 -0.02 0.00 9.51 -0.00 -1.10 -4.09 118.68 122.99 1s1i s LEU 81 Ca 0.17 -0.34 0.00 0.00 -0.00 0.00 0.00 54.13 53.96 1s1i s LEU 81 Cb -0.05 1.60 0.00 0.00 -0.00 0.00 0.00 46.19 47.75 1s1i s LEU 81 CO 0.11 -0.53 0.00 1.33 -0.00 0.00 0.00 176.35 177.25 1s1i n VAL 82 N -0.74 0.00 -3.46 1.48 0.24 -1.26 -4.83 118.33 109.77 1s1i n VAL 82 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.03 1s1i n VAL 82 Cb 0.60 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.95 1s1i n VAL 82 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1s1i s PHE 83 N -3.93 3.49 0.31 6.34 -0.71 -1.26 -4.35 117.98 117.87 1s1i s PHE 83 Ca 0.00 0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 56.14 1s1i s PHE 83 Cb 0.00 -1.93 0.06 0.00 -1.21 0.00 0.00 43.02 39.94 1s1i s PHE 83 CO 0.00 0.20 0.83 0.00 -1.34 0.00 0.00 175.22 174.91 1s1i n GLN 84 N -1.31 0.92 -1.15 1.99 10.64 -1.25 -4.39 117.38 122.84 1s1i n GLN 84 Ca -0.04 -1.88 0.00 0.00 -1.83 0.00 0.00 57.00 53.25 1s1i n GLN 84 Cb 0.55 2.40 0.00 0.00 -0.86 0.00 0.00 30.24 32.33 1s1i n GLN 84 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1s1i n VAL 85 N -0.57 0.00 -2.90 -0.39 3.14 -1.23 -4.26 118.33 112.12 1s1i n VAL 85 Ca -0.06 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.29 1s1i n VAL 85 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1s1i n VAL 85 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1s1i n SER 86 N -1.58 -7.53 -0.35 6.55 7.64 -1.26 -4.72 113.62 112.37 1s1i n SER 86 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1s1i n SER 86 Cb 0.00 -4.18 0.16 0.00 -1.01 0.00 0.00 64.21 59.18 1s1i n SER 86 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1s1i h MET 87 N 3.05 1.20 -4.09 1.43 4.05 -1.94 -2.07 114.93 116.56 1s1i h MET 87 Ca -0.03 -0.07 -0.73 0.00 -0.28 0.00 0.00 59.70 58.59 1s1i h MET 87 Cb 0.44 -0.27 -0.11 0.00 -0.80 0.00 0.00 31.60 30.86 1s1i h MET 87 CO 0.09 0.79 2.36 1.63 0.23 0.00 0.00 176.91 182.02 1s1i n LYS 88 N -4.43 3.27 -3.87 0.39 4.76 -1.26 -4.76 118.16 112.26 1s1i n LYS 88 Ca 0.13 -3.21 -0.11 0.00 -2.87 0.00 0.00 58.31 52.24 1s1i n LYS 88 Cb 0.08 -3.13 -0.11 0.00 -1.84 0.00 0.00 35.03 30.03 1s1i n LYS 88 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s1i s ALA 89 N 1.95 -0.28 0.23 7.82 0.00 -0.78 -5.02 121.76 125.68 1s1i s ALA 89 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1s1i s ALA 89 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1s1i s ALA 89 CO -0.02 -0.15 0.00 0.09 0.00 0.00 0.00 175.76 175.68 1s1i n ASN 90 N 2.00 0.00 -0.61 0.00 3.02 -1.26 -4.98 115.26 113.43 1s1i n ASN 90 Ca -0.19 -0.96 0.11 0.00 -0.03 0.00 0.00 54.58 53.50 1s1i n ASN 90 Cb 0.57 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.77 1s1i n ASN 90 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1s1i n LYS 91 N -0.96 1.60 0.08 3.52 0.00 -1.26 -3.12 118.16 118.01 1s1i n LYS 91 Ca 0.00 -1.26 -0.22 0.00 -0.00 0.00 0.00 58.31 56.84 1s1i n LYS 91 Cb 0.00 -1.43 -0.13 0.00 -0.00 0.00 0.00 35.03 33.47 1s1i n LYS 91 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1s1i