#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 2.79 -0.78 3.17 0.00 0.68 -4.83 120.51 121.54 1dgq n ALA 125 Ca 0.00 -3.19 -0.18 0.00 0.00 0.00 0.00 53.44 50.07 1dgq n ALA 125 Cb 0.00 -3.63 -0.06 0.00 0.00 0.00 0.00 19.45 15.76 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 8.66 4.80 -0.18 0.00 7.64 -1.09 -4.37 113.62 129.07 1dgq n SER 126 Ca 0.49 -2.28 -0.10 0.00 1.01 0.00 0.00 58.87 57.99 1dgq n SER 126 Cb 0.41 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 62.53 1dgq n SER 126 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1dgq h LYS 127 N 5.12 0.96 -3.34 1.43 3.11 -1.81 -2.89 116.57 119.16 1dgq h LYS 127 Ca 0.38 -0.32 -0.54 0.00 -2.81 0.00 0.00 60.65 57.36 1dgq h LYS 127 Cb 0.55 -0.08 0.02 0.00 -1.00 0.00 0.00 32.23 31.72 1dgq h LYS 127 CO 0.99 0.99 3.16 0.41 -2.81 0.00 0.00 179.45 182.20 1dgq n GLY 128 N -0.35 3.65 3.78 5.01 0.00 -1.20 -4.91 105.19 111.17 1dgq n GLY 128 Ca 0.01 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1dgq n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgq s ASN 129 N 2.95 5.74 -0.03 1.61 6.03 -1.09 -4.15 114.94 126.01 1dgq s ASN 129 Ca 0.54 2.13 -0.04 0.00 -1.03 0.00 0.00 52.86 54.46 1dgq s ASN 129 Cb 0.14 -2.58 0.01 0.00 -3.03 0.00 0.00 41.25 35.79 1dgq s ASN 129 CO -0.04 -1.20 0.10 -0.69 -2.03 0.00 0.00 177.10 173.24 1dgq s VAL 130 N -1.85 0.03 -0.52 3.54 1.01 0.18 -0.81 120.40 121.99 1dgq s VAL 130 Ca 0.72 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1dgq s VAL 130 Cb -0.23 -0.22 0.13 0.00 0.00 0.00 0.00 36.38 36.06 1dgq s VAL 130 CO 0.27 -0.13 0.33 -1.81 0.00 0.00 0.00 175.10 173.77 1dgq s ASP 131 N -0.38 5.30 -0.44 3.32 1.01 0.38 -0.68 116.67 125.19 1dgq s ASP 131 Ca -0.05 -2.40 -0.17 0.00 0.71 0.00 0.00 52.55 50.64 1dgq s ASP 131 Cb -0.03 -1.86 0.03 0.00 1.01 0.00 0.00 42.92 42.07 1dgq s ASP 131 CO 0.00 -0.48 0.46 -0.22 0.21 0.00 0.00 175.17 175.14 1dgq s LEU 132 N 0.61 4.95 -0.35 1.23 0.20 0.71 -1.08 118.68 124.96 1dgq s LEU 132 Ca 0.12 -0.77 -0.19 0.00 0.69 0.00 0.00 54.13 53.99 1dgq s LEU 132 Cb -0.22 -2.38 -0.00 0.00 -0.43 0.00 0.00 46.19 43.16 1dgq s LEU 132 CO -0.04 -0.63 0.54 -0.69 -0.29 0.00 0.00 176.35 175.25 1dgq s VAL 133 N 2.16 4.99 -0.69 1.68 1.01 0.36 -0.82 120.40 129.08 1dgq s VAL 133 Ca 0.12 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1dgq s VAL 133 Cb -0.18 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1dgq s VAL 133 CO 0.13 -0.22 1.13 -0.36 0.00 0.00 0.00 175.10 175.78 1dgq s PHE 134 N 2.46 2.48 -1.00 5.22 0.08 0.23 -0.45 117.98 127.01 1dgq s PHE 134 Ca 0.20 -0.21 -0.18 0.00 0.12 0.00 0.00 56.93 56.86 1dgq s PHE 134 Cb -0.15 -4.46 0.13 0.00 -0.57 0.00 0.00 43.02 37.97 1dgq s PHE 134 CO 0.13 -1.84 1.22 -1.17 -0.10 0.00 0.00 175.22 173.46 1dgq s LEU 135 N 4.95 4.92 -0.17 -0.37 2.96 0.38 -0.55 118.68 130.79 1dgq s LEU 135 Ca 0.30 -2.20 -0.07 0.00 -0.22 0.00 0.00 54.13 51.94 1dgq s LEU 135 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1dgq s LEU 135 CO 0.14 -1.03 0.06 0.72 -1.32 0.00 0.00 176.35 174.92 1dgq s PHE 136 N 2.65 3.27 0.13 5.38 -0.71 -0.01 -0.73 117.98 127.95 1dgq s PHE 136 Ca 0.36 0.11 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 1dgq s PHE 136 Cb -0.04 -2.06 -0.06 0.00 -1.21 0.00 0.00 43.02 39.65 1dgq s PHE 136 CO -0.07 0.21 1.09 0.34 -1.34 0.00 0.00 175.22 175.45 1dgq s ASP 137 N 0.22 7.27 -0.36 1.98 2.15 0.51 -0.81 116.67 127.64 1dgq s ASP 137 Ca 0.04 1.99 0.13 0.00 0.43 0.00 0.00 52.55 55.14 1dgq s ASP 137 Cb -0.12 -2.59 0.45 0.00 -0.30 0.00 0.00 42.92 40.36 1dgq s ASP 137 CO 0.00 -0.26 1.05 0.61 -0.17 0.00 0.00 175.17 176.40 1dgq n GLY 138 N 2.41 3.69 3.77 2.66 0.00 0.65 -4.87 105.19 113.49 1dgq n GLY 138 Ca 0.04 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.40 4.04 0.52 1.61 1.04 -1.26 -0.39 113.70 115.86 1dgq s SER 139 Ca 0.37 1.38 0.31 0.00 0.48 0.00 0.00 55.95 58.49 1dgq s SER 139 Cb 0.42 -2.09 1.45 0.00 0.10 0.00 0.00 66.02 65.90 1dgq s SER 139 CO -0.05 -2.27 1.84 -0.03 0.98 0.00 0.00 173.24 173.71 1dgq h MET 140 N -1.29 0.07 -0.99 4.02 4.05 -1.01 0.85 114.93 120.61 1dgq h MET 140 Ca -0.48 -0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.11 1dgq h MET 140 Cb 1.28 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.97 1dgq h MET 140 CO 0.57 0.04 0.62 0.77 0.23 0.00 0.00 176.91 179.14 1dgq h SER 141 N 0.07 0.79 -2.88 1.39 0.02 -1.92 -3.40 113.55 107.62 1dgq h SER 141 Ca 0.51 0.08 -0.56 0.00 -0.84 0.00 0.00 61.79 60.97 1dgq h SER 141 Cb 1.89 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.32 1dgq h SER 141 CO -0.05 0.33 0.91 -0.76 -1.14 0.00 0.00 176.83 176.12 1dgq s LEU 142 N -10.17 4.21 0.30 5.07 2.01 0.29 -5.03 118.68 115.37 1dgq s LEU 142 Ca -0.11 1.79 -0.08 0.00 0.01 0.00 0.00 54.13 55.74 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 -0.77 0.61 -1.10 1.01 0.00 0.00 176.35 176.90 1dgq s GLN 143 N 3.45 3.73 0.21 1.70 -1.52 -1.26 -4.86 119.66 121.10 1dgq s GLN 143 Ca 0.58 0.21 -0.18 0.00 -1.95 0.00 0.00 55.36 54.02 1dgq s GLN 143 Cb -0.24 -2.58 0.20 0.00 -0.22 0.00 0.00 33.01 30.17 1dgq s GLN 143 CO 0.18 0.18 1.58 -1.35 -0.25 0.00 0.00 175.29 175.62 1dgq h PRO 144 N 1.83 -0.08 -0.97 2.91 0.11 -1.97 0.97 132.00 134.80 1dgq h PRO 144 Ca -0.47 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1dgq h PRO 144 Cb 1.18 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1dgq h PRO 144 CO 0.66 -0.06 0.62 0.38 -0.21 0.00 0.00 178.00 179.40 1dgq h ASP 145 N -0.09 0.97 -0.12 -2.05 2.03 -1.99 0.18 116.42 115.36 1dgq h ASP 145 Ca 0.29 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.56 1dgq h ASP 145 Cb 0.57 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1dgq h ASP 145 CO -0.80 0.60 -0.11 -0.33 -1.03 0.00 0.00 179.24 177.57 1dgq h GLU 146 N 1.09 0.28 -0.66 4.15 4.39 -1.28 -2.53 114.58 120.01 1dgq h GLU 146 Ca 0.43 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 60.02 1dgq h GLU 146 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1dgq h GLU 146 CO -0.18 0.68 0.41 0.35 -1.16 0.00 0.00 179.01 179.11 1dgq h PHE 147 N -0.11 0.76 -0.96 4.33 3.57 -0.47 -0.37 116.94 123.69 1dgq h PHE 147 Ca 0.02 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1dgq h PHE 147 Cb 0.62 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 1dgq h PHE 147 CO 0.08 0.42 0.59 1.96 -2.23 0.00 0.00 178.31 179.13 1dgq h GLN 148 N 0.79 0.91 -0.53 1.11 1.08 -0.59 0.11 115.11 117.99 1dgq h GLN 148 Ca 0.27 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.30 1dgq h GLN 148 Cb 0.05 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 