#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgq n ALA 125 N 0.00 0.00 -1.49 3.04 0.00 -1.26 -3.86 120.51 116.94 1dgq n ALA 125 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1dgq n ALA 125 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1dgq n ALA 125 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dgq n SER 126 N 0.00 3.48 0.06 0.00 7.64 -1.26 -4.58 113.62 118.96 1dgq n SER 126 Ca 0.00 -2.77 0.11 0.00 1.01 0.00 0.00 58.87 57.23 1dgq n SER 126 Cb 0.00 -1.44 0.03 0.00 -1.01 0.00 0.00 64.21 61.78 1dgq n SER 126 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dgq n LYS 127 N 6.36 0.45 0.00 1.43 4.76 -1.14 -4.85 118.16 125.17 1dgq n LYS 127 Ca 0.52 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1dgq n LYS 127 Cb 0.39 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1dgq n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dgq n GLY 128 N 1.28 0.97 3.67 0.72 0.00 -0.65 -4.88 105.19 106.29 1dgq n GLY 128 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1dgq n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dgq s ASN 129 N 0.00 6.80 -0.03 1.61 2.47 -1.26 -4.21 114.94 120.31 1dgq s ASN 129 Ca 0.00 2.07 -0.01 0.00 0.42 0.00 0.00 52.86 55.34 1dgq s ASN 129 Cb 0.00 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.28 1dgq s ASN 129 CO 0.00 -0.81 0.04 -0.69 -3.72 0.00 0.00 177.10 171.91 1dgq s VAL 130 N 3.28 -0.02 -0.67 -5.21 1.01 0.68 -0.97 120.40 118.49 1dgq s VAL 130 Ca 0.66 0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 1dgq s VAL 130 Cb -0.30 -0.15 0.14 0.00 0.00 0.00 0.00 36.38 36.06 1dgq s VAL 130 CO 0.25 0.14 0.73 -1.81 0.00 0.00 0.00 175.10 174.40 1dgq s ASP 131 N 1.51 6.37 -0.46 3.32 1.01 0.38 -0.19 116.67 128.61 1dgq s ASP 131 Ca -0.03 -1.87 -0.19 0.00 0.71 0.00 0.00 52.55 51.17 1dgq s ASP 131 Cb -0.13 -2.27 0.04 0.00 1.01 0.00 0.00 42.92 41.57 1dgq s ASP 131 CO -0.03 -0.93 0.57 -0.22 0.21 0.00 0.00 175.17 174.77 1dgq s LEU 132 N 1.89 4.80 -0.27 1.23 0.20 0.25 -0.77 118.68 126.00 1dgq s LEU 132 Ca 0.14 -0.67 -0.17 0.00 0.69 0.00 0.00 54.13 54.12 1dgq s LEU 132 Cb -0.20 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.02 1dgq s LEU 132 CO 0.00 -0.76 0.47 -0.69 -0.29 0.00 0.00 176.35 175.08 1dgq s VAL 133 N 2.52 5.10 -0.59 1.68 1.01 0.28 -1.09 120.40 129.31 1dgq s VAL 133 Ca 0.16 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 1dgq s VAL 133 Cb -0.17 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1dgq s VAL 133 CO 0.15 0.08 0.90 -0.36 0.00 0.00 0.00 175.10 175.87 1dgq s PHE 134 N 2.24 2.78 -0.95 5.22 0.08 0.18 -0.30 117.98 127.22 1dgq s PHE 134 Ca 0.19 -0.34 -0.17 0.00 0.12 0.00 0.00 56.93 56.73 1dgq s PHE 134 Cb -0.16 -4.10 0.16 0.00 -0.57 0.00 0.00 43.02 38.36 1dgq s PHE 134 CO 0.10 -1.44 1.09 -1.17 -0.10 0.00 0.00 175.22 173.69 1dgq s LEU 135 N 3.80 5.50 -0.18 -0.37 2.96 0.36 -0.49 118.68 130.27 1dgq s LEU 135 Ca 0.24 -2.39 -0.07 0.00 -0.22 0.00 0.00 54.13 51.69 1dgq s LEU 135 Cb -0.16 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1dgq s LEU 135 CO 0.14 -0.87 0.06 0.72 -1.32 0.00 0.00 176.35 175.08 1dgq s PHE 136 N 1.78 3.26 0.12 5.38 -0.71 0.03 -0.72 117.98 127.13 1dgq s PHE 136 Ca 0.31 0.10 -0.30 0.00 -1.04 0.00 0.00 56.93 55.99 1dgq s PHE 136 Cb -0.06 -2.07 -0.07 0.00 -1.21 0.00 0.00 43.02 39.62 1dgq s PHE 136 CO -0.08 0.19 1.13 0.34 -1.34 0.00 0.00 175.22 175.45 1dgq s ASP 137 N 0.28 7.20 -0.41 1.98 -1.08 0.49 -0.71 116.67 124.42 1dgq s ASP 137 Ca 0.04 2.04 0.10 0.00 -0.52 0.00 0.00 52.55 54.21 1dgq s ASP 137 Cb -0.12 -2.59 0.42 0.00 -1.46 0.00 0.00 42.92 39.16 1dgq s ASP 137 CO 0.00 -0.31 0.99 0.61 0.52 0.00 0.00 175.17 176.97 1dgq n GLY 138 N 2.51 4.07 3.78 2.66 0.00 0.58 -4.88 105.19 113.92 1dgq n GLY 138 Ca 0.05 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 1dgq n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dgq s SER 139 N -3.25 4.39 0.56 1.61 1.04 -1.26 -0.50 113.70 116.30 1dgq s SER 139 Ca 0.40 1.50 0.29 0.00 0.48 0.00 0.00 55.95 58.61 1dgq s SER 139 Cb 0.40 -2.24 1.47 0.00 0.10 0.00 0.00 66.02 65.75 1dgq s SER 139 CO -0.09 -2.06 1.91 0.00 0.98 0.00 0.00 173.24 173.99 1dgq h MET 140 N -1.15 0.00 -0.99 4.02 -0.00 -1.17 0.70 114.93 116.34 1dgq h MET 140 Ca -0.46 0.00 0.17 0.00 -0.00 0.00 0.00 59.70 59.41 1dgq h MET 140 Cb 1.26 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.76 1dgq h MET 140 CO 0.56 0.00 0.62 0.77 -0.00 0.00 0.00 176.91 178.86 1dgq h SER 141 N 0.00 0.79 -2.96 -0.10 0.02 -1.92 -3.40 113.55 105.98 1dgq h SER 141 Ca 0.29 0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.75 1dgq h SER 141 Cb 1.32 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1dgq h SER 141 CO -0.00 0.32 0.91 -0.76 -1.14 0.00 0.00 176.83 176.16 1dgq s LEU 142 N -10.18 4.12 0.35 5.07 2.01 0.24 -5.03 118.68 115.26 1dgq s LEU 142 Ca -0.11 1.59 -0.09 0.00 0.01 0.00 0.00 54.13 55.53 1dgq s LEU 142 Cb 0.24 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 42.84 1dgq s LEU 142 CO 0.80 -0.82 0.69 -1.10 1.01 0.00 0.00 176.35 176.93 1dgq s GLN 143 N 3.62 3.75 0.18 1.70 -1.52 -1.26 -4.84 119.66 121.28 1dgq s GLN 143 Ca 0.55 0.33 -0.26 0.00 -1.95 0.00 0.00 55.36 54.02 1dgq s GLN 143 Cb -0.20 -2.49 0.04 0.00 -0.22 0.00 0.00 33.01 30.13 1dgq s GLN 143 CO 0.16 0.08 1.55 -1.35 -0.25 0.00 0.00 175.29 175.48 1dgq h PRO 144 N 1.54 -0.12 -0.65 2.91 0.11 -1.97 0.32 132.00 134.14 1dgq h PRO 144 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1dgq h PRO 144 Cb 1.19 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1dgq h PRO 144 CO 0.65 -0.08 0.43 0.22 -0.21 0.00 0.00 178.00 179.01 1dgq h ASP 145 N -0.12 0.64 0.00 -2.05 3.58 -1.99 0.17 116.42 116.65 1dgq h ASP 145 Ca 0.20 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1dgq h ASP 145 Cb 0.53 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1dgq h ASP 145 CO -0.83 0.43 -0.00 -0.33 -2.88 0.00 0.00 179.24 175.64 1dgq h GLU 146 N 0.74 -0.00 -0.63 0.28 5.08 -1.41 -2.93 114.58 115.71 1dgq h GLU 146 Ca 0.26 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1dgq h GLU 146 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1dgq h GLU 146 CO -0.08 0.40 0.36 0.35 -1.00 0.00 0.00 179.01 179.04 1dgq h PHE 147 N -0.41 0.66 -0.98 4.33 3.57 -0.26 -0.15 116.94 123.70 1dgq h PHE 147 Ca -0.00 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.69 1dgq h PHE 147 Cb 0.41 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.84 1dgq h PHE 147 CO 0.07 0.34 0.61 1.96 -2.23 0.00 0.00 178.31 179.06 1dgq h GLN 148 N 0.68 0.74 -0.15 1.11 1.08 -0.69 0.10 115.11 117.99 1dgq h GLN 148 Ca 0.27 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.27 1dgq h GLN 148 Cb 0.11 