#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdi s THR 180 N 0.00 0.69 -0.19 1.39 2.01 -1.26 -5.13 115.64 113.16 3gdi s THR 180 Ca 0.00 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 3gdi s THR 180 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3gdi s THR 180 CO 0.00 -0.23 0.24 -0.55 -0.69 0.00 0.00 174.62 173.40 3gdi s SER 181 N 1.77 6.32 -0.95 3.53 0.15 -1.26 -4.52 113.70 118.75 3gdi s SER 181 Ca -0.01 0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.95 3gdi s SER 181 Cb -0.17 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3gdi s SER 181 CO -0.09 0.09 0.82 1.21 1.20 0.00 0.00 173.24 176.47 3gdi n GLU 182 N 3.79 -1.78 0.06 5.44 4.07 -1.26 -4.99 120.64 125.97 3gdi n GLU 182 Ca -0.13 1.02 -0.03 0.00 -0.06 0.00 0.00 57.16 57.96 3gdi n GLU 182 Cb 0.52 -5.45 -0.01 0.00 -0.06 0.00 0.00 31.44 26.43 3gdi n GLU 182 CO 0.00 0.00 0.00 0.10 -0.06 0.00 0.00 177.13 177.17 3gdi h TYR 183 N -0.65 -0.19 0.00 4.31 -0.00 -2.03 -3.31 116.97 115.10 3gdi h TYR 183 Ca -0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 3gdi h TYR 183 Cb 1.22 0.06 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 3gdi h TYR 183 CO 0.27 -0.12 0.00 1.51 -0.00 0.00 0.00 178.16 179.82 3gdi n ILE 184 N -3.67 0.00 -2.49 -0.90 0.00 -1.26 -5.25 119.36 105.79 3gdi n ILE 184 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.72 3gdi n ILE 184 Cb 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 39.64 38.90 3gdi n ILE 184 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3gdi n VAL 185 N -0.86 0.00 -4.28 9.51 0.24 -1.25 -5.25 118.33 116.44 3gdi n VAL 185 Ca 0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.09 3gdi n VAL 185 Cb 0.01 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.31 3gdi n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gdi s ALA 188 N -1.00 3.20 0.00 2.33 0.00 -1.26 -4.98 121.76 120.05 3gdi s ALA 188 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.33 3gdi s ALA 188 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3gdi s ALA 188 CO 0.00 0.27 0.00 -3.47 0.00 0.00 0.00 175.76 172.56 3gdi n ASP 189 N -0.92 0.00 -4.59 0.00 2.03 -1.26 -4.93 116.55 106.89 3gdi n ASP 189 Ca -0.07 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.90 3gdi n ASP 189 Cb 0.59 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 40.45 3gdi n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gdi s MET 190 N 0.00 2.92 0.00 -0.67 0.23 -1.26 -4.07 119.30 116.45 3gdi s MET 190 Ca 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 55.69 54.14 3gdi s MET 190 Cb 0.00 -2.67 0.00 0.00 -1.53 0.00 0.00 34.83 30.63 3gdi s MET 190 CO 0.00 0.61 0.00 1.97 -2.03 0.00 0.00 175.02 175.57 3gdi n PHE 191 N 2.39 -0.81 -3.63 3.16 1.16 -1.23 -4.95 117.46 113.56 3gdi n PHE 191 Ca -0.18 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.30 3gdi n PHE 191 Cb 0.53 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.36 3gdi n PHE 191 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdi s ALA 192 N -2.00 -1.04 0.04 1.98 0.00 -1.26 -1.84 121.76 117.64 3gdi s ALA 192 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 3gdi s ALA 192 Cb 0.00 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.97 3gdi s ALA 192 CO 0.00 -0.71 0.62 0.14 0.00 0.00 0.00 175.76 175.80 3gdi s VAL 193 N -3.82 0.01 -0.10 0.00 -7.23 -0.57 -3.18 120.40 105.51 3gdi s VAL 193 Ca 0.05 -0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 3gdi s VAL 193 Cb 0.01 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.96 3gdi s VAL 193 CO -0.09 -0.03 -0.18 0.00 -0.31 0.00 0.00 175.10 174.49 3gdi s ALA 194 N -2.33 1.84 -0.04 1.32 0.00 -0.59 0.64 121.76 122.61 3gdi s ALA 194 Ca -0.06 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3gdi s ALA 194 Cb -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3gdi s ALA 194 CO -0.00 0.07 -0.22 0.08 0.00 0.00 0.00 175.76 175.68 3gdi s VAL 195 N 0.71 1.81 0.16 0.00 1.01 -0.65 -2.21 120.40 121.24 3gdi s VAL 195 Ca -0.12 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 3gdi s VAL 195 Cb -0.16 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 3gdi s VAL 195 CO 0.02 0.51 1.49 -0.55 0.00 0.00 0.00 175.10 176.58 3gdi s SER 196 N -0.29 6.67 -0.00 3.32 0.15 0.10 -1.48 113.70 122.17 3gdi s SER 196 Ca 0.02 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.20 3gdi s SER 196 Cb -0.11 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 3gdi s SER 196 CO 0.01 -0.75 0.61 0.18 1.20 0.00 0.00 173.24 174.49 3gdi n LEU 197 N 3.74 0.84 0.00 3.45 4.77 -1.09 -2.87 117.00 125.85 3gdi n LEU 197 Ca 0.12 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3gdi n LEU 197 Cb 0.40 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3gdi n LEU 197 CO 0.60 0.21 -0.06 1.33 -1.33 0.00 0.00 177.39 178.14 3gdi n VAL 198 N -0.09 0.00 0.00 4.08 0.24 -1.26 -5.08 118.33 116.22 3gdi n VAL 198 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3gdi n VAL 198 Cb 0.21 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3gdi n VAL 198 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gdi n SER 199 N -0.19 0.00 0.00 -1.34 3.41 -1.14 -5.20 113.62 109.17 3gdi n SER 199 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gdi n SER 199 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gdi n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gdi n GLY 200 N 0.00 5.21 3.59 5.00 0.00 -1.26 -4.67 105.19 113.06 3gdi n GLY 200 Ca 0.00 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3gdi n GLY 200 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gdi s LYS 201 N 2.33 3.56 -0.07 1.61 2.20 -0.61 0.03 119.74 128.79 3gdi s LYS 201 Ca 0.00 0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 3gdi s LYS 201 Cb 0.00 -4.00 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 3gdi s LYS 201 CO 0.00 -1.59 -0.08 0.82 -0.36 0.00 0.00 175.35 174.14 3gdi h ILE 202 N 6.34 0.00 -3.31 5.43 2.04 -1.78 -3.41 117.51 122.82 3gdi h ILE 202 Ca -0.26 -0.50 -0.68 0.00 1.00 0.00 0.00 64.86 64.43 3gdi h ILE 202 Cb 1.08 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.01 3gdi h ILE 202 CO 1.13 0.00 -0.62 -0.22 0.00 0.00 0.00 178.15 178.44 3gdi s LEU 203 N -6.36 3.59 0.06 1.44 1.98 -1.15 -4.98 118.68 113.25 3gdi s LEU 203 Ca -0.07 0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.29 3gdi s LEU 203 Cb 0.01 -1.82 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 3gdi s LEU 203 CO 0.10 0.37 0.01 -0.72 -1.89 0.00 0.00 176.35 174.22 3gdi s TYR 204 N -0.82 0.44 0.00 5.38 1.13 -1.26 -1.54 117.35 120.68 3gdi s TYR 204 Ca 0.12 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 3gdi s TYR 204 Cb -0.11 -0.32 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 3gdi s TYR 204 CO 0.02 -0.40 0.00 0.44 -2.51 0.00 0.00 175.55 173.10 3gdi n ILE 205 N 0.15 0.00 -1.43 -3.49 -5.35 -1.19 -4.99 119.36 103.05 3gdi n ILE 205 Ca -0.15 0.00 -0.59 0.00 -0.27 0.00 0.00 62.75 61.74 3gdi n ILE 205 Cb 0.61 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.41 3gdi n ILE 205 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gdi n SER 206 N -0.63 1.30 -4.67 7.28 3.41 -1.26 -4.88 113.62 114.17 3gdi n SER 206 Ca 0.00 0.77 -0.27 0.00 -0.26 0.00 0.00 58.87 59.10 3gdi n SER 206 Cb 0.00 -1.00 0.11 0.00 -0.26 0.00 0.00 64.21 63.07 3gdi n SER 206 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gdi s ASN 207 N 5.42 4.20 0.00 4.04 2.47 -1.26 -4.66 114.94 125.15 3gdi s ASN 207 Ca 1.13 0.40 0.00 0.00 0.42 0.00 0.00 52.86 54.80 3gdi s ASN 207 Cb -1.32 -0.80 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 3gdi s ASN 207 CO 0.66 -2.03 0.00 1.67 -3.72 0.00 0.00 177.10 173.68 3gdi n GLN 208 N -3.25 0.00 -1.57 0.43 7.27 -1.26 -5.06 117.38 113.94 3gdi n GLN 208 Ca 0.11 0.00 -0.49 0.00 0.07 0.00 0.00 57.00 56.68 3gdi n GLN 208 Cb 0.60 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.21 3gdi n GLN 208 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3gdi n VAL 209 N -1.72 0.83 -1.87 1.69 0.31 -1.26 -4.75 118.33 111.56 3gdi n VAL 209 Ca 0.00 -0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 63.90 3gdi n VAL 209 Cb 0.00 -0.78 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 3gdi n VAL 209 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gdi s ALA 210 N -0.16 1.23 0.00 3.52 0.00 -1.26 -4.56 121.76 120.52 3gdi s ALA 210 Ca 0.74 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3gdi s ALA 210 Cb -0.88 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 17.56 3gdi s ALA 210 CO 0.52 -5.93 0.00 0.45 0.00 0.00 0.00 175.76 170.80 3gdi n SER 211 N 16.65 0.00 0.00 0.00 2.88 -1.26 -5.11 113.62 126.78 3gdi n SER 211 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 3gdi n SER 211 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3gdi