#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 5.55 -1.83 3.04 0.00 -1.26 -4.60 120.51 121.41 1dgq n ALA 125 Ca 0.00 -2.75 -0.42 0.00 0.00 0.00 0.00 53.44 50.28 1dgq n ALA 125 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 19.45 16.20 1dgq n ALA 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dgq s SER 126 N 3.15 6.48 0.29 0.00 0.15 -1.26 -4.89 113.70 117.63 1dgq s SER 126 Ca 0.51 2.77 0.15 0.00 0.70 0.00 0.00 55.95 60.08 1dgq s SER 126 Cb 0.13 -2.60 0.33 0.00 -1.71 0.00 0.00 66.02 62.17 1dgq s SER 126 CO -0.03 -0.88 1.57 0.11 1.20 0.00 0.00 173.24 175.20 1dgq h LYS 127 N 6.37 0.00 -4.51 5.44 1.79 -1.91 -3.31 116.57 120.43 1dgq h LYS 127 Ca -0.44 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.38 1dgq h LYS 127 Cb 1.21 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1dgq h LYS 127 CO 0.90 0.54 2.59 0.41 -1.08 0.00 0.00 179.45 182.81 1dgq n GLY 128 N 0.66 3.32 3.63 3.86 0.00 -1.26 -4.94 105.19 110.46 1dgq n GLY 128 Ca 0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1dgq n GLY 128 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dgq n ASN 129 N 7.49 0.97 -3.68 1.61 5.15 -1.25 -4.87 115.26 120.68 1dgq n ASN 129 Ca 0.50 0.83 -0.16 0.00 -0.60 0.00 0.00 54.58 55.15 1dgq n ASN 129 Cb 0.41 -1.41 -0.15 0.00 -0.53 0.00 0.00 39.78 38.10 1dgq n ASN 129 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dgq s VAL 130 N -1.48 -0.22 -0.57 3.44 1.01 0.49 -0.36 120.40 122.71 1dgq s VAL 130 Ca 0.75 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 1dgq s VAL 130 Cb -0.42 -0.29 0.11 0.00 0.00 0.00 0.00 36.38 35.78 1dgq s VAL 130 CO 0.47 0.13 0.62 -1.81 0.00 0.00 0.00 175.10 174.52 1dgq s ASP 131 N 2.09 6.19 -0.46 3.32 1.01 0.37 -0.41 116.67 128.78 1dgq s ASP 131 Ca 0.01 -1.53 -0.16 0.00 0.71 0.00 0.00 52.55 51.58 1dgq s ASP 131 Cb -0.12 -2.27 0.06 0.00 1.01 0.00 0.00 42.92 41.60 1dgq s ASP 131 CO -0.06 -1.00 0.38 -0.22 0.21 0.00 0.00 175.17 174.48 1dgq s LEU 132 N 2.28 5.44 -0.36 1.23 0.20 0.46 -0.59 118.68 127.35 1dgq s LEU 132 Ca 0.08 -1.17 -0.19 0.00 0.69 0.00 0.00 54.13 53.54 1dgq s LEU 132 Cb -0.26 -2.19 -0.00 0.00 -0.43 0.00 0.00 46.19 43.31 1dgq s LEU 132 CO 0.05 -0.60 0.54 -0.69 -0.29 0.00 0.00 176.35 175.37 1dgq s VAL 133 N 1.71 4.98 -0.68 1.68 1.01 0.34 -0.60 120.40 128.84 1dgq s VAL 133 Ca 0.05 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 1dgq s VAL 133 Cb -0.22 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1dgq s VAL 133 CO 0.08 -0.26 1.11 -0.36 0.00 0.00 0.00 175.10 175.67 1dgq s PHE 134 N 2.48 2.52 -0.94 5.22 0.08 0.22 -0.44 117.98 127.11 1dgq s PHE 134 Ca 0.20 -0.24 -0.17 0.00 0.12 0.00 0.00 56.93 56.84 1dgq s PHE 134 Cb -0.15 -4.42 0.15 0.00 -0.57 0.00 0.00 43.02 38.03 1dgq s PHE 134 CO 0.14 -1.80 1.08 -1.17 -0.10 0.00 0.00 175.22 173.37 1dgq s LEU 135 N 4.80 5.42 -0.14 -0.37 2.96 0.40 -0.55 118.68 131.19 1dgq s LEU 135 Ca 0.29 -2.28 -0.05 0.00 -0.22 0.00 0.00 54.13 51.87 1dgq s LEU 135 Cb -0.12 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1dgq s LEU 135 CO 0.14 -0.92 0.03 0.72 -1.32 0.00 0.00 176.35 175.00 1dgq s PHE 136 N 2.01 3.22 0.13 5.38 -0.71 -0.01 -0.69 117.98 127.31 1dgq s PHE 136 Ca 0.31 0.09 -0.30 0.00 -1.04 0.00 0.00 56.93 55.98 1dgq s PHE 136 Cb -0.06 -1.96 -0.06 0.00 -1.21 0.00 0.00 43.02 39.73 1dgq s PHE 136 CO -0.09 0.27 1.02 0.34 -1.34 0.00 0.00 175.22 175.42 1dgq s ASP 137 N -0.13 7.39 -0.41 1.98 -1.08 0.59 -0.59 116.67 124.42 1dgq s ASP 137 Ca 0.06 1.90 0.11 0.00 -0.52 0.00 0.00 52.55 54.09 1dgq s ASP 137 Cb -0.12 -2.59 0.41 0.00 -1.46 0.00 0.00 42.92 39.16 1dgq s ASP 137 CO 0.02 -0.15 0.98 0.61 0.52 0.00 0.00 175.17 177.14 1dgq n GLY 138 N 2.27 4.02 3.81 2.66 0.00 0.59 -4.87 105.19 113.66 1dgq n GLY 138 Ca 0.03 -2.10 -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 -3.22 4.69 0.57 1.61 1.04 -1.26 -0.44 113.70 116.68 1dgq s SER 139 Ca 0.40 1.34 0.28 0.00 0.48 0.00 0.00 55.95 58.45 1dgq s SER 139 Cb 0.40 -2.10 1.48 0.00 0.10 0.00 0.00 66.02 65.89 1dgq s SER 139 CO -0.09 -1.85 1.94 0.00 0.98 0.00 0.00 173.24 174.22 1dgq h MET 140 N -1.00 0.00 -0.96 4.02 -0.00 -1.18 0.62 114.93 116.42 1dgq h MET 140 Ca -0.46 0.00 0.16 0.00 -0.00 0.00 0.00 59.70 59.40 1dgq h MET 140 Cb 1.26 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.77 1dgq h MET 140 CO 0.59 0.00 0.61 0.77 -0.00 0.00 0.00 176.91 178.88 1dgq h SER 141 N 0.00 0.73 -3.02 -0.10 0.02 -1.92 -3.41 113.55 105.85 1dgq h SER 141 Ca 0.25 0.06 -0.56 0.00 -0.84 0.00 0.00 61.79 60.70 1dgq h SER 141 Cb 1.16 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1dgq h SER 141 CO -0.00 0.32 0.78 -0.76 -1.14 0.00 0.00 176.83 176.03 1dgq s LEU 142 N -10.01 4.25 0.26 5.07 2.01 0.21 -5.04 118.68 115.42 1dgq s LEU 142 Ca -0.11 1.78 -0.03 0.00 0.01 0.00 0.00 54.13 55.79 1dgq s LEU 142 Cb 0.23 -3.55 -0.05 0.00 0.01 0.00 0.00 46.19 42.83 1dgq s LEU 142 CO 0.80 -0.65 0.49 -1.10 1.01 0.00 0.00 176.35 176.89 1dgq s GLN 143 N 2.67 3.58 0.13 1.70 -1.52 -1.26 -4.86 119.66 120.10 1dgq s GLN 143 Ca 0.56 -0.15 -0.27 0.00 -1.95 0.00 0.00 55.36 53.54 1dgq s GLN 143 Cb -0.24 -2.73 -0.07 0.00 -0.22 0.00 0.00 33.01 29.76 1dgq s GLN 143 CO 0.19 0.29 1.47 -1.35 -0.25 0.00 0.00 175.29 175.64 1dgq h PRO 144 N 1.76 -0.08 -0.97 2.91 0.11 -1.97 0.21 132.00 133.96 1dgq h PRO 144 Ca -0.48 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1dgq h PRO 144 Cb 1.19 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1dgq h PRO 144 CO 0.67 -0.06 0.61 0.22 -0.21 0.00 0.00 178.00 179.23 1dgq h ASP 145 N -0.09 0.90 -0.29 -2.05 3.58 -1.98 0.15 116.42 116.65 1dgq h ASP 145 Ca 0.12 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1dgq h ASP 145 Cb 0.39 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1dgq h ASP 145 CO -0.73 0.51 -0.24 -0.33 -2.88 0.00 0.00 179.24 175.56 1dgq h GLU 146 N 0.99 0.67 -0.46 0.28 4.39 -1.43 0.25 114.58 119.27 1dgq h GLU 146 Ca 0.47 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1dgq h GLU 146 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1dgq h GLU 146 CO -0.25 0.94 0.29 0.35 -1.16 0.00 0.00 179.01 179.18 1dgq h PHE 147 N 0.41 0.54 -0.84 4.33 3.57 -0.31 0.55 116.94 125.20 1dgq h PHE 147 Ca 0.05 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1dgq h PHE 147 Cb 0.79 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1dgq h PHE 147 CO 0.07 0.33 0.54 1.96 -2.23 0.00 0.00 178.31 178.98 1dgq h GLN 148 N 0.58 0.84 -0.54 1.11 1.08 -0.40 0.89 115.11 118.68 1dgq h GLN 148 Ca 0.18 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 1dgq h GLN 148 Cb -0.03 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 