1dgq h GLN 148 CO -0.12 0.60 -0.11 0.87 -0.95 0.00 0.00 178.83 179.12 1dgq h LYS 149 N 0.94 0.99 -0.39 1.46 1.57 -0.69 0.21 116.57 120.66 1dgq h LYS 149 Ca 0.47 -0.36 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1dgq h LYS 149 Cb 0.46 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 1dgq h LYS 149 CO -0.26 1.04 0.05 0.82 -0.57 0.00 0.00 179.45 180.52 1dgq h ILE 150 N 0.88 0.76 -0.11 1.86 1.08 0.14 0.20 117.51 122.32 1dgq h ILE 150 Ca 0.14 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.56 1dgq h ILE 150 Cb 0.67 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1dgq h ILE 150 CO 0.05 0.03 0.03 -0.07 -0.69 0.00 0.00 178.15 177.50 1dgq h LEU 151 N 0.16 0.02 -0.60 1.44 3.38 -0.50 -2.83 115.31 116.39 1dgq h LEU 151 Ca 0.19 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1dgq h LEU 151 Cb 0.25 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1dgq h LEU 151 CO -0.28 0.03 0.22 -0.78 0.09 0.00 0.00 178.44 177.72 1dgq h ASP 152 N 0.08 0.21 0.17 -0.43 3.58 -0.01 0.88 116.42 120.91 1dgq h ASP 152 Ca 0.05 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.59 1dgq h ASP 152 Cb 0.03 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 1dgq h ASP 152 CO -0.06 0.13 -0.39 0.15 -2.88 0.00 0.00 179.24 176.19 1dgq h PHE 153 N 0.40 -1.08 -0.01 0.28 3.04 -0.84 0.27 116.94 119.00 1dgq h PHE 153 Ca 0.30 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.29 1dgq h PHE 153 Cb 0.37 0.45 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 1dgq h PHE 153 CO -0.17 -0.50 -0.10 0.52 -2.02 0.00 0.00 178.31 176.04 1dgq h MET 154 N -0.66 -0.16 -0.68 1.11 2.86 -1.14 -1.86 114.93 114.40 1dgq h MET 154 Ca 0.01 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.81 1dgq h MET 154 Cb 0.66 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.25 1dgq h MET 154 CO -0.19 -0.11 0.06 -0.22 1.06 0.00 0.00 176.91 177.51 1dgq h LYS 155 N -0.17 0.16 0.53 1.72 3.64 -0.63 -0.29 116.57 121.52 1dgq h LYS 155 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1dgq h LYS 155 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1dgq h LYS 155 CO -0.11 0.10 -0.34 -0.44 -2.27 0.00 0.00 179.45 176.39 1dgq h ASP 156 N 0.16 -0.85 -0.38 4.20 3.32 0.26 0.98 116.42 124.10 1dgq h ASP 156 Ca 0.37 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.54 1dgq h ASP 156 Cb 0.62 0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 1dgq h ASP 156 CO -0.55 -0.52 -0.05 0.58 -1.72 0.00 0.00 179.24 176.98 1dgq h VAL 157 N -0.83 0.66 -0.67 -1.35 2.07 -0.70 -0.19 116.25 115.24 1dgq h VAL 157 Ca -0.06 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1dgq h VAL 157 Cb 0.68 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1dgq h VAL 157 CO 0.05 0.01 0.43 0.24 0.02 0.00 0.00 177.57 178.33 1dgq h MET 158 N 0.05 0.90 0.15 1.57 2.86 -0.83 0.80 114.93 120.43 1dgq h MET 158 Ca 0.19 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1dgq h MET 158 Cb 0.28 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1dgq h MET 158 CO -0.36 0.61 -0.08 0.87 1.06 0.00 0.00 176.91 179.01 1dgq h LYS 159 N 0.91 -0.21 -0.52 1.72 1.79 0.06 -1.53 116.57 118.79 1dgq h LYS 159 Ca 0.24 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1dgq h LYS 159 Cb -0.08 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1dgq h LYS 159 CO -0.05 -0.14 0.14 0.87 -1.08 0.00 0.00 179.45 179.19 1dgq h LYS 160 N -0.22 0.82 -1.19 3.15 6.56 -0.76 -3.09 116.57 121.84 1dgq h LYS 160 Ca -0.02 -0.19 -0.67 0.00 -1.06 0.00 0.00 60.65 58.71 1dgq h LYS 160 Cb 0.18 -0.11 -0.32 0.00 -0.57 0.00 0.00 32.23 31.41 1dgq h LYS 160 CO 0.02 0.78 0.49 1.28 -2.06 0.00 0.00 179.45 179.96 1dgq n LEU 161 N -4.45 6.96 -3.45 2.94 4.77 0.25 -4.91 117.00 119.11 1dgq n LEU 161 Ca 0.02 -4.55 -0.35 0.00 -0.03 0.00 0.00 56.01 51.10 1dgq n LEU 161 Cb 0.22 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1dgq n LEU 161 CO 0.40 1.70 2.36 -1.54 -1.33 0.00 0.00 177.39 178.97 1dgq n SER 162 N -0.78 3.98 -3.58 -1.43 3.41 -0.58 -4.61 113.62 110.04 1dgq n SER 162 Ca 0.56 -2.56 -0.15 0.00 -0.26 0.00 0.00 58.87 56.47 1dgq n SER 162 Cb 0.63 -1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.33 1dgq n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1dgq s ASN 163 N 4.01 -0.46 0.49 4.04 2.47 -1.26 -5.04 114.94 119.19 1dgq s ASN 163 Ca 0.50 0.29 0.18 0.00 0.42 0.00 0.00 52.86 54.25 1dgq s ASN 163 Cb 0.13 0.48 1.01 0.00 -1.45 0.00 0.00 41.25 41.42 1dgq s ASN 163 CO 0.03 -0.66 1.51 0.74 -3.72 0.00 0.00 177.10 174.99 1dgq h THR 164 N 2.96 0.00 -0.62 -5.21 2.02 -1.97 -0.11 112.91 109.98 1dgq h THR 164 Ca -0.30 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.96 1dgq h THR 164 Cb 1.19 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 1dgq h THR 164 CO 0.41 0.00 0.27 0.77 0.37 0.00 0.00 175.52 177.34 1dgq h SER 165 N 0.00 0.33 -3.65 4.18 4.64 -1.91 -3.36 113.55 113.79 1dgq h SER 165 Ca 0.00 0.06 -0.68 0.00 -0.47 0.00 0.00 61.79 60.70 1dgq h SER 165 Cb 0.78 0.01 -0.35 0.00 -0.31 0.00 0.00 62.40 62.53 1dgq h SER 165 CO 0.00 0.20 -0.65 -0.31 -0.87 0.00 0.00 176.83 175.20 1dgq s TYR 166 N -6.09 3.51 -0.17 4.77 1.51 -0.05 -0.65 117.35 120.18 1dgq s TYR 166 Ca -0.13 -2.37 -0.16 0.00 -1.01 0.00 0.00 57.07 53.40 1dgq s TYR 166 Cb 0.17 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1dgq s TYR 166 CO 0.75 -0.91 0.39 -0.65 -1.11 0.00 0.00 175.55 174.02 1dgq s GLN 167 N 1.12 4.24 0.15 -0.62 -0.21 0.14 -4.48 119.66 120.00 1dgq s GLN 167 Ca 0.03 0.24 0.05 0.00 0.02 0.00 0.00 55.36 55.70 1dgq s GLN 167 Cb -0.21 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 1dgq s GLN 167 CO -0.04 0.08 0.09 -0.06 -2.12 0.00 0.00 175.29 173.24 1dgq s PHE 168 N 0.93 3.08 0.05 0.91 0.40 -1.26 -0.21 117.98 121.88 1dgq s PHE 168 Ca 0.20 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1dgq s PHE 168 Cb -0.14 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 1dgq s PHE 168 CO 0.07 0.52 -0.03 0.00 0.70 0.00 0.00 175.22 176.47 1dgq s ALA 169 N -1.65 0.46 -0.02 5.36 0.00 -0.00 -3.23 121.76 122.67 1dgq s ALA 169 Ca 0.30 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1dgq s ALA 169 Cb -0.10 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1dgq s ALA 169 CO 0.22 -0.29 0.02 0.00 0.00 0.00 0.00 175.76 175.71 1dgq s ALA 170 N -3.20 0.11 -0.25 0.00 0.00 0.04 -0.60 121.76 117.86 1dgq s ALA 170 Ca 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1dgq s ALA 170 Cb 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1dgq s ALA 170 CO -0.07 -0.09 -0.06 0.08 0.00 0.00 0.00 175.76 175.62 1dgq s