#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 4.32 -1.66 3.04 0.00 -1.26 -4.87 120.51 120.08 1dgq n ALA 125 Ca 0.00 -3.59 -0.41 0.00 0.00 0.00 0.00 53.44 49.44 1dgq n ALA 125 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 19.45 15.83 1dgq n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dgq n SER 126 N 7.07 3.42 -0.35 0.00 3.41 -1.26 -4.57 113.62 121.33 1dgq n SER 126 Ca 0.51 -2.78 0.13 0.00 -0.26 0.00 0.00 58.87 56.47 1dgq n SER 126 Cb 0.40 -1.48 0.56 0.00 -0.26 0.00 0.00 64.21 63.44 1dgq n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dgq n LYS 127 N 6.97 1.47 0.00 4.33 5.02 -1.26 -4.95 118.16 129.74 1dgq n LYS 127 Ca 0.50 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1dgq n LYS 127 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1dgq n LYS 127 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dgq n GLY 128 N 1.08 1.72 3.79 0.72 0.00 -1.11 -4.83 105.19 106.56 1dgq n GLY 128 Ca 0.18 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1dgq n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dgq s ASN 129 N 0.00 6.57 -0.10 1.61 2.47 -1.26 -4.64 114.94 119.59 1dgq s ASN 129 Ca 0.00 1.95 -0.04 0.00 0.42 0.00 0.00 52.86 55.19 1dgq s ASN 129 Cb 0.00 -2.57 0.05 0.00 -1.45 0.00 0.00 41.25 37.28 1dgq s ASN 129 CO 0.00 -0.62 0.21 -0.69 -3.72 0.00 0.00 177.10 172.27 1dgq s VAL 130 N -1.87 -0.20 -0.54 -5.21 1.01 0.67 -0.41 120.40 113.85 1dgq s VAL 130 Ca 0.63 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 1dgq s VAL 130 Cb -0.18 -0.34 0.11 0.00 0.00 0.00 0.00 36.38 35.97 1dgq s VAL 130 CO 0.22 0.10 0.55 -1.81 0.00 0.00 0.00 175.10 174.16 1dgq s ASP 131 N 1.84 6.18 -0.40 3.32 1.01 0.51 -0.31 116.67 128.82 1dgq s ASP 131 Ca -0.03 -1.56 -0.14 0.00 0.71 0.00 0.00 52.55 51.53 1dgq s ASP 131 Cb -0.12 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1dgq s ASP 131 CO -0.07 -0.90 0.28 -0.22 0.21 0.00 0.00 175.17 174.47 1dgq s LEU 132 N 1.97 5.03 -0.35 1.23 0.20 0.47 -0.61 118.68 126.62 1dgq s LEU 132 Ca 0.06 -0.94 -0.17 0.00 0.69 0.00 0.00 54.13 53.77 1dgq s LEU 132 Cb -0.27 -2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 43.36 1dgq s LEU 132 CO 0.05 -0.44 0.46 -0.69 -0.29 0.00 0.00 176.35 175.44 1dgq s VAL 133 N 1.64 5.07 -0.74 1.68 1.01 0.26 -0.78 120.40 128.55 1dgq s VAL 133 Ca 0.04 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1dgq s VAL 133 Cb -0.19 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1dgq s VAL 133 CO 0.09 -0.18 1.16 -0.36 0.00 0.00 0.00 175.10 175.81 1dgq s PHE 134 N 2.26 2.49 -1.06 5.22 0.08 0.12 -0.51 117.98 126.59 1dgq s PHE 134 Ca 0.16 -0.37 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 1dgq s PHE 134 Cb -0.16 -4.48 0.18 0.00 -0.57 0.00 0.00 43.02 37.99 1dgq s PHE 134 CO 0.13 -1.87 1.20 -1.17 -0.10 0.00 0.00 175.22 173.40 1dgq s LEU 135 N 4.87 5.50 -0.21 -0.37 2.96 0.33 -0.57 118.68 131.19 1dgq s LEU 135 Ca 0.30 -2.77 -0.11 0.00 -0.22 0.00 0.00 54.13 51.33 1dgq s LEU 135 Cb -0.11 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1dgq s LEU 135 CO 0.10 -0.74 0.20 0.72 -1.32 0.00 0.00 176.35 175.31 1dgq s PHE 136 N 1.24 3.37 0.39 5.38 -0.71 -0.36 -0.92 117.98 126.39 1dgq s PHE 136 Ca 0.34 0.36 -0.26 0.00 -1.04 0.00 0.00 56.93 56.33 1dgq s PHE 136 Cb -0.06 -2.27 -0.09 0.00 -1.21 0.00 0.00 43.02 39.40 1dgq s PHE 136 CO -0.05 0.16 1.26 0.34 -1.34 0.00 0.00 175.22 175.58 1dgq s ASP 137 N 0.74 6.43 -0.36 1.98 2.15 0.50 -0.92 116.67 127.20 1dgq s ASP 137 Ca 0.10 2.56 0.14 0.00 0.43 0.00 0.00 52.55 55.79 1dgq s ASP 137 Cb -0.13 -2.63 0.43 0.00 -0.30 0.00 0.00 42.92 40.29 1dgq s ASP 137 CO 0.03 -0.76 0.95 0.61 -0.17 0.00 0.00 175.17 175.83 1dgq n GLY 138 N 0.69 2.81 3.82 2.66 0.00 0.10 -4.82 105.19 110.45 1dgq n GLY 138 Ca 0.03 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.12 5.05 0.54 1.61 1.04 -1.26 -0.40 113.70 117.16 1dgq s SER 139 Ca 0.34 1.43 0.31 0.00 0.48 0.00 0.00 55.95 58.51 1dgq s SER 139 Cb 0.43 -2.25 1.48 0.00 0.10 0.00 0.00 66.02 65.78 1dgq s SER 139 CO -0.03 -1.63 1.89 0.00 0.98 0.00 0.00 173.24 174.45 1dgq h MET 140 N -0.85 0.00 -0.93 4.02 -0.00 -1.29 0.15 114.93 116.03 1dgq h MET 140 Ca -0.45 0.00 0.27 0.00 -0.00 0.00 0.00 59.70 59.51 1dgq h MET 140 Cb 1.24 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.69 1dgq h MET 140 CO 0.59 0.00 0.35 0.77 -0.00 0.00 0.00 176.91 178.62 1dgq h SER 141 N 0.00 0.18 -3.47 -0.10 0.02 -1.91 -3.39 113.55 104.87 1dgq h SER 141 Ca 0.41 0.20 -0.57 0.00 -0.84 0.00 0.00 61.79 61.00 1dgq h SER 141 Cb 1.69 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 64.39 1dgq h SER 141 CO -0.00 -0.15 0.94 -0.76 -1.14 0.00 0.00 176.83 175.71 1dgq s LEU 142 N -10.58 3.74 0.42 5.07 1.43 0.04 -5.03 118.68 113.76 1dgq s LEU 142 Ca -0.11 0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 53.55 1dgq s LEU 142 Cb 0.28 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.84 1dgq s LEU 142 CO 0.78 -1.16 0.93 -1.10 0.23 0.00 0.00 176.35 176.03 1dgq s GLN 143 N 4.29 4.22 0.25 1.70 -1.52 -1.26 -4.82 119.66 122.52 1dgq s GLN 143 Ca 0.50 1.09 -0.03 0.00 -1.95 0.00 0.00 55.36 54.97 1dgq s GLN 143 Cb -0.11 -2.21 0.49 0.00 -0.22 0.00 0.00 33.01 30.95 1dgq s GLN 143 CO 0.27 -0.01 1.72 -1.00 -0.25 0.00 0.00 175.29 176.02 1dgq h PRO 144 N 1.97 0.41 -0.81 2.91 0.13 -1.97 0.36 132.00 135.00 1dgq h PRO 144 Ca -0.49 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1dgq h PRO 144 Cb 1.18 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1dgq h PRO 144 CO 0.61 0.27 0.53 0.22 -0.23 0.00 0.00 178.00 179.40 1dgq h ASP 145 N 0.42 0.90 0.04 1.44 3.58 -1.99 0.29 116.42 121.10 1dgq h ASP 145 Ca 0.43 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.86 1dgq h ASP 145 Cb 0.68 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1dgq h ASP 145 CO -0.43 0.64 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.22 1dgq h GLU 146 N 1.06 -0.05 -0.98 0.28 5.08 -1.40 -2.92 114.58 115.65 1dgq h GLU 146 Ca 0.31 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.76 1dgq h GLU 146 Cb -0.07 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1dgq h GLU 146 CO -0.09 0.28 0.63 0.35 -1.00 0.00 0.00 179.01 179.18 1dgq h PHE 147 N -0.37 1.13 -0.18 4.33 3.57 -0.70 -0.12 116.94 124.59 1dgq h PHE 147 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1dgq h PHE 147 Cb 0.35 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1dgq h PHE 147 CO 0.03 0.53 0.01 1.96 -2.23 0.00 0.00 178.31 178.61 1dgq h GLN 148 N 1.06 0.26 -0.33 1.11 1.08 -0.35 0.11 115.11 118.05 1dgq h GLN 148 Ca 0.45 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.44 