#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqu n PRO 190 N 0.00 2.15 -1.80 -1.46 -0.02 -1.26 -4.91 135.00 127.70 3kqu n PRO 190 Ca 0.00 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 3kqu n PRO 190 Cb 0.00 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 30.94 3kqu n PRO 190 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kqu s PRO 191 N 0.60 4.13 0.34 0.52 0.02 -1.26 -4.96 135.00 134.38 3kqu s PRO 191 Ca 0.76 2.55 -0.27 0.00 0.02 0.00 0.00 61.00 64.06 3kqu s PRO 191 Cb -0.66 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 30.73 3kqu s PRO 191 CO 0.40 -0.61 1.11 0.00 -0.33 0.00 0.00 177.00 177.57 3kqu s ALA 192 N -0.05 3.28 -0.33 -1.55 0.00 -1.26 -4.95 121.76 116.90 3kqu s ALA 192 Ca 0.62 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 3kqu s ALA 192 Cb -0.47 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 3kqu s ALA 192 CO 0.48 -0.26 1.65 0.08 0.00 0.00 0.00 175.76 177.70 3kqu s VAL 193 N -1.34 3.65 0.92 0.00 1.01 -1.26 -4.99 120.40 118.39 3kqu s VAL 193 Ca 0.51 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 3kqu s VAL 193 Cb -0.29 -3.82 0.15 0.00 0.00 0.00 0.00 36.38 32.41 3kqu s VAL 193 CO 0.37 -0.49 1.13 -2.16 0.00 0.00 0.00 175.10 173.95 3kqu s PRO 194 N 5.23 1.03 0.24 2.72 0.04 -1.26 -4.97 135.00 138.04 3kqu s PRO 194 Ca 0.73 0.36 0.24 0.00 0.04 0.00 0.00 61.00 62.37 3kqu s PRO 194 Cb -0.20 -1.82 0.43 0.00 0.04 0.00 0.00 34.50 32.95 3kqu s PRO 194 CO 0.32 -2.29 1.49 1.96 0.04 0.00 0.00 177.00 178.53 3kqu h GLN 195 N -1.56 0.00 -5.20 4.56 7.50 -1.94 -3.46 115.11 115.01 3kqu h GLN 195 Ca -0.51 0.00 -0.37 0.00 0.50 0.00 0.00 58.65 58.26 3kqu h GLN 195 Cb 1.33 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.67 3kqu h GLN 195 CO 0.61 0.00 -0.75 0.95 -1.50 0.00 0.00 178.83 178.14 3kqu s THR 196 N -3.19 1.12 0.28 -0.54 -4.23 -1.26 -5.06 115.64 102.76 3kqu s THR 196 Ca 0.07 -1.60 -0.26 0.00 -1.18 0.00 0.00 61.69 58.72 3kqu s THR 196 Cb 0.10 -1.36 -0.15 0.00 1.34 0.00 0.00 72.50 72.43 3kqu s THR 196 CO 0.68 -0.44 0.56 0.33 -0.54 0.00 0.00 174.62 175.21 3kqu n PHE 197 N 0.69 -0.37 -3.64 3.99 7.35 -1.25 -4.86 117.46 119.37 3kqu n PHE 197 Ca -0.17 0.81 -0.09 0.00 -0.76 0.00 0.00 57.45 57.24 3kqu n PHE 197 Cb 0.57 -2.00 -0.07 0.00 0.35 0.00 0.00 39.48 38.33 3kqu n PHE 197 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kqu s GLN 198 N -1.20 0.56 -0.25 -4.13 0.74 -0.92 -5.01 119.66 109.44 3kqu s GLN 198 Ca 0.62 0.72 -0.07 0.00 0.05 0.00 0.00 55.36 56.68 3kqu s GLN 198 Cb -0.79 0.24 -0.03 0.00 1.10 0.00 0.00 33.01 33.53 3kqu s GLN 198 CO 0.58 -0.08 0.07 0.08 -0.55 0.00 0.00 175.29 175.40 3kqu s VAL 199 N 0.52 4.37 0.37 1.34 1.01 -1.26 -1.65 120.40 125.09 3kqu s VAL 199 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.90 3kqu s VAL 199 Cb -0.05 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 3kqu s VAL 199 CO -0.07 0.34 -0.02 0.00 0.00 0.00 0.00 175.10 175.34 3kqu s ALA 200 N 1.57 2.96 0.12 5.51 0.00 -0.26 -4.98 121.76 126.68 3kqu s ALA 200 Ca 0.06 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 49.91 3kqu s ALA 200 Cb -0.15 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3kqu s ALA 200 CO 0.04 -0.07 -0.10 -1.01 0.00 0.00 0.00 175.76 174.61 3kqu s HIS 201 N -2.76 2.70 -0.10 0.00 3.76 -1.26 -1.12 115.29 116.51 3kqu s HIS 201 Ca 0.34 -0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 55.04 3kqu s HIS 201 Cb 0.07 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.41 3kqu s HIS 201 CO 0.17 0.44 0.04 -1.17 -0.85 0.00 0.00 174.74 173.37 3kqu s LEU 202 N -2.35 0.52 -0.15 0.89 2.96 -0.71 -4.76 118.68 115.08 3kqu s LEU 202 Ca 0.22 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3kqu s LEU 202 Cb -0.10 -0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.25 3kqu s LEU 202 CO 0.14 -0.25 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.75 3kqu s HIS 203 N 2.03 2.36 -0.09 5.38 3.76 -1.26 -2.18 115.29 125.29 3kqu s HIS 203 Ca 0.04 -1.32 -0.21 0.00 -0.15 0.00 0.00 55.06 53.41 3kqu s HIS 203 Cb -0.14 -1.69 0.05 0.00 1.11 0.00 0.00 32.58 31.91 3kqu s HIS 203 CO -0.06 -0.69 0.49 0.00 -0.85 0.00 0.00 174.74 173.64 3kqu s ALA 204 N 1.35 -1.26 0.97 -1.40 0.00 -1.17 -5.03 121.76 115.22 3kqu s ALA 204 Ca 0.03 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3kqu s ALA 204 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3kqu s ALA 204 CO -0.10 -0.29 0.12 -0.35 0.00 0.00 0.00 175.76 175.14 3kqu n PRO 205 N 1.67 -0.31 -1.98 0.00 -0.04 -1.26 -3.79 135.00 129.29 3kqu n PRO 205 Ca -0.18 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 62.81 3kqu n PRO 205 Cb 0.56 -1.67 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 3kqu n PRO 205 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kqu s THR 206 N -2.31 2.55 0.00 0.52 -4.23 -1.26 -2.42 115.64 108.50 3kqu s THR 206 Ca 0.53 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 3kqu s THR 206 Cb -0.20 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.34 3kqu s THR 206 CO 0.70 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 3kqu n GLY 207 N 2.02 0.89 0.20 3.99 0.00 -1.26 -4.92 105.19 106.11 3kqu n GLY 207 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3kqu n GLY 207 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqu h SER 208 N 0.00 0.00 0.00 1.61 4.64 -1.81 -3.42 113.55 114.57 3kqu h SER 208 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kqu h SER 208 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kqu h SER 208 CO 0.00 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 3kqu n GLY 209 N -0.11 1.94 0.25 -0.77 0.00 -1.26 -4.92 105.19 100.32 3kqu n GLY 209 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 3kqu n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqu h LYS 210 N 0.00 0.19 -0.01 1.61 1.57 -1.91 -1.02 116.57 117.00 3kqu h LYS 210 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqu h LYS 210 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3kqu h LYS 210 CO 0.00 0.26 -0.40 0.43 -0.57 0.00 0.00 179.45 179.16 3kqu n SER 211 N -4.37 1.47 0.04 0.86 7.64 -1.26 -4.34 113.62 113.66 3kqu n SER 211 Ca -0.01 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.71 3kqu n SER 211 Cb 0.20 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3kqu n SER 211 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kqu n THR 212 N -0.43 0.43 0.26 0.44 -2.24 -1.00 -4.74 114.28 106.99 3kqu n THR 212 Ca 0.10 0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.86 3kqu n THR 212 Cb 0.40 -0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 67.56 3kqu n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kqu h LYS 213 N 0.00 -0.64 -0.15 -0.78 1.57 -1.49 -2.58 116.57 112.50 3kqu h LYS 213 Ca 0.00 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3kqu h LYS 213 Cb 0.00 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3kqu h LYS 213 CO 0.00 -0.43 -0.53 0.28 -0.57 0.00 0.00 179.45 178.20 3kqu h VAL 214 N -0.67 0.02 -0.08 0.50 2.07 -1.68 0.92 116.25 117.34 3kqu h VAL 214 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3kqu h VAL 214 Cb 0.55 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3kqu h VAL 214 CO 0.05 0.00 0.07 1.55 0.02 0.00 0.00 177.57 179.26 3kqu h PRO 215 N -0.57 0.00 0.09 1.57 0.13 -1.75 -1.65 132.00 129.82 3kqu h PRO 215 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3kqu h PRO 215 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3kqu h PRO 215 CO -0.44 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 177.29 3kqu h ALA 216 N 1.93 -0.12 -0.93 -0.56 0.00 -0.67 -2.29 119.26 116.62 3kqu h ALA 216 Ca 0.04 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.92 3kqu h ALA 216 Cb 0.19 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 3kqu h ALA 216 CO -0.00 -0.35 0.60 0.00 0.00 0.00 0.00 179.25 179.50 3kqu h ALA 217 N 0.28 1.97 -0.39 0.00 0.00 0.01 0.87 119.26 121.99 3kqu h ALA 217 Ca -0.01 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3kqu h ALA 217 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kqu h ALA 217 CO 0.02 -0.27 -0.33 1.88 0.00 0.00 0.00 179.25 180.55 3kqu h TYR 218 N 0.58 1.09 -0.74 0.00 0.05 -1.29 -2.85 116.97 113.80 3kqu h TYR 218 Ca 0.49 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 3kqu h TYR 218 Cb 0.99 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 3kqu h TYR 218 CO -0.00 1.13 0.33 0.00 -1.05 0.00 0.00 178.16 178.57 3kqu h ALA 219 N 0.78 1.17 -0.07 3.88 0.00 -0.35 -1.38 119.26 123.29 3kqu h ALA 219 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kqu h ALA 219 Cb 0.92 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kqu h ALA 219 CO 0.09 0.61 0.09 0.00 0.00 0.00 0.00 179.25 180.03 3kqu h ALA 220 N 1.29 1.64 -0.30 0.00 0.00 -0.71 0.17 119.26 121.35 3kqu h ALA 220 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kqu h ALA 220 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kqu h ALA 220 CO -0.03 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.14 3kqu n GLN 221 N -3.83 1.94 -1.70 0.00 6.02 -0.53 -4.88 117.38 114.39 3kqu n GLN 221 Ca -0.01 -1.19 -0.00 0.00 -0.01 0.00 0.00 57.00 55.79 3kqu n GLN 221 Cb 0.18 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.07 3kqu n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqu n GLY 222 N 0.85 0.37 3.80 1.08 0.00 0.58 -5.06 105.19 106.80 3kqu n GLY 222 Ca 0.11 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3kqu n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqu s TYR 223 N -2.02 3.22 -0.26 1.61 2.02 -1.13 -5.04 117.35 115.76 3kqu s TYR 223 Ca 0.00 0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.64 3kqu s TYR 223 Cb 0.00 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3kqu s TYR 223 CO 0.00 0.53 0.35 0.15 -1.57 0.00 0.00 175.55 175.01 3kqu s LYS 224 N -2.52 4.02 -0.07 -0.62 1.02 -1.26 -4.22 119.74 116.09 3kqu s LYS 224 Ca 0.30 0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.35 3kqu s LYS 224 Cb -0.12 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 3kqu s LYS 224 CO 0.23 -0.24 -0.22 0.08 -0.92 0.00 0.00 175.35 174.28 3kqu s VAL 225 N 1.96 2.32 -0.16 3.17 1.01 0.95 -1.20 120.40 128.46 3kqu s VAL 225 Ca 0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3kqu s VAL 225 Cb -0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3kqu s VAL 225 CO 0.10 0.57 -0.08 -0.22 0.00 0.00 0.00 175.10 175.47 3kqu s LEU 226 N -0.15 2.96 -0.26 3.92 2.96 -0.43 -0.66 118.68 127.02 3kqu s LEU 226 Ca -0.03 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3kqu s LEU 226 Cb -0.14 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.89 3kqu s LEU 226 CO 0.04 0.13 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 3kqu s VAL 227 N 0.57 2.62 -0.21 1.68 1.01 0.17 -0.38 120.40 125.85 3kqu s VAL 227 Ca -0.05 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 3kqu s VAL 227 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3kqu s VAL 227 CO 0.03 0.07 0.30 -0.76 0.00 0.00 0.00 175.10 174.73 3kqu s LEU 228 N 1.23 4.15 -0.00 3.92 1.43 -0.52 -0.89 118.68 127.99 3kqu s LEU 228 Ca -0.04 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 3kqu s LEU 228 Cb -0.18 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 3kqu s LEU 228 CO -0.04 -0.01 -0.14 0.21 0.23 0.00 0.00 176.35 176.60 3kqu s ASN 229 N 1.00 1.62 0.47 2.29 3.84 0.39 -1.17 114.94 123.37 3kqu s ASN 229 Ca 0.14 -0.28 0.27 0.00 0.21 0.00 0.00 52.86 53.20 3kqu s ASN 229 Cb -0.14 -0.17 0.96 0.00 -0.55 0.00 0.00 41.25 41.35 3kqu s ASN 229 CO 0.06 0.15 1.84 1.55 -2.79 0.00 0.00 177.10 177.90 3kqu h PRO 230 N 5.66 0.00 -5.94 0.43 0.13 -1.87 -2.51 132.00 127.91 3kqu h PRO 230 Ca -0.35 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.22 3kqu h PRO 230 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 3kqu h PRO 230 CO 0.48 0.14 -0.01 0.45 -0.23 0.00 0.00 178.00 178.84 3kqu s SER 231 N -6.05 6.88 0.09 1.44 0.15 -1.26 -4.74 113.70 110.21 3kqu s SER 231 Ca 0.02 1.05 -0.12 0.00 0.70 0.00 0.00 55.95 57.60 3kqu s SER 231 Cb 0.09 -2.36 -0.19 0.00 -1.71 0.00 0.00 66.02 61.85 3kqu s SER 231 CO 0.62 -0.04 1.24 0.58 1.20 0.00 0.00 173.24 176.83 3kqu h VAL 232 N 4.66 1.29 -0.62 4.45 2.07 -1.90 -2.16 116.25 124.04 3kqu h VAL 232 Ca -0.42 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 3kqu h VAL 232 Cb 1.19 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 3kqu h VAL 232 CO 0.75 0.68 0.32 0.00 0.02 0.00 0.00 177.57 179.34 3kqu h ALA 233 N 0.50 0.79 -0.10 1.67 0.00 -1.93 -2.09 119.26 118.10 3kqu h ALA 233 Ca -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kqu h ALA 233 Cb 1.60 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kqu h ALA 233 CO 0.19 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 3kqu h ALA 234 N 1.15 0.14 -0.11 0.00 0.00 -1.85 -2.14 119.26 116.44 3kqu h ALA 234 Ca 0.22 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kqu h ALA 234 Cb 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3kqu h ALA 234 CO -0.03 -0.12 -0.31 1.15 0.00 0.00 0.00 179.25 179.94 3kqu h THR 235 N -0.14 0.30 -0.60 0.00 2.02 -1.30 0.76 112.91 113.95 3kqu h THR 235 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 3kqu h THR 235 Cb 0.45 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3kqu h THR 235 CO 0.01 0.00 0.40 -0.07 0.37 0.00 0.00 175.52 176.23 3kqu h LEU 236 N -0.40 0.59 -1.46 2.58 3.38 -1.42 -1.63 115.31 116.95 3kqu h LEU 236 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kqu h LEU 236 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kqu h LEU 236 CO -0.34 0.40 0.00 1.23 0.09 0.00 0.00 178.44 179.83 3kqu h GLY 237 N 0.68 0.37 1.83 0.83 0.00 -0.22 -2.00 103.07 104.56 3kqu h GLY 237 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 3kqu h GLY 237 CO -0.07 0.19 -0.31 0.74 0.00 0.00 0.00 176.54 177.09 3kqu h PHE 238 N 0.34 0.23 0.47 5.60 0.04 -0.07 -2.49 116.94 121.05 3kqu h PHE 238 Ca 0.08 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3kqu h PHE 238 Cb 0.23 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3kqu h PHE 238 CO 0.01 0.50 -0.51 0.78 -0.60 0.00 0.00 178.31 178.48 3kqu h GLY 239 N 1.05 -1.26 0.88 -1.45 0.00 -1.32 0.30 103.07 101.26 3kqu h GLY 239 Ca 0.02 0.60 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 3kqu h GLY 239 CO 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 176.54 176.20 3kqu h ALA 240 N -0.85 -0.08 0.22 3.60 0.00 -1.60 -2.84 119.26 117.70 3kqu h ALA 240 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kqu h ALA 240 Cb 0.87 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3kqu h ALA 240 CO -0.09 -0.48 -0.11 -0.92 0.00 0.00 0.00 179.25 177.65 3kqu h TYR 241 N -0.20 -0.29 -0.18 0.00 5.03 -1.39 -1.97 116.97 117.96 3kqu h TYR 241 Ca -0.01 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.35 3kqu h TYR 241 Cb 0.18 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 3kqu h TYR 241 CO -0.03 -0.18 0.15 0.52 -1.32 0.00 0.00 178.16 177.30 3kqu h MET 242 N -0.31 0.00 0.52 1.82 2.86 -1.01 -0.63 114.93 