h TYR 92 N 3.00 0.90 -0.82 5.58 0.05 -1.94 -3.33 116.97 120.40 1s1i h TYR 92 Ca 0.00 -0.58 -0.01 0.00 0.05 0.00 0.00 58.73 58.19 1s1i h TYR 92 Cb 0.78 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.42 1s1i h TYR 92 CO 0.00 1.43 0.47 1.96 -1.05 0.00 0.00 178.16 180.97 1s1i h GLN 93 N 0.12 1.14 -5.25 4.88 1.08 -1.95 -2.22 115.11 112.90 1s1i h GLN 93 Ca -0.18 -0.12 -0.65 0.00 -1.45 0.00 0.00 58.65 56.25 1s1i h GLN 93 Cb 1.83 -0.23 -0.16 0.00 -0.05 0.00 0.00 27.48 28.87 1s1i h GLN 93 CO 0.22 0.82 0.34 0.42 -0.95 0.00 0.00 178.83 179.68 1s1i s ILE 94 N -5.89 4.57 0.00 2.54 1.01 -1.18 -0.95 121.20 121.29 1s1i s ILE 94 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1s1i s ILE 94 Cb 0.16 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1s1i s ILE 94 CO 0.81 -1.17 0.00 1.17 0.00 0.00 0.00 174.94 175.75 1s1i n LYS 95 N 7.01 0.00 0.18 2.79 3.00 -1.18 -4.67 118.16 125.29 1s1i n LYS 95 Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.12 1s1i n LYS 95 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.40 1s1i n LYS 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1s1i h LYS 96 N 0.00 -0.41 -4.56 1.64 1.63 -1.35 -2.28 116.57 111.24 1s1i h LYS 96 Ca 0.00 0.03 -0.74 0.00 -0.85 0.00 0.00 60.65 59.09 1s1i h LYS 96 Cb 0.00 0.09 -0.20 0.00 -0.60 0.00 0.00 32.23 31.52 1s1i h LYS 96 CO 0.00 -0.16 0.98 0.00 -3.45 0.00 0.00 179.45 176.82 1s1i s ALA 97 N -5.41 3.96 0.27 5.00 0.00 -0.12 0.14 121.76 125.60 1s1i s ALA 97 Ca -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 51.96 48.53 1s1i s ALA 97 Cb 0.03 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1s1i s ALA 97 CO 0.60 -2.70 0.00 0.28 0.00 0.00 0.00 175.76 173.94 1s1i n VAL 98 N 4.49 0.00 -0.16 0.00 0.31 -1.19 -4.60 118.33 117.18 1s1i n VAL 98 Ca 0.30 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.56 1s1i n VAL 98 Cb 0.44 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.47 1s1i n VAL 98 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1s1i h LYS 99 N 0.00 0.93 -0.75 5.55 1.63 -1.07 -2.72 116.57 120.14 1s1i h LYS 99 Ca 0.00 -0.27 0.02 0.00 -0.85 0.00 0.00 60.65 59.55 1s1i h LYS 99 Cb 0.00 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 1s1i h LYS 99 CO 0.00 0.92 0.50 1.49 -3.45 0.00 0.00 179.45 178.91 1s1i h GLU 100 N 0.86 0.95 0.15 1.90 4.22 -0.54 -2.96 114.58 119.15 1s1i h GLU 100 Ca 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 1s1i h GLU 100 Cb 0.51 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1s1i h GLU 100 CO 0.03 0.63 -0.07 -0.07 -2.18 0.00 0.00 179.01 177.34 1s1i h LEU 101 N 0.98 -0.17 -9.09 1.64 3.38 -1.73 -3.47 115.31 106.84 1s1i h LEU 101 Ca 0.29 -0.27 -0.43 0.00 0.09 0.00 0.00 57.88 57.56 1s1i h LEU 101 Cb -0.05 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.60 1s1i h LEU 101 CO -0.07 0.19 -0.59 -0.72 0.09 0.00 0.00 178.44 177.34 1s1i s TYR 102 N -4.68 1.73 -0.63 1.13 1.13 -1.12 -5.07 117.35 109.84 1s1i s TYR 102 Ca -0.15 -1.15 -0.18 0.00 -1.41 0.00 0.00 57.07 54.19 1s1i s TYR 102 Cb 0.02 -1.06 0.12 0.00 -1.10 0.00 0.00 41.96 39.95 