1dgq h GLN 148 CO -0.06 0.55 -0.09 0.87 -0.95 0.00 0.00 178.83 179.15 1dgq h LYS 149 N 0.86 1.02 -0.43 1.46 1.57 0.21 0.28 116.57 121.53 1dgq h LYS 149 Ca 0.37 -0.37 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1dgq h LYS 149 Cb 0.32 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1dgq h LYS 149 CO -0.14 1.06 0.09 0.82 -0.57 0.00 0.00 179.45 180.71 1dgq h ILE 150 N 0.89 0.78 -0.12 1.86 1.08 0.19 -0.41 117.51 121.78 1dgq h ILE 150 Ca 0.14 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 1dgq h ILE 150 Cb 0.66 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1dgq h ILE 150 CO 0.05 0.04 0.03 -0.07 -0.69 0.00 0.00 178.15 177.50 1dgq h LEU 151 N 0.23 0.01 -0.62 1.44 3.38 -0.53 -2.93 115.31 116.28 1dgq h LEU 151 Ca 0.21 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.31 1dgq h LEU 151 Cb 0.26 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1dgq h LEU 151 CO -0.27 0.03 0.16 -0.78 0.09 0.00 0.00 178.44 177.67 1dgq h ASP 152 N 0.08 0.06 0.24 -0.43 3.58 0.17 0.10 116.42 120.22 1dgq h ASP 152 Ca 0.05 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1dgq h ASP 152 Cb 0.04 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 1dgq h ASP 152 CO -0.07 0.04 -0.41 0.15 -2.88 0.00 0.00 179.24 176.06 1dgq h PHE 153 N 0.30 -1.15 0.18 0.28 3.57 -0.95 0.31 116.94 119.48 1dgq h PHE 153 Ca 0.33 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1dgq h PHE 153 Cb 0.48 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1dgq h PHE 153 CO -0.23 -0.53 -0.16 0.52 -2.23 0.00 0.00 178.31 175.68 1dgq h MET 154 N -0.73 -0.35 -0.78 1.11 2.86 -1.17 -1.21 114.93 114.67 1dgq h MET 154 Ca -0.00 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.84 1dgq h MET 154 Cb 0.70 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 32.32 1dgq h MET 154 CO -0.17 -0.23 0.12 -0.22 1.06 0.00 0.00 176.91 177.47 1dgq h LYS 155 N -0.36 0.18 0.31 1.72 3.64 -0.73 0.11 116.57 121.43 1dgq h LYS 155 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1dgq h LYS 155 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1dgq h LYS 155 CO -0.03 0.12 -0.15 0.22 -2.27 0.00 0.00 179.45 177.34 1dgq h ASP 156 N 0.19 -0.35 -0.35 4.20 3.58 0.62 0.14 116.42 124.45 1dgq h ASP 156 Ca 0.45 -0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.88 1dgq h ASP 156 Cb 0.81 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.87 1dgq h ASP 156 CO -0.60 -0.12 -0.15 0.58 -2.88 0.00 0.00 179.24 176.07 1dgq h VAL 157 N -0.58 0.51 -0.20 2.25 2.07 -0.73 -0.73 116.25 118.84 1dgq h VAL 157 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1dgq h VAL 157 Cb 0.43 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1dgq h VAL 157 CO 0.07 0.00 0.03 0.24 0.02 0.00 0.00 177.57 177.93 1dgq h MET 158 N -0.09 0.10 0.10 1.57 2.86 -0.72 0.41 114.93 119.16 1dgq h MET 158 Ca 0.18 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1dgq h MET 158 Cb 0.36 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1dgq h MET 158 CO -0.41 0.07 -0.24 0.87 1.06 0.00 0.00 176.91 178.25 1dgq h LYS 159 N 0.11 -0.42 -0.61 1.72 1.79 -0.22 0.52 116.57 119.45 1dgq h LYS 159 Ca 0.09 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 1dgq h LYS 159 Cb 0.10 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 1dgq h LYS 159 CO -0.13 -0.28 0.30 0.87 -1.08 0.00 0.00 179.45 179.13 1dgq h LYS 160 N -0.43 0.53 -1.14 3.15 6.56 -0.79 -2.73 116.57 121.72 1dgq h LYS 160 Ca 0.03 -0.03 -0.65 0.00 -1.06 0.00 0.00 60.65 58.94 1dgq h LYS 160 Cb 0.47 -0.12 -0.33 0.00 -0.57 0.00 0.00 32.23 31.68 1dgq h LYS 160 CO -0.15 0.35 0.35 1.28 -2.06 0.00 0.00 179.45 179.22 1dgq n LEU 161 N -4.88 6.75 -3.64 2.94 4.77 0.10 -4.66 117.00 118.38 1dgq n LEU 161 Ca 0.08 -4.57 -0.43 0.00 -0.03 0.00 0.00 56.01 51.06 1dgq n LEU 161 Cb 0.20 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1dgq n LEU 161 CO 0.27 1.74 2.19 -1.20 -1.33 0.00 0.00 177.39 179.06 1dgq n SER 162 N -0.77 2.70 -3.90 -1.43 7.64 0.14 -4.74 113.62 113.26 1dgq n SER 162 Ca 0.55 -2.70 -0.08 0.00 1.01 0.00 0.00 58.87 57.65 1dgq n SER 162 Cb 0.67 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 1dgq n SER 162 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dgq s ASN 163 N 4.76 -0.19 0.06 6.43 4.22 -1.26 -5.04 114.94 123.92 1dgq s ASN 163 Ca 0.56 -0.74 -0.19 0.00 -2.14 0.00 0.00 52.86 50.35 1dgq s ASN 163 Cb 0.14 0.67 -0.07 0.00 1.28 0.00 0.00 41.25 43.28 1dgq s ASN 163 CO 0.09 -1.27 1.30 0.74 -2.04 0.00 0.00 177.10 175.92 1dgq h THR 164 N 2.10 0.00 -0.85 0.54 2.02 -1.90 -3.15 112.91 111.68 1dgq h THR 164 Ca -0.22 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.21 1dgq h THR 164 Cb 1.25 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1dgq h THR 164 CO 0.28 0.00 0.86 0.28 0.37 0.00 0.00 175.52 177.31 1dgq h SER 165 N -0.32 0.00 -3.73 4.18 0.02 -1.85 -3.07 113.55 108.78 1dgq h SER 165 Ca 0.02 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.18 1dgq h SER 165 Cb 0.38 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.66 1dgq h SER 165 CO -0.24 0.00 0.17 -0.31 -1.14 0.00 0.00 176.83 175.30 1dgq s TYR 166 N -4.61 3.76 -0.66 3.45 2.02 -1.19 -0.38 117.35 119.74 1dgq s TYR 166 Ca -0.04 -2.00 -0.27 0.00 -0.37 0.00 0.00 57.07 54.39 1dgq s TYR 166 Cb 0.17 -3.85 0.01 0.00 -0.40 0.00 0.00 41.96 37.89 1dgq s TYR 166 CO 0.57 -1.02 1.45 -0.65 -1.57 0.00 0.00 175.55 174.34 1dgq s GLN 167 N 0.22 3.09 0.40 -0.62 1.11 0.45 -4.81 119.66 119.50 1dgq s GLN 167 Ca 0.20 0.15 -0.13 0.00 0.01 0.00 0.00 55.36 55.59 1dgq s GLN 167 Cb -0.10 -4.21 -0.08 0.00 -1.01 0.00 0.00 33.01 27.62 1dgq s GLN 167 CO -0.09 -2.22 0.79 -0.06 0.01 0.00 0.00 175.29 173.72 1dgq s PHE 168 N 6.60 3.43 0.05 0.91 0.08 -1.26 -0.40 117.98 127.39 1dgq s PHE 168 Ca 0.47 1.17 -0.04 0.00 0.12 0.00 0.00 56.93 58.65 1dgq s PHE 168 Cb -0.10 -2.53 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 1dgq s PHE 168 CO 0.19 -0.08 0.07 0.00 -0.10 0.00 0.00 175.22 175.30 1dgq s ALA 169 N -2.28 0.11 -0.02 5.36 0.00 0.23 -3.56 121.76 121.60 1dgq s ALA 169 Ca 0.54 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1dgq s ALA 169 Cb -0.10 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1dgq s ALA 169 CO 0.26 -0.37 0.05 0.00 0.00 0.00 0.00 175.76 175.70 1dgq s ALA 170 N -3.31 -0.08 -0.20 0.00 0.00 0.11 -0.61 121.76 117.67 1dgq s ALA 170 Ca 0.01 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1dgq s ALA 170 Cb 0.03 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1dgq s ALA 170 CO -0.08 -0.