n SER 211 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3gdi n ILE 212 N 0.00 0.00 -4.81 2.46 -6.64 -1.26 -4.64 119.36 104.47 3gdi n ILE 212 Ca 0.00 0.00 -0.33 0.00 -1.77 0.00 0.00 62.75 60.65 3gdi n ILE 212 Cb 0.00 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.07 3gdi n ILE 212 CO 0.00 0.00 0.00 1.51 -1.77 0.00 0.00 176.55 176.29 3gdi s ASP 222 N -4.00 4.16 0.02 7.28 -4.77 -1.26 -5.07 116.67 113.04 3gdi s ASP 222 Ca 0.00 -0.17 -0.00 0.00 -3.30 0.00 0.00 52.55 49.08 3gdi s ASP 222 Cb 0.00 -0.91 0.00 0.00 -1.09 0.00 0.00 42.92 40.92 3gdi s ASP 222 CO 0.00 0.34 0.03 0.00 0.70 0.00 0.00 175.17 176.24 3gdi n ALA 223 N 2.22 -0.01 -2.00 2.11 0.00 -1.26 -4.95 120.51 116.62 3gdi n ALA 223 Ca -0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 3gdi n ALA 223 Cb 0.52 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3gdi n ALA 223 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gdi s LYS 224 N -2.05 4.29 0.15 0.00 -0.14 -1.26 -1.57 119.74 119.16 3gdi s LYS 224 Ca 0.02 2.20 -0.17 0.00 -1.36 0.00 0.00 55.97 56.66 3gdi s LYS 224 Cb -0.00 -3.17 -0.01 0.00 -1.68 0.00 0.00 37.83 32.97 3gdi s LYS 224 CO 0.01 -0.43 1.80 0.35 -0.76 0.00 0.00 175.35 176.32 3gdi h PHE 225 N 5.99 0.45 0.00 3.18 3.57 -1.89 -2.66 116.94 125.58 3gdi h PHE 225 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3gdi h PHE 225 Cb 1.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3gdi h PHE 225 CO 0.63 0.29 0.28 -0.39 -2.23 0.00 0.00 178.31 176.89 3gdi h VAL 226 N 0.48 0.00 -0.40 1.41 -1.51 -1.95 -0.94 116.25 113.34 3gdi h VAL 226 Ca 0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.56 3gdi h VAL 226 Cb -0.05 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 3gdi h VAL 226 CO -0.03 0.00 0.07 -0.33 -1.23 0.00 0.00 177.57 176.05 3gdi h GLU 227 N 0.00 0.60 0.00 5.19 5.08 -1.86 -2.51 114.58 121.08 3gdi h GLU 227 Ca 0.00 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 3gdi h GLU 227 Cb 0.56 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3gdi h GLU 227 CO 0.00 0.57 -0.86 0.74 -1.00 0.00 0.00 179.01 178.46 3gdi h PHE 228 N 0.58 0.00 -4.27 4.33 0.04 -1.36 -3.47 116.94 112.79 3gdi h PHE 228 Ca 0.13 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.39 3gdi h PHE 228 Cb 0.26 0.00 0.17 0.00 2.20 0.00 0.00 35.95 38.58 3gdi h PHE 228 CO 0.01 0.78 0.26 -0.51 -0.60 0.00 0.00 178.31 178.26 3gdi s LEU 229 N -6.54 2.89 0.27 1.54 1.02 -0.95 0.13 118.68 117.05 3gdi s LEU 229 Ca 0.02 2.00 -0.30 0.00 0.02 0.00 0.00 54.13 55.87 3gdi s LEU 229 Cb 0.09 -4.52 -0.09 0.00 0.02 0.00 0.00 46.19 41.69 3gdi s LEU 229 CO 0.79 -2.63 1.07 0.00 0.02 0.00 0.00 176.35 175.60 3gdi s ALA 230 N -2.77 3.39 0.22 4.21 0.00 0.28 -4.72 121.76 122.38 3gdi s ALA 230 Ca 0.64 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 3gdi s ALA 230 Cb -0.20 -3.30 0.24 0.00 0.00 0.00 0.00 23.12 19.86 3gdi s ALA 230 CO 0.57 -0.08 1.57 -1.35 0.00 0.00 0.00 175.76 176.46 3gdi h PRO 231 N 3.91 -0.04 0.00 0.00 0.11 -1.90 -0.17 132.00 133.91 3gdi h PRO 231 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gdi h PRO 231 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gdi h PRO 231 CO 0.67 -0.03 0.00 0.72 -0.21 0.00 0.00 178.00 179.15 3gdi n HIS 232 N -5.48 0.00 0.16 0.65 8.25 -1.26 -2.32 115.22 115.22 3gdi n HIS 232 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.57 3gdi n HIS 232 Cb 0.40 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 3gdi n HIS 232 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3gdi n ASP 233 N -0.98 0.85 -0.28 0.41 10.43 -0.09 -4.67 116.55 122.23 3gdi n ASP 233 Ca 0.08 -0.49 0.06 0.00 2.57 0.00 0.00 54.79 57.00 3gdi n ASP 233 Cb 0.04 1.03 0.20 0.00 1.84 0.00 0.00 41.12 44.23 3gdi n ASP 233 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3gdi h VAL 234 N 0.00 0.73 -0.43 2.53 2.07 -1.34 0.82 116.25 120.62 3gdi h VAL 234 Ca 0.00 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3gdi h VAL 234 Cb 0.11 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3gdi h VAL 234 CO 0.00 0.10 -0.03 0.77 0.02 0.00 0.00 177.57 178.43 3gdi h SER 235 N 0.57 0.70 0.09 0.57 4.64 -1.83 -1.27 113.55 117.02 3gdi h SER 235 Ca 0.43 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3gdi h SER 235 Cb 0.59 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3gdi h SER 235 CO -0.35 0.79 -0.04 0.58 -0.87 0.00 0.00 176.83 176.93 3gdi h VAL 236 N 0.68 1.03 -0.57 0.95 2.07 -1.30 0.62 116.25 119.71 3gdi h VAL 236 Ca 0.13 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3gdi h VAL 236 Cb 0.47 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3gdi h VAL 236 CO 0.02 0.10 0.26 0.15 0.02 0.00 0.00 177.57 178.13 3gdi h PHE 237 N -0.30 0.47 -0.26 1.57 3.04 -0.71 -1.20 116.94 119.56 3gdi h PHE 237 Ca -0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 3gdi h PHE 237 Cb 0.25 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 3gdi h PHE 237 CO -0.01 0.19 0.12 0.45 -2.02 0.00 0.00 178.31 177.04 3gdi h HIS 238 N 0.49 0.38 -0.51 0.41 3.86 -1.04 -2.39 115.15 116.35 3gdi h HIS 238 Ca 0.27 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.49 3gdi h HIS 238 Cb 0.24 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 3gdi h HIS 238 CO -0.12 0.36 0.29 1.03 0.86 0.00 0.00 177.93 180.35 3gdi h SER 239 N 0.28 0.47 0.61 2.45 0.87 -0.41 -1.50 113.55 116.30 3gdi h SER 239 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3gdi h SER 239 Cb 0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3gdi h SER 239 CO -0.01 0.33 0.00 -1.22 -0.53 0.00 0.00 176.83 175.40 3gdi n TYR 240 N -4.82 0.00 -0.06 2.24 4.01 -0.49 -3.24 117.16 114.80 3gdi n TYR 240 Ca 0.04 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.80 3gdi n TYR 240 Cb 0.09 -0.35 0.06 0.00 -0.31 0.00 0.00 39.34 38.82 3gdi n TYR 240 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3gdi n THR 241 N -1.35 0.97 -1.99 -0.72 -2.24 -0.79 -4.68 114.28 103.48 3gdi n THR 241 Ca 0.10 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 3gdi n THR 241 Cb 0.23 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 3gdi n THR 241 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gdi s THR 242 N -0.98 2.61 0.31 4.28 -4.23 -0.64 -4.86 115.64 112.13 3gdi s THR 242 Ca 0.09 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 3gdi s THR 242 Cb 0.05 -3.33 0.40 0.00 1.34 0.00 0.00 72.50 70.96 3gdi s THR 242 CO 0.06 0.08 1.52 -2.65 -0.54 0.00 0.00 174.62 173.09 3gdi n PRO 243 N 2.30 -0.08 0.00 3.99 -0.02 -1.26 -1.65 135.00 138.28 3gdi n PRO 243 Ca 0.07 1.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.99 3gdi n PRO 243 Cb 0.40 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3gdi n PRO 243 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3gdi n TYR 244 N -5.43 0.00 0.00 6.00 4.11 -1.26 -2.77 117.16 117.81 3gdi n TYR 244 Ca 0.24 -0.14 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 3gdi n TYR 244 Cb 0.79 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 40.00 3gdi n TYR 244 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3gdi n LYS 245 N 0.29 1.51 -2.03 -3.48 5.02 -0.66 -5.06 118.16 113.74 3gdi n LYS 245 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3gdi n LYS 245 Cb 0.26 -0.71 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 3gdi n LYS 245 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gdi s LEU 246 N -2.39 4.34 0.00 -0.35 1.43 -1.11 -5.06 118.68 115.53 3gdi s LEU 246 Ca 0.00 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3gdi s LEU 246 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3gdi s LEU 246 CO 0.00 -0.86 0.00 -2.65 0.23 0.00 0.00 176.35 173.07 3gdi n PRO 247 N 6.02 0.00 0.00 1.29 -0.02 -1.26 -4.63 135.00 136.40 3gdi n PRO 247 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3gdi n PRO 247 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3gdi n PRO 247 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gdi n MET 263 N 0.00 0.00 0.19 -0.52 0.00 -1.26 -2.92 117.12 112.61 3gdi n MET 263 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.78 3gdi n MET 263 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.33 3gdi n MET 263 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3gdi h GLU 264 N 0.00 0.00 -4.69 3.17 4.57 -2.09 -3.49 114.58 112.05 3gdi h GLU 264 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gdi h GLU 264 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3gdi h GLU 264 CO 0.00 0.19 -0.18 0.39 -1.18 0.00 0.00 179.01 178.23 3gdi n GLU 265 N -3.15 -1.35 -2.33 1.92 1.02 -1.26 -4.87 120.64 110.62 3gdi n GLU 265 Ca 0.03 1.46 -0.35 0.00 -0.02 0.00 0.00 57.16 58.28 3gdi n GLU 265 Cb 0.61 -4.58 -0.04 0.00 -0.02 0.00 0.00 31.44 27.41 3gdi n GLU 265 