#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 2.16 -1.80 -1.46 -0.02 -1.26 -4.91 135.00 127.70 3kqu n PRO 190 Ca 0.00 0.78 -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 0.59 4.14 0.33 0.52 0.02 -1.26 -4.96 135.00 134.37 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 30.74 3kqu s PRO 191 CO 0.41 -0.60 1.10 0.00 -0.33 0.00 0.00 177.00 177.57 3kqu s ALA 192 N -0.08 3.28 -0.33 -1.55 0.00 -1.26 -4.95 121.76 116.87 3kqu s ALA 192 Ca 0.62 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 3kqu s ALA 192 Cb -0.47 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 3kqu s ALA 192 CO 0.48 -0.24 1.65 0.08 0.00 0.00 0.00 175.76 177.73 3kqu s VAL 193 N -1.34 3.64 0.93 0.00 1.01 -1.26 -4.99 120.40 118.39 3kqu s VAL 193 Ca 0.50 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 3kqu s VAL 193 Cb -0.29 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.43 3kqu s VAL 193 CO 0.37 -0.48 1.13 -2.16 0.00 0.00 0.00 175.10 173.96 3kqu s PRO 194 N 5.26 0.96 0.24 2.72 0.04 -1.26 -4.97 135.00 137.99 3kqu s PRO 194 Ca 0.73 0.34 0.24 0.00 0.04 0.00 0.00 61.00 62.35 3kqu s PRO 194 Cb -0.21 -1.81 0.42 0.00 0.04 0.00 0.00 34.50 32.94 3kqu s PRO 194 CO 0.33 -2.33 1.48 1.96 0.04 0.00 0.00 177.00 178.47 3kqu h GLN 195 N -1.59 0.00 -5.20 4.56 7.50 -1.94 -3.46 115.11 114.97 3kqu h GLN 195 Ca -0.52 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 28.68 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 0.29 -0.54 -4.23 -1.26 -5.06 115.64 102.77 3kqu s THR 196 Ca 0.07 -1.61 -0.26 0.00 -1.18 0.00 0.00 61.69 58.71 3kqu s THR 196 Cb 0.10 -1.37 -0.15 0.00 1.34 0.00 0.00 72.50 72.42 3kqu s THR 196 CO 0.68 -0.44 0.55 0.33 -0.54 0.00 0.00 174.62 175.20 3kqu n PHE 197 N 0.68 -0.42 -3.64 3.99 7.35 -1.25 -4.86 117.46 119.31 3kqu n PHE 197 Ca -0.17 0.80 -0.08 0.00 -0.76 0.00 0.00 57.45 57.24 3kqu n PHE 197 Cb 0.57 -1.99 -0.07 0.00 0.35 0.00 0.00 39.48 38.34 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 -1.21 0.53 -0.25 -4.13 0.74 -0.95 -5.01 119.66 109.38 3kqu s GLN 198 Ca 0.62 0.70 -0.08 0.00 0.05 0.00 0.00 55.36 56.66 3kqu s GLN 198 Cb -0.78 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 33.52 3kqu s GLN 198 CO 0.58 -0.08 0.09 0.08 -0.55 0.00 0.00 175.29 175.41 3kqu s VAL 199 N 0.59 4.48 0.37 1.34 1.01 -1.26 -1.71 120.40 125.22 3kqu s VAL 199 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.93 3kqu s VAL 199 Cb -0.05 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 3kqu s VAL 199 CO -0.08 0.34 -0.02 0.00 0.00 0.00 0.00 175.10 175.34 3kqu s ALA 200 N 1.53 2.91 0.12 5.51 0.00 -0.21 -4.98 121.76 126.64 3kqu s ALA 200 Ca 0.06 -2.17 0.07 0.00 0.00 0.00 0.00 51.96 49.92 3kqu s ALA 200 Cb -0.15 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3kqu s ALA 200 CO 0.04 -0.09 -0.10 -1.01 0.00 0.00 0.00 175.76 174.60 3kqu s HIS 201 N -2.80 2.71 -0.11 0.00 3.76 -1.26 -1.13 115.29 116.47 3kqu s HIS 201 Ca 0.34 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.05 3kqu s HIS 201 Cb 0.07 -1.41 0.04 0.00 1.11 0.00 0.00 32.58 32.40 3kqu s HIS 201 CO 0.17 0.44 0.03 -1.17 -0.85 0.00 0.00 174.74 173.36 3kqu s LEU 202 N -2.31 0.61 -0.16 0.89 2.96 -0.70 -4.76 118.68 115.21 3kqu s LEU 202 Ca 0.22 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3kqu s LEU 202 Cb -0.11 -0.39 0.02 0.00 0.50 0.00 0.00 46.19 46.21 3kqu s LEU 202 CO 0.14 -0.26 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.75 3kqu s HIS 203 N 2.01 2.39 -0.09 5.38 3.76 -1.26 -2.17 115.29 125.31 3kqu s HIS 203 Ca 0.03 -1.36 -0.21 0.00 -0.15 0.00 0.00 55.06 53.38 3kqu s HIS 203 Cb -0.14 -1.71 0.05 0.00 1.11 0.00 0.00 32.58 31.89 3kqu s HIS 203 CO -0.06 -0.71 0.49 0.00 -0.85 0.00 0.00 174.74 173.61 3kqu s ALA 204 N 1.37 -1.24 0.97 -1.40 0.00 -1.18 -5.03 121.76 115.25 3kqu s ALA 204 Ca 0.04 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3kqu s ALA 204 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3kqu s ALA 204 CO -0.11 -0.29 0.08 -0.35 0.00 0.00 0.00 175.76 175.10 3kqu n PRO 205 N 1.70 -0.26 -1.97 0.00 -0.04 -1.26 -3.81 135.00 129.36 3kqu n PRO 205 Ca -0.18 -0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 62.82 3kqu n PRO 205 Cb 0.56 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.29 2.55 0.00 0.52 -4.23 -1.26 -2.40 115.64 108.52 3kqu s THR 206 Ca 0.53 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 3kqu s THR 206 Cb -0.20 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.35 3kqu s THR 206 CO 0.71 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 3kqu n GLY 207 N 2.08 0.92 0.20 3.99 0.00 -1.26 -4.92 105.19 106.21 3kqu n GLY 207 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.80 -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 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3kqu n GLY 209 N -0.14 1.92 0.25 -0.77 0.00 -1.26 -4.92 105.19 100.27 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 0.21 -0.01 1.61 1.57 -1.91 -1.04 116.57 117.00 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 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3kqu h LYS 210 CO 0.00 0.26 -0.38 0.43 -0.57 0.00 0.00 179.45 179.19 3kqu n SER 211 N -4.38 1.45 0.03 0.86 7.64 -1.26 -4.33 113.62 113.63 3kqu n SER 211 Ca -0.01 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.72 3kqu n SER 211 Cb 0.19 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.42 0.35 0.20 0.44 -2.24 -0.99 -4.75 114.28 106.88 3kqu n THR 212 Ca 0.11 0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.86 3kqu n THR 212 Cb 0.40 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.52 -0.05 -0.78 1.57 -1.49 -2.56 116.57 112.73 3kqu h LYS 213 Ca 0.00 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3kqu h LYS 213 Cb 0.00 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3kqu h LYS 213 CO 0.00 -0.35 -0.54 0.28 -0.57 0.00 0.00 179.45 178.28 3kqu h VAL 214 N -0.54 0.01 -0.09 0.50 2.07 -1.67 0.95 116.25 117.48 3kqu h VAL 214 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3kqu h VAL 214 Cb 0.46 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3kqu h VAL 214 CO 0.01 0.00 0.08 1.55 0.02 0.00 0.00 177.57 179.23 3kqu h PRO 215 N -0.64 0.00 0.08 1.57 0.13 -1.75 -1.64 132.00 129.75 3kqu h PRO 215 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3kqu h PRO 215 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3kqu h PRO 215 CO -0.39 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 177.34 3kqu h ALA 216 N 1.92 -0.11 -0.91 -0.56 0.00 -0.69 -2.32 119.26 116.59 3kqu h ALA 216 Ca 0.04 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.91 3kqu h ALA 216 Cb 0.20 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3kqu h ALA 216 CO -0.00 -0.33 0.59 0.00 0.00 0.00 0.00 179.25 179.51 3kqu h ALA 217 N 0.28 1.98 -0.38 0.00 0.00 0.02 0.90 119.26 122.07 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 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kqu h ALA 217 CO 0.02 -0.26 -0.34 1.88 0.00 0.00 0.00 179.25 180.55 3kqu h TYR 218 N 0.57 1.07 -0.77 0.00 0.05 -1.31 -2.87 116.97 113.71 3kqu h TYR 218 Ca 0.48 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 3kqu h TYR 218 Cb 0.95 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.43 3kqu h TYR 218 CO -0.00 1.12 0.37 0.00 -1.05 0.00 0.00 178.16 178.60 3kqu h ALA 219 N 0.77 1.20 -0.09 3.88 0.00 -0.37 -1.38 119.26 123.26 3kqu h ALA 219 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kqu h ALA 219 Cb 0.92 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kqu h ALA 219 CO 0.09 0.61 0.09 0.00 0.00 0.00 0.00 179.25 180.04 3kqu h ALA 220 N 1.31 1.73 -0.29 0.00 0.00 -0.71 0.13 119.26 121.44 3kqu h ALA 220 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kqu h ALA 220 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kqu h ALA 220 CO -0.03 -0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.11 3kqu n GLN 221 N -3.93 1.91 -1.70 0.00 6.02 -0.54 -4.88 117.38 114.26 3kqu n GLN 221 Ca -0.01 -1.13 -0.00 0.00 -0.01 0.00 0.00 57.00 55.85 3kqu n GLN 221 Cb 0.20 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 0.81 0.37 3.80 1.08 0.00 0.47 -5.06 105.19 106.66 3kqu n GLY 222 Ca 0.10 -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 3.23 -0.27 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 0.00 175.55 175.00 3kqu s LYS 224 N -2.57 4.02 -0.07 -0.62 1.02 -1.26 -4.22 119.74 116.03 3kqu s LYS 224 Ca 0.30 -0.00 0.05 0.00 0.02 0.00 0.00 55.97 56.34 3kqu s LYS 224 Cb -0.12 -3.65 -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 2.31 -0.16 3.17 1.01 0.98 -1.21 120.40 128.47 3kqu s VAL 225 Ca 0.14 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 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 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.48 3kqu s LEU 226 N -0.08 3.03 -0.25 3.92 2.96 -0.43 -0.63 118.68 127.19 3kqu s LEU 226 Ca -0.05 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3kqu s LEU 226 Cb -0.14 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.87 3kqu s LEU 226 CO 0.04 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.44 3kqu s VAL 227 N 0.52 2.56 -0.22 1.68 1.01 0.17 -0.42 120.40 125.70 3kqu s VAL 227 Ca -0.05 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 3kqu s VAL 227 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3kqu s VAL 227 CO 0.03 0.10 0.28 -0.76 0.00 0.00 0.00 175.10 174.75 3kqu s LEU 228 N 1.23 4.13 0.00 3.92 1.43 -0.54 -0.94 118.68 127.91 3kqu s LEU 228 Ca -0.03 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 3kqu s LEU 228 Cb -0.18 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 3kqu s LEU 228 CO -0.05 -0.01 -0.15 0.21 0.23 0.00 0.00 176.35 176.59 3kqu s ASN 229 N 1.07 1.73 0.48 2.29 3.84 0.21 -1.18 114.94 123.38 3kqu s ASN 229 Ca 0.13 -0.31 0.28 0.00 0.21 0.00 0.00 52.86 53.16 3kqu s ASN 229 Cb -0.14 -0.17 0.95 0.00 -0.55 0.00 0.00 41.25 41.34 3kqu s