VAL 171 N 0.92 2.79 0.24 0.00 1.01 0.29 -0.23 120.40 125.43 1dgq s VAL 171 Ca -0.08 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1dgq s VAL 171 Cb -0.11 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 1dgq s VAL 171 CO -0.02 0.14 1.09 -1.58 0.00 0.00 0.00 175.10 174.73 1dgq s GLN 172 N 1.29 4.64 0.06 2.72 0.74 0.12 -0.83 119.66 128.39 1dgq s GLN 172 Ca -0.01 1.76 0.04 0.00 0.05 0.00 0.00 55.36 57.20 1dgq s GLN 172 Cb -0.17 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.69 1dgq s GLN 172 CO -0.04 0.18 -0.11 -0.59 -0.55 0.00 0.00 175.29 174.17 1dgq s PHE 173 N -0.85 0.97 0.00 1.67 -0.71 0.01 -0.32 117.98 118.76 1dgq s PHE 173 Ca 0.46 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 1dgq s PHE 173 Cb -0.31 -0.56 0.00 0.00 -1.21 0.00 0.00 43.02 40.94 1dgq s PHE 173 CO 0.38 -0.00 0.00 0.45 -1.34 0.00 0.00 175.22 174.71 1dgq n SER 174 N 1.41 0.19 -0.31 1.98 2.88 -1.26 -0.25 113.62 118.25 1dgq n SER 174 Ca -0.22 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.39 1dgq n SER 174 Cb 0.54 0.00 0.23 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 0.79 -2.50 2.46 2.02 -1.78 0.16 112.91 114.06 1dgq h THR 175 Ca 0.00 -0.25 -0.57 0.00 0.77 0.00 0.00 66.41 66.37 1dgq h THR 175 Cb 0.00 -0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 1dgq h THR 175 CO 0.00 0.13 -0.62 -0.44 0.37 0.00 0.00 175.52 174.96 1dgq s SER 176 N -5.50 4.92 0.03 4.18 0.01 -1.26 -4.50 113.70 111.59 1dgq s SER 176 Ca -0.12 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 1dgq s SER 176 Cb 0.22 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 1dgq s SER 176 CO 0.79 0.03 0.23 -0.72 0.41 0.00 0.00 173.24 173.98 1dgq s TYR 177 N -2.01 3.54 -0.24 2.43 -0.85 -1.26 -4.42 117.35 114.54 1dgq s TYR 177 Ca 0.30 0.39 -0.03 0.00 -0.52 0.00 0.00 57.07 57.22 1dgq s TYR 177 Cb -0.08 -1.86 0.11 0.00 0.38 0.00 0.00 41.96 40.51 1dgq s TYR 177 CO 0.21 0.60 0.25 0.21 -1.52 0.00 0.00 175.55 175.30 1dgq s LYS 178 N -2.15 0.24 -0.20 -3.49 2.20 0.56 -4.99 119.74 111.92 1dgq s LYS 178 Ca 0.31 0.08 -0.28 0.00 -0.36 0.00 0.00 55.97 55.72 1dgq s LYS 178 Cb -0.13 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 1dgq s LYS 178 CO 0.21 -0.79 2.17 0.99 -0.36 0.00 0.00 175.35 177.58 1dgq s THR 179 N 2.34 3.03 0.00 3.43 2.01 -1.26 -0.70 115.64 124.49 1dgq s THR 179 Ca 0.08 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 61.91 1dgq s THR 179 Cb -0.15 -3.04 -0.22 0.00 0.01 0.00 0.00 72.50 69.09 1dgq s THR 179 CO -0.20 -0.03 1.11 -0.33 -0.69 0.00 0.00 174.62 174.48 1dgq h GLU 180 N 14.51 0.38 -2.56 4.92 4.39 -0.96 -3.48 114.58 131.79 1dgq h GLU 180 Ca -0.41 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 58.88 1dgq h GLU 180 Cb 1.24 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.84 1dgq h GLU 180 CO 0.96 1.05 0.23 -0.59 -1.16 0.00 0.00 179.01 179.50 1dgq s PHE 181 N -3.29 -0.56 0.53 4.33 -0.12 -1.03 -4.86 117.98 112.97 1dgq s PHE 181 Ca -0.14 0.61 0.04 0.00 -0.05 0.00 0.00 56.93 57.39 1dgq s PHE 181 Cb 0.03 0.50 0.04 0.00 -0.63 0.00 0.00 43.02 42.96 1dgq s PHE 181 CO 0.80 -0.73 0.30 -0.40 -0.05 0.00 0.00 175.22 175.14 1dgq n ASP 182 N 0.12 2.89 0.09 1.98 5.68 -1.26 -0.78 116.55 125.27 1dgq n ASP 182 Ca -0.17 -2.94 -0.12 0.00 -0.50 0.00 0.00 54.79 51.06 1dgq n ASP 182 Cb 0.62 0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.82 -0.76 -0.78 2.11 0.04 -1.51 -0.69 116.94 116.16 1dgq h PHE 183 Ca -0.36 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.55 1dgq h PHE 183 Cb 1.25 0.33 -0.08 0.00 2.20 0.00 0.00 35.95 39.64 1dgq h PHE 183 CO 0.00 -0.38 0.39 0.77 -0.60 0.00 0.00 178.31 178.49 1dgq h SER 184 N -0.47 0.48 0.18 2.17 0.02 -1.07 0.16 113.55 115.02 1dgq h SER 184 Ca 0.04 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1dgq h SER 184 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1dgq h SER 184 CO -0.19 0.23 -0.24 0.44 -1.14 0.00 0.00 176.83 175.93 1dgq h ASP 185 N 0.60 -0.66 -0.29 3.07 3.32 -1.65 0.15 116.42 120.97 1dgq h ASP 185 Ca 0.41 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.59 1dgq h ASP 185 Cb 0.52 0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 1dgq h ASP 185 CO -0.33 -0.34 -0.10 0.22 -1.72 0.00 0.00 179.24 176.98 1dgq h TYR 186 N -0.48 -0.22 -0.63 4.55 3.20 -0.29 0.44 116.97 123.53 1dgq h TYR 186 Ca 0.01 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.99 1dgq h TYR 186 Cb 0.47 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1dgq h TYR 186 CO -0.19 -0.16 0.31 0.28 -1.64 0.00 0.00 178.16 176.76 1dgq h VAL 187 N -0.04 0.87 0.56 1.81 2.07 -0.33 0.29 116.25 121.49 1dgq h VAL 187 Ca 0.14 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1dgq h VAL 187 Cb 0.26 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1dgq h VAL 187 CO -0.32 0.10 -0.27 0.50 0.02 0.00 0.00 177.57 177.60 1dgq h LYS 188 N 0.55 -0.72 0.16 1.57 3.64 -0.14 -3.38 116.57 118.25 1dgq h LYS 188 Ca 0.30 0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 59.39 1dgq h LYS 188 Cb 0.29 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1dgq h LYS 188 CO -0.24 -0.41 -1.73 -1.49 -2.27 0.00 0.00 179.45 173.31 1dgq h TRP 189 N -1.05 0.62 -0.85 1.91 4.06 -0.79 -3.48 115.95 116.37 1dgq h TRP 189 Ca -0.08 -0.46 -0.20 0.00 2.06 0.00 0.00 58.89 60.22 1dgq h TRP 189 Cb 0.64 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.70 1dgq h TRP 189 CO 0.01 1.61 -0.18 1.63 -3.56 0.00 0.00 178.44 177.95 1dgq n LYS 190 N -3.54 -1.56 -3.94 0.49 4.76 0.10 -4.92 118.16 109.56 1dgq n LYS 190 Ca -0.23 0.69 -0.31 0.00 -2.87 0.00 0.00 58.31 55.59 1dgq n LYS 190 Cb 1.07 -4.83 -0.15 0.00 -1.84 0.00 0.00 35.03 29.28 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 -1.95 4.32 0.24 4.39 -1.08 -1.26 -4.96 116.67 116.36 1dgq s ASP 191 Ca 0.00 -1.70 -0.07 0.00 -0.52 0.00 0.00 52.55 50.26 1dgq s ASP 191 Cb 0.00 -1.32 0.42 0.00 -1.46 0.00 0.00 42.92 40.56 1dgq s ASP 191 CO 0.00 -0.33 1.64 -0.65 0.52 0.00 0.00 175.17 176.35 1dgq h PRO 192 N 7.83 0.10 -0.14 4.34 0.11 -1.92 -0.56 132.00 141.76 1dgq h PRO 192 Ca -0.11 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1dgq h PRO 192 Cb 1.