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.62 1dgq s VAL 171 N 0.38 1.56 0.31 0.00 1.01 0.29 -0.17 120.40 123.77 1dgq s VAL 171 Ca -0.03 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1dgq s VAL 171 Cb -0.04 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 1dgq s VAL 171 CO -0.01 0.14 1.06 -1.58 0.00 0.00 0.00 175.10 174.70 1dgq s GLN 172 N 1.43 4.54 0.05 2.72 0.74 0.31 -0.83 119.66 128.62 1dgq s GLN 172 Ca -0.01 1.67 0.01 0.00 0.05 0.00 0.00 55.36 57.08 1dgq s GLN 172 Cb -0.16 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1dgq s GLN 172 CO -0.08 0.16 -0.06 -0.59 -0.55 0.00 0.00 175.29 174.17 1dgq s PHE 173 N -1.32 0.65 0.00 1.67 -0.71 0.24 -0.23 117.98 118.28 1dgq s PHE 173 Ca 0.48 -0.69 0.00 0.00 -1.04 0.00 0.00 56.93 55.68 1dgq s PHE 173 Cb -0.28 -0.40 0.00 0.00 -1.21 0.00 0.00 43.02 41.13 1dgq s PHE 173 CO 0.36 -0.15 0.00 0.45 -1.34 0.00 0.00 175.22 174.53 1dgq n SER 174 N 0.91 0.00 -0.31 1.98 2.88 -1.26 -0.30 113.62 117.52 1dgq n SER 174 Ca -0.19 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.40 1dgq n SER 174 Cb 0.57 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.87 -2.45 2.46 2.02 -1.79 0.16 112.91 114.17 1dgq h THR 175 Ca 0.00 -0.27 -0.55 0.00 0.77 0.00 0.00 66.41 66.35 1dgq h THR 175 Cb 0.00 -0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 1dgq h THR 175 CO 0.00 0.15 -0.59 -0.94 0.37 0.00 0.00 175.52 174.50 1dgq s SER 176 N -5.58 5.13 0.09 4.18 1.04 -1.26 -4.49 113.70 112.80 1dgq s SER 176 Ca -0.12 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 55.93 1dgq s SER 176 Cb 0.21 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.08 1dgq s SER 176 CO 0.79 0.02 0.29 -0.72 0.98 0.00 0.00 173.24 174.60 1dgq s TYR 177 N -2.01 3.51 -0.26 5.02 -0.85 -1.26 -4.40 117.35 117.10 1dgq s TYR 177 Ca 0.31 0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 57.27 1dgq s TYR 177 Cb -0.08 -1.89 0.13 0.00 0.38 0.00 0.00 41.96 40.49 1dgq s TYR 177 CO 0.22 0.53 0.31 0.21 -1.52 0.00 0.00 175.55 175.30 1dgq s LYS 178 N -2.47 0.31 -0.31 -3.49 2.20 0.68 -4.98 119.74 111.67 1dgq s LYS 178 Ca 0.36 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 1dgq s LYS 178 Cb -0.13 -0.70 -0.07 0.00 -1.51 0.00 0.00 37.83 35.42 1dgq s LYS 178 CO 0.25 -0.86 2.26 2.41 -0.36 0.00 0.00 175.35 179.05 1dgq n THR 179 N 5.33 0.23 -0.03 3.43 -1.04 -1.26 -0.53 114.28 120.40 1dgq n THR 179 Ca -0.03 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.05 61.38 1dgq n THR 179 Cb 0.48 -2.31 -0.09 0.00 -1.82 0.00 0.00 70.33 66.58 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 15.01 0.31 -2.10 -2.82 4.39 -0.91 -3.47 114.58 124.99 1dgq h GLU 180 Ca -0.34 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.05 1dgq h GLU 180 Cb 1.27 0.05 -0.19 0.00 -0.10 0.00 0.00 28.75 29.78 1dgq h GLU 180 CO 1.02 0.89 0.15 -0.59 -1.16 0.00 0.00 179.01 179.32 1dgq s PHE 181 N -3.63 -0.62 0.48 4.33 -0.12 -0.76 -4.84 117.98 112.81 1dgq s PHE 181 Ca -0.14 1.05 0.08 0.00 -0.05 0.00 0.00 56.93 57.86 1dgq s PHE 181 Cb 0.03 0.39 0.02 0.00 -0.63 0.00 0.00 43.02 42.84 1dgq s PHE 181 CO 0.77 -0.60 0.52 -0.51 -0.05 0.00 0.00 175.22 175.35 1dgq s ASP 182 N -1.23 5.09 0.16 1.98 1.01 -1.26 -0.72 116.67 121.69 1dgq s ASP 182 Ca -0.11 -0.82 -0.20 0.00 0.71 0.00 0.00 52.55 52.13 1dgq s ASP 182 Cb -0.00 -0.16 0.06 0.00 1.01 0.00 0.00 42.92 43.83 1dgq s ASP 182 CO 0.09 -0.94 1.65 -0.26 0.21 0.00 0.00 175.17 175.92 1dgq h PHE 183 N 0.68 -0.43 -0.90 4.23 0.04 -1.56 -0.47 116.94 118.54 1dgq h PHE 183 Ca -0.37 0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.55 1dgq h PHE 183 Cb 1.28 0.24 -0.08 0.00 2.20 0.00 0.00 35.95 39.59 1dgq h PHE 183 CO 0.57 -0.25 0.53 0.77 -0.60 0.00 0.00 178.31 179.33 1dgq h SER 184 N -0.13 0.75 0.23 2.17 0.02 -1.28 0.11 113.55 115.43 1dgq h SER 184 Ca 0.16 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1dgq h SER 184 Cb 0.38 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1dgq h SER 184 CO -0.39 0.40 -0.11 0.44 -1.14 0.00 0.00 176.83 176.03 1dgq h ASP 185 N 0.84 -0.26 -0.20 3.07 3.32 -1.47 0.14 116.42 121.87 1dgq h ASP 185 Ca 0.45 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.54 1dgq h ASP 185 Cb 0.45 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1dgq h ASP 185 CO -0.27 -0.16 -0.15 0.22 -1.72 0.00 0.00 179.24 177.16 1dgq h TYR 186 N -0.34 -0.37 -0.89 4.55 3.20 -0.43 0.66 116.97 123.35 1dgq h TYR 186 Ca -0.03 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1dgq h TYR 186 Cb 0.26 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1dgq h TYR 186 CO -0.05 -0.21 0.55 0.28 -1.64 0.00 0.00 178.16 177.08 1dgq h VAL 187 N -0.15 1.04 0.44 1.81 2.07 -0.57 0.35 116.25 121.24 1dgq h VAL 187 Ca 0.12 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1dgq h VAL 187 Cb 0.32 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1dgq h VAL 187 CO -0.29 0.18 -0.21 0.50 0.02 0.00 0.00 177.57 177.77 1dgq h LYS 188 N 1.00 -0.56 0.15 1.57 3.64 -0.15 -3.39 116.57 118.82 1dgq h LYS 188 Ca 0.39 0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.45 1dgq h LYS 188 Cb 0.19 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1dgq h LYS 188 CO -0.18 -0.27 -1.85 -1.49 -2.27 0.00 0.00 179.45 173.38 1dgq h TRP 189 N -1.02 0.58 -5.37 1.91 4.06 -0.76 -3.48 115.95 111.87 1dgq h TRP 189 Ca -0.06 -0.43 -0.38 0.00 2.06 0.00 0.00 58.89 60.09 1dgq h TRP 189 Cb 0.55 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.62 1dgq h TRP 189 CO 0.02 1.73 -0.56 1.63 -3.56 0.00 0.00 178.44 177.70 1dgq n LYS 190 N -3.57 -3.46 -3.67 0.49 5.02 0.12 -4.95 118.16 108.15 1dgq n LYS 190 Ca -0.29 0.50 -0.27 0.00 -2.02 0.00 0.00 58.31 56.23 1dgq n LYS 190 Cb 1.05 -5.22 -0.16 0.00 -0.02 0.00 0.00 35.03 30.68 1dgq n LYS 190 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dgq s ASP 191 N -2.71 2.82 0.21 4.39 2.15 -1.26 -5.04 116.67 117.23 1dgq s ASP 191 Ca 0.39 -0.84 -0.14 0.00 0.43 0.00 0.00 52.55 52.38 1dgq s ASP 191 Cb -0.20 -0.45 0.24 0.00 -0.30 0.00 0.00 42.92 42.21 1dgq s ASP 191 CO 0.48 -0.34 1.61 -0.65 -0.17 0.00 0.00 175.17 176.09 1dgq h PRO 192 N 8.32 -0.04 -0.12 4.34 0.11 -1.92 -0.99 132.00 141.71 1dgq h PRO 192 Ca -0.16 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1dgq h PRO 192 Cb 1.11 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1dgq h PRO 192 CO 0.34 -0.02 -0.03 0.22 -0.21 0.00 0.00 178.00 178.29 1dgq h ASP 193 N -0.04 -0.11 -0.31 -2.05 3.58 -1.96 0.27 116.42 115.80 1dgq h ASP 193 Ca 0.31 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.83 1dgq h ASP 193 Cb 0.52 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 1dgq h ASP 193 CO -0.71 -0.04 0.11 0.00 -2.88 0.00 0.00 179.24 175.72 1dgq h ALA 194 N 1.12 0.35 -0.53 -0.78 0.00 -1.82 0.20 119.26 117.80 1dgq h ALA 194 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dgq h ALA 194 Cb 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1dgq h ALA 194 CO -0.12 -0.29 0.19 -0.07 0.00 0.00 0.00 179.25 178.96 1dgq h LEU 195 N 0.24 0.70 -0.11 0.00 3.38 -0.68 -3.00 115.31 115.84 1dgq h LEU 195 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dgq h LEU 195 Cb 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dgq h LEU 195 CO -0.14 0.64 -0.42 0.18 0.09 0.00 0.00 178.44 178.79 1dgq n LEU 196 N -4.33 0.60 -0.31 1.67 4.77 0.89 -4.05 117.00 116.24 1dgq n LEU 196 Ca 0.04 -0.04 0.28 0.00 -0.03 0.00 0.00 56.01 56.26 1dgq n LEU 196 Cb 0.17 -0.23 0.62 0.00 -2.33 0.00 0.00 43.42 41.66 1dgq n LEU 196 CO 0.38 0.13 1.26 0.11 -1.33 0.00 0.00 177.39 177.95 1dgq h LYS 197 N 0.28 0.20 0.00 3.23 1.57 -0.84 0.28 116.57 121.28 1dgq h LYS 197 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dgq h LYS 197 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1dgq h LYS 197 CO 0.00 0.13 0.00 1.25 -0.57 0.00 0.00 179.45 180.26 1dgq h HIS 198 N 0.20 0.00 -0.70 -1.35 2.76 -1.79 -3.42 115.15 110.84 1dgq h HIS 198 Ca 0.57 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.38 1dgq h HIS 198 Cb 1.84 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.74 1dgq h HIS 198 CO -0.00 0.00 1.01 0.08 -1.30 0.00 0.00 177.93 177.72 1dgq s VAL 199 N -3.65 3.58 -0.36 5.26 1.01 0.09 -4.91 120.40 121.41 1dgq s VAL 199 Ca -0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 1dgq s VAL 199 Cb 0.09 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1dgq s VAL 199 CO 0.38 -1.15 0.50 -0.54 0.00 0.00 0.00 175.10 174.29 1dgq s LYS 200 N 6.43 3.56 -0.04 2.72 1.02 -1.26 -5.03 119.74 127.15 1dgq s LYS 200 Ca 0.66 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 1dgq s LYS 200 Cb -0.04 -3.82 -0.06 0.00 -0.52 0.00 0.00 37.83 33.39 1dgq s LYS 200 CO 0.03 -0.66 1.66 -1.58 -0.92 0.00 0.00 175.35 173.88 1dgq s HIS 201 N 2.35 1.99 -0.02 3.18 2.46 -1.26 -4.93 115.29 119.06 1dgq s HIS 201 Ca 0.18 0.18 -0.25 0.00 0.47 0.00 0.00 55.06 55.63 1dgq s HIS 201 Cb -0.16 -3.93 -0.19 0.00 -0.13 0.00 0.00 32.58 28.17 1dgq s HIS 201 CO 0.13 -3.91 1.23 0.52 -2.47 0.00 0.00 174.74 170.24 1dgq h MET 202 N 9.46 -0.06 -5.13 2.88 2.86 -1.95 -3.49 114.93 119.50 1dgq h MET 202 Ca -0.40 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.98 1dgq h MET 202 Cb 1.18 0.01 0.16 0.00 0.06 0.00 0.00 31.60 33.01 1dgq h MET 202 CO 0.95 0.40 -0.69 1.28 1.06 0.00 0.00 176.91 179.91 1dgq n LEU 203 N -4.89 -4.24 0.00 1.22 4.77 0.41 -4.92 117.00 109.35 1dgq n LEU 203 Ca -0.08 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1dgq n LEU 203 Cb 0.25 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 1dgq n LEU 203 CO 0.32 0.24 0.00 0.18 -1.33 0.00 0.00 177.39 176.81 1dgq n LEU 204 N -3.45 0.00 0.00 2.23 4.77 -1.25 -3.94 117.00 115.36 1dgq n LEU 204 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 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 0.52 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.76 1dgq n LEU 205 N 0.00 0.00 -3.37 2.23 4.77 -1.26 -0.98 117.00 118.38 1dgq n LEU 205 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1dgq n LEU 205 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1dgq n LEU 205 CO 0.00 0.00 -0.30 -0.89 -1.33 0.00 0.00 177.39 174.87 1dgq s THR 206 N 0.70 0.26 -1.42 -5.08 2.01 -1.25 -2.73 115.64 108.13 1dgq s THR 206 Ca 0.00 -2.50 -0.09 0.00 0.31 0.00 0.00 61.69 59.41 1dgq s THR 206 Cb 0.00 -1.18 0.06 0.00 0.01 0.00 0.00 72.50 71.39 1dgq s THR 206 CO 0.00 -1.17 2.37 -3.20 -0.69 0.00 0.00 174.62 171.94 1dgq n ASN 207 N 2.94 6.67 -0.04 3.53 2.85 0.57 -0.68 115.26 131.11 1dgq n ASN 207 Ca 0.28 -2.93 -0.11 0.00 -0.11 0.00 0.00 54.58 51.71 1dgq n ASN 207 Cb 0.47 -1.50 -0.06 0.00 1.24 0.00 0.00 39.78 39.94 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1dgq h THR 208 N 3.26 1.18 0.33 -0.44 2.02 -1.86 0.36 112.91 117.77 1dgq h THR 208 Ca 0.64 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1dgq h THR 208 Cb 0.45 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1dgq h THR 208 CO 1.68 0.17 -0.50 -0.26 0.37 0.00 0.00 175.52 176.98 1dgq h PHE 209 N 0.04 -1.42 -0.78 3.16 0.04 -1.85 0.20 116.94 116.34 1dgq h PHE 209 Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1dgq h PHE 209 Cb 0.23 0.58 -0.04 0.00 2.20 0.00 0.00 35.95 38.92 1dgq h PHE 209 CO 0.00 -0.63 0.44 0.78 -0.60 0.00 0.00 178.31 178.30 1dgq h GLY 210 N -0.88 1.14 1.23 -1.45 0.00 -1.79 -0.72 103.07 100.61 1dgq h GLY 210 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1dgq h GLY 210 CO -0.16 0.48 -0.08 0.00 0.00 0.00 0.00 176.54 176.78 1dgq h ALA 211 N 1.40 0.91 -0.04 3.60 0.00 -0.54 0.14 119.26 124.72 1dgq h ALA 211 Ca 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dgq h ALA 211 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1dgq h ALA 211 CO -0.05 0.64 0.03 0.82 0.00 0.00 0.00 179.25 180.69 1dgq h ILE 212 N 0.83 1.04 -0.38 0.00 2.04 0.01 0.54 117.51 121.58 1dgq h ILE 212 Ca 0.14 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1dgq h ILE 212 Cb 0.60 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1dgq h ILE 212 CO 0.04 0.03 0.11 0.78 0.00 0.00 0.00 178.15 179.11 1dgq h ASN 213 N 0.02 0.08 0.08 1.72 2.35 -0.81 0.43 115.58 119.45 1dgq h ASN 213 Ca 0.02 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1dgq h ASN 213 Cb 0.03 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 1dgq h ASN 213 CO -0.00 0.08 -0.41 0.22 -1.65 0.00 0.00 177.43 175.67 1dgq h TYR 214 N 0.25 -1.15 -0.30 1.19 3.20 -0.51 -2.74 116.97 116.91 1dgq h TYR 214 Ca 0.18 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.15 1dgq h TYR 214 Cb 0.18 0.50 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 1dgq h TYR 214 CO -0.17 -0.50 -0.13 0.28 -1.64 0.00 0.00 178.16 176.00 1dgq h VAL 215 N -0.62 0.57 -0.91 1.81 2.07 -0.46 0.37 116.25 119.09 1dgq h VAL 215 Ca 0.03 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.77 1dgq h VAL 215 Cb 0.66 0.57 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 1dgq h VAL 215 CO -0.26 0.00 0.44 0.00 0.02 0.00 0.00 177.57 177.77 1dgq h ALA 216 N 1.16 1.49 0.00 1.67 0.00 -0.64 -0.95 119.26 121.99 1dgq h ALA 216 Ca 0.15 0.14 -0.40 0.00 0.00 0.00 0.00 54.91 54.81 1dgq h ALA 216 Cb 0.32 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1dgq h ALA 216 CO -0.36 -0.30 -2.33 0.25 0.00 0.00 0.00 179.25 176.52 1dgq n THR 217 N -4.99 1.37 0.31 0.00 -2.24 -0.92 -4.37 114.28 103.44 1dgq n THR 217 Ca 0.23 -0.33 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1dgq n THR 217 Cb 0.65 -1.