ASN 229 CO 0.06 0.15 1.83 1.55 -2.79 0.00 0.00 177.10 177.90 3kqu h PRO 230 N 5.57 0.00 -5.89 0.43 0.13 -1.87 -2.49 132.00 127.88 3kqu h PRO 230 Ca -0.36 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.21 3kqu h PRO 230 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 3kqu h PRO 230 CO 0.48 0.09 -0.03 0.45 -0.23 0.00 0.00 178.00 178.75 3kqu s SER 231 N -5.98 6.83 0.10 1.44 0.15 -1.26 -4.75 113.70 110.23 3kqu s SER 231 Ca 0.02 1.00 -0.11 0.00 0.70 0.00 0.00 55.95 57.56 3kqu s SER 231 Cb 0.08 -2.35 -0.16 0.00 -1.71 0.00 0.00 66.02 61.89 3kqu s SER 231 CO 0.61 -0.04 1.27 0.58 1.20 0.00 0.00 173.24 176.85 3kqu h VAL 232 N 4.70 1.30 -0.59 4.45 2.07 -1.90 -2.11 116.25 124.17 3kqu h VAL 232 Ca -0.41 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 3kqu h VAL 232 Cb 1.19 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 3kqu h VAL 232 CO 0.75 0.67 0.32 0.00 0.02 0.00 0.00 177.57 179.33 3kqu h ALA 233 N 0.54 0.75 -0.14 1.67 0.00 -1.93 -2.18 119.26 117.99 3kqu h ALA 233 Ca -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3kqu h ALA 233 Cb 1.54 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kqu h ALA 233 CO 0.18 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 3kqu h ALA 234 N 1.15 0.19 -0.10 0.00 0.00 -1.85 -2.10 119.26 116.54 3kqu h ALA 234 Ca 0.21 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3kqu h ALA 234 Cb 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kqu h ALA 234 CO -0.03 -0.07 -0.29 1.15 0.00 0.00 0.00 179.25 180.01 3kqu h THR 235 N -0.05 0.34 -0.54 0.00 2.02 -1.30 0.76 112.91 114.14 3kqu h THR 235 Ca 0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.23 3kqu h THR 235 Cb 0.45 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3kqu h THR 235 CO 0.01 0.00 0.36 -0.07 0.37 0.00 0.00 175.52 176.19 3kqu h LEU 236 N -0.38 0.59 -1.47 2.58 3.38 -1.43 -1.70 115.31 116.87 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 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kqu h LEU 236 CO -0.31 0.42 0.01 1.23 0.09 0.00 0.00 178.44 179.87 3kqu h GLY 237 N 0.69 0.37 1.85 0.83 0.00 -0.20 -1.98 103.07 104.63 3kqu h GLY 237 Ca 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3kqu h GLY 237 CO -0.05 0.18 -0.32 0.74 0.00 0.00 0.00 176.54 177.09 3kqu h PHE 238 N 0.34 0.19 0.44 5.60 0.04 -0.12 -2.48 116.94 120.96 3kqu h PHE 238 Ca 0.08 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3kqu h PHE 238 Cb 0.22 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3kqu h PHE 238 CO 0.01 0.48 -0.47 0.78 -0.60 0.00 0.00 178.31 178.50 3kqu h GLY 239 N 1.05 -1.14 0.82 -1.45 0.00 -1.32 0.57 103.07 101.61 3kqu h GLY 239 Ca 0.02 0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 3kqu h GLY 239 CO 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 176.54 176.23 3kqu h ALA 240 N -0.69 -0.03 0.15 3.60 0.00 -1.60 -2.87 119.26 117.83 3kqu h ALA 240 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kqu h ALA 240 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kqu h ALA 240 CO -0.08 -0.43 -0.07 -0.92 0.00 0.00 0.00 179.25 177.75 3kqu h TYR 241 N -0.21 -0.19 -0.15 0.00 5.03 -1.39 -2.06 116.97 117.99 3kqu h TYR 241 Ca -0.00 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 3kqu h TYR 241 Cb 0.20 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 3kqu h TYR 241 CO -0.02 -0.11 0.12 0.52 -1.32 0.00 0.00 178.16 177.35 3kqu h MET 242 N -0.22 0.00 0.59 1.82 2.86 -0.96 -0.66 114.93 118.36 3kqu h MET 242 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3kqu h MET 242 Cb 0.17 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.83 3kqu h MET 242 CO 0.03 0.00 -0.28 1.03 1.06 0.00 0.00 176.91 178.75 3kqu h SER 243 N 0.00 -0.67 -0.22 1.22 0.87 -1.15 -1.47 113.55 112.14 3kqu h SER 243 Ca 0.07 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3kqu h SER 243 Cb 0.31 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3kqu h SER 243 CO -0.00 -0.40 0.00 2.29 -0.53 0.00 0.00 176.83 178.19 3kqu n LYS 244 N -4.56 1.56 0.00 2.24 2.85 -0.95 -2.12 118.16 117.18 3kqu n LYS 244 Ca -0.10 -0.87 0.00 0.00 -1.05 0.00 0.00 58.31 56.29 3kqu n LYS 244 Cb 0.31 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 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 0.17 0.94 -0.88 0.58 0.00 -0.27 -4.78 120.51 116.26 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.59 -5.02 115.22 113.16 3kqu n HIS 246 Ca 0.00 -0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 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 -0.09 -0.35 3.01 -1.41 0.00 -0.90 -4.94 105.19 100.51 3kqu n GLY 247 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.05 -0.77 -0.53 -0.61 2.07 -1.09 -5.02 121.20 111.20 3kqu s ILE 248 Ca 0.14 -0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 58.99 3kqu s ILE 248 Cb -0.07 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.59 3kqu s ILE 248 CO 0.96 -0.13 1.39 -1.81 -1.91 0.00 0.00 174.94 173.44 3kqu s ASP 249 N 2.66 6.21 0.71 4.50 1.11 -1.26 -3.90 116.67 126.70 3kqu s ASP 249 Ca 0.13 0.37 -0.10 0.00 0.18 0.00 0.00 52.55 53.13 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 -1.63 1.07 -2.16 1.18 0.00 0.00 175.17 173.40 3kqu s PRO 250 N 5.32 2.61 0.28 8.23 0.04 -1.26 -4.37 135.00 145.85 3kqu s PRO 250 Ca 0.53 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 3kqu s PRO 250 Cb -0.11 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3kqu s PRO 250 CO 0.27 -1.11 1.00 -0.80 0.04 0.00 0.00 177.00 176.40 3kqu s ASN 251 N -4.41 7.41 -0.07 6.66 0.01 -0.60 -4.70 114.94 119.25 3kqu s ASN 251 Ca 0.58 2.05 0.04 0.00 -0.71 0.00 0.00 52.86 54.83 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 -0.02 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.24 3kqu s ILE 252 N -1.26 1.63 -0.13 0.60 -1.09 -0.22 -0.86 121.20 119.86 3kqu s ILE 252 Ca 0.45 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3kqu s ILE 252 Cb -0.27 -1.41 0.04 0.00 -1.58 0.00 0.00 42.46 39.24 3kqu s ILE 252 CO 0.34 0.46 -0.00 -0.13 -1.23 0.00 0.00 174.94 174.38 3kqu s ARG 253 N 0.24 0.81 0.27 2.79 0.52 -0.22 -0.46 118.95 122.89 3kqu s ARG 253 Ca -0.10 -0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 54.82 3kqu s ARG 253 Cb -0.15 -1.57 -0.00 0.00 0.52 0.00 0.00 34.95 33.75 3kqu s ARG 253 CO 0.05 -0.44 0.46 0.95 0.02 0.00 0.00 175.30 176.34 3kqu s THR 254 N 1.87 0.00 0.26 0.02 -4.23 -0.55 -2.26 115.64 110.74 3kqu s THR 254 Ca 0.02 -1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3kqu s THR 254 Cb -0.14 -2.36 0.08 0.00 1.34 0.00 0.00 72.50 71.42 3kqu s THR 254 CO -0.07 0.00 1.72 1.23 -0.54 0.00 0.00 174.62 176.96 3kqu h GLY 255 N 2.25 0.74 0.63 3.99 0.00 -1.97 -3.25 103.07 105.46 3kqu h GLY 255 Ca -0.28 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.37 3kqu h GLY 255 CO 0.38 0.51 -0.52 -2.08 0.00 0.00 0.00 176.54 174.83 3kqu h VAL 256 N 0.62 1.50 -4.11 4.60 2.07 -2.00 -3.48 116.25 115.45 3kqu h VAL 256 Ca 0.11 -2.15 -0.15 0.00 0.82 0.00 0.00 66.70 65.32 3kqu h VAL 256 Cb 0.58 2.81 -0.17 0.00 -1.52 0.00 0.00 31.29 33.00 3kqu h VAL 256 CO 0.04 0.61 -0.69 -0.60 0.02 0.00 0.00 177.57 176.95 3kqu s ARG 257 N -2.97 0.56 -0.03 1.57 3.52 -1.23 -5.15 118.95 115.22 3kqu s ARG 257 Ca -0.14 -1.06 -0.00 0.00 -0.13 0.00 0.00 55.73 54.40 3kqu s ARG 257 Cb 0.02 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.55 3kqu s ARG 257 CO 0.80 -0.08 0.03 0.99 -0.81 0.00 0.00 175.30 176.23 3kqu s THR 258 N -3.14 -0.02 -0.20 4.11 2.01 -1.26 -1.48 115.64 115.65 3kqu s THR 258 Ca 0.01 0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 3kqu s THR 258 Cb 0.02 -0.13 0.06 0.00 0.01 0.00 0.00 72.50 72.46 3kqu s THR 258 CO -0.07 0.12 0.04 -0.63 -0.69 0.00 0.00 174.62 173.39 3kqu s ILE 259 N 1.27 0.52 -0.46 1.82 1.01 0.39 -4.95 121.20 120.80 3kqu s ILE 259 Ca -0.06 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 3kqu s ILE 259 Cb -0.13 -1.04 0.08 0.00 0.01 0.00 0.00 42.46 41.39 3kqu s ILE 259 CO -0.03 -0.22 0.36 -0.89 0.00 0.00 0.00 174.94 174.16 3kqu s THR 260 N 1.86 4.84 -0.18 2.92 2.01 -1.26 -1.05 115.64 124.78 3kqu s THR 260 Ca -0.01 -1.26 0.18 0.00 0.31 0.00 0.00 61.69 60.91 3kqu s THR 260 Cb -0.17 -3.95 -0.25 0.00 0.01 0.00 0.00 72.50 68.14 3kqu s THR 260 CO -0.08 -0.59 0.14 0.35 -0.69 0.00 0.00 174.62 173.75 3kqu n THR 261 N 5.10 1.31 -0.03 -0.82 -2.24 -1.26 -4.99 114.28 111.34 3kqu n THR 261 Ca -0.12 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3kqu n THR 261 Cb 0.43 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 1.70 0.87 3.68 3.38 0.00 -1.26 -5.07 105.19 108.50 3kqu n GLY 262 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.02 1.33 -2.00 4.61 0.00 -1.26 -4.92 121.76 117.50 3kqu s ALA 263 Ca 0.00 0.12 0.27 0.00 0.00 0.00 0.00 51.96 52.35 3kqu s ALA 263 Cb 0.00 -3.27 1.61 0.00 0.00 0.00 0.00 23.12 21.46 3kqu s ALA 263 CO 0.00 -2.58 1.96 -0.35 0.00 0.00 0.00 175.76 174.79 3kqu n PRO 264 N -4.06 0.86 -5.07 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 1.76 -0.06 0.52 1.01 -1.26 -0.01 121.20 121.16 3kqu s ILE 265 Ca 0.40 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3kqu s ILE 265 Cb 0.19 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 41.18 3kqu s ILE 265 CO 0.31 0.50 -0.10 -0.89 0.00 0.00 0.00 174.94 174.76 3kqu s THR 266 N -0.13 0.96 -0.16 2.92 2.01 0.20 -1.56 115.64 119.89 3kqu s THR 266 Ca -0.02 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 3kqu s THR 266 Cb -0.12 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 3kqu s THR 266 CO 0.02 0.32 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.94 3kqu s TYR 267 N 0.79 3.05 0.02 4.92 1.51 -0.04 0.43 117.35 128.02 3kqu s TYR 267 Ca -0.13 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 3kqu s TYR 267 Cb -0.15 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 3kqu s TYR 267 CO 0.02 -0.00 0.19 0.45 -1.11 0.00 0.00 175.55 175.10 3kqu s SER 268 N 0.32 0.00 