118.18 3kqu h MET 242 Ca -0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3kqu h MET 242 Cb 0.24 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.90 3kqu h MET 242 CO 0.04 0.00 -0.25 1.03 1.06 0.00 0.00 176.91 178.79 3kqu h SER 243 N 0.00 -0.59 -0.21 1.22 0.87 -1.12 -1.42 113.55 112.30 3kqu h SER 243 Ca 0.09 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3kqu h SER 243 Cb 0.39 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3kqu h SER 243 CO -0.00 -0.36 0.00 2.29 -0.53 0.00 0.00 176.83 178.23 3kqu n LYS 244 N -4.24 1.54 0.00 2.24 2.85 -0.95 -2.11 118.16 117.49 3kqu n LYS 244 Ca -0.09 -0.83 0.00 0.00 -1.05 0.00 0.00 58.31 56.34 3kqu n LYS 244 Cb 0.28 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 3kqu n LYS 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kqu n ALA 245 N 0.15 0.92 -0.87 0.58 0.00 -0.27 -4.79 120.51 116.24 3kqu n ALA 245 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kqu n ALA 245 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3kqu n ALA 245 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kqu n HIS 246 N -0.55 0.00 -4.16 0.00 8.25 -0.57 -5.02 115.22 113.17 3kqu n HIS 246 Ca 0.00 -0.10 -0.35 0.00 -0.26 0.00 0.00 57.72 57.01 3kqu n HIS 246 Cb 0.00 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 3kqu n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqu n GLY 247 N -0.11 -0.38 3.02 -1.41 0.00 -0.90 -4.94 105.19 100.48 3kqu n GLY 247 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 3kqu n GLY 247 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kqu s ILE 248 N -4.03 -0.79 -0.54 -0.61 2.07 -1.09 -5.02 121.20 111.19 3kqu s ILE 248 Ca 0.16 -0.10 -0.28 0.00 -1.41 0.00 0.00 60.65 59.02 3kqu s ILE 248 Cb -0.09 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.57 3kqu s ILE 248 CO 0.97 -0.11 1.37 -1.81 -1.91 0.00 0.00 174.94 173.44 3kqu s ASP 249 N 2.68 6.23 0.71 4.50 1.11 -1.26 -3.92 116.67 126.71 3kqu s ASP 249 Ca 0.13 0.33 -0.10 0.00 0.18 0.00 0.00 52.55 53.10 3kqu s ASP 249 Cb -0.13 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.34 3kqu s ASP 249 CO -0.23 -1.62 1.07 -2.16 1.18 0.00 0.00 175.17 173.40 3kqu s PRO 250 N 5.30 2.59 0.28 8.23 0.04 -1.26 -4.36 135.00 145.82 3kqu s PRO 250 Ca 0.52 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 3kqu s PRO 250 Cb -0.10 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3kqu s PRO 250 CO 0.26 -1.12 1.01 -0.80 0.04 0.00 0.00 177.00 176.39 3kqu s ASN 251 N -4.42 7.40 -0.07 6.66 0.01 -0.61 -4.70 114.94 119.22 3kqu s ASN 251 Ca 0.58 2.06 0.04 0.00 -0.71 0.00 0.00 52.86 54.84 3kqu s ASN 251 Cb -0.11 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3kqu s ASN 251 CO 0.49 -0.03 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.23 3kqu s ILE 252 N -1.26 1.58 -0.14 0.60 -1.09 -0.20 -0.86 121.20 119.84 3kqu s ILE 252 Ca 0.45 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 3kqu s ILE 252 Cb -0.27 -1.38 0.04 0.00 -1.58 0.00 0.00 42.46 39.27 3kqu s ILE 252 CO 0.34 0.45 -0.01 -0.13 -1.23 0.00 0.00 174.94 174.37 3kqu s ARG 253 N 0.31 0.89 0.27 2.79 0.52 -0.20 -0.43 118.95 123.09 3kqu s ARG 253 Ca -0.12 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 54.76 3kqu s ARG 253 Cb -0.15 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.67 3kqu s ARG 253 CO 0.05 -0.44 0.44 0.95 0.02 0.00 0.00 175.30 176.32 3kqu s THR 254 N 1.83 0.00 0.26 0.02 -4.23 -0.51 -2.29 115.64 110.72 3kqu s THR 254 Ca 0.02 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3kqu s THR 254 Cb -0.15 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.40 3kqu s THR 254 CO -0.07 0.00 1.71 1.23 -0.54 0.00 0.00 174.62 176.95 3kqu h GLY 255 N 2.26 0.72 0.60 3.99 0.00 -1.97 -3.25 103.07 105.41 3kqu h GLY 255 Ca -0.28 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.38 3kqu h GLY 255 CO 0.39 0.51 -0.48 -2.08 0.00 0.00 0.00 176.54 174.87 3kqu h VAL 256 N 0.60 1.51 -4.09 4.60 2.07 -2.00 -3.48 116.25 115.46 3kqu h VAL 256 Ca 0.10 -2.14 -0.16 0.00 0.82 0.00 0.00 66.70 65.32 3kqu h VAL 256 Cb 0.61 2.83 -0.17 0.00 -1.52 0.00 0.00 31.29 33.04 3kqu h VAL 256 CO 0.04 0.60 -0.69 -0.60 0.02 0.00 0.00 177.57 176.94 3kqu s ARG 257 N -2.96 0.58 -0.03 1.57 3.52 -1.23 -5.15 118.95 115.25 3kqu s ARG 257 Ca -0.15 -1.08 -0.00 0.00 -0.13 0.00 0.00 55.73 54.37 3kqu s ARG 257 Cb 0.02 0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 3kqu s ARG 257 CO 0.79 -0.07 0.03 0.99 -0.81 0.00 0.00 175.30 176.23 3kqu s THR 258 N -3.17 -0.04 -0.19 4.11 2.01 -1.26 -1.42 115.64 115.68 3kqu s THR 258 Ca 0.02 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 3kqu s THR 258 Cb 0.02 -0.13 0.06 0.00 0.01 0.00 0.00 72.50 72.47 3kqu s THR 258 CO -0.06 0.12 0.03 -0.63 -0.69 0.00 0.00 174.62 173.38 3kqu s ILE 259 N 1.34 0.59 -0.45 1.82 1.01 0.43 -4.95 121.20 120.99 3kqu s ILE 259 Ca -0.06 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 3kqu s ILE 259 Cb -0.13 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.35 3kqu s ILE 259 CO -0.03 -0.19 0.34 -0.89 0.00 0.00 0.00 174.94 174.17 3kqu s THR 260 N 1.83 4.73 -0.17 2.92 2.01 -1.26 -1.03 115.64 124.67 3kqu s THR 260 Ca -0.01 -1.28 0.18 0.00 0.31 0.00 0.00 61.69 60.89 3kqu s THR 260 Cb -0.17 -3.88 -0.26 0.00 0.01 0.00 0.00 72.50 68.20 3kqu s THR 260 CO -0.08 -0.58 0.16 0.35 -0.69 0.00 0.00 174.62 173.79 3kqu n THR 261 N 5.06 1.25 -0.07 -0.82 -2.24 -1.26 -5.00 114.28 111.21 3kqu n THR 261 Ca -0.11 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3kqu n THR 261 Cb 0.43 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3kqu n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqu n GLY 262 N 1.68 0.87 3.69 3.38 0.00 -1.26 -5.07 105.19 108.48 3kqu n GLY 262 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3kqu n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqu s ALA 263 N -2.03 1.35 -2.00 4.61 0.00 -1.26 -4.92 121.76 117.51 3kqu s ALA 263 Ca 0.00 0.10 0.27 0.00 0.00 0.00 0.00 51.96 52.33 3kqu s ALA 263 Cb 0.00 -3.26 1.61 0.00 0.00 0.00 0.00 23.12 21.47 3kqu s ALA 263 CO 0.00 -2.55 1.97 -0.35 0.00 0.00 0.00 175.76 174.83 3kqu n PRO 264 N -4.04 0.86 -5.09 0.00 -0.04 -1.26 -4.74 135.00 120.69 3kqu n PRO 264 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 3kqu n PRO 264 Cb 0.54 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 3kqu n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kqu s ILE 265 N -2.00 1.78 -0.06 0.52 1.01 -1.26 -0.03 121.20 121.16 3kqu s ILE 265 Ca 0.41 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3kqu s ILE 265 Cb 0.19 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 41.17 3kqu s ILE 265 CO 0.31 0.50 -0.09 -0.89 0.00 0.00 0.00 174.94 174.77 3kqu s THR 266 N -0.18 0.89 -0.16 2.92 2.01 0.17 -1.57 115.64 119.72 3kqu s THR 266 Ca -0.01 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 3kqu s THR 266 Cb -0.12 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3kqu s THR 266 CO 0.02 0.30 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.92 3kqu s TYR 267 N 0.80 3.05 0.02 4.92 1.51 -0.04 0.41 117.35 128.02 3kqu s TYR 267 Ca -0.12 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 55.59 3kqu s TYR 267 Cb -0.15 -1.97 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 3kqu s TYR 267 CO 0.02 -0.02 0.16 0.45 -1.11 0.00 0.00 175.55 175.05 3kqu s SER 268 N 0.37 0.04 0.52 2.29 0.15 -0.07 -1.03 113.70 115.96 3kqu s SER 268 Ca -0.03 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.23 3kqu s SER 268 Cb -0.14 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 3kqu s SER 268 CO 0.03 -0.46 0.89 0.42 1.20 0.00 0.00 173.24 175.31 3kqu s THR 269 N -1.97 4.78 0.23 6.45 -4.23 -0.97 -0.46 115.64 119.47 3kqu s THR 269 Ca -0.10 0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 60.96 3kqu s THR 269 Cb -0.04 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.14 3kqu s THR 269 CO -0.01 -0.89 1.81 1.88 -0.54 0.00 0.00 174.62 176.87 3kqu h TYR 270 N 0.27 1.16 -0.22 3.99 0.05 -1.74 -1.22 116.97 119.27 3kqu h TYR 270 Ca -0.46 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.27 3kqu h TYR 270 Cb 1.19 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.56 3kqu h TYR 270 CO 0.62 0.87 0.06 0.78 -1.05 0.00 0.00 178.16 179.44 3kqu h GLY 271 N 1.15 0.25 1.62 3.88 0.00 -1.86 -0.30 103.07 107.80 3kqu h GLY 271 Ca 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 3kqu h GLY 271 CO -0.03 0.01 -0.14 1.70 0.00 0.00 0.00 176.54 178.09 3kqu h LYS 272 N 0.15 0.46 -0.36 4.80 1.63 -1.83 -1.41 116.57 120.01 3kqu h LYS 272 Ca 0.10 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3kqu h LYS 272 Cb 0.08 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 3kqu h LYS 272 CO -0.11 0.60 0.19 0.35 -3.45 0.00 0.00 179.45 177.03 3kqu h PHE 273 N 0.43 0.51 -0.42 1.91 3.57 -0.41 -2.10 116.94 120.43 3kqu h PHE 273 Ca 0.08 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3kqu h PHE 273 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3kqu h PHE 273 CO 0.02 0.41 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.38 3kqu h LEU 274 N 0.45 0.77 -1.00 0.59 3.38 -0.78 -2.35 115.31 116.38 3kqu h LEU 274 Ca 0.13 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kqu h LEU 274 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kqu h LEU 274 CO -0.02 0.93 0.00 0.00 0.09 0.00 0.00 178.44 179.44 3kqu n ALA 275 N -2.44 1.40 0.89 1.53 0.00 -0.56 -1.85 120.51 119.48 3kqu n ALA 275 Ca -0.01 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.68 3kqu n ALA 275 Cb 0.34 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.71 3kqu n ALA 275 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kqu n ASP 276 N -2.24 2.57 0.00 0.00 8.00 -0.80 -4.93 116.55 119.14 3kqu n ASP 276 Ca 0.01 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3kqu n ASP 276 Cb 0.15 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3kqu n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kqu n GLY 277 N 1.32 0.56 3.29 0.44 0.00 -0.77 -4.95 105.19 105.07 3kqu n GLY 277 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kqu n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqu n GLY 278 N -2.00 0.36 3.77 -0.02 0.00 -0.91 -4.94 105.19 101.44 3kqu n GLY 278 Ca 0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 3kqu n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqu s SER 280 N -0.79 6.30 -0.07 0.00 0.01 -1.26 -5.04 113.70 112.84 3kqu s SER 280 Ca 0.51 0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.79 3kqu s SER 280 Cb -0.35 -1.96 -0.07 0.00 0.21 0.00 0.00 66.02 63.86 3kqu s SER 280 CO 0.45 0.26 1.93 -0.83 0.41 0.00 0.00 173.24 175.46 3kqu s GLY 281 N -1.95 1.21 -1.35 3.44 0.00 -1.26 -2.57 107.32 104.84 3kqu s GLY 281 Ca 0.27 1.01 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 3kqu s GLY 281 CO 0.19 3.42 0.39 0.61 0.00 0.00 0.00 173.10 177.70 3kqu n GLY 282 N 4.78 -0.50 0.10 0.20 0.00 0.10 -4.87 105.19 105.00 3kqu n GLY 282 Ca 0.22 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 3kqu n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqu h ALA 283 N 0.99 0.23 -2.75 4.61 0.00 -1.70 -3.48 119.26 117.16 3kqu h ALA 283 Ca -0.43 -1.00 -0.15 0.00 0.00 0.00 0.00 54.91 53.33 3kqu h ALA 283 Cb 1.30 0.11 -0.19 0.00 0.00 0.00 0.00 17.79 19.01 3kqu h ALA 283 CO 0.51 1.10 -0.62 0.71 0.00 0.00 0.00 179.25 180.95 3kqu s TYR 284 N -2.64 0.24 -0.11 0.00 1.51 -1.26 -4.93 117.35 110.16 3kqu s TYR 284 Ca -0.05 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.52 3kqu s TYR 284 Cb 0.07 -0.18 -0.24 0.00 -0.11 0.00 0.00 41.96 41.50 3kqu s TYR 284 CO 0.86 -0.27 0.40 -0.25 -1.11 0.00 0.00 175.55 175.18 3kqu n ASP 285 N 1.17 1.41 -4.07 2.29 10.43 -0.34 -3.95 116.55 123.49 3kqu n ASP 285 Ca -0.21 0.24 -0.22 0.00 2.57 0.00 0.00 54.79 57.16 3kqu n ASP 285 Cb 0.57 -0.32 -0.16 0.00 1.84 0.00 0.00 41.12 43.05 3kqu n ASP 285 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kqu s ILE 286 N -2.56 1.05 -0.15 0.53 1.01 -0.81 -0.36 121.20 119.90 3kqu s ILE 286 Ca -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3kqu s ILE 286 Cb 0.07 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.66 3kqu s ILE 286 CO 0.78 0.31 -0.18 -0.63 0.00 0.00 0.00 174.94 175.22 3kqu s ILE 287 N 0.02 1.82 -0.35 2.92 1.01 -0.33 -1.31 121.20 124.97 3kqu s ILE 287 Ca -0.01 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3kqu s ILE 287 Cb -0.09 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.76 3kqu s ILE 287 CO 0.01 0.50 0.16 -0.63 0.00 0.00 0.00 174.94 174.98 3kqu s ILE 288 N 1.19 4.34 -0.94 2.92 1.01 0.49 -0.27 121.20 129.94 3kqu s ILE 288 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.60 3kqu s ILE 288 Cb -0.14 -3.39 0.09 0.00 0.01 0.00 0.00 42.46 39.04 3kqu s ILE 288 CO -0.08 -0.15 1.25 0.00 0.00 0.00 0.00 174.94 175.96 3kqu s ASP 290 N 4.20 5.71 -1.57 0.00 3.68 -0.31 -1.44 116.67 126.92 3kqu s ASP 290 Ca 0.38 1.81 -0.10 0.00 2.13 0.00 0.00 52.55 56.77 3kqu s ASP 290 Cb -0.04 -2.53 0.08 0.00 -1.45 0.00 0.00 42.92 38.98 3kqu s ASP 290 CO -0.08 -1.22 0.59 -0.62 0.13 0.00 0.00 175.17 173.97 3kqu n GLU 291 N -2.14 -3.09 0.00 4.34 -0.58 -0.18 -4.61 120.64 114.37 3kqu n GLU 291 Ca 0.09 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 3kqu n GLU 291 Cb 0.53 -4.77 0.00 0.00 -0.57 0.00 0.00 31.44 26.63 3kqu n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqu n HIS 293 N 0.30 0.02 -1.71 0.00 1.44 -1.26 -4.73 115.22 109.28 3kqu n HIS 293 Ca 0.00 0.01 -0.42 0.00 -2.01 0.00 0.00 57.72 55.30 3kqu n HIS 293 Cb 0.10 -0.32 -0.03 0.00 0.12 0.00 0.00 29.99 29.86 3kqu n HIS 293 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3kqu s SER 294 N -3.95 6.41 -0.39 4.39 0.01 -0.58 -4.90 113.70 114.69 3kqu s SER 294 Ca -0.02 2.79 0.06 0.00 1.31 0.00 0.00 55.95 60.09 3kqu s SER 294 Cb 0.15 -2.57 0.56 0.00 0.21 0.00 0.00 66.02 64.36 3kqu s SER 294 CO 0.89 -1.00 1.68 0.35 0.41 0.00 0.00 173.24 175.57 3kqu n THR 295 N 4.57 2.92 -3.38 1.44 -2.24 -1.26 -4.50 114.28 111.83 3kqu n THR 295 Ca 0.17 -2.58 -0.32 0.00 -2.27 0.00 0.00 64.05 59.05 3kqu n THR 295 Cb 0.37 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 3kqu n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqu s ASP 296 N -2.08 6.67 0.26 3.42 1.47 -1.26 -4.93 116.67 120.22 3kqu s ASP 296 Ca 0.52 0.98 -0.02 0.00 1.18 0.00 0.00 52.55 55.21 3kqu s ASP 296 Cb 0.45 -2.25 0.56 0.00 -0.34 0.00 0.00 42.92 41.34 3kqu s ASP 296 CO 0.04 -0.06 1.67 0.77 0.68 0.00 0.00 175.17 178.26 3kqu h SER 297 N 2.66 -0.02 -0.69 2.11 4.64 -1.92 -1.85 113.55 118.49 3kqu h SER 297 Ca -0.47 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3kqu h SER 297 Cb 1.17 0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.47 3kqu h SER 297 CO 0.68 -0.09 0.43 0.74 -0.87 0.00 0.00 176.83 177.72 3kqu h THR 298 N 0.24 1.19 -0.33 2.95 2.02 -1.93 0.12 112.91 117.17 3kqu h THR 298 Ca 0.47 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 3kqu h THR 298 Cb 0.87 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3kqu h