1dgq h GLN 148 Cb 0.32 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1dgq h GLN 148 CO -0.20 0.28 -0.46 0.87 -0.95 0.00 0.00 178.83 178.36 1dgq h LYS 149 N 0.25 0.87 -0.22 1.46 1.57 -0.85 0.18 116.57 119.83 1dgq h LYS 149 Ca 0.06 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1dgq h LYS 149 Cb 0.17 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1dgq h LYS 149 CO 0.00 1.14 -0.03 0.82 -0.57 0.00 0.00 179.45 180.81 1dgq h ILE 150 N 0.69 0.81 -0.20 1.86 1.08 -0.57 -0.06 117.51 121.12 1dgq h ILE 150 Ca 0.04 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1dgq h ILE 150 Cb 1.06 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 1dgq h ILE 150 CO 0.11 0.00 0.02 -0.07 -0.69 0.00 0.00 178.15 177.52 1dgq h LEU 151 N 0.03 -0.03 -0.64 1.44 3.38 -0.78 -2.50 115.31 116.20 1dgq h LEU 151 Ca 0.10 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1dgq h LEU 151 Cb 0.15 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1dgq h LEU 151 CO -0.20 0.01 0.22 -0.78 0.09 0.00 0.00 178.44 177.78 1dgq h ASP 152 N 0.10 0.19 0.30 -0.43 3.58 -0.03 0.14 116.42 120.26 1dgq h ASP 152 Ca 0.09 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1dgq h ASP 152 Cb 0.10 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1dgq h ASP 152 CO -0.14 0.10 -0.28 0.15 -2.88 0.00 0.00 179.24 176.19 1dgq h PHE 153 N 0.39 -0.75 0.15 0.28 3.57 -0.77 0.21 116.94 120.02 1dgq h PHE 153 Ca 0.33 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1dgq h PHE 153 Cb 0.45 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1dgq h PHE 153 CO -0.18 -0.41 -0.29 0.52 -2.23 0.00 0.00 178.31 175.72 1dgq h MET 154 N -0.61 -0.50 -0.69 1.11 2.86 -0.94 -1.56 114.93 114.61 1dgq h MET 154 Ca -0.01 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 1dgq h MET 154 Cb 0.55 0.11 -0.13 0.00 0.06 0.00 0.00 31.60 32.20 1dgq h MET 154 CO -0.05 -0.33 -0.10 -0.22 1.06 0.00 0.00 176.91 177.27 1dgq h LYS 155 N -0.52 0.04 0.32 1.72 3.11 -0.65 -0.46 116.57 120.13 1dgq h LYS 155 Ca 0.02 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1dgq h LYS 155 Cb 0.53 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1dgq h LYS 155 CO -0.15 0.03 -0.30 -0.44 -2.81 0.00 0.00 179.45 175.78 1dgq h ASP 156 N 0.04 -0.79 -0.40 4.20 3.32 0.16 0.11 116.42 123.06 1dgq h ASP 156 Ca 0.35 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.54 1dgq h ASP 156 Cb 0.56 0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 1dgq h ASP 156 CO -0.66 -0.43 -0.01 0.58 -1.72 0.00 0.00 179.24 177.00 1dgq h VAL 157 N -0.64 0.69 0.13 -1.35 2.07 -0.53 -0.27 116.25 116.35 1dgq h VAL 157 Ca -0.02 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1dgq h VAL 157 Cb 0.58 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1dgq h VAL 157 CO -0.05 0.02 -0.19 0.24 0.02 0.00 0.00 177.57 177.61 1dgq h MET 158 N 0.10 -0.37 0.03 1.57 2.86 -0.74 -0.55 114.93 117.83 1dgq h MET 158 Ca 0.20 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1dgq h MET 158 Cb 0.28 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1dgq h MET 158 CO -0.33 -0.25 -0.26 0.87 1.06 0.00 0.00 176.91 178.00 1dgq h LYS 159 N -0.38 -0.40 -0.64 1.72 1.79 -0.28 -0.01 116.57 118.36 1dgq h LYS 159 Ca 0.02 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.59 1dgq h LYS 159 Cb 0.39 0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 1dgq h LYS 159 CO -0.09 -0.27 0.32 0.87 -1.08 0.00 0.00 179.45 179.20 1dgq h LYS 160 N -0.41 0.56 -0.90 3.15 6.56 -0.89 -2.84 116.57 121.80 1dgq h LYS 160 Ca 0.05 -0.03 -0.62 0.00 -1.06 0.00 0.00 60.65 58.99 1dgq h LYS 160 Cb 0.48 -0.13 -0.34 0.00 -0.57 0.00 0.00 32.23 31.68 1dgq h LYS 160 CO -0.21 0.37 0.23 1.28 -2.06 0.00 0.00 179.45 179.06 1dgq n LEU 161 N -4.87 6.63 -3.96 2.94 4.77 -0.23 -4.92 117.00 117.37 1dgq n LEU 161 Ca 0.08 -4.45 -0.39 0.00 -0.03 0.00 0.00 56.01 51.23 1dgq n LEU 161 Cb 0.21 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 1dgq n LEU 161 CO 0.27 1.70 1.96 -1.20 -1.33 0.00 0.00 177.39 178.79 1dgq n SER 162 N -0.85 2.88 -3.73 -1.43 7.64 -0.06 -4.57 113.62 113.51 1dgq n SER 162 Ca 0.56 -2.71 -0.10 0.00 1.01 0.00 0.00 58.87 57.63 1dgq n SER 162 Cb 0.79 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.59 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 5.29 -0.26 -1.07 6.43 4.22 -1.26 -5.06 114.94 123.23 1dgq s ASN 163 Ca 0.60 -0.47 -0.09 0.00 -2.14 0.00 0.00 52.86 50.76 1dgq s ASN 163 Cb 0.09 0.57 -0.07 0.00 1.28 0.00 0.00 41.25 43.12 1dgq s ASN 163 CO 0.11 -1.03 2.26 0.41 -2.04 0.00 0.00 177.10 176.81 1dgq n THR 164 N -0.33 2.78 0.00 0.54 -1.04 -1.26 -2.53 114.28 112.44 1dgq n THR 164 Ca -0.11 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.11 1dgq n THR 164 Cb 0.63 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 1dgq n THR 164 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1dgq n SER 165 N 4.67 0.00 -4.16 8.00 7.64 -1.26 -4.96 113.62 123.54 1dgq n SER 165 Ca 0.52 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 60.01 1dgq n SER 165 Cb 0.20 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.33 1dgq n SER 165 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1dgq s TYR 166 N -0.97 3.51 -0.58 1.43 2.02 -1.05 -0.24 117.35 121.48 1dgq s TYR 166 Ca 0.00 -2.47 -0.28 0.00 -0.37 0.00 0.00 57.07 53.95 1dgq s TYR 166 Cb 0.00 -3.38 0.02 0.00 -0.40 0.00 0.00 41.96 38.20 1dgq s TYR 166 CO 0.00 -0.89 1.31 -0.65 -1.57 0.00 0.00 175.55 173.75 1dgq s GLN 167 N 0.10 3.39 0.34 -0.62 1.11 0.58 -4.71 119.66 119.85 1dgq s GLN 167 Ca 0.16 0.34 -0.11 0.00 0.01 0.00 0.00 55.36 55.76 1dgq s GLN 167 Cb -0.18 -4.08 -0.07 0.00 -1.01 0.00 0.00 33.01 27.67 1dgq s GLN 167 CO -0.05 -1.84 0.69 -0.06 0.01 0.00 0.00 175.29 174.05 1dgq s PHE 168 N 5.57 3.44 0.06 0.91 0.08 -1.26 -0.39 117.98 126.38 1dgq s PHE 168 Ca 0.48 1.01 -0.04 0.00 0.12 0.00 0.00 56.93 58.49 1dgq s PHE 168 Cb -0.09 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.95 1dgq s PHE 168 CO 0.25 0.05 0.06 0.00 -0.10 0.00 0.00 175.22 175.48 1dgq s ALA 169 N -2.13 0.17 -0.07 5.36 0.00 0.04 -3.35 121.76 121.77 1dgq s ALA 169 Ca 0.50 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1dgq s ALA 169 Cb -0.10 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1dgq s ALA 169 CO 0.26 -0.40 0.19 0.00 0.00 0.00 0.00 175.76 175.81 1dgq s ALA 170 N -3.58 -0.44 -0.17 0.00 0.00 -0.08 -0.70 121.76 116.79 1dgq s ALA 170 Ca 0.03 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1dgq s ALA 170 Cb 0.05 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1dgq s ALA 170 CO -0.09 -0.12 -0.12 0.08 0.00 0.00 0.00 175.76 175.51 1dgq s VAL 171 N 0.50 1.60 0.25 0.00 1.01 0.27 -0.25 120.40 123.77 1dgq s VAL 171 Ca -0.03 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1dgq s VAL 171 Cb -0.05 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 1dgq s VAL 171 CO -0.02 0.32 1.05 -1.58 0.00 0.00 0.00 175.10 174.86 1dgq s GLN 172 N 1.45 4.71 0.05 2.72 0.74 0.37 -1.22 119.66 128.47 1dgq s GLN 172 Ca 0.02 1.68 0.03 0.00 0.05 0.00 0.00 55.36 57.14 1dgq s GLN 172 Cb -0.14 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 1dgq s GLN 172 CO -0.10 0.29 -0.09 -0.59 -0.55 0.00 0.00 175.29 174.25 1dgq s PHE 173 N -1.01 0.80 0.00 1.67 -0.71 -0.09 -0.04 117.98 118.60 1dgq s PHE 173 Ca 0.44 -0.51 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1dgq s PHE 173 Cb -0.29 -0.47 0.00 0.00 -1.21 0.00 0.00 43.02 41.05 1dgq s PHE 173 CO 0.37 -0.05 0.00 0.45 -1.34 0.00 0.00 175.22 174.65 1dgq n SER 174 N 1.36 0.00 -0.32 1.98 2.88 -1.26 0.02 113.62 118.28 1dgq n SER 174 Ca -0.22 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.42 1dgq n SER 174 Cb 0.55 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.84 -2.28 2.46 2.02 -1.81 0.17 112.91 114.32 1dgq h THR 175 Ca 0.00 -0.28 -0.57 0.00 0.77 0.00 0.00 66.41 66.33 1dgq h THR 175 Cb 0.00 -0.05 -0.14 0.00 -1.74 0.00 0.00 68.15 66.22 1dgq h THR 175 CO 0.00 0.15 -0.72 -0.94 0.37 0.00 0.00 175.52 174.38 1dgq s SER 176 N -5.68 3.37 0.29 4.18 1.04 -1.26 -4.54 113.70 111.11 1dgq s SER 176 Ca -0.11 -1.11 -0.05 0.00 0.48 0.00 0.00 55.95 55.16 1dgq s SER 176 Cb 0.23 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 1dgq s SER 176 CO 0.80 -0.13 0.55 -0.72 0.98 0.00 0.00 173.24 174.72 1dgq s TYR 177 N -2.68 3.48 -0.26 5.02 -0.85 -1.26 -4.39 117.35 116.40 1dgq s TYR 177 Ca 0.30 0.63 -0.01 0.00 -0.52 0.00 0.00 57.07 57.47 1dgq s TYR 177 Cb -0.01 -2.10 0.14 0.00 0.38 0.00 0.00 41.96 40.38 1dgq s TYR 177 CO 0.14 0.17 0.39 0.21 -1.52 0.00 0.00 175.55 174.93 1dgq s LYS 178 N -3.59 0.37 -0.23 -3.49 2.20 0.94 -4.97 119.74 110.98 1dgq s LYS 178 Ca 0.44 0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 56.12 1dgq s LYS 178 Cb -0.11 -0.42 -0.08 0.00 -1.51 0.00 0.00 37.83 35.71 1dgq s LYS 178 CO 0.30 -0.78 2.16 2.41 -0.36 0.00 0.00 175.35 179.08 1dgq n THR 179 N 5.36 0.35 0.04 3.43 -1.04 -1.26 -0.48 114.28 120.68 1dgq n THR 179 Ca -0.02 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 1dgq n THR 179 Cb 0.50 -2.21 -0.09 0.00 -1.82 0.00 0.00 70.33 66.70 1dgq n THR 179 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1dgq h GLU 180 N 13.41 -0.13 -2.26 -2.82 5.08 -0.96 -3.47 114.58 123.41 1dgq h GLU 180 Ca -0.38 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1dgq h GLU 180 Cb 1.27 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.38 1dgq h GLU 180 CO 0.97 0.27 0.28 -0.59 -1.00 0.00 0.00 179.01 178.94 1dgq s PHE 181 N -4.37 -0.55 0.48 4.33 -0.12 -1.04 -4.77 117.98 111.94 1dgq s PHE 181 Ca -0.15 0.72 0.06 0.00 -0.05 0.00 0.00 56.93 57.52 1dgq s PHE 181 Cb 0.02 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1dgq s PHE 181 CO 0.61 -0.64 0.35 -0.51 -0.05 0.00 0.00 175.22 174.99 1dgq s ASP 182 N -1.78 4.70 0.15 1.98 1.01 -1.26 -0.90 116.67 120.56 1dgq s ASP 182 Ca -0.04 -1.08 -0.25 0.00 0.71 0.00 0.00 52.55 51.89 1dgq s ASP 182 Cb -0.00 -0.03 0.02 0.00 1.01 0.00 0.00 42.92 43.91 1dgq s ASP 182 CO -0.00 -0.87 1.60 -0.26 0.21 0.00 0.00 175.17 175.85 1dgq h PHE 183 N 0.97 -0.96 -0.55 4.23 0.04 -1.55 -0.50 116.94 118.62 1dgq h PHE 183 Ca -0.39 0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.54 1dgq h PHE 183 Cb 1.28 0.46 -0.11 0.00 2.20 0.00 0.00 35.95 39.79 1dgq h PHE 183 CO 0.78 -0.40 -0.18 0.66 -0.60 0.00 0.00 178.31 178.57 1dgq h SER 184 N -0.33 -0.64 -0.01 2.17 4.64 -0.95 0.16 113.55 118.58 1dgq h SER 184 Ca 0.14 0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.66 1dgq h SER 184 Cb 0.55 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 1dgq h SER 184 CO -0.47 -0.22 -0.22 0.44 -0.87 0.00 0.00 176.83 175.50 1dgq h ASP 185 N -0.05 -0.64 -0.25 4.97 3.32 -1.53 0.18 116.42 122.42 1dgq h ASP 185 Ca 0.26 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.45 1dgq h ASP 185 Cb 0.45 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 1dgq h ASP 185 CO -0.59 -0.28 -0.08 0.22 -1.72 0.00 0.00 179.24 176.79 1dgq h TYR 186 N -0.34 -0.17 -0.86 4.55 3.20 -0.40 0.56 116.97 123.50 1dgq h TYR 186 Ca 0.06 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1dgq h TYR 186 Cb 0.42 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1dgq h TYR 186 CO -0.26 -0.13 0.53 0.28 -1.64 0.00 0.00 178.16 176.94 1dgq h VAL 187 N -0.02 1.01 0.47 1.81 2.07 -0.23 0.33 116.25 121.69 1dgq h VAL 187 Ca 0.13 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1dgq h VAL 187 Cb 0.21 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1dgq h VAL 187 CO -0.27 0.17 -0.23 0.50 0.02 0.00 0.00 177.57 177.76 1dgq h LYS 188 N 0.95 -0.61 0.11 1.57 3.64 -0.04 -3.39 116.57 118.80 1dgq h LYS 188 Ca 0.39 0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.47 1dgq h LYS 188 Cb 0.22 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1dgq h LYS 188 CO -0.19 -0.32 -1.79 -1.49 -2.27 0.00 0.00 179.45 173.39 1dgq h TRP 189 N -1.03 0.44 -0.56 1.91 4.06 -0.78 -3.48 115.95 116.51 1dgq h TRP 189 Ca -0.06 -0.32 -0.15 0.00 2.06 0.00 0.00 58.89 60.41 1dgq h TRP 189 Cb 0.58 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.66 1dgq h TRP 189 CO 0.01 1.54 -0.14 1.63 -3.56 0.00 0.00 178.44 177.93 1dgq n LYS 190 N -3.42 -1.71 -3.96 0.49 4.76 0.11 -4.93 118.16 109.50 1dgq n LYS 190 Ca -0.24 0.65 -0.33 0.00 -2.87 0.00 0.00 58.31 55.52 1dgq n LYS 190 Cb 1.05 -4.81 -0.14 0.00 -1.84 0.00 0.00 35.03 29.29 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 -1.93 4.80 0.20 4.39 -1.08 -1.26 -5.01 116.67 116.78 1dgq s ASP 191 Ca 0.00 -1.72 -0.12 0.00 -0.52 0.00 0.00 52.55 50.18 1dgq s ASP 191 Cb 0.00 -1.66 0.24 0.00 -1.46 0.00 0.00 42.92 40.04 1dgq s ASP 191 CO 0.00 -0.33 1.67 -0.65 0.52 0.00 0.00 175.17 176.38 1dgq h PRO 192 N 7.82 0.09 -0.11 4.34 0.11 -1.94 -0.94 132.00 141.38 1dgq h PRO 192 Ca -0.14 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.99 1dgq h PRO 192 Cb 1.04 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1dgq h PRO 192 CO 0.54 0.06 -0.05 0.22 -0.21 0.00 0.00 178.00 178.56 1dgq h ASP 193 N 0.10 -0.15 -0.36 -2.05 3.58 -1.97 0.25 116.42 115.81 1dgq h ASP 193 Ca 0.29 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.82 1dgq h ASP 193 Cb 0.45 