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1dgq h PRO 192 CO 0.47 0.07 0.04 0.22 -0.21 0.00 0.00 178.00 178.59 1dgq h ASP 193 N 0.10 0.04 -0.95 -2.05 3.58 -1.96 0.30 116.42 115.48 1dgq h ASP 193 Ca 0.40 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.89 1dgq h ASP 193 Cb 0.70 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.71 1dgq h ASP 193 CO -0.65 0.05 0.63 0.00 -2.88 0.00 0.00 179.24 176.38 1dgq h ALA 194 N 1.09 1.23 -0.34 -0.78 0.00 -1.71 0.11 119.26 118.86 1dgq h ALA 194 Ca 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1dgq h ALA 194 Cb 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1dgq h ALA 194 CO -0.06 0.56 -0.41 -0.07 0.00 0.00 0.00 179.25 179.27 1dgq h LEU 195 N 1.26 0.89 0.00 0.00 3.38 -0.67 -3.33 115.31 116.83 1dgq h LEU 195 Ca 0.36 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dgq h LEU 195 Cb -0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1dgq h LEU 195 CO -0.09 1.18 -0.80 0.18 0.09 0.00 0.00 178.44 179.00 1dgq n LEU 196 N -4.04 0.64 -0.03 1.67 4.77 0.10 -4.15 117.00 115.96 1dgq n LEU 196 Ca -0.02 -0.07 0.23 0.00 -0.03 0.00 0.00 56.01 56.11 1dgq n LEU 196 Cb 0.55 -0.14 0.72 0.00 -2.33 0.00 0.00 43.42 42.21 1dgq n LEU 196 CO 0.48 0.10 1.21 0.07 -1.33 0.00 0.00 177.39 177.91 1dgq h LYS 197 N 0.00 0.00 0.00 3.23 2.10 -0.93 0.13 116.57 121.10 1dgq h LYS 197 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dgq h LYS 197 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1dgq h LYS 197 CO 0.00 0.00 0.00 1.58 -2.00 0.00 0.00 179.45 179.03 1dgq n HIS 198 N -4.15 0.44 -2.26 0.07 -0.00 -1.26 -4.65 115.22 103.42 1dgq n HIS 198 Ca 0.12 0.21 -0.33 0.00 0.46 0.00 0.00 57.72 58.17 1dgq n HIS 198 Cb 0.72 -0.83 -0.04 0.00 -0.12 0.00 0.00 29.99 29.72 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 -3.26 3.67 -0.47 3.57 1.01 0.03 -4.91 120.40 120.03 1dgq s VAL 199 Ca 0.02 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1dgq s VAL 199 Cb 0.06 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1dgq s VAL 199 CO 0.21 -1.36 0.79 -0.54 0.00 0.00 0.00 175.10 174.20 1dgq s LYS 200 N 6.07 3.35 -0.00 2.72 3.01 -1.26 -5.01 119.74 128.61 1dgq s LYS 200 Ca 0.61 -0.24 -0.30 0.00 -1.01 0.00 0.00 55.97 55.03 1dgq s LYS 200 Cb -0.03 -3.98 -0.08 0.00 -1.01 0.00 0.00 37.83 32.74 1dgq s LYS 200 CO -0.01 -1.19 1.87 -1.58 0.51 0.00 0.00 175.35 174.94 1dgq s HIS 201 N 3.31 1.51 -0.01 3.18 2.46 -1.26 -4.92 115.29 119.56 1dgq s HIS 201 Ca 0.28 -0.21 -0.25 0.00 0.47 0.00 0.00 55.06 55.34 1dgq s HIS 201 Cb -0.13 -4.13 -0.19 0.00 -0.13 0.00 0.00 32.58 28.00 1dgq s HIS 201 CO 0.21 -4.94 1.28 0.52 -2.47 0.00 0.00 174.74 169.33 1dgq h MET 202 N 10.38 -0.04 -4.98 2.88 2.86 -1.95 -3.48 114.93 120.60 1dgq h MET 202 Ca -0.46 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.88 1dgq h MET 202 Cb 1.22 0.01 0.13 0.00 0.06 0.00 0.00 31.60 33.01 1dgq h MET 202 CO 0.95 0.40 -0.59 1.28 1.06 0.00 0.00 176.91 180.01 1dgq n LEU 203 N -4.90 -3.39 0.00 1.22 4.77 0.48 -4.92 117.00 110.27 1dgq n LEU 203 Ca -0.08 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1dgq n LEU 203 Cb 0.24 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 1dgq n LEU 203 CO 0.33 0.44 0.00 0.18 -1.33 0.00 0.00 177.39 177.01 1dgq n LEU 204 N -3.91 0.00 0.00 2.23 4.77 -1.25 -3.78 117.00 115.05 1dgq n LEU 204 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1dgq n LEU 204 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 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 -3.30 2.23 4.77 -1.26 -0.72 117.00 118.72 1dgq n LEU 205 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1dgq n LEU 205 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1dgq n LEU 205 CO 0.00 0.00 -0.30 0.41 -1.33 0.00 0.00 177.39 176.17 1dgq n THR 206 N 0.00 -1.00 -1.65 -5.08 -1.04 -1.25 -2.59 114.28 101.67 1dgq n THR 206 Ca 0.00 -3.60 -0.40 0.00 -2.04 0.00 0.00 64.05 58.00 1dgq n THR 206 Cb 0.00 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 66.79 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 2.28 6.93 -0.09 8.00 5.15 0.57 -0.31 115.26 137.79 1dgq n ASN 207 Ca 0.26 -2.80 -0.10 0.00 -0.60 0.00 0.00 54.58 51.35 1dgq n ASN 207 Cb 0.50 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.18 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 3.28 1.16 0.41 -0.44 2.02 -1.90 0.28 112.91 117.73 1dgq h THR 208 Ca 0.71 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 1dgq h THR 208 Cb 0.42 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1dgq h THR 208 CO 1.75 0.17 -0.51 -0.26 0.37 0.00 0.00 175.52 177.03 1dgq h PHE 209 N 0.32 -1.43 -0.91 3.16 0.04 -1.84 0.22 116.94 116.49 1dgq h PHE 209 Ca 0.10 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.90 1dgq h PHE 209 Cb 0.15 0.57 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 1dgq h PHE 209 CO -0.01 -0.65 0.60 0.78 -0.60 0.00 0.00 178.31 178.43 1dgq h GLY 210 N -0.94 1.30 1.26 -1.45 0.00 -1.78 -0.71 103.07 100.75 1dgq h GLY 210 Ca -0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1dgq h GLY 210 CO -0.12 0.43 -0.19 0.00 0.00 0.00 0.00 176.54 176.67 1dgq h ALA 211 N 1.45 0.84 -0.07 3.60 0.00 -0.57 0.13 119.26 124.63 1dgq h ALA 211 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dgq h ALA 211 Cb -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1dgq h ALA 211 CO -0.09 0.64 0.04 0.82 0.00 0.00 0.00 179.25 180.66 1dgq h ILE 212 N 0.75 1.06 -0.33 0.00 2.04 0.10 0.48 117.51 121.62 1dgq h ILE 212 Ca 0.11 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1dgq h ILE 212 Cb 0.72 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1dgq h ILE 212 CO 0.06 0.05 0.07 0.78 0.00 0.00 0.00 178.15 179.11 1dgq h ASN 213 N 0.04 0.03 -0.05 1.72 2.35 -0.84 0.67 115.58 119.50 1dgq h ASN 213 Ca 0.02 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1dgq h ASN 213 Cb 0.05 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1dgq h ASN 213 CO -0.00 0.06 -0.36 0.22 -1.65 0.00 0.00 177.43 175.69 1dgq h TYR 214 N 0.20 -0.99 -0.15 1.19 3.20 -0.53 -2.05 116.97 117.82 1dgq h TYR 214 Ca 0.15 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1dgq h TYR 214 Cb 0.16 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1dgq h TYR 214 CO -0.17 -0.44 -0.22 0.28 -1.64 0.00 0.00 178.16 175.97 1dgq h VAL 215 N -0.48 0.44 -0.68 1.81 2.07 -0.55 0.25 116.25 119.11 1dgq h VAL 215 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.73 1dgq h VAL 215 Cb 0.59 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1dgq h VAL 215 CO -0.32 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.39 1dgq h ALA 216 N 0.72 0.82 0.03 1.67 0.00 -0.47 -0.53 119.26 121.50 1dgq h ALA 216 Ca 0.11 0.17 -0.38 0.00 0.00 0.00 0.00 54.91 54.80 1dgq h ALA 216 Cb 0.43 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1dgq h ALA 216 CO -0.31 -0.35 -2.24 0.25 0.00 0.00 0.00 179.25 176.60 1dgq n THR 217 N -5.19 1.57 -0.07 0.00 -2.24 -0.81 -4.33 114.28 103.22 1dgq n THR 217 Ca 0.12 -0.48 