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1dgq h GLN 148 CO -0.15 0.49 -0.58 0.87 -0.95 0.00 0.00 178.83 178.52 1dgq h LYS 149 N 0.76 0.47 -0.26 1.46 1.57 -0.86 0.20 116.57 119.90 1dgq h LYS 149 Ca 0.54 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1dgq h LYS 149 Cb 0.83 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1dgq h LYS 149 CO -0.31 0.91 0.01 0.82 -0.57 0.00 0.00 179.45 180.31 1dgq h ILE 150 N 0.35 0.82 -0.08 1.86 1.08 -0.20 0.66 117.51 122.00 1dgq h ILE 150 Ca 0.00 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1dgq h ILE 150 Cb 1.11 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1dgq h ILE 150 CO 0.10 0.02 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.49 1dgq h LEU 151 N 0.09 -0.08 -0.54 1.44 3.38 -0.61 -2.72 115.31 116.27 1dgq h LEU 151 Ca 0.13 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1dgq h LEU 151 Cb 0.16 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1dgq h LEU 151 CO -0.21 -0.03 0.22 -0.78 0.09 0.00 0.00 178.44 177.74 1dgq h ASP 152 N -0.00 0.26 0.18 -0.43 3.58 -0.23 0.64 116.42 120.42 1dgq h ASP 152 Ca 0.04 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1dgq h ASP 152 Cb 0.06 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1dgq h ASP 152 CO -0.09 0.18 -0.37 0.15 -2.88 0.00 0.00 179.24 176.23 1dgq h PHE 153 N 0.42 -1.02 0.24 0.28 3.04 -0.71 0.31 116.94 119.50 1dgq h PHE 153 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1dgq h PHE 153 Cb 0.25 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1dgq h PHE 153 CO -0.14 -0.48 -0.26 0.52 -2.02 0.00 0.00 178.31 175.93 1dgq h MET 154 N -0.64 -0.52 -0.81 1.11 2.86 -1.13 -2.08 114.93 113.73 1dgq h MET 154 Ca 0.01 0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.88 1dgq h MET 154 Cb 0.64 0.12 -0.12 0.00 0.06 0.00 0.00 31.60 32.30 1dgq h MET 154 CO -0.18 -0.34 0.24 -0.22 1.06 0.00 0.00 176.91 177.46 1dgq h LYS 155 N -0.54 0.29 -0.00 1.72 3.64 -0.70 -0.56 116.57 120.42 1dgq h LYS 155 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1dgq h LYS 155 Cb 0.50 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1dgq h LYS 155 CO -0.07 0.19 0.00 0.22 -2.27 0.00 0.00 179.45 177.52 1dgq h ASP 156 N 0.30 0.00 -0.23 4.20 3.58 0.29 0.17 116.42 124.72 1dgq h ASP 156 Ca 0.48 -0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.91 1dgq h ASP 156 Cb 0.86 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 1dgq h ASP 156 CO -0.54 0.06 -0.06 0.58 -2.88 0.00 0.00 179.24 176.40 1dgq h VAL 157 N -0.06 0.76 -0.52 2.25 2.07 -0.81 -1.45 116.25 118.50 1dgq h VAL 157 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1dgq h VAL 157 Cb 0.06 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1dgq h VAL 157 CO -0.00 0.00 0.29 0.24 0.02 0.00 0.00 177.57 178.12 1dgq h MET 158 N -0.01 0.55 0.35 1.57 2.86 -0.53 0.09 114.93 119.82 1dgq h MET 158 Ca 0.11 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1dgq h MET 158 Cb 0.18 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1dgq h MET 158 CO -0.24 0.36 -0.43 0.87 1.06 0.00 0.00 176.91 178.53 1dgq h LYS 159 N 0.56 -0.79 -0.63 1.72 1.79 -0.36 0.53 116.57 119.38 1dgq h LYS 159 Ca 0.22 0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.87 1dgq h LYS 159 Cb 0.08 0.18 -0.09 0.00 -1.58 0.00 0.00 32.23 30.82 1dgq h LYS 159 CO -0.13 -0.53 0.13 0.87 -1.08 0.00 0.00 179.45 178.72 1dgq h LYS 160 N -0.82 0.24 -0.84 3.15 6.56 -0.83 -2.59 116.57 121.45 1dgq h LYS 160 Ca -0.03 -0.01 -0.57 0.00 -1.06 0.00 0.00 60.65 58.98 1dgq h LYS 160 Cb 0.75 -0.06 -0.32 0.00 -0.57 0.00 0.00 32.23 32.04 1dgq h LYS 160 CO -0.11 0.16 0.14 1.28 -2.06 0.00 0.00 179.45 178.87 1dgq n LEU 161 N -5.15 6.25 -4.57 2.94 4.77 -0.02 -4.93 117.00 116.28 1dgq n LEU 161 Ca 0.10 -4.36 -0.23 0.00 -0.03 0.00 0.00 56.01 51.49 1dgq n LEU 161 Cb 0.36 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1dgq n LEU 161 CO 0.15 1.66 1.35 -0.44 -1.33 0.00 0.00 177.39 178.78 1dgq s SER 162 N -2.52 4.57 -0.06 -1.43 0.01 0.15 -4.65 113.70 109.78 1dgq s SER 162 Ca 0.57 -1.15 -0.29 0.00 1.31 0.00 0.00 55.95 56.38 1dgq s SER 162 Cb 0.46 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 64.17 1dgq s SER 162 CO 0.02 -3.49 0.65 0.21 0.41 0.00 0.00 173.24 171.04 1dgq s ASN 163 N 7.67 -0.63 -0.27 2.44 3.84 -1.26 -5.06 114.94 121.68 1dgq s ASN 163 Ca 0.74 0.70 -0.05 0.00 0.21 0.00 0.00 52.86 54.46 1dgq s ASN 163 Cb -0.04 0.57 -0.17 0.00 -0.55 0.00 0.00 41.25 41.06 1dgq s ASN 163 CO 0.11 -0.58 2.70 0.41 -2.79 0.00 0.00 177.10 176.95 1dgq n THR 164 N 1.03 2.40 0.03 -5.21 -1.04 -1.26 -3.03 114.28 107.20 1dgq n THR 164 Ca -0.19 -1.27 0.00 0.00 -2.04 0.00 0.00 64.05 60.55 1dgq n THR 164 Cb 0.57 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1dgq n THR 164 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1dgq n SER 165 N 2.94 -0.24 -4.51 8.00 7.64 -1.26 -4.96 113.62 121.22 1dgq n SER 165 Ca 0.37 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 1dgq n SER 165 Cb 0.55 0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 64.11 1dgq n SER 165 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1dgq s TYR 166 N -2.00 2.55 0.20 1.43 2.02 -1.17 -0.23 117.35 120.16 1dgq s TYR 166 Ca 0.00 -0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 1dgq s TYR 166 Cb 0.00 -4.51 -0.08 0.00 -0.40 0.00 0.00 41.96 36.97 1dgq s TYR 166 CO 0.00 -1.85 0.94 -0.65 -1.57 0.00 0.00 175.55 172.42 1dgq s GLN 167 N 4.71 4.81 0.17 -0.62 1.11 0.74 -4.50 119.66 126.07 1dgq s GLN 167 Ca 0.34 1.47 0.10 0.00 0.01 0.00 0.00 55.36 57.27 1dgq s GLN 167 Cb -0.08 -3.31 -0.04 0.00 -1.01 0.00 0.00 33.01 28.57 1dgq s GLN 167 CO 0.05 0.44 -0.18 -0.06 0.01 0.00 0.00 175.29 175.55 1dgq s PHE 168 N -0.86 2.47 0.05 0.91 0.40 -1.26 -0.58 117.98 119.10 1dgq s PHE 168 Ca 0.42 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1dgq s PHE 168 Cb -0.25 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 1dgq s PHE 168 CO 0.31 0.47 -0.04 0.00 0.70 0.00 0.00 175.22 176.66 1dgq s ALA 169 N -1.51 0.48 -0.02 5.36 0.00 -0.25 -3.35 121.76 122.47 1dgq s ALA 169 Ca 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1dgq s ALA 169 Cb -0.09 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1dgq s ALA 169 CO 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 175.76 175.59 1dgq s ALA 170 N -3.20 0.15 -0.24 0.00 0.00 0.02 -0.65 121.76 117.84 1dgq s ALA 170 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1dgq s ALA 170 Cb 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1dgq s ALA 170 CO -0.07 -0.06 -0.09 0.08 0.00 0.00 0.00 175.76 175.63 1dgq s VAL 171 N 0.71 2.67 0.24 0.00 1.01 0.36 -0.17 120.40 125.23 1dgq s VAL 171 Ca -0.06 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 