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 1dgq h ASP 193 CO -0.49 -0.06 0.11 0.00 -2.88 0.00 0.00 179.24 175.92 1dgq h ALA 194 N 1.07 0.42 -0.74 -0.78 0.00 -1.82 0.16 119.26 117.57 1dgq h ALA 194 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1dgq h ALA 194 Cb 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1dgq h ALA 194 CO -0.13 -0.28 0.33 -0.07 0.00 0.00 0.00 179.25 179.10 1dgq h LEU 195 N 0.26 0.99 0.00 0.00 3.38 -0.72 -3.06 115.31 116.15 1dgq h LEU 195 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dgq h LEU 195 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1dgq h LEU 195 CO -0.18 0.86 -0.26 -0.07 0.09 0.00 0.00 178.44 178.87 1dgq h LEU 196 N 1.07 0.00 -1.80 1.67 3.38 0.44 -3.32 115.31 116.75 1dgq h LEU 196 Ca 0.25 -0.08 0.34 0.00 0.09 0.00 0.00 57.88 58.48 1dgq h LEU 196 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1dgq h LEU 196 CO -0.03 0.04 0.82 0.11 0.09 0.00 0.00 178.44 179.47 1dgq h LYS 197 N 0.00 0.11 0.00 1.13 1.57 -0.89 0.20 116.57 118.68 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 0.77 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1dgq h LYS 197 CO 0.00 0.07 0.00 1.58 -0.57 0.00 0.00 179.45 180.53 1dgq n HIS 198 N -4.32 0.00 -1.97 -1.35 -0.00 -1.25 -4.61 115.22 101.72 1dgq n HIS 198 Ca 0.27 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.15 1dgq n HIS 198 Cb 1.18 -0.24 -0.04 0.00 -0.12 0.00 0.00 29.99 30.77 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 -2.48 3.35 -0.68 3.57 1.01 0.05 -4.88 120.40 120.34 1dgq s VAL 199 Ca 0.16 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1dgq s VAL 199 Cb 0.10 -3.83 0.15 0.00 0.00 0.00 0.00 36.38 32.80 1dgq s VAL 199 CO 0.22 -0.79 0.69 -0.54 0.00 0.00 0.00 175.10 174.68 1dgq s LYS 200 N 7.28 3.25 -0.09 2.72 -0.14 -1.26 -5.03 119.74 126.47 1dgq s LYS 200 Ca 0.73 -1.87 -0.32 0.00 -1.36 0.00 0.00 55.97 53.16 1dgq s LYS 200 Cb -0.10 -4.38 -0.09 0.00 -1.68 0.00 0.00 37.83 31.57 1dgq s LYS 200 CO 0.09 -1.40 2.01 1.58 -0.76 0.00 0.00 175.35 176.87 1dgq n HIS 201 N 5.20 2.27 0.03 3.18 -0.00 -1.26 -4.90 115.22 119.74 1dgq n HIS 201 Ca -0.01 -0.15 -0.13 0.00 0.46 0.00 0.00 57.72 57.89 1dgq n HIS 201 Cb 0.44 -2.72 -0.09 0.00 -0.12 0.00 0.00 29.99 27.49 1dgq n HIS 201 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1dgq h MET 202 N 11.18 -0.09 -4.92 1.57 2.86 -1.95 -3.48 114.93 120.11 1dgq h MET 202 Ca -0.46 0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 56.91 1dgq h MET 202 Cb 1.26 0.02 0.13 0.00 0.06 0.00 0.00 31.60 33.07 1dgq h MET 202 CO 0.95 0.30 -0.60 1.28 1.06 0.00 0.00 176.91 179.90 1dgq n LEU 203 N -4.95 -3.51 0.00 1.22 4.77 0.46 -4.91 117.00 110.08 1dgq n LEU 203 Ca -0.08 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1dgq n LEU 203 Cb 0.22 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 1dgq n LEU 203 CO 0.32 0.36 0.00 0.18 -1.33 0.00 0.00 177.39 176.92 1dgq n LEU 204 N -3.66 0.00 0.00 2.23 4.77 -1.24 -3.63 117.00 115.46 1dgq n LEU 204 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1dgq n LEU 204 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1dgq n LEU 204 CO 0.50 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.74 1dgq n LEU 205 N 0.00 0.00 -3.31 2.23 4.77 -1.26 -1.39 117.00 118.04 1dgq n LEU 205 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1dgq n LEU 205 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1dgq n LEU 205 CO 0.00 0.00 -0.22 -0.89 -1.33 0.00 0.00 177.39 174.95 1dgq s THR 206 N 0.65 -0.03 -1.36 -5.08 2.01 -1.24 -2.90 115.64 107.69 1dgq s THR 206 Ca 0.00 -1.89 -0.06 0.00 0.31 0.00 0.00 61.69 60.05 1dgq s THR 206 Cb 0.00 -0.93 0.10 0.00 0.01 0.00 0.00 72.50 71.68 1dgq s THR 206 CO 0.00 -0.88 2.42 -3.20 -0.69 0.00 0.00 174.62 172.26 1dgq n ASN 207 N 3.39 7.91 0.23 3.53 2.85 0.59 -0.40 115.26 133.34 1dgq n ASN 207 Ca 0.21 -3.07 -0.15 0.00 -0.11 0.00 0.00 54.58 51.45 1dgq n ASN 207 Cb 0.46 -1.39 -0.08 0.00 1.24 0.00 0.00 39.78 40.01 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 2.74 0.62 -0.29 -0.44 2.02 -1.91 0.32 112.91 115.97 1dgq h THR 208 Ca 0.70 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.86 1dgq h THR 208 Cb 0.32 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1dgq h THR 208 CO 1.53 0.00 0.08 -0.26 0.37 0.00 0.00 175.52 177.24 1dgq h PHE 209 N -0.51 0.48 -0.52 3.16 -1.00 -1.87 0.20 116.94 116.87 1dgq h PHE 209 Ca -0.05 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.73 1dgq h PHE 209 Cb 0.39 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.77 1dgq h PHE 209 CO -0.05 0.51 0.24 0.78 -1.61 0.00 0.00 178.31 178.17 1dgq h GLY 210 N 0.31 0.72 1.06 -1.45 0.00 -1.80 0.57 103.07 102.48 1dgq h GLY 210 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1dgq h GLY 210 CO -0.00 0.08 0.17 0.00 0.00 0.00 0.00 176.54 176.79 1dgq h ALA 211 N 1.30 0.94 -0.24 3.60 0.00 -0.39 0.62 119.26 125.08 1dgq h ALA 211 Ca 0.24 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dgq h ALA 211 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dgq h ALA 211 CO -0.19 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.68 1dgq h ILE 212 N 1.08 1.02 -0.30 0.00 2.04 -0.07 0.15 117.51 121.43 1dgq h ILE 212 Ca 0.22 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1dgq h ILE 212 Cb 0.37 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1dgq h ILE 212 CO 0.00 0.05 0.16 0.78 0.00 0.00 0.00 178.15 179.15 1dgq h ASN 213 N 0.28 0.26 -0.16 1.72 2.35 -0.45 0.11 115.58 119.69 1dgq h ASN 213 Ca 0.10 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1dgq h ASN 213 Cb 0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 1dgq h ASN 213 CO -0.05 0.19 -0.30 0.22 -1.65 0.00 0.00 177.43 175.84 1dgq h TYR 214 N 0.34 -0.82 -0.06 1.19 3.20 -0.59 -1.19 116.97 119.04 1dgq h TYR 214 Ca 0.12 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1dgq h TYR 214 Cb 0.01 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1dgq h TYR 214 CO -0.08 -0.38 -0.20 0.28 -1.64 0.00 0.00 178.16 176.14 1dgq h VAL 215 N -0.36 0.51 -0.64 1.81 2.07 -0.67 0.25 116.25 119.23 1dgq h VAL 215 Ca 0.11 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.76 1dgq h VAL 215 Cb 0.52 0.51 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1dgq h VAL 215 CO -0.36 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.29 1dgq h ALA 216 N 0.65 0.69 0.04 1.67 0.00 -0.19 -0.41 119.26 121.71 1dgq h ALA 216 Ca 0.08 0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.81 1dgq h ALA 216 Cb 0.40 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1dgq h ALA 216 CO -0.23 -0.37 -2.01 0.25 0.00 0.00 0.00 179.25 176.89 1dgq n THR 217 N -5.23 1.60 -0.09 0.00 -2.24 -0.51 -4.27 114.28 103.53 1dgq n THR 217 Ca 0.10 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 1dgq n THR 217 Cb 0.37 -1.79 -0.12 0.00 -2.10 0.00 0.00 70.33 66.70 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 -3.86 0.62 -0.04 -0.78 -0.58 0.86 -4.60 120.64 112.26 1dgq n GLU 218 Ca -0.40 0.39 -0.15 0.00 -0.42 0.00 0.00 57.16 56.58 1dgq n GLU 218 Cb 0.90 -1.65 -0.13 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.67 1.67 -0.00 2.62 2.07 -1.27 -3.37 116.25 117.30 1dgq h VAL 219 Ca -0.48 -2.23 -0.67 0.00 0.82 0.00 0.00 66.70 64.14 1dgq h VAL 219 Cb 1.60 3.16 0.02 0.00 -1.52 0.00 0.00 31.29 34.56 1dgq h VAL 219 CO -0.19 0.60 2.54 0.49 0.02 0.00 0.00 177.57 181.02 1dgq n PHE 220 N -4.52 2.34 -4.54 1.57 3.72 -0.23 -4.72 117.46 111.08 1dgq n PHE 220 Ca -0.11 -2.14 -0.21 0.00 -0.05 0.00 0.00 57.45 54.94 1dgq n PHE 220 Cb 0.53 -1.95 -0.15 0.00 -0.94 0.00 0.00 39.48 36.97 1dgq n PHE 220 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1dgq s ARG 221 N 4.49 1.06 0.24 -1.08 0.52 -1.26 -4.83 118.95 118.10 1dgq s ARG 221 Ca 0.54 -0.42 -0.04 0.00 -0.52 0.00 0.00 55.73 55.29 1dgq s ARG 221 Cb 0.14 -1.00 0.41 0.00 0.52 0.00 0.00 34.95 35.02 1dgq s ARG 221 CO 0.06 0.23 1.79 0.93 0.02 0.00 0.00 175.30 178.33 1dgq h GLU 222 N 6.00 0.70 -0.87 3.54 5.08 -1.89 -0.40 114.58 126.74 1dgq h GLU 222 Ca -0.33 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1dgq h GLU 222 Cb 1.17 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.19 1dgq h GLU 222 CO 0.49 0.46 0.57 1.05 -1.00 0.00 0.00 179.01 180.58 1dgq h GLU 223 N 0.72 0.51 -0.01 2.33 4.11 -1.96 0.19 114.58 120.47 1dgq h GLU 223 Ca 0.40 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1dgq h GLU 223 Cb 0.42 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1dgq h GLU 223 CO -0.27 0.34 -0.02 1.28 0.07 0.00 0.00 179.01 180.40 1dgq n LEU 224 N -4.53 1.21 0.00 3.06 4.77 -0.32 -4.91 117.00 116.28 1dgq n LEU 224 Ca 0.18 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1dgq n LEU 224 Cb 0.58 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1dgq n LEU 224 CO 0.30 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1dgq n GLY 225 N 1.16 1.13 3.56 -0.72 0.00 0.67 -0.35 105.19 110.63 1dgq n GLY 225 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.01 4.61 0.00 -0.31 -4.62 121.76 121.72 1dgq s ALA 226 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1dgq s ALA 226 Cb 0.00 -4.46 -0.07 0.00 0.00 0.00 0.00 23.12 18.59 1dgq s ALA 226 CO 0.00 -4.00 1.76 1.03 0.00 0.00 0.00 175.76 174.55 1dgq s ARG 227 N 6.09 4.17 0.36 0.00 0.52 -1.26 -3.88 118.95 124.94 1dgq s ARG 227 Ca 0.55 2.35 0.06 0.00 -0.52 0.00 0.00 55.73 58.18 1dgq s ARG 227 Cb -0.05 -4.00 0.67 0.00 0.52 0.00 0.00 34.95 32.09 1dgq s ARG 227 CO 0.02 -0.87 1.89 -1.00 0.02 0.00 0.00 175.30 175.36 1dgq h PRO 228 N 9.74 0.41 0.00 3.54 0.13 -1.99 -0.58 132.00 143.25 1dgq h PRO 228 Ca -0.43 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1dgq h PRO 228 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1dgq h PRO 228 CO 0.95 0.48 0.00 -0.40 -0.23 0.00 0.00 178.00 178.80 1dgq n ASP 229 N -4.28 0.00 -4.86 1.44 5.75 -1.26 -4.76 116.55 108.58 1dgq n ASP 229 Ca 0.01 -0.61 -0.34 0.00 -0.01 0.00 0.00 54.79 53.83 1dgq n ASP 229 Cb 0.26 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 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 -2.12 3.59 0.10 2.12 0.00 -0.23 -4.55 121.76 120.67 1dgq s ALA 230 Ca 0.33 -0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1dgq s ALA 230 Cb 0.16 -2.46 -0.10 0.00 0.00 0.00 0.00 23.12 20.72 1dgq s ALA 230 CO 0.30 0.49 1.87 2.41 0.00 0.00 0.00 175.76 180.82 1dgq n THR 231 N 0.52 0.46 -2.11 0.00 -1.04 0.45 -4.57 114.28 107.98 1dgq n THR 231 Ca -0.04 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 1dgq n THR 231 Cb 0.52 -2.16 -0.01 0.00 -1.82 0.00 0.00 70.33 66.86 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 6.06 2.79 -3.41 -2.82 4.76 -1.26 -0.36 118.16 123.91 1dgq n LYS 232 Ca 0.19 -2.84 -0.38 0.00 -2.87 0.00 0.00 58.31 52.40 1dgq n LYS 232 Cb 0.38 -3.40 -0.07 0.00 -1.84 0.00 0.00 35.03 30.10 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 4.56 5.22 -0.31 -0.18 1.01 0.22 -0.48 120.40 130.44 1dgq s VAL 233 Ca 0.53 0.69 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1dgq s VAL 233 Cb 0.08 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.83 1dgq s VAL 233 CO 0.03 0.29 0.02 -0.22 0.00 0.00 0.00 175.10 175.22 1dgq s LEU 234 N 1.06 3.99 -0.55 3.92 2.96 0.37 -0.57 118.68 129.85 1dgq s LEU 234 Ca 0.19 -1.87 -0.18 0.00 -0.22 0.00 0.00 54.13 52.05 1dgq s LEU 234 Cb -0.14 -1.47 0.09 0.00 0.50 0.00 0.00 46.19 45.17 1dgq s LEU 234 CO 0.07 -0.34 0.63 -0.63 -1.32 0.00 0.00 176.35 174.77 1dgq s ILE 235 N 1.08 4.91 -0.24 6.68 1.01 0.34 -0.59 121.20 134.39 1dgq s ILE 235 Ca 0.06 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1dgq s ILE 235 Cb -0.19 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.89 1dgq s ILE 235 CO -0.10 -0.97 0.94 -0.63 0.00 0.00 0.00 174.94 174.18 1dgq s ILE 236 N 2.46 4.76 -0.22 2.92 1.09 0.49 -0.51 121.20 132.19 1dgq s ILE 236 Ca 0.11 1.80 -0.05 0.00 -1.10 0.00 0.00 60.65 61.41 1dgq s ILE 236 Cb -0.23 -4.21 -0.01 0.00 -1.06 0.00 0.00 42.46 36.94 1dgq s ILE 236 CO 0.07 -0.13 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.14 1dgq s ILE 237 N 3.02 3.64 -0.04 2.92 1.01 -0.10 -0.61 121.20 131.04 1dgq s ILE 237 Ca 0.39 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 1dgq s ILE 237 Cb -0.15 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1dgq s ILE 237 CO 0.07 0.41 0.23 0.28 0.00 0.00 0.00 174.94 175.92 1dgq s THR 238 N 1.41 0.04 -0.25 2.92 -1.32 -0.17 -0.37 115.64 117.90 1dgq s THR 238 Ca 0.05 -0.35 0.16 0.00 -1.21 0.00 0.00 61.69 60.34 1dgq s THR 238 Cb -0.14 -0.44 0.45 0.00 -1.51 0.00 0.00 72.50 70.85 1dgq s THR 238 CO -0.01 -0.19 1.34 -0.90 -2.21 0.00 0.00 174.62 172.65 1dgq n ASP 239 N 2.03 3.46 -3.85 8.08 5.75 -1.26 -0.54 116.55 130.22 1dgq n ASP 239 Ca -0.18 -2.88 -0.12 0.00 -0.01 0.00 0.00 54.79 51.60 1dgq n ASP 239 Cb 0.57 -0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.96 -0.03 0.72 6.12 0.00 -1.26 -4.00 107.32 106.92 1dgq s GLY 240 Ca 0.37 0.13 -0.16 0.00 0.00 0.00 0.00 44.72 45.06 1dgq s GLY 240 CO 0.08 0.04 0.90 1.18 0.00 0.00 0.00 173.10 175.30 1dgq n GLU 241 N 2.24 0.46 -1.97 2.90 4.71 -1.26 -4.88 120.64 122.83 1dgq n GLU 241 Ca -0.18 0.21 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 