1s1i s TYR 102 CO 0.60 -0.24 0.70 -1.83 -2.51 0.00 0.00 175.55 172.28 1s1i s GLU 103 N -3.91 3.13 -0.01 -3.49 -1.05 -1.26 -4.48 118.70 107.63 1s1i s GLU 103 Ca 0.35 -1.54 -0.29 0.00 -0.15 0.00 0.00 54.97 53.34 1s1i s GLU 103 Cb 0.07 -4.33 0.08 0.00 -0.44 0.00 0.00 34.13 29.50 1s1i s GLU 103 CO 0.15 -1.50 0.71 0.08 0.95 0.00 0.00 175.26 175.65 1s1i s VAL 104 N 2.23 0.00 -0.16 1.83 1.01 -1.26 -5.01 120.40 119.03 1s1i s VAL 104 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 1s1i s VAL 104 Cb -0.22 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1s1i s VAL 104 CO 0.03 0.00 0.10 -1.81 0.00 0.00 0.00 175.10 173.42 1s1i s ASP 105 N -1.66 5.96 -0.39 3.32 1.01 -1.26 -4.61 116.67 119.03 1s1i s ASP 105 Ca -0.06 0.23 -0.13 0.00 0.71 0.00 0.00 52.55 53.31 1s1i s ASP 105 Cb -0.00 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.98 1s1i s ASP 105 CO 0.02 0.26 0.25 0.68 0.21 0.00 0.00 175.17 176.59 1s1i s VAL 106 N -0.14 4.87 0.01 -1.27 -7.23 -1.26 -1.03 120.40 114.34 1s1i s VAL 106 Ca 0.09 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.23 1s1i s VAL 106 Cb -0.12 -3.72 -0.17 0.00 0.56 0.00 0.00 36.38 32.94 1s1i s VAL 106 CO 0.01 -0.27 1.23 0.25 -0.31 0.00 0.00 175.10 176.01 1s1i h LEU 107 N 8.52 -0.34 -7.50 1.32 6.46 -1.39 -3.45 115.31 118.92 1s1i h LEU 107 Ca -0.26 -0.18 -0.19 0.00 -0.12 0.00 0.00 57.88 57.13 1s1i h LEU 107 Cb 1.11 0.09 -0.28 0.00 -0.73 0.00 0.00 40.66 40.85 1s1i h LEU 107 CO 0.70 0.03 -0.52 -0.54 -0.62 0.00 0.00 178.44 177.48 1s1i s LYS 108 N -4.64 0.19 -0.11 1.25 -0.14 -1.22 -4.99 119.74 110.08 1s1i s LYS 108 Ca -0.14 0.31 0.04 0.00 -1.36 0.00 0.00 55.97 54.81 1s1i s LYS 108 Cb 0.02 0.03 -0.00 0.00 -1.68 0.00 0.00 37.83 36.20 1s1i s LYS 108 CO 0.54 -0.06 -0.23 0.54 -0.76 0.00 0.00 175.35 175.38 1s1i s VAL 109 N 0.41 2.13 0.00 3.17 0.11 -1.26 -0.33 120.40 124.62 1s1i s VAL 109 Ca -0.03 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1s1i s VAL 109 Cb -0.04 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1s1i s VAL 109 CO -0.02 0.56 0.00 0.59 -3.33 0.00 0.00 175.10 172.90 1s1i n ASN 110 N 3.57 0.00 -2.28 3.54 4.13 -0.48 -4.91 115.26 118.82 1s1i n ASN 110 Ca -0.19 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 55.96 1s1i n ASN 110 Cb 0.53 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.73 1s1i n ASN 110 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1s1i n THR 111 N 0.00 0.00 0.00 3.41 -1.04 -1.26 -4.23 114.28 111.16 1s1i n THR 111 Ca 0.00 -1.33 0.00 0.00 -2.04 0.00 0.00 64.05 60.68 1s1i n THR 111 Cb 0.00 0.64 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1s1i n THR 111 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1s1i n LEU 112 N 0.00 0.00 0.23 -4.42 7.94 -0.64 -4.68 117.00 115.43 1s1i n LEU 112 Ca 0.03 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.84 1s1i n LEU 112 Cb 0.33 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.24 1s1i n LEU 112 CO 0.17 0.00 0.37 -0.37 -1.11 0.00 0.00 177.39 176.46 1s1i h VAL 113 N 0.00 0.00 0.00 1.96 -1.51 -1.86 0.14 116.25 114.97 1s1i h VAL 