0.53 2.29 0.15 -0.12 -1.06 113.70 115.82 3kqu s SER 268 Ca -0.03 -0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 3kqu s SER 268 Cb -0.14 0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.38 3kqu s SER 268 CO 0.03 -0.47 0.90 0.42 1.20 0.00 0.00 173.24 175.32 3kqu s THR 269 N -1.94 4.77 0.22 6.45 -4.23 -0.96 -0.62 115.64 119.33 3kqu s THR 269 Ca -0.10 0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 60.98 3kqu s THR 269 Cb -0.04 -3.83 0.16 0.00 1.34 0.00 0.00 72.50 70.13 3kqu s THR 269 CO -0.01 -0.90 1.79 1.88 -0.54 0.00 0.00 174.62 176.84 3kqu h TYR 270 N 0.24 1.22 -0.23 3.99 0.05 -1.74 -1.13 116.97 119.38 3kqu h TYR 270 Ca -0.46 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.26 3kqu h TYR 270 Cb 1.19 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 3kqu h TYR 270 CO 0.62 0.92 0.04 0.78 -1.05 0.00 0.00 178.16 179.47 3kqu h GLY 271 N 1.18 0.25 1.56 3.88 0.00 -1.86 -0.40 103.07 107.67 3kqu h GLY 271 Ca 0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3kqu h GLY 271 CO -0.02 -0.01 -0.12 1.70 0.00 0.00 0.00 176.54 178.09 3kqu h LYS 272 N 0.13 0.54 -0.36 4.80 1.63 -1.83 -1.47 116.57 120.00 3kqu h LYS 272 Ca 0.11 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3kqu h LYS 272 Cb 0.11 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3kqu h LYS 272 CO -0.14 0.65 0.21 0.35 -3.45 0.00 0.00 179.45 177.06 3kqu h PHE 273 N 0.49 0.49 -0.41 1.91 3.57 -0.40 -2.16 116.94 120.44 3kqu h PHE 273 Ca 0.09 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 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 0.37 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.33 3kqu h LEU 274 N 0.47 0.78 -0.91 0.59 3.38 -0.82 -2.31 115.31 116.48 3kqu h LEU 274 Ca 0.13 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kqu h LEU 274 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kqu h LEU 274 CO -0.02 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.46 3kqu n ALA 275 N -2.44 1.41 0.84 1.53 0.00 -0.58 -1.77 120.51 119.50 3kqu n ALA 275 Ca -0.01 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3kqu n ALA 275 Cb 0.35 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.18 2.63 0.00 0.00 8.00 -0.83 -4.94 116.55 119.24 3kqu n ASP 276 Ca 0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.65 3kqu n ASP 276 Cb 0.15 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.33 0.59 3.35 0.44 0.00 -0.73 -4.95 105.19 105.22 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 -2.01 0.33 3.77 -0.02 0.00 -0.90 -4.94 105.19 101.42 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 -0.83 6.25 -0.07 0.00 0.01 -1.26 -5.04 113.70 112.77 3kqu s SER 280 Ca 0.52 0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.80 3kqu s SER 280 Cb -0.35 -1.94 -0.07 0.00 0.21 0.00 0.00 66.02 63.87 3kqu s SER 280 CO 0.45 0.27 1.96 -0.83 0.41 0.00 0.00 173.24 175.50 3kqu s GLY 281 N -1.86 1.19 -1.34 3.44 0.00 -1.26 -2.54 107.32 104.96 3kqu s GLY 281 Ca 0.26 1.05 -0.06 0.00 0.00 0.00 0.00 44.72 45.97 3kqu s GLY 281 CO 0.17 3.46 0.41 0.61 0.00 0.00 0.00 173.10 177.75 3kqu n GLY 282 N 4.83 -0.50 0.10 0.20 0.00 0.10 -4.87 105.19 105.05 3kqu n GLY 282 Ca 0.22 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 0.24 -2.75 4.61 0.00 -1.70 -3.48 119.26 117.18 3kqu h ALA 283 Ca -0.44 -1.00 -0.15 0.00 0.00 0.00 0.00 54.91 53.32 3kqu h ALA 283 Cb 1.30 0.11 -0.19 0.00 0.00 0.00 0.00 17.79 19.00 3kqu h ALA 283 CO 0.51 1.11 -0.61 0.71 0.00 0.00 0.00 179.25 180.97 3kqu s TYR 284 N -2.65 0.23 -0.11 0.00 1.51 -1.26 -4.93 117.35 110.14 3kqu s TYR 284 Ca -0.05 -0.50 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 3kqu s TYR 284 Cb 0.07 -0.17 -0.24 0.00 -0.11 0.00 0.00 41.96 41.51 3kqu s TYR 284 CO 0.86 -0.28 0.42 -0.25 -1.11 0.00 0.00 175.55 175.19 3kqu n ASP 285 N 1.18 1.39 -4.06 2.29 10.43 -0.35 -3.97 116.55 123.45 3kqu n ASP 285 Ca -0.21 0.25 -0.22 0.00 2.57 0.00 0.00 54.79 57.17 3kqu n ASP 285 Cb 0.57 -0.32 -0.15 0.00 1.84 0.00 0.00 41.12 43.06 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 -2.57 1.03 -0.15 0.53 1.01 -0.82 -0.36 121.20 119.88 3kqu s ILE 286 Ca -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3kqu s ILE 286 Cb 0.07 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.67 3kqu s ILE 286 CO 0.79 0.30 -0.18 -0.63 0.00 0.00 0.00 174.94 175.22 3kqu s ILE 287 N -0.00 1.83 -0.34 2.92 1.01 -0.33 -1.32 121.20 124.96 3kqu s ILE 287 Ca -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3kqu s ILE 287 Cb -0.08 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.76 3kqu s ILE 287 CO 0.01 0.50 0.15 -0.63 0.00 0.00 0.00 174.94 174.97 3kqu s ILE 288 N 1.14 4.22 -0.93 2.92 1.01 0.43 -0.32 121.20 129.67 3kqu s ILE 288 Ca -0.01 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 3kqu s ILE 288 Cb -0.14 -3.32 0.09 0.00 0.01 0.00 0.00 42.46 39.10 3kqu s ILE 288 CO -0.07 -0.14 1.25 0.00 0.00 0.00 0.00 174.94 175.98 3kqu s ASP 290 N 4.19 5.76 -1.57 0.00 3.68 -0.32 -1.38 116.67 127.03 3kqu s ASP 290 Ca 0.37 1.79 -0.09 0.00 2.13 0.00 0.00 52.55 56.75 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 -0.07 -1.18 0.56 -0.62 0.13 0.00 0.00 175.17 173.99 3kqu n GLU 291 N -2.13 -3.02 0.00 4.34 -0.58 -0.18 -4.61 120.64 114.46 3kqu n GLU 291 Ca 0.09 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 3kqu n GLU 291 Cb 0.53 -4.72 0.00 0.00 -0.57 0.00 0.00 31.44 26.67 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 0.31 0.00 -1.73 0.00 1.44 -1.26 -4.73 115.22 109.25 3kqu n HIS 293 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3kqu n HIS 293 Cb 0.11 -0.29 -0.03 0.00 0.12 0.00 0.00 29.99 29.90 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 -3.87 6.42 -0.39 4.39 0.01 -0.58 -4.90 113.70 114.78 3kqu s SER 294 Ca -0.01 2.77 0.06 0.00 1.31 0.00 0.00 55.95 60.07 3kqu s SER 294 Cb 0.15 -2.57 0.57 0.00 0.21 0.00 0.00 66.02 64.38 3kqu s SER 294 CO 0.89 -0.99 1.69 0.35 0.41 0.00 0.00 173.24 175.58 3kqu n THR 295 N 4.60 2.91 -3.34 1.44 -2.24 -1.26 -4.49 114.28 111.90 3kqu n THR 295 Ca 0.17 -2.48 -0.32 0.00 -2.27 0.00 0.00 64.05 59.15 3kqu n THR 295 Cb 0.38 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.02 6.68 0.26 3.42 1.47 -1.26 -4.93 116.67 120.29 3kqu s ASP 296 Ca 0.52 1.03 -0.03 0.00 1.18 0.00 0.00 52.55 55.24 3kqu s ASP 296 Cb 0.45 -2.27 0.53 0.00 -0.34 0.00 0.00 42.92 41.28 3kqu s ASP 296 CO 0.04 -0.10 1.67 0.77 0.68 0.00 0.00 175.17 178.23 3kqu h SER 297 N 2.51 -0.04 -0.66 2.11 4.64 -1.92 -1.84 113.55 118.35 3kqu h SER 297 Ca -0.47 0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3kqu h SER 297 Cb 1.17 0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 3kqu h SER 297 CO 0.68 -0.09 0.44 0.74 -0.87 0.00 0.00 176.83 177.73 3kqu h THR 298 N 0.23 1.17 -0.34 2.95 2.02 -1.93 0.17 112.91 117.18 3kqu h THR 298 Ca 0.45 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 3kqu h THR 298 Cb 0.82 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3kqu h THR 298 CO -0.57 0.16 -0.03 0.74 0.37 0.00 0.00 175.52 176.19 3kqu h THR 299 N 0.90 1.27 0.02 3.16 2.02 -1.70 0.14 112.91 118.71 3kqu h THR 299 Ca 0.24 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3kqu h THR 299 Cb -0.10 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3kqu h THR 299 CO -0.05 0.34 -0.01 0.40 0.37 0.00 0.00 175.52 176.57 3kqu h ILE 300 N 0.42 1.00 -0.94 3.11 1.08 -1.07 0.68 117.51 121.78 3kqu h ILE 300 Ca 0.09 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3kqu h ILE 300 Cb 0.50 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 3kqu h ILE 300 CO 0.02 0.01 0.62 -0.07 -0.69 0.00 0.00 178.15 178.05 3kqu h LEU 301 N -0.04 1.07 0.12 1.44 3.38 -0.62 -0.94 115.31 119.72 3kqu h LEU 301 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kqu h LEU 301 Cb 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kqu h LEU 301 CO 0.00 0.77 -0.06 1.23 0.09 0.00 0.00 178.44 180.48 3kqu h GLY 302 N 1.26 -0.17 1.32 0.83 0.00 -0.34 -1.37 103.07 104.60 3kqu h GLY 302 Ca 0.35 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 3kqu h GLY 302 CO -0.08 -0.06 0.20 -2.22 0.00 0.00 0.00 176.54 174.38 3kqu h ILE 303 N -0.45 1.22 -0.50 2.60 2.04 -0.77 -1.10 117.51 120.55 3kqu h ILE 303 Ca -0.02 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3kqu h ILE 303 Cb 0.36 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3kqu h ILE 303 CO 0.03 0.28 0.23 1.23 0.00 0.00 0.00 178.15 179.92 3kqu h GLY 304 N 0.98 0.79 0.70 5.37 0.00 -1.11 -0.12 103.07 109.67 3kqu h GLY 304 Ca 0.20 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.16 3kqu h GLY 304 CO -0.01 0.38 -0.03 -0.84 0.00 0.00 0.00 176.54 176.03 3kqu h THR 305 N 0.67 0.85 0.13 4.70 2.02 -0.72 -1.70 112.91 118.86 3kqu h THR 305 Ca 0.17 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3kqu h THR 305 Cb 0.14 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3kqu h THR 305 CO -0.02 0.00 -0.15 0.58 0.37 0.00 0.00 175.52 176.31 3kqu h VAL 306 N 0.00 0.67 0.00 3.16 2.07 -0.78 -0.92 116.25 120.45 3kqu h VAL 306 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3kqu h VAL 306 Cb 0.11 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3kqu h VAL 306 CO -0.15 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.62 3kqu n LEU 307 N -5.27 0.00 -0.01 2.57 4.77 -0.10 -0.81 117.00 118.16 3kqu n LEU 307 Ca -0.07 0.48 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 3kqu n LEU 307 Cb 0.19 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 3kqu n LEU 307 CO 0.30 -0.44 -0.68 -0.67 -1.33 0.00 0.00 177.39 174.57 3kqu n ASP 308 N -1.48 1.46 -0.00 -1.43 2.03 -0.47 -4.69 116.55 111.97 3kqu n ASP 308 Ca 0.01 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3kqu n ASP 308 Cb 0.03 1.71 -0.00 0.00 -0.72 0.00 0.00 41.12 42.13 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 -2.04 2.41 -0.09 -0.67 6.02 -0.48 -4.83 117.38 117.71 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 0.40 -0.84 -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 0.06 -0.70 0.04 -1.58 0.00 -1.18 0.23 119.26 116.13 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 0.02 1.