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 1dgq n THR 217 Cb 0.41 -1.68 -0.13 0.00 -2.10 0.00 0.00 70.33 66.84 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 -3.69 0.68 -0.03 -0.78 -0.58 0.86 -4.63 120.64 112.46 1dgq n GLU 218 Ca -0.43 0.27 -0.21 0.00 -0.42 0.00 0.00 57.16 56.37 1dgq n GLU 218 Cb 0.94 -1.63 -0.13 0.00 -0.57 0.00 0.00 31.44 30.05 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 -0.21 1.00 -0.19 2.62 2.07 -1.33 -3.39 116.25 116.81 1dgq h VAL 219 Ca -0.50 -2.32 -0.58 0.00 0.82 0.00 0.00 66.70 64.13 1dgq h VAL 219 Cb 1.85 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.20 1dgq h VAL 219 CO -0.07 0.60 2.07 0.49 0.02 0.00 0.00 177.57 180.68 1dgq n PHE 220 N -4.08 2.53 -4.24 1.57 3.72 -0.28 -4.77 117.46 111.92 1dgq n PHE 220 Ca -0.27 -1.94 -0.18 0.00 -0.05 0.00 0.00 57.45 55.00 1dgq n PHE 220 Cb 0.82 -2.13 -0.15 0.00 -0.94 0.00 0.00 39.48 37.07 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 5.11 0.70 0.25 -1.08 0.52 -1.26 -4.82 118.95 118.36 1dgq s ARG 221 Ca 0.59 -0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 1dgq s ARG 221 Cb 0.10 -0.69 0.49 0.00 0.52 0.00 0.00 34.95 35.37 1dgq s ARG 221 CO 0.10 0.06 1.72 0.93 0.02 0.00 0.00 175.30 178.12 1dgq h GLU 222 N 6.47 0.40 -0.65 3.54 3.07 -1.89 0.35 114.58 125.87 1dgq h GLU 222 Ca -0.33 -0.02 0.14 0.00 -0.50 0.00 0.00 59.36 58.64 1dgq h GLU 222 Cb 1.17 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.95 1dgq h GLU 222 CO 0.49 0.26 0.44 1.05 -1.40 0.00 0.00 179.01 179.85 1dgq h GLU 223 N 0.41 0.28 -0.09 2.33 4.11 -1.96 0.20 114.58 119.86 1dgq h GLU 223 Ca 0.43 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1dgq h GLU 223 Cb 0.69 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1dgq h GLU 223 CO -0.44 0.19 0.00 1.28 0.07 0.00 0.00 179.01 180.11 1dgq n LEU 224 N -4.45 1.86 0.00 3.06 4.77 -0.06 -4.92 117.00 117.26 1dgq n LEU 224 Ca 0.12 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1dgq n LEU 224 Cb 0.51 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1dgq n LEU 224 CO 0.34 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1dgq n GLY 225 N 1.20 1.06 3.56 -0.72 0.00 0.71 -0.53 105.19 110.47 1dgq n GLY 225 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 2.51 0.34 4.61 0.00 -0.21 -4.63 121.76 122.38 1dgq s ALA 226 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.00 1dgq s ALA 226 Cb 0.00 -4.42 -0.11 0.00 0.00 0.00 0.00 23.12 18.60 1dgq s ALA 226 CO 0.00 -3.71 1.46 1.03 0.00 0.00 0.00 175.76 174.54 1dgq s ARG 227 N 5.76 4.19 0.19 0.00 0.52 -1.26 -3.57 118.95 124.78 1dgq s ARG 227 Ca 0.48 2.46 -0.09 0.00 -0.52 0.00 0.00 55.73 58.06 1dgq s ARG 227 Cb -0.05 -3.02 0.09 0.00 0.52 0.00 0.00 34.95 32.49 1dgq s ARG 227 CO 0.03 -0.46 1.67 -1.00 0.02 0.00 0.00 175.30 175.56 1dgq h PRO 228 N 3.68 1.11 -0.63 3.54 0.13 -2.00 -2.99 132.00 134.85 1dgq h PRO 228 Ca -0.49 -0.32 -0.04 0.00 -0.87 0.00 0.00 66.00 64.28 1dgq h PRO 228 Cb 1.23 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1dgq h PRO 228 CO 0.69 1.04 0.25 0.22 -0.23 0.00 0.00 178.00 179.97 1dgq h ASP 229 N 1.03 0.87 -2.11 1.44 3.58 -1.97 -3.43 116.42 115.83 1dgq h ASP 229 Ca 0.19 -0.17 -0.60 0.00 0.42 0.00 0.00 57.03 56.87 1dgq h ASP 229 Cb 0.49 -0.23 0.03 0.00 1.72 0.00 0.00 39.33 41.34 1dgq h ASP 229 CO 0.02 0.80 1.04 0.00 -2.88 0.00 0.00 179.24 178.23 1dgq n ALA 230 N -2.38 1.05 -1.70 -0.78 0.00 -1.13 -4.80 120.51 110.76 1dgq n ALA 230 Ca 0.04 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1dgq n ALA 230 Cb 0.17 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 1dgq n ALA 230 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dgq n THR 231 N 4.79 0.21 -1.68 0.00 -1.04 0.01 -4.28 114.28 112.29 1dgq n THR 231 Ca 0.21 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.77 1dgq n THR 231 Cb 0.30 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 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 3.42 2.17 -3.40 -2.82 4.76 -1.26 -0.47 118.16 120.56 1dgq n LYS 232 Ca 0.15 -2.38 -0.38 0.00 -2.87 0.00 0.00 58.31 52.82 1dgq n LYS 232 Cb 0.33 -3.25 -0.08 0.00 -1.84 0.00 0.00 35.03 30.19 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 5.36 5.20 -0.32 -0.18 1.01 -0.24 -0.66 120.40 130.57 1dgq s VAL 233 Ca 0.56 0.63 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1dgq s VAL 233 Cb 0.10 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.86 1dgq s VAL 233 CO 0.05 0.22 0.02 -0.22 0.00 0.00 0.00 175.10 175.17 1dgq s LEU 234 N 1.55 4.35 -0.50 3.92 0.20 0.49 -0.49 118.68 128.21 1dgq s LEU 234 Ca 0.17 -1.84 -0.18 0.00 0.69 0.00 0.00 54.13 52.97 1dgq s LEU 234 Cb -0.15 -1.64 0.06 0.00 -0.43 0.00 0.00 46.19 44.04 1dgq s LEU 234 CO 0.08 -0.33 0.55 -0.63 -0.29 0.00 0.00 176.35 175.73 1dgq s ILE 235 N 1.02 4.99 -0.06 6.68 1.01 0.40 -0.69 121.20 134.55 1dgq s ILE 235 Ca 0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 1dgq s ILE 235 Cb -0.20 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 1dgq s ILE 235 CO -0.06 -0.74 1.06 -0.63 0.00 0.00 0.00 174.94 174.57 1dgq s ILE 236 N 2.31 4.64 -0.28 2.92 1.09 0.58 -0.47 121.20 131.99 1dgq s ILE 236 Ca 0.11 1.91 -0.02 0.00 -1.10 0.00 0.00 60.65 61.56 1dgq s ILE 236 Cb -0.21 -4.23 0.04 0.00 -1.06 0.00 0.00 42.46 37.01 1dgq s ILE 236 CO 0.10 0.04 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.33 1dgq s ILE 237 N 1.80 2.96 -0.03 2.92 1.01 0.09 -0.59 121.20 129.36 1dgq s ILE 237 Ca 0.51 -1.28 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1dgq s ILE 237 Cb -0.21 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1dgq s ILE 237 CO 0.21 -0.02 0.17 0.28 0.00 0.00 0.00 174.94 175.58 1dgq s THR 238 N 1.27 0.04 -0.81 2.92 -1.32 -0.41 -0.36 115.64 116.98 1dgq s THR 238 Ca -0.04 -0.36 0.22 0.00 -1.21 0.00 0.00 61.69 60.30 1dgq s THR 238 Cb -0.19 -0.36 -0.18 0.00 -1.51 0.00 0.00 72.50 70.25 1dgq s THR 238 CO -0.02 -0.20 0.95 -0.90 -2.21 0.00 0.00 174.62 172.25 1dgq n ASP 239 N 2.15 0.74 -4.16 8.08 5.75 -1.26 -0.67 116.55 127.17 1dgq n ASP 239 Ca -0.18 -0.62 -0.16 0.00 -0.01 0.00 0.00 54.79 53.82 1dgq n ASP 239 Cb 0.57 0.96 -0.11 0.00 -1.03 0.00 0.00 41.12 41.51 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 -3.30 0.82 0.74 6.12 0.00 -1.26 -2.91 107.32 107.53 1dgq s GLY 240 Ca 0.06 -1.05 -0.15 0.00 0.00 0.00 0.00 44.72 43.57 1dgq s GLY 240 CO 0.84 -1.10 0.90 1.18 0.00 0.00 0.00 173.10 174.92 1dgq n GLU 241 N 1.00 0.40 -2.28 2.90 1.02 -1.26 -4.91 120.64 117.51 1dgq n GLU 241 Ca -0.19 0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1dgq