113 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1s1i h VAL 113 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 1s1i h VAL 113 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.88 1s1i n ARG 114 N -4.11 0.00 -2.44 5.19 5.12 -1.26 -3.55 116.66 115.60 1s1i n ARG 114 Ca -0.07 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.44 1s1i n ARG 114 Cb 0.24 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.50 1s1i n ARG 114 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1s1i s PRO 115 N 0.00 4.55 0.00 5.56 0.02 -1.26 -5.05 135.00 138.82 1s1i s PRO 115 Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1s1i s PRO 115 Cb 0.00 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1s1i s PRO 115 CO 0.00 0.03 0.00 -1.71 -0.33 0.00 0.00 177.00 174.99 1s1i n ASN 116 N 2.16 0.00 0.00 2.53 2.85 -1.26 -4.95 115.26 116.59 1s1i n ASN 116 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1s1i n ASN 116 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1s1i n ASN 116 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s1i n GLY 117 N -0.11 0.88 0.00 8.20 0.00 -1.26 -5.04 105.19 107.85 1s1i n GLY 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s1i n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s1i n THR 118 N -2.19 0.00 -4.25 2.61 -2.24 -1.26 -4.99 114.28 101.96 1s1i n THR 118 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1s1i n THR 118 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1s1i n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s1i s LYS 119 N 1.40 1.05 0.06 -0.78 -0.14 -1.23 -4.42 119.74 115.68 1s1i s LYS 119 Ca 0.00 -1.40 0.03 0.00 -1.36 0.00 0.00 55.97 53.25 1s1i s LYS 119 Cb 0.00 -0.68 -0.03 0.00 -1.68 0.00 0.00 37.83 35.44 1s1i s LYS 119 CO 0.00 0.10 -0.11 0.21 -0.76 0.00 0.00 175.35 174.79 1s1i s LYS 120 N -3.49 0.66 -0.23 1.68 2.47 0.03 -3.84 119.74 117.02 1s1i s LYS 120 Ca 0.15 -0.85 -0.08 0.00 -1.56 0.00 0.00 55.97 53.63 1s1i s LYS 120 Cb 0.01 -0.53 0.10 0.00 -1.46 0.00 0.00 37.83 35.95 1s1i s LYS 120 CO 0.01 0.11 0.50 0.00 0.16 0.00 0.00 175.35 176.13 1s1i s ALA 121 N -1.35 -1.45 -0.23 3.13 0.00 -1.26 -1.62 121.76 118.98 1s1i s ALA 121 Ca -0.06 1.80 -0.04 0.00 0.00 0.00 0.00 51.96 53.65 1s1i s ALA 121 Cb -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1s1i s ALA 121 CO 0.01 -0.77 -0.02 1.52 0.00 0.00 0.00 175.76 176.50 1s1i s TYR 122 N 2.61 2.98 0.06 0.00 1.13 -1.26 -4.15 117.35 118.72 1s1i s TYR 122 Ca -0.04 -0.84 0.02 0.00 -1.41 0.00 0.00 57.07 54.80 1s1i s TYR 122 Cb -0.12 -2.13 -0.04 0.00 -1.10 0.00 0.00 41.96 38.57 1s1i s TYR 122 CO -0.15 -0.51 0.10 0.08 -2.51 0.00 0.00 175.55 172.56 1s1i s VAL 123 N 1.51 4.73 0.14 -3.49 1.01 -1.26 -1.39 120.40 121.65 1s1i s VAL 123 Ca 0.06 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1s1i s VAL 123 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1s1i s VAL 123 CO -0.02 0.17 -0.18 -0.60 0.00 0.00 0.00 175.10 174.47 1s1i s ARG 124 N -2.29 1.18 0.00 2.72 3.52 0.55 -2.71 118.95 121.92 1s1i s ARG 124 Ca 0.29 -1.31 0.00 0.00 -0.13 0.00 