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gdi s LYS 266 N -2.58 3.18 0.00 3.49 -0.14 -1.26 -4.91 119.74 117.51 3gdi s LYS 266 Ca 0.09 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 3gdi s LYS 266 Cb -0.03 -5.29 0.00 0.00 -1.68 0.00 0.00 37.83 30.84 3gdi s LYS 266 CO 0.55 -2.86 0.00 0.43 -0.76 0.00 0.00 175.35 172.72 3gdi n SER 267 N 11.21 0.00 -3.83 2.83 7.64 -1.26 -4.71 113.62 125.49 3gdi n SER 267 Ca 0.40 -0.60 -0.09 0.00 1.01 0.00 0.00 58.87 59.60 3gdi n SER 267 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 3gdi n SER 267 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3gdi s PHE 268 N 0.68 0.19 0.17 1.43 -0.12 0.17 -4.97 117.98 115.53 3gdi s PHE 268 Ca 0.00 -0.60 0.07 0.00 -0.05 0.00 0.00 56.93 56.35 3gdi s PHE 268 Cb 0.00 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 3gdi s PHE 268 CO 0.00 -1.13 -0.15 -0.06 -0.05 0.00 0.00 175.22 173.83 3gdi s PHE 269 N -3.81 1.64 -0.19 3.49 0.40 -1.26 0.39 117.98 118.64 3gdi s PHE 269 Ca 0.18 -0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 55.66 3gdi s PHE 269 Cb -0.03 -0.80 0.14 0.00 0.51 0.00 0.00 43.02 42.84 3gdi s PHE 269 CO 0.09 0.28 1.11 0.00 0.70 0.00 0.00 175.22 177.41 3gdi s ARG 271 N -1.40 4.39 0.13 0.00 3.00 -1.26 -1.65 118.95 122.16 3gdi s ARG 271 Ca 0.03 0.72 0.04 0.00 0.00 0.00 0.00 55.73 56.52 3gdi s ARG 271 Cb -0.01 -3.43 -0.04 0.00 0.00 0.00 0.00 34.95 31.47 3gdi s ARG 271 CO -0.03 0.13 0.14 0.08 0.00 0.00 0.00 175.30 175.62 3gdi s VAL 272 N 0.61 4.65 0.52 3.52 1.01 -0.43 0.10 120.40 130.38 3gdi s VAL 272 Ca 0.33 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3gdi s VAL 272 Cb -0.17 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3gdi s VAL 272 CO 0.15 -0.01 0.86 -0.94 0.00 0.00 0.00 175.10 175.16 3gdi s SER 273 N -2.82 6.28 0.00 3.32 1.04 0.35 -1.78 113.70 120.09 3gdi s SER 273 Ca 0.31 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.83 3gdi s SER 273 Cb -0.11 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3gdi s SER 273 CO 0.24 -0.65 0.00 0.52 0.98 0.00 0.00 173.24 174.33 3gdi n VAL 274 N -2.32 0.00 0.00 5.02 0.31 -1.26 -4.94 118.33 115.14 3gdi n VAL 274 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3gdi n VAL 274 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 3gdi n VAL 274 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gdi n GLY 275 N 0.40 1.09 0.00 2.92 0.00 -1.26 -5.04 105.19 103.30 3gdi n GLY 275 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3gdi n GLY 275 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gdi n ARG 283 N 0.00 0.00 -3.78 1.61 -4.01 -1.26 -4.90 116.66 104.31 3gdi n ARG 283 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 3gdi n ARG 283 Cb 0.00 0.00 -0.13 0.00 -3.04 0.00 0.00 32.46 29.29 3gdi n ARG 283 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3gdi s TYR 284 N -0.99 -0.19 -0.00 2.89 4.12 -1.26 -4.56 117.35 117.35 3gdi s TYR 284 Ca 0.00 0.49 0.06 0.00 0.02 0.00 0.00 57.07 57.64 3gdi s TYR 284 Cb 0.00 0.01 -0.02 0.00 -1.52 0.00 0.00 41.96 40.44 3gdi s TYR 284 CO 0.00 -0.13 -0.18 -0.65 0.02 0.00 0.00 175.55 174.61 3gdi s GLN 285 N 0.59 1.42 0.16 -0.62 -1.52 -0.73 -4.93 119.66 114.03 3gdi s GLN 285 Ca -0.04 -0.68 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 3gdi s GLN 285 Cb -0.06 -1.39 -0.07 0.00 -0.22 0.00 0.00 33.01 31.27 3gdi s GLN 285 CO -0.03 0.38 1.13 -1.25 -0.25 0.00 0.00 175.29 175.27 3gdi s PRO 286 N -0.54 4.55 0.02 2.91 0.04 -1.26 -1.31 135.00 139.41 3gdi s PRO 286 Ca 0.07 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.90 3gdi s PRO 286 Cb -0.07 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 3gdi s PRO 286 CO -0.00 0.00 -0.12 -0.06 0.04 0.00 0.00 177.00 176.86 3gdi s PHE 287 N -0.04 1.03 -0.26 0.56 0.08 -0.66 -1.46 117.98 117.23 3gdi s PHE 287 Ca 0.51 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 57.17 3gdi s PHE 287 Cb -0.30 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 3gdi s PHE 287 CO 0.35 0.00 0.16 0.50 -0.10 0.00 0.00 175.22 176.12 3gdi s ARG 288 N -0.78 3.93 -0.03 0.44 3.52 -0.99 -2.02 118.95 123.01 3gdi s ARG 288 Ca 0.01 -0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 3gdi s ARG 288 Cb -0.06 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 3gdi s ARG 288 CO 0.00 -0.10 -0.25 -1.64 -0.81 0.00 0.00 175.30 172.51 3gdi s MET 289 N 1.49 2.21 -0.26 5.12 -1.94 0.16 -2.64 119.30 123.44 3gdi s MET 289 Ca 0.07 -0.89 -0.02 0.00 -1.71 0.00 0.00 55.69 53.14 3gdi s MET 289 Cb -0.15 -2.03 0.03 0.00 2.01 0.00 0.00 34.83 34.70 3gdi s MET 289 CO 0.08 0.47 -0.05 0.99 -0.01 0.00 0.00 175.02 176.51 3gdi s THR 290 N -0.42 2.90 -0.10 2.05 2.01 -0.69 -0.65 115.64 120.73 3gdi s THR 290 Ca 0.04 -1.13 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 3gdi s THR 290 Cb -0.11 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3gdi s THR 290 CO 0.01 0.11 0.63 -2.16 -0.69 0.00 0.00 174.62 172.52 3gdi s PRO 291 N 1.30 4.37 -0.06 4.92 0.04 -1.26 -2.39 135.00 141.93 3gdi s PRO 291 Ca -0.01 0.71 0.03 0.00 0.04 0.00 0.00 61.00 61.77 3gdi s PRO 291 Cb -0.18 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3gdi s PRO 291 CO -0.04 0.04 -0.15 0.71 0.04 0.00 0.00 177.00 177.60 3gdi s TYR 292 N 0.95 1.63 -0.81 0.56 4.12 -0.58 -4.42 117.35 118.80 3gdi s TYR 292 Ca 0.33 -0.54 -0.22 0.00 0.02 0.00 0.00 57.07 56.66 3gdi s TYR 292 Cb -0.17 -1.13 0.08 0.00 -1.52 0.00 0.00 41.96 39.22 3gdi s TYR 292 CO 0.14 -0.23 1.14 -1.17 0.02 0.00 0.00 175.55 175.46 3gdi s LEU 293 N 0.32 4.22 -0.16 -1.29 2.96 -1.15 0.09 118.68 123.68 3gdi s LEU 293 Ca -0.09 -1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 52.35 3gdi s LEU 293 Cb -0.14 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 3gdi s LEU 293 CO 0.03 -1.42 0.59 0.68 -1.32 0.00 0.00 176.35 174.92 3gdi s VAL 294 N 4.11 5.07 0.00 1.68 -7.23 -0.04 -4.98 120.40 119.02 3gdi s VAL 294 Ca 0.31 1.13 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 3gdi s VAL 294 Cb -0.09 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.93 3gdi s VAL 294 CO 0.02 0.18 0.00 2.29 -0.31 0.00 0.00 175.10 177.29 3gdi n LYS 295 N 4.55 1.18 0.00 4.82 0.00 -1.26 -0.53 118.16 126.92 3gdi n LYS 295 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 3gdi n LYS 295 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 3gdi n LYS 295 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3gdi n GLU 303 N -0.84 0.00 0.00 -1.58 0.00 -1.26 -4.66 120.64 112.30 3gdi n GLU 303 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3gdi n GLU 303 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3gdi n GLU 303 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3gdi n SER 304 N 0.00 0.00 -4.34 -1.84 3.41 -1.26 -5.14 113.62 104.45 3gdi n SER 304 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3gdi n SER 304 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3gdi n SER 304 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3gdi s GLN 305 N 0.73 3.33 -0.43 4.33 2.00 -1.26 -5.09 119.66 123.28 3gdi s GLN 305 Ca 0.00 -0.71 -0.14 0.00 -2.00 0.00 0.00 55.36 52.51 3gdi s GLN 305 Cb 0.00 -2.59 0.04 0.00 0.80 0.00 0.00 33.01 31.26 3gdi s GLN 305 CO 0.00 0.19 0.31 -1.17 -0.50 0.00 0.00 175.29 174.12 3gdi s LEU 306 N 0.41 5.22 0.44 3.68 1.98 -1.26 -4.62 118.68 124.53 3gdi s LEU 306 Ca -0.11 -1.11 0.06 0.00 -2.89 0.00 0.00 54.13 50.08 3gdi s LEU 306 Cb -0.16 -2.13 -0.05 0.00 0.66 0.00 0.00 46.19 44.51 3gdi s LEU 306 CO 0.05 -0.51 0.09 0.00 -1.89 0.00 0.00 176.35 174.10 3gdi s LEU 309 N 1.15 4.07 -0.20 0.00 1.98 0.11 -1.64 118.68 124.15 3gdi s LEU 309 Ca -0.07 0.83 -0.04 0.00 -2.89 0.00 0.00 54.13 51.97 3gdi s LEU 309 Cb -0.19 -3.13 -0.01 0.00 0.66 0.00 0.00 46.19 43.51 3gdi s LEU 309 CO -0.05 -0.57 -0.04 -0.76 -1.89 0.00 0.00 176.35 173.04 3gdi s LEU 310 N 2.92 3.00 -0.26 -0.68 1.43 0.21 -1.53 118.68 123.76 3gdi s LEU 310 Ca 0.34 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 3gdi s LEU 310 Cb -0.15 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gdi s LEU 310 CO 0.10 0.03 0.41 -0.76 0.23 0.00 0.00 176.35 176.36 3gdi s LEU 311 N 1.17 4.06 0.34 1.79 1.43 -1.00 -1.51 118.68 124.95 3gdi s LEU 311 Ca 0.02 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 3gdi s LEU 311 Cb -0.14 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3gdi s LEU 311 CO -0.00 -0.19 0.26 0.00 0.23 0.00 0.00 176.35 176.65 3gdi s ALA 312 N 2.02 3.77 -0.30 4.21 0.00 -0.76 -1.70 121.76 128.99 3gdi s ALA 312 Ca 0.17 -1.69 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 3gdi s ALA 312 Cb -0.16 -1.08 0.18 0.00 0.00 0.00 0.00 23.12 22.06 3gdi s ALA 312 CO 0.09 0.01 0.98 -2.00 0.00 0.00 0.00 175.76 174.84 3gdi s GLU 313 N -3.96 0.25 0.17 0.00 2.12 -1.08 -3.52 118.70 112.67 3gdi s GLU 313 Ca 0.40 0.46 -0.33 0.00 0.36 0.00 0.00 54.97 55.87 3gdi s GLU 313 Cb -0.05 0.26 -0.16 0.00 0.26 0.00 0.00 34.13 34.44 3gdi s GLU 313 CO 0.26 -0.26 1.20 -2.13 -0.54 0.00 0.00 175.26 173.79 3gdi n ARG 314 N 5.42 1.24 -3.37 4.30 0.00 -1.26 -2.35 116.66 120.65 3gdi n ARG 314 Ca -0.06 0.44 -0.39 0.00 -0.00 0.00 0.00 57.85 57.84 3gdi n ARG 314 Cb 0.53 -1.96 -0.08 0.00 0.00 0.00 0.00 32.46 30.95 3gdi n ARG 314 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3gdi s VAL 315 N -0.12 5.18 -0.03 5.15 1.01 -0.54 -4.88 120.40 126.17 3gdi s VAL 315 Ca 0.74 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.36 3gdi s VAL 315 Cb -0.84 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 3gdi s VAL 315 CO 0.51 0.21 0.23 -1.00 0.00 0.00 0.00 175.10 175.05 3gdi s HIS 316 N 1.57 3.59 0.21 5.22 0.09 -1.26 -4.78 115.29 119.93 3gdi s HIS 316 Ca 0.19 0.54 -0.32 0.00 -0.00 0.00 0.00 55.06 55.46 3gdi s HIS 316 Cb -0.15 -1.96 -0.14 0.00 -0.00 0.00 0.00 32.58 30.33 3gdi s HIS 316 CO 0.08 0.65 1.42 0.45 -0.00 0.00 0.00 174.74 177.35 3gdi n SER 317 N 1.33 2.68 0.32 1.40 2.88 -1.26 -4.72 113.62 116.25 3gdi n SER 317 Ca -0.13 1.13 0.20 0.00 -1.33 0.00 0.00 58.87 58.73 3gdi n SER 317 Cb 0.53 -1.40 1.07 0.00 -0.75 0.00 0.00 64.21 63.66 3gdi n SER 317 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3gdi h GLY 318 N 4.51 0.00 -2.54 0.46 0.00 -0.56 -1.10 103.07 103.85 3gdi h GLY 318 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3gdi h GLY 318 CO 0.78 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.60 3gdi n TYR 319 N -3.29 1.23 -2.49 5.60 4.02 -1.26 -1.04 117.16 119.93 3gdi n TYR 319 Ca -0.03 -0.63 -0.09 0.00 -0.01 0.00 0.00 57.90 57.14 3gdi n TYR 319 Cb 0.11 -0.22 0.04 0.00 -0.02 0.00 0.00 39.34 39.26 3gdi n TYR 319 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3gdi n GLU 320 N 0.78 0.41 -0.32 -0.72 2.13 -0.42 -4.79 120.64 117.71 3gdi n GLU 320 Ca 0.23 -1.12 -0.07 0.00 0.66 0.00 0.00 57.16 56.86 3gdi n GLU 320 Cb 0.81 -0.24 -0.05 0.00 0.27 0.00 0.00 31.44 32.23 3gdi n GLU 320 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gdi n ALA 321 N -2.93 -0.41 0.08 4.31 0.00 -1.26 0.23 120.51 120.53 3gdi n ALA 321 Ca -0.06 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3gdi n ALA 321 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3gdi n ALA 321 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gdi n PRO 322 N -5.00 0.94 -1.44 0.00 -0.02 -1.26 -4.93 135.00 123.28 3gdi n PRO 322 Ca 0.03 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.03 3gdi n PRO 322 Cb 0.22 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 3gdi n PRO 322 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3gdi n ARG 323 N 1.14 0.28 -2.72 -0.52 1.85 0.61 -4.88 116.66 112.42 3gdi n ARG 323 Ca 0.00 0.10 -0.42 0.00 -1.00 0.00 0.00 57.85 56.53 3gdi n ARG 323 Cb 0.47 -1.20 -0.03 0.00 -1.05 0.00 0.00 32.46 30.66 3gdi n ARG 323 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3gdi s ILE 324 N -0.97 4.81 0.35 8.89 1.01 -0.21 -4.99 121.20 130.10 3gdi s ILE 324 Ca 0.64 1.98 -0.24 0.00 0.00 0.00 0.00 60.65 63.03 3gdi s ILE 324 Cb -0.89 -4.29 -0.14 0.00 0.01 0.00 0.00 42.46 37.15 3gdi s ILE 324 CO 0.57 0.03 0.55 -2.65 0.00 0.00 0.00 174.94 173.44 3gdi n PRO 325 N 4.85 0.49 -0.18 2.79 -0.02 -1.26 -4.62 135.00 137.05 3gdi n PRO 325 Ca 0.08 0.18 -0.05 0.00 -2.02 0.00 0.00 63.50 61.69 3gdi n PRO 325 Cb 0.49 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.55 3gdi n PRO 325 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3gdi n PRO 326 N 0.81 -0.18 0.22 0.52 -0.02 -1.26 -1.28 135.00 133.80 3gdi n PRO 326 Ca 0.13 1.21 0.18 0.00 -2.02 0.00 0.00 63.50 63.00 3gdi n PRO 326 Cb 0.35 -1.80 0.85 0.00 -0.02 0.00 0.00 33.50 32.88 3gdi n PRO 326 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gdi h GLU 327 N 0.00 0.00 -0.01 -0.52 4.39 -1.91 -0.80 114.58 115.73 3gdi h GLU 327 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3gdi h GLU 327 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3gdi h GLU 327 CO -0.39 0.00 -0.22 1.63 -1.16 0.00 0.00 179.01 178.87 3gdi n LYS 328 N -3.62 0.97 -1.36 2.33 5.02 -0.40 -4.55 118.16 116.55 3gdi n LYS 328 Ca 0.02 -0.57 -0.39 0.00 -2.02 0.00 0.00 58.31 55.35 3gdi n LYS 328 Cb 0.36 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3gdi n LYS 328 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gdi n ARG 329 N -0.52 2.57 -5.21 1.97 1.74 -0.31 -4.85 116.66 112.06 3gdi n ARG 329 Ca 0.13 -2.16 -0.32 0.00 -0.77 0.00 0.00 57.85 54.73 3gdi n ARG 329 Cb 0.35 -2.98 -0.16 0.00 -1.02 0.00 0.00 32.46 28.65 3gdi n ARG 329 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gdi s ILE 330 N 3.48 2.17 0.13 0.55 1.01 -1.26 -0.76 121.20 126.52 3gdi s ILE 330 Ca 0.53 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 3gdi s ILE 330 Cb 0.14 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3gdi s ILE 330 CO -0.02 0.57 0.15 0.72 0.00 0.00 0.00 174.94 176.35 3gdi s PHE 331 N -0.11 0.55 0.16 3.97 -0.71 -0.45 -4.83 117.98 116.55 3gdi s PHE 331 Ca -0.05 -0.95 0.06 0.00 -1.04 0.00 0.00 56.93 54.95 3gdi s PHE 331 Cb -0.14 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 3gdi s PHE 331 CO 0.04 -0.58 -0.13 0.95 -1.34 0.00 0.00 175.22 174.16 3gdi s THR 332 N -3.98 1.43 0.03 -4.49 -4.23 -1.26 0.11 115.64 103.25 3gdi s THR 332 Ca 0.17 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3gdi s THR 332 Cb 0.06 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 3gdi s THR 332 CO -0.02 -0.56 -0.05 0.42 -0.54 0.00 0.00 174.62 173.87 3gdi s THR 333 N -2.72 0.25 0.00 3.99 -4.23 0.14 -2.74 115.64 110.33 3gdi s THR 333 Ca 0.15 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3gdi s THR 333 Cb -0.02 -0.37 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 3gdi s THR 333 CO 0.04 -0.46 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.64 3gdi s THR 334 N -1.42 1.02 0.03 3.99 2.01 -1.01 -0.62 115.64 119.65 3gdi s THR 334 Ca -0.14 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 3gdi s THR 334 Cb -0.10 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3gdi s THR 334 CO -0.01 0.21 0.22 -1.38 -0.69 0.00 0.00 174.62 172.97 3gdi s HIS 335 N -0.44 0.00 0.66 4.92 -3.43 -0.63 -1.34 115.29 115.04 3gdi s HIS 335 Ca 0.04 -0.17 -0.07 0.00 -0.80 0.00 0.00 55.06 54.06 3gdi s HIS 335 Cb -0.06 0.00 0.04 0.00 -1.43 0.00 0.00 32.58 31.13 3gdi s HIS 335 CO -0.00 -0.43 0.98 0.95 -2.00 0.00 0.00 174.74 174.24 3gdi s THR 336 N -2.37 2.88 0.61 -5.38 -4.23 -1.07 -1.05 115.64 105.02 3gdi s THR 336 Ca -0.07 -0.11 0.27 0.00 -1.18 0.00 0.00 61.69 60.60 3gdi s THR 336 Cb -0.02 -3.20 0.34 0.00 1.34 0.00 0.00 72.50 70.96 3gdi s THR 336 CO -0.03 -0.22 1.76 -0.65 -0.54 0.00 0.00 174.62 174.94 3gdi h PRO 337 N -0.45 0.00 -0.06 3.99 0.11 -1.84 0.26 132.00 134.01 3gdi h PRO 337 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gdi h PRO 337 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gdi h PRO 337 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 3gdi n ASN 338 N -3.39 0.36 -3.67 -2.05 0.23 -1.26 -4.09 115.26 101.39 3gdi n ASN 338 Ca 0.08 -1.83 -0.25 0.00 -0.53 0.00 0.00 54.58 52.05 3gdi n ASN 338 Cb 0.76 -0.04 0.07 0.00 -2.08 0.00 0.00 39.78 38.48 3gdi n ASN 338 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gdi s LEU 340 N -7.19 2.04 0.20 0.00 1.43 -1.26 -1.26 118.68 112.66 3gdi s LEU 340 Ca 0.52 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.78 3gdi s LEU 340 Cb -0.24 -1.34 -0.14 0.00 0.03 0.00 0.00 46.19 44.50 3gdi s LEU 340 CO 0.76 0.16 1.42 0.49 0.23 0.00 0.00 176.35 179.41 3gdi n PHE 341 N 3.45 2.06 -0.03 0.29 3.72 -0.44 -2.61 117.46 123.91 3gdi n PHE 341 Ca -0.19 0.43 0.04 0.00 -0.05 0.00 0.00 57.45 57.67 3gdi n PHE 341 Cb 0.53 -2.45 -0.12 0.00 -0.94 0.00 0.00 39.48 36.50 3gdi n PHE 341 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gdi n GLN 342 N 2.37 0.81 -3.58 -1.08 -0.00 -0.45 0.24 117.38 115.68 3gdi n GLN 342 Ca 0.14 -0.10 -0.10 0.00 -0.00 0.00 0.00 57.00 56.93 3gdi n GLN 342 Cb 0.29 -1.36 -0.02 0.00 -0.00 0.00 0.00 30.24 29.15 3gdi n GLN 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gdi s ALA 343 N -2.86 -1.45 -0.19 2.61 0.00 -1.11 -4.87 121.76 113.88 3gdi s ALA 343 Ca -0.06 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 3gdi s ALA 343 Cb 0.08 0.87 0.07 0.00 0.00 0.00 0.00 23.12 24.15 3gdi s ALA 343 CO 0.62 -0.87 0.45 0.08 0.00 0.00 0.00 175.76 176.05 3gdi s VAL 344 N -3.81 -0.22 0.70 0.00 1.01 -1.26 -2.39 120.40 114.42 3gdi s VAL 344 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3gdi s VAL 344 Cb -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3gdi s VAL 344 CO -0.06 0.04 1.08 1.51 0.00 0.00 0.00 175.10 177.68 3gdi s ASP 345 N 1.80 5.44 0.30 3.32 -4.77 -1.11 -4.84 116.67 116.81 3gdi s ASP 345 Ca -0.07 1.09 0.03 0.00 -3.30 0.00 0.00 52.55 50.30 3gdi s ASP 345 Cb -0.09 -1.90 0.75 0.00 -1.09 0.00 0.00 42.92 40.59 3gdi s ASP 345 CO -0.14 -1.33 1.62 1.05 0.70 0.00 0.00 175.17 177.07 3gdi h GLU 346 N -0.63 0.12 0.00 2.11 -0.00 -2.00 0.22 114.58 114.40 3gdi h GLU 346 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 3gdi h GLU 346 Cb 1.26 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 3gdi h GLU 346 CO 0.64 0.08 0.00 0.00 -0.00 0.00 0.00 179.01 179.72 3gdi h ARG 347 N 0.12 0.00 -0.11 1.06 3.08 -1.93 -2.61 114.38 114.00 3gdi h ARG 347 Ca 0.58 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.52 3gdi h ARG 347 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3gdi h ARG 347 CO -0.75 0.00 -0.40 0.00 -1.07 0.00 0.00 179.97 177.75 3gdi h ALA 348 N 2.08 1.11 0.54 0.04 0.00 -0.88 -3.28 119.26 118.87 3gdi h ALA 348 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3gdi h ALA 348 Cb 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gdi h ALA 348 CO 0.00 0.59 -0.26 0.28 0.00 0.00 0.00 179.25 179.85 3gdi h VAL 349 N 0.21 0.46 -0.06 0.00 2.07 -1.61 0.35 116.25 117.67 3gdi h VAL 349 Ca 0.02 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3gdi h VAL 349 Cb 0.81 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3gdi h VAL 349 CO 0.06 0.01 0.01 -0.65 0.02 0.00 0.00 177.57 177.02 3gdi h PRO 350 N -0.77 0.08 0.00 1.57 0.11 -1.75 0.16 132.00 131.40 3gdi h PRO 350 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3gdi h PRO 350 Cb 0.58 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3gdi h PRO 350 CO 0.12 0.09 -1.03 1.28 -0.21 0.00 0.00 178.00 178.25 3gdi n LEU 351 N -4.49 0.69 0.00 2.35 4.77 -1.17 0.20 117.00 119.34 3gdi n LEU 351 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3gdi n LEU 351 Cb 0.11 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3gdi n LEU 351 CO 0.35 -0.09 -0.48 0.18 -1.33 0.00 0.00 177.39 176.02 3gdi n LEU 352 N -2.36 0.00 0.00 2.23 4.77 0.10 -4.96 117.00 116.78 3gdi n LEU 352 Ca 0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3gdi n LEU 352 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3gdi n LEU 352 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3gdi n GLY 353 N 2.43 2.97 3.90 -0.72 0.00 0.54 -0.83 105.19 113.48 3gdi n GLY 353 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3gdi n GLY 353 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdi s TYR 354 N -2.11 3.49 0.19 1.61 1.51 -1.26 -4.68 117.35 116.09 3gdi s TYR 354 Ca 0.00 0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 56.75 3gdi s TYR 354 Cb 0.00 -2.17 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 3gdi s TYR 354 CO 0.00 0.06 0.39 -0.51 -1.11 0.00 0.00 175.55 174.39 3gdi s LEU 355 N -3.82 4.23 0.28 -1.29 2.01 -1.26 -4.09 118.68 114.74 3gdi s LEU 355 Ca 0.45 0.45 0.02 0.00 0.01 0.00 0.00 54.13 55.07 3gdi s LEU 355 Cb -0.10 -3.21 0.69 0.00 0.01 0.00 0.00 46.19 43.57 3gdi s LEU 355 CO 0.32 -0.03 1.68 -0.65 1.01 0.00 0.00 176.35 178.69 3gdi h PRO 356 N 2.17 0.33 -0.02 1.29 0.11 -1.93 0.13 132.00 134.09 3gdi h PRO 356 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gdi h PRO 356 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gdi h PRO 356 CO 0.69 0.22 0.07 -0.56 -0.21 0.00 0.00 178.00 178.21 3gdi h GLN 357 N 0.34 0.00 0.01 1.05 -0.00 -1.94 -0.55 115.11 114.02 3gdi h GLN 357 Ca 0.54 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.99 3gdi h GLN 357 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.50 3gdi h GLN 357 CO -0.55 0.00 -0.90 -0.44 -0.00 0.00 0.00 178.83 176.94 3gdi h ASP 358 N 0.00 0.30 0.16 0.06 3.32 -1.11 -3.34 116.42 115.80 3gdi h ASP 358 Ca 0.01 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 56.66 3gdi h ASP 358 Cb 0.15 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3gdi h ASP 358 CO -0.00 1.05 -1.99 0.18 -1.72 0.00 0.00 179.24 176.76 3gdi n LEU 359 N -3.66 0.17 -4.72 1.55 4.77 -0.71 -4.83 117.00 109.57 3gdi n LEU 359 Ca -0.04 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 3gdi n LEU 359 Cb 0.82 0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 42.06 3gdi n LEU 359 CO 0.48 0.18 1.35 -0.38 -1.33 0.00 0.00 177.39 177.70 3gdi n ILE 360 N -2.54 0.13 -0.97 -0.08 5.41 -0.30 -1.51 119.36 119.50 3gdi n ILE 360 Ca -0.15 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3gdi n ILE 360 Cb 0.81 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 3gdi n ILE 360 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gdi n GLU 361 N 3.73 -0.39 -3.97 0.38 -0.58 0.14 -4.93 120.64 115.02 3gdi n GLU 361 Ca 0.15 0.10 -0.22 0.00 -0.42 0.00 0.00 57.16 56.77 3gdi n GLU 361 Cb 0.35 -3.39 -0.02 0.00 -0.57 0.00 0.00 31.44 27.81 3gdi n GLU 361 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gdi s THR 362 N -2.08 5.26 -0.11 2.62 -4.23 -0.57 -4.76 115.64 111.77 3gdi s THR 362 Ca 0.00 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.28 3gdi s THR 362 Cb 0.00 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 3gdi s THR 362 CO 0.00 -0.29 1.70 -2.84 -0.54 0.00 0.00 174.62 172.66 3gdi s PRO 363 N -3.84 3.98 0.36 3.99 0.02 -1.26 -1.33 135.00 136.92 3gdi s PRO 363 Ca 0.34 2.03 0.05 0.00 0.02 0.00 0.00 61.00 63.44 3gdi s PRO 363 Cb -0.09 -4.04 0.71 0.00 0.02 0.00 0.00 34.50 31.10 3gdi s PRO 363 CO 0.29 -1.09 1.97 -0.24 -0.33 0.00 0.00 177.00 177.60 3gdi h VAL 364 N 5.88 1.05 -0.59 3.83 3.04 -1.53 -2.47 116.25 125.46 3gdi h VAL 364 Ca -0.38 -0.27 -0.03 0.00 -1.01 0.00 0.00 66.70 65.01 3gdi h VAL 364 Cb 1.18 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 3gdi h VAL 364 CO 0.97 0.14 0.25 -0.07 -1.01 0.00 0.00 177.57 177.86 3gdi h LEU 365 N 0.79 0.80 -1.99 3.16 4.07 -1.91 -2.39 115.31 117.84 3gdi h LEU 365 Ca 0.30 -0.16 0.27 0.00 0.08 0.00 0.00 57.88 58.38 3gdi h LEU 365 Cb 0.18 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 3gdi h LEU 365 CO -0.09 0.73 0.69 0.58 -1.08 0.00 0.00 178.44 179.27 3gdi h VAL 366 N 0.81 0.51 0.00 1.22 2.07 -1.83 0.17 116.25 119.20 3gdi h VAL 366 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 3gdi h VAL 366 Cb 0.17 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3gdi h VAL 366 CO -0.02 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.05 3gdi h GLN 367 N 0.00 0.00 -6.64 1.57 1.08 -1.50 -3.46 115.11 106.15 3gdi h GLN 367 Ca 0.45 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 57.14 3gdi h GLN 367 Cb 1.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.22 3gdi h GLN 367 CO -0.00 0.00 0.03 -0.51 -0.95 0.00 0.00 178.83 177.39 3gdi s LEU 368 N -4.57 4.07 0.30 1.46 1.43 0.59 -0.64 118.68 121.32 3gdi s LEU 368 Ca 0.10 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.04 3gdi s LEU 368 Cb 0.12 -3.94 -0.13 0.00 0.03 0.00 0.00 46.19 42.28 3gdi s LEU 368 CO 0.61 -0.19 1.29 1.57 0.23 0.00 0.00 176.35 179.87 3gdi n HIS 369 N -0.42 2.11 0.08 0.29 -0.00 -0.02 -4.77 115.22 112.48 3gdi n HIS 369 Ca 0.02 0.53 0.21 0.00 -0.00 0.00 0.00 57.72 58.48 3gdi n HIS 369 Cb 0.53 -2.41 0.72 0.00 -0.00 0.00 0.00 29.99 28.83 3gdi n HIS 369 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gdi h PRO 370 N 3.06 0.00 0.03 1.57 0.11 -1.92 -0.29 132.00 134.56 3gdi h PRO 370 Ca -0.45 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 3gdi h PRO 370 Cb 1.29 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.42 3gdi h PRO 370 CO 0.67 0.00 -0.83 1.03 -0.21 0.00 0.00 178.00 178.66 3gdi h SER 371 N 0.00 0.67 1.16 -2.05 0.87 -1.98 -3.29 113.55 108.93 3gdi h SER 371 Ca 0.21 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3gdi h SER 371 Cb 1.22 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3gdi h SER 371 CO -0.00 1.38 0.00 0.47 -0.53 0.00 0.00 176.83 178.14 3gdi n ASP 372 N -4.06 0.73 -0.24 6.23 8.00 -0.16 -4.07 116.55 122.97 3gdi n ASP 372 Ca -0.11 0.61 0.05 0.00 0.71 0.00 0.00 54.79 56.05 3gdi n ASP 372 Cb 0.79 -0.79 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 3gdi n ASP 372 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3gdi h ARG 373 N 0.00 0.20 -0.24 -1.24 3.08 -1.51 -1.36 114.38 113.31 3gdi h ARG 373 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gdi h ARG 373 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3gdi h ARG 373 CO 0.00 0.13 0.05 -1.35 -1.07 0.00 0.00 179.97 177.73 3gdi h PRO 374 N 0.21 0.34 0.00 0.04 0.11 -1.81 -1.75 132.00 129.13 3gdi h PRO 374 Ca 0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3gdi h PRO 374 Cb 0.70 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3gdi h PRO 374 CO -0.55 0.33 0.02 -0.07 -0.21 0.00 0.00 178.00 177.52 3gdi h LEU 375 N 0.34 0.00 -0.83 2.35 4.07 -1.51 -1.34 115.31 118.39 3gdi h LEU 375 Ca 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 