1dgq n GLU 241 Cb 0.57 -2.16 -0.04 0.00 -1.01 0.00 0.00 31.44 28.81 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 -1.85 1.94 0.43 0.62 0.00 -1.26 -4.68 121.76 116.96 1dgq s ALA 242 Ca 0.72 -0.79 0.33 0.00 0.00 0.00 0.00 51.96 52.22 1dgq s ALA 242 Cb -0.34 -4.38 1.72 0.00 0.00 0.00 0.00 23.12 20.12 1dgq s ALA 242 CO 0.52 -4.25 2.15 1.79 0.00 0.00 0.00 175.76 175.96 1dgq h THR 243 N 7.09 0.30 0.00 0.00 1.35 -1.07 -3.09 112.91 117.48 1dgq h THR 243 Ca -0.16 -0.36 -0.14 0.00 -0.55 0.00 0.00 66.41 65.20 1dgq h THR 243 Cb 1.13 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1dgq h THR 243 CO 1.20 0.06 -0.77 -2.24 -0.25 0.00 0.00 175.52 173.52 1dgq h ASP 244 N 0.00 0.00 -6.19 5.36 2.03 -1.88 -3.49 116.42 112.24 1dgq h ASP 244 Ca -0.00 -0.67 -0.32 0.00 -0.73 0.00 0.00 57.03 55.31 1dgq h ASP 244 Cb 0.26 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.78 1dgq h ASP 244 CO 0.01 1.29 -0.71 -1.20 -1.03 0.00 0.00 179.24 177.59 1dgq n SER 245 N -4.51 -5.89 0.00 4.15 7.64 -1.17 -5.02 113.62 108.82 1dgq n SER 245 Ca -0.23 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1dgq n SER 245 Cb 0.59 -3.24 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 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 -1.71 0.53 3.33 0.23 0.00 -1.26 -5.09 105.19 101.22 1dgq n GLY 246 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.63 2.14 0.00 1.61 2.20 -1.26 -5.07 114.94 113.94 1dgq s ASN 247 Ca 0.00 -1.11 0.13 0.00 -0.94 0.00 0.00 52.86 50.95 1dgq s ASN 247 Cb 0.00 -0.06 0.22 0.00 -2.00 0.00 0.00 41.25 39.41 1dgq s ASN 247 CO 0.00 -0.35 1.07 2.30 -2.94 0.00 0.00 177.10 177.18 1dgq n ILE 248 N -0.37 0.00 -0.37 0.54 -5.35 -1.26 -4.63 119.36 107.92 1dgq n ILE 248 Ca -0.07 -0.51 0.04 0.00 -0.27 0.00 0.00 62.75 61.93 1dgq n ILE 248 Cb 0.62 0.74 0.20 0.00 -1.74 0.00 0.00 39.64 39.46 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 0.51 1.01 -1.26 7.28 5.19 -1.98 0.12 116.42 127.30 1dgq h ASP 249 Ca -0.14 0.02 0.37 0.00 -0.62 0.00 0.00 57.03 56.66 1dgq h ASP 249 Cb 1.64 -0.19 -0.10 0.00 0.18 0.00 0.00 39.33 40.86 1dgq h ASP 249 CO 0.04 0.61 0.84 0.00 -3.12 0.00 0.00 179.24 177.61 1dgq h ALA 250 N 1.48 2.73 -0.48 3.45 0.00 -1.97 -0.78 119.26 123.68 1dgq h ALA 250 Ca 0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1dgq h ALA 250 Cb 0.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1dgq h ALA 250 CO -0.20 -1.22 0.00 0.00 0.00 0.00 0.00 179.25 177.83 1dgq n ALA 251 N -2.58 2.32 -0.32 0.00 0.00 0.38 -4.74 120.51 115.57 1dgq n ALA 251 Ca 0.32 -1.27 0.18 0.00 0.00 0.00 0.00 53.44 52.66 1dgq n ALA 251 Cb 1.26 -0.63 0.43 0.00 0.00 0.00 0.00 19.45 20.51 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 2.82 0.54 0.00 0.00 2.10 -0.88 0.11 116.57 121.26 1dgq h LYS 252 Ca 0.00 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 1dgq h LYS 252 Cb 0.88 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.07 1dgq h LYS 252 CO 0.02 0.36 -0.66 0.22 -2.00 0.00 0.00 179.45 177.39 1dgq h ASP 253 N 0.56 0.00 -3.94 7.07 3.58 -1.85 -3.46 116.42 118.38 1dgq h ASP 253 Ca 0.56 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.53 1dgq h ASP 253 Cb 1.16 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.23 1dgq h ASP 253 CO -0.31 0.66 0.42 -0.63 -2.88 0.00 0.00 179.24 176.50 1dgq s ILE 254 N -3.07 3.71 -0.93 2.25 1.01 0.37 -4.95 121.20 119.59 1dgq s ILE 254 Ca 0.02 1.37 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 1dgq s ILE 254 Cb 0.10 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.88 1dgq s ILE 254 CO 0.76 0.06 1.36 -0.63 0.00 0.00 0.00 174.94 176.50 1dgq s ILE 255 N -1.59 3.94 -0.93 2.92 -1.09 0.37 -4.83 121.20 119.99 1dgq s ILE 255 Ca 0.56 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 58.23 1dgq s ILE 255 Cb -0.23 -4.99 -0.01 0.00 -1.58 0.00 0.00 42.46 35.65 1dgq s ILE 255 CO 0.29 -1.87 1.75 -0.13 -1.23 0.00 0.00 174.94 173.75 1dgq s ARG 256 N 4.97 2.95 0.07 2.79 3.00 -1.26 -0.48 118.95 130.98 1dgq s ARG 256 Ca 0.41 -0.56 -0.27 0.00 0.00 0.00 0.00 55.73 55.31 1dgq s ARG 256 Cb -0.03 -5.13 -0.05 0.00 0.00 0.00 0.00 34.95 29.74 1dgq s ARG 256 CO -0.03 -2.91 0.85 -0.47 0.00 0.00 0.00 175.30 172.75 1dgq s TYR 257 N 8.11 3.76 -0.02 -0.53 6.14 0.24 -1.28 117.35 133.78 1dgq s TYR 257 Ca 0.61 1.61 0.02 0.00 0.64 0.00 0.00 57.07 59.95 1dgq s TYR 257 Cb -0.04 -2.93 0.00 0.00 0.42 0.00 0.00 41.96 39.41 1dgq s TYR 257 CO -0.03 0.23 -0.07 -1.50 0.64 0.00 0.00 175.55 174.82 1dgq s ILE 258 N 0.01 0.58 -0.23 3.14 2.07 0.28 -0.38 121.20 126.67 1dgq s ILE 258 Ca 0.42 -0.27 -0.02 0.00 -1.41 0.00 0.00 60.65 59.37 1dgq s ILE 258 Cb -0.22 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 41.87 1dgq s ILE 258 CO 0.26 0.18 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.78 1dgq s ILE 259 N 0.09 3.04 -0.47 2.00 1.09 0.22 -0.62 121.20 126.56 1dgq s ILE 259 Ca -0.01 -0.80 -0.17 0.00 -1.10 0.00 0.00 60.65 58.57 1dgq s ILE 259 Cb -0.06 -2.46 0.05 0.00 -1.06 0.00 0.00 42.46 38.93 1dgq s ILE 259 CO -0.00 0.31 0.46 -0.83 -0.10 0.00 0.00 174.94 174.78 1dgq s GLY 260 N 1.39 1.93 0.33 6.18 0.00 0.33 -1.00 107.32 116.48 1dgq s GLY 260 Ca 0.03 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.61 1dgq s GLY 260 CO -0.05 1.18 1.37 -0.42 0.00 0.00 0.00 173.10 175.19 1dgq s ILE 261 N 2.03 2.55 -0.87 0.90 -1.09 0.30 0.07 121.20 125.09 1dgq s ILE 261 Ca 0.09 0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.97 1dgq s ILE 261 Cb -0.21 -3.34 -0.15 0.00 -1.58 0.00 0.00 42.46 37.18 1dgq s ILE 261 CO 0.10 0.12 3.01 0.61 -1.23 0.00 0.00 174.94 177.55 1dgq n GLY 262 N 0.97 3.51 0.52 6.18 0.00 0.45 -2.98 105.19 113.84 1dgq n GLY 262 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1dgq n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgq n LYS 263 N 3.24 0.00 0.22 1.61 4.76 -1.26 -4.53 118.16 122.19 1dgq n LYS 263 Ca 0.58 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 56.15 1dgq n LYS 263 Cb 0.46 -0.15 0.25 0.00 -1.84 0.00 0.00 35.03 33.76 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 0.00 0.00 -0.53 2.13 3.86 -1.69 -3.18 115.15 115.74 1dgq h HIS 264 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1dgq h HIS 264 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1dgq h HIS 264 CO 0.00 0.00 0.02 1.19 0.86 0.00 0.00 177.93 180.00 1dgq n PHE 265 N -3.05 1.90 -0.13 2.45 3.72 -1.16 -3.86 117.46 117.34 1dgq n PHE 265 Ca 0.04 -0.69 -0.11 0.00 -0.05 0.00 0.00 57.45 56.64 1dgq n PHE 265 Cb 0.49 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 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 