0.00 55.73 54.58 1s1i s ARG 124 Cb -0.12 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 1s1i s ARG 124 CO 0.22 0.26 0.00 1.28 -0.81 0.00 0.00 175.30 176.24 1s1i n LEU 125 N 0.53 0.00 -3.36 -0.88 4.77 -1.26 -1.79 117.00 115.01 1s1i n LEU 125 Ca -0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.56 1s1i n LEU 125 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1s1i n LEU 125 CO 0.27 -0.29 0.04 0.35 -1.33 0.00 0.00 177.39 176.43 1s1i n THR 126 N -1.15 2.05 -1.45 -5.08 -2.24 -0.20 -3.52 114.28 102.69 1s1i n THR 126 Ca 0.00 -5.11 -0.11 0.00 -2.27 0.00 0.00 64.05 56.56 1s1i n THR 126 Cb 0.00 -2.01 -0.04 0.00 -2.10 0.00 0.00 70.33 66.17 1s1i n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1i n ALA 127 N 0.82 -0.24 -0.19 6.98 0.00 -1.26 -4.42 120.51 122.20 1s1i n ALA 127 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1s1i n ALA 127 Cb 0.42 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1s1i n ALA 127 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1s1i n ASP 128 N -0.45 0.00 -4.15 0.00 5.75 -1.26 -5.08 116.55 111.35 1s1i n ASP 128 Ca -0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.46 1s1i n ASP 128 Cb 0.40 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.35 1s1i n ASP 128 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1s1i s TYR 129 N 0.00 1.29 0.71 2.11 6.14 -1.26 -5.09 117.35 121.24 1s1i s TYR 129 Ca 0.00 -0.36 -0.00 0.00 0.64 0.00 0.00 57.07 57.35 1s1i s TYR 129 Cb 0.00 -0.76 0.14 0.00 0.42 0.00 0.00 41.96 41.76 1s1i s TYR 129 CO 0.00 0.04 0.97 -3.47 0.64 0.00 0.00 175.55 173.73 1s1i n ASP 130 N 1.89 1.30 -4.66 4.32 2.03 -1.26 -4.71 116.55 115.46 1s1i n ASP 130 Ca -0.18 -2.10 -0.43 0.00 0.52 0.00 0.00 54.79 52.61 1s1i n ASP 130 Cb 0.55 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 1s1i n ASP 130 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s1i s ALA 131 N -3.17 3.63 0.03 -1.67 0.00 -1.26 -4.91 121.76 114.42 1s1i s ALA 131 Ca 0.64 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1s1i s ALA 131 Cb -0.04 -3.67 -0.17 0.00 0.00 0.00 0.00 23.12 19.24 1s1i s ALA 131 CO 0.42 -1.24 1.31 1.37 0.00 0.00 0.00 175.76 177.62 1s1i h LEU 132 N 9.78 -0.81 2.29 0.00 -0.00 -1.94 -3.45 115.31 121.18 1s1i h LEU 132 Ca -0.33 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.42 1s1i h LEU 132 Cb 1.14 0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 42.01 1s1i h LEU 132 CO 0.96 -0.47 -0.16 -0.90 -0.00 0.00 0.00 178.44 177.86 1s1i n ASP 133 N -5.44 -2.48 0.00 0.17 5.75 -1.26 -4.75 116.55 108.54 1s1i n ASP 133 Ca -0.13 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1s1i n ASP 133 Cb 0.39 -2.18 0.00 0.00 -1.03 0.00 0.00 41.12 38.30 1s1i n ASP 133 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s1i n ILE 134 N -2.95 0.00 0.08 2.12 3.06 -1.26 -5.31 119.36 115.09 1s1i n ILE 134 Ca -0.07 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.18 1s1i n ILE 134 Cb 0.56 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.77 1s1i n ILE 134 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05