1dgq s VAL 171 Cb -0.09 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1dgq s VAL 171 CO -0.02 0.21 1.05 -1.58 0.00 0.00 0.00 175.10 174.76 1dgq s GLN 172 N 1.29 4.70 0.06 2.72 0.74 0.15 -0.79 119.66 128.52 1dgq s GLN 172 Ca -0.00 1.68 0.03 0.00 0.05 0.00 0.00 55.36 57.12 1dgq s GLN 172 Cb -0.17 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 1dgq s GLN 172 CO -0.06 0.28 -0.10 -0.59 -0.55 0.00 0.00 175.29 174.27 1dgq s PHE 173 N -0.96 0.92 0.00 1.67 -0.71 0.11 -0.40 117.98 118.62 1dgq s PHE 173 Ca 0.44 -0.52 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 1dgq s PHE 173 Cb -0.29 -0.53 0.00 0.00 -1.21 0.00 0.00 43.02 40.99 1dgq s PHE 173 CO 0.37 -0.03 0.00 0.45 -1.34 0.00 0.00 175.22 174.67 1dgq n SER 174 N 1.22 0.00 -0.29 1.98 2.88 -1.26 -0.30 113.62 117.84 1dgq n SER 174 Ca -0.21 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.36 1dgq n SER 174 Cb 0.55 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.17 1dgq n SER 174 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1dgq h THR 175 N 0.00 0.93 -2.81 2.46 2.02 -1.81 0.14 112.91 113.84 1dgq h THR 175 Ca 0.00 -0.28 -0.59 0.00 0.77 0.00 0.00 66.41 66.31 1dgq h THR 175 Cb 0.00 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.38 1dgq h THR 175 CO 0.00 0.15 -0.57 -0.44 0.37 0.00 0.00 175.52 175.02 1dgq s SER 176 N -5.63 5.51 0.01 4.18 0.01 -1.26 -4.52 113.70 112.00 1dgq s SER 176 Ca -0.12 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1dgq s SER 176 Cb 0.19 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.93 1dgq s SER 176 CO 0.78 0.09 0.24 -0.72 0.41 0.00 0.00 173.24 174.05 1dgq s TYR 177 N -1.67 3.56 -0.24 2.43 -0.85 -1.26 -4.41 117.35 114.91 1dgq s TYR 177 Ca 0.30 0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 57.32 1dgq s TYR 177 Cb -0.10 -1.93 0.12 0.00 0.38 0.00 0.00 41.96 40.42 1dgq s TYR 177 CO 0.23 0.61 0.31 0.21 -1.52 0.00 0.00 175.55 175.39 1dgq s LYS 178 N -1.88 0.29 -0.20 -3.49 2.20 0.47 -4.99 119.74 112.14 1dgq s LYS 178 Ca 0.28 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1dgq s LYS 178 Cb -0.13 -0.76 -0.07 0.00 -1.51 0.00 0.00 37.83 35.36 1dgq s LYS 178 CO 0.18 -0.73 2.18 2.41 -0.36 0.00 0.00 175.35 179.02 1dgq n THR 179 N 5.34 0.38 -0.03 3.43 -1.04 -1.26 -0.68 114.28 120.42 1dgq n THR 179 Ca -0.04 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 61.45 1dgq n THR 179 Cb 0.49 -2.38 -0.10 0.00 -1.82 0.00 0.00 70.33 66.52 1dgq n THR 179 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1dgq h GLU 180 N 13.93 0.21 -2.77 -2.82 4.39 -0.91 -3.47 114.58 123.15 1dgq h GLU 180 Ca -0.41 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.09 1dgq h GLU 180 Cb 1.25 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 1dgq h GLU 180 CO 0.97 0.82 0.17 -0.59 -1.16 0.00 0.00 179.01 179.21 1dgq s PHE 181 N -3.63 -0.54 0.52 4.33 -0.12 -1.02 -4.82 117.98 112.71 1dgq s PHE 181 Ca -0.15 0.51 0.02 0.00 -0.05 0.00 0.00 56.93 57.26 1dgq s PHE 181 Cb 0.02 0.49 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1dgq s PHE 181 CO 0.74 -0.77 0.19 -0.40 -0.05 0.00 0.00 175.22 174.94 1dgq n ASP 182 N 0.01 3.08 -0.02 1.98 5.68 -1.26 -0.80 116.55 125.21 1dgq n ASP 182 Ca -0.18 -3.05 -0.10 0.00 -0.50 0.00 0.00 54.79 50.97 1dgq n ASP 182 Cb 0.63 0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.73 1dgq n ASP 182 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1dgq h PHE 183 N 0.97 0.12 -0.63 2.11 0.04 -1.37 -0.54 116.94 117.65 1dgq h PHE 183 Ca -0.38 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.48 1dgq h PHE 183 Cb 1.26 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 39.31 1dgq h PHE 183 CO 0.00 0.07 0.27 0.77 -0.60 0.00 0.00 178.31 178.82 1dgq h SER 184 N 0.15 0.33 0.12 2.17 0.02 -1.04 0.21 113.55 115.50 1dgq h SER 184 Ca 0.07 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1dgq h SER 184 Cb 0.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1dgq h SER 184 CO -0.06 0.20 -0.19 0.44 -1.14 0.00 0.00 176.83 176.08 1dgq h ASP 185 N 0.49 -0.54 -0.32 3.07 3.32 -1.69 0.13 116.42 120.88 1dgq h ASP 185 Ca 0.31 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.47 1dgq h ASP 185 Cb 0.34 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.04 1dgq h ASP 185 CO -0.27 -0.28 0.01 0.22 -1.72 0.00 0.00 179.24 177.20 1dgq h TYR 186 N -0.38 -0.01 -0.58 4.55 3.20 -0.41 0.46 116.97 123.81 1dgq h TYR 186 Ca 0.02 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1dgq h TYR 186 Cb 0.39 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1dgq h TYR 186 CO -0.18 -0.05 0.26 0.28 -1.64 0.00 0.00 178.16 176.83 1dgq h VAL 187 N 0.10 0.86 0.54 1.81 2.07 -0.28 0.30 116.25 121.66 1dgq h VAL 187 Ca 0.15 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1dgq h VAL 187 Cb 0.20 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1dgq h VAL 187 CO -0.25 0.09 -0.26 0.50 0.02 0.00 0.00 177.57 177.67 1dgq h LYS 188 N 0.48 -0.70 0.13 1.57 3.64 -0.14 -3.38 116.57 118.17 1dgq h LYS 188 Ca 0.28 0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 59.35 1dgq h LYS 188 Cb 0.27 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1dgq h LYS 188 CO -0.24 -0.39 -1.86 -1.49 -2.27 0.00 0.00 179.45 173.21 1dgq h TRP 189 N -0.99 0.51 -2.09 1.91 4.06 -0.82 -3.48 115.95 115.04 1dgq h TRP 189 Ca -0.07 -0.37 -0.24 0.00 2.06 0.00 0.00 58.89 60.27 1dgq h TRP 189 Cb 0.63 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.70 1dgq h TRP 189 CO 0.00 1.65 -0.24 1.63 -3.56 0.00 0.00 178.44 177.92 1dgq n LYS 190 N -3.47 -1.52 -3.97 0.49 4.76 0.11 -4.93 118.16 109.62 1dgq n LYS 190 Ca -0.27 0.66 -0.31 0.00 -2.87 0.00 0.00 58.31 55.52 1dgq n LYS 190 Cb 1.06 -4.98 -0.15 0.00 -1.84 0.00 0.00 35.03 29.12 1dgq n LYS 190 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1dgq s ASP 191 N -2.00 4.56 0.21 4.39 -1.08 -1.26 -5.01 116.67 116.48 1dgq s ASP 191 Ca 0.00 -1.94 -0.11 0.00 -0.52 0.00 0.00 52.55 49.98 1dgq s ASP 191 Cb 0.00 -1.46 0.29 0.00 -1.46 0.00 0.00 42.92 40.28 1dgq s ASP 191 CO 0.00 -0.36 1.67 -0.65 0.52 0.00 0.00 175.17 176.35 1dgq h PRO 192 N 7.73 0.13 -0.45 4.34 0.11 -1.93 0.00 132.00 141.93 1dgq h PRO 192 Ca -0.08 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1dgq h PRO 192 Cb 1.02 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1dgq h PRO 192 CO 0.50 0.09 0.26 -0.44 -0.21 0.00 0.00 178.00 178.20 1dgq h ASP 193 N 0.14 0.41 0.26 -2.05 5.19 -1.96 0.16 116.42 118.57 1dgq h ASP 193 Ca 0.31 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 1dgq h ASP 193 Cb 0.50 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 1dgq h ASP 193 CO -0.50 0.29 -0.14 0.00 -3.12 0.00 0.00 179.24 175.77 1dgq h ALA 194 N 1.21 -0.37 -0.50 3.45 0.00 -1.80 -2.43 119.26 118.81 1dgq h ALA 194 Ca 0.18 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1dgq h ALA 194 Cb 0.03 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dgq h ALA 194 CO -0.09 -0.71 0.34 -0.07 0.00 0.00 0.00 179.25 178.71 1dgq h LEU 195 N -0.38 0.31 -0.49 0.00 3.38 -0.24 -1.06 115.31 116.84 1dgq h LEU 195 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dgq h LEU 195 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1dgq h LEU 195 CO 0.05 0.20 -0.19 0.18 0.09 0.00 0.00 178.44 178.76 1dgq n LEU 196 N -4.47 0.95 -0.04 1.67 4.77 0.50 -4.12 117.00 116.26 1dgq n LEU 196 Ca 0.07 -0.23 0.20 0.00 -0.03 0.00 0.00 56.01 56.02 1dgq n LEU 196 Cb 0.32 -0.12 0.66 0.00 -2.33 0.00 0.00 43.42 41.95 1dgq n LEU 196 CO 0.34 0.17 1.19 0.11 -1.33 0.00 0.00 177.39 177.88 1dgq h LYS 197 N 1.18 0.07 0.00 3.23 1.57 -0.70 -0.62 116.57 121.30 1dgq h LYS 197 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dgq h LYS 197 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1dgq h LYS 197 CO 0.00 0.04 0.00 1.58 -0.57 0.00 0.00 179.45 180.50 1dgq n HIS 198 N -4.39 0.68 -2.12 -1.35 -0.00 -1.26 -4.67 115.22 102.10 1dgq n HIS 198 Ca 0.11 0.29 -0.29 0.00 0.46 0.00 0.00 57.72 58.29 1dgq n HIS 198 Cb 0.61 -0.97 -0.05 0.00 -0.12 0.00 0.00 29.99 29.46 1dgq n HIS 198 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1dgq s VAL 199 N -3.34 3.55 -0.40 3.57 1.01 -0.24 -4.90 120.40 119.65 1dgq s VAL 199 Ca 0.02 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1dgq s VAL 199 Cb 0.08 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1dgq s VAL 199 CO 0.30 -1.10 0.54 -0.54 0.00 0.00 0.00 175.10 174.31 1dgq s LYS 200 N 6.53 3.38 -0.02 2.72 1.02 -1.26 -5.03 119.74 127.08 1dgq s LYS 200 Ca 0.67 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 1dgq s LYS 200 Cb -0.04 -3.89 -0.06 0.00 -0.52 0.00 0.00 37.83 33.32 1dgq s LYS 200 CO 0.03 -0.82 1.65 -1.58 -0.92 0.00 0.00 175.35 173.71 1dgq s HIS 201 N 2.48 2.11 -0.02 3.18 2.46 -1.26 -4.94 115.29 119.30 1dgq s HIS 201 Ca 0.19 0.24 -0.25 0.00 0.47 0.00 0.00 55.06 55.71 1dgq s HIS 201 Cb -0.15 -3.92 -0.19 0.00 -0.13 0.00 0.00 32.58 28.19 1dgq s HIS 201 CO 0.15 -3.82 1.19 0.52 -2.47 0.00 0.00 174.74 170.32 1dgq h MET 202 N 9.19 -0.10 -5.07 2.88 2.86 -1.95 -3.49 114.93 119.25 1dgq h MET 202 Ca -0.40 0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 56.99 1dgq h MET 202 Cb 1.19 0.02 0.15 0.00 0.06 0.00 0.00 31.60 33.02 1dgq h MET 202 CO 0.94 0.36 -0.68 1.28 1.06 0.00 0.00 176.91 179.87 1dgq n LEU 203 N -4.91 -4.27 0.00 1.22 4.77 0.35 -4.92 117.00 109.24 1dgq n LEU 203 Ca -0.08 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1dgq n LEU 203 Cb 0.26 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 1dgq n LEU 203 CO 0.32 0.22 0.00 0.18 -1.33 0.00 0.00 177.39 176.78 1dgq n LEU 204 N -3.36 0.00 0.00 2.23 4.77 -1.25 -3.91 117.00 115.48 1dgq n LEU 204 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1dgq n LEU 204 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1dgq n LEU 204 CO 0.51 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.75 1dgq n LEU 205 N 0.00 0.00 -3.26 2.23 4.77 -1.26 -0.98 117.00 118.50 1dgq n LEU 205 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1dgq n LEU 205 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1dgq n LEU 205 CO 0.00 0.00 -0.24 0.41 -1.33 0.00 0.00 177.39 176.23 1dgq n THR 206 N 0.00 -0.96 -1.68 -5.08 -1.04 -1.25 -2.88 114.28 101.39 1dgq n THR 206 Ca 0.00 -3.03 -0.40 0.00 -2.04 0.00 0.00 64.05 58.58 1dgq n THR 206 Cb 0.00 -1.18 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 1dgq n THR 206 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1dgq n ASN 207 N 2.73 7.68 -0.08 8.00 5.15 0.49 -0.34 115.26 138.90 1dgq n ASN 207 Ca 0.27 -2.84 -0.10 0.00 -0.60 0.00 0.00 54.58 51.31 1dgq n ASN 207 Cb 0.50 -1.50 -0.03 0.00 -0.53 0.00 0.00 39.78 38.23 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1dgq h THR 208 N 3.04 1.12 -0.18 -0.44 2.02 -1.90 0.17 112.91 116.73 1dgq h THR 208 Ca 0.74 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.54 1dgq h THR 208 Cb 0.36 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1dgq h THR 208 CO 1.68 0.12 -0.10 -0.26 0.37 0.00 0.00 175.52 177.33 1dgq h PHE 209 N 0.31 0.45 -0.89 3.16 -1.00 -1.86 0.23 116.94 117.35 1dgq h PHE 209 Ca 0.09 -0.12 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1dgq h PHE 209 Cb 0.07 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.47 1dgq h PHE 209 CO -0.03 0.70 0.56 0.78 -1.61 0.00 0.00 178.31 178.72 1dgq h GLY 210 N 0.08 1.32 1.26 -1.45 0.00 -1.79 0.19 103.07 102.67 1dgq h GLY 210 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1dgq h GLY 210 CO 0.03 0.32 -0.24 0.00 0.00 0.00 0.00 176.54 176.65 1dgq h ALA 211 N 1.39 0.80 -0.38 3.60 0.00 -0.53 0.10 119.26 124.25 1dgq h ALA 211 Ca 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dgq h ALA 211 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1dgq h ALA 211 CO -0.15 0.65 0.25 0.82 0.00 0.00 0.00 179.25 180.82 1dgq h ILE 212 N 0.73 1.10 -0.25 0.00 2.04 0.10 0.53 117.51 121.76 1dgq h ILE 212 Ca 0.10 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1dgq h ILE 212 Cb 0.77 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1dgq h ILE 212 CO 0.06 0.10 0.14 0.78 0.00 0.00 0.00 178.15 179.23 1dgq h ASN 213 N 0.51 0.22 -0.23 1.72 2.35 -0.60 0.82 115.58 120.36 1dgq h ASN 213 Ca 0.14 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 1dgq h ASN 213 Cb -0.05 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.21 1dgq h ASN 213 CO -0.03 0.16 -0.27 0.22 -1.65 0.00 0.00 177.43 175.86 1dgq h TYR 214 N 0.29 -0.74 0.04 1.19 3.20 -0.46 -0.55 116.97 119.94 1dgq h TYR 214 Ca 0.10 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1dgq h TYR 214 Cb 0.01 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1dgq h TYR 214 CO -0.08 -0.35 -0.36 0.28 -1.64 0.00 0.00 178.16 176.01 1dgq h VAL 215 N -0.29 0.24 -0.58 1.81 2.07 -0.67 0.28 116.25 119.11 1dgq h VAL 215 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.77 1dgq h VAL 215 Cb 0.49 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1dgq h VAL 215 CO -0.40 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.20 1dgq h ALA 216 N 0.08 0.57 0.04 1.67 0.00 -0.12 -0.39 119.26 121.10 1dgq h ALA 216 Ca 0.05 0.18 -0.37 0.00 0.00 0.00 0.00 54.91 54.76 1dgq h ALA 216 Cb 0.61 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1dgq h ALA 216 CO -0.26 -0.39 -2.12 0.25 0.00 0.00 0.00 179.25 176.73 1dgq n THR 217 N -5.26 1.59 -0.09 0.00 -2.24 -0.28 -4.31 114.28 103.68 1dgq n THR 217 Ca 0.08 -0.45 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 