n GLU 241 Cb 0.56 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 29.78 1dgq n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dgq s ALA 242 N -1.89 2.63 0.25 0.62 0.00 -1.26 -4.68 121.76 117.42 1dgq s ALA 242 Ca 0.71 -0.69 0.13 0.00 0.00 0.00 0.00 51.96 52.11 1dgq s ALA 242 Cb -0.33 -4.17 0.45 0.00 0.00 0.00 0.00 23.12 19.06 1dgq s ALA 242 CO 0.52 -3.23 1.65 1.79 0.00 0.00 0.00 175.76 176.49 1dgq h THR 243 N 6.50 1.29 -0.10 0.00 1.35 -1.02 -3.31 112.91 117.64 1dgq h THR 243 Ca -0.27 -1.94 -0.08 0.00 -0.55 0.00 0.00 66.41 63.57 1dgq h THR 243 Cb 1.11 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 1dgq h THR 243 CO 1.19 0.54 -0.29 -0.78 -0.25 0.00 0.00 175.52 175.93 1dgq h ASP 244 N 0.00 0.18 -5.97 5.36 3.58 -1.90 -3.47 116.42 114.19 1dgq h ASP 244 Ca -0.01 -0.06 -0.42 0.00 0.42 0.00 0.00 57.03 56.97 1dgq h ASP 244 Cb 1.03 -0.05 0.09 0.00 1.72 0.00 0.00 39.33 42.12 1dgq h ASP 244 CO 0.07 0.47 -0.72 -0.24 -2.88 0.00 0.00 179.24 175.94 1dgq n SER 245 N -4.14 -5.15 0.00 2.28 2.88 -1.25 -4.99 113.62 103.25 1dgq n SER 245 Ca -0.01 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1dgq n SER 245 Cb 0.38 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.18 1dgq n SER 245 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dgq n GLY 246 N -1.80 0.89 3.70 0.46 0.00 -1.26 -5.13 105.19 102.05 1dgq n GLY 246 Ca -0.03 0.00 -0.09 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 0.02 0.00 1.61 2.20 -1.26 -5.08 114.94 111.42 1dgq s ASN 247 Ca 0.00 -0.96 0.08 0.00 -0.94 0.00 0.00 52.86 51.05 1dgq s ASN 247 Cb 0.00 0.69 0.14 0.00 -2.00 0.00 0.00 41.25 40.08 1dgq s ASN 247 CO 0.00 -1.33 1.00 2.30 -2.94 0.00 0.00 177.10 176.13 1dgq n ILE 248 N -0.46 0.00 -0.28 0.54 -5.35 -1.26 -4.57 119.36 107.98 1dgq n ILE 248 Ca -0.03 -0.31 0.04 0.00 -0.27 0.00 0.00 62.75 62.18 1dgq n ILE 248 Cb 0.61 0.60 0.19 0.00 -1.74 0.00 0.00 39.64 39.29 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 0.31 0.55 -1.39 7.28 3.58 -1.98 0.78 116.42 125.55 1dgq h ASP 249 Ca -0.11 0.07 0.41 0.00 0.42 0.00 0.00 57.03 57.82 1dgq h ASP 249 Cb 1.51 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.46 1dgq h ASP 249 CO 0.01 0.27 0.97 0.00 -2.88 0.00 0.00 179.24 177.61 1dgq h ALA 250 N 1.50 3.08 -0.41 -0.78 0.00 -1.96 -0.40 119.26 120.30 1dgq h ALA 250 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1dgq h ALA 250 Cb 0.50 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dgq h ALA 250 CO -0.31 -1.56 0.00 0.00 0.00 0.00 0.00 179.25 177.38 1dgq n ALA 251 N -2.70 2.25 -0.24 0.00 0.00 0.25 -4.74 120.51 115.32 1dgq n ALA 251 Ca 0.33 -1.22 0.17 0.00 0.00 0.00 0.00 53.44 52.73 1dgq n ALA 251 Cb 1.43 -0.53 0.48 0.00 0.00 0.00 0.00 19.45 20.83 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 2.38 0.45 0.00 0.00 2.10 -0.89 0.89 116.57 121.51 1dgq h LYS 252 Ca 0.00 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.48 1dgq h LYS 252 Cb 0.81 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.01 1dgq h LYS 252 CO 0.01 0.30 -0.69 0.22 -2.00 0.00 0.00 179.45 177.29 1dgq h ASP 253 N 0.46 0.00 -4.02 7.07 3.58 -1.85 -3.46 116.42 118.20 1dgq h ASP 253 Ca 0.46 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 57.45 1dgq h ASP 253 Cb 1.05 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1dgq h ASP 253 CO -0.18 0.69 0.36 -0.63 -2.88 0.00 0.00 179.24 176.60 1dgq s ILE 254 N -3.07 4.11 -0.79 2.25 1.01 0.31 -4.97 121.20 120.05 1dgq s ILE 254 Ca 0.01 1.43 -0.24 0.00 0.00 0.00 0.00 60.65 61.85 1dgq s ILE 254 Cb 0.10 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.99 1dgq s ILE 254 CO 0.77 -0.17 1.18 -0.63 0.00 0.00 0.00 174.94 176.08 1dgq s ILE 255 N -1.95 4.11 -0.89 2.92 -1.09 0.17 -4.85 121.20 119.61 1dgq s ILE 255 Ca 0.61 -0.36 -0.25 0.00 -2.23 0.00 0.00 60.65 58.42 1dgq s ILE 255 Cb -0.14 -4.84 0.02 0.00 -1.58 0.00 0.00 42.46 35.92 1dgq s ILE 255 CO 0.19 -1.68 1.53 -0.13 -1.23 0.00 0.00 174.94 173.62 1dgq s ARG 256 N 4.57 3.22 0.03 2.79 3.00 -1.26 -0.38 118.95 130.93 1dgq s ARG 256 Ca 0.32 -0.60 -0.23 0.00 0.00 0.00 0.00 55.73 55.22 1dgq s ARG 256 Cb -0.09 -4.93 -0.05 0.00 0.00 0.00 0.00 34.95 29.87 1dgq s ARG 256 CO 0.05 -2.45 0.71 -0.47 0.00 0.00 0.00 175.30 173.14 1dgq s TYR 257 N 6.45 3.72 -0.04 -0.53 6.14 0.14 -1.16 117.35 132.07 1dgq s TYR 257 Ca 0.50 1.38 0.00 0.00 0.64 0.00 0.00 57.07 59.59 1dgq s TYR 257 Cb -0.04 -2.75 0.03 0.00 0.42 0.00 0.00 41.96 39.61 1dgq s TYR 257 CO 0.01 0.30 -0.01 -1.50 0.64 0.00 0.00 175.55 174.99 1dgq s ILE 258 N -0.11 0.25 -0.36 3.14 2.07 0.23 -0.30 121.20 126.11 1dgq s ILE 258 Ca 0.36 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.58 1dgq s ILE 258 Cb -0.20 -0.35 0.04 0.00 0.13 0.00 0.00 42.46 42.08 1dgq s ILE 258 CO 0.21 0.17 0.17 -0.63 -1.91 0.00 0.00 174.94 172.95 1dgq s ILE 259 N 1.16 4.25 -0.49 2.00 1.01 0.24 -0.62 121.20 128.75 1dgq s ILE 259 Ca -0.08 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 1dgq s ILE 259 Cb -0.13 -3.40 0.05 0.00 0.01 0.00 0.00 42.46 38.98 1dgq s ILE 259 CO -0.02 -0.23 0.60 -0.83 0.00 0.00 0.00 174.94 174.46 1dgq s GLY 260 N 1.52 1.78 0.21 6.18 0.00 0.18 -1.28 107.32 115.92 1dgq s GLY 260 Ca 0.01 -1.64 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 1dgq s GLY 260 CO 0.05 1.44 1.33 -0.42 0.00 0.00 0.00 173.10 175.50 1dgq s ILE 261 N 2.58 3.09 -0.01 0.90 -1.09 0.15 -0.02 121.20 126.81 1dgq s ILE 261 Ca 0.16 0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 59.42 1dgq s ILE 261 Cb -0.18 -3.58 -0.26 0.00 -1.58 0.00 0.00 42.46 36.86 1dgq s ILE 261 CO 0.13 0.14 3.60 0.61 -1.23 0.00 0.00 174.94 178.19 1dgq n GLY 262 N 2.29 3.01 0.19 6.18 0.00 0.19 -3.37 105.19 113.69 1dgq n GLY 262 Ca 0.06 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 2.47 0.43 -0.04 1.61 4.76 -1.26 -4.43 118.16 121.69 1dgq n LYS 263 Ca 0.43 0.17 -0.20 0.00 -2.87 0.00 0.00 58.31 55.84 1dgq n LYS 263 Cb 0.91 -1.26 -0.13 0.00 -1.84 0.00 0.00 35.03 32.71 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 -0.82 0.21 0.00 2.13 3.86 -1.62 -3.39 115.15 115.53 1dgq h HIS 264 Ca 0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1dgq h HIS 264 Cb 0.82 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1dgq h HIS 264 CO -0.35 1.37 0.00 1.19 0.86 0.00 0.00 177.93 181.00 1dgq n PHE 265 N -4.26 0.00 0.20 2.45 3.72 -1.22 -2.33 117.46 116.03 1dgq n PHE 265 Ca -0.22 -0.01 0.05 0.00 -0.05 0.00 0.00 57.45 57.22 1dgq n PHE 265 Cb 0.73 -0.05 0.42 0.00 -0.94 0.00 0.00 39.48 39.64 1dgq n PHE 265 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1dgq h GLN 266 N 0.62 0.00 -6.63 -1.08 4.20 -1.77 -3.43 115.11 107.01 1dgq h GLN 266 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1dgq h GLN 266 Cb 0.