3gdi h LEU 375 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3gdi h LEU 375 CO -0.00 0.00 -0.18 -0.03 -1.08 0.00 0.00 178.44 177.15 3gdi h MET 376 N 0.00 0.00 0.05 1.13 4.05 -1.37 -1.53 114.93 117.26 3gdi h MET 376 Ca 0.00 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.17 3gdi h MET 376 Cb 0.05 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3gdi h MET 376 CO 0.00 0.18 -1.07 1.25 0.23 0.00 0.00 176.91 177.50 3gdi h LEU 377 N 0.00 0.62 -0.18 3.39 5.85 -1.41 -2.87 115.31 120.71 3gdi h LEU 377 Ca -0.00 -0.54 -0.13 0.00 0.84 0.00 0.00 57.88 58.04 3gdi h LEU 377 Cb 0.84 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3gdi h LEU 377 CO 0.02 1.36 -0.40 0.00 -0.34 0.00 0.00 178.44 179.09 3gdi h ALA 378 N 0.59 0.29 -0.95 1.25 0.00 -1.64 -2.56 119.26 116.24 3gdi h ALA 378 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3gdi h ALA 378 Cb 1.73 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3gdi h ALA 378 CO 0.19 0.39 0.60 0.82 0.00 0.00 0.00 179.25 181.25 3gdi h ILE 379 N 0.25 1.25 -0.17 0.00 2.04 -1.36 -1.87 117.51 117.66 3gdi h ILE 379 Ca 0.00 -0.51 -0.15 0.00 1.00 0.00 0.00 64.86 65.20 3gdi h ILE 379 Cb 1.00 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3gdi h ILE 379 CO 0.09 0.26 -0.53 0.45 0.00 0.00 0.00 178.15 178.41 3gdi h HIS 380 N 1.30 0.62 -0.36 1.37 3.86 -1.51 -1.08 115.15 119.35 3gdi h HIS 380 Ca 0.35 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3gdi h HIS 380 Cb -0.10 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3gdi h HIS 380 CO 0.00 0.92 0.24 0.87 0.86 0.00 0.00 177.93 180.82 3gdi h LYS 381 N 0.39 0.47 -0.54 2.45 1.57 -1.00 0.12 116.57 120.03 3gdi h LYS 381 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3gdi h LYS 381 Cb 1.06 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 3gdi h LYS 381 CO 0.10 0.31 0.09 -0.22 -0.57 0.00 0.00 179.45 179.16 3gdi h LYS 382 N 0.49 0.86 -0.93 3.15 1.63 -1.25 0.53 116.57 121.04 3gdi h LYS 382 Ca 0.13 -0.20 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3gdi h LYS 382 Cb -0.05 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 3gdi h LYS 382 CO -0.03 0.80 0.61 0.82 -3.45 0.00 0.00 179.45 178.19 3gdi h ILE 383 N 0.82 1.19 -0.29 2.00 2.04 -0.31 1.12 117.51 124.09 3gdi h ILE 383 Ca 0.17 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3gdi h ILE 383 Cb 0.35 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3gdi h ILE 383 CO 0.01 0.22 -0.02 0.25 0.00 0.00 0.00 178.15 178.61 3gdi h LEU 384 N 1.21 0.51 -1.30 1.44 6.46 0.07 -2.85 115.31 120.85 3gdi h LEU 384 Ca 0.36 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 3gdi h LEU 384 Cb -0.06 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 3gdi h LEU 384 CO -0.10 0.71 -0.34 1.56 -0.62 0.00 0.00 178.44 179.66 3gdi h GLN 385 N 0.30 0.00 0.00 1.25 4.20 0.04 -3.05 115.11 117.85 3gdi h GLN 385 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3gdi h GLN 385 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gdi h GLN 385 CO 0.02 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 3gdi h ALA 386 N 1.66 1.00 -2.48 3.87 0.00 0.15 -3.47 119.26 120.00 3gdi h ALA 386 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3gdi h ALA 386 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3gdi h ALA 386 CO 0.04 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 179.42 3gdi n GLY 387 N 0.22 0.44 0.00 0.00 0.00 -1.15 -1.29 105.19 103.40 3gdi n GLY 387 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gdi n GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdi n GLY 388 N -0.52 2.55 3.64 -0.02 0.00 -1.26 -5.00 105.19 104.57 3gdi n GLY 388 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3gdi n GLY 388 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gdi s GLN 389 N -0.29 3.92 0.59 1.61 2.00 -0.41 -4.48 119.66 122.60 3gdi s GLN 389 Ca 0.00 1.71 -0.20 0.00 -2.00 0.00 0.00 55.36 54.87 3gdi s GLN 389 Cb 0.00 -3.98 -0.03 0.00 0.80 0.00 0.00 33.01 29.79 3gdi s GLN 389 CO 0.00 -1.14 1.32 -2.14 -0.50 0.00 0.00 175.29 172.83 3gdi s PRO 390 N 4.40 2.90 0.01 1.67 0.02 -1.26 -4.84 135.00 137.90 3gdi s PRO 390 Ca 0.68 2.13 -0.12 0.00 0.02 0.00 0.00 61.00 63.72 3gdi s PRO 390 Cb -0.25 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.21 3gdi s PRO 390 CO 0.27 -1.35 0.24 -0.59 -0.33 0.00 0.00 177.00 175.25 3gdi s PHE 391 N -1.36 -0.07 0.07 6.54 -0.71 -0.98 -4.97 117.98 116.50 3gdi s PHE 391 Ca 0.76 0.01 -0.11 0.00 -1.04 0.00 0.00 56.93 56.55 3gdi s PHE 391 Cb -0.38 0.03 -0.06 0.00 -1.21 0.00 0.00 43.02 41.40 3gdi s PHE 391 CO 0.43 -0.39 0.42 -0.51 -1.34 0.00 0.00 175.22 173.83 3gdi s ASP 392 N -1.60 6.70 0.09 1.98 -0.00 -1.26 -0.95 116.67 121.63 3gdi s ASP 392 Ca -0.11 0.86 0.08 0.00 -0.00 0.00 0.00 52.55 53.38 3gdi s ASP 392 Cb -0.04 -2.21 -0.03 0.00 -0.00 0.00 0.00 42.92 40.64 3gdi s ASP 392 CO 0.01 0.20 -0.21 -0.47 -0.00 0.00 0.00 175.17 174.70 3gdi s TYR 393 N -1.33 1.78 0.50 4.23 6.14 0.71 -4.98 117.35 124.41 3gdi s TYR 393 Ca 0.31 -0.41 -0.05 0.00 0.64 0.00 0.00 57.07 57.57 3gdi s TYR 393 Cb -0.15 -1.00 0.07 0.00 0.42 0.00 0.00 41.96 41.31 3gdi s TYR 393 CO 0.17 0.17 0.17 -1.13 0.64 0.00 0.00 175.55 175.57 3gdi n SER 394 N 1.30 -1.90 -4.76 4.32 3.41 -1.26 -3.39 113.62 111.34 3gdi n SER 394 Ca -0.19 -0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 57.85 3gdi n SER 394 Cb 0.53 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3gdi n SER 394 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3gdi s PRO 395 N -2.18 4.43 -0.02 4.33 0.04 -1.26 -4.39 135.00 135.96 3gdi s PRO 395 Ca 0.13 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.30 3gdi s PRO 395 Cb -0.02 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3gdi s PRO 395 CO 0.11 -0.10 -0.16 0.96 0.04 0.00 0.00 177.00 177.85 3gdi s ILE 396 N -0.94 1.26 -0.19 0.56 -5.25 -0.85 -4.93 121.20 110.86 3gdi s ILE 396 Ca 0.49 -0.67 -0.15 0.00 -0.99 0.00 0.00 60.65 59.33 3gdi s ILE 396 Cb -0.37 -1.05 -0.04 0.00 2.95 0.00 0.00 42.46 43.94 3gdi s ILE 396 CO 0.47 0.36 0.37 -0.13 -1.79 0.00 0.00 174.94 174.22 3gdi s ARG 397 N -0.30 4.20 -0.12 0.37 3.00 -1.26 -0.77 118.95 124.06 3gdi s ARG 397 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 55.73 55.95 3gdi s ARG 397 Cb -0.07 -3.50 -0.01 0.00 0.00 0.00 0.00 34.95 31.36 3gdi s ARG 397 CO -0.00 0.04 -0.15 0.12 0.00 0.00 0.00 175.30 175.31 3gdi s PHE 398 N 1.06 2.77 0.06 -0.53 5.36 0.04 -0.84 117.98 125.90 3gdi s PHE 398 Ca 0.18 -0.70 -0.30 0.00 -0.96 0.00 0.00 56.93 55.15 3gdi s PHE 398 Cb -0.14 -1.82 -0.05 0.00 -0.34 0.00 0.00 43.02 40.67 3gdi s PHE 398 CO 0.07 -0.24 1.06 0.50 -1.46 0.00 0.00 175.22 175.15 3gdi s ARG 399 N 0.33 4.55 0.54 10.12 3.52 0.19 -0.78 118.95 137.42 3gdi s ARG 399 Ca -0.12 1.57 0.07 0.00 -0.13 0.00 0.00 55.73 57.12 3gdi s ARG 399 Cb -0.16 -3.39 0.06 0.00 -1.56 0.00 0.00 34.95 29.91 3gdi s ARG 399 CO 0.06 -0.05 0.75 0.95 -0.81 0.00 0.00 175.30 176.20 3gdi s THR 400 N 0.68 2.45 0.25 4.11 -4.23 0.13 -4.95 115.64 114.07 3gdi s THR 400 Ca 0.53 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3gdi s THR 400 Cb -0.25 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.32 3gdi s THR 400 CO 0.30 0.00 1.89 -0.09 -0.54 0.00 0.00 174.62 176.18 3gdi h ARG 401 N 0.23 1.16 0.00 3.99 9.65 -1.12 -2.07 114.38 126.22 3gdi h ARG 401 Ca -0.35 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 3gdi h ARG 401 Cb 1.28 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3gdi h ARG 401 CO 0.43 0.77 0.00 0.27 2.80 0.00 0.00 179.97 184.24 3gdi n ASN 402 N -4.48 0.00 0.00 -3.80 0.23 -1.16 -3.86 115.26 102.18 3gdi n ASN 402 Ca 0.13 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 3gdi n ASN 402 Cb 0.12 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3gdi n ASN 402 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gdi n GLY 403 N 0.57 0.24 3.89 4.83 0.00 -0.78 -3.80 105.19 110.13 3gdi n GLY 403 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3gdi n GLY 403 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gdi s GLU 404 N -0.96 3.73 -0.15 1.61 2.02 -1.26 -4.75 118.70 118.93 3gdi s GLU 404 Ca 0.00 0.17 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 3gdi s GLU 404 Cb 0.00 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 3gdi s GLU 404 CO 0.00 0.26 0.20 0.71 0.02 0.00 0.00 175.26 176.46 3gdi s TYR 405 N -1.94 3.50 0.15 1.61 2.02 -1.26 0.18 117.35 121.61 3gdi s TYR 405 Ca 0.46 0.52 0.06 0.00 -0.37 0.00 0.00 57.07 57.73 3gdi s TYR 405 Cb -0.11 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3gdi s TYR 405 CO 0.25 0.42 0.05 0.96 -1.57 0.00 0.00 175.55 175.66 3gdi s ILE 406 N -0.09 4.07 -0.18 2.71 -4.36 0.04 -4.69 121.20 118.70 3gdi s ILE 406 Ca 0.14 -1.18 -0.07 0.00 -0.26 