1dgq n THR 217 Cb 0.33 -1.73 -0.12 0.00 -2.10 0.00 0.00 70.33 66.71 1dgq n THR 217 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dgq n GLU 218 N -3.76 0.64 0.01 -0.78 -0.58 0.96 -4.62 120.64 112.51 1dgq n GLU 218 Ca -0.41 0.34 -0.19 0.00 -0.42 0.00 0.00 57.16 56.48 1dgq n GLU 218 Cb 0.93 -1.63 -0.14 0.00 -0.57 0.00 0.00 31.44 30.03 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq h VAL 219 N -0.55 1.51 -0.05 2.62 2.07 -1.15 -3.37 116.25 117.33 1dgq h VAL 219 Ca -0.51 -2.46 -0.64 0.00 0.82 0.00 0.00 66.70 63.92 1dgq h VAL 219 Cb 1.68 3.16 0.03 0.00 -1.52 0.00 0.00 31.29 34.63 1dgq h VAL 219 CO -0.17 0.67 2.34 0.49 0.02 0.00 0.00 177.57 180.91 1dgq n PHE 220 N -4.24 2.23 -4.32 1.57 3.72 -0.21 -4.72 117.46 111.49 1dgq n PHE 220 Ca -0.15 -1.98 -0.18 0.00 -0.05 0.00 0.00 57.45 55.09 1dgq n PHE 220 Cb 0.74 -1.92 -0.14 0.00 -0.94 0.00 0.00 39.48 37.22 1dgq n PHE 220 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1dgq s ARG 221 N 4.82 0.75 0.20 -1.08 0.52 -1.26 -4.83 118.95 118.07 1dgq s ARG 221 Ca 0.57 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 55.17 1dgq s ARG 221 Cb 0.13 -0.71 0.18 0.00 0.52 0.00 0.00 34.95 35.07 1dgq s ARG 221 CO 0.09 0.18 1.81 0.93 0.02 0.00 0.00 175.30 178.33 1dgq h GLU 222 N 5.46 0.64 -0.71 3.54 3.07 -1.89 -0.22 114.58 124.47 1dgq h GLU 222 Ca -0.33 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 58.53 1dgq h GLU 222 Cb 1.18 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1dgq h GLU 222 CO 0.47 0.42 0.47 1.05 -1.40 0.00 0.00 179.01 180.02 1dgq h GLU 223 N 0.66 0.79 -0.07 2.33 9.09 -1.96 0.26 114.58 125.68 1dgq h GLU 223 Ca 0.26 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.62 1dgq h GLU 223 Cb 0.11 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1dgq h GLU 223 CO -0.14 0.52 0.00 1.28 0.05 0.00 0.00 179.01 180.72 1dgq n LEU 224 N -4.47 0.45 0.00 3.06 4.77 -0.57 -4.78 117.00 115.46 1dgq n LEU 224 Ca 0.10 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1dgq n LEU 224 Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1dgq n LEU 224 CO 0.34 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1dgq n GLY 225 N 0.75 0.81 3.56 -0.72 0.00 0.90 -0.49 105.19 110.00 1dgq n GLY 225 Ca 0.08 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1dgq n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgq s ALA 226 N -2.00 2.21 -0.06 4.61 0.00 -0.20 -4.61 121.76 121.71 1dgq s ALA 226 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1dgq s ALA 226 Cb 0.00 -4.52 -0.07 0.00 0.00 0.00 0.00 23.12 18.53 1dgq s ALA 226 CO 0.00 -4.17 1.95 1.03 0.00 0.00 0.00 175.76 174.58 1dgq s ARG 227 N 6.02 3.87 0.41 0.00 0.52 -1.26 -3.99 118.95 124.52 1dgq s ARG 227 Ca 0.57 2.32 0.08 0.00 -0.52 0.00 0.00 55.73 58.19 1dgq s ARG 227 Cb -0.04 -4.18 0.87 0.00 0.52 0.00 0.00 34.95 32.13 1dgq s ARG 227 CO -0.04 -1.25 2.03 -1.00 0.02 0.00 0.00 175.30 175.06 1dgq h PRO 228 N 11.54 0.43 0.00 3.54 0.13 -1.98 -0.29 132.00 145.36 1dgq h PRO 228 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dgq h PRO 228 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1dgq h PRO 228 CO 0.95 0.34 0.00 0.38 -0.23 0.00 0.00 178.00 179.44 1dgq h ASP 229 N 0.43 0.00 -4.07 1.44 2.03 -1.97 -3.46 116.42 110.83 1dgq h ASP 229 Ca 0.11 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.88 1dgq h ASP 229 Cb 0.05 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 38.66 1dgq h ASP 229 CO -0.02 0.00 0.50 0.00 -1.03 0.00 0.00 179.24 178.70 1dgq s ALA 230 N -3.45 2.67 0.08 4.15 0.00 -0.12 -4.77 121.76 120.32 1dgq s ALA 230 Ca 0.04 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.76 1dgq s ALA 230 Cb 0.08 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1dgq s ALA 230 CO 0.55 -1.13 1.91 2.41 0.00 0.00 0.00 175.76 179.51 1dgq n THR 231 N -1.29 0.58 -2.65 0.00 -1.04 -0.14 -4.63 114.28 105.11 1dgq n THR 231 Ca 0.12 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 1dgq n THR 231 Cb 0.48 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 1dgq n THR 231 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1dgq n LYS 232 N 6.63 3.24 -3.64 -2.82 4.76 -1.26 -0.47 118.16 124.60 1dgq n LYS 232 Ca 0.19 -3.41 -0.36 0.00 -2.87 0.00 0.00 58.31 51.86 1dgq n LYS 232 Cb 0.39 -3.36 -0.07 0.00 -1.84 0.00 0.00 35.03 30.14 1dgq n LYS 232 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dgq s VAL 233 N 3.44 5.36 -0.34 -0.18 1.01 0.05 -0.60 120.40 129.14 1dgq s VAL 233 Ca 0.51 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1dgq s VAL 233 Cb 0.03 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1dgq s VAL 233 CO 0.05 0.42 0.08 -0.22 0.00 0.00 0.00 175.10 175.44 1dgq s LEU 234 N 0.35 3.69 -0.56 3.92 2.96 0.45 -0.55 118.68 128.95 1dgq s LEU 234 Ca 0.13 -2.01 -0.19 0.00 -0.22 0.00 0.00 54.13 51.84 1dgq s LEU 234 Cb -0.12 -1.31 0.08 0.00 0.50 0.00 0.00 46.19 45.34 1dgq s LEU 234 CO 0.01 -0.38 0.69 -0.63 -1.32 0.00 0.00 176.35 174.71 1dgq s ILE 235 N 1.12 4.81 0.10 6.68 1.01 0.58 -0.65 121.20 134.85 1dgq s ILE 235 Ca 0.11 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1dgq s ILE 235 Cb -0.19 -4.42 -0.06 0.00 0.01 0.00 0.00 42.46 37.80 1dgq s ILE 235 CO -0.14 -1.01 1.05 -0.63 0.00 0.00 0.00 174.94 174.21 1dgq s ILE 236 N 2.75 4.30 -0.22 2.92 1.09 0.70 -0.48 121.20 132.25 1dgq s ILE 236 Ca 0.14 1.83 0.02 0.00 -1.10 0.00 0.00 60.65 61.53 1dgq s ILE 236 Cb -0.22 -4.17 0.04 0.00 -1.06 0.00 0.00 42.46 37.06 1dgq s ILE 236 CO 0.09 0.24 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.40 1dgq s ILE 237 N 0.30 1.97 -0.02 2.92 1.01 0.10 -0.69 121.20 126.80 1dgq s ILE 237 Ca 0.51 -1.23 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 1dgq s ILE 237 Cb -0.26 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1dgq s ILE 237 CO 0.31 0.21 0.27 0.28 0.00 0.00 0.00 174.94 176.00 1dgq s THR 238 N 1.25 0.06 -0.62 2.92 -1.32 -0.28 -0.38 115.64 117.27 1dgq s THR 238 Ca -0.02 -0.47 0.22 0.00 -1.21 0.00 0.00 61.69 60.21 1dgq s THR 238 Cb -0.17 -0.54 -0.18 0.00 -1.51 0.00 0.00 72.50 70.10 1dgq s THR 238 CO -0.08 -0.26 0.91 -0.90 -2.21 0.00 0.00 174.62 172.08 1dgq n ASP 239 N 1.53 0.60 -4.21 8.08 5.75 -1.26 -0.69 116.55 126.35 1dgq n ASP 239 Ca -0.21 -0.38 -0.17 0.00 -0.01 0.00 0.00 54.79 54.03 1dgq n ASP 239 Cb 0.56 1.05 -0.11 0.00 -1.03 0.00 0.00 41.12 41.59 1dgq n ASP 239 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1dgq s GLY 240 N -3.62 0.98 0.94 6.12 0.00 -1.26 -2.47 107.32 108.00 1dgq s GLY 240 Ca 0.03 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 1dgq s GLY 240 CO 0.84 -1.29 1.12 -0.54 0.00 0.00 0.00 173.10 173.22 1dgq s GLU 241 N -2.63 0.83 -0.60 2.90 8.01 -1.26 -4.90 118.70 