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3kqu h ALA 310 CO 0.00 -0.89 -0.11 1.49 0.00 0.00 0.00 179.25 179.74 3kqu h GLU 311 N -0.34 -0.20 -0.51 0.00 4.81 -1.84 -1.47 114.58 115.04 3kqu h GLU 311 Ca 0.05 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 3kqu h GLU 311 Cb 0.47 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3kqu h GLU 311 CO -0.43 -0.13 0.35 1.15 -0.73 0.00 0.00 179.01 179.22 3kqu h THR 312 N -0.21 0.84 0.00 0.32 2.02 -1.83 0.23 112.91 114.29 3kqu h THR 312 Ca 0.03 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kqu h THR 312 Cb 0.23 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3kqu h THR 312 CO -0.08 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.85 3kqu n ALA 313 N -2.57 2.22 -0.07 6.16 0.00 0.80 -4.90 120.51 122.16 3kqu n ALA 313 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kqu n ALA 313 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.18 0.96 3.79 0.00 0.00 0.81 0.02 105.19 111.94 3kqu n GLY 314 Ca 0.07 -0.03 -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 3.36 -0.13 4.61 0.00 -0.64 -4.76 121.76 122.20 3kqu s ALA 315 Ca 0.00 0.36 0.18 0.00 0.00 0.00 0.00 51.96 52.51 3kqu s ALA 315 Cb 0.00 -3.00 -0.24 0.00 0.00 0.00 0.00 23.12 19.88 3kqu s ALA 315 CO 0.00 0.26 0.40 0.54 0.00 0.00 0.00 175.76 176.97 3kqu n ARG 316 N 1.00 0.66 -3.72 0.00 1.74 0.52 -4.40 116.66 112.45 3kqu n ARG 316 Ca -0.02 0.02 -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 30.16 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 0.59 -0.15 0.55 2.96 -0.94 -2.24 118.68 114.08 3kqu s LEU 317 Ca -0.07 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3kqu s LEU 317 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 3kqu s LEU 317 CO 0.84 -0.19 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.93 3kqu s VAL 318 N 1.62 3.69 -0.12 1.68 1.01 -0.69 -1.19 120.40 126.40 3kqu s VAL 318 Ca -0.02 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kqu s VAL 318 Cb -0.12 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3kqu s VAL 318 CO -0.03 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.69 3kqu s VAL 319 N 0.33 2.47 -0.49 2.92 1.01 0.56 -1.05 120.40 126.16 3kqu s VAL 319 Ca -0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 3kqu s VAL 319 Cb -0.15 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.35 3kqu s VAL 319 CO 0.04 0.54 0.40 -0.76 0.00 0.00 0.00 175.10 175.32 3kqu s LEU 320 N 0.42 5.79 -0.04 3.92 1.43 -0.28 0.14 118.68 130.06 3kqu s LEU 320 Ca -0.14 -1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 51.24 3kqu s LEU 320 Cb -0.17 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3kqu s LEU 320 CO 0.06 -0.73 0.02 0.00 0.23 0.00 0.00 176.35 175.94 3kqu s ALA 321 N 1.51 3.36 -0.15 4.21 0.00 -0.48 -1.72 121.76 128.49 3kqu s ALA 321 Ca 0.04 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 50.82 3kqu s ALA 321 Cb -0.27 -1.47 0.13 0.00 0.00 0.00 0.00 23.12 21.52 3kqu s ALA 321 CO 0.02 0.63 1.10 -0.08 0.00 0.00 0.00 175.76 177.43 3kqu s THR 322 N -1.01 0.00 -1.43 0.00 -1.32 -0.92 -1.01 115.64 109.95 3kqu s THR 322 Ca 0.17 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.88 3kqu s THR 322 Cb -0.12 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.81 3kqu s THR 322 CO 0.07 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.60 3kqu n ALA 323 N 0.08 4.00 -3.49 11.08 0.00 -1.25 -3.11 120.51 127.83 3kqu n ALA 323 Ca -0.04 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 3kqu n ALA 323 Cb 0.59 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.92 -0.41 -1.39 0.00 -2.24 -1.26 -4.74 114.28 103.33 3kqu n THR 324 Ca 0.07 -3.86 -0.35 0.00 -2.27 0.00 0.00 64.05 57.64 3kqu n THR 324 Cb 0.38 -1.82 0.10 0.00 -2.10 0.00 0.00 70.33 66.89 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 -0.49 2.03 0.00 -0.78 0.04 -1.26 -4.77 135.00 129.78 3kqu s PRO 325 Ca 0.32 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.23 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 -1.94 0.30 -2.30 0.04 0.00 0.00 177.00 172.91 3kqu n PRO 326 N -2.71 0.00 -2.91 0.56 -0.02 -1.26 -2.30 135.00 126.35 3kqu n PRO 326 Ca 0.14 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 3kqu n PRO 326 Cb 0.50 -0.45 0.01 0.00 -0.02 0.00 0.00 33.50 33.53 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 -0.95 5.10 3.13 -1.23 0.00 -1.26 -2.15 105.19 107.83 3kqu n GLY 327 Ca 0.00 -2.58 -0.20 0.00 0.00 0.00 0.00 46.02 43.24 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 -1.34 1.57 0.21 1.61 1.04 -0.97 -5.09 113.70 110.73 3kqu s SER 328 Ca 0.32 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 3kqu s SER 328 Cb 0.05 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 3kqu s SER 328 CO 0.09 0.02 0.40 0.54 0.98 0.00 0.00 173.24 175.27 3kqu s VAL 329 N -0.83 5.20 0.08 5.02 0.11 -1.26 -4.73 120.40 123.98 3kqu s VAL 329 Ca 0.01 -0.38 -0.31 0.00 -2.93 0.00 0.00 61.98 58.37 3kqu s VAL 329 Cb -0.08 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 30.94 3kqu s VAL 329 CO 0.01 -0.20 1.71 -0.89 -3.33 0.00 0.00 175.10 172.40 3kqu s THR 330 N -1.90 2.89 0.10 5.04 2.01 -1.26 -4.99 115.64 117.53 3kqu s THR 330 Ca 0.38 0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.81 3kqu s THR 330 Cb -0.11 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3kqu s THR 330 CO 0.29 -0.00 -0.12 0.68 -0.69 0.00 0.00 174.62 174.78 3kqu s VAL 331 N 2.70 3.21 0.34 3.82 -7.23 -1.26 -5.10 120.40 116.89 3kqu s VAL 331 Ca 0.76 -1.29 -0.28 0.00 -1.81 0.00 0.00 61.98 59.36 3kqu s VAL 331 Cb -0.42 -2.48 -0.12 0.00 0.56 0.00 0.00 36.38 33.92 3kqu s VAL 331 CO 0.34 0.14 1.26 -2.65 -0.31 0.00 0.00 175.10 173.88 3kqu n PRO 332 N 0.84 2.05 -4.05 4.82 -0.02 -1.26 -4.99 135.00 132.39 3kqu n PRO 332 Ca -0.14 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 3kqu n PRO 332 Cb 0.52 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.10 3.07 0.57 6.00 2.46 -1.26 -5.01 115.29 120.01 3kqu s HIS 333 Ca 0.56 -0.38 0.27 0.00 0.47 0.00 0.00 55.06 55.99 3kqu s HIS 333 Cb -0.58 -2.09 1.51 0.00 -0.13 0.00 0.00 32.58 31.29 3kqu s HIS 333 CO 0.62 -0.19 2.00 -1.00 -2.47 0.00 0.00 174.74 173.70 3kqu h PRO 334 N 7.44 0.00 -0.02 2.88 0.13 -1.98 -2.25 132.00 138.20 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 -0.24 0.09 -0.23 0.00 0.00 178.00 178.23 3kqu n ASN 335 N -3.99 2.09 -4.17 1.44 5.03 -1.26 -4.92 115.26 109.48 3kqu n ASN 335 Ca 0.06 -1.56 -0.34 0.00 0.87 0.00 0.00 54.58 53.62 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 -2.28 2.51 -0.10 2.41 1.01 -0.85 0.10 121.20 124.00 3kqu s ILE 336 Ca 0.25 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 3kqu s ILE 336 Cb 0.19 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3kqu s ILE 336 CO 0.46 0.38 0.63 -0.70 0.00 0.00 0.00 174.94 175.70 3kqu s GLU 337 N 1.31 4.38 -0.39 2.79 2.12 -0.08 -4.68 118.70 124.14 3kqu s GLU 337 Ca 0.03 0.73 -0.13 0.00 0.36 0.00 0.00 54.97 55.96 3kqu s GLU 337 Cb -0.15 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.81 3kqu s GLU 337 CO -0.08 0.05 0.25 -1.21 -0.54 0.00 0.00 175.26 173.72 3kqu s GLU 338 N 0.91 2.87 -0.23 4.30 2.02 -1.26 -0.20 118.70 127.11 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 -3.84 0.03 0.00 0.10 0.00 0.00 34.13 30.25 3kqu s GLU 338 CO 0.15 -0.75 -0.10 0.08 0.02 0.00 0.00 175.26 174.66 3kqu s VAL 339 N 1.60 2.63 0.70 2.63 1.01 0.65 -4.97 120.40 124.64 3kqu s VAL 339 Ca 0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 3kqu s VAL 339 Cb -0.20 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3kqu s VAL 339 CO 0.08 0.28 1.16 0.00 0.00 0.00 0.00 175.10 176.62 3kqu s ALA 340 N 1.30 2.28 0.33 5.51 0.00 -1.26 -3.26 121.76 126.65 3kqu s ALA 340 Ca 0.01 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 3kqu s ALA 340 Cb -0.16 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3kqu s ALA 340 CO -0.07 -1.60 0.57 -0.51 0.00 0.00 0.00 175.76 174.15 3kqu s LEU 341 N -4.99 4.00 0.00 0.00 1.43 -0.47 -4.81 118.68 113.84 3kqu s LEU 341 Ca 0.71 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3kqu s LEU 341 Cb -0.25 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3kqu s LEU 341 CO 0.43 -0.27 0.00 -1.54 0.23 0.00 0.00 176.35 175.20 3kqu n SER 342 N -1.41 1.82 -0.01 2.29 3.41 -1.26 -4.92 113.62 113.54 3kqu n SER 342 Ca -0.03 -0.45 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 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 -0.53 0.46 -4.70 4.04 3.41 -1.26 -0.93 113.62 114.11 3kqu n SER 343 Ca 0.00 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.99 3kqu n SER 343 Cb 0.00 0.15 -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 -2.97 4.83 0.00 6.66 2.01 -1.26 -4.60 115.64 120.32 3kqu s THR 344 Ca 0.12 2.04 0.00 0.00 0.31 0.00 0.00 61.69 64.16 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 0.67 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 3kqu n GLY 345 N 3.01 4.09 0.09 4.40 0.00 -1.26 -4.23 105.19 111.28 3kqu n GLY 345 Ca 0.07 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.79 1.61 9.09 -1.91 -3.44 114.58 115.14 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 -3.15 4.16 0.37 -1.06 1.01 -1.09 -4.98 121.20 116.46 3kqu s ILE 347 Ca 0.07 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 3kqu s ILE 347 Cb 0.13 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 3kqu s ILE 347 CO 0.68 0.06 1.32 -2.84 0.00 0.00 0.00 174.94 174.16 3kqu s PRO 348 N 1.53 4.16 -0.28 2.79 0.02 -1.26 -0.23 135.00 141.73 3kqu s PRO 348 Ca 0.03 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.28 3kqu s PRO 348 Cb -0.17 -2.91 0.17 0.00 0.02 0.00 0.00 34.50 31.60 3kqu s PRO 348 CO 0.04 -0.35 0.48 0.12 -0.33 0.00 