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.01 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 -4.13 0.46 -0.10 -0.78 -0.58 0.13 -4.49 120.64 111.16 1dgq n GLU 218 Ca -0.47 0.01 -0.21 0.00 -0.42 0.00 0.00 57.16 56.07 1dgq n GLU 218 Cb 0.83 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 29.96 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq n VAL 219 N -2.27 1.11 -1.36 2.62 0.31 -0.63 -4.71 118.33 113.40 1dgq n VAL 219 Ca 0.00 -0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 63.62 1dgq n VAL 219 Cb 0.50 -1.69 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 1dgq n VAL 219 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dgq n PHE 220 N -3.79 2.17 -4.37 3.52 3.72 -0.46 -4.75 117.46 113.50 1dgq n PHE 220 Ca -0.39 -1.85 -0.19 0.00 -0.05 0.00 0.00 57.45 54.96 1dgq n PHE 220 Cb 0.79 -1.92 -0.15 0.00 -0.94 0.00 0.00 39.48 37.26 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 5.09 0.84 0.26 -1.08 0.52 -1.26 -4.81 118.95 118.50 1dgq s ARG 221 Ca 0.58 -0.31 -0.02 0.00 -0.52 0.00 0.00 55.73 55.46 1dgq s ARG 221 Cb 0.12 -0.80 0.45 0.00 0.52 0.00 0.00 34.95 35.24 1dgq s ARG 221 CO 0.11 0.15 1.82 0.93 0.02 0.00 0.00 175.30 178.33 1dgq h GLU 222 N 6.17 0.84 -0.80 3.54 3.07 -1.89 0.39 114.58 125.90 1dgq h GLU 222 Ca -0.32 -0.05 0.19 0.00 -0.50 0.00 0.00 59.36 58.68 1dgq h GLU 222 Cb 1.17 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.85 1dgq h GLU 222 CO 0.49 0.56 0.55 1.05 -1.40 0.00 0.00 179.01 180.26 1dgq h GLU 223 N 0.87 0.25 -0.47 2.33 4.11 -1.96 0.18 114.58 119.88 1dgq h GLU 223 Ca 0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1dgq h GLU 223 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1dgq h GLU 223 CO -0.25 0.16 0.00 1.28 0.07 0.00 0.00 179.01 180.27 1dgq n LEU 224 N -4.43 2.94 0.00 3.06 4.77 -0.02 -4.92 117.00 118.41 1dgq n LEU 224 Ca 0.16 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1dgq n LEU 224 Cb 0.70 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1dgq n LEU 224 CO 0.34 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1dgq n GLY 225 N 1.39 0.78 3.55 -0.72 0.00 0.61 -0.89 105.19 109.92 1dgq n GLY 225 Ca 0.19 -0.28 -0.37 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 2.29 -0.04 4.61 0.00 -0.37 -4.63 121.76 121.62 1dgq s ALA 226 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 1dgq s ALA 226 Cb 0.00 -4.38 -0.06 0.00 0.00 0.00 0.00 23.12 18.68 1dgq s ALA 226 CO 0.00 -3.90 1.67 1.03 0.00 0.00 0.00 175.76 174.56 1dgq s ARG 227 N 6.42 4.18 0.33 0.00 0.52 -1.26 -3.88 118.95 125.26 1dgq s ARG 227 Ca 0.57 2.23 0.02 0.00 -0.52 0.00 0.00 55.73 58.02 1dgq s ARG 227 Cb -0.08 -3.96 0.57 0.00 0.52 0.00 0.00 34.95 31.99 1dgq s ARG 227 CO 0.11 -0.84 1.91 -1.00 0.02 0.00 0.00 175.30 175.50 1dgq h PRO 228 N 9.49 0.70 0.00 3.54 0.13 -1.99 -0.66 132.00 143.21 1dgq h PRO 228 Ca -0.40 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1dgq h PRO 228 Cb 1.18 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1dgq h PRO 228 CO 0.95 0.60 0.00 -0.40 -0.23 0.00 0.00 178.00 178.92 1dgq n ASP 229 N -4.34 0.62 -4.77 1.44 5.75 -1.26 -4.79 116.55 109.19 1dgq n ASP 229 Ca 0.04 0.63 -0.38 0.00 -0.01 0.00 0.00 54.79 55.07 1dgq n ASP 229 Cb 0.17 -0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 39.45 1dgq n ASP 229 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dgq s ALA 230 N -3.24 3.21 0.04 2.12 0.00 -0.26 -4.69 121.76 118.94 1dgq s ALA 230 Ca 0.06 0.76 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 1dgq s ALA 230 Cb 0.10 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 1dgq s ALA 230 CO 0.42 -0.17 1.85 2.41 0.00 0.00 0.00 175.76 180.28 1dgq n THR 231 N 0.44 0.49 -2.14 0.00 -1.04 0.52 -4.55 114.28 107.99 1dgq n THR 231 Ca 0.03 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 1dgq n THR 231 Cb 0.48 -2.02 -0.00 0.00 -1.82 0.00 0.00 70.33 66.97 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 6.15 2.99 -3.35 -2.82 4.76 -1.26 -0.48 118.16 124.14 1dgq n LYS 232 Ca 0.20 -2.92 -0.38 0.00 -2.87 0.00 0.00 58.31 52.33 1dgq n LYS 232 Cb 0.35 -3.39 -0.07 0.00 -1.84 0.00 0.00 35.03 30.07 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 3.83 5.17 -0.35 -0.18 1.01 0.25 -0.56 120.40 129.56 1dgq s VAL 233 Ca 0.51 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.28 1dgq s VAL 233 Cb 0.09 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.81 1dgq s VAL 233 CO -0.00 0.23 0.08 -0.22 0.00 0.00 0.00 175.10 175.18 1dgq s LEU 234 N 1.44 4.85 -0.51 3.92 2.96 0.39 -0.51 118.68 131.22 1dgq s LEU 234 Ca 0.20 -2.14 -0.19 0.00 -0.22 0.00 0.00 54.13 51.77 1dgq s LEU 234 Cb -0.15 -1.67 0.06 0.00 0.50 0.00 0.00 46.19 44.93 1dgq s LEU 234 CO 0.08 -0.41 0.65 -0.63 -1.32 0.00 0.00 176.35 174.73 1dgq s ILE 235 N 0.93 4.83 -0.29 6.68 1.01 0.42 -0.62 121.20 134.17 1dgq s ILE 235 Ca 0.11 -0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1dgq s ILE 235 Cb -0.20 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 1dgq s ILE 235 CO -0.07 -0.84 0.72 -0.63 0.00 0.00 0.00 174.94 174.12 1dgq s ILE 236 N 2.74 4.87 -0.33 2.92 1.01 0.40 -0.46 121.20 132.35 1dgq s ILE 236 Ca 0.16 1.11 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 1dgq s ILE 236 Cb -0.19 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.26 1dgq s ILE 236 CO 0.12 -0.16 0.08 -0.63 0.00 0.00 0.00 174.94 174.36 1dgq s ILE 237 N 2.77 3.54 -0.12 2.92 1.01 0.14 -0.53 121.20 130.93 1dgq s ILE 237 Ca 0.29 -1.24 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 1dgq s ILE 237 Cb -0.15 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1dgq s ILE 237 CO 0.11 -0.18 0.31 0.28 0.00 0.00 0.00 174.94 175.46 1dgq s THR 238 N 1.35 -0.01 -0.22 2.92 -1.32 -0.53 -0.30 115.64 117.54 1dgq s THR 238 Ca -0.02 0.02 0.20 0.00 -1.21 0.00 0.00 61.69 60.68 1dgq s THR 238 Cb -0.20 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1dgq s THR 238 CO 0.01 0.01 1.08 -2.24 -2.21 0.00 0.00 174.62 171.28 1dgq h ASP 239 N 5.91 0.00 -3.47 8.08 2.03 -1.81 0.85 116.42 128.00 1dgq h ASP 239 Ca -0.28 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.35 1dgq h ASP 239 Cb 1.19 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.53 1dgq h ASP 239 CO 0.32 0.23 -0.67 -0.83 -1.03 0.00 0.00 179.24 177.26 1dgq s GLY 240 N -4.49 1.81 0.66 7.15 0.00 -1.26 -3.55 107.32 107.64 1dgq s GLY 240 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.59 1dgq s GLY 240 CO 0.78 -0.81 0.95 1.18 0.00 0.00 0.00 173.10 175.19 1dgq n GLU 241 N 1.58 0.70 -2.40 2.90 4.71 -1.26 -4.86 120.64 122.01 1dgq n GLU 241 Ca -0.15 0.29 -0.37 0.00 -0.01 0.00 0.00 57.16 56.91 1dgq n GLU 241 Cb 0.53 -2.18 -0.02 0.00 -1.01 0.00 0.00 31.44 28.75 1dgq n GLU 241 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dgq s ALA 242 N -1.66 2.69 0.39 0.62 0.00 -1.26 -4.67 121.76 117.88 1dgq s ALA 242 Ca 0.75 -2.51 0.18 0.00 0.00 0.00 0.00 51.96 50.39 1dgq s ALA 242 Cb -0.38 -4.63 1.10 0.00 0.00 0.00 0.00 23.12 19.21 1dgq s ALA 242 CO 0.48 -3.99 1.76 1.79 0.00 0.00 0.00 175.76 175.81 1dgq h THR 243 N 6.05 0.51 0.00 0.00 1.35 -1.23 -1.97 112.91 117.62 1dgq h THR 243 Ca 0.32 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 66.03 1dgq h THR 243 Cb 0.92 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1dgq h THR 243 CO 1.37 0.07 -0.09 -0.78 -0.25 0.00 0.00 175.52 175.85 1dgq h ASP 244 N 0.39 0.00 -5.51 5.36 3.58 -1.88 -3.47 116.42 114.90 1dgq h ASP 244 Ca 0.61 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.64 1dgq h ASP 244 Cb 1.53 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.65 1dgq h ASP 244 CO -0.31 0.09 -0.67 -1.20 -2.88 0.00 0.00 179.24 174.27 1dgq n SER 245 N -4.00 -5.90 0.00 2.28 7.64 -0.74 -4.97 113.62 107.93 1dgq n SER 245 Ca -0.02 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1dgq n SER 245 Cb 0.18 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 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 -1.77 0.49 3.53 0.23 0.00 -1.26 -5.13 105.19 101.27 1dgq n GLY 246 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.08 114.94 111.50 1dgq s ASN 247 Ca 0.00 -1.08 0.05 0.00 -0.94 0.00 0.00 52.86 50.89 1dgq s ASN 247 Cb 0.00 0.58 0.09 0.00 -2.00 0.00 0.00 41.25 39.91 1dgq s ASN 247 CO 0.00 -1.14 0.97 2.30 -2.94 0.00 0.00 177.10 176.29 1dgq n ILE 248 N -0.40 0.00 -0.33 0.54 -5.35 -1.26 -4.56 119.36 108.00 1dgq n ILE 248 Ca -0.01 -0.20 0.06 0.00 -0.27 0.00 0.00 62.75 62.33 1dgq n ILE 248 Cb 0.62 0.53 0.25 0.00 -1.74 0.00 0.00 39.64 39.30 1dgq n ILE 248 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1dgq h ASP 249 N 0.20 0.91 -1.30 7.28 5.19 -1.98 0.98 116.42 127.70 1dgq h ASP 249 Ca -0.07 0.02 0.39 0.00 -0.62 0.00 0.00 57.03 56.75 1dgq h ASP 249 Cb 1.44 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 40.70 1dgq h ASP 249 CO 0.01 0.54 0.88 0.00 -3.12 0.00 0.00 179.24 177.55 1dgq h ALA 250 N 1.52 2.85 -0.49 3.45 0.00 -1.96 -0.48 119.26 124.14 1dgq h ALA 250 Ca 0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dgq h ALA 250 Cb 0.35 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dgq h ALA 250 CO -0.20 -1.34 0.00 0.00 0.00 0.00 0.00 179.25 177.71 1dgq n ALA 251 N -2.62 2.49 -0.34 0.00 0.00 0.33 -4.76 120.51 115.60 1dgq n ALA 251 Ca 0.32 -1.40 0.18 0.00 0.00 0.00 0.00 53.44 52.54 1dgq n ALA 251 Cb 1.32 -0.70 0.39 0.00 0.00 0.00 0.00 19.45 20.46 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 2.97 0.54 0.00 0.00 2.10 -0.98 1.00 116.57 122.20 1dgq h LYS 252 Ca 0.00 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.48 1dgq h LYS 252 Cb 1.02 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.20 1dgq h LYS 252 CO 0.07 0.36 -0.64 0.22 -2.00 0.00 0.00 179.45 177.46 1dgq h ASP 253 N 0.56 0.00 -3.97 7.07 3.58 -1.86 -3.46 116.42 118.34 1dgq h ASP 253 Ca 0.65 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.62 1dgq h ASP 253 Cb 1.24 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.30 1dgq h ASP 253 CO -0.49 0.64 0.40 -0.63 -2.88 0.00 0.00 179.24 176.29 1dgq s ILE 254 N -3.19 3.78 -0.91 2.25 1.01 0.34 -4.95 121.20 119.53 1dgq s ILE 254 Ca 0.01 1.33 -0.24 0.00 0.00 0.00 0.00 60.65 61.75 1dgq s ILE 254 Cb 0.10 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.96 1dgq s ILE 254 CO 0.76 -0.02 1.33 -0.63 0.00 0.00 0.00 174.94 176.38 1dgq s ILE 255 N -1.71 3.99 -0.91 2.92 -1.09 0.27 -4.83 121.20 119.84 1dgq s ILE 255 Ca 0.58 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 58.25 1dgq s ILE 255 Cb -0.21 -4.96 -0.00 0.00 -1.58 0.00 0.00 42.46 35.71 1dgq s ILE 255 CO 0.26 -1.83 1.71 -0.13 -1.23 0.00 0.00 174.94 173.71 1dgq s ARG 256 N 4.85 3.00 0.14 2.79 3.00 -1.26 -0.47 118.95 131.01 1dgq s ARG 256 Ca 0.40 -0.53 -0.27 0.00 0.00 0.00 0.00 55.73 55.33 1dgq s ARG 256 Cb -0.04 -5.07 -0.07 0.00 0.00 0.00 0.00 34.95 29.77 1dgq s ARG 256 CO -0.02 -2.80 0.82 -0.47 0.00 0.00 0.00 175.30 172.84 1dgq s TYR 257 N 7.76 3.86 -0.01 -0.53 6.14 0.21 -1.21 117.35 133.58 1dgq s TYR 257 Ca 0.58 1.66 0.01 0.00 0.64 0.00 0.00 57.07 59.96 1dgq s TYR 257 Cb -0.05 -2.85 0.01 0.00 0.42 0.00 0.00 41.96 39.49 1dgq s TYR 257 CO -0.02 0.40 -0.04 -1.50 0.64 0.00 0.00 175.55 175.04 1dgq s ILE 258 N -0.69 0.34 -0.34 3.14 2.07 0.24 -0.45 121.20 125.50 1dgq s ILE 258 Ca 0.39 -0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.43 1dgq s ILE 258 Cb -0.23 -0.33 0.03 0.00 0.13 0.00 0.00 42.46 42.06 1dgq s ILE 258 CO 0.27 0.13 0.13 -0.63 -1.91 0.00 0.00 174.94 172.92 1dgq s ILE 259 N 0.26 4.00 -0.53 2.00 1.09 0.31 -0.62 121.20 127.72 1dgq s ILE 259 Ca -0.03 -1.01 -0.22 0.00 -1.10 0.00 0.00 60.65 58.29 1dgq s ILE 259 Cb -0.06 -3.23 0.05 0.00 -1.06 0.00 0.00 42.46 38.16 1dgq s ILE 259 CO -0.00 -0.16 0.80 -0.83 -0.10 0.00 0.00 174.94 174.65 1dgq s GLY 260 N 1.45 1.57 0.12 6.18 0.00 0.39 -1.45 107.32 115.59 1dgq s GLY 260 Ca -0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 44.72 42.98 1dgq s GLY 260 CO 0.04 1.80 1.43 -0.42 0.00 0.00 0.00 173.10 175.94 1dgq s ILE 261 N 3.37 3.17 0.00 0.90 -1.09 0.29 -0.32 121.20 127.52 1dgq s ILE 261 Ca 0.24 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1dgq s ILE 261 Cb -0.15 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1dgq s ILE 261 CO 0.16 0.06 1.03 0.61 -1.23 0.00 0.00 174.94 175.58 1dgq n GLY 262 N 3.56 1.78 0.11 6.18 0.00 0.47 -3.50 105.19 113.79 1dgq n GLY 262 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1dgq n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dgq h LYS 263 N 0.62 0.20 0.00 1.61 1.79 -1.81 -3.35 116.57 115.63 1dgq h LYS 263 Ca 0.00 -0.35 -0.02 0.00 -2.18 0.00 0.00 60.65 58.11 1dgq h LYS 263 Cb 0.83 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1dgq h LYS 263 CO 0.00 1.05 -1.06 0.72 -1.08 0.00 0.00 179.45 179.08 1dgq n HIS 264 N -3.41 0.00 0.49 -1.35 8.25 -1.23 -4.77 115.22 113.21 1dgq n HIS 264 Ca -0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.33 1dgq n HIS 264 Cb 1.03 -0.04 0.15 0.00 1.12 0.00 0.00 29.99 32.25 1dgq n HIS 264 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1dgq n PHE 265 N -2.60 0.00 0.28 4.41 3.72 -1.23 -1.46 117.46 120.57 1dgq n PHE 265 Ca -0.02 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.55 1dgq n PHE 265 Cb 0.52 