121.04 1dgq s GLU 241 Ca 0.07 1.34 -0.26 0.00 0.01 0.00 0.00 54.97 56.12 1dgq s GLU 241 Cb -0.05 -1.72 -0.03 0.00 -4.31 0.00 0.00 34.13 28.02 1dgq s GLU 241 CO 0.02 -2.69 1.94 0.00 0.01 0.00 0.00 175.26 174.54 1dgq s ALA 242 N -2.66 2.08 0.18 5.21 0.00 -1.26 -4.72 121.76 120.58 1dgq s ALA 242 Ca 0.66 -0.58 0.35 0.00 0.00 0.00 0.00 51.96 52.39 1dgq s ALA 242 Cb -0.22 -4.32 1.65 0.00 0.00 0.00 0.00 23.12 20.23 1dgq s ALA 242 CO 0.59 -4.00 2.04 1.79 0.00 0.00 0.00 175.76 176.18 1dgq h THR 243 N 7.00 0.00 0.01 0.00 1.35 -1.03 -3.21 112.91 117.03 1dgq h THR 243 Ca -0.25 -0.25 -0.40 0.00 -0.55 0.00 0.00 66.41 64.95 1dgq h THR 243 Cb 1.17 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 68.70 1dgq h THR 243 CO 1.21 0.00 -2.28 -0.90 -0.25 0.00 0.00 175.52 173.30 1dgq n ASP 244 N -2.88 1.96 -3.94 5.36 5.75 -1.25 -5.00 116.55 116.54 1dgq n ASP 244 Ca -0.01 0.23 -0.30 0.00 -0.01 0.00 0.00 54.79 54.71 1dgq n ASP 244 Cb 0.19 -0.75 -0.01 0.00 -1.03 0.00 0.00 41.12 39.52 1dgq n ASP 244 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1dgq n SER 245 N -3.99 -1.75 0.00 -1.12 7.64 -1.22 -4.98 113.62 108.20 1dgq n SER 245 Ca -0.47 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.34 1dgq n SER 245 Cb 0.89 -2.81 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 1dgq n SER 245 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dgq n GLY 246 N -1.99 1.69 3.31 0.23 0.00 -1.26 -5.08 105.19 102.09 1dgq n GLY 246 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1dgq n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgq s ASN 247 N -1.00 0.09 0.00 1.61 2.20 -1.26 -5.07 114.94 111.51 1dgq s ASN 247 Ca 0.00 -1.00 0.09 0.00 -0.94 0.00 0.00 52.86 51.01 1dgq s ASN 247 Cb 0.00 0.42 0.14 0.00 -2.00 0.00 0.00 41.25 39.81 1dgq s ASN 247 CO 0.00 -0.88 1.03 2.30 -2.94 0.00 0.00 177.10 176.61 1dgq n ILE 248 N -0.21 0.00 -0.36 0.54 -5.35 -1.26 -4.62 119.36 108.10 1dgq n ILE 248 Ca -0.05 -0.33 0.02 0.00 -0.27 0.00 0.00 62.75 62.12 1dgq n ILE 248 Cb 0.63 0.64 0.17 0.00 -1.74 0.00 0.00 39.64 39.34 1dgq n ILE 248 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1dgq h ASP 249 N 0.33 1.04 -1.29 7.28 3.58 -1.98 0.76 116.42 126.14 1dgq h ASP 249 Ca -0.09 0.00 0.37 0.00 0.42 0.00 0.00 57.03 57.73 1dgq h ASP 249 Cb 1.54 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 42.30 1dgq h ASP 249 CO 0.02 0.69 0.91 0.00 -2.88 0.00 0.00 179.24 177.98 1dgq h ALA 250 N 1.45 3.08 -0.45 -0.78 0.00 -1.97 -0.12 119.26 120.47 1dgq h ALA 250 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dgq h ALA 250 Cb 0.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dgq h ALA 250 CO -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 179.25 177.62 1dgq n ALA 251 N -2.73 2.24 -0.29 0.00 0.00 0.24 -4.76 120.51 115.19 1dgq n ALA 251 Ca 0.29 -1.18 0.11 0.00 0.00 0.00 0.00 53.44 52.66 1dgq n ALA 251 Cb 1.32 -0.57 0.26 0.00 0.00 0.00 0.00 19.45 20.45 1dgq n ALA 251 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1dgq h LYS 252 N 2.68 0.15 0.00 0.00 2.10 -0.76 0.12 116.57 120.86 1dgq h LYS 252 Ca 0.00 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 1dgq h LYS 252 Cb 0.80 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.08 1dgq h LYS 252 CO 0.00 0.10 -0.62 0.22 -2.00 0.00 0.00 179.45 177.15 1dgq h ASP 253 N 0.16 0.00 -3.84 7.07 3.58 -1.86 -3.46 116.42 118.07 1dgq h ASP 253 Ca 0.52 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.48 1dgq h ASP 253 Cb 1.04 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.10 1dgq h ASP 253 CO -0.69 0.62 0.44 -0.63 -2.88 0.00 0.00 179.24 176.10 1dgq s ILE 254 N -3.34 3.62 -0.81 2.25 1.01 0.43 -4.94 121.20 119.42 1dgq s ILE 254 Ca 0.00 1.52 -0.26 0.00 0.00 0.00 0.00 60.65 61.91 1dgq s ILE 254 Cb 0.11 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.69 1dgq s ILE 254 CO 0.75 0.28 1.32 -0.63 0.00 0.00 0.00 174.94 176.66 1dgq s ILE 255 N -1.30 3.77 -0.86 2.92 -1.09 0.23 -4.85 121.20 120.02 1dgq s ILE 255 Ca 0.48 0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.76 1dgq s ILE 255 Cb -0.28 -4.96 0.01 0.00 -1.58 0.00 0.00 42.46 35.65 1dgq s ILE 255 CO 0.36 -1.88 1.62 -0.13 -1.23 0.00 0.00 174.94 173.69 1dgq s ARG 256 N 5.54 3.05 0.06 2.79 3.00 -1.26 -0.41 118.95 131.72 1dgq s ARG 256 Ca 0.38 -0.40 -0.21 0.00 0.00 0.00 0.00 55.73 55.50 1dgq s ARG 256 Cb -0.06 -4.85 -0.06 0.00 0.00 0.00 0.00 34.95 29.97 1dgq s ARG 256 CO 0.09 -2.61 0.62 -0.47 0.00 0.00 0.00 175.30 172.93 1dgq s TYR 257 N 7.27 3.77 -0.04 -0.53 6.14 0.17 -1.10 117.35 133.03 1dgq s TYR 257 Ca 0.54 1.31 -0.02 0.00 0.64 0.00 0.00 57.07 59.55 1dgq s TYR 257 Cb -0.06 -2.60 0.03 0.00 0.42 0.00 0.00 41.96 39.75 1dgq s TYR 257 CO 0.03 0.47 0.05 -1.50 0.64 0.00 0.00 175.55 175.24 1dgq s ILE 258 N -0.69 -0.09 -0.35 3.14 2.07 0.27 -0.22 121.20 125.32 1dgq s ILE 258 Ca 0.31 0.38 -0.15 0.00 -1.41 0.00 0.00 60.65 59.78 1dgq s ILE 258 Cb -0.20 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.25 1dgq s ILE 258 CO 0.20 0.16 0.37 -0.63 -1.91 0.00 0.00 174.94 173.13 1dgq s ILE 259 N 1.94 5.16 -0.47 2.00 1.01 0.13 -0.68 121.20 130.29 1dgq s ILE 259 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1dgq s ILE 259 Cb -0.12 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1dgq s ILE 259 CO -0.03 -0.14 0.40 -0.83 0.00 0.00 0.00 174.94 174.34 1dgq s GLY 260 N 1.74 2.02 0.27 6.18 0.00 0.22 -1.12 107.32 116.63 1dgq s GLY 260 Ca 0.12 -2.03 -0.29 0.00 0.00 0.00 0.00 44.72 42.51 1dgq s GLY 260 CO 0.12 1.07 1.28 -0.42 0.00 0.00 0.00 173.10 175.15 1dgq s ILE 261 N 1.72 3.01 -0.24 0.90 -1.09 0.14 -0.28 121.20 125.36 1dgq s ILE 261 Ca 0.05 0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 59.34 1dgq s ILE 261 Cb -0.23 -3.60 -0.23 0.00 -1.58 0.00 0.00 42.46 36.82 1dgq s ILE 261 CO 0.08 0.19 3.42 0.61 -1.23 0.00 0.00 174.94 178.01 1dgq n GLY 262 N 1.52 3.12 0.29 6.18 0.00 0.19 -3.09 105.19 113.40 1dgq n GLY 262 Ca 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 1dgq n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgq n LYS 263 N 2.69 0.26 0.02 1.61 4.76 -1.26 -4.17 118.16 122.06 1dgq n LYS 263 Ca 0.47 0.10 -0.22 0.00 -2.87 0.00 0.00 58.31 55.79 1dgq n LYS 263 Cb 0.78 -0.91 -0.14 0.00 -1.84 0.00 0.00 35.03 32.93 1dgq n LYS 263 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dgq h HIS 264 N -0.48 0.49 0.00 2.13 3.86 -1.57 -3.36 115.15 116.21 1dgq h HIS 264 Ca 0.00 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1dgq h HIS 264 Cb 0.48 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1dgq h HIS 264 CO -0.21 1.58 0.00 1.19 0.86 0.00 0.00 177.93 181.36 1dgq n PHE 265 N -3.85 0.00 0.10 2.45 3.72 -1.18 -1.88 117.46 116.82 1dgq n PHE 265 Ca -0.25 