0.00 0.00 60.65 59.27 3gdi s ILE 406 Cb -0.12 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 3gdi s ILE 406 CO 0.03 -0.04 0.07 -0.89 0.24 0.00 0.00 174.94 174.34 3gdi s THR 407 N -1.62 4.83 0.06 8.37 2.01 -0.99 -0.78 115.64 127.52 3gdi s THR 407 Ca 0.28 -0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.35 3gdi s THR 407 Cb -0.10 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 3gdi s THR 407 CO 0.20 0.47 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.60 3gdi s LEU 408 N 0.25 2.32 -0.36 4.42 1.43 0.05 -2.59 118.68 124.20 3gdi s LEU 408 Ca 0.04 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 3gdi s LEU 408 Cb -0.12 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 3gdi s LEU 408 CO 0.00 0.24 0.25 -1.81 0.23 0.00 0.00 176.35 175.26 3gdi s ASP 409 N -1.45 6.00 -0.08 2.29 1.01 -0.87 -2.01 116.67 121.56 3gdi s ASP 409 Ca 0.13 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.79 3gdi s ASP 409 Cb -0.10 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 3gdi s ASP 409 CO 0.04 -0.30 -0.08 0.42 0.21 0.00 0.00 175.17 175.46 3gdi s THR 410 N 1.69 3.60 -0.23 -1.27 -4.23 -1.22 -1.78 115.64 112.21 3gdi s THR 410 Ca 0.05 -0.50 -0.05 0.00 -1.18 0.00 0.00 61.69 60.00 3gdi s THR 410 Cb -0.18 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 3gdi s THR 410 CO 0.10 0.58 0.01 -0.44 -0.54 0.00 0.00 174.62 174.33 3gdi s SER 411 N -0.54 4.73 0.07 3.99 0.01 0.07 -0.20 113.70 121.83 3gdi s SER 411 Ca 0.08 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.10 3gdi s SER 411 Cb -0.12 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 3gdi s SER 411 CO 0.02 -0.01 -0.00 0.26 0.41 0.00 0.00 173.24 173.91 3gdi s TRP 412 N 1.47 3.00 0.17 2.43 0.52 -0.12 -0.68 118.94 125.72 3gdi s TRP 412 Ca 0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.12 3gdi s TRP 412 Cb -0.15 -1.56 0.02 0.00 -1.15 0.00 0.00 33.47 30.63 3gdi s TRP 412 CO 0.00 0.47 0.30 0.45 0.02 0.00 0.00 176.95 178.20 3gdi n SER 413 N 0.72 -0.87 -3.63 2.95 2.88 -0.21 -2.31 113.62 113.16 3gdi n SER 413 Ca -0.11 -1.77 -0.12 0.00 -1.33 0.00 0.00 58.87 55.54 3gdi n SER 413 Cb 0.52 1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 65.43 3gdi n SER 413 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3gdi s SER 414 N -1.95 -0.30 -0.29 -3.46 1.04 -1.26 -1.85 113.70 105.63 3gdi s SER 414 Ca 0.09 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 3gdi s SER 414 Cb -0.02 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3gdi s SER 414 CO 0.07 -0.77 0.08 -0.36 0.98 0.00 0.00 173.24 173.24 3gdi s PHE 415 N -3.11 3.14 -0.27 5.02 0.08 0.13 -4.65 117.98 118.33 3gdi s PHE 415 Ca -0.01 -0.95 -0.11 0.00 0.12 0.00 0.00 56.93 55.98 3gdi s PHE 415 Cb 0.00 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3gdi s PHE 415 CO -0.07 -0.56 0.17 0.42 -0.10 0.00 0.00 175.22 175.08 3gdi s ILE 416 N 1.51 5.26 0.10 0.64 1.01 -1.26 -0.07 121.20 128.38 3gdi s ILE 416 Ca 0.03 0.15 -0.33 0.00 0.00 0.00 0.00 60.65 60.50 3gdi s ILE 416 Cb -0.17 -3.49 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 3gdi s ILE 416 CO 0.03 0.28 1.76 -3.20 0.00 0.00 0.00 174.94 173.80 3gdi n ASN 417 N 4.85 3.63 0.09 3.58 2.85 0.89 -4.85 115.26 126.30 3gdi n ASN 417 Ca -0.14 1.02 0.09 0.00 -0.11 0.00 0.00 54.58 55.44 3gdi n ASN 417 Cb 0.52 -1.48 0.41 0.00 1.24 0.00 0.00 39.78 40.47 3gdi n ASN 417 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3gdi n PRO 418 N 5.00 0.12 -0.10 1.20 -0.02 -1.26 -1.06 135.00 138.87 3gdi n PRO 418 Ca 0.18 0.41 -0.16 0.00 -2.02 0.00 0.00 63.50 61.91 3gdi n PRO 418 Cb 0.33 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3gdi n PRO 418 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gdi n TRP 419 N -1.97 0.00 1.02 6.00 8.01 -1.26 -4.54 117.44 124.70 3gdi n TRP 419 Ca 0.02 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.32 3gdi n TRP 419 Cb 0.17 -0.79 0.04 0.00 -2.01 0.00 0.00 31.31 28.72 3gdi n TRP 419 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3gdi n SER 420 N -3.25 0.96 -1.05 -0.99 3.41 -1.25 -4.96 113.62 106.49 3gdi n SER 420 Ca -0.37 -0.82 -0.14 0.00 -0.26 0.00 0.00 58.87 57.28 3gdi n SER 420 Cb 0.87 0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 65.41 3gdi n SER 420 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gdi n ARG 421 N -1.28 -1.41 -3.87 4.33 5.12 -0.23 -4.77 116.66 114.55 3gdi n ARG 421 Ca 0.06 0.97 -0.29 0.00 -1.93 0.00 0.00 57.85 56.66 3gdi n ARG 421 Cb 0.35 -5.26 -0.04 0.00 -1.16 0.00 0.00 32.46 26.35 3gdi n ARG 421 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3gdi s LYS 422 N -3.10 3.47 0.05 5.56 1.02 -1.24 -0.93 119.74 124.56 3gdi s LYS 422 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 3gdi s LYS 422 Cb 0.00 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 3gdi s LYS 422 CO 0.00 0.53 1.19 0.42 -0.92 0.00 0.00 175.35 176.58 3gdi s ILE 423 N -1.66 4.09 -0.23 2.17 1.01 -1.26 -0.08 121.20 125.24 3gdi s ILE 423 Ca 0.36 1.50 0.05 0.00 0.00 0.00 0.00 60.65 62.56 3gdi s ILE 423 Cb -0.12 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.20 3gdi s ILE 423 CO 0.28 0.10 -0.10 -1.20 0.00 0.00 0.00 174.94 174.02 3gdi n SER 424 N 4.08 1.54 -3.84 3.58 7.64 0.89 -4.71 113.62 122.80 3gdi n SER 424 Ca 0.09 -0.07 -0.12 0.00 1.01 0.00 0.00 58.87 59.78 3gdi n SER 424 Cb 0.47 -0.13 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 3gdi n SER 424 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gdi s PHE 425 N -2.52 -0.09 -0.21 1.43 0.40 -1.13 -4.17 117.98 111.69 3gdi s PHE 425 Ca -0.28 0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 3gdi s PHE 425 Cb 0.08 0.02 -0.04 0.00 0.51 0.00 0.00 43.02 43.60 3gdi s PHE 425 CO 0.67 -0.11 0.06 0.42 0.70 0.00 0.00 175.22 176.96 3gdi s ILE 426 N -0.23 4.54 -0.07 0.64 1.09 -0.22 0.18 121.20 127.13 3gdi s ILE 426 Ca -0.03 -0.11 0.03 0.00 -1.10 0.00 0.00 60.65 59.44 3gdi s ILE 426 Cb -0.02 -3.07 -0.02 0.00 -1.06 0.00 0.00 42.46 38.29 3gdi s ILE 426 CO 0.00 0.41 -0.17 0.27 -0.10 0.00 0.00 174.94 175.36 3gdi s ILE 427 N 0.85 2.81 -0.03 2.92 -4.36 -0.77 -1.60 121.20 121.02 3gdi s ILE 427 Ca 0.03 -0.79 0.04 0.00 -0.26 0.00 0.00 60.65 59.67 3gdi s ILE 427 Cb -0.14 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 3gdi s ILE 427 CO 0.02 0.57 -0.15 -0.83 0.24 0.00 0.00 174.94 174.79 3gdi s GLY 428 N -0.30 0.79 -0.22 6.27 0.00 0.21 -1.04 107.32 113.02 3gdi s GLY 428 Ca 0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 3gdi s GLY 428 CO 0.03 -0.38 -0.06 -1.60 0.00 0.00 0.00 173.10 171.08 3gdi s ARG 429 N -0.08 3.20 0.06 2.90 3.52 0.14 -0.69 118.95 128.00 3gdi s ARG 429 Ca 0.00 -0.73 0.06 0.00 -0.13 0.00 0.00 55.73 54.93 3gdi s ARG 429 Cb -0.09 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 3gdi s ARG 429 CO 0.01 -0.25 -0.13 -1.01 -0.81 0.00 0.00 175.30 173.11 3gdi s HIS 430 N 1.42 2.69 -0.09 5.12 3.76 0.12 -0.75 115.29 127.56 3gdi s HIS 430 Ca 0.04 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.82 3gdi s HIS 430 Cb -0.15 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.07 3gdi s HIS 430 CO -0.05 0.35 -0.24 0.21 -0.85 0.00 0.00 174.74 174.17 3gdi s LYS 431 N -1.78 2.89 -0.49 1.40 2.36 -0.73 -1.35 119.74 122.05 3gdi s LYS 431 Ca 0.18 -0.88 -0.23 0.00 -2.55 0.00 0.00 55.97 52.49 3gdi s LYS 431 Cb -0.11 -2.24 0.04 0.00 -1.05 0.00 0.00 37.83 34.46 3gdi s LYS 431 CO 0.09 0.23 0.82 0.08 1.55 0.00 0.00 175.35 178.11 3gdi s VAL 432 N 0.22 4.59 -0.90 4.02 1.01 0.06 -2.05 120.40 127.35 3gdi s VAL 432 Ca -0.15 0.24 0.23 0.00 0.00 0.00 0.00 61.98 62.29 3gdi s VAL 432 Cb -0.17 -4.40 -0.14 0.00 0.00 0.00 0.00 36.38 31.67 3gdi s VAL 432 CO 0.08 -0.87 1.07 -2.11 0.00 0.00 0.00 175.10 173.26 3gdi n ARG 433 N 6.90 0.07 -3.35 2.72 1.85 -1.07 -4.81 116.66 118.98 3gdi n ARG 433 Ca 0.01 -0.01 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 3gdi n ARG 433 Cb 0.47 -1.52 -0.08 0.00 -1.05 0.00 0.00 32.46 30.29 3gdi n ARG 433 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3gdi s VAL 434 N -3.05 -0.59 0.38 8.89 1.01 -1.22 -5.01 120.40 120.81 3gdi s VAL 434 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3gdi s VAL 434 Cb 0.16 -0.87 0.09 0.00 0.00 0.00 0.00 36.38 35.76 3gdi s VAL 434 CO 0.81 -0.19 0.47 0.61 0.00 0.00 0.00 175.10 176.80 3gdi n GLY 435 N 5.36 -1.56 3.90 4.51 0.00 -1.26 -2.33 105.19 113.81 3gdi n GLY 435 Ca -0.02 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 3gdi n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gdi s PRO 436 N -4.03 3.60 0.07 1.61 0.04 -1.26 -4.83 135.00 130.20 3gdi s PRO 436 Ca 0.27 0.14 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 3gdi s PRO 436 Cb -0.01 -2.47 -0.13 0.00 0.04 0.00 0.00 34.50 31.93 3gdi s PRO 436 CO 0.20 -0.04 1.59 -0.07 0.04 0.00 