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1dgq h GLN 266 CO 0.00 0.33 0.95 0.95 -0.67 0.00 0.00 178.83 180.39 1dgq s THR 267 N -4.01 4.17 0.28 -0.54 -4.23 -0.99 -4.92 115.64 105.41 1dgq s THR 267 Ca -0.02 1.21 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1dgq s THR 267 Cb 0.13 -4.49 0.29 0.00 1.34 0.00 0.00 72.50 69.77 1dgq s THR 267 CO 0.69 -0.90 1.67 0.50 -0.54 0.00 0.00 174.62 176.04 1dgq h LYS 268 N 9.43 0.30 -1.01 3.99 1.63 -1.92 0.26 116.57 129.25 1dgq h LYS 268 Ca -0.24 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1dgq h LYS 268 Cb 1.07 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.55 1dgq h LYS 268 CO 1.11 0.20 0.63 1.05 -3.45 0.00 0.00 179.45 178.99 1dgq h GLU 269 N 0.30 0.95 -0.16 1.90 9.09 -1.97 0.90 114.58 125.59 1dgq h GLU 269 Ca 0.54 -0.06 -0.18 0.00 0.05 0.00 0.00 59.36 59.71 1dgq h GLU 269 Cb 1.03 -0.21 0.01 0.00 -1.65 0.00 0.00 28.75 27.92 1dgq h GLU 269 CO -0.57 0.63 -0.61 0.77 0.05 0.00 0.00 179.01 179.27 1dgq h SER 270 N 0.98 0.82 -0.67 3.06 0.02 -0.93 -3.03 113.55 113.80 1dgq h SER 270 Ca 0.51 -0.61 0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1dgq h SER 270 Cb 0.53 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.75 1dgq h SER 270 CO -0.28 1.29 0.26 1.56 -1.14 0.00 0.00 176.83 178.52 1dgq h GLN 271 N 0.40 0.42 -0.00 3.45 4.20 -0.25 0.83 115.11 124.15 1dgq h GLN 271 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1dgq h GLN 271 Cb 1.24 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1dgq h GLN 271 CO 0.13 0.28 0.12 0.93 -0.67 0.00 0.00 178.83 179.62 1dgq h GLU 272 N 0.43 0.00 0.06 1.46 4.39 -0.74 0.30 114.58 120.48 1dgq h GLU 272 Ca 0.35 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.90 1dgq h GLU 272 Cb 0.47 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1dgq h GLU 272 CO -0.35 0.00 -0.61 1.79 -1.16 0.00 0.00 179.01 178.69 1dgq h THR 273 N 0.00 1.50 -0.76 1.13 1.35 -0.79 -3.25 112.91 112.09 1dgq h THR 273 Ca 0.00 -2.27 0.14 0.00 -0.55 0.00 0.00 66.41 63.73 1dgq h THR 273 Cb 0.24 2.92 -0.09 0.00 -1.73 0.00 0.00 68.15 69.49 1dgq h THR 273 CO -0.00 0.64 0.31 -0.07 -0.25 0.00 0.00 175.52 176.15 1dgq h LEU 274 N -0.32 0.29 -1.12 3.87 3.38 -0.72 0.15 115.31 120.85 1dgq h LEU 274 Ca -0.09 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.19 1dgq h LEU 274 Cb 1.39 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 42.12 1dgq h LEU 274 CO 0.12 0.11 0.62 0.45 0.09 0.00 0.00 178.44 179.82 1dgq h HIS 275 N 0.45 0.95 -0.04 1.13 3.86 -1.20 0.13 115.15 120.43 1dgq h HIS 275 Ca 0.41 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.49 1dgq h HIS 275 Cb 0.62 -0.28 0.01 0.00 1.06 0.00 0.00 27.41 28.82 1dgq h HIS 275 CO -0.16 0.19 -0.60 0.87 0.86 0.00 0.00 177.93 179.09 1dgq h LYS 276 N 0.66 0.48 -0.68 2.45 1.57 -0.77 -3.30 116.57 116.98 1dgq h LYS 276 Ca 0.57 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1dgq h LYS 276 Cb 1.03 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1dgq h LYS 276 CO -0.35 1.10 0.31 0.74 -0.57 0.00 0.00 179.45 180.69 1dgq h PHE 277 N 0.03 1.00 -3.82 -1.35 0.04 -0.39 -3.45 116.94 108.99 1dgq h PHE 277 Ca -0.06 -0.06 -0.47 0.00 2.80 0.00 0.00 57.97 60.18 1dgq h PHE 277 Cb 1.28 -0.31 0.17 0.00 2.20 0.00 0.00 35.95 39.30 1dgq h PHE 277 CO 0.13 0.75 0.17 0.00 -0.60 0.00 0.00 178.31 178.76 1dgq s ALA 278 N -5.66 0.83 0.70 2.45 0.00 0.38 -4.76 121.76 115.70 1dgq s ALA 278 Ca -0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1dgq s ALA 278 Cb 0.14 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 20.10 1dgq s ALA 278 CO 0.80 -2.93 1.04 -1.12 0.00 0.00 0.00 175.76 173.56 1dgq s SER 279 N -3.12 5.03 -0.01 0.00 0.01 -0.31 -4.86 113.70 110.43 1dgq s SER 279 Ca 0.66 0.70 0.02 0.00 1.31 0.00 0.00 55.95 58.64 1dgq s SER 279 Cb -0.20 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 1dgq s SER 279 CO 0.59 -1.50 -0.03 -0.54 0.41 0.00 0.00 173.24 172.16 1dgq s LYS 280 N -5.28 2.69 -0.03 12.44 -0.14 -1.26 -3.39 119.74 124.77 1dgq s LYS 280 Ca 0.59 -0.64 -0.30 0.00 -1.36 0.00 0.00 55.97 54.26 1dgq s LYS 280 Cb -0.11 -2.60 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 1dgq s LYS 280 CO 0.47 0.62 1.43 -1.25 -0.76 0.00 0.00 175.35 175.86 1dgq s PRO 281 N -1.39 4.26 0.51 -1.68 0.04 -1.26 -5.01 135.00 130.47 1dgq s PRO 281 Ca 0.17 1.96 0.16 0.00 0.04 0.00 0.00 61.00 63.34 1dgq s PRO 281 Cb -0.11 -3.67 1.25 0.00 0.04 0.00 0.00 34.50 32.00 1dgq s PRO 281 CO 0.08 -0.64 2.12 0.00 0.04 0.00 0.00 177.00 178.60 1dgq h ALA 282 N 8.18 2.03 -0.44 8.56 0.00 -1.91 0.47 119.26 136.15 1dgq h ALA 282 Ca -0.37 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1dgq h ALA 282 Cb 1.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1dgq h ALA 282 CO 0.92 -0.05 0.30 0.66 0.00 0.00 0.00 179.25 181.08 1dgq h SER 283 N 0.05 0.28 0.05 0.00 4.64 -1.89 0.19 113.55 116.87 1dgq h SER 283 Ca 0.04 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.09 1dgq h SER 283 Cb 0.11 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1dgq h SER 283 CO -0.00 0.19 -1.47 -0.33 -0.87 0.00 0.00 176.83 174.34 1dgq h GLU 284 N 0.32 0.10 -0.02 4.77 4.39 -1.33 -3.41 114.58 119.40 1dgq h GLU 284 Ca 0.19 -0.16 -0.19 0.00 0.34 0.00 0.00 59.36 59.54 1dgq h GLU 284 Cb 0.35 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1dgq h GLU 284 CO -0.04 1.08 -0.83 0.74 -1.16 0.00 0.00 179.01 178.80 1dgq h PHE 285 N -0.64 0.38 -3.46 4.33 0.04 -1.04 -3.42 116.94 113.12 1dgq h PHE 285 Ca -0.36 -0.19 -0.61 0.00 2.80 0.00 0.00 57.97 59.61 1dgq h PHE 285 Cb 1.55 -0.05 -0.11 0.00 2.20 0.00 0.00 35.95 39.54 1dgq h PHE 285 CO 0.10 0.97 0.18 0.08 -0.60 0.00 0.00 178.31 179.04 1dgq s VAL 286 N -3.35 4.98 -0.33 -0.55 1.01 0.65 -0.60 120.40 122.19 1dgq s VAL 286 Ca -0.04 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 1dgq s VAL 286 Cb 0.10 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1dgq s VAL 286 CO 0.83 0.02 0.06 -0.54 0.00 0.00 0.00 175.10 175.48 1dgq s LYS 287 N 2.50 2.23 -0.86 2.72 -0.14 0.21 -4.75 119.74 121.66 1dgq s LYS 287 Ca 0.27 -1.47 -0.25 0.00 -1.36 0.00 0.00 55.97 53.16 1dgq s LYS 287 Cb -0.15 -3.30 0.01 0.00 -1.68 0.00 0.00 37.83 32.71 1dgq s LYS 287 CO 0.08 -0.77 1.61 0.42 -0.76 0.00 0.00 175.35 175.93 1dgq s ILE 288 N 1.19 3.65 0.19 2.17 -1.09 -1.26 -0.64 121.20 125.42 1dgq s ILE 288 Ca -0.00 -0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 