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.11 1dgq n PHE 265 Cb 0.93 -0.04 0.12 0.00 -0.94 0.00 0.00 39.48 39.55 1dgq n PHE 265 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1dgq h GLN 266 N 0.31 0.15 -6.01 -1.08 3.07 -1.73 -3.43 115.11 106.39 1dgq h GLN 266 Ca 0.00 -0.11 -0.57 0.00 0.09 0.00 0.00 58.65 58.05 1dgq h GLN 266 Cb 0.22 0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.74 1dgq h GLN 266 CO 0.00 0.74 0.40 0.95 0.09 0.00 0.00 178.83 181.02 1dgq s THR 267 N -3.63 4.87 0.22 1.86 -4.23 -0.79 -4.96 115.64 108.98 1dgq s THR 267 Ca -0.03 1.70 -0.16 0.00 -1.18 0.00 0.00 61.69 62.02 1dgq s THR 267 Cb 0.12 -4.17 0.23 0.00 1.34 0.00 0.00 72.50 70.03 1dgq s THR 267 CO 0.79 0.04 1.58 0.50 -0.54 0.00 0.00 174.62 176.99 1dgq h LYS 268 N 7.25 -0.06 -0.90 3.99 1.63 -1.90 0.10 116.57 126.67 1dgq h LYS 268 Ca -0.30 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.64 1dgq h LYS 268 Cb 1.14 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.69 1dgq h LYS 268 CO 0.83 -0.04 0.51 1.05 -3.45 0.00 0.00 179.45 178.35 1dgq h GLU 269 N -0.07 0.72 0.00 1.90 9.09 -1.97 0.63 114.58 124.88 1dgq h GLU 269 Ca 0.31 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.68 1dgq h GLU 269 Cb 0.57 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1dgq h GLU 269 CO -0.79 0.47 -0.00 0.77 0.05 0.00 0.00 179.01 179.51 1dgq h SER 270 N 0.74 -0.00 -0.55 3.06 0.02 -1.17 -3.05 113.55 112.59 1dgq h SER 270 Ca 0.48 -0.29 0.11 0.00 -0.84 0.00 0.00 61.79 61.25 1dgq h SER 270 Cb 0.63 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.08 1dgq h SER 270 CO -0.33 0.29 0.01 1.56 -1.14 0.00 0.00 176.83 177.22 1dgq h GLN 271 N -0.29 0.13 -0.78 3.45 4.20 -0.12 -0.62 115.11 121.07 1dgq h GLN 271 Ca -0.00 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.90 1dgq h GLN 271 Cb 0.29 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1dgq h GLN 271 CO 0.00 0.08 0.54 0.93 -0.67 0.00 0.00 178.83 179.71 1dgq h GLU 272 N 0.13 0.20 -0.37 1.46 4.39 -0.82 -0.27 114.58 119.30 1dgq h GLU 272 Ca 0.28 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1dgq h GLU 272 Cb 0.44 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1dgq h GLU 272 CO -0.46 0.13 0.12 1.79 -1.16 0.00 0.00 179.01 179.44 1dgq h THR 273 N 0.21 1.21 -0.81 1.13 1.35 -1.04 -2.82 112.91 112.13 1dgq h THR 273 Ca 0.39 -0.68 0.13 0.00 -0.55 0.00 0.00 66.41 65.69 1dgq h THR 273 Cb 1.21 0.95 -0.09 0.00 -1.73 0.00 0.00 68.15 68.50 1dgq h THR 273 CO -0.08 0.24 0.42 -0.07 -0.25 0.00 0.00 175.52 175.78 1dgq h LEU 274 N 0.45 0.53 -1.48 3.87 3.38 -1.05 0.88 115.31 121.90 1dgq h LEU 274 Ca 0.12 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.32 1dgq h LEU 274 Cb 0.25 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1dgq h LEU 274 CO -0.00 0.26 0.54 0.45 0.09 0.00 0.00 178.44 179.77 1dgq h HIS 275 N 0.65 0.60 -0.11 1.13 3.86 -1.28 0.14 115.15 120.14 1dgq h HIS 275 Ca 0.43 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.51 1dgq h HIS 275 Cb 0.54 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.83 1dgq h HIS 275 CO -0.09 0.22 -0.51 0.87 0.86 0.00 0.00 177.93 179.27 1dgq h LYS 276 N 0.51 0.53 -0.28 2.45 1.57 -0.80 -3.32 116.57 117.23 1dgq h LYS 276 Ca 0.40 -0.43 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1dgq h LYS 276 Cb 0.83 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1dgq h LYS 276 CO -0.15 1.06 0.03 0.74 -0.57 0.00 0.00 179.45 180.56 1dgq h PHE 277 N 0.14 0.50 -4.15 -1.35 0.04 -0.73 -3.45 116.94 107.94 1dgq h PHE 277 Ca -0.03 -0.07 -0.51 0.00 2.80 0.00 0.00 57.97 60.15 1dgq h PHE 277 Cb 1.16 -0.14 0.18 0.00 2.20 0.00 0.00 35.95 39.35 1dgq h PHE 277 CO 0.11 0.58 0.22 0.00 -0.60 0.00 0.00 178.31 178.62 1dgq s ALA 278 N -5.13 1.39 0.74 2.45 0.00 0.37 -4.80 121.76 116.78 1dgq s ALA 278 Ca -0.13 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1dgq s ALA 278 Cb 0.08 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1dgq s ALA 278 CO 0.75 -2.69 1.07 -1.12 0.00 0.00 0.00 175.76 173.77 1dgq s SER 279 N -2.82 4.94 0.02 0.00 0.01 -0.26 -4.90 113.70 110.69 1dgq s SER 279 Ca 0.66 1.57 -0.01 0.00 1.31 0.00 0.00 55.95 59.48 1dgq s SER 279 Cb -0.22 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1dgq s SER 279 CO 0.58 -1.72 0.16 -0.54 0.41 0.00 0.00 173.24 172.14 1dgq s LYS 280 N -5.04 3.32 0.07 12.44 -0.14 -1.26 -3.58 119.74 125.54 1dgq s LYS 280 Ca 0.59 -0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 54.48 1dgq s LYS 280 Cb -0.15 -3.00 -0.06 0.00 -1.68 0.00 0.00 37.83 32.94 1dgq s LYS 280 CO 0.55 0.64 1.19 -2.14 -0.76 0.00 0.00 175.35 174.83 1dgq s PRO 281 N -2.10 4.44 0.52 -1.68 0.02 -1.26 -4.98 135.00 129.96 1dgq s PRO 281 Ca 0.29 1.76 0.22 0.00 0.02 0.00 0.00 61.00 63.28 1dgq s PRO 281 Cb -0.13 -3.34 1.34 0.00 0.02 0.00 0.00 34.50 32.39 1dgq s PRO 281 CO 0.21 -0.23 2.05 0.00 -0.33 0.00 0.00 177.00 178.70 1dgq h ALA 282 N 6.69 2.31 -0.76 -1.55 0.00 -1.86 0.84 119.26 124.93 1dgq h ALA 282 Ca -0.42 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1dgq h ALA 282 Cb 1.21 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1dgq h ALA 282 CO 0.80 -0.41 0.50 0.66 0.00 0.00 0.00 179.25 180.81 1dgq h SER 283 N 0.01 0.56 0.04 0.00 4.64 -1.89 0.18 113.55 117.09 1dgq h SER 283 Ca 0.16 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 1dgq h SER 283 Cb 0.64 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1dgq h SER 283 CO -0.00 0.33 -0.83 -0.33 -0.87 0.00 0.00 176.83 175.12 1dgq h GLU 284 N 0.62 0.08 0.00 4.77 4.39 -1.22 -3.40 114.58 119.81 1dgq h GLU 284 Ca 0.36 -0.13 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 1dgq h GLU 284 Cb 0.55 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1dgq h GLU 284 CO -0.13 1.06 -0.94 0.74 -1.16 0.00 0.00 179.01 178.58 1dgq h PHE 285 N -0.79 0.00 -3.39 4.33 0.04 -1.18 -3.44 116.94 112.51 1dgq h PHE 285 Ca -0.20 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.98 1dgq h PHE 285 Cb 1.33 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.39 1dgq h PHE 285 CO 0.17 0.88 -0.07 0.08 -0.60 0.00 0.00 178.31 178.77 1dgq s VAL 286 N -2.76 5.14 -0.31 -0.55 1.01 0.61 -0.57 120.40 122.96 1dgq s VAL 286 Ca 0.01 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1dgq s VAL 286 Cb 0.09 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.71 1dgq s VAL 286 CO 0.80 0.25 0.00 -0.54 0.00 0.00 0.00 175.10 175.61 1dgq s LYS 287 N 1.14 1.92 -0.57 2.72 -0.14 0.14 -4.76 119.74 120.19 1dgq s LYS 287 Ca 0.26 -1.61 -0.28 0.00 -1.36 0.00 0.00 55.97 52.98 1dgq s LYS 287 Cb -0.15 -3.13 0.01 0.00 -1.68 0.00 0.00 37.83 32.87 1dgq s LYS 287 CO 0.10 -0.78 1.49 0.42 -0.76 0.00 0.00 175.35 175.82 1dgq s ILE 288 N 1.04 3.70 -0.05 2.17 -1.09 -1.26 -0.61 121.20 125.10 1dgq s ILE 288 Ca 0.02 0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 58.84 1dgq s ILE 288 Cb -0.20 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.27 1dgq s ILE 288 CO -0.06 -1.14 0.44 -0.22 -1.23 0.00 0.00 174.94 172.73 1dgq s LEU 289 N 6.51 4.39 0.10 2.97 0.20 0.62 -4.93 118.68 128.54 1dgq s LEU 289 Ca 0.55 0.90 -0.29 0.00 0.69 0.00 0.00 54.13 55.98 1dgq s LEU 289 Cb -0.11 -2.64 -0.11 0.00 -0.43 0.00 0.00 46.19 42.89 1dgq s LEU 289 CO 0.24 0.18 1.63 0.44 -0.29 0.00 0.00 176.35 178.55 1dgq h ASP 290 N 5.60 -0.82 -5.07 3.68 5.19 -1.94 0.55 116.42 123.62 1dgq h ASP 290 Ca -0.47 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 55.96 1dgq h ASP 290 Cb 1.20 0.29 -0.14 0.00 0.18 0.00 0.00 39.33 40.86 1dgq h ASP 290 CO 0.68 -0.41 -0.10 0.42 -3.12 0.00 0.00 179.24 176.70 1dgq s THR 291 N -6.03 0.07 0.27 0.35 -4.23 -1.26 -3.16 115.64 101.65 1dgq s THR 291 Ca -0.16 -0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1dgq s THR 291 Cb 0.07 -1.10 0.27 0.00 1.34 0.00 0.00 72.50 73.08 1dgq s THR 291 CO 0.64 -0.31 1.69 -0.26 -0.54 0.00 0.00 174.62 175.84 1dgq h PHE 292 N 2.62 0.48 -0.84 3.99 0.04 -1.95 -0.56 116.94 120.72 1dgq h PHE 292 Ca -0.33 0.04 0.20 0.00 2.80 0.00 0.00 57.97 60.68 1dgq h PHE 292 Cb 1.23 -0.08 -0.15 0.00 2.20 0.00 0.00 35.95 39.16 1dgq h PHE 292 CO 0.36 -0.07 0.00 0.93 -0.60 0.00 0.00 178.31 178.94 1dgq h GLU 293 N 0.34 0.08 0.00 1.51 3.07 -1.96 0.61 114.58 118.23 1dgq h GLU 293 Ca 0.50 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1dgq h GLU 293 Cb 0.91 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1dgq h GLU 293 CO -0.53 0.05 0.00 1.63 -1.40 0.00 0.00 179.01 178.76 1dgq n LYS 294 N -5.39 0.98 -0.28 2.33 4.76 -0.22 -3.53 118.16 116.80 1dgq n LYS 294 Ca 0.16 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 1dgq n LYS 294 Cb 0.55 -1.44 0.23 0.00 -1.84 0.00 0.00 35.03 32.53 1dgq n LYS 294 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dgq h LEU 295 N 0.00 0.26 -1.83 -0.35 3.38 -0.86 0.86 115.31 116.77 1dgq h LEU 295 Ca 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1dgq h LEU 295 Cb 0.00 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1dgq h LEU 295 CO 0.00 0.05 -0.10 0.11 0.09 0.00 0.00 178.44 178.59 1dgq h LYS 296 N 0.41 0.00 0.14 1.13 1.57 -1.76 0.58 116.57 118.63 1dgq h LYS 296 Ca 0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1dgq h LYS 296 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1dgq h LYS 296 CO -0.47 0.10 -0.07 0.22 -0.57 0.00 0.00 179.45 178.66 1dgq h ASP 297 N 0.00 -0.16 -0.87 0.86 3.58 -1.23 -3.36 116.42 115.24 1dgq h ASP 297 Ca -0.00 -0.10 0.23 0.00 0.42 0.00 0.00 57.03 57.58 1dgq h ASP 297 Cb 0.17 0.04 -0.15 0.00 1.72 0.00 0.00 39.33 41.12 1dgq h ASP 297 CO 0.01 0.36 0.15 0.25 -2.88 0.00 0.00 179.24 177.13 1dgq h LEU 298 N -1.03 -0.16 -0.91 2.28 5.85 -0.69 0.17 115.31 120.81 1dgq h LEU 298 Ca -0.02 0.21 0.20 0.00 0.84 0.00 0.00 57.88 59.11 1dgq h LEU 298 Cb 0.25 0.33 -0.17 0.00 0.37 0.00 0.00 40.66 41.43 1dgq h LEU 298 CO 0.03 -0.20 -0.17 0.33 -0.34 0.00 0.00 178.44 178.09 1dgq n PHE 299 N -5.30 0.39 -0.19 1.25 7.35 0.17 -0.07 117.46 121.06 1dgq n PHE 299 Ca 0.20 1.11 -0.03 0.00 -0.76 0.00 0.00 57.45 57.97 1dgq n PHE 299 Cb 0.66 -1.07 0.07 0.00 0.35 0.00 0.00 39.48 39.50 1dgq n PHE 299 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1dgq h THR 300 N 0.00 0.92 -0.32 -2.13 2.02 -0.83 0.88 112.91 113.46 1dgq h THR 300 Ca 0.47 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.41 1dgq h THR 300 Cb 0.78 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1dgq h THR 300 CO -0.92 0.10 -0.03 -0.08 0.37 0.00 0.00 175.52 174.95 1dgq h GLU 301 N 0.52 0.58 0.20 6.66 4.81 -0.54 0.72 114.58 127.54 1dgq h GLU 301 Ca 0.26 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1dgq h GLU 301 Cb 0.19 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1dgq h GLU 301 CO -0.19 0.74 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.66 1dgq h LEU 302 N 0.37 -0.23 -0.60 1.64 4.07 -0.90 -3.02 115.31 116.64 1dgq h LEU 302 Ca 0.09 -0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.09 1dgq h LEU 302 Cb 0.50 0.06 -0.11 0.00 1.08 0.00 0.00 40.66 42.19 1dgq h LEU 302 CO 0.02 -0.07 -0.07 1.56 -1.08 0.00 0.00 178.44 178.80 1dgq h GLN 303 N -0.38 0.05 -0.84 1.13 1.08 -0.65 0.20 115.11 115.71 1dgq h GLN 303 Ca -0.03 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.32 1dgq h GLN 303 Cb 0.29 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.61 1dgq h GLN 303 CO 0.05 0.03 0.41 -0.22 -0.95 0.00 0.00 178.83 178.15 1dgq h LYS 304 N 0.05 0.56 0.12 1.46 1.63 -0.81 0.73 116.57 120.31 1dgq h LYS 304 Ca 0.30 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 1dgq h LYS 304 Cb 0.48 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1dgq h LYS 304 CO -0.57 0.37 -0.06 0.87 -3.45 0.00 0.00 179.45 176.61 1dgq h LYS 305 N 0.57 -0.16 -0.95 1.90 1.57 -0.99 -3.36 116.57 115.16 1dgq h LYS 305 Ca 0.46 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.45 1dgq h LYS 305 Cb 0.68 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.92 1dgq h LYS 305 CO -0.38 0.17 0.53 0.82 -0.57 0.00 0.00 179.45 180.01 1dgq h ILE 306 N -0.99 0.64 -0.75 1.86 2.04 -0.42 0.95 117.51 120.84 1dgq h ILE 306 Ca -0.02 -0.22 0.16 0.00 1.00 0.00 0.00 64.86 65.78 1dgq h ILE 306 Cb 0.39 -0.05 -0.14 0.00 -0.74 0.00 0.00 36.82 36.28 1dgq h ILE 306 CO 0.03 0.12 -0.14 0.22 0.00 0.00 0.00 178.15 178.37 1dgq h TYR 307 N 0.63 -0.31 -0.07 1.37 3.20 -1.00 -1.88 116.97 118.91 1dgq h TYR 307 Ca 0.56 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.52 1dgq h TYR 307 Cb 0.94 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 1dgq h TYR 307 CO -0.05 -0.30 0.09 0.28 -1.64 0.00 0.00 178.16 176.53 1dgq h VAL 308 N 0.02 0.44 -0.95 1.81 2.07 -0.95 0.22 116.25 118.91 1dgq h VAL 308 Ca 0.37 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.00 1dgq h VAL 308 Cb 0.60 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1dgq h VAL 308 CO -0.75 0.00 0.61 0.40 0.02 0.00 0.00 177.57 177.85 1dgq h ILE 309 N 0.00 0.97 0.05 4.57 2.04 -1.43 -2.76 117.51 120.95 1dgq h ILE 309 Ca 0.03 -0.33 -0.37 0.00 1.00 0.00 0.00 64.86 65.19 1dgq h ILE 309 Cb 0.21 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 1dgq h ILE 309 CO -0.00 0.18 -2.17 1.21 0.00 0.00 0.00 178.15 177.37 1dgq n GLU 310 N -4.55 0.70 -0.31 2.37 2.13 -0.13 -1.64 120.64 119.20 1dgq n GLU 310 Ca 0.17 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1dgq n GLU 310 Cb 0.31 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1dgq n GLU 310 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13