3.47 0.92 -6.04 -1.08 1.08 -1.78 -3.42 115.11 108.25 1dgq h GLN 266 Ca 0.02 -0.43 -0.58 0.00 -1.45 0.00 0.00 58.65 56.21 1dgq h GLN 266 Cb 1.86 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 29.21 1dgq h GLN 266 CO 0.46 1.08 0.74 0.95 -0.95 0.00 0.00 178.83 181.12 1dgq s THR 267 N -4.54 4.70 0.26 -0.54 -4.23 -1.25 -4.94 115.64 105.10 1dgq s THR 267 Ca -0.11 1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 62.31 1dgq s THR 267 Cb 0.12 -4.28 0.25 0.00 1.34 0.00 0.00 72.50 69.93 1dgq s THR 267 CO 0.87 -0.19 1.72 0.50 -0.54 0.00 0.00 174.62 176.98 1dgq h LYS 268 N 7.55 0.42 -0.88 3.99 3.64 -1.93 0.24 116.57 129.60 1dgq h LYS 268 Ca -0.20 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.32 1dgq h LYS 268 Cb 1.07 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.69 1dgq h LYS 268 CO 0.96 0.28 0.46 1.05 -2.27 0.00 0.00 179.45 179.93 1dgq h GLU 269 N 0.43 0.60 -0.02 1.90 4.11 -1.97 0.64 114.58 120.28 1dgq h GLU 269 Ca 0.48 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.86 1dgq h GLU 269 Cb 0.80 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1dgq h GLU 269 CO -0.46 0.40 -0.01 0.77 0.07 0.00 0.00 179.01 179.77 1dgq h SER 270 N 0.62 0.04 -0.56 3.06 0.02 -0.87 -3.21 113.55 112.65 1dgq h SER 270 Ca 0.50 -0.45 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1dgq h SER 270 Cb 0.75 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.17 1dgq h SER 270 CO -0.39 0.48 -0.17 1.56 -1.14 0.00 0.00 176.83 177.17 1dgq h GLN 271 N -0.39 -0.04 -0.86 3.45 4.20 -0.20 -0.73 115.11 120.54 1dgq h GLN 271 Ca 0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 1dgq h GLN 271 Cb 0.47 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 1dgq h GLN 271 CO 0.00 -0.02 0.58 0.93 -0.67 0.00 0.00 178.83 179.65 1dgq h GLU 272 N -0.04 0.29 -0.41 1.46 5.08 -0.92 -1.04 114.58 119.00 1dgq h GLU 272 Ca 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1dgq h GLU 272 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1dgq h GLU 272 CO -0.59 0.19 0.14 1.79 -1.00 0.00 0.00 179.01 179.54 1dgq h THR 273 N 0.30 1.21 -0.83 1.13 1.35 -1.14 -2.98 112.91 111.96 1dgq h THR 273 Ca 0.43 -0.68 0.15 0.00 -0.55 0.00 0.00 66.41 65.76 1dgq h THR 273 Cb 1.23 0.88 -0.09 0.00 -1.73 0.00 0.00 68.15 68.44 1dgq h THR 273 CO -0.13 0.24 0.41 -0.07 -0.25 0.00 0.00 175.52 175.73 1dgq h LEU 274 N 0.52 0.48 -1.61 3.87 3.38 -1.21 0.72 115.31 121.46 1dgq h LEU 274 Ca 0.13 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.38 1dgq h LEU 274 Cb 0.24 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1dgq h LEU 274 CO -0.01 0.20 0.54 0.45 0.09 0.00 0.00 178.44 179.71 1dgq h HIS 275 N 0.58 0.44 -0.01 1.13 3.86 -1.51 0.17 115.15 119.81 1dgq h HIS 275 Ca 0.45 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.43 1dgq h HIS 275 Cb 0.65 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.99 1dgq h HIS 275 CO -0.11 0.14 -0.97 0.87 0.86 0.00 0.00 177.93 178.73 1dgq h LYS 276 N 0.35 0.56 -0.18 2.45 1.57 -0.93 -3.30 116.57 117.09 1dgq h LYS 276 Ca 0.40 -0.59 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1dgq h LYS 276 Cb 1.04 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1dgq h LYS 276 CO -0.12 1.21 -0.20 0.74 -0.57 0.00 0.00 179.45 180.51 1dgq h PHE 277 N 0.32 0.55 -3.56 -1.35 0.04 -0.82 -3.46 116.94 108.66 1dgq h PHE 277 Ca -0.10 -0.17 -0.46 0.00 2.80 0.00 0.00 57.97 60.05 1dgq h PHE 277 Cb 1.61 -0.11 0.20 0.00 2.20 0.00 0.00 35.95 39.85 1dgq h PHE 277 CO 0.08 0.83 0.08 0.00 -0.60 0.00 0.00 178.31 178.70 1dgq s ALA 278 N -4.28 0.13 0.65 2.45 0.00 0.39 -4.79 121.76 116.31 1dgq s ALA 278 Ca -0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1dgq s ALA 278 Cb 0.06 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1dgq s ALA 278 CO 0.78 -3.47 1.06 -1.12 0.00 0.00 0.00 175.76 173.00 1dgq s SER 279 N -2.69 5.92 0.04 0.00 0.01 -0.41 -4.87 113.70 111.70 1dgq s SER 279 Ca 0.67 1.30 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1dgq s SER 279 Cb -0.24 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1dgq s SER 279 CO 0.62 -1.05 0.14 -0.54 0.41 0.00 0.00 173.24 172.82 1dgq s LYS 280 N -5.25 3.20 0.11 12.44 -0.14 -1.26 -3.49 119.74 125.35 1dgq s LYS 280 Ca 0.56 -0.50 -0.31 0.00 -1.36 0.00 0.00 55.97 54.37 1dgq s LYS 280 Cb -0.11 -2.92 -0.07 0.00 -1.68 0.00 0.00 37.83 33.05 1dgq s LYS 280 CO 0.53 0.62 1.29 -2.14 -0.76 0.00 0.00 175.35 174.89 1dgq s PRO 281 N -2.18 4.38 0.47 -1.68 0.02 -1.26 -4.98 135.00 129.77 1dgq s PRO 281 Ca 0.29 1.94 0.21 0.00 0.02 0.00 0.00 61.00 63.46 1dgq s PRO 281 Cb -0.12 -3.28 1.21 0.00 0.02 0.00 0.00 34.50 32.33 1dgq s PRO 281 CO 0.21 -0.32 1.93 0.00 -0.33 0.00 0.00 177.00 178.49 1dgq h ALA 282 N 6.54 2.33 -0.55 -1.55 0.00 -1.87 0.70 119.26 124.86 1dgq h ALA 282 Ca -0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.55 1dgq h ALA 282 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1dgq h ALA 282 CO 0.83 -0.54 0.37 0.77 0.00 0.00 0.00 179.25 180.67 1dgq h SER 283 N 0.24 0.39 0.13 0.00 0.02 -1.88 0.21 113.55 112.66 1dgq h SER 283 Ca 0.35 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.12 1dgq h SER 283 Cb 1.05 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.52 1dgq h SER 283 CO -0.08 0.25 -0.86 -0.33 -1.14 0.00 0.00 176.83 174.67 1dgq h GLU 284 N 0.44 0.28 0.00 3.45 4.39 -1.22 -3.39 114.58 118.53 1dgq h GLU 284 Ca 0.24 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1dgq h GLU 284 Cb 0.39 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1dgq h GLU 284 CO -0.07 1.23 -0.91 0.74 -1.16 0.00 0.00 179.01 178.84 1dgq h PHE 285 N -0.39 0.00 -3.56 4.33 0.04 -1.17 -3.45 116.94 112.72 1dgq h PHE 285 Ca -0.16 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.00 1dgq h PHE 285 Cb 1.63 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.65 1dgq h PHE 285 CO 0.19 0.12 -0.39 0.08 -0.60 0.00 0.00 178.31 177.71 1dgq s VAL 286 N -3.25 5.30 -0.37 -0.55 1.01 0.69 -0.56 120.40 122.67 1dgq s VAL 286 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1dgq s VAL 286 Cb 0.09 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1dgq s VAL 286 CO 0.77 0.30 0.14 -0.54 0.00 0.00 0.00 175.10 175.78 1dgq s LYS 287 N 1.21 2.31 -1.24 2.72 -0.14 0.21 -4.82 119.74 119.97 1dgq s LYS 287 Ca 0.12 -1.51 -0.20 0.00 -1.36 0.00 0.00 55.97 53.01 1dgq s LYS 287 Cb -0.14 -3.48 -0.01 0.00 -1.68 0.00 0.00 37.83 32.52 1dgq s LYS 287 CO 0.06 -0.87 1.84 -0.89 -0.76 0.00 0.00 175.35 174.74 1dgq n ILE 288 N 4.68 2.96 -2.63 2.17 2.08 -1.26 -0.52 119.36 126.84 1dgq n ILE 288 Ca -0.08 -3.06 -0.43 0.00 