1dgq s ILE 288 Cb -0.21 -4.56 -0.08 0.00 -1.58 0.00 0.00 42.46 36.04 1dgq s ILE 288 CO -0.03 -1.49 1.10 -0.22 -1.23 0.00 0.00 174.94 173.07 1dgq s LEU 289 N 7.19 4.50 0.09 2.97 0.20 0.97 -4.86 118.68 129.74 1dgq s LEU 289 Ca 0.53 2.11 -0.33 0.00 0.69 0.00 0.00 54.13 57.14 1dgq s LEU 289 Cb -0.06 -3.61 -0.15 0.00 -0.43 0.00 0.00 46.19 41.94 1dgq s LEU 289 CO 0.03 -0.20 1.60 -0.78 -0.29 0.00 0.00 176.35 176.72 1dgq h ASP 290 N 4.89 -1.04 -5.12 3.68 3.58 -1.94 0.55 116.42 121.03 1dgq h ASP 290 Ca -0.45 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.02 1dgq h ASP 290 Cb 1.21 0.33 -0.13 0.00 1.72 0.00 0.00 39.33 42.46 1dgq h ASP 290 CO 0.71 -0.57 -0.19 0.42 -2.88 0.00 0.00 179.24 176.74 1dgq s THR 291 N -5.98 0.09 0.28 2.25 -4.23 -1.26 -3.16 115.64 103.63 1dgq s THR 291 Ca -0.17 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1dgq s THR 291 Cb 0.05 -1.29 0.26 0.00 1.34 0.00 0.00 72.50 72.86 1dgq s THR 291 CO 0.62 -0.43 1.74 -0.26 -0.54 0.00 0.00 174.62 175.76 1dgq h PHE 292 N 2.50 0.77 -0.85 3.99 0.04 -1.96 0.17 116.94 121.61 1dgq h PHE 292 Ca -0.34 0.04 0.22 0.00 2.80 0.00 0.00 57.97 60.69 1dgq h PHE 292 Cb 1.23 -0.21 -0.14 0.00 2.20 0.00 0.00 35.95 39.04 1dgq h PHE 292 CO 0.37 0.11 0.16 0.93 -0.60 0.00 0.00 178.31 179.28 1dgq h GLU 293 N 0.57 0.17 -0.01 1.51 3.07 -1.96 1.00 114.58 118.93 1dgq h GLU 293 Ca 0.51 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1dgq h GLU 293 Cb 0.82 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1dgq h GLU 293 CO -0.42 0.11 0.00 1.63 -1.40 0.00 0.00 179.01 178.93 1dgq n LYS 294 N -5.27 1.02 -0.15 2.33 4.76 0.04 -3.40 118.16 117.50 1dgq n LYS 294 Ca 0.19 -0.03 0.17 0.00 -2.87 0.00 0.00 58.31 55.77 1dgq n LYS 294 Cb 0.62 -1.24 0.55 0.00 -1.84 0.00 0.00 35.03 33.12 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 0.06 0.31 -0.49 -0.35 3.38 -0.75 0.92 115.31 118.39 1dgq h LEU 295 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dgq h LEU 295 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dgq h LEU 295 CO 0.00 0.15 0.30 0.11 0.09 0.00 0.00 178.44 179.09 1dgq h LYS 296 N 0.32 0.65 0.10 1.13 1.79 -1.77 0.21 116.57 119.01 1dgq h LYS 296 Ca 0.37 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1dgq h LYS 296 Cb 0.97 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1dgq h LYS 296 CO -0.10 0.47 -0.05 0.22 -1.08 0.00 0.00 179.45 178.91 1dgq h ASP 297 N 0.65 -0.11 -0.29 0.86 3.58 -1.19 -1.27 116.42 118.65 1dgq h ASP 297 Ca 0.18 -0.26 0.06 0.00 0.42 0.00 0.00 57.03 57.42 1dgq h ASP 297 Cb -0.02 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.00 1dgq h ASP 297 CO -0.03 0.21 -0.08 0.25 -2.88 0.00 0.00 179.24 176.70 1dgq h LEU 298 N -0.44 -0.30 -0.52 2.28 5.85 -0.87 -0.35 115.31 120.95 1dgq h LEU 298 Ca -0.01 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1dgq h LEU 298 Cb 0.37 0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 1dgq h LEU 298 CO 0.02 -0.11 -0.24 0.15 -0.34 0.00 0.00 178.44 177.93 1dgq h PHE 299 N -0.02 -0.60 -0.48 1.25 3.57 -0.51 0.20 116.94 120.35 1dgq h PHE 299 Ca 0.14 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1dgq h PHE 299 Cb 0.23 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1dgq h PHE 299 CO -0.29 -0.32 0.21 1.15 -2.23 0.00 0.00 178.31 176.83 1dgq h THR 300 N -0.11 0.90 -0.07 4.41 2.02 0.01 0.16 112.91 120.22 1dgq h THR 300 Ca 0.24 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1dgq h THR 300 Cb 0.49 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1dgq h THR 300 CO -0.60 0.07 0.05 -0.08 0.37 0.00 0.00 175.52 175.33 1dgq h GLU 301 N 0.41 0.09 -0.92 6.66 4.57 0.05 0.20 114.58 125.63 1dgq h GLU 301 Ca 0.22 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1dgq h GLU 301 Cb 0.18 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1dgq h GLU 301 CO -0.19 0.06 0.53 -0.07 -1.18 0.00 0.00 179.01 178.16 1dgq h LEU 302 N 0.09 1.13 -0.07 1.64 3.38 -0.12 -0.89 115.31 120.49 1dgq h LEU 302 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dgq h LEU 302 Cb -0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1dgq h LEU 302 CO -0.01 0.88 0.01 1.56 0.09 0.00 0.00 178.44 180.98 1dgq h GLN 303 N 1.28 0.03 -0.62 1.13 1.08 -0.41 0.22 115.11 117.82 1dgq h GLN 303 Ca 0.33 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.65 1dgq h GLN 303 Cb -0.02 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.31 1dgq h GLN 303 CO -0.06 0.02 0.09 -0.22 -0.95 0.00 0.00 178.83 177.71 1dgq h LYS 304 N 0.04 0.20 0.25 1.46 1.63 -0.22 0.15 116.57 120.08 1dgq h LYS 304 Ca 0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1dgq h LYS 304 Cb 0.03 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1dgq h LYS 304 CO -0.04 0.13 -0.12 0.87 -3.45 0.00 0.00 179.45 176.84 1dgq h LYS 305 N 0.20 -0.33 -0.86 1.90 1.57 -0.90 -3.34 116.57 114.81 1dgq h LYS 305 Ca 0.33 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.29 1dgq h LYS 305 Cb 0.53 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 1dgq h LYS 305 CO -0.47 -0.22 0.56 0.82 -0.57 0.00 0.00 179.45 179.58 1dgq h ILE 306 N -0.40 0.80 -0.82 1.86 2.04 -0.32 0.18 117.51 120.86 1dgq h ILE 306 Ca -0.03 -0.20 0.19 0.00 1.00 0.00 0.00 64.86 65.81 1dgq h ILE 306 Cb 0.26 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 36.38 1dgq h ILE 306 CO 0.06 0.11 0.25 0.22 0.00 0.00 0.00 178.15 178.78 1dgq h TYR 307 N 0.59 0.39 -0.46 1.37 3.20 -0.82 0.16 116.97 121.40 1dgq h TYR 307 Ca 0.44 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.31 1dgq h TYR 307 Cb 0.81 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1dgq h TYR 307 CO -0.00 -0.10 0.10 0.28 -1.64 0.00 0.00 178.16 176.79 1dgq h VAL 308 N 0.29 1.21 -0.06 1.81 2.07 -1.08 0.30 116.25 120.79 1dgq h VAL 308 Ca 0.49 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1dgq h VAL 308 Cb 0.89 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1dgq h VAL 308 CO -0.55 0.27 -0.14 0.40 0.02 0.00 0.00 177.57 177.57 1dgq h ILE 309 N 0.67 1.43 -0.12 4.57 1.08 -0.82 -2.87 117.51 121.45 1dgq h ILE 309 Ca 0.15 -1.50 -0.06 0.00 -0.39 0.00 0.00 64.86 63.06 1dgq h ILE 309 Cb 0.27 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.30 1dgq h ILE 309 CO -0.00 0.42 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.60 1dgq h GLU 310 N -0.32 0.21 0.00 2.37 4.81 -0.90 -3.17 114.58 117.58 1dgq h GLU 310 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1dgq h GLU 310 Cb 0.74 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1dgq h GLU 310 CO 0.03 0.40 0.00 0.41 -0.73 0.00 0.00 179.01 179.12