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.73 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 0.00 0.00 -6.28 -1.08 -0.00 -1.84 -3.36 115.11 102.56 1dgq h GLN 266 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 58.08 1dgq h GLN 266 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 1dgq h GLN 266 CO 0.00 0.00 1.26 0.95 -0.00 0.00 0.00 178.83 181.04 1dgq s THR 267 N -3.66 3.51 0.27 1.86 -4.23 -0.54 -4.87 115.64 107.99 1dgq s THR 267 Ca 0.01 0.51 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1dgq s THR 267 Cb 0.09 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1dgq s THR 267 CO 0.55 -0.48 1.70 0.50 -0.54 0.00 0.00 174.62 176.35 1dgq h LYS 268 N 12.80 0.39 -0.82 3.99 1.63 -1.90 0.27 116.57 132.93 1dgq h LYS 268 Ca -0.32 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.58 1dgq h LYS 268 Cb 1.16 -0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.61 1dgq h LYS 268 CO 1.05 0.26 0.42 1.05 -3.45 0.00 0.00 179.45 178.78 1dgq h GLU 269 N 0.41 0.61 -0.17 1.90 9.09 -1.93 0.45 114.58 124.94 1dgq h GLU 269 Ca 0.51 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.78 1dgq h GLU 269 Cb 0.90 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 1dgq h GLU 269 CO -0.50 0.41 -0.29 0.77 0.05 0.00 0.00 179.01 179.45 1dgq h SER 270 N 0.63 0.55 -0.75 3.06 0.02 -0.93 -3.20 113.55 112.94 1dgq h SER 270 Ca 0.43 -0.54 0.16 0.00 -0.84 0.00 0.00 61.79 61.01 1dgq h SER 270 Cb 0.57 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 62.81 1dgq h SER 270 CO -0.34 0.99 -0.07 -0.61 -1.14 0.00 0.00 176.83 175.66 1dgq h GLN 271 N 0.14 0.06 -0.97 3.45 4.15 0.29 0.15 115.11 122.37 1dgq h GLN 271 Ca 0.01 -0.00 0.24 0.00 0.77 0.00 0.00 58.65 59.67 1dgq h GLN 271 Cb 0.88 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.49 1dgq h GLN 271 CO 0.07 0.04 0.65 0.93 -1.93 0.00 0.00 178.83 178.58 1dgq h GLU 272 N 0.06 0.33 -0.36 1.69 4.39 -0.95 0.05 114.58 119.79 1dgq h GLU 272 Ca 0.39 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.00 1dgq h GLU 272 Cb 0.67 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1dgq h GLU 272 CO -0.71 0.22 -0.08 1.79 -1.16 0.00 0.00 179.01 179.07 1dgq h THR 273 N 0.34 1.23 -0.52 1.13 1.35 -0.80 -1.55 112.91 114.09 1dgq h THR 273 Ca 0.52 -1.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.45 1dgq h THR 273 Cb 1.42 1.05 -0.06 0.00 -1.73 0.00 0.00 68.15 68.82 1dgq h THR 273 CO -0.19 0.34 0.16 -0.07 -0.25 0.00 0.00 175.52 175.51 1dgq h LEU 274 N 0.56 0.14 -0.69 3.87 3.38 -0.98 -0.48 115.31 121.11 1dgq h LEU 274 Ca 0.11 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1dgq h LEU 274 Cb 0.47 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1dgq h LEU 274 CO 0.03 0.10 0.40 0.45 0.09 0.00 0.00 178.44 179.51 1dgq h HIS 275 N 0.33 0.74 -0.04 1.13 3.86 -1.21 0.16 115.15 120.12 1dgq h HIS 275 Ca 0.25 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1dgq h HIS 275 Cb 0.30 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1dgq h HIS 275 CO -0.18 0.38 0.02 0.87 0.86 0.00 0.00 177.93 179.88 1dgq h LYS 276 N 0.75 0.05 -0.44 2.45 1.57 -0.82 -3.18 116.57 116.96 1dgq h LYS 276 Ca 0.30 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1dgq h LYS 276 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1dgq h LYS 276 CO -0.16 0.12 0.24 0.74 -0.57 0.00 0.00 179.45 179.82 1dgq h PHE 277 N -0.02 0.61 -3.72 -1.35 0.04 -0.43 -3.45 116.94 108.61 1dgq h PHE 277 Ca 0.01 -0.02 -0.46 0.00 2.80 0.00 0.00 57.97 60.31 1dgq h PHE 277 Cb 0.08 -0.19 0.18 0.00 2.20 0.00 0.00 35.95 38.22 1dgq h PHE 277 CO -0.05 0.46 0.14 0.00 -0.60 0.00 0.00 178.31 178.26 1dgq s ALA 278 N -5.85 0.56 0.69 2.45 0.00 0.51 -4.79 121.76 115.32 1dgq s ALA 278 Ca -0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 1dgq s ALA 278 Cb 0.11 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1dgq s ALA 278 CO 0.74 -3.13 1.06 -1.12 0.00 0.00 0.00 175.76 173.32 1dgq s SER 279 N -2.98 5.58 0.07 0.00 0.01 -0.35 -4.87 113.70 111.17 1dgq s SER 279 Ca 0.66 1.37 0.02 0.00 1.31 0.00 0.00 55.95 59.31 1dgq s SER 279 Cb -0.21 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1dgq s SER 279 CO 0.60 -1.28 0.11 -0.54 0.41 0.00 0.00 173.24 172.54 1dgq s LYS 280 N -5.20 3.01 0.08 12.44 -0.14 -1.26 -3.58 119.74 125.10 1dgq s LYS 280 Ca 0.57 -0.63 -0.31 0.00 -1.36 0.00 0.00 55.97 54.24 1dgq s LYS 280 Cb -0.12 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 1dgq s LYS 280 CO 0.54 0.58 1.35 -2.14 -0.76 0.00 0.00 175.35 174.92 1dgq s PRO 281 N -2.40 4.34 0.47 -1.68 0.02 -1.26 -4.99 135.00 129.49 1dgq s PRO 281 Ca 0.30 1.99 0.21 0.00 0.02 0.00 0.00 61.00 63.53 1dgq s PRO 281 Cb -0.12 -3.32 1.22 0.00 0.02 0.00 0.00 34.50 32.29 1dgq s PRO 281 CO 0.23 -0.42 1.90 0.00 -0.33 0.00 0.00 177.00 178.38 1dgq h ALA 282 N 6.98 2.37 -0.51 -1.55 0.00 -1.88 0.60 119.26 125.27 1dgq h ALA 282 Ca -0.41 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1dgq h ALA 282 Cb 1.21 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1dgq h ALA 282 CO 0.86 -0.61 0.34 0.77 0.00 0.00 0.00 179.25 180.62 1dgq h SER 283 N 0.25 0.36 0.14 0.00 0.02 -1.88 0.21 113.55 112.65 1dgq h SER 283 Ca 0.40 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.16 1dgq h SER 283 Cb 1.18 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.67 1dgq h SER 283 CO -0.10 0.23 -0.85 -0.33 -1.14 0.00 0.00 176.83 174.65 1dgq h GLU 284 N 0.41 0.30 0.00 3.45 5.08 -1.24 -3.39 114.58 119.20 1dgq h GLU 284 Ca 0.23 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 57.91 1dgq h GLU 284 Cb 0.36 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1dgq h GLU 284 CO -0.06 1.25 -1.15 0.74 -1.00 0.00 0.00 179.01 178.79 1dgq h PHE 285 N -0.36 0.00 -3.42 4.33 0.04 -1.26 -3.45 116.94 112.82 1dgq h PHE 285 Ca -0.15 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.02 1dgq h PHE 285 Cb 1.66 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.70 1dgq h PHE 285 CO 0.19 0.62 -0.27 0.08 -0.60 0.00 0.00 178.31 178.33 1dgq s VAL 286 N -2.89 5.25 -0.15 -0.55 1.01 0.68 -0.59 120.40 123.16 1dgq s VAL 286 Ca -0.01 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1dgq s VAL 286 Cb 0.08 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1dgq s VAL 286 CO 0.79 0.31 -0.18 -0.54 0.00 0.00 0.00 175.10 175.49 1dgq s LYS 287 N 0.95 2.67 -0.98 2.72 -0.14 0.21 -4.80 119.74 120.38 1dgq s LYS 287 Ca 0.17 -0.71 -0.19 0.00 -1.36 0.00 0.00 55.97 53.88 1dgq s LYS 287 Cb -0.14 -2.30 0.12 0.00 -1.68 0.00 0.00 37.83 33.83 1dgq s LYS 287 CO 0.06 -0.16 1.22 0.42 -0.76 0.00 0.00 175.35 176.13 1dgq s ILE 288 N 1.22 4.60 -1.00 2.17 -1.09 -1.26 -0.46 121.20 125.38 1dgq s ILE 288 Ca 0.01 -1.53 -0.22 0.00 -2.23 0.00 0.00 60.65 56.68 1dgq s ILE 288 Cb -0.14 -4.85 0.07 0.00 -1.58 0.00 0.00 42.46 35.96 1dgq s ILE 288 CO -0.09 -1.60 1.38 -0.76 -1.23 0.00 0.00 174.94 172.64 1dgq s LEU 289 N 3.03 3.81 0.38 2.97 2.01 0.57 -4.77 118.68 126.67 1dgq s LEU 289 Ca 0.36 -1.56 0.20 0.00 0.01 0.00 0.00 54.13 53.14 1dgq s LEU 289 Cb -0.04 -2.54 1.22 0.00 0.01 0.00 0.00 46.19 44.84 1dgq s LEU 289 CO -0.08 -1.42 1.65 -2.24 1.01 0.00 0.00 176.35 175.27 1dgq h ASP 290 N 9.61 0.41 -5.05 2.29 3.04 -1.90 0.14 116.42 124.96 1dgq h ASP 290 Ca 0.19 0.17 -0.14 0.00 -3.24 0.00 0.00 57.03 54.01 1dgq h ASP 290 Cb 1.01 0.14 -0.19 0.00 -1.04 0.00 0.00 39.33 39.25 1dgq h ASP 290 CO 1.36 -0.16 -0.58 0.42 -2.04 0.00 0.00 179.24 178.24 1dgq s THR 291 N -5.53 0.12 0.48 1.15 -4.23 -1.26 -3.95 115.64 102.43 1dgq s THR 291 Ca -0.09 -1.01 0.25 0.00 -1.18 0.00 0.00 61.69 59.66 1dgq s THR 291 Cb 0.30 -0.66 0.44 0.00 1.34 0.00 0.00 72.50 73.91 1dgq s THR 291 CO 0.80 -0.56 1.87 -0.26 -0.54 0.00 0.00 174.62 175.93 1dgq h PHE 292 N 4.03 0.25 -0.96 3.99 0.04 -1.97 0.44 116.94 122.77 1dgq h PHE 292 Ca -0.32 0.01 0.21 0.00 2.80 0.00 0.00 57.97 60.67 1dgq h PHE 292 Cb 1.19 -0.08 -0.12 0.00 2.20 0.00 0.00 35.95 39.15 1dgq h PHE 292 CO 0.59 0.06 0.53 1.49 -0.60 0.00 0.00 178.31 180.37 1dgq h GLU 293 N 0.18 0.58 0.00 1.51 4.57 -1.95 -0.22 114.58 119.25 1dgq h GLU 293 Ca 0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1dgq h GLU 293 Cb 1.49 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1dgq h GLU 293 CO -0.09 0.38 0.00 1.63 -1.18 0.00 0.00 179.01 179.75 1dgq n LYS 294 N -4.89 0.76 0.18 1.92 4.76 0.15 -3.17 118.16 117.86 1dgq n LYS 294 Ca 0.23 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.85 1dgq n LYS 294 Cb 0.63 -1.38 0.80 0.00 -1.84 0.00 0.00 35.03 33.24 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 0.00 -0.60 -0.35 3.38 -1.15 0.37 115.31 116.96 1dgq h LEU 295 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1dgq h LEU 295 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1dgq h LEU 295 CO 0.00 0.00 0.40 0.11 0.09 0.00 0.00 178.44 179.04 1dgq h LYS 296 N 0.00 0.80 -0.34 1.13 1.79 -1.78 0.33 116.57 118.50 1dgq h LYS 296 Ca 0.11 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1dgq h LYS 296 Cb 0.58 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1dgq h LYS 296 CO -0.00 0.53 0.06 0.22 -1.08 0.00 0.00 179.45 179.18 1dgq h ASP 297 N 0.82 0.54 -0.19 0.86 3.58 -0.61 -1.14 116.42 120.28 1dgq h ASP 297 Ca 0.22 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.47 1dgq h ASP 297 Cb -0.09 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 40.75 1dgq h ASP 297 CO -0.05 0.66 -0.32 0.25 -2.88 0.00 0.00 179.24 176.90 1dgq h LEU 298 N 0.39 -1.00 -0.37 2.28 5.85 -0.80 0.21 115.31 121.88 1dgq h LEU 298 Ca 0.10 0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.05 1dgq h LEU 298 Cb 0.35 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1dgq h LEU 298 CO 0.01 -0.34 -0.30 0.15 -0.34 0.00 0.00 178.44 177.61 1dgq h PHE 299 N -0.36 -0.83 -0.63 1.25 3.57 -0.80 0.11 116.94 119.26 1dgq h PHE 299 Ca 0.11 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1dgq h PHE 299 Cb 0.54 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 1dgq h PHE 299 CO -0.43 -0.37 0.33 1.15 -2.23 0.00 0.00 178.31 176.76 1dgq h THR 300 N -0.25 0.94 -0.17 4.41 2.02 -0.32 0.72 112.91 120.26 1dgq h THR 300 Ca 0.17 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1dgq h THR 300 Cb 0.52 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1dgq h THR 300 CO -0.51 0.11 0.08 -0.08 0.37 0.00 0.00 175.52 175.49 1dgq h GLU 301 N 0.61 0.24 -0.10 6.66 4.57 0.18 0.12 114.58 126.86 1dgq h GLU 301 Ca 0.28 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1dgq h GLU 301 Cb 0.20 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1dgq h GLU 301 CO -0.19 0.29 0.06 -0.07 -1.18 0.00 0.00 179.01 177.92 1dgq h LEU 302 N 0.14 0.13 -0.46 1.64 3.38 -0.40 -2.43 115.31 117.31 1dgq h LEU 302 Ca 0.06 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1dgq h LEU 302 Cb 0.13 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1dgq h LEU 302 CO -0.01 0.16 0.12 1.56 0.09 0.00 0.00 178.44 180.37 1dgq h GLN 303 N 0.08 0.26 -0.50 1.13 1.08 -0.68 0.12 115.11 116.61 1dgq h GLN 303 Ca 0.04 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1dgq h GLN 303 Cb 0.06 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.36 1dgq h GLN 303 CO -0.01 0.17 0.05 -0.22 -0.95 0.00 0.00 178.83 177.87 1dgq h LYS 304 N 0.27 0.16 0.21 1.46 1.63 -0.52 0.16 116.57 119.94 1dgq h LYS 304 Ca 0.22 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1dgq h LYS 304 Cb 0.26 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1dgq h LYS 304 CO -0.26 0.11 -0.10 0.87 -3.45 0.00 0.00 179.45 176.61 1dgq h LYS 305 N 0.17 -0.27 -0.97 1.90 1.57 -0.91 -3.27 116.57 114.78 1dgq h LYS 305 Ca 0.25 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.20 1dgq h LYS 305 Cb 0.37 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 1dgq h LYS 305 CO -0.38 0.11 0.59 0.82 -0.57 0.00 0.00 179.45 180.02 1dgq h ILE 306 N -0.75 0.81 -1.04 1.86 2.04 -0.53 0.52 117.51 120.42 1dgq h ILE 306 Ca -0.03 -0.29 0.27 0.00 1.00 0.00 0.00 64.86 65.81 1dgq h ILE 306 Cb 0.50 -0.11 -0.10 0.00 -0.74 0.00 0.00 36.82 36.38 1dgq h ILE 306 CO 0.05 0.15 0.67 0.22 0.00 0.00 0.00 178.15 179.24 1dgq h TYR 307 N 0.85 0.69 -0.71 1.37 5.03 -0.74 0.20 116.97 123.66 1dgq h TYR 307 Ca 0.52 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.81 1dgq h TYR 307 Cb 0.66 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 1dgq h TYR 307 CO -0.02 0.06 0.30 0.28 -1.32 0.00 0.00 178.16 177.45 1dgq h VAL 308 N 0.40 1.24 0.02 1.81 2.07 -0.98 0.38 116.25 121.19 1dgq h VAL 308 Ca 0.60 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1dgq h VAL 308 Cb 1.50 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1dgq h VAL 308 CO -0.31 0.30 -0.01 0.40 0.02 0.00 0.00 177.57 177.97 1dgq h ILE 309 N 1.02 1.37 -0.71 4.57 1.08 -0.73 -3.04 117.51 121.07 1dgq h ILE 309 Ca 0.24 -1.21 0.07 0.00 -0.39 0.00 0.00 64.86 63.58 1dgq h ILE 309 Cb 0.17 2.18 -0.05 0.00 -3.07 0.00 0.00 36.82 36.06 1dgq h ILE 309 CO -0.02 0.31 0.47 -0.33 -0.69 0.00 0.00 178.15 177.89 1dgq h GLU 310 N -0.55 0.67 0.00 2.37 5.08 -0.99 -3.43 114.58 117.74 1dgq h GLU 310 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1dgq h GLU 310 Cb 0.52 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1dgq h GLU 310 CO 0.00 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.87