THR 298 CO -0.58 0.19 -0.04 0.74 0.37 0.00 0.00 175.52 176.20 3kqu h THR 299 N 0.93 1.27 0.03 3.16 2.02 -1.69 0.10 112.91 118.73 3kqu h THR 299 Ca 0.25 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 3kqu h THR 299 Cb -0.05 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3kqu h THR 299 CO -0.05 0.34 -0.02 0.40 0.37 0.00 0.00 175.52 176.57 3kqu h ILE 300 N 0.39 0.98 -0.97 3.11 1.08 -1.10 0.85 117.51 121.85 3kqu h ILE 300 Ca 0.09 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3kqu h ILE 300 Cb 0.51 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.20 3kqu h ILE 300 CO 0.02 0.00 0.64 -0.07 -0.69 0.00 0.00 178.15 178.06 3kqu h LEU 301 N -0.05 1.10 0.12 1.44 3.38 -0.73 -0.95 115.31 119.62 3kqu h LEU 301 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kqu h LEU 301 Cb 0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kqu h LEU 301 CO 0.01 0.78 -0.06 1.23 0.09 0.00 0.00 178.44 180.49 3kqu h GLY 302 N 1.29 -0.17 1.33 0.83 0.00 -0.40 -1.37 103.07 104.59 3kqu h GLY 302 Ca 0.36 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 3kqu h GLY 302 CO -0.09 -0.06 0.24 -2.22 0.00 0.00 0.00 176.54 174.40 3kqu h ILE 303 N -0.48 1.21 -0.44 2.60 2.04 -0.75 -1.07 117.51 120.62 3kqu h ILE 303 Ca -0.02 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3kqu h ILE 303 Cb 0.39 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3kqu h ILE 303 CO 0.03 0.26 0.18 1.23 0.00 0.00 0.00 178.15 179.85 3kqu h GLY 304 N 0.96 0.71 0.64 5.37 0.00 -1.12 -0.18 103.07 109.45 3kqu h GLY 304 Ca 0.20 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3kqu h GLY 304 CO -0.02 0.36 -0.05 -0.84 0.00 0.00 0.00 176.54 175.99 3kqu h THR 305 N 0.57 0.81 0.12 4.70 2.02 -0.72 -1.66 112.91 118.75 3kqu h THR 305 Ca 0.15 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.34 3kqu h THR 305 Cb 0.19 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3kqu h THR 305 CO -0.01 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 176.29 3kqu h VAL 306 N -0.02 0.62 0.00 3.16 2.07 -0.85 -0.95 116.25 120.28 3kqu h VAL 306 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3kqu h VAL 306 Cb 0.14 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3kqu h VAL 306 CO -0.18 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.59 3kqu n LEU 307 N -5.30 0.00 -0.01 2.57 4.77 -0.11 -0.84 117.00 118.09 3kqu n LEU 307 Ca -0.07 0.46 0.07 0.00 -0.03 0.00 0.00 56.01 56.45 3kqu n LEU 307 Cb 0.21 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 3kqu n LEU 307 CO 0.29 -0.43 -0.66 -0.67 -1.33 0.00 0.00 177.39 174.59 3kqu n ASP 308 N -1.46 1.58 0.00 -1.43 2.03 -0.50 -4.70 116.55 112.06 3kqu n ASP 308 Ca 0.01 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3kqu n ASP 308 Cb 0.02 1.66 0.00 0.00 -0.72 0.00 0.00 41.12 42.08 3kqu n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqu n GLN 309 N -2.00 2.62 -0.08 -0.67 6.02 -0.48 -4.83 117.38 117.97 3kqu n GLN 309 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 3kqu n GLN 309 Cb 0.38 -0.81 -0.08 0.00 1.02 0.00 0.00 30.24 30.75 3kqu n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqu h ALA 310 N 0.00 -0.72 0.02 -1.58 0.00 -1.20 0.23 119.26 116.01 3kqu h ALA 310 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kqu h ALA 310 Cb 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3kqu h ALA 310 CO 0.00 -0.91 -0.07 1.49 0.00 0.00 0.00 179.25 179.75 3kqu h GLU 311 N -0.36 -0.13 -0.48 0.00 4.81 -1.84 -1.48 114.58 115.09 3kqu h GLU 311 Ca 0.05 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3kqu h GLU 311 Cb 0.49 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3kqu h GLU 311 CO -0.44 -0.09 0.33 1.15 -0.73 0.00 0.00 179.01 179.24 3kqu h THR 312 N -0.14 0.87 0.00 0.32 2.02 -1.82 0.20 112.91 114.36 3kqu h THR 312 Ca 0.02 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3kqu h THR 312 Cb 0.17 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3kqu h THR 312 CO -0.06 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.87 3kqu n ALA 313 N -2.56 2.20 -0.05 6.16 0.00 0.79 -4.90 120.51 122.15 3kqu n ALA 313 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kqu n ALA 313 Cb 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3kqu n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqu n GLY 314 N 1.16 0.97 3.79 0.00 0.00 0.71 0.01 105.19 111.83 3kqu n GLY 314 Ca 0.07 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3kqu n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqu s ALA 315 N -2.00 3.37 -0.13 4.61 0.00 -0.64 -4.76 121.76 122.21 3kqu s ALA 315 Ca 0.00 0.36 0.18 0.00 0.00 0.00 0.00 51.96 52.50 3kqu s ALA 315 Cb 0.00 -2.99 -0.24 0.00 0.00 0.00 0.00 23.12 19.89 3kqu s ALA 315 CO 0.00 0.27 0.41 0.54 0.00 0.00 0.00 175.76 176.98 3kqu n ARG 316 N 1.02 0.66 -3.73 0.00 1.74 0.51 -4.40 116.66 112.45 3kqu n ARG 316 Ca -0.02 0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3kqu n ARG 316 Cb 0.50 -1.61 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 3kqu n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kqu s LEU 317 N -5.37 0.68 -0.14 0.55 2.96 -0.94 -2.18 118.68 114.24 3kqu s LEU 317 Ca -0.07 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3kqu s LEU 317 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 3kqu s LEU 317 CO 0.84 -0.18 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.93 3kqu s VAL 318 N 1.54 3.56 -0.12 1.68 1.01 -0.66 -1.18 120.40 126.23 3kqu s VAL 318 Ca -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3kqu s VAL 318 Cb -0.13 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3kqu s VAL 318 CO -0.03 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.70 3kqu s VAL 319 N 0.31 2.51 -0.49 2.92 1.01 0.63 -1.10 120.40 126.19 3kqu s VAL 319 Ca -0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3kqu s VAL 319 Cb -0.15 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.33 3kqu s VAL 319 CO 0.04 0.54 0.41 -0.76 0.00 0.00 0.00 175.10 175.33 3kqu s LEU 320 N 0.42 5.84 -0.04 3.92 1.43 -0.27 0.13 118.68 130.11 3kqu s LEU 320 Ca -0.14 -1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 51.22 3kqu s LEU 320 Cb -0.17 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3kqu s LEU 320 CO 0.06 -0.74 0.03 0.00 0.23 0.00 0.00 176.35 175.93 3kqu s ALA 321 N 1.51 3.40 -0.16 4.21 0.00 -0.52 -1.74 121.76 128.46 3kqu s ALA 321 Ca 0.04 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 50.81 3kqu s ALA 321 Cb -0.27 -1.49 0.14 0.00 0.00 0.00 0.00 23.12 21.49 3kqu s ALA 321 CO 0.02 0.64 1.13 -0.08 0.00 0.00 0.00 175.76 177.47 3kqu s THR 322 N -1.05 0.00 -1.45 0.00 -1.32 -0.93 -1.01 115.64 109.89 3kqu s THR 322 Ca 0.18 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.89 3kqu s THR 322 Cb -0.12 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.81 3kqu s THR 322 CO 0.08 0.00 1.11 0.00 -2.21 0.00 0.00 174.62 173.60 3kqu n ALA 323 N 0.09 4.00 -3.48 11.08 0.00 -1.25 -3.07 120.51 127.89 3kqu n ALA 323 Ca -0.03 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 3kqu n ALA 323 Cb 0.59 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 3kqu n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kqu n THR 324 N -0.89 -0.47 -1.42 0.00 -2.24 -1.26 -4.74 114.28 103.26 3kqu n THR 324 Ca 0.07 -3.83 -0.35 0.00 -2.27 0.00 0.00 64.05 57.67 3kqu n THR 324 Cb 0.38 -1.81 0.10 0.00 -2.10 0.00 0.00 70.33 66.90 3kqu n THR 324 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kqu s PRO 325 N -0.46 2.08 0.00 -0.78 0.04 -1.26 -4.77 135.00 129.85 3kqu s PRO 325 Ca 0.32 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3kqu s PRO 325 Cb 0.04 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3kqu s PRO 325 CO -0.18 -1.91 0.32 -2.30 0.04 0.00 0.00 177.00 172.97 3kqu n PRO 326 N -2.64 0.00 -2.93 0.56 -0.02 -1.26 -2.30 135.00 126.40 3kqu n PRO 326 Ca 0.14 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3kqu n PRO 326 Cb 0.49 -0.49 0.01 0.00 -0.02 0.00 0.00 33.50 33.50 3kqu n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqu n GLY 327 N -0.97 5.05 3.11 -1.23 0.00 -1.26 -2.19 105.19 107.71 3kqu n GLY 327 Ca 0.00 -2.58 -0.19 0.00 0.00 0.00 0.00 46.02 43.25 3kqu n GLY 327 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kqu s SER 328 N -1.19 1.47 0.21 1.61 1.04 -0.97 -5.09 113.70 110.76 3kqu s SER 328 Ca 0.32 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.33 3kqu s SER 328 Cb 0.05 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 3kqu s SER 328 CO 0.08 0.02 0.39 0.54 0.98 0.00 0.00 173.24 175.25 3kqu s VAL 329 N -0.81 5.21 0.07 5.02 0.11 -1.26 -4.73 120.40 124.00 3kqu s VAL 329 Ca 0.00 -0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 58.35 3kqu s VAL 329 Cb -0.07 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 30.95 3kqu s VAL 329 CO 0.01 -0.19 1.73 -0.89 -3.33 0.00 0.00 175.10 172.44 3kqu s THR 330 N -1.88 2.97 0.10 5.04 2.01 -1.26 -4.99 115.64 117.62 3kqu s THR 330 Ca 0.38 0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.80 3kqu s THR 330 Cb -0.11 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3kqu s THR 330 CO 0.29 -0.01 -0.10 0.68 -0.69 0.00 0.00 174.62 174.80 3kqu s VAL 331 N 3.02 3.37 0.35 3.82 -7.23 -1.26 -5.09 120.40 117.38 3kqu s VAL 331 Ca 0.77 -1.25 -0.28 0.00 -1.81 0.00 0.00 61.98 59.42 3kqu s VAL 331 Cb -0.41 -2.57 -0.12 0.00 0.56 0.00 0.00 36.38 33.84 3kqu s VAL 331 CO 0.34 0.12 1.29 -2.65 -0.31 0.00 0.00 175.10 173.90 3kqu n PRO 332 N 0.74 2.11 -4.04 4.82 -0.02 -1.26 -4.99 135.00 132.37 3kqu n PRO 332 Ca -0.14 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 3kqu n PRO 332 Cb 0.52 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 3kqu n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqu s HIS 333 N -1.11 3.08 0.57 6.00 2.46 -1.26 -5.01 115.29 120.01 3kqu s HIS 333 Ca 0.56 -0.36 0.27 0.00 0.47 0.00 0.00 55.06 56.01 3kqu s HIS 333 Cb -0.56 -2.10 1.50 0.00 -0.13 0.00 0.00 32.58 31.30 3kqu s HIS 333 CO 0.62 -0.18 2.00 -1.00 -2.47 0.00 0.00 174.74 173.71 3kqu h PRO 334 N 7.43 0.00 -0.02 2.88 0.13 -1.98 -2.27 132.00 138.18 3kqu h PRO 334 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kqu h PRO 334 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kqu h PRO 334 CO 0.62 0.00 -0.25 0.09 -0.23 0.00 0.00 178.00 178.23 3kqu n ASN 335 N -4.00 1.97 -4.16 1.44 5.03 -1.26 -4.92 115.26 109.36 3kqu n ASN 335 Ca 0.07 -1.49 -0.33 0.00 0.87 0.00 0.00 54.58 53.69 3kqu n ASN 335 Cb 0.53 0.22 -0.15 0.00 -1.02 0.00 0.00 39.78 39.36 3kqu n ASN 335 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kqu s ILE 336 N -2.30 2.44 -0.11 2.41 1.01 -0.86 0.10 121.20 123.89 3kqu s ILE 336 Ca 0.25 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 3kqu s ILE 336 Cb 0.19 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3kqu s ILE 336 CO 0.46 0.39 0.64 -0.70 0.00 0.00 0.00 174.94 175.74 3kqu s GLU 337 N 1.31 4.37 -0.40 2.79 2.12 -0.04 -4.68 118.70 124.16 3kqu s GLU 337 Ca 0.03 0.74 -0.13 0.00 0.36 0.00 0.00 54.97 55.96 3kqu s GLU 337 Cb -0.15 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 30.80 3kqu s GLU 337 CO -0.09 0.01 0.26 -1.21 -0.54 0.00 0.00 175.26 173.69 3kqu s GLU 338 N 1.03 2.88 -0.22 4.30 2.02 -1.26 -0.14 118.70 127.31 3kqu s GLU 338 Ca 0.33 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 3kqu s GLU 338 Cb -0.17 -3.86 0.02 0.00 0.10 0.00 0.00 34.13 30.23 3kqu s GLU 338 CO 0.15 -0.75 -0.11 0.08 0.02 0.00 0.00 175.26 174.64 3kqu s VAL 339 N 1.60 2.59 0.69 2.63 1.01 0.68 -4.97 120.40 124.64 3kqu s VAL 339 Ca 0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3kqu s VAL 339 Cb -0.20 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3kqu s VAL 339 CO 0.08 0.32 1.17 0.00 0.00 0.00 0.00 175.10 176.67 3kqu s ALA 340 N 1.31 2.29 0.34 5.51 0.00 -1.26 -3.23 121.76 126.71 3kqu s ALA 340 Ca 0.02 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.71 3kqu s ALA 340 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3kqu s ALA 340 CO -0.07 -1.58 0.58 -0.51 0.00 0.00 0.00 175.76 174.17 3kqu s LEU 341 N -4.95 3.98 0.00 0.00 1.43 -0.44 -4.81 118.68 113.89 3kqu s LEU 341 Ca 0.72 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3kqu s LEU 341 Cb -0.26 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3kqu s LEU 341 CO 0.43 -0.29 0.00 -1.54 0.23 0.00 0.00 176.35 175.18 3kqu n SER 342 N -1.50 1.79 -0.02 2.29 3.41 -1.26 -4.92 113.62 113.41 3kqu n SER 342 Ca -0.03 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 3kqu n SER 342 Cb 0.55 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.81 3kqu n SER 342 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqu n SER 343 N -0.56 0.48 -4.70 4.04 3.41 -1.26 -0.90 113.62 114.12 3kqu n SER 343 Ca 0.00 -0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 3kqu n SER 343 Cb 0.00 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3kqu n SER 343 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kqu s THR 344 N -2.95 4.80 0.00 6.66 2.01 -1.26 -4.60 115.64 120.30 3kqu s THR 344 Ca 0.13 2.04 0.00 0.00 0.31 0.00 0.00 61.69 64.17 3kqu s THR 344 Cb 0.18 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.38 3kqu s THR 344 CO 0.66 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 3kqu n GLY 345 N 3.02 4.13 0.10 4.40 0.00 -1.26 -4.23 105.19 111.35 3kqu n GLY 345 Ca 0.08 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3kqu n GLY 345 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kqu h GLU 346 N 0.00 0.00 -4.80 1.61 9.09 -1.92 -3.44 114.58 115.13 3kqu h GLU 346 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.73 3kqu h GLU 346 Cb 0.00 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 26.85 3kqu h GLU 346 CO 0.00 0.00 -0.60 0.42 0.05 0.00 0.00 179.01 178.88 3kqu s ILE 347 N -3.16 4.17 0.35 -1.06 1.01 -1.09 -4.98 121.20 116.44 3kqu s ILE 347 Ca 0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 3kqu s ILE 347 Cb 0.12 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 3kqu s ILE 347 CO 0.67 0.08 1.33 -2.84 0.00 0.00 0.00 174.94 174.17 3kqu s PRO 348 N 1.54 4.24 -0.28 2.79 0.02 -1.26 -0.23 135.00 141.82 3kqu s PRO 348 Ca 0.03 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.31 3kqu s PRO 348 Cb -0.17 -2.99 0.16 0.00 0.02 0.00 0.00 34.50 31.52 3kqu s PRO 348 CO 0.04 -0.29 0.45 0.12 -0.33 0.00 0.00 177.00 176.99 3kqu s PHE 349 N -1.16 -1.18 -1.61 6.54 5.36 0.00 -4.82 117.98 121.10 3kqu s PHE 349 Ca 0.51 0.73 -0.08 0.00 -0.96 0.00 0.00 56.93 57.13 3kqu s PHE 349 Cb -0.40 0.05 0.07 0.00 -0.34 0.00 0.00 43.02 42.40 3kqu s PHE 349 CO 0.53 -0.93 0.33 0.66 -1.46 0.00 0.00 175.22 174.35 3kqu n TYR 350 N 5.38 -1.39 0.00 10.12 4.02 -1.26 -0.09 117.16 133.94 3kqu n TYR 350 Ca 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 57.90 58.58 3kqu n TYR 350 Cb 0.50 -2.82 0.00 0.00 -0.02 0.00 0.00 39.34 37.00 3kqu n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kqu n GLY 351 N -1.97 3.09 0.00 2.72 0.00 -1.26 -5.00 105.19 102.77 3kqu n GLY 351 