0.56 0.00 0.00 62.75 59.74 1dgq n ILE 288 Cb 0.43 -2.27 -0.01 0.00 -0.75 0.00 0.00 39.64 37.04 1dgq n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1dgq s LEU 289 N 7.31 3.95 0.00 1.39 2.96 0.11 -4.75 118.68 129.65 1dgq s LEU 289 Ca 0.61 -2.24 0.00 0.00 -0.22 0.00 0.00 54.13 52.28 1dgq s LEU 289 Cb 0.02 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.16 1dgq s LEU 289 CO 0.10 -1.20 0.00 -0.67 -1.32 0.00 0.00 176.35 173.26 1dgq n ASP 290 N 8.13 0.00 -4.01 3.68 2.03 -1.26 -0.41 116.55 124.71 1dgq n ASP 290 Ca 0.42 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.66 1dgq n ASP 290 Cb 0.47 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 1dgq n ASP 290 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dgq s THR 291 N -1.03 0.18 0.37 5.18 -4.23 -1.26 -2.60 115.64 112.25 1dgq s THR 291 Ca 0.00 -1.51 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1dgq s THR 291 Cb 0.00 -1.30 0.36 0.00 1.34 0.00 0.00 72.50 72.90 1dgq s THR 291 CO 0.00 -0.83 1.78 -0.26 -0.54 0.00 0.00 174.62 174.77 1dgq h PHE 292 N 3.25 0.78 -0.95 3.99 0.04 -1.97 0.14 116.94 122.23 1dgq h PHE 292 Ca -0.34 0.03 0.28 0.00 2.80 0.00 0.00 57.97 60.74 1dgq h PHE 292 Cb 1.16 -0.23 -0.14 0.00 2.20 0.00 0.00 35.95 38.94 1dgq h PHE 292 CO 0.52 0.12 0.42 0.93 -0.60 0.00 0.00 178.31 179.70 1dgq h GLU 293 N 0.51 0.28 0.00 1.51 3.07 -1.95 0.11 114.58 118.11 1dgq h GLU 293 Ca 0.57 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1dgq h GLU 293 Cb 1.26 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1dgq h GLU 293 CO -0.32 0.18 0.00 1.63 -1.40 0.00 0.00 179.01 179.11 1dgq n LYS 294 N -5.12 0.85 0.14 2.33 4.76 0.50 -3.29 118.16 118.32 1dgq n LYS 294 Ca 0.27 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.89 1dgq n LYS 294 Cb 0.84 -1.28 0.78 0.00 -1.84 0.00 0.00 35.03 33.53 1dgq n LYS 294 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dgq h LEU 295 N 0.00 0.00 -0.33 -0.35 3.38 -0.87 0.41 115.31 117.55 1dgq h LEU 295 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 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 0.17 0.11 0.09 0.00 0.00 178.44 178.81 1dgq h LYS 296 N 0.00 0.34 -0.26 1.13 1.57 -1.78 0.10 116.57 117.67 1dgq h LYS 296 Ca 0.14 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1dgq h LYS 296 Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1dgq h LYS 296 CO -0.00 0.23 0.08 0.22 -0.57 0.00 0.00 179.45 179.40 1dgq h ASP 297 N 0.35 0.38 -0.26 0.86 3.58 -0.56 -1.75 116.42 119.03 1dgq h ASP 297 Ca 0.13 -0.21 0.06 0.00 0.42 0.00 0.00 57.03 57.43 1dgq h ASP 297 Cb 0.03 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 40.92 1dgq h ASP 297 CO -0.08 0.49 -0.17 0.25 -2.88 0.00 0.00 179.24 176.85 1dgq h LEU 298 N 0.25 -0.56 -0.15 2.28 5.85 -0.69 0.19 115.31 122.49 1dgq h LEU 298 Ca 0.08 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1dgq h LEU 298 Cb 0.25 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1dgq h LEU 298 CO -0.00 -0.21 -0.34 0.15 -0.34 0.00 0.00 178.44 177.70 1dgq h PHE 299 N -0.15 -0.95 -0.49 1.25 3.57 -0.69 0.18 116.94 119.66 1dgq h PHE 299 Ca 0.14 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1dgq h PHE 299 Cb 0.37 0.44 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1dgq h PHE 299 CO -0.35 -0.41 0.11 1.15 -2.23 0.00 0.00 178.31 176.58 1dgq h THR 300 N -0.40 0.73 0.05 4.41 2.02 -0.56 0.87 112.91 120.02 1dgq h THR 300 Ca 0.10 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1dgq h THR 300 Cb 0.56 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1dgq h THR 300 CO -0.38 0.04 -0.02 -0.08 0.37 0.00 0.00 175.52 175.45 1dgq h GLU 301 N 0.24 -0.06 -0.60 6.66 4.57 0.05 0.67 114.58 126.11 1dgq h GLU 301 Ca 0.25 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1dgq h GLU 301 Cb 0.32 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1dgq h GLU 301 CO -0.32 -0.04 -0.03 -0.07 -1.18 0.00 0.00 179.01 177.37 1dgq h LEU 302 N -0.07 1.06 -0.38 1.64 3.38 -0.17 0.17 115.31 120.94 1dgq h LEU 302 Ca -0.01 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.67 1dgq h LEU 302 Cb 0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1dgq h LEU 302 CO 0.01 1.12 0.21 1.56 0.09 0.00 0.00 178.44 181.43 1dgq h GLN 303 N 0.97 0.42 -0.22 1.13 1.08 -0.65 0.23 115.11 118.07 1dgq h GLN 303 Ca 0.16 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 1dgq h GLN 303 Cb 0.60 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 1dgq h GLN 303 CO 0.04 0.28 -0.15 -0.22 -0.95 0.00 0.00 178.83 177.83 1dgq h LYS 304 N 0.43 -0.13 -0.59 1.46 3.64 -0.36 0.88 116.57 121.90 1dgq h LYS 304 Ca 0.16 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1dgq h LYS 304 Cb 0.03 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1dgq h LYS 304 CO -0.09 -0.09 0.17 0.87 -2.27 0.00 0.00 179.45 178.04 1dgq h LYS 305 N -0.14 0.93 -0.66 1.90 1.57 -0.63 -2.01 116.57 117.53 1dgq h LYS 305 Ca 0.13 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1dgq h LYS 305 Cb 0.33 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1dgq h LYS 305 CO -0.31 0.85 0.44 0.82 -0.57 0.00 0.00 179.45 180.68 1dgq h ILE 306 N 0.85 1.01 -0.81 1.86 2.04 -0.09 0.25 117.51 122.62 1dgq h ILE 306 Ca 0.19 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.94 1dgq h ILE 306 Cb 0.31 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 1dgq h ILE 306 CO -0.00 0.12 0.53 0.22 0.00 0.00 0.00 178.15 179.02 1dgq h TYR 307 N 0.67 0.72 -0.12 1.37 3.20 -0.07 0.12 116.97 122.86 1dgq h TYR 307 Ca 0.29 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.95 1dgq h TYR 307 Cb 0.28 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.32 1dgq h TYR 307 CO -0.00 0.31 -0.82 0.28 -1.64 0.00 0.00 178.16 176.29 1dgq h VAL 308 N 0.65 1.29 -0.79 1.81 2.07 -0.45 -1.70 116.25 119.14 1dgq h VAL 308 Ca 0.39 -2.04 0.05 0.00 0.82 0.00 0.00 66.70 65.92 1dgq h VAL 308 Cb 0.60 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 1dgq h VAL 308 CO -0.15 0.64 0.48 0.40 0.02 0.00 0.00 177.57 178.96 1dgq h ILE 309 N 0.49 1.05 0.00 4.57 1.08 0.21 -3.39 117.51 121.52 1dgq h ILE 309 Ca -0.06 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1dgq h ILE 309 Cb 1.44 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1dgq h ILE 309 CO 0.16 0.17 0.00 1.21 -0.69 0.00 0.00 178.15 179.00 1dgq n GLU 310 N -4.65 0.00 -0.39 2.37 2.13 0.30 -2.75 120.64 117.64 1dgq n GLU 310 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1dgq n GLU 310 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.86 1dgq n GLU 310 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13