0.00 177.00 176.95 3kqu s PHE 349 N -1.20 -1.29 -1.61 6.54 5.36 0.02 -4.82 117.98 120.99 3kqu s PHE 349 Ca 0.53 0.81 -0.07 0.00 -0.96 0.00 0.00 56.93 57.24 3kqu s PHE 349 Cb -0.39 0.10 0.07 0.00 -0.34 0.00 0.00 43.02 42.46 3kqu s PHE 349 CO 0.52 -0.95 0.32 0.66 -1.46 0.00 0.00 175.22 174.31 3kqu n TYR 350 N 5.38 -1.40 0.00 10.12 4.02 -1.26 -0.18 117.16 133.85 3kqu n TYR 350 Ca 0.01 0.68 0.00 0.00 -0.01 0.00 0.00 57.90 58.58 3kqu n TYR 350 Cb 0.51 -2.85 0.00 0.00 -0.02 0.00 0.00 39.34 36.98 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 -1.98 3.06 0.00 2.72 0.00 -1.26 -5.00 105.19 102.73 3kqu n GLY 351 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.66 3.54 -3.77 1.61 4.01 0.75 -4.92 118.16 118.72 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 -0.07 0.00 -0.51 0.00 0.00 35.03 34.45 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 -0.62 -0.19 7.82 0.00 -0.11 -0.80 121.76 125.70 3kqu s ALA 353 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 3kqu s ALA 353 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3kqu s ALA 353 CO 0.00 -0.42 -0.10 0.42 0.00 0.00 0.00 175.76 175.67 3kqu s ILE 354 N -2.65 3.04 0.02 0.00 1.01 0.69 -4.29 121.20 119.02 3kqu s ILE 354 Ca -0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 3kqu s ILE 354 Cb -0.01 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3kqu s ILE 354 CO -0.04 0.48 1.14 -2.84 0.00 0.00 0.00 174.94 173.67 3kqu s PRO 355 N 1.09 4.45 0.24 2.79 0.02 -1.26 -2.68 135.00 139.66 3kqu s PRO 355 Ca 0.00 1.65 -0.04 0.00 0.02 0.00 0.00 61.00 62.64 3kqu s PRO 355 Cb -0.15 -3.42 0.43 0.00 0.02 0.00 0.00 34.50 31.38 3kqu s PRO 355 CO -0.02 -0.24 1.78 0.82 -0.33 0.00 0.00 177.00 179.00 3kqu h ILE 356 N 4.69 0.80 0.00 2.83 2.04 -1.96 0.56 117.51 126.48 3kqu h ILE 356 Ca -0.40 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3kqu h ILE 356 Cb 1.20 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3kqu h ILE 356 CO 0.81 0.12 0.00 -1.84 0.00 0.00 0.00 178.15 177.24 3kqu n GLU 357 N -4.85 0.03 0.12 2.37 0.00 -1.26 -1.05 120.64 116.00 3kqu n GLU 357 Ca 0.14 0.35 0.12 0.00 0.00 0.00 0.00 57.16 57.77 3kqu n GLU 357 Cb 0.34 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.48 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 -1.27 -3.35 112.91 113.16 3kqu h THR 358 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 3kqu h THR 358 Cb 0.05 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 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 -2.52 0.22 -2.68 0.00 -5.35 -0.21 -4.99 119.36 103.83 3kqu n ILE 359 Ca 0.03 -0.28 -0.42 0.00 -0.27 0.00 0.00 62.75 61.81 3kqu n ILE 359 Cb 0.48 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.27 -4.71 119.74 126.40 3kqu s LYS 360 Ca 0.00 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 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 -2.04 0.00 0.41 -0.36 0.00 0.00 175.35 173.36 3kqu n GLY 361 N 5.90 2.11 0.08 5.54 0.00 -1.26 -4.96 105.19 112.60 3kqu n GLY 361 Ca 0.15 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 2.12 -3.93 3.48 -0.02 0.00 -1.26 -4.95 105.19 100.63 3kqu n GLY 362 Ca 0.00 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.92 3.65 0.02 1.61 0.52 -1.26 -1.68 118.95 120.88 3kqu s ARG 363 Ca 0.00 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3kqu s ARG 363 Cb 0.00 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 3kqu s ARG 363 CO 0.00 0.18 -0.03 -1.01 0.02 0.00 0.00 175.30 174.46 3kqu s HIS 364 N 0.52 0.28 -0.15 -0.53 3.76 -0.06 0.53 115.29 119.65 3kqu s HIS 364 Ca -0.03 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 3kqu s HIS 364 Cb -0.14 -0.19 0.01 0.00 1.11 0.00 0.00 32.58 33.37 3kqu s HIS 364 CO 0.03 -0.10 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.44 3kqu s LEU 365 N -0.95 2.15 -0.22 0.89 2.96 -0.88 -0.85 118.68 121.78 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 -0.07 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.17 3kqu s LEU 365 CO -0.00 0.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.38 3kqu s ILE 366 N 0.89 2.91 -0.12 6.68 1.01 0.20 -1.34 121.20 131.44 3kqu s ILE 366 Ca -0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 3kqu s ILE 366 Cb -0.15 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3kqu s ILE 366 CO -0.03 0.39 0.71 -0.36 0.00 0.00 0.00 174.94 175.64 3kqu s PHE 367 N 1.39 3.49 -0.04 3.97 0.40 0.26 -0.91 117.98 126.54 3kqu s PHE 367 Ca 0.04 1.16 0.04 0.00 -0.60 0.00 0.00 56.93 57.57 3kqu s PHE 367 Cb -0.15 -2.84 -0.00 0.00 0.51 0.00 0.00 43.02 40.54 3kqu s PHE 367 CO -0.06 -0.05 -0.17 0.00 0.70 0.00 0.00 175.22 175.64 3kqu h HIS 369 N 6.21 0.00 -4.13 0.00 2.07 -1.86 -3.36 115.15 114.09 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 -0.68 -1.54 -3.07 0.00 0.00 177.93 173.08 3kqu s SER 370 N -5.07 0.39 0.33 3.10 1.04 -1.26 -4.53 113.70 107.70 3kqu s SER 370 Ca -0.04 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.62 3kqu s SER 370 Cb 0.12 0.17 0.57 0.00 0.10 0.00 0.00 66.02 66.98 3kqu s SER 370 CO 0.40 -0.49 1.88 0.11 0.98 0.00 0.00 173.24 176.12 3kqu h LYS 371 N 3.68 0.62 -0.21 4.02 1.57 -1.98 -2.27 116.57 122.00 3kqu h LYS 371 Ca -0.33 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3kqu h LYS 371 Cb 1.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3kqu h LYS 371 CO 0.57 0.59 0.01 -0.22 -0.57 0.00 0.00 179.45 179.82 3kqu h LYS 372 N 0.60 0.08 -0.23 3.15 3.64 -1.98 -0.55 116.57 121.27 3kqu h LYS 372 Ca 0.13 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3kqu h LYS 372 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3kqu h LYS 372 CO 0.00 0.05 -0.33 0.87 -2.27 0.00 0.00 179.45 177.78 3kqu h LYS 373 N 0.08 0.49 -0.82 1.90 1.57 -1.90 -2.26 116.57 115.63 3kqu h LYS 373 Ca 0.10 -0.21 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3kqu h LYS 373 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 3kqu h LYS 373 CO -0.16 0.76 0.49 0.00 -0.57 0.00 0.00 179.45 179.97 3kqu h ASP 375 N 0.88 -0.05 0.15 0.00 3.45 -0.81 -1.72 116.42 118.32 3kqu h ASP 375 Ca 0.37 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 3kqu h ASP 375 Cb 0.24 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3kqu h ASP 375 CO -0.20 0.23 -0.07 -0.33 -1.57 0.00 0.00 179.24 177.30 3kqu h GLU 376 N -0.33 -0.20 0.08 3.56 5.08 -1.05 -1.59 114.58 120.14 3kqu h GLU 376 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3kqu h GLU 376 Cb 0.30 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3kqu h GLU 376 CO 0.01 -0.08 -0.16 1.25 -1.00 0.00 0.00 179.01 179.03 3kqu h LEU 377 N -0.27 -0.45 -0.86 1.33 6.46 -0.89 0.32 115.31 120.95 3kqu h LEU 377 Ca -0.02 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 57.94 3kqu h LEU 377 Cb 0.21 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 3kqu h LEU 377 CO 0.03 -0.23 0.45 0.00 -0.62 0.00 0.00 178.44 178.07 3kqu h ALA 378 N 0.55 1.31 0.48 1.25 0.00 -1.26 0.12 119.26 121.71 3kqu h ALA 378 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kqu h ALA 378 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kqu h ALA 378 CO -0.10 -0.08 -0.23 0.00 0.00 0.00 0.00 179.25 178.84 3kqu h ALA 379 N 1.56 -0.64 -0.79 0.00 0.00 -0.37 0.66 119.26 119.69 3kqu h ALA 379 Ca 0.47 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.39 3kqu h ALA 379 Cb 0.67 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 3kqu h ALA 379 CO -0.36 -0.77 0.06 -0.22 0.00 0.00 0.00 179.25 177.95 3kqu h LYS 380 N -0.81 0.13 -0.29 0.00 1.63 0.74 0.79 116.57 118.76 3kqu h LYS 380 Ca -0.07 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 3kqu h LYS 380 Cb 0.57 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3kqu h LYS 380 CO 0.11 0.08 -0.26 -0.07 -3.45 0.00 0.00 179.45 175.86 3kqu h LEU 381 N 0.13 0.72 -1.07 5.20 3.38 -0.59 -3.07 115.31 120.01 3kqu h LEU 381 Ca 0.45 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kqu h LEU 381 Cb 0.82 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3kqu h LEU 381 CO -0.67 1.03 0.43 0.28 0.09 0.00 0.00 178.44 179.60 3kqu h SER 382 N 0.42 0.96 0.00 -0.43 0.02 0.52 -1.42 113.55 113.62 3kqu h SER 382 Ca 0.05 -0.08 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 63.11 3kqu h SER 382 CO 0.07 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 3kqu n GLY 383 N -1.19 1.88 0.00 -3.77 0.00 0.14 -2.04 105.19 100.21 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 0.91 0.00 0.00 0.99 4.32 -0.54 -5.00 117.00 117.67 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 0.30 1.23 3.85 -0.72 0.00 -0.86 -5.11 105.19 103.89 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 53.18 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 1.60 0.21 0.23 0.00 0.00 176.35 178.68 3kqu s ASN 387 N -1.72 6.68 0.07 2.29 2.47 -1.26 -4.09 114.94 119.37 3kqu s ASN 387 Ca 0.24 -1.98 0.03 0.00 0.42 0.00 0.00 52.86 51.57 3kqu s ASN 387 Cb -0.12 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 3kqu s ASN 387 CO 0.15 -1.33 0.06 0.00 -3.72 0.00 0.00 177.10 172.26 3kqu s ALA 388 N 4.56 3.49 -0.06 1.71 0.00 -1.26 -1.44 121.76 128.77 3kqu s ALA 388 Ca 0.50 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 3kqu s ALA 388 Cb 0.02 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3kqu s ALA 388 CO -0.01 0.73 0.28 0.14 0.00 0.00 0.00 175.76 176.90 3kqu s VAL 389 N -1.33 0.03 0.07 0.00 -7.23 -0.26 -4.86 120.40 106.83 3kqu s VAL 389 Ca 0.27 -0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 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 0.10 0.00 -0.31 0.00 0.00 175.10 174.93 3kqu s ALA 390 N -0.65 3.64 -0.12 1.32 0.00 -1.26 -0.67 121.76 124.02 3kqu s ALA 390 Ca -0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 3kqu s ALA 390 Cb -0.04 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3kqu s ALA 390 CO 0.02 0.76 0.29 -0.47 0.00 0.00 0.00 175.76 176.36 3kqu s TYR 391 N -1.39 -0.37 0.24 0.00 6.14 -0.27 -4.90 117.35 116.80 3kqu s TYR 391 Ca 0.30 0.86 -0.21 0.00 0.64 0.00 0.00 57.07 58.65 3kqu s TYR 391 Cb -0.12 0.11 0.05 0.00 0.42 0.00 0.00 41.96 42.42 3kqu s TYR 391 CO 0.22 -0.21 0.89 1.52 0.64 0.00 0.00 175.55 178.61 3kqu s TYR 392 N 0.76 -0.04 -0.13 4.97 1.13 -1.26 -2.89 117.35 119.89 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 0.71 -0.13 0.00 -1.10 0.00 0.00 41.96 41.38 3kqu s TYR 392 CO -0.05 -1.10 1.83 -2.13 -2.51 0.00 0.00 175.55 171.58 3kqu n ARG 393 N -0.53 1.88 0.00 -3.49 0.63 -1.26 -1.50 116.66 112.38 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 4.29 1.43 3.96 5.14 0.00 -1.26 -5.10 105.19 113.66 3kqu n GLY 394 Ca 0.23 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 2.89 -0.22 0.99 1.43 -0.57 -5.06 118.68 118.14 3kqu s LEU 395 Ca 0.00 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 3kqu s LEU 395 Cb 0.00 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3kqu s LEU 395 CO 0.00 -1.98 0.15 -0.62 0.23 0.00 0.00 176.35 174.13 3kqu s ASP 396 N -4.70 6.18 0.59 2.29 2.15 -1.26 -4.90 116.67 117.01 3kqu s ASP 396 Ca 0.66 0.19 0.20 0.00 0.43 0.00 0.00 52.55 54.03 3kqu s ASP 396 Cb -0.07 -2.10 1.06 0.00 -0.30 0.00 0.00 42.92 41.52 3kqu s ASP 396 CO 0.46 0.13 1.57 0.58 -0.17 0.00 0.00 175.17 177.74 3kqu h VAL 397 N 4.82 0.00 0.00 1.11 2.07 -1.97 -0.25 116.25 122.03 3kqu h VAL 397 Ca -0.40 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3kqu h VAL 397 Cb 1.16 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3kqu h VAL 397 CO 0.72 0.00 -0.04 0.28 0.02 0.00 0.00 177.57 178.55 3kqu h SER 398 N 0.00 0.00 0.02 0.57 0.02 -2.03 -2.69 113.55 109.44 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 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3kqu h SER 398 CO 0.00 0.04 0.00 -0.37 -1.14 0.00 0.00 176.83 175.36 3kqu h VAL 399 N 0.00 0.00 -3.52 2.27 -1.51 -1.44 -3.38 116.25 108.67 3kqu h VAL 399 Ca -0.00 -0.01 -0.68 0.00 -1.23 0.00 0.00 66.70 64.78 3kqu h VAL 399 Cb 0.38 0.95 -0.17 0.00 -2.13 0.00 0.00 31.29 30.32 3kqu h VAL 399 CO 0.00 0.00 -0.06 -0.63 -1.23 0.00 0.00 177.57 175.66 3kqu s ILE 400 N -4.07 4.97 0.45 7.19 1.01 -1.02 -4.98 121.20 124.75 3kqu s ILE 400 Ca -0.05 -0.21 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 3kqu s ILE 400 Cb 0.12 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 3kqu s ILE 400 CO 0.39 -0.54 1.42 -0.81 0.00 0.00 0.00 174.94 175.40 3kqu n PRO 401 N 5.91 2.20 0.20 2.79 -0.04 -1.26 -4.89 135.00 139.91 3kqu n PRO 401 Ca -0.05 0.79 0.05 0.00 -0.04 0.00 0.00 63.50 64.24 3kqu n PRO 401 Cb 0.47 -2.61 0.43 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.23 1.08 -3.64 0.52 2.02 -1.96 -3.46 112.91 109.70 3kqu h THR 402 Ca -0.51 -1.15 -0.16 0.00 0.77 0.00 0.00 66.41 65.36 3kqu h THR 402 Cb 1.27 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 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 -6.72 0.50 0.00 4.18 1.04 -1.26 -5.01 113.70 106.42 3kqu s SER 403 Ca -0.02 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.09 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 -0.54 0.04 3.77 7.32 0.00 -1.26 -4.92 105.19 109.60 3kqu n GLY 404 Ca -0.03 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.84 6.45 -0.08 1.61 1.01 -1.26 -4.69 116.67 117.86 3kqu s ASP 405 Ca 0.00 2.94 -0.30 0.00 0.71 0.00 0.00 52.55 55.90 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 -0.80 0.86 0.54 0.21 0.00 0.00 175.17 175.98 3kqu s VAL 406 N -0.91 0.00 -0.20 -1.27 0.11 -0.68 -4.83 120.40 112.62 3kqu s VAL 406 Ca 0.54 0.00 -0.01 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 0.58 0.00 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.69 3kqu s ILE 407 N -1.56 1.15 -0.22 7.04 1.01 -0.52 -0.88 121.20 127.22 3kqu s ILE 407 Ca -0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 3kqu s ILE 407 Cb -0.00 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3kqu s ILE 407 CO 0.02 -0.05 0.17 -0.69 0.00 0.00 0.00 174.94 174.39 3kqu s VAL 408 N 1.58 5.36 -0.32 2.92 1.01 -0.03 -1.10 120.40 129.83 3kqu s VAL 408 Ca -0.02 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 3kqu s VAL 408 Cb -0.17 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.73 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 0.83 3.76 0.24 2.92 1.01 0.15 0.60 120.40 129.92 3kqu s VAL 409 Ca 0.09 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3kqu s VAL 409 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3kqu s VAL 409 CO 0.03 -0.06 0.14 0.00 0.00 0.00 0.00 175.10 175.21 3kqu s ALA 410 N 1.43 1.49 0.16 5.51 0.00 -0.08 -1.12 121.76 129.14 3kqu s ALA 410 Ca -0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 3kqu s ALA 410 Cb -0.18 1.27 0.00 0.00 0.00 0.00 0.00 23.12 24.21 3kqu s ALA 410 CO 0.02 -0.55 0.00 0.25 0.00 0.00 0.00 175.76 175.48 3kqu n THR 411 N -0.40 0.00 0.36 0.00 -2.24 -1.14 -1.05 114.28 109.81 3kqu n THR 411 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kqu n THR 411 Cb 0.66 -1.16 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.63 0.00 0.21 3.42 8.00 -1.26 -2.10 116.55 122.19 3kqu n ASP 412 Ca 0.00 -0.34 0.05 0.00 0.71 0.00 0.00 54.79 55.21 3kqu n ASP 412 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.49 1.52 -0.44 2.24 0.00 -1.90 -1.98 119.26 120.19 3kqu h ALA 413 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3kqu h ALA 413 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 3kqu h ALA 413 CO 0.00 0.33 0.06 1.28 0.00 0.00 0.00 179.25 180.92 3kqu n LEU 414 N -4.17 4.55 0.10 0.00 4.77 -0.89 -4.70 117.00 116.66 3kqu n LEU 414 Ca -0.02 -3.54 -0.23 0.00 -0.03 0.00 0.00 56.01 52.19 3kqu n LEU 414 Cb 0.32 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 3kqu n LEU 414 CO 0.37 1.07 -0.08 -0.03 -1.33 0.00 0.00 177.39 177.39 3kqu h MET 415 N 1.30 0.56 -6.58 3.23 4.05 -1.53 -3.45 114.93 112.51 3kqu h MET 415 Ca 0.23 -0.80 -0.63 0.00 -0.28 0.00 0.00 59.70 58.21 3kqu h MET 415 Cb 1.82 0.28 -0.21 0.00 -0.80 0.00 0.00 31.60 32.68 3kqu h MET 415 CO 0.47 1.37 -0.85 0.95 0.23 0.00 0.00 176.91 179.08 3kqu s THR 416 N -2.84 2.06 0.00 -0.77 -4.23 -1.26 -4.05 115.64 104.55 3kqu s THR 416 Ca -0.10 -1.72 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 0.92 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.61 3kqu n GLY 417 N 0.88 0.94 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 2.95 -0.19 1.61 5.36 -1.26 -4.84 117.98 121.61 3kqu s PHE 418 Ca 0.00 1.42 0.01 0.00 -0.96 0.00 0.00 56.93 57.40 3kqu s PHE 418 Cb 0.00 -3.67 0.04 0.00 -0.34 0.00 0.00 43.02 39.05 3kqu s PHE 418 CO 0.00 -1.94 -0.13 0.99 -1.46 0.00 0.00 175.22 172.69 3kqu s THR 419 N -1.20 1.74 -0.23 0.12 2.01 -1.26 -4.82 115.64 112.00 3kqu s THR 419 Ca 0.52 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3kqu s THR 419 Cb -0.39 -1.75 0.09 0.00 0.01 0.00 0.00 72.50 70.46 3kqu s THR 419 CO 0.51 0.27 1.07 0.61 -0.69 0.00 0.00 174.62 176.38 3kqu n GLY 420 N 4.67 3.00 3.58 4.40 0.00 -1.26 -5.00 105.19 114.58 3kqu n GLY 420 Ca -0.16 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.28 -1.97 -4.78 1.61 4.64 -1.26 -4.96 116.55 109.55 3kqu n ASP 421 Ca 0.03 -0.71 -0.39 0.00 -1.38 0.00 0.00 54.79 52.34 3kqu n ASP 421 Cb 0.31 -4.60 -0.06 0.00 -1.04 0.00 0.00 41.12 35.73 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 -3.49 3.79 -0.08 -0.67 0.08 -1.26 -4.77 117.98 111.58 3kqu s PHE 422 Ca 0.06 1.38 0.17 0.00 0.12 0.00 0.00 56.93 58.66 3kqu s PHE 422 Cb -0.03 -2.65 0.31 0.00 -0.57 0.00 0.00 43.02 40.08 3kqu s PHE 422 CO 0.77 0.46 1.56 -0.44 -0.10 0.00 0.00 175.22 177.46 3kqu h ASP 423 N 4.96 0.00 -5.14 1.36 3.32 -0.29 -3.38 116.42 117.25 3kqu h ASP 423 Ca -0.47 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 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 0.41 -0.04 -0.94 -1.72 0.00 0.00 179.24 177.62 3kqu s SER 424 N -6.40 -0.17 -0.01 6.45 1.04 -1.19 -1.95 113.70 111.46 3kqu s SER 424 Ca 0.03 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.81 3kqu s SER 424 Cb 0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3kqu s SER 424 CO 0.71 -1.08 -0.03 -0.69 0.98 0.00 0.00 173.24 173.13 3kqu s VAL 425 N -3.93 0.28 -0.17 5.02 1.01 -0.20 -2.07 120.40 120.35 3kqu s VAL 425 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3kqu s VAL 425 Cb -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.12 3kqu s VAL 425 CO 0.02 0.10 -0.18 -0.63 0.00 0.00 0.00 175.10 174.41 3kqu s ILE 426 N 0.20 1.88 -0.15 2.22 1.01 -0.45 0.13 121.20 126.05 3kqu s ILE 426 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3kqu s ILE 426 Cb -0.05 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 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 3.88 0.24 3.58 2.15 0.09 -0.58 116.67 127.38 3kqu s ASP 427 Ca 0.04 -0.39 0.25 0.00 0.43 0.00 0.00 52.55 52.88 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 -0.12 0.12 1.74 0.00 -0.17 0.00 0.00 175.17 176.74 3kqu n ASN 429 N -2.25 -5.13 -4.50 0.00 5.03 -1.26 -4.65 115.26 102.50 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 -2.63 -0.10 0.00 -1.02 0.00 0.00 39.78 36.33 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 -1.30 2.77 0.08 3.41 -4.23 -1.26 -0.95 115.64 114.16 3kqu s THR 430 Ca 0.00 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 3kqu s THR 430 Cb 0.00 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 3kqu s THR 430 CO 0.00 -0.17 0.17 0.00 -0.54 0.00 0.00 174.62 174.08 3kqu s VAL 432 N -3.86 5.39 0.29 0.00 1.01 -1.26 -0.78 120.40 121.20 3kqu s VAL 432 Ca 0.05 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3kqu s VAL 432 Cb 0.05 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3kqu s VAL 432 CO -0.11 0.41 0.10 0.28 0.00 0.00 0.00 175.10 175.78 3kqu s THR 433 N 0.61 0.62 0.07 3.92 -1.32 0.01 -5.00 115.64 114.55 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 -2.62 -0.03 0.00 -1.51 0.00 0.00 72.50 68.22 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 -3.95 1.14 0.07 7.08 -0.21 -1.26 -0.90 119.66 121.63 3kqu s GLN 434 Ca 0.36 -1.01 0.03 0.00 0.02 0.00 0.00 55.36 54.76 3kqu s GLN 434 Cb 0.07 -1.29 -0.03 0.00 1.00 0.00 0.00 33.01 32.76 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 -1.01 0.71 -0.08 -0.19 2.01 0.18 -4.80 115.64 112.45 3kqu s THR 435 Ca 0.05 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.65 3kqu s THR 435 Cb -0.09 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 3kqu s THR 435 CO 0.03 -0.53 -0.19 0.54 -0.69 0.00 0.00 174.62 173.78 3kqu s VAL 436 N -2.16 2.60 -0.14 3.82 0.11 -1.26 -0.99 120.40 122.38 3kqu s VAL 436 Ca -0.01 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.20 3kqu s VAL 436 Cb -0.05 -2.02 0.02 0.00 -1.53 0.00 0.00 36.38 32.80 3kqu s VAL 436 CO -0.01 0.56 -0.18 -0.62 -3.33 0.00 0.00 175.10 171.52 3kqu s ASP 437 N -0.08 2.84 -1.31 3.54 2.15 0.20 -4.94 116.67 119.07 3kqu s ASP 437 Ca -0.04 -0.54 -0.10 0.00 0.43 0.00 0.00 52.55 52.29 3kqu s ASP 437 Cb -0.14 -1.29 0.15 0.00 -0.30 0.00 0.00 42.92 41.33 3kqu s ASP 437 CO 0.04 0.01 1.91 0.49 -0.17 0.00 0.00 175.17 177.45 3kqu n PHE 438 N 4.42 3.16 1.99 -5.34 3.72 -1.26 0.10 117.46 124.24 3kqu n PHE 438 Ca -0.19 -2.85 0.14 0.00 -0.05 0.00 0.00 57.45 54.50 3kqu n PHE 438 Cb 0.51 -2.07 0.84 0.00 -0.94 0.00 0.00 39.48 37.82 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 4.38 0.04 -4.17 4.37 3.41 -1.21 -4.94 113.62 115.50 3kqu n SER 439 Ca 0.42 -1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 57.58 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 -0.92 -0.70 -3.09 1.04 4.77 0.66 -4.88 117.00 113.88 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 0.52 -0.19 -0.90 -1.33 0.00 0.00 177.39 175.66 3kqu n ASP 441 N -2.49 0.81 0.06 -1.43 5.75 -1.26 -4.55 116.55 113.43 3kqu n ASP 441 Ca -0.26 -2.98 -0.01 0.00 -0.01 0.00 0.00 54.79 51.53 3kqu n ASP 441 Cb 0.62 -0.51 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 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 2.99 0.00 0.00 0.11 0.13 -1.90 -3.48 132.00 129.86 3kqu h PRO 442 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3kqu h PRO 442 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3kqu h PRO 442 CO 0.48 0.45 0.00 0.25 -0.23 0.00 0.00 178.00 178.96 3kqu n THR 443 N -3.05 0.00 -4.61 1.56 -2.24 -1.26 -4.83 114.28 99.85 3kqu n THR 443 Ca -0.06 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 3kqu n THR 443 Cb 0.85 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.15 2.16 -0.04 4.78 -0.12 -1.26 -0.25 117.98 124.41 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 0.22 -0.04 0.99 -0.05 0.00 0.00 175.22 176.35 3kqu s THR 445 N -2.93 0.47 -0.30 -4.49 2.01 0.28 -1.61 115.64 109.08 3kqu s THR 445 Ca 0.27 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 3kqu s THR 445 Cb 0.07 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.09 3kqu s THR 445 CO 0.13 0.20 0.07 -0.63 -0.69 0.00 0.00 174.62 173.70 3kqu s ILE 446 N 0.86 3.82 -0.09 1.82 1.01 -0.02 0.60 121.20 129.19 3kqu s ILE 446 Ca -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3kqu s ILE 446 Cb -0.14 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3kqu s ILE 446 CO -0.00 0.06 -0.13 -1.83 0.00 0.00 0.00 174.94 173.04 3kqu s GLU 447 N 1.47 2.99 -0.15 2.79 -1.05 -0.16 -4.50 118.70 120.09 3kqu s GLU 447 Ca 0.02 -0.68 -0.13 0.00 -0.15 0.00 0.00 54.97 54.02 3kqu s GLU 447 Cb -0.17 -2.53 -0.05 0.00 -0.44 0.00 0.00 34.13 30.94 3kqu s GLU 447 CO 0.02 0.41 0.29 0.99 0.95 0.00 0.00 175.26 177.91 3kqu s THR 448 N -0.16 5.30 0.07 1.83 2.01 -1.26 -0.65 115.64 122.78 3kqu s THR 448 Ca -0.00 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.56 3kqu s THR 448 Cb -0.13 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3kqu s THR 448 CO 0.03 0.42 -0.07 0.42 -0.69 0.00 0.00 174.62 174.73 3kqu s THR 449 N 0.24 0.62 -0.27 -0.82 -4.23 -0.08 -5.00 115.64 106.09 3kqu s THR 449 Ca 0.17 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 59.15 3kqu s THR 449 Cb -0.13 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 3kqu s THR 449 CO 0.04 -0.57 0.16 -0.89 -0.54 0.00 0.00 174.62 172.82 3kqu s THR 450 N -2.27 5.06 0.33 3.99 2.01 -1.26 -0.81 115.64 122.69 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 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 3kqu s THR 450 CO -0.02 0.27 0.16 0.68 -0.69 0.00 0.00 174.62 175.03 3kqu s VAL 451 N 1.71 0.38 0.31 3.82 -7.23 0.04 -4.95 120.40 114.50 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 1.25 -2.84 -0.31 0.00 0.00 175.10 173.29 3kqu s PRO 452 N -3.76 4.43 0.63 4.82 0.02 -1.26 -0.54 135.00 139.34 3kqu s PRO 452 Ca 0.34 2.11 -0.17 0.00 0.02 0.00 0.00 61.00 63.29 3kqu s PRO 452 Cb 0.04 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3kqu s PRO 452 CO 0.18 -0.09 1.17 1.14 -0.33 0.00 0.00 177.00 179.07 3kqu s GLN 453 N -1.66 2.83 0.66 5.54 -2.07 -0.13 -4.75 119.66 120.09 3kqu s GLN 453 Ca 0.48 1.66 -0.00 0.00 -1.82 0.00 0.00 55.36 55.68 3kqu s GLN 453 Cb -0.38 -1.93 0.09 0.00 -1.09 0.00 0.00 33.01 29.71 3kqu s GLN 453 CO 0.49 -1.28 0.92 0.16 -1.32 0.00 0.00 175.29 174.27 3kqu s ASP 454 N -1.97 4.68 0.16 12.60 -4.77 -1.26 -3.28 116.67 122.83 3kqu s ASP 454 Ca 0.73 -0.21 -0.16 0.00 -3.30 0.00 0.00 52.55 49.61 3kqu s ASP 454 Cb -0.26 -0.35 0.09 0.00 -1.09 0.00 0.00 42.92 41.30 3kqu s ASP 454 CO 0.37 -1.61 1.70 0.00 0.70 0.00 0.00 175.17 176.33 3kqu h ALA 455 N -0.33 0.34 -0.23 2.11 0.00 -1.25 -1.51 119.26 118.39 3kqu h ALA 455 Ca -0.39 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3kqu h ALA 455 Cb 1.28 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3kqu h ALA 455 CO 0.45 -0.39 -0.26 0.28 0.00 0.00 0.00 179.25 179.33 3kqu h VAL 456 N 0.11 0.37 -0.64 0.00 2.07 -1.87 -0.74 116.25 115.55 3kqu h VAL 456 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3kqu h VAL 456 Cb 0.25 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3kqu h VAL 456 CO -0.30 0.00 0.34 -1.28 0.02 0.00 0.00 177.57 176.35 3kqu h SER 457 N -0.27 0.48 -0.37 0.57 0.87 -1.81 -0.37 113.55 112.64 3kqu h SER 457 Ca 0.13 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3kqu h SER 457 Cb 0.48 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3kqu h SER 457 CO -0.38 0.31 0.15 -0.09 -0.53 0.00 0.00 176.83 176.28 3kqu h ARG 458 N 0.62 0.56 -0.52 2.24 2.43 -0.55 0.65 114.38 119.80 3kqu h ARG 458 Ca 0.29 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 3kqu h ARG 458 Cb 0.21 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3kqu h ARG 458 CO -0.20 0.54 -0.08 0.77 -1.51 0.00 0.00 179.97 179.50 3kqu h SER 459 N 0.46 0.98 -0.10 -3.80 0.02 -0.92 -0.65 113.55 109.54 3kqu h SER 459 Ca 0.12 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3kqu h SER 459 Cb 0.20 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3kqu h SER 459 CO -0.01 1.09 -0.04 1.56 -1.14 0.00 0.00 176.83 178.29 3kqu h GLN 460 N 0.85 0.20 -0.62 3.45 1.08 -0.92 0.13 115.11 119.28 3kqu h GLN 460 Ca 0.14 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3kqu h GLN 460 Cb 0.64 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 3kqu h GLN 460 CO 0.04 0.54 0.31 0.00 -0.95 0.00 0.00 178.83 178.78 3kqu h ARG 461 N -0.14 0.88 -0.68 1.46 3.08 -0.88 -1.66 114.38 116.45 3kqu h ARG 461 Ca 0.02 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kqu h ARG 461 Cb 0.47 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3kqu h ARG 461 CO 0.01 0.69 0.42 -0.09 -1.07 0.00 0.00 179.97 179.93 3kqu h ARG 462 N 0.85 0.91 0.00 0.04 2.43 -1.07 -2.38 114.38 115.16 3kqu h ARG 462 Ca 0.21 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kqu h ARG 462 Cb 0.09 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3kqu h ARG 462 CO -0.03 0.64 0.00 0.41 -1.51 0.00 0.00 179.97 179.48 3kqu n GLY 463 N -1.20 -0.02 0.15 2.80 0.00 0.44 -2.12 105.19 105.24 3kqu n GLY 463 Ca 0.06 0.00 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 -5.74 1.61 2.47 -1.36 -3.44 114.38 107.92 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 -0.44 -0.08 0.56 0.00 0.00 179.97 180.01 3kqu s THR 465 N -3.19 1.81 -1.20 2.04 -1.32 -0.90 -4.42 115.64 108.46 3kqu s THR 465 Ca 0.08 -1.70 -0.05 0.00 -1.21 0.00 0.00 61.69 58.81 3kqu s THR 465 Cb 0.10 -2.51 0.01 0.00 -1.51 0.00 0.00 72.50 68.58 3kqu s THR 465 CO 0.58 0.00 0.70 0.61 -2.21 0.00 0.00 174.62 174.31 3kqu n GLY 466 N -1.42 -0.28 3.21 6.08 0.00 -1.25 -4.94 105.19 106.59 3kqu n GLY 466 Ca -0.06 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.74 2.97 0.00 1.61 0.52 -1.26 -4.40 118.95 112.65 3kqu s ARG 467 Ca 0.35 -2.