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3kqu n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqu n LYS 352 N -0.74 3.55 -3.77 1.61 4.01 0.88 -4.92 118.16 118.78 3kqu n LYS 352 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 3kqu n LYS 352 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 3kqu n LYS 352 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqu s ALA 353 N -2.17 -0.64 -0.19 7.82 0.00 -0.08 -0.82 121.76 125.69 3kqu s ALA 353 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 3kqu s ALA 353 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 3kqu s ALA 353 CO 0.00 -0.39 -0.08 0.42 0.00 0.00 0.00 175.76 175.71 3kqu s ILE 354 N -2.44 3.20 0.03 0.00 1.01 0.68 -4.28 121.20 119.41 3kqu s ILE 354 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 3kqu s ILE 354 Cb -0.01 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 3kqu s ILE 354 CO -0.03 0.46 1.14 -2.84 0.00 0.00 0.00 174.94 173.67 3kqu s PRO 355 N 1.15 4.46 0.24 2.79 0.02 -1.26 -2.67 135.00 139.73 3kqu s PRO 355 Ca 0.01 1.67 -0.04 0.00 0.02 0.00 0.00 61.00 62.66 3kqu s PRO 355 Cb -0.14 -3.40 0.42 0.00 0.02 0.00 0.00 34.50 31.40 3kqu s PRO 355 CO -0.02 -0.22 1.79 0.82 -0.33 0.00 0.00 177.00 179.04 3kqu h ILE 356 N 4.63 0.83 0.00 2.83 2.04 -1.96 0.38 117.51 126.26 3kqu h ILE 356 Ca -0.41 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3kqu h ILE 356 Cb 1.21 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3kqu h ILE 356 CO 0.80 0.12 0.00 -1.84 0.00 0.00 0.00 178.15 177.24 3kqu n GLU 357 N -4.82 0.02 0.13 2.37 0.00 -1.26 -1.05 120.64 116.04 3kqu n GLU 357 Ca 0.14 0.36 0.12 0.00 0.00 0.00 0.00 57.16 57.78 3kqu n GLU 357 Cb 0.32 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.46 3kqu n GLU 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kqu h THR 358 N 0.00 0.00 0.00 3.84 1.03 -1.30 -3.35 112.91 113.12 3kqu h THR 358 Ca 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3kqu h THR 358 Cb 0.06 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 3kqu h THR 358 CO 0.00 0.00 0.00 2.30 -0.01 0.00 0.00 175.52 177.81 3kqu n ILE 359 N -2.59 0.22 -2.66 0.00 -5.35 -0.24 -4.99 119.36 103.75 3kqu n ILE 359 Ca 0.03 -0.29 -0.42 0.00 -0.27 0.00 0.00 62.75 61.80 3kqu n ILE 359 Cb 0.49 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.49 3kqu n ILE 359 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3kqu s LYS 360 N -0.22 3.38 0.00 6.28 2.20 -0.21 -4.71 119.74 126.46 3kqu s LYS 360 Ca 0.00 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 3kqu s LYS 360 Cb 0.00 -4.72 0.00 0.00 -1.51 0.00 0.00 37.83 31.60 3kqu s LYS 360 CO 0.00 -2.06 0.00 0.41 -0.36 0.00 0.00 175.35 173.34 3kqu n GLY 361 N 5.93 2.08 0.02 5.54 0.00 -1.26 -4.96 105.19 112.54 3kqu n GLY 361 Ca 0.16 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3kqu n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqu n GLY 362 N 2.18 -4.13 3.49 -0.02 0.00 -1.26 -4.95 105.19 100.50 3kqu n GLY 362 Ca 0.00 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 3kqu n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqu s ARG 363 N -0.96 3.65 0.01 1.61 0.52 -1.26 -1.67 118.95 120.86 3kqu s ARG 363 Ca 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 3kqu s ARG 363 Cb 0.00 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 3kqu s ARG 363 CO 0.00 0.20 -0.02 -1.01 0.02 0.00 0.00 175.30 174.49 3kqu s HIS 364 N 0.46 0.22 -0.14 -0.53 3.76 -0.09 0.50 115.29 119.46 3kqu s HIS 364 Ca -0.03 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 3kqu s HIS 364 Cb -0.14 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.41 3kqu s HIS 364 CO 0.03 -0.11 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.42 3kqu s LEU 365 N -0.91 2.13 -0.21 0.89 2.96 -0.89 -0.84 118.68 121.81 3kqu s LEU 365 Ca -0.09 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 3kqu s LEU 365 Cb -0.06 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.18 3kqu s LEU 365 CO -0.01 0.08 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.36 3kqu s ILE 366 N 0.84 2.79 -0.13 6.68 1.01 0.19 -1.35 121.20 131.24 3kqu s ILE 366 Ca -0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 3kqu s ILE 366 Cb -0.15 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3kqu s ILE 366 CO -0.03 0.44 0.68 -0.36 0.00 0.00 0.00 174.94 175.67 3kqu s PHE 367 N 1.38 3.48 -0.04 3.97 0.40 0.15 -0.77 117.98 126.56 3kqu s PHE 367 Ca 0.05 1.12 0.04 0.00 -0.60 0.00 0.00 56.93 57.54 3kqu s PHE 367 Cb -0.14 -2.81 -0.00 0.00 0.51 0.00 0.00 43.02 40.57 3kqu s PHE 367 CO -0.07 -0.04 -0.17 0.00 0.70 0.00 0.00 175.22 175.64 3kqu h HIS 369 N 6.18 0.00 -4.14 0.00 2.07 -1.86 -3.36 115.15 114.04 3kqu h HIS 369 Ca -0.33 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.05 3kqu h HIS 369 Cb 1.17 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 30.98 3kqu h HIS 369 CO 0.43 0.00 -0.69 -1.54 -3.07 0.00 0.00 177.93 173.06 3kqu s SER 370 N -5.15 0.42 0.34 3.10 1.04 -1.26 -4.53 113.70 107.65 3kqu s SER 370 Ca -0.04 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.60 3kqu s SER 370 Cb 0.12 0.16 0.60 0.00 0.10 0.00 0.00 66.02 67.00 3kqu s SER 370 CO 0.41 -0.49 1.90 0.11 0.98 0.00 0.00 173.24 176.16 3kqu h LYS 371 N 3.69 0.62 -0.18 4.02 1.57 -1.98 -2.30 116.57 122.01 3kqu h LYS 371 Ca -0.33 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.37 3kqu h LYS 371 Cb 1.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 3kqu h LYS 371 CO 0.57 0.57 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.79 3kqu h LYS 372 N 0.61 0.05 -0.25 3.15 3.64 -1.98 -0.48 116.57 121.31 3kqu h LYS 372 Ca 0.14 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3kqu h LYS 372 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3kqu h LYS 372 CO -0.00 0.03 -0.29 0.87 -2.27 0.00 0.00 179.45 177.79 3kqu h LYS 373 N 0.05 0.50 -0.82 1.90 1.57 -1.90 -2.24 116.57 115.64 3kqu h LYS 373 Ca 0.09 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3kqu h LYS 373 Cb 0.11 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 3kqu h LYS 373 CO -0.15 0.74 0.49 0.00 -0.57 0.00 0.00 179.45 179.96 3kqu h ASP 375 N 0.86 -0.01 0.05 0.00 3.45 -0.78 -1.68 116.42 118.31 3kqu h ASP 375 Ca 0.37 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 3kqu h ASP 375 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3kqu h ASP 375 CO -0.20 0.28 -0.03 -0.33 -1.57 0.00 0.00 179.24 177.39 3kqu h GLU 376 N -0.29 -0.07 0.12 3.56 5.08 -1.03 -1.57 114.58 120.38 3kqu h GLU 376 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3kqu h GLU 376 Cb 0.29 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3kqu h GLU 376 CO 0.00 0.04 -0.15 1.25 -1.00 0.00 0.00 179.01 179.16 3kqu h LEU 377 N -0.16 -0.39 -0.85 1.33 6.46 -0.86 0.31 115.31 121.14 3kqu h LEU 377 Ca -0.01 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 57.94 3kqu h LEU 377 Cb 0.14 0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.12 3kqu h LEU 377 CO 0.01 -0.22 0.44 0.00 -0.62 0.00 0.00 178.44 178.05 3kqu h ALA 378 N 0.53 1.28 0.53 1.25 0.00 -1.26 0.10 119.26 121.70 3kqu h ALA 378 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kqu h ALA 378 Cb 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kqu h ALA 378 CO -0.05 -0.09 -0.25 0.00 0.00 0.00 0.00 179.25 178.85 3kqu h ALA 379 N 1.56 -0.71 -0.81 0.00 0.00 -0.47 0.69 119.26 119.53 3kqu h ALA 379 Ca 0.47 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.38 3kqu h ALA 379 Cb 0.66 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3kqu h ALA 379 CO -0.37 -0.82 0.06 -0.22 0.00 0.00 0.00 179.25 177.90 3kqu h LYS 380 N -0.86 0.12 -0.28 0.00 1.63 0.65 0.94 116.57 118.76 3kqu h LYS 380 Ca -0.07 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.61 3kqu h LYS 380 Cb 0.60 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 3kqu h LYS 380 CO 0.12 0.08 -0.25 -0.07 -3.45 0.00 0.00 179.45 175.87 3kqu h LEU 381 N 0.12 0.71 -1.09 5.20 3.38 -0.60 -3.07 115.31 119.96 3kqu h LEU 381 Ca 0.46 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kqu h LEU 381 Cb 0.85 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3kqu h LEU 381 CO -0.69 1.02 0.42 0.28 0.09 0.00 0.00 178.44 179.56 3kqu h SER 382 N 0.40 0.93 0.00 -0.43 0.02 0.54 -1.40 113.55 113.61 3kqu h SER 382 Ca 0.05 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3kqu h SER 382 Cb 0.82 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3kqu h SER 382 CO 0.06 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 3kqu n GLY 383 N -1.20 1.89 0.00 -3.77 0.00 0.19 -2.04 105.19 100.26 3kqu n GLY 383 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kqu n GLY 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqu n LEU 384 N 0.89 0.00 0.00 0.99 4.32 -0.54 -5.00 117.00 117.66 3kqu n LEU 384 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 3kqu n LEU 384 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3kqu n LEU 384 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 3kqu n GLY 385 N 0.31 1.23 3.85 -0.72 0.00 -0.86 -5.11 105.19 103.90 3kqu n GLY 385 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kqu n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqu s LEU 386 N 0.00 4.19 -1.17 0.99 1.43 -1.16 -5.02 118.68 117.94 3kqu s LEU 386 Ca 0.00 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.19 3kqu s LEU 386 Cb 0.00 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.88 3kqu s LEU 386 CO 0.00 0.29 1.61 0.21 0.23 0.00 0.00 176.35 178.69 3kqu s ASN 387 N -1.71 6.66 0.06 2.29 2.47 -1.26 -4.09 114.94 119.36 3kqu s ASN 387 Ca 0.24 -1.97 0.03 0.00 0.42 0.00 0.00 52.86 51.57 3kqu s ASN 387 Cb -0.12 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 3kqu s ASN 387 CO 0.14 -1.35 0.06 0.00 -3.72 0.00 0.00 177.10 172.23 3kqu s ALA 388 N 4.66 3.50 -0.06 1.71 0.00 -1.26 -1.40 121.76 128.91 3kqu s ALA 388 Ca 0.51 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 3kqu s ALA 388 Cb 0.02 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.75 3kqu s ALA 388 CO -0.00 0.72 0.28 0.14 0.00 0.00 0.00 175.76 176.90 3kqu s VAL 389 N -1.31 0.03 0.07 0.00 -7.23 -0.25 -4.86 120.40 106.85 3kqu s VAL 389 Ca 0.27 -0.29 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 3kqu s VAL 389 Cb -0.12 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 3kqu s VAL 389 CO 0.19 -0.16 0.09 0.00 -0.31 0.00 0.00 175.10 174.92 3kqu s ALA 390 N -0.65 3.62 -0.12 1.32 0.00 -1.26 -0.69 121.76 123.99 3kqu s ALA 390 Ca -0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 3kqu s ALA 390 Cb -0.04 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.62 3kqu s ALA 390 CO 0.02 0.75 0.30 -0.47 0.00 0.00 0.00 175.76 176.36 3kqu s TYR 391 N -1.38 -0.38 0.24 0.00 6.14 -0.24 -4.90 117.35 116.84 3kqu s TYR 391 Ca 0.29 0.88 -0.21 0.00 0.64 0.00 0.00 57.07 58.67 3kqu s TYR 391 Cb -0.12 0.12 0.05 0.00 0.42 0.00 0.00 41.96 42.43 3kqu s TYR 391 CO 0.22 -0.22 0.88 1.52 0.64 0.00 0.00 175.55 178.58 3kqu s TYR 392 N 0.80 -0.05 -0.13 4.97 1.13 -1.26 -2.91 117.35 119.91 3kqu s TYR 392 Ca -0.05 -0.40 -0.36 0.00 -1.41 0.00 0.00 57.07 54.85 3kqu s TYR 392 Cb -0.06 0.72 -0.13 0.00 -1.10 0.00 0.00 41.96 41.38 3kqu s TYR 392 CO -0.05 -1.12 1.82 -2.13 -2.51 0.00 0.00 175.55 171.56 3kqu n ARG 393 N -0.53 1.87 0.00 -3.49 0.63 -1.26 -1.47 116.66 112.41 3kqu n ARG 393 Ca -0.05 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 3kqu n ARG 393 Cb 0.60 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 31.03 3kqu n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kqu n GLY 394 N 4.28 1.51 3.96 5.14 0.00 -1.26 -5.10 105.19 113.73 3kqu n GLY 394 Ca 0.23 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3kqu n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqu s LEU 395 N 0.00 2.87 -0.21 0.99 1.43 -0.54 -5.06 118.68 118.16 3kqu s LEU 395 Ca 0.00 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 3kqu s LEU 395 Cb 0.00 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3kqu s LEU 395 CO 0.00 -1.97 0.16 -0.62 0.23 0.00 0.00 176.35 174.15 3kqu s ASP 396 N -4.69 6.20 0.59 2.29 2.15 -1.26 -4.90 116.67 117.05 3kqu s ASP 396 Ca 0.66 0.22 0.20 0.00 0.43 0.00 0.00 52.55 54.06 3kqu s ASP 396 Cb -0.07 -2.11 1.09 0.00 -0.30 0.00 0.00 42.92 41.54 3kqu s ASP 396 CO 0.46 0.13 1.59 0.58 -0.17 0.00 0.00 175.17 177.76 3kqu h VAL 397 N 4.81 0.00 0.00 1.11 2.07 -1.97 -0.26 116.25 122.01 3kqu h VAL 397 Ca -0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kqu h VAL 397 Cb 1.16 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3kqu h VAL 397 CO 0.72 0.00 -0.02 0.28 0.02 0.00 0.00 177.57 178.57 3kqu h SER 398 N 0.00 0.00 0.06 0.57 0.02 -2.03 -2.70 113.55 109.47 3kqu h SER 398 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kqu h SER 398 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3kqu h SER 398 CO 0.00 0.02 0.00 -0.37 -1.14 0.00 0.00 176.83 175.34 3kqu h VAL 399 N 0.00 0.00 -3.50 2.27 -1.51 -1.44 -3.38 116.25 108.68 3kqu h VAL 399 Ca -0.00 -0.03 -0.68 0.00 -1.23 0.00 0.00 66.70 64.76 3kqu h VAL 399 Cb 0.38 0.98 -0.17 0.00 -2.13 0.00 0.00 31.29 30.34 3kqu h VAL 399 CO 0.00 0.00 -0.04 -0.63 -1.23 0.00 0.00 177.57 175.67 3kqu s ILE 400 N -4.06 4.95 0.44 7.19 1.01 -1.02 -4.98 121.20 124.74 3kqu s ILE 400 Ca -0.04 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 3kqu s ILE 400 Cb 0.12 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3kqu s ILE 400 CO 0.40 -0.56 1.41 -0.81 0.00 0.00 0.00 174.94 175.37 3kqu n PRO 401 N 5.95 2.23 0.20 2.79 -0.04 -1.26 -4.89 135.00 139.97 3kqu n PRO 401 Ca -0.05 0.79 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 3kqu n PRO 401 Cb 0.47 -2.60 0.43 0.00 -0.04 0.00 0.00 33.50 31.77 3kqu n PRO 401 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3kqu h THR 402 N 2.30 1.08 -3.65 0.52 2.02 -1.96 -3.46 112.91 109.76 3kqu h THR 402 Ca -0.50 -1.12 -0.16 0.00 0.77 0.00 0.00 66.41 65.39 3kqu h THR 402 Cb 1.27 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 69.26 3kqu h THR 402 CO 0.61 0.31 0.00 -0.94 0.37 0.00 0.00 175.52 175.87 3kqu s SER 403 N -6.74 0.53 0.00 4.18 1.04 -1.26 -5.01 113.70 106.44 3kqu s SER 403 Ca -0.02 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.08 3kqu s SER 403 Cb 0.14 0.74 0.00 0.00 0.10 0.00 0.00 66.02 67.00 3kqu s SER 403 CO 0.69 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3kqu n GLY 404 N -0.55 -0.03 3.77 7.32 0.00 -1.26 -4.92 105.19 109.52 3kqu n GLY 404 Ca -0.03 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 3kqu n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqu s ASP 405 N -1.91 6.42 -0.09 1.61 1.01 -1.26 -4.69 116.67 117.75 3kqu s ASP 405 Ca 0.00 2.98 -0.30 0.00 0.71 0.00 0.00 52.55 55.94 3kqu s ASP 405 Cb 0.00 -2.66 0.10 0.00 1.01 0.00 0.00 42.92 41.37 3kqu s ASP 405 CO 0.00 -0.82 0.87 0.54 0.21 0.00 0.00 175.17 175.97 3kqu s VAL 406 N -1.03 0.00 -0.20 -1.27 0.11 -0.67 -4.84 120.40 112.51 3kqu s VAL 406 Ca 0.53 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.58 3kqu s VAL 406 Cb -0.45 