0.00 177.00 178.71 3gdi h LEU 437 N 0.78 0.13 -8.59 -3.56 4.07 -1.97 -3.37 115.31 102.80 3gdi h LEU 437 Ca -0.48 -0.18 -0.57 0.00 0.08 0.00 0.00 57.88 56.73 3gdi h LEU 437 Cb 1.20 -0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.82 3gdi h LEU 437 CO 0.63 0.27 0.81 0.21 -1.08 0.00 0.00 178.44 179.28 3gdi s ASN 438 N -5.49 6.45 0.59 -0.43 2.47 -1.26 -4.90 114.94 112.37 3gdi s ASN 438 Ca -0.14 0.03 0.34 0.00 0.42 0.00 0.00 52.86 53.51 3gdi s ASN 438 Cb 0.06 -2.51 1.83 0.00 -1.45 0.00 0.00 41.25 39.18 3gdi s ASN 438 CO 0.69 -1.33 2.02 1.05 -3.72 0.00 0.00 177.10 175.81 3gdi h GLU 439 N 9.38 0.00 -4.92 0.43 4.11 -1.87 -3.37 114.58 118.35 3gdi h GLU 439 Ca -0.25 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.49 3gdi h GLU 439 Cb 1.06 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.13 3gdi h GLU 439 CO 1.13 0.00 0.55 0.34 0.07 0.00 0.00 179.01 181.10 3gdi s ASP 440 N -4.59 6.45 0.24 3.06 2.15 -1.26 -4.20 116.67 118.53 3gdi s ASP 440 Ca -0.04 -1.76 0.25 0.00 0.43 0.00 0.00 52.55 51.43 3gdi s ASP 440 Cb 0.10 -2.36 0.92 0.00 -0.30 0.00 0.00 42.92 41.27 3gdi s ASP 440 CO 0.31 -1.10 1.74 0.55 -0.17 0.00 0.00 175.17 176.49 3gdi n VAL 441 N 5.44 0.73 0.36 1.11 3.14 -1.26 -3.22 118.33 124.64 3gdi n VAL 441 Ca 0.10 0.03 0.12 0.00 -2.96 0.00 0.00 64.34 61.63 3gdi n VAL 441 Cb 0.47 -0.94 0.16 0.00 -1.06 0.00 0.00 33.84 32.47 3gdi n VAL 441 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 3gdi h PHE 442 N 0.00 0.00 -3.99 1.45 0.04 -1.90 -3.08 116.94 109.47 3gdi h PHE 442 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 3gdi h PHE 442 Cb 0.51 0.00 0.19 0.00 2.20 0.00 0.00 35.95 38.85 3gdi h PHE 442 CO 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 178.31 177.80 3gdi n ALA 443 N -1.98 -0.77 -1.55 2.45 0.00 -1.20 -4.79 120.51 112.67 3gdi n ALA 443 Ca 0.03 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 3gdi n ALA 443 Cb 0.49 -2.13 0.04 0.00 0.00 0.00 0.00 19.45 17.85 3gdi n ALA 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gdi s ALA 444 N -2.27 2.55 -0.09 0.00 0.00 -1.26 -3.07 121.76 117.62 3gdi s ALA 444 Ca 0.69 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.85 3gdi s ALA 444 Cb -0.27 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3gdi s ALA 444 CO 0.56 -1.15 0.83 -2.14 0.00 0.00 0.00 175.76 173.85 3gdi s PRO 445 N -4.17 4.41 -0.09 0.00 0.03 -1.25 -4.73 135.00 129.20 3gdi s PRO 445 Ca 0.65 1.07 -0.04 0.00 0.03 0.00 0.00 61.00 62.72 3gdi s PRO 445 Cb -0.19 -3.50 -0.14 0.00 0.03 0.00 0.00 34.50 30.70 3gdi s PRO 445 CO 0.41 -0.13 2.22 -0.35 0.03 0.00 0.00 177.00 179.18 3gdi n PRO 446 N 4.42 1.20 -3.62 5.54 -0.04 -1.26 -4.67 135.00 136.58 3gdi n PRO 446 Ca 0.03 -0.64 -0.05 0.00 -0.04 0.00 0.00 63.50 62.80 3gdi n PRO 446 Cb 0.50 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 3gdi n PRO 446 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gdi n PRO 448 N 0.81 0.23 -3.15 0.00 -0.02 -1.26 -5.10 135.00 126.51 3gdi n PRO 448 Ca -0.05 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 3gdi n PRO 448 Cb 0.58 -1.38 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 3gdi n PRO 448 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3gdi s GLU 449 N -1.72 3.16 0.00 -0.52 1.03 -1.26 -5.10 118.70 114.29 3gdi s GLU 449 Ca 0.61 -0.75 0.00 0.00 0.03 0.00 0.00 54.97 54.86 3gdi s GLU 449 Cb -0.44 -4.06 0.00 0.00 -0.80 0.00 0.00 34.13 28.84 3gdi s GLU 449 CO 0.62 -1.16 0.00 -0.35 -1.33 0.00 0.00 175.26 173.04 3gdi n PRO 455 N 6.20 0.00 0.15 -4.83 -0.04 -1.26 -5.26 135.00 129.95 3gdi n PRO 455 Ca -0.05 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 3gdi n PRO 455 Cb 0.46 -0.04 0.16 0.00 -0.04 0.00 0.00 33.50 34.03 3gdi n PRO 455 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gdi h SER 456 N 0.00 0.00 -0.07 3.54 4.64 -2.04 0.39 113.55 120.01 3gdi h SER 456 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3gdi h SER 456 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3gdi h SER 456 CO 0.00 0.52 -0.87 0.58 -0.87 0.00 0.00 176.83 176.19 3gdi h VAL 457 N 0.00 1.29 -0.34 0.95 2.07 -2.00 -0.78 116.25 117.45 3gdi h VAL 457 Ca -0.01 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 3gdi h VAL 457 Cb 1.20 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3gdi h VAL 457 CO 0.07 0.65 0.14 -0.61 0.02 0.00 0.00 177.57 177.84 3gdi h GLN 458 N 0.40 0.51 -0.15 1.57 5.75 -1.94 -1.24 115.11 120.01 3gdi h GLN 458 Ca -0.09 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 3gdi h GLN 458 Cb 1.52 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.98 3gdi h GLN 458 CO 0.17 0.50 -0.09 1.05 -2.65 0.00 0.00 178.83 177.82 3gdi h GLU 459 N 0.41 0.33 -0.56 1.69 4.11 -0.94 -2.79 114.58 116.83 3gdi h GLU 459 Ca 0.11 -0.15 0.06 0.00 0.07 0.00 0.00 59.36 59.46 3gdi h GLU 459 Cb 0.18 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3gdi h GLU 459 CO -0.01 0.66 0.26 1.25 0.07 0.00 0.00 179.01 181.24 3gdi h LEU 460 N -0.01 0.33 -1.50 3.06 6.46 -1.10 0.28 115.31 122.84 3gdi h LEU 460 Ca 0.03 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 3gdi h LEU 460 Cb 0.57 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 3gdi h LEU 460 CO 0.02 0.22 0.47 0.74 -0.62 0.00 0.00 178.44 179.28 3gdi h THR 461 N 0.48 0.90 0.00 1.05 2.02 -1.18 1.00 112.91 117.18 3gdi h THR 461 Ca 0.26 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 3gdi h THR 461 Cb 0.22 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3gdi h THR 461 CO -0.21 0.10 -0.33 -0.33 0.37 0.00 0.00 175.52 175.12 3gdi h GLU 462 N 0.55 0.00 0.20 6.66 4.39 -0.67 -0.60 114.58 125.10 3gdi h GLU 462 Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 3gdi h GLU 462 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3gdi h GLU 462 CO -0.11 0.33 -0.09 1.96 -1.16 0.00 0.00 179.01 179.93 3gdi h GLN 463 N 0.00 -0.25 -0.85 2.33 4.20 -0.36 -1.71 115.11 118.46 3gdi h GLN 463 Ca -0.00 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.81 3gdi h GLN 463 Cb 0.79 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.57 3gdi h GLN 463 CO 0.04 0.12 0.55 0.82 -0.67 0.00 0.00 178.83 179.70 3gdi h ILE 464 N -0.91 0.97 0.16 2.54 2.04 -1.37 0.68 117.51 121.63 3gdi h ILE 464 Ca -0.03 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3gdi h ILE 464 Cb 0.50 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3gdi h ILE 464 CO 0.04 0.15 -0.08 -0.74 0.00 0.00 0.00 178.15 177.53 3gdi h HIS 465 N 0.83 -0.20 -0.24 1.37 2.76 -1.13 -2.26 115.15 116.29 3gdi h HIS 465 Ca 0.39 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.59 3gdi h HIS 465 Cb 0.39 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 3gdi h HIS 465 CO -0.00 0.08 0.02 -0.09 -1.30 0.00 0.00 177.93 176.64 3gdi h ARG 466 N -0.47 0.10 -0.87 5.26 9.65 -0.80 -2.53 114.38 124.73 3gdi h ARG 466 Ca -0.02 -0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.02 3gdi h ARG 466 Cb 0.36 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.82 3gdi h ARG 466 CO 0.04 0.07 0.43 1.25 2.80 0.00 0.00 179.97 184.55 3gdi h LEU 467 N 0.10 0.49 0.00 3.80 6.46 -0.82 -1.45 115.31 123.89 3gdi h LEU 467 Ca 0.11 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3gdi h LEU 467 Cb 0.13 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3gdi h LEU 467 CO -0.17 0.17 0.00 0.18 -0.62 0.00 0.00 178.44 178.00 3gdi n LEU 468 N -4.91 0.00 0.07 2.25 4.77 -0.86 -2.88 117.00 115.45 3gdi n LEU 468 Ca 0.19 0.43 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 3gdi n LEU 468 Cb 0.50 -0.43 0.43 0.00 -2.33 0.00 0.00 43.42 41.59 3gdi n LEU 468 CO 0.19 -0.20 0.82 0.23 -1.33 0.00 0.00 177.39 177.10 3gdi n MET 469 N -1.43 0.12 -2.52 3.23 2.81 -0.55 -4.40 117.12 114.38 3gdi n MET 469 Ca 0.05 0.30 -0.42 0.00 -1.81 0.00 0.00 57.70 55.82 3gdi n MET 469 Cb 0.16 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 30.94 3gdi n MET 469 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3gdi s GLN 470 N -3.15 4.50 0.99 0.03 0.74 -1.14 -4.99 119.66 116.64 3gdi s GLN 470 Ca 0.07 1.65 -0.12 0.00 0.05 0.00 0.00 55.36 57.01 3gdi s GLN 470 Cb 0.11 -3.37 0.18 0.00 1.10 0.00 0.00 33.01 31.03 3gdi s GLN 470 CO 0.38 -0.14 1.09 -2.14 -0.55 0.00 0.00 175.29 173.93 3gdi s PRO 471 N 0.82 0.51 -0.32 1.67 0.02 -1.26 -4.70 135.00 131.74 3gdi s PRO 471 Ca 0.55 0.60 0.00 0.00 0.02 0.00 0.00 61.00 62.17 3gdi s PRO 471 Cb -0.27 -1.74 0.19 0.00 0.02 0.00 0.00 34.50 32.70 3gdi s PRO 471 CO 0.30 -2.70 0.76 0.54 -0.33 0.00 0.00 177.00 175.57 3gdi s VAL 472 N -2.93 -0.72 -2.74 3.83 0.11 -0.10 -4.98 120.40 112.86 3gdi s VAL 472 Ca 0.65 0.00 0.22 0.00 -2.93 0.00 0.00 61.98 59.92 3gdi s VAL 472 Cb -0.19 -0.51 0.17 0.00 -1.53 0.00 0.00 36.38 34.32 3gdi s VAL 472 CO 0.58 0.00 1.19 -0.81 -3.33 0.00 0.00 175.10 172.73