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.18 3kqu s ARG 467 Cb -0.15 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.27 3kqu s ARG 467 CO 0.43 -1.23 0.00 0.41 0.02 0.00 0.00 175.30 174.93 3kqu n GLY 468 N 3.92 0.68 3.63 -3.53 0.00 -1.26 -4.98 105.19 103.65 3kqu n GLY 468 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.51 0.09 0.56 1.61 1.70 -1.26 -5.15 118.95 115.99 3kqu s ARG 469 Ca 0.00 -0.04 -0.21 0.00 -0.47 0.00 0.00 55.73 55.02 3kqu s ARG 469 Cb 0.00 0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 3kqu s ARG 469 CO 0.00 -0.04 1.27 0.00 -1.08 0.00 0.00 175.30 175.45 3kqu s MET 470 N -2.12 3.13 0.22 3.89 0.23 -1.26 -3.90 119.30 119.49 3kqu s MET 470 Ca 0.11 2.02 -0.10 0.00 -1.03 0.00 0.00 55.69 56.69 3kqu s MET 470 Cb -0.00 -2.14 -0.01 0.00 -1.53 0.00 0.00 34.83 31.14 3kqu s MET 470 CO -0.03 -1.13 0.38 0.20 -2.03 0.00 0.00 175.02 172.41 3kqu s GLY 471 N -1.26 0.67 0.03 3.16 0.00 0.29 -4.60 107.32 105.61 3kqu s GLY 471 Ca 0.73 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 44.51 3kqu s GLY 471 CO 0.40 -0.80 -0.18 -0.42 0.00 0.00 0.00 173.10 172.11 3kqu s ILE 472 N -4.03 2.81 -0.16 0.90 1.01 -0.82 -0.91 121.20 119.99 3kqu s ILE 472 Ca 0.24 -1.13 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 3kqu s ILE 472 Cb 0.01 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.36 3kqu s ILE 472 CO 0.07 0.37 -0.07 -0.47 0.00 0.00 0.00 174.94 174.85 3kqu s TYR 473 N -0.89 1.82 -0.09 3.97 5.04 0.72 -1.03 117.35 126.89 3kqu s TYR 473 Ca 0.14 -1.14 -0.01 0.00 -2.44 0.00 0.00 57.07 53.63 3kqu s TYR 473 Cb -0.10 -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 -0.05 1.03 -1.34 0.00 0.00 175.55 174.60 3kqu s ARG 474 N 1.59 3.00 0.19 4.97 0.52 0.12 -0.25 118.95 129.10 3kqu s ARG 474 Ca 0.01 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 3kqu s ARG 474 Cb -0.15 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 3kqu s ARG 474 CO -0.08 0.57 -0.01 -0.59 0.02 0.00 0.00 175.30 175.21 3kqu s PHE 475 N -0.54 1.34 -0.21 -0.53 -0.71 -1.20 -0.73 117.98 115.40 3kqu s PHE 475 Ca 0.08 -0.96 -0.17 0.00 -1.04 0.00 0.00 56.93 54.84 3kqu s PHE 475 Cb -0.12 -0.76 -0.13 0.00 -1.21 0.00 0.00 43.02 40.80 3kqu s PHE 475 CO 0.02 -0.12 -0.02 0.28 -1.34 0.00 0.00 175.22 174.04 3kqu n VAL 476 N -0.30 1.51 -5.20 -2.49 0.31 -1.11 -1.37 118.33 109.69 3kqu n VAL 476 Ca -0.06 -0.03 -0.31 0.00 -0.01 0.00 0.00 64.34 63.92 3kqu n VAL 476 Cb 0.63 -2.10 -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 -2.40 2.32 0.93 2.52 2.01 -1.26 -4.81 115.64 114.94 3kqu s THR 477 Ca -0.28 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 3kqu s THR 477 Cb 0.07 -1.84 0.21 0.00 0.01 0.00 0.00 72.50 70.95 3kqu s THR 477 CO 0.48 0.58 1.27 -2.16 -0.69 0.00 0.00 174.62 174.10 3kqu s PRO 478 N -0.61 0.65 0.90 4.92 0.04 -1.26 -4.93 135.00 134.70 3kqu s PRO 478 Ca 0.09 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.40 3kqu s PRO 478 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3kqu s PRO 478 CO -0.00 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.12 3kqu n GLY 479 N -3.61 -0.91 3.65 0.56 0.00 -1.26 -5.04 105.19 98.57 3kqu n GLY 479 Ca 0.17 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.77 0.21 0.25 1.61 4.04 -1.26 -4.99 118.70 117.79 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 -0.10 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 -4.81 118.95 112.20 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 -2.95 1.87 0.00 3.89 0.02 -1.26 -0.79 135.00 135.78 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 0.23 -1.98 0.00 -1.13 -0.33 0.00 0.00 177.00 173.78 3kqu n SER 483 N -3.42 1.53 0.00 2.53 3.41 -1.26 -4.72 113.62 111.69 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 3.34 3.00 5.00 0.00 -0.91 -4.71 105.19 115.90 3kqu n GLY 484 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.85 0.60 0.15 1.61 0.00 -1.26 -0.85 119.30 118.71 3kqu s MET 485 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 55.69 55.49 3kqu s MET 485 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 34.83 34.21 3kqu s MET 485 CO 0.00 0.16 -0.20 -0.59 0.00 0.00 0.00 175.02 174.39 3kqu s PHE 486 N -0.22 1.90 0.51 4.11 -0.12 -0.83 -4.97 117.98 118.36 3kqu s PHE 486 Ca 0.02 -0.44 -0.21 0.00 -0.05 0.00 0.00 56.93 56.25 3kqu s PHE 486 Cb -0.03 -0.97 -0.06 0.00 -0.63 0.00 0.00 43.02 41.33 3kqu s PHE 486 CO -0.00 0.33 1.19 0.34 -0.05 0.00 0.00 175.22 177.02 3kqu s ASP 487 N -2.49 5.82 0.66 1.98 2.15 -1.26 -4.54 116.67 119.00 3kqu s ASP 487 Ca 0.14 2.35 0.31 0.00 0.43 0.00 0.00 52.55 55.78 3kqu s ASP 487 Cb -0.07 -2.60 1.67 0.00 -0.30 0.00 0.00 42.92 41.61 3kqu s ASP 487 CO 0.07 -1.16 1.94 -1.28 -0.17 0.00 0.00 175.17 174.56 3kqu h SER 488 N 1.62 0.00 0.39 -0.34 0.87 -1.94 0.13 113.55 114.29 3kqu h SER 488 Ca -0.50 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 3kqu h SER 488 Cb 1.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3kqu h SER 488 CO 0.58 0.00 -0.16 0.77 -0.53 0.00 0.00 176.83 177.49 3kqu h SER 489 N 0.00 0.00 -0.48 6.23 4.64 -1.90 -1.93 113.55 120.11 3kqu h SER 489 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3kqu h SER 489 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3kqu h SER 489 CO 0.00 0.16 -0.01 0.58 -0.87 0.00 0.00 176.83 176.69 3kqu h VAL 490 N 0.00 1.26 -0.43 0.95 2.07 -1.07 -0.30 116.25 118.73 3kqu h VAL 490 Ca -0.00 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3kqu h VAL 490 Cb 0.40 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3kqu h VAL 490 CO 0.02 0.38 0.26 -0.07 0.02 0.00 0.00 177.57 178.18 3kqu h LEU 491 N 0.70 0.52 -0.74 2.57 3.38 -1.50 -0.75 115.31 119.50 3kqu h LEU 491 Ca 0.13 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.14 3kqu h LEU 491 Cb 0.53 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3kqu h LEU 491 CO 0.03 0.42 0.38 0.00 0.09 0.00 0.00 178.44 179.36 3kqu h GLU 493 N 0.64 0.86 -0.32 0.00 4.81 -0.01 -2.12 114.58 118.43 3kqu h GLU 493 Ca 0.36 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3kqu h GLU 493 Cb 0.38 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3kqu h GLU 493 CO -0.27 0.60 0.11 0.00 -0.73 0.00 0.00 179.01 178.72 3kqu h TYR 495 N 0.37 0.47 -0.82 0.00 0.05 -1.24 0.16 116.97 115.96 3kqu h TYR 495 Ca 0.10 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.92 3kqu h TYR 495 Cb 0.23 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.77 3kqu h TYR 495 CO 0.00 0.37 0.51 0.22 -1.05 0.00 0.00 178.16 178.22 3kqu h ASP 496 N 0.43 0.82 -0.40 3.88 1.82 -1.23 0.09 116.42 121.84 3kqu h ASP 496 Ca 0.12 0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.62 3kqu h ASP 496 Cb 0.06 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 3kqu h ASP 496 CO -0.02 0.55 -0.33 0.00 -1.61 0.00 0.00 179.24 177.83 3kqu h ALA 497 N 1.37 0.63 -0.73 -0.78 0.00 -0.62 0.73 119.26 119.87 3kqu h ALA 497 Ca 0.34 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kqu h ALA 497 Cb 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3kqu h ALA 497 CO -0.15 0.68 0.48 0.78 0.00 0.00 0.00 179.25 181.04 3kqu h GLY 498 N 0.82 1.03 1.45 0.00 0.00 0.05 0.39 103.07 106.82 3kqu h GLY 498 Ca 0.08 -0.37 -0.24 0.00 0.00 0.00 0.00 47.33 46.80 3kqu h GLY 498 CO 0.09 0.35 -0.97 0.00 0.00 0.00 0.00 176.54 176.00 3kqu h ALA 500 N 0.65 0.57 0.00 0.00 0.00 -0.62 -3.42 119.26 116.43 3kqu h ALA 500 Ca -0.09 -1.32 -0.07 0.00 0.00 0.00 0.00 54.91 53.42 3kqu h ALA 500 Cb 1.61 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 3kqu h ALA 500 CO 0.17 1.41 -1.28 0.91 0.00 0.00 0.00 179.25 180.47 3kqu n TRP 501 N -3.24 0.00 -0.96 0.00 7.02 0.14 -4.84 117.44 115.55 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 -0.19 0.32 0.00 -2.42 0.00 0.00 31.31 30.06 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 -2.43 1.40 -4.29 -5.99 4.01 -1.05 -4.91 117.16 103.91 3kqu n TYR 502 Ca -0.08 -0.82 -0.32 0.00 -0.16 0.00 0.00 57.90 56.52 3kqu n TYR 502 Cb 0.61 -0.40 -0.08 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.06 -1.38 -4.66 -0.72 1.02 -1.03 -4.94 120.64 108.87 3kqu n GLU 503 Ca 0.24 0.16 -0.33 0.00 -0.02 0.00 0.00 57.16 57.21 3kqu n GLU 503 Cb 1.02 -3.98 -0.13 0.00 -0.02 0.00 0.00 31.44 28.33 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 -7.30 2.97 0.48 -4.62 1.43 -0.22 -5.03 118.68 106.39 3kqu s LEU 504 Ca 0.17 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 3kqu s LEU 504 Cb -0.09 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 3kqu s LEU 504 CO 0.98 0.23 0.98 0.42 0.23 0.00 0.00 176.35 179.20 3kqu s THR 505 N -0.04 4.39 0.28 5.49 -4.23 -1.26 -3.69 115.64 116.57 3kqu s THR 505 Ca -0.01 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.80 3kqu s THR 505 Cb -0.14 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.35 3kqu s THR 505 CO 0.03 -0.51 1.67 -0.65 -0.54 0.00 0.00 174.62 174.62 3kqu h PRO 506 N 1.31 0.26 -0.67 3.99 0.11 -1.92 0.20 132.00 135.29 3kqu h PRO 506 Ca -0.48 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3kqu h PRO 506 Cb 1.19 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3kqu h PRO 506 CO 0.61 0.17 0.42 0.00 -0.21 0.00 0.00 178.00 178.99 3kqu h ALA 507 N 1.72 0.86 -0.65 -0.75 0.00 -1.92 -0.40 119.26 118.13 3kqu h ALA 507 Ca 0.52 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 3kqu h ALA 507 Cb 0.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kqu h ALA 507 CO -0.59 0.20 0.06 1.49 0.00 0.00 0.00 179.25 180.41 3kqu h GLU 508 N 0.84 1.11 -0.76 0.00 4.81 -1.08 -2.50 114.58 116.99 3kqu h GLU 508 Ca 0.26 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3kqu h GLU 508 Cb -0.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3kqu h GLU 508 CO -0.09 1.04 0.34 1.15 -0.73 0.00 0.00 179.01 180.72 3kqu h THR 509 N 1.02 1.24 -0.76 0.32 2.02 -0.22 -2.69 112.91 113.85 3kqu h THR 509 Ca 0.19 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3kqu h THR 509 Cb 0.50 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3kqu h THR 509 CO 0.02 0.30 0.44 0.28 0.37 0.00 0.00 175.52 176.93 3kqu h SER 510 N 1.09 0.93 -0.35 4.18 0.02 -0.69 -0.86 113.55 117.86 3kqu h SER 510 Ca 0.26 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3kqu h SER 510 Cb 0.14 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3kqu h SER 510 CO -0.03 0.74 0.19 0.58 -1.14 0.00 0.00 176.83 177.17 3kqu h VAL 511 N 1.05 1.14 0.16 2.27 2.07 -1.13 -0.04 116.25 121.76 3kqu h VAL 511 Ca 0.27 -0.38 -0.27 0.00 0.82 0.00 0.00 66.70 67.14 3kqu h VAL 511 Cb -0.00 0.64 0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3kqu h VAL 511 CO -0.05 0.16 -1.15 0.03 0.02 0.00 0.00 177.57 176.58 3kqu h ARG 512 N 0.54 0.50 -0.11 1.57 3.08 -1.19 -3.04 114.38 115.74 3kqu h ARG 512 Ca 0.14 -0.75 -0.08 0.00 0.07 0.00 0.00 59.98 59.36 3kqu h ARG 512 Cb 0.06 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kqu h ARG 512 CO -0.02 1.34 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.84 3kqu h LEU 513 N 0.03 0.21 -0.51 3.04 3.38 -0.97 -2.62 115.31 117.87 3kqu h LEU 513 Ca -0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3kqu h LEU 513 Cb 1.87 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 3kqu h LEU 513 CO 0.22 0.52 0.20 -0.09 