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.45 3kqu s VAL 406 CO 0.60 0.00 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.70 3kqu s ILE 407 N -1.46 1.20 -0.23 7.04 1.01 -0.50 -0.91 121.20 127.35 3kqu s ILE 407 Ca -0.04 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 3kqu s ILE 407 Cb -0.00 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 3kqu s ILE 407 CO 0.03 -0.03 0.15 -0.69 0.00 0.00 0.00 174.94 174.41 3kqu s VAL 408 N 1.57 5.37 -0.31 2.92 1.01 -0.02 -1.09 120.40 129.85 3kqu s VAL 408 Ca -0.02 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3kqu s VAL 408 Cb -0.17 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.74 3kqu s VAL 408 CO -0.07 0.37 0.08 -0.69 0.00 0.00 0.00 175.10 174.79 3kqu s VAL 409 N 0.86 3.80 0.23 2.92 1.01 0.14 0.56 120.40 129.92 3kqu s VAL 409 Ca 0.08 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3kqu s VAL 409 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3kqu s VAL 409 CO 0.03 -0.01 0.15 0.00 0.00 0.00 0.00 175.10 175.26 3kqu s ALA 410 N 1.45 1.41 0.15 5.51 0.00 0.05 -1.08 121.76 129.24 3kqu s ALA 410 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.19 3kqu s ALA 410 Cb -0.18 1.33 0.00 0.00 0.00 0.00 0.00 23.12 24.27 3kqu s ALA 410 CO 0.02 -0.57 0.00 0.25 0.00 0.00 0.00 175.76 175.46 3kqu n THR 411 N -0.37 0.00 0.31 0.00 -2.24 -1.14 -1.06 114.28 109.78 3kqu n THR 411 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3kqu n THR 411 Cb 0.65 -1.15 0.03 0.00 -2.10 0.00 0.00 70.33 67.77 3kqu n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kqu n ASP 412 N -2.67 0.00 0.21 3.42 8.00 -1.26 -2.11 116.55 122.14 3kqu n ASP 412 Ca 0.00 -0.28 0.05 0.00 0.71 0.00 0.00 54.79 55.27 3kqu n ASP 412 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.57 3kqu n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqu h ALA 413 N 1.50 1.53 -0.42 2.24 0.00 -1.90 -1.96 119.26 120.24 3kqu h ALA 413 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3kqu h ALA 413 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3kqu h ALA 413 CO 0.00 0.31 0.04 1.28 0.00 0.00 0.00 179.25 180.88 3kqu n LEU 414 N -4.15 4.47 0.08 0.00 4.77 -0.90 -4.69 117.00 116.57 3kqu n LEU 414 Ca -0.02 -3.52 -0.22 0.00 -0.03 0.00 0.00 56.01 52.22 3kqu n LEU 414 Cb 0.31 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 3kqu n LEU 414 CO 0.37 1.05 -0.02 -0.03 -1.33 0.00 0.00 177.39 177.43 3kqu h MET 415 N 1.31 0.55 -6.60 3.23 4.05 -1.52 -3.45 114.93 112.51 3kqu h MET 415 Ca 0.21 -0.75 -0.64 0.00 -0.28 0.00 0.00 59.70 58.25 3kqu h MET 415 Cb 1.78 0.25 -0.22 0.00 -0.80 0.00 0.00 31.60 32.61 3kqu h MET 415 CO 0.44 1.33 -0.85 0.95 0.23 0.00 0.00 176.91 179.02 3kqu s THR 416 N -2.91 2.06 0.00 -0.77 -4.23 -1.26 -4.08 115.64 104.45 3kqu s THR 416 Ca -0.11 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3kqu s THR 416 Cb 0.04 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3kqu s THR 416 CO 0.91 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.60 3kqu n GLY 417 N 0.90 0.92 3.77 3.99 0.00 -1.26 -4.71 105.19 108.80 3kqu n GLY 417 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3kqu n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqu s PHE 418 N 0.00 2.94 -0.19 1.61 5.36 -1.26 -4.84 117.98 121.60 3kqu s PHE 418 Ca 0.00 1.39 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 3kqu s PHE 418 Cb 0.00 -3.71 0.04 0.00 -0.34 0.00 0.00 43.02 39.01 3kqu s PHE 418 CO 0.00 -2.03 -0.13 0.99 -1.46 0.00 0.00 175.22 172.60 3kqu s THR 419 N -1.18 1.75 -0.16 0.12 2.01 -1.26 -4.82 115.64 112.10 3kqu s THR 419 Ca 0.52 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.57 3kqu s THR 419 Cb -0.40 -1.75 0.10 0.00 0.01 0.00 0.00 72.50 70.46 3kqu s THR 419 CO 0.53 0.26 1.07 0.61 -0.69 0.00 0.00 174.62 176.39 3kqu n GLY 420 N 4.66 3.24 3.61 4.40 0.00 -1.26 -5.00 105.19 114.84 3kqu n GLY 420 Ca -0.16 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 3kqu n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqu n ASP 421 N -0.47 -1.74 -4.78 1.61 4.64 -1.26 -4.96 116.55 109.59 3kqu n ASP 421 Ca 0.04 -0.74 -0.39 0.00 -1.38 0.00 0.00 54.79 52.32 3kqu n ASP 421 Cb 0.34 -4.44 -0.06 0.00 -1.04 0.00 0.00 41.12 35.92 3kqu n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kqu s PHE 422 N -3.54 3.78 -0.04 -0.67 0.08 -1.26 -4.77 117.98 111.56 3kqu s PHE 422 Ca 0.04 1.37 0.17 0.00 0.12 0.00 0.00 56.93 58.63 3kqu s PHE 422 Cb -0.02 -2.66 0.30 0.00 -0.57 0.00 0.00 43.02 40.07 3kqu s PHE 422 CO 0.78 0.44 1.55 -0.44 -0.10 0.00 0.00 175.22 177.45 3kqu h ASP 423 N 5.04 0.00 -5.16 1.36 3.32 -0.32 -3.38 116.42 117.27 3kqu h ASP 423 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 3kqu h ASP 423 Cb 1.21 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 3kqu h ASP 423 CO 0.67 0.46 -0.07 -0.94 -1.72 0.00 0.00 179.24 177.64 3kqu s SER 424 N -6.43 -0.15 -0.01 6.45 1.04 -1.20 -1.88 113.70 111.52 3kqu s SER 424 Ca 0.03 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.78 3kqu s SER 424 Cb 0.09 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3kqu s SER 424 CO 0.72 -1.06 -0.04 -0.69 0.98 0.00 0.00 173.24 173.16 3kqu s VAL 425 N -3.93 0.35 -0.16 5.02 1.01 -0.18 -2.09 120.40 120.42 3kqu s VAL 425 Ca 0.14 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3kqu s VAL 425 Cb -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3kqu s VAL 425 CO 0.01 0.12 -0.18 -0.63 0.00 0.00 0.00 175.10 174.43 3kqu s ILE 426 N 0.14 1.86 -0.15 2.22 1.01 -0.46 0.17 121.20 126.00 3kqu s ILE 426 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3kqu s ILE 426 Cb -0.05 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3kqu s ILE 426 CO -0.00 0.51 -0.13 -0.62 0.00 0.00 0.00 174.94 174.69 3kqu s ASP 427 N 1.34 3.89 0.23 3.58 2.15 0.10 -0.68 116.67 127.28 3kqu s ASP 427 Ca 0.04 -0.39 0.24 0.00 0.43 0.00 0.00 52.55 52.87 3kqu s ASP 427 Cb -0.13 -1.60 0.92 0.00 -0.30 0.00 0.00 42.92 41.81 3kqu s ASP 427 CO -0.11 0.12 1.73 0.00 -0.17 0.00 0.00 175.17 176.73 3kqu n ASN 429 N -2.20 -4.68 -4.52 0.00 5.03 -1.26 -4.66 115.26 102.97 3kqu n ASN 429 Ca 0.03 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.22 3kqu n ASN 429 Cb 0.30 -2.55 -0.10 0.00 -1.02 0.00 0.00 39.78 36.41 3kqu n ASN 429 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3kqu s THR 430 N -1.34 2.87 0.08 3.41 -4.23 -1.26 -0.84 115.64 114.33 3kqu s THR 430 Ca 0.00 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3kqu s THR 430 Cb 0.00 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3kqu s THR 430 CO 0.00 -0.16 0.15 0.00 -0.54 0.00 0.00 174.62 174.07 3kqu s VAL 432 N -3.87 5.39 0.29 0.00 1.01 -1.26 -0.83 120.40 121.13 3kqu s VAL 432 Ca 0.05 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3kqu s VAL 432 Cb 0.05 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3kqu s VAL 432 CO -0.11 0.41 0.11 0.28 0.00 0.00 0.00 175.10 175.79 3kqu s THR 433 N 0.55 0.61 0.07 3.92 -1.32 0.07 -5.00 115.64 114.54 3kqu s THR 433 Ca 0.08 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.63 3kqu s THR 433 Cb -0.12 -2.61 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 3kqu s THR 433 CO -0.00 0.00 -0.19 -1.10 -2.21 0.00 0.00 174.62 171.12 3kqu s GLN 434 N -3.93 1.13 0.07 7.08 -0.21 -1.26 -0.94 119.66 121.59 3kqu s GLN 434 Ca 0.36 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.76 3kqu s GLN 434 Cb 0.07 -1.27 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 3kqu s GLN 434 CO 0.15 0.31 -0.08 0.99 -2.12 0.00 0.00 175.29 174.53 3kqu s THR 435 N -1.02 0.68 -0.08 -0.19 2.01 0.19 -4.80 115.64 112.42 3kqu s THR 435 Ca 0.05 -1.39 0.03 0.00 0.31 0.00 0.00 61.69 60.69 3kqu s THR 435 Cb -0.09 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3kqu s THR 435 CO 0.03 -0.52 -0.19 0.54 -0.69 0.00 0.00 174.62 173.79 3kqu s VAL 436 N -2.08 2.61 -0.15 3.82 0.11 -1.26 -0.99 120.40 122.46 3kqu s VAL 436 Ca -0.02 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 3kqu s VAL 436 Cb -0.05 -2.02 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 3kqu s VAL 436 CO -0.01 0.56 -0.17 -0.62 -3.33 0.00 0.00 175.10 171.53 3kqu s ASP 437 N -0.06 2.83 -1.32 3.54 2.15 0.17 -4.94 116.67 119.03 3kqu s ASP 437 Ca -0.05 -0.54 -0.11 0.00 0.43 0.00 0.00 52.55 52.29 3kqu s ASP 437 Cb -0.14 -1.29 0.14 0.00 -0.30 0.00 0.00 42.92 41.33 3kqu s ASP 437 CO 0.04 0.00 1.94 0.49 -0.17 0.00 0.00 175.17 177.47 3kqu n PHE 438 N 4.47 3.20 1.99 -5.34 3.72 -1.26 0.93 117.46 125.17 3kqu n PHE 438 Ca -0.19 -2.86 0.14 0.00 -0.05 0.00 0.00 57.45 54.49 3kqu n PHE 438 Cb 0.51 -2.12 0.84 0.00 -0.94 0.00 0.00 39.48 37.77 3kqu n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kqu n SER 439 N 4.55 0.01 -4.17 4.37 3.41 -1.21 -4.94 113.62 115.65 3kqu n SER 439 Ca 0.43 -1.12 -0.32 0.00 -0.26 0.00 0.00 58.87 57.60 3kqu n SER 439 Cb 0.37 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3kqu n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqu n LEU 440 N -0.93 -0.73 -3.10 1.04 4.77 0.78 -4.88 117.00 113.94 3kqu n LEU 440 Ca 0.21 -1.20 -0.16 0.00 -0.03 0.00 0.00 56.01 54.83 3kqu n LEU 440 Cb 0.10 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 39.70 3kqu n LEU 440 CO 0.16 0.50 -0.20 -0.90 -1.33 0.00 0.00 177.39 175.63 3kqu n ASP 441 N -2.52 0.83 0.05 -1.43 5.75 -1.26 -4.54 116.55 113.43 3kqu n ASP 441 Ca -0.27 -2.98 -0.02 0.00 -0.01 0.00 0.00 54.79 51.51 3kqu n ASP 441 Cb 0.62 -0.54 -0.08 0.00 -1.03 0.00 0.00 41.12 40.10 3kqu n ASP 441 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3kqu h PRO 442 N 3.00 0.00 0.00 0.11 0.13 -1.89 -3.48 132.00 129.87 3kqu h PRO 442 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3kqu h PRO 442 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3kqu h PRO 442 CO 0.49 0.50 0.00 0.25 -0.23 0.00 0.00 178.00 179.01 3kqu n THR 443 N -3.07 0.00 -4.61 1.56 -2.24 -1.26 -4.83 114.28 99.82 3kqu n THR 443 Ca -0.07 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 3kqu n THR 443 Cb 0.88 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 3kqu n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kqu s PHE 444 N 1.21 2.16 -0.04 4.78 -0.12 -1.26 -0.16 117.98 124.56 3kqu s PHE 444 Ca 0.00 -0.87 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 3kqu s PHE 444 Cb 0.00 -1.57 0.02 0.00 -0.63 0.00 0.00 43.02 40.84 3kqu s PHE 444 CO 0.00 0.23 -0.03 0.99 -0.05 0.00 0.00 175.22 176.35 3kqu s THR 445 N -2.92 0.43 -0.29 -4.49 2.01 0.26 -1.62 115.64 109.02 3kqu s THR 445 Ca 0.27 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 3kqu s THR 445 Cb 0.07 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 72.12 3kqu s THR 445 CO 0.13 0.19 0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 3kqu s ILE 446 N 0.85 3.83 -0.09 1.82 1.01 0.04 0.41 121.20 129.06 3kqu s ILE 446 Ca -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3kqu s ILE 446 Cb -0.13 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3kqu s ILE 446 CO -0.00 0.09 -0.14 -1.83 0.00 0.00 0.00 174.94 173.06 3kqu s GLU 447 N 1.48 2.95 -0.15 2.79 -1.05 -0.16 -4.50 118.70 120.06 3kqu s GLU 447 Ca 0.02 -0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 54.02 3kqu s GLU 447 Cb -0.17 -2.50 -0.05 0.00 -0.44 0.00 0.00 34.13 30.97 3kqu s GLU 447 CO 0.02 0.41 0.27 0.99 0.95 0.00 0.00 175.26 177.90 3kqu s THR 448 N -0.18 5.32 0.07 1.83 2.01 -1.26 -0.63 115.64 122.79 3kqu s THR 448 Ca -0.00 0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.51 3kqu s THR 448 Cb -0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3kqu s THR 448 CO 0.03 0.43 -0.08 0.42 -0.69 0.00 0.00 174.62 174.73 3kqu s THR 449 N 0.24 0.64 -0.27 -0.82 -4.23 -0.11 -5.00 115.64 106.08 3kqu s THR 449 Ca 0.16 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 59.14 3kqu s THR 449 Cb -0.13 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 3kqu s THR 449 CO 0.04 -0.56 0.16 -0.89 -0.54 0.00 0.00 174.62 172.83 3kqu s THR 450 N -2.24 5.08 0.33 3.99 2.01 -1.26 -0.75 115.64 122.80 3kqu s THR 450 Ca -0.01 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3kqu s THR 450 Cb -0.04 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3kqu s THR 450 CO -0.01 0.26 0.16 0.68 -0.69 0.00 0.00 174.62 175.02 3kqu s VAL 451 N 1.73 0.40 0.30 3.82 -7.23 -0.01 -4.95 120.40 114.45 3kqu s VAL 451 Ca 0.07 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 3kqu s VAL 451 Cb -0.16 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.19 3kqu s VAL 451 CO 0.09 0.00 1.26 -2.84 -0.31 0.00 0.00 175.10 173.30 3kqu s PRO 452 N -3.76 4.43 0.64 4.82 0.02 -1.26 -0.56 135.00 139.33 3kqu s PRO 452 Ca 0.34 2.10 -0.17 0.00 0.02 0.00 0.00 61.00 63.28 3kqu s PRO 452 Cb 0.04 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.44 3kqu s PRO 452 CO 0.18 -0.10 1.18 1.14 -0.33 0.00 0.00 177.00 179.06 3kqu s GLN 453 N -1.45 2.72 0.68 5.54 -2.07 -0.02 -4.75 119.66 120.32 3kqu s GLN 453 Ca 0.49 1.70 -0.01 0.00 -1.82 0.00 0.00 55.36 55.72 3kqu s GLN 453 Cb -0.37 -1.91 0.10 0.00 -1.09 0.00 0.00 33.01 29.74 3kqu s GLN 453 CO 0.48 -1.37 0.94 0.16 -1.32 0.00 0.00 175.29 174.18 3kqu s ASP 454 N -1.95 4.59 0.16 12.60 -4.77 -1.26 -3.28 116.67 122.76 3kqu s ASP 454 Ca 0.74 -0.23 -0.16 0.00 -3.30 0.00 0.00 52.55 49.60 3kqu s ASP 454 Cb -0.27 -0.28 0.08 0.00 -1.09 0.00 0.00 42.92 41.35 3kqu s ASP 454 CO 0.38 -1.68 1.71 0.00 0.70 0.00 0.00 175.17 176.28 3kqu h ALA 455 N -0.40 0.35 -0.25 2.11 0.00 -1.26 -1.57 119.26 118.25 3kqu h ALA 455 Ca -0.38 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3kqu h ALA 455 Cb 1.28 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3kqu h ALA 455 CO 0.44 -0.37 -0.23 0.28 0.00 0.00 0.00 179.25 179.37 3kqu h VAL 456 N 0.14 0.41 -0.64 0.00 2.07 -1.87 -0.83 116.25 115.53 3kqu h VAL 456 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 3kqu h VAL 456 Cb 0.23 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3kqu h VAL 456 CO -0.26 0.00 0.36 -1.28 0.02 0.00 0.00 177.57 176.40 3kqu h SER 457 N -0.23 0.54 -0.38 0.57 0.87 -1.82 -0.32 113.55 112.78 3kqu h SER 457 Ca 0.14 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3kqu h SER 457 Cb 0.45 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3kqu h SER 457 CO -0.39 0.36 0.15 -0.09 -0.53 0.00 0.00 176.83 176.33 3kqu h ARG 458 N 0.67 0.57 -0.53 2.24 2.43 -0.55 0.83 114.38 120.05 3kqu h ARG 458 Ca 0.28 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 3kqu h ARG 458 Cb 0.15 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kqu h ARG 458 CO -0.16 0.55 -0.12 0.77 -1.51 0.00 0.00 179.97 179.50 3kqu h SER 459 N 0.47 1.02 -0.10 -3.80 0.02 -0.95 -0.76 113.55 109.46 3kqu h SER 459 Ca 0.13 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3kqu h SER 459 Cb 0.20 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3kqu h SER 459 CO -0.01 1.14 -0.05 1.56 -1.14 0.00 0.00 176.83 178.33 3kqu h GLN 460 N 0.88 0.21 -0.65 3.45 1.08 -0.90 0.11 115.11 119.30 3kqu h GLN 460 Ca 0.13 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3kqu h GLN 460 Cb 0.69 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 3kqu h GLN 460 CO 0.05 0.57 0.35 0.00 -0.95 0.00 0.00 178.83 178.85 3kqu h ARG 461 N -0.15 0.91 -0.73 1.46 3.08 -0.84 -1.55 114.38 116.56 3kqu h ARG 461 Ca 0.02 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3kqu h ARG 461 Cb 0.50 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 3kqu h ARG 461 CO 0.01 0.69 0.43 -0.09 -1.07 0.00 0.00 179.97 179.95 3kqu h ARG 462 N 0.89 1.00 0.00 0.04 2.43 -1.10 -2.38 114.38 115.25 3kqu h ARG 462 Ca 0.23 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3kqu h ARG 462 Cb 0.06 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3kqu h ARG 462 CO -0.04 0.72 0.00 0.41 -1.51 0.00 0.00 179.97 179.55 3kqu n GLY 463 N -1.16 -0.03 0.15 2.80 0.00 0.38 -2.14 105.19 105.18 3kqu n GLY 463 Ca 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3kqu n GLY 463 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kqu h ARG 464 N 0.00 0.00 -5.75 1.61 2.47 -1.36 -3.44 114.38 107.91 3kqu h ARG 464 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 3kqu h ARG 464 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 3kqu h ARG 464 CO 0.00 0.00 -0.43 -0.08 0.56 0.00 0.00 179.97 180.02 3kqu s THR 465 N -3.17 1.79 -1.23 2.04 -1.32 -0.91 -4.41 115.64 108.43 3kqu s THR 465 Ca 0.09 -1.69 -0.06 0.00 -1.21 0.00 0.00 61.69 58.83 3kqu s THR 465 Cb 0.10 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 3kqu s THR 465 CO 0.60 0.00 0.74 0.61 -2.21 0.00 0.00 174.62 174.36 3kqu n GLY 466 N -1.45 -0.32 3.21 6.08 0.00 -1.25 -4.94 105.19 106.52 3kqu n GLY 466 Ca -0.06 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3kqu n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqu s ARG 467 N -5.79 2.95 0.00 1.61 0.52 -1.26 -4.40 118.95 112.58 3kqu s ARG 467 Ca 0.37 -2.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 3kqu s ARG 467 Cb -0.16 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.27 3kqu s ARG 467 CO 0.45 -1.23 0.00 0.41 0.02 0.00 0.00 175.30 174.96 3kqu n GLY 468 N 3.97 0.66 3.64 -3.53 0.00 -1.26 -4.98 105.19 103.69 3kqu n GLY 468 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 3kqu n GLY 468 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kqu s ARG 469 N -0.58 0.05 0.57 1.61 1.70 -1.26 -5.15 118.95 115.88 3kqu s ARG 469 Ca 0.00 -0.02 -0.20 0.00 -0.47 0.00 0.00 55.73 55.04 3kqu s ARG 469 Cb 0.00 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 3kqu s ARG 469 CO 0.00 -0.02 1.27 0.00 -1.08 0.00 0.00 175.30 175.47 3kqu s MET 470 N -2.06 3.03 0.22 3.89 0.23 -1.26 -3.90 119.30 119.44 3kqu s MET 470 Ca 0.12 2.00 -0.11 0.00 -1.03 0.00 0.00 55.69 56.67 3kqu s MET 470 Cb -0.01 -2.07 -0.01 0.00 -1.53 0.00 0.00 34.83 31.22 3kqu s MET 470 CO -0.03 -1.21 0.40 0.20 -2.03 0.00 0.00 175.02 172.35 3kqu s GLY 471 N -1.32 0.59 0.03 3.16 0.00 0.29 -4.60 107.32 105.47 3kqu s GLY 471 Ca 0.75 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 44.60 3kqu s GLY 471 CO 0.39 -0.74 -0.17 -0.42 0.00 0.00 0.00 173.10 172.16 3kqu s ILE 472 N -4.01 2.86 -0.17 0.90 1.01 -0.79 -0.86 121.20 120.14 3kqu s ILE 472 Ca 0.22 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 3kqu s ILE 472 Cb 0.01 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 40.32 3kqu s ILE 472 CO 0.06 0.37 -0.07 -0.47 0.00 0.00 0.00 174.94 174.83 3kqu s TYR 473 N -0.91 1.82 -0.09 3.97 5.04 0.80 -1.01 117.35 126.97 3kqu s TYR 473 Ca 0.15 -1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 53.62 3kqu s TYR 473 Cb -0.11 -1.37 -0.03 0.00 0.35 0.00 0.00 41.96 40.80 3kqu s TYR 473 CO 0.05 -0.63 -0.04 1.03 -1.34 0.00 0.00 175.55 174.62 3kqu s ARG 474 N 1.59 3.02 0.18 4.97 0.52 0.13 -0.23 118.95 129.14 3kqu s ARG 474 Ca 0.01 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 3kqu s ARG 474 Cb -0.15 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 3kqu s ARG 474 CO -0.08 0.58 -0.02 -0.59 0.02 0.00 0.00 175.30 175.22 3kqu s PHE 475 N -0.58 1.28 -0.20 -0.53 -0.71 -1.20 -0.72 117.98 115.31 3kqu s PHE 475 Ca 0.09 -0.96 -0.18 0.00 -1.04 0.00 0.00 56.93 54.84 3kqu s PHE 475 Cb -0.12 -0.72 -0.14 0.00 -1.21 0.00 0.00 43.02 40.83 3kqu s PHE 475 CO 0.02 -0.13 0.01 0.28 -1.34 0.00 0.00 175.22 174.06 3kqu n VAL 476 N -0.27 1.51 -5.20 -2.49 0.31 -1.12 -1.33 118.33 109.75 3kqu n VAL 476 Ca -0.07 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 63.92 3kqu n VAL 476 Cb 0.63 -2.11 -0.15 0.00 -0.91 0.00 0.00 33.84 31.30 3kqu n VAL 476 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kqu s THR 477 N -2.39 2.31 0.93 2.52 2.01 -1.26 -4.82 115.64 114.95 3kqu s THR 477 Ca -0.27 -1.01 -0.13 0.00 0.31 0.00 0.00 61.69 60.59 3kqu s THR 477 Cb 0.06 -1.83 0.21 0.00 0.01 0.00 0.00 72.50 70.95 3kqu s THR 477 CO 0.49 0.58 1.27 -0.81 -0.69 0.00 0.00 174.62 175.46 3kqu n PRO 478 N 2.47 -1.01 -0.42 4.92 -0.04 -1.26 -4.93 135.00 134.72 3kqu n PRO 478 Ca -0.16 -2.28 0.06 0.00 -0.04 0.00 0.00 63.50 61.08 3kqu n PRO 478 Cb 0.51 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 3kqu n PRO 478 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqu n GLY 479 N -3.59 -0.90 3.65 0.55 0.00 -1.26 -5.04 105.19 98.60 3kqu n GLY 479 Ca 0.17 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.51 3kqu n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kqu s GLU 480 N -0.78 0.21 0.24 1.61 4.04 -1.26 -4.99 118.70 117.77 3kqu s GLU 480 Ca 0.00 -0.12 -0.09 0.00 0.04 0.00 0.00 54.97 54.80 3kqu s GLU 480 Cb 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 34.13 34.15 3kqu s GLU 480 CO 0.00 -0.09 0.56 -0.98 -1.84 0.00 0.00 175.26 172.91 3kqu s ARG 481 N -2.18 3.79 0.80 -4.83 1.70 -1.20 -4.81 118.95 112.21 3kqu s ARG 481 Ca 0.17 0.26 -0.12 0.00 -0.47 0.00 0.00 55.73 55.57 3kqu s ARG 481 Cb 0.05 -2.63 0.08 0.00 -0.57 0.00 0.00 34.95 31.88 3kqu s ARG 481 CO -0.05 0.29 1.14 -2.14 -1.08 0.00 0.00 175.30 173.46 3kqu s PRO 482 N -2.94 1.84 0.00 3.89 0.02 -1.26 -0.81 135.00 135.75 3kqu s PRO 482 Ca 0.47 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.97 3kqu s PRO 482 Cb -0.11 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3kqu s PRO 482 CO 0.22 -2.00 0.00 -1.13 -0.33 0.00 0.00 177.00 173.76 3kqu n SER 483 N -3.46 1.52 0.00 2.53 3.41 -1.26 -4.71 113.62 111.65 3kqu n SER 483 Ca 0.11 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3kqu n SER 483 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kqu n SER 483 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqu n GLY 484 N 5.00 3.33 3.01 5.00 0.00 -0.93 -4.72 105.19 115.88 3kqu n GLY 484 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3kqu n GLY 484 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kqu s MET 485 N -0.83 0.64 0.16 1.61 0.00 -1.26 -0.84 119.30 118.77 3kqu s MET 485 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 55.69 55.48 3kqu s MET 485 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 34.83 34.17 3kqu s MET 485 CO 0.00 0.17 -0.20 -0.59 0.00 0.00 0.00 175.02 174.40 3kqu s PHE 486 N -0.22 1.90 0.51 4.11 -0.12 -0.82 -4.97 117.98 118.38 3kqu s PHE 486 Ca 0.03 -0.44 -0.21 0.00 -0.05 0.00 0.00 56.93 56.25 3kqu s PHE 486 Cb -0.03 -0.96 -0.06 0.00 -0.63 0.00 0.00 43.02 41.33 3kqu s PHE 486 CO -0.00 0.34 1.17 0.34 -0.05 0.00 0.00 175.22 177.02 3kqu s ASP 487 N -2.53 5.85 0.65 1.98 2.15 -1.26 -4.53 116.67 118.98 3kqu s ASP 487 Ca 0.15 2.31 0.30 0.00 0.43 0.00 0.00 52.55 55.74 3kqu s ASP 487 Cb -0.07 -2.60 1.65 0.00 -0.30 0.00 0.00 42.92 41.60 3kqu s ASP 487 CO 0.07 -1.14 1.92 -1.28 -0.17 0.00 0.00 175.17 174.58 3kqu h SER 488 N 1.61 0.00 0.38 -0.34 0.87 -1.93 0.10 113.55 114.25 3kqu h SER 488 Ca -0.50 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 3kqu h SER 488 Cb 1.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3kqu h SER 488 CO 0.58 0.00 -0.17 0.77 -0.53 0.00 0.00 176.83 177.48 3kqu h SER 489 N 0.00 0.00 -0.47 6.23 4.64 -1.90 -2.04 113.55 120.02 3kqu h SER 489 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kqu h SER 489 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3kqu h SER 489 CO 0.00 0.17 0.03 0.58 -0.87 0.00 0.00 176.83 176.74 3kqu h VAL 490 N 0.00 1.26 -0.38 0.95 2.07 -1.12 -0.12 116.25 118.91 3kqu h VAL 490 Ca -0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3kqu h VAL 490 Cb 0.41 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3kqu h VAL 490 CO 0.02 0.35 0.24 -0.07 0.02 0.00 0.00 177.57 178.13 3kqu h LEU 491 N 0.67 0.45 -0.73 2.57 3.38 -1.52 -0.64 115.31 119.48 3kqu h LEU 491 Ca 0.14 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3kqu h LEU 491 Cb 0.46 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3kqu h LEU 491 CO 0.02 0.35 0.36 0.00 0.09 0.00 0.00 178.44 179.26 3kqu h GLU 493 N 0.58 0.89 -0.38 0.00 4.81 0.07 -2.07 114.58 118.48 3kqu h GLU 493 Ca 0.37 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3kqu h GLU 493 Cb 0.43 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3kqu h GLU 493 CO -0.30 0.63 0.13 0.00 -0.73 0.00 0.00 179.01 178.74 3kqu h TYR 495 N 0.47 0.49 -0.80 0.00 0.05 -1.23 0.16 116.97 116.12 3kqu h TYR 495 Ca 0.13 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.93 3kqu h TYR 495 Cb 0.23 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 37.77 3kqu h TYR 495 CO 0.01 0.42 0.49 0.22 -1.05 0.00 0.00 178.16 178.25 3kqu h ASP 496 N 0.42 0.78 -0.40 3.88 1.82 -1.20 -0.07 116.42 121.64 3kqu h ASP 496 Ca 0.12 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.63 3kqu h ASP 496 Cb 0.11 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 3kqu h ASP 496 CO -0.02 0.52 -0.30 0.00 -1.61 0.00 0.00 179.24 177.83 3kqu h ALA 497 N 1.37 0.58 -0.73 -0.78 0.00 -0.59 0.59 119.26 119.70 3kqu h ALA 497 Ca 0.34 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kqu h ALA 497 Cb 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3kqu h ALA 497 CO -0.15 0.62 0.45 0.78 0.00 0.00 0.00 179.25 180.95 3kqu h GLY 498 N 0.73 1.05 1.47 0.00 0.00 -0.01 0.40 103.07 106.73 3kqu h GLY 498 Ca 0.08 -0.34 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 3kqu h GLY 498 CO 0.08 0.28 -0.98 0.00 0.00 0.00 0.00 176.54 175.92 3kqu h ALA 500 N 0.66 0.59 0.00 0.00 0.00 -0.62 -3.42 119.26 116.46 3kqu h ALA 500 Ca -0.09 -1.34 -0.06 0.00 0.00 0.00 0.00 54.91 53.42 3kqu h ALA 500 Cb 1.62 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 3kqu h ALA 500 CO 0.17 1.43 -1.24 0.91 0.00 0.00 0.00 179.25 180.52 3kqu n TRP 501 N -3.22 0.00 -0.91 0.00 7.02 0.14 -4.84 117.44 115.63 3kqu n TRP 501 Ca -0.18 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.38 3kqu n TRP 501 Cb 1.04 -0.17 0.31 0.00 -2.42 0.00 0.00 31.31 30.07 3kqu n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kqu n TYR 502 N -2.39 1.32 -4.26 -5.99 4.01 -1.05 -4.91 117.16 103.89 3kqu n TYR 502 Ca -0.07 -0.80 -0.32 0.00 -0.16 0.00 0.00 57.90 56.55 3kqu n TYR 502 Cb 0.60 -0.36 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 3kqu n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kqu n GLU 503 N -0.01 -1.73 -4.61 -0.72 1.02 -1.03 -4.95 120.64 108.62 3kqu n GLU 503 Ca 0.23 0.21 -0.33 0.00 -0.02 0.00 0.00 57.16 57.24 3kqu n GLU 503 Cb 0.97 -4.16 -0.13 0.00 -0.02 0.00 0.00 31.44 28.10 3kqu n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kqu s LEU 504 N -7.25 3.03 0.49 -4.62 1.43 -0.20 -5.03 118.68 106.53 3kqu s LEU 504 Ca 0.22 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 3kqu s LEU 504 Cb -0.12 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 3kqu s LEU 504 CO 0.97 0.23 0.98 0.42 0.23 0.00 0.00 176.35 179.19 3kqu s THR 505 N -0.04 4.34 0.27 5.49 -4.23 -1.26 -3.68 115.64 116.52 3kqu s THR 505 Ca -0.01 1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.77 3kqu s THR 505 Cb -0.14 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.37 3kqu s THR 505 CO 0.03 -0.49 1.67 -0.65 -0.54 0.00 0.00 174.62 174.64 3kqu h PRO 506 N 1.31 0.25 -0.66 3.99 0.11 -1.92 0.21 132.00 135.28 3kqu h PRO 506 Ca -0.48 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3kqu h PRO 506 Cb 1.19 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3kqu h PRO 506 CO 0.61 0.16 0.40 0.00 -0.21 0.00 0.00 178.00 178.96 3kqu h ALA 507 N 1.71 0.88 -0.63 -0.75 0.00 -1.91 -0.16 119.26 118.38 3kqu h ALA 507 Ca 0.50 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 3kqu h ALA 507 Cb 0.94 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kqu h ALA 507 CO -0.59 0.13 0.09 1.49 0.00 0.00 0.00 179.25 180.37 3kqu h GLU 508 N 0.77 1.06 -0.80 0.00 4.81 -1.07 -2.52 114.58 116.83 3kqu h GLU 508 Ca 0.28 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3kqu h GLU 508 Cb 0.08 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3kqu h GLU 508 CO -0.13 0.99 0.40 1.15 -0.73 0.00 0.00 179.01 180.69 3kqu h THR 509 N 0.97 1.24 -0.72 0.32 2.02 -0.14 -2.71 112.91 113.90 3kqu h THR 509 Ca 0.19 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kqu h THR 509 Cb 0.46 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3kqu h THR 509 CO 0.02 0.28 0.43 0.28 0.37 0.00 0.00 175.52 176.90 3kqu h SER 510 N 1.13 0.86 -0.44 4.18 0.02 -0.66 -0.82 113.55 117.83 3kqu h SER 510 Ca 0.28 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3kqu h SER 510 Cb 0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3kqu h SER 510 CO -0.04 0.67 0.26 0.58 -1.14 0.00 0.00 176.83 177.16 3kqu h VAL 511 N 0.98 1.14 0.16 2.27 2.07 -1.15 -0.09 116.25 121.62 3kqu h VAL 511 Ca 0.26 -0.32 -0.28 0.00 0.82 0.00 0.00 66.70 67.18 3kqu h VAL 511 Cb -0.03 0.51 0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3kqu h VAL 511 CO -0.05 0.14 -1.18 0.03 0.02 0.00 0.00 177.57 176.54 3kqu h ARG 512 N 0.63 0.52 -0.11 1.57 3.08 -1.19 -3.02 114.38 115.85 3kqu h ARG 512 Ca 0.16 -0.77 -0.09 0.00 0.07 0.00 0.00 59.98 59.36 3kqu h ARG 512 Cb -0.01 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kqu h ARG 512 CO -0.03 1.35 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.83 3kqu h LEU 513 N 0.08 0.21 -0.50 3.04 3.38 -0.97 -2.68 115.31 117.88 3kqu h LEU 513 Ca -0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3kqu h LEU 513 Cb 1.89 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 3kqu h LEU 513 CO 0.22 0.53 0.18 -0.09 0.09 0.00 0.00 178.44 179.38 3kqu h ARG 514 N 0.19 0.75 -0.84 1.13 9.65 -1.07 0.96 114.38 125.14 3kqu h ARG 514 Ca 0.02 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3kqu h ARG 514 Cb 0.67 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 3kqu h ARG 514 CO 0.05 0.68 0.50 0.00 2.80 0.00 0.00 179.97 184.00 3kqu h ALA 515 N 1.03 1.29 0.62 2.80 0.00 -1.36 -0.99 119.26 122.65 3kqu h ALA 515 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kqu h ALA 515 Cb 0.22 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kqu h ALA 515 CO -0.01 0.60 -0.30 -0.92 0.00 0.00 0.00 179.25 178.63 3kqu h TYR 516 N 1.17 -0.77 -0.03 0.00 5.03 -1.07 -2.93 116.97 118.37 3kqu h TYR 516 Ca 0.30 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.60 3kqu h TYR 516 Cb -0.03 0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 3kqu h TYR 516 CO 0.01 -0.43 0.04 -0.07 -1.32 0.00 0.00 178.16 176.39 3kqu h LEU 517 N -1.09 0.00 -0.84 2.82 4.07 -0.71 -1.62 115.31 117.94 3kqu h LEU 517 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3kqu h LEU 517 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 3kqu h LEU 517 CO 0.14 0.00 -0.10 0.59 -1.08 0.00 0.00 178.44 177.99 3kqu n ASN 518 N -3.65 1.41 -4.61 -0.43 5.03 -0.39 -4.84 115.26 107.78 3kqu n ASN 518 Ca -0.02 -1.30 -0.38 0.00 0.87 0.00 0.00 54.58 53.75 3kqu n ASN 518 Cb 0.13 0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 38.85 3kqu n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kqu s THR 519 N -2.19 5.28 0.50 3.41 2.01 -0.61 -5.07 115.64 118.96 3kqu s THR 519 Ca 0.32 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.39 3kqu s THR 519 Cb 0.20 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 3kqu s THR 519 CO 0.41 0.24 1.26 -2.84 -0.69 0.00 0.00 174.62 173.00 3kqu s PRO 520 N 1.72 3.49 0.00 4.92 0.02 -1.26 -3.77 135.00 140.12 3kqu s PRO 520 Ca 0.10 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.13 3kqu s PRO 520 Cb -0.16 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.01 3kqu s PRO 520 CO 0.10 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 3kqu n GLY 521 N 0.59 0.61 3.83 0.52 0.00 -1.26 -5.08 105.19 104.40 3kqu n GLY 521 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3kqu n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqu s LEU 522 N 0.00 3.18 0.32 0.99 1.43 -1.25 -4.54 118.68 118.81 3kqu s LEU 522 Ca 0.00 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 51.86 3kqu s LEU 522 Cb 0.00 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.44 3kqu s LEU 522 CO 0.00 -0.68 1.38 -2.84 0.23 0.00 0.00 176.35 174.43 3kqu s PRO 523 N -4.07 4.28 0.35 1.29 0.02 -1.26 -4.86 135.00 130.75 3kqu s PRO 523 Ca 0.43 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.80 3kqu s PRO 523 Cb -0.00 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.44 3kqu s PRO 523 CO 0.25 -0.32 0.51 0.14 -0.33 0.00 0.00 177.00 177.25 3kqu s VAL 524 N -0.83 4.42 -0.04 3.83 -7.23 -0.02 -4.93 120.40 115.59 3kqu s VAL 524 Ca 0.52 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.59 3kqu s VAL 524 Cb -0.42 -3.57 0.08 0.00 0.56 0.00 0.00 36.38 33.04 3kqu s VAL 524 CO 0.52 -0.28 0.75 0.00 -0.31 0.00 0.00 175.10 175.78 3kqu n GLN 526 N 0.59 1.72 -2.47 0.00 3.00 -1.26 -4.85 117.38 114.10 3kqu n GLN 526 Ca -0.16 0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 57.06 3kqu n GLN 526 Cb 0.59 -2.22 -0.03 0.00 0.00 0.00 0.00 30.24 28.58 3kqu n GLN 526 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3kqu s ASP 527 N 0.21 6.30 -0.17 1.08 3.68 -1.26 -4.69 116.67 121.81 3kqu s ASP 527 Ca 0.70 -1.45 0.17 0.00 2.13 0.00 0.00 52.55 54.10 3kqu s ASP 527 Cb -0.72 -2.57 0.47 0.00 -1.45 0.00 0.00 42.92 38.64 3kqu s ASP 527 CO 0.50 -1.70 1.35 1.41 0.13 0.00 0.00 175.17 176.87 3kqu n HIS 528 N 9.74 0.70 0.09 -5.34 8.25 -1.26 -4.77 115.22 122.62 3kqu n HIS 528 Ca 0.36 -0.93 -0.13 0.00 -0.26 0.00 0.00 57.72 56.76 3kqu n HIS 528 Cb 0.50 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 3kqu n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kqu h LEU 529 N 1.30 -1.11 -0.46 2.41 3.38 -1.99 -0.70 115.31 118.15 3kqu h LEU 529 Ca 0.01 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3kqu h LEU 529 Cb 1.33 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 42.41 3kqu h LEU 529 CO 0.17 -0.44 -0.24 -0.33 0.09 0.00 0.00 178.44 177.69 3kqu h GLU 530 N -0.56 -0.14 0.52 1.13 4.39 -1.99 0.33 114.58 118.26 3kqu h GLU 530 Ca 0.04 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3kqu h GLU 530 Cb 0.62 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3kqu h GLU 530 CO -0.26 -0.09 -0.45 0.35 -1.16 0.00 0.00 179.01 177.40 3kqu h PHE 531 N -0.14 -1.23 -0.95 4.33 3.57 -1.80 -0.21 116.94 120.50 3kqu h PHE 531 Ca 0.21 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.79 3kqu h PHE 531 Cb 0.48 0.47 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 3kqu h PHE 531 CO -0.50 -0.61 0.62 -1.49 -2.23 0.00 0.00 178.31 174.10 3kqu h TRP 532 N -0.95 1.11 -0.37 0.41 4.06 -0.72 -1.12 115.95 118.38 3kqu h TRP 532 Ca -0.07 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.91 3kqu h TRP 532 Cb 0.80 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 3kqu h TRP 532 CO -0.19 0.56 0.24 1.49 -3.56 0.00 0.00 178.44 176.98 3kqu h GLU 533 N 1.08 0.49 -0.11 0.49 4.81 -0.15 -1.39 114.58 119.80 3kqu h GLU 533 Ca 0.42 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 3kqu h GLU 533 Cb 0.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3kqu h GLU 533 CO -0.17 0.34 -0.19 0.66 -0.73 0.00 0.00 179.01 178.92 3kqu h SER 534 N 0.49 0.17 0.67 1.04 4.64 -0.19 -0.77 113.55 119.61 3kqu h SER 534 Ca 0.13 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3kqu h SER 534 Cb -0.03 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3kqu h SER 534 CO -0.03 0.38 -0.32 0.58 -0.87 0.00 0.00 176.83 176.57 3kqu h VAL 535 N 0.17 0.18 0.00 0.95 2.07 -0.58 -3.17 116.25 115.86 3kqu h VAL 535 Ca 0.03 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3kqu h VAL 535 Cb 0.44 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kqu h VAL 535 CO 0.03 0.02 -0.20 -0.26 0.02 0.00 0.00 177.57 177.18 3kqu h PHE 536 N -1.13 0.00 -0.06 1.57 -1.00 -1.18 -1.96 116.94 113.18 3kqu h PHE 536 Ca -0.09 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.71 3kqu h PHE 536 Cb 0.73 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 3kqu h PHE 536 CO -0.00 0.20 0.06 1.15 -1.61 0.00 0.00 178.31 178.11 3kqu h THR 537 N 0.00 0.64 0.00 -1.55 2.02 -1.12 -1.32 112.91 111.58 3kqu h THR 537 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3kqu h THR 537 Cb 0.37 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3kqu h THR 537 CO 0.03 0.00 -0.68 1.23 0.37 0.00 0.00 175.52 176.47 3kqu h GLY 538 N 0.00 0.00 -7.61 2.16 0.00 -1.33 -3.41 103.07 92.88 3kqu h GLY 538 Ca 0.03 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.77 3kqu h GLY 538 CO -0.00 0.00 1.81 1.08 0.00 0.00 0.00 176.54 179.43 3kqu s LEU 539 N -6.49 3.61 0.28 3.11 1.43 -0.50 -4.95 118.68 115.17 3kqu s LEU 539 Ca 0.03 -2.03 0.10 0.00 -1.03 0.00 0.00 54.13 51.19 3kqu s LEU 539 Cb 0.08 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3kqu s LEU 539 CO 0.77 -1.61 -0.01 0.42 0.23 0.00 0.00 176.35 176.15 3kqu s THR 540 N 5.72 3.23 -1.22 5.49 -4.23 -1.26 -4.72 115.64 118.65 3kqu s THR 540 Ca 0.55 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3kqu s THR 540 Cb 0.02 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3kqu s THR 540 CO 0.05 -0.34 1.02 1.41 -0.54 0.00 0.00 174.62 176.22 3kqu n HIS 541 N -0.90 -2.29 -2.08 3.99 8.25 -1.26 -4.97 115.22 115.96 3kqu n HIS 541 Ca -0.06 0.94 -0.33 0.00 -0.26 0.00 0.00 57.72 58.02 3kqu n HIS 541 Cb 0.60 -5.05 0.01 0.00 1.12 0.00 0.00 29.99 26.67 3kqu n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kqu s ILE 542 N -3.35 3.62 -0.29 1.59 2.07 -1.26 -4.96 121.20 118.62 3kqu s ILE 542 Ca 0.10 0.82 -0.29 0.00 -1.41 0.00 0.00 60.65 59.87 3kqu s ILE 542 Cb -0.05 -3.32 0.00 0.00 0.13 0.00 0.00 42.46 39.22 3kqu s ILE 542 CO 0.72 -0.40 1.27 -0.62 -1.91 0.00 0.00 174.94 174.01 3kqu s ASP 543 N -2.52 6.73 0.31 4.50 3.68 -1.26 -4.90 116.67 123.20 3kqu s ASP 543 Ca 0.66 1.23 0.02 0.00 2.13 0.00 0.00 52.55 56.59 3kqu s ASP 543 Cb -0.18 -2.54 0.58 0.00 -1.45 0.00 0.00 42.92 39.33 3kqu s ASP 543 CO 0.34 -1.03 1.89 0.00 0.13 0.00 0.00 175.17 176.50 3kqu h ALA 544 N 9.06 1.56 -0.65 3.66 0.00 -1.99 -0.70 119.26 130.21 3kqu h ALA 544 Ca -0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3kqu h ALA 544 Cb 1.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3kqu h ALA 544 CO 1.03 0.26 0.28 1.25 0.00 0.00 0.00 179.25 182.06 3kqu h HIS 545 N 0.97 0.94 -0.07 0.00 6.17 -1.99 0.13 115.15 121.30 3kqu h HIS 545 Ca 0.42 -0.05 -0.14 0.00 0.71 0.00 0.00 60.37 61.31 3kqu h HIS 545 Cb 0.35 -0.29 0.01 0.00 2.52 0.00 0.00 27.41 29.99 3kqu h HIS 545 CO -0.00 0.71 -0.52 0.74 0.71 0.00 0.00 177.93 179.57 3kqu h PHE 546 N 0.93 0.66 0.03 5.26 0.05 -1.66 -2.58 116.94 119.62 3kqu h PHE 546 Ca 0.22 -0.31 0.01 0.00 3.82 0.00 0.00 57.97 61.71 3kqu h PHE 546 Cb 0.15 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 3kqu h PHE 546 CO 0.01 1.09 -0.06 1.25 -0.18 0.00 0.00 178.31 180.43 3kqu h LEU 547 N 0.05 -0.16 -0.78 1.54 6.46 -0.95 -1.42 115.31 120.04 3kqu h LEU 547 Ca -0.04 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 57.86 3kqu h LEU 547 Cb 1.18 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 3kqu h LEU 547 CO 0.11 -0.09 0.39 -1.28 -0.62 0.00 0.00 178.44 176.95 3kqu h SER 548 N -0.12 0.49 -0.59 1.25 0.87 -1.03 -1.48 113.55 112.95 3kqu h SER 548 Ca 0.02 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3kqu h SER 548 Cb 0.13 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3kqu h SER 548 CO -0.04 0.24 0.02 1.56 -0.53 0.00 0.00 176.83 178.08 3kqu h GLN 549 N 0.62 1.05 0.00 2.24 4.20 -0.93 -2.33 115.11 119.96 3kqu h GLN 549 Ca 0.41 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3kqu h GLN 549 Cb 0.51 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3kqu h GLN 549 CO -0.32 1.01 -0.40 1.79 -0.67 0.00 0.00 178.83 180.24 3kqu h THR 550 N 0.96 0.85 -0.07 -0.54 1.35 -0.70 -2.00 112.91 112.76 3kqu h THR 550 Ca 0.18 -1.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.28 3kqu h THR 550 Cb 0.53 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3kqu h THR 550 CO 0.03 0.40 -0.15 0.11 -0.25 0.00 0.00 175.52 175.65 3kqu h LYS 551 N 0.00 0.23 0.00 4.72 1.57 -1.12 -2.53 116.57 119.43 3kqu h LYS 551 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3kqu h LYS 551 Cb 1.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3kqu h LYS 551 CO 0.05 0.74 0.00 1.96 -0.57 0.00 0.00 179.45 181.64 3kqu h GLN 552 N -0.25 0.00 -0.00 3.15 4.20 -1.38 -1.89 115.11 118.93 3kqu h GLN 552 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kqu h GLN 552 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3kqu h GLN 552 CO 0.03 0.00 -0.35 0.00 -0.67 0.00 0.00 178.83 177.84 3kqu n ALA 553 N -1.87 3.23 -1.01 3.87 0.00 -0.76 -4.93 120.51 119.04 3kqu n ALA 553 Ca 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kqu n ALA 553 Cb 0.25 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 3kqu n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqu n GLY 554 N 1.45 0.46 3.68 0.00 0.00 -0.71 -5.00 105.19 105.07 3kqu n GLY 554 Ca 0.08 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3kqu n GLY 554 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqu n ASP 555 N 0.13 1.91 -4.79 1.61 8.00 -0.97 -4.96 116.55 117.47 3kqu n ASP 555 Ca -0.00 0.96 -0.35 0.00 0.71 0.00 0.00 54.79 56.10 3kqu n ASP 555 Cb 0.06 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.63 3kqu n ASP 555 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kqu s ASN 556 N -0.93 6.98 -1.22 -2.24 0.01 -1.26 -3.65 114.94 112.63 3kqu s ASN 556 Ca 0.70 1.85 -0.11 0.00 -0.71 0.00 0.00 52.86 54.59 3kqu s ASN 556 Cb -0.45 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.63 3kqu s ASN 556 CO 0.51 -0.33 0.70 0.49 -1.51 0.00 0.00 177.10 176.97 3kqu n PHE 557 N -0.10 -1.89 -0.03 2.20 3.01 -1.26 -4.76 117.46 114.63 3kqu n PHE 557 Ca 0.05 0.62 0.09 0.00 1.01 0.00 0.00 57.45 59.22 3kqu n PHE 557 Cb 0.51 -3.75 0.48 0.00 -0.01 0.00 0.00 39.48 36.71 3kqu n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kqu h PRO 558 N -1.82 0.43 0.15 -1.08 0.13 -1.87 -1.29 132.00 126.64 3kqu h PRO 558 Ca -0.64 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 3kqu h PRO 558 Cb 1.36 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kqu h PRO 558 CO 0.53 0.28 -0.07 -0.92 -0.23 0.00 0.00 178.00 177.59 3kqu h TYR 559 N 0.44 -0.19 -0.74 1.56 3.20 -1.88 -0.84 116.97 118.52 3kqu h TYR 559 Ca 0.21 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3kqu h TYR 559 Cb 0.27 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3kqu h TYR 559 CO -0.00 0.14 0.48 -0.07 -1.64 0.00 0.00 178.16 177.07 3kqu h LEU 560 N -0.53 0.81 0.45 2.82 3.38 -1.85 0.49 115.31 120.88 3kqu h LEU 560 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kqu h LEU 560 Cb 0.41 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kqu h LEU 560 CO 0.03 0.58 -0.26 0.58 0.09 0.00 0.00 178.44 179.46 3kqu h VAL 561 N 0.96 0.47 -0.57 1.22 2.07 -1.22 -1.80 116.25 117.38 3kqu h VAL 561 Ca 0.28 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 3kqu h VAL 561 Cb -0.06 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3kqu h VAL 561 CO -0.08 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.84 3kqu h ALA 562 N -0.14 1.52 -0.54 1.67 0.00 -0.79 -1.60 119.26 119.38 3kqu h ALA 562 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3kqu h ALA 562 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kqu h ALA 562 CO 0.07 0.42 0.15 -0.92 0.00 0.00 0.00 179.25 178.96 3kqu h TYR 563 N 0.78 0.89 -0.48 0.00 3.20 0.30 0.22 116.97 121.89 3kqu h TYR 563 Ca 0.21 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kqu h TYR 563 Cb -0.02 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3kqu h TYR 563 CO 0.00 0.77 0.19 0.37 -1.64 0.00 0.00 178.16 177.85 3kqu h GLN 564 N 0.75 0.68 -0.54 1.82 5.75 -0.85 -0.43 115.11 122.30 3kqu h GLN 564 Ca 0.17 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 3kqu h GLN 564 Cb 0.32 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3kqu h GLN 564 CO -0.00 0.57 -0.03 0.00 -2.65 0.00 0.00 178.83 176.71 3kqu h ALA 565 N 1.53 0.73 -0.04 3.38 0.00 -0.63 -1.80 119.26 122.43 3kqu h ALA 565 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kqu h ALA 565 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kqu h ALA 565 CO -0.02 0.58 0.03 1.15 0.00 0.00 0.00 179.25 180.99 3kqu h THR 566 N 0.85 1.01 -0.47 0.00 2.02 0.03 -1.14 112.91 115.21 3kqu h THR 566 Ca 0.15 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.32 3kqu h THR 566 Cb 0.58 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3kqu h THR 566 CO 0.03 0.01 0.31 0.58 0.37 0.00 0.00 175.52 176.82 3kqu h VAL 567 N 0.05 1.10 0.39 3.16 2.07 -1.02 -1.43 116.25 120.57 3kqu h VAL 567 Ca 0.01 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3kqu h VAL 567 Cb -0.01 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3kqu h VAL 567 CO -0.00 0.11 -0.33 0.00 0.02 0.00 0.00 177.57 177.37 3kqu h ALA 569 N -0.24 0.84 0.00 0.00 0.00 -1.08 0.22 119.26 119.00 3kqu h ALA 569 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kqu h ALA 569 Cb 0.64 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kqu h ALA 569 CO -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 178.94 3kqu h ARG 570 N 0.37 0.00 -0.29 0.00 3.08 -0.93 -0.31 114.38 116.29 3kqu h ARG 570 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3kqu h ARG 570 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3kqu h ARG 570 CO -0.37 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 178.58 3kqu n ALA 571 N -2.18 2.41 -3.11 0.04 0.00 0.20 -4.94 120.51 112.92 3kqu n ALA 571 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 3kqu n ALA 571 Cb 0.19 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 18.90 3kqu n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqu n GLN 572 N 1.26 -3.79 -4.14 0.00 6.02 0.54 -4.88 117.38 112.40 3kqu n GLN 572 Ca 0.16 0.66 -0.26 0.00 -0.01 0.00 0.00 57.00 57.55 3kqu n GLN 572 Cb 0.54 -5.42 -0.06 0.00 1.02 0.00 0.00 30.24 26.32 3kqu n GLN 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqu s ALA 573 N -2.99 3.41 0.67 -1.58 0.00 0.02 0.07 121.76 121.35 3kqu s ALA 573 Ca 0.31 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3kqu s ALA 573 Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 3kqu s ALA 573 CO 0.38 0.50 1.06 -1.25 0.00 0.00 0.00 175.76 176.45 3kqu s PRO 574 N -3.02 3.20 0.98 0.00 0.04 -1.26 -4.19 135.00 130.75 3kqu s PRO 574 Ca 0.29 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 3kqu s PRO 574 Cb -0.10 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.58 3kqu s PRO 574 CO 0.21 -0.83 1.14 -1.25 0.04 0.00 0.00 177.00 176.31 3kqu s PRO 575 N -5.24 0.58 0.47 0.56 0.04 -1.26 -4.45 135.00 125.70 3kqu s PRO 575 Ca 0.57 0.21 0.26 0.00 0.04 0.00 0.00 61.00 62.08 3kqu s PRO 575 Cb -0.11 -1.78 1.30 0.00 0.04 0.00 0.00 34.50 33.94 3kqu s PRO 575 CO 0.53 -2.56 1.83 -1.35 0.04 0.00 0.00 177.00 175.49 3kqu h PRO 576 N -1.76 0.20 0.00 0.56 0.11 -1.96 -3.44 132.00 125.71 3kqu h PRO 576 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3kqu h PRO 576 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kqu h PRO 576 CO 0.55 0.13 0.10 -1.13 -0.21 0.00 0.00 178.00 177.44 3kqu n SER 577 N -4.41 -1.02 -1.63 -2.05 3.41 -1.26 -0.74 113.62 105.93 3kqu n SER 577 Ca 0.22 -1.76 -0.16 0.00 -0.26 0.00 0.00 58.87 56.91 3kqu n SER 577 Cb 0.94 1.71 0.09 0.00 -0.26 0.00 0.00 64.21 66.68 3kqu n SER 577 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kqu n TRP 578 N -0.25 1.98 -2.51 7.33 7.02 -1.26 -4.82 117.44 124.93 3kqu n TRP 578 Ca -0.04 -2.06 -0.23 0.00 -1.02 0.00 0.00 57.50 54.16 3kqu n TRP 578 Cb 0.28 -0.44 0.06 0.00 -2.42 0.00 0.00 31.31 28.78 3kqu n TRP 578 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 3kqu s ASP 579 N -3.22 4.99 0.30 -0.99 1.47 -1.26 -4.93 116.67 113.03 3kqu s ASP 579 Ca 0.49 0.05 0.06 0.00 1.18 0.00 0.00 52.55 54.32 3kqu s ASP 579 Cb 0.41 -0.79 0.83 0.00 -0.34 0.00 0.00 42.92 43.03 3kqu s ASP 579 CO 0.01 -1.39 1.46 0.00 0.68 0.00 0.00 175.17 175.93 3kqu n GLN 580 N -2.58 -0.07 -0.33 2.11 1.13 -1.26 -0.92 117.38 115.46 3kqu n GLN 580 Ca 0.09 1.37 0.30 0.00 -1.94 0.00 0.00 57.00 56.83 3kqu n GLN 580 Cb 0.60 -2.24 0.64 0.00 0.11 0.00 0.00 30.24 29.36 3kqu n GLN 580 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 3kqu h MET 581 N 0.00 0.17 -0.36 -1.09 4.05 -1.98 -1.08 114.93 114.64 3kqu h MET 581 Ca 0.61 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 60.02 3kqu h MET 581 Cb 1.36 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 3kqu h MET 581 CO -0.84 0.11 0.00 0.91 0.23 0.00 0.00 176.91 177.32 3kqu n TRP 582 N -4.40 1.09 -0.08 1.39 7.02 -0.10 -4.70 117.44 117.66 3kqu n TRP 582 Ca 0.26 -0.76 0.20 0.00 -1.02 0.00 0.00 57.50 56.18 3kqu n TRP 582 Cb 1.11 -0.29 0.64 0.00 -2.42 0.00 0.00 31.31 30.35 3kqu n TRP 582 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3kqu h LYS 583 N 2.41 0.12 0.00 -0.99 2.10 -1.24 -1.29 116.57 117.67 3kqu h LYS 583 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3kqu h LYS 583 Cb 1.40 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3kqu h LYS 583 CO 0.23 0.08 0.02 0.00 -2.00 0.00 0.00 179.45 177.77 3kqu n LEU 585 N -1.46 0.41 -0.30 0.00 4.77 -0.49 -4.56 117.00 115.38 3kqu n LEU 585 Ca 0.00 -0.36 0.21 0.00 -0.03 0.00 0.00 56.01 55.82 3kqu n LEU 585 Cb 0.02 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.61 3kqu n LEU 585 CO 0.00 0.10 1.22 -0.29 -1.33 0.00 0.00 177.39 177.09 3kqu h ILE 586 N 0.00 0.59 0.00 -0.08 -0.00 -1.26 0.33 117.51 117.09 3kqu h ILE 586 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 3kqu h ILE 586 Cb 0.36 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.31 3kqu h ILE 586 CO 0.00 0.08 0.02 -0.09 -0.00 0.00 0.00 178.15 178.16 3kqu h ARG 587 N 0.43 0.00 -0.01 2.19 2.43 -1.80 -1.35 114.38 116.27 3kqu h ARG 587 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 3kqu h ARG 587 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3kqu h ARG 587 CO -0.25 0.00 -0.27 1.28 -1.51 0.00 0.00 179.97 179.22 3kqu n LEU 588 N -2.69 1.48 -0.22 3.80 4.32 0.11 -4.75 117.00 119.05 3kqu n LEU 588 Ca -0.02 -0.77 0.06 0.00 -0.02 0.00 0.00 56.01 55.25 3kqu n LEU 588 Cb 0.07 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 41.99 3kqu n LEU 588 CO 0.15 0.29 0.43 1.17 -1.22 0.00 0.00 177.39 178.21 3kqu n LYS 589 N -0.14 -0.05 0.27 3.23 4.81 -0.51 0.43 118.16 126.20 3kqu n LYS 589 Ca 0.06 0.94 0.15 0.00 -0.87 0.00 0.00 58.31 58.58 3kqu n LYS 589 Cb 0.29 -1.43 0.86 0.00 0.02 0.00 0.00 35.03 34.76 3kqu n LYS 589 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3kqu h PRO 590 N 0.00 0.00 0.00 1.64 0.11 -1.85 -3.00 132.00 128.90 3kqu h PRO 590 Ca 0.32 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.07 3kqu h PRO 590 Cb 0.56 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.60 3kqu h PRO 590 CO -0.61 0.00 -2.29 0.25 -0.21 0.00 0.00 178.00 175.14 3kqu n THR 591 N -3.94 1.43 -2.18 -1.15 -2.24 0.17 -4.96 114.28 101.41 3kqu n THR 591 Ca -0.02 -0.84 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 3kqu n THR 591 Cb 0.13 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 3kqu n THR 591 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kqu s LEU 592 N -5.60 4.45 0.06 3.22 1.43 -0.89 -4.87 118.68 116.47 3kqu s LEU 592 Ca -0.10 2.59 -0.26 0.00 -1.03 0.00 0.00 54.13 55.34 3kqu s LEU 592 Cb 0.06 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.73 3kqu s LEU 592 CO 0.83 -0.47 0.75 -1.38 0.23 0.00 0.00 176.35 176.30 3kqu s HIS 593 N -1.00 -0.45 0.00 0.29 -3.43 0.11 -4.76 115.29 106.05 3kqu s HIS 593 Ca 0.49 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.07 3kqu s HIS 593 Cb -0.38 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 3kqu s HIS 593 CO 0.49 -0.68 0.00 0.41 -2.00 0.00 0.00 174.74 172.96 3kqu n GLY 594 N -0.22 -1.81 3.85 -1.38 0.00 -1.26 -4.16 105.19 100.20 3kqu n GLY 594 Ca -0.13 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 3kqu n GLY 594 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqu s PRO 595 N 0.00 3.25 -0.05 1.61 0.04 -1.26 -4.49 135.00 134.11 3kqu s PRO 595 Ca 0.00 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.63 3kqu s PRO 595 Cb 0.00 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3kqu s PRO 595 CO 0.00 -0.83 0.61 0.99 0.04 0.00 0.00 177.00 177.81 3kqu s THR 596 N -3.14 5.01 -1.33 1.26 2.01 0.53 -4.56 115.64 115.41 3kqu s THR 596 Ca 0.57 1.26 -0.17 0.00 0.31 0.00 0.00 61.69 63.66 3kqu s THR 596 Cb -0.12 -3.95 0.07 0.00 0.01 0.00 0.00 72.50 68.51 3kqu s THR 596 CO 0.54 0.34 1.85 -2.65 -0.69 0.00 0.00 174.62 174.01 3kqu n PRO 597 N 3.26 3.13 -1.78 4.92 -0.02 -1.26 -0.72 135.00 142.53 3kqu n PRO 597 Ca -0.05 -3.15 -0.42 0.00 -2.02 0.00 0.00 63.50 57.86 3kqu n PRO 597 Cb 0.51 -3.42 -0.03 0.00 -0.02 0.00 0.00 33.50 30.55 3kqu n PRO 597 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kqu s LEU 598 N 3.52 4.40 -0.07 2.45 2.96 -1.10 -4.88 118.68 125.97 3kqu s LEU 598 Ca 0.51 2.56 0.08 0.00 -0.22 0.00 0.00 54.13 57.06 3kqu s LEU 598 Cb 0.06 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.98 3kqu s LEU 598 CO 0.03 -1.01 0.54 0.18 -1.32 0.00 0.00 176.35 174.78 3kqu n LEU 599 N 7.14 1.30 -3.77 -0.68 4.77 -1.26 -4.79 117.00 119.71 3kqu n LEU 599 Ca 0.19 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.51 3kqu n LEU 599 Cb 0.41 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3kqu n LEU 599 CO 0.66 0.52 1.01 -0.72 -1.33 0.00 0.00 177.39 177.53 3kqu s TYR 600 N -2.58 -0.01 -0.26 -1.77 -0.85 -1.26 -4.58 117.35 106.03 3kqu s TYR 600 Ca -0.10 -0.15 -0.06 0.00 -0.52 0.00 0.00 57.07 56.24 3kqu s TYR 600 Cb 0.08 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.98 3kqu s TYR 600 CO 0.81 -0.40 0.05 1.03 -1.52 0.00 0.00 175.55 175.52 3kqu s ARG 601 N -2.34 3.35 0.00 -3.49 0.52 -0.64 -4.91 118.95 111.44 3kqu s ARG 601 Ca 0.20 -0.67 0.11 0.00 -0.52 0.00 0.00 55.73 54.84 3kqu s ARG 601 Cb 0.02 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 3kqu s ARG 601 CO -0.01 -0.30 0.59 1.28 0.02 0.00 0.00 175.30 176.88 3kqu n LEU 602 N 4.87 1.02 0.00 2.53 4.77 -1.26 -0.78 117.00 128.14 3kqu n LEU 602 Ca -0.16 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3kqu n LEU 602 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3kqu n LEU 602 CO 0.31 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3kqu n GLY 603 N 1.04 1.14 3.77 -0.72 0.00 -1.26 -4.87 105.19 104.28 3kqu n GLY 603 Ca 0.04 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 3kqu n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqu s ALA 604 N -1.00 3.37 -0.19 4.61 0.00 -1.26 -5.02 121.76 122.26 3kqu s ALA 604 Ca 0.00 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 3kqu s ALA 604 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3kqu s ALA 604 CO 0.00 -0.54 -0.16 0.08 0.00 0.00 0.00 175.76 175.14 3kqu s VAL 605 N -1.22 2.37 -0.13 0.00 1.01 -1.26 -4.45 120.40 116.71 3kqu s VAL 605 Ca 0.51 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3kqu s VAL 605 Cb -0.36 -2.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.87 3kqu s VAL 605 CO 0.47 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 176.00 3kqu n GLN 606 N 4.66 1.13 -1.59 2.72 6.02 0.08 -5.00 117.38 125.40 3kqu n GLN 606 Ca -0.20 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.53 3kqu n GLN 606 Cb 0.50 -1.30 0.08 0.00 1.02 0.00 0.00 30.24 30.54 3kqu n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3kqu s ASN 607 N -5.00 4.76 0.75 1.08 2.47 -0.82 -5.01 114.94 113.17 3kqu s ASN 607 Ca -0.14 1.35 -0.14 0.00 0.42 0.00 0.00 52.86 54.35 3kqu s ASN 607 Cb 0.04 -2.12 0.05 0.00 -1.45 0.00 0.00 41.25 37.77 3kqu s ASN 607 CO 0.40 -1.81 1.18 -1.61 -3.72 0.00 0.00 177.10 171.55 3kqu s GLU 608 N -5.15 2.04 -0.01 0.43 2.02 -1.26 -4.84 118.70 111.93 3kqu s GLU 608 Ca 0.60 1.67 0.05 0.00 0.02 0.00 0.00 54.97 57.31 3kqu s GLU 608 Cb -0.14 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 3kqu s GLU 608 CO 0.54 -1.89 -0.15 0.08 0.02 0.00 0.00 175.26 173.85 3kqu s VAL 609 N -2.16 1.21 -0.04 2.63 1.01 -1.26 -0.34 120.40 121.45 3kqu s VAL 609 Ca 0.72 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3kqu s VAL 609 Cb -0.27 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3kqu s VAL 609 CO 0.47 0.31 -0.24 0.28 0.00 0.00 0.00 175.10 175.92 3kqu s THR 610 N -0.41 2.19 -0.20 3.92 -1.32 0.10 -4.82 115.64 115.10 3kqu s THR 610 Ca 0.06 -1.04 0.15 0.00 -1.21 0.00 0.00 61.69 59.65 3kqu s THR 610 Cb -0.06 -1.79 0.50 0.00 -1.51 0.00 0.00 72.50 69.64 3kqu s THR 610 CO -0.00 0.58 1.40 0.35 -2.21 0.00 0.00 174.62 174.73 3kqu n THR 611 N 2.67 2.30 1.04 5.08 -2.24 -1.26 -2.69 114.28 119.17 3kqu n THR 611 Ca -0.17 -2.11 0.12 0.00 -2.27 0.00 0.00 64.05 59.62 3kqu n THR 611 Cb 0.52 -0.27 0.22 0.00 -2.10 0.00 0.00 70.33 68.70 3kqu n THR 611 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kqu n THR 612 N -0.76 0.07 -2.01 4.28 -2.24 -1.26 -4.55 114.28 107.81 3kqu n THR 612 Ca 0.23 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3kqu n THR 612 Cb 0.89 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 70.26 3kqu n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kqu s HIS 613 N -1.93 2.97 0.26 4.78 5.04 -1.26 -4.81 115.29 120.34 3kqu s HIS 613 Ca 0.32 1.14 -0.06 0.00 -1.54 0.00 0.00 55.06 54.91 3kqu s HIS 613 Cb 0.20 -3.81 0.48 0.00 0.04 0.00 0.00 32.58 29.49 3kqu s HIS 613 CO 0.31 -2.52 1.60 -1.35 -2.34 0.00 0.00 174.74 170.44 3kqu h PRO 614 N 4.36 0.04 -0.52 2.88 0.11 -1.99 0.23 132.00 137.11 3kqu h PRO 614 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kqu h PRO 614 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3kqu h PRO 614 CO 0.73 0.02 0.29 0.82 -0.21 0.00 0.00 178.00 179.65 3kqu h ILE 615 N 0.04 1.18 -0.26 4.15 2.04 -1.97 0.17 117.51 122.84 3kqu h ILE 615 Ca 0.45 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3kqu h ILE 615 Cb 0.80 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3kqu h ILE 615 CO -0.82 0.19 0.07 0.74 0.00 0.00 0.00 178.15 178.34 3kqu h THR 616 N 0.70 0.91 -0.96 -0.27 2.02 -0.91 0.13 112.91 114.52 3kqu h THR 616 Ca 0.18 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3kqu h THR 616 Cb 0.05 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3kqu h THR 616 CO -0.03 0.03 0.64 0.11 0.37 0.00 0.00 175.52 176.64 3kqu h LYS 617 N 0.19 1.26 -0.41 6.66 1.57 -0.80 -0.70 116.57 124.34 3kqu h LYS 617 Ca 0.12 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3kqu h LYS 617 Cb 0.10 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3kqu h LYS 617 CO -0.14 0.84 0.13 -0.92 -0.57 0.00 0.00 179.45 178.79 3kqu h TYR 618 N 1.30 0.66 -0.36 -1.35 3.20 0.35 -1.59 116.97 119.17 3kqu h TYR 618 Ca 0.35 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3kqu h TYR 618 Cb -0.14 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 3kqu h TYR 618 CO -0.00 0.60 0.18 0.82 -1.64 0.00 0.00 178.16 178.12 3kqu h ILE 619 N 0.52 1.17 -0.80 1.81 1.08 -0.28 -1.09 117.51 119.91 3kqu h ILE 619 Ca 0.13 -0.47 0.07 0.00 -0.39 0.00 0.00 64.86 64.20 3kqu h ILE 619 Cb 0.25 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.75 3kqu h ILE 619 CO -0.01 0.18 0.48 0.24 -0.69 0.00 0.00 178.15 178.35 3kqu h MET 620 N 0.45 0.84 -0.14 2.37 2.86 -0.93 -0.60 114.93 119.77 3kqu h MET 620 Ca 0.13 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3kqu h MET 620 Cb 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3kqu h MET 620 CO -0.02 0.55 -0.23 0.00 1.06 0.00 0.00 176.91 178.27 3kqu h ALA 621 N 1.40 1.34 0.00 6.32 0.00 -0.95 -0.65 119.26 126.73 3kqu h ALA 621 Ca 0.36 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kqu h ALA 621 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kqu h ALA 621 CO -0.19 0.45 -0.19 0.00 0.00 0.00 0.00 179.25 179.32 3kqu h MET 623 N 0.00 0.12 0.00 0.00 2.86 -0.65 -3.35 114.93 113.92 3kqu h MET 623 Ca -0.00 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 3kqu h MET 623 Cb 0.52 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3kqu h MET 623 CO 0.02 0.87 -0.12 0.77 1.06 0.00 0.00 176.91 179.52 3kqu h SER 624 N 0.03 0.00 0.00 1.22 0.02 -1.06 -3.52 113.55 110.25 3kqu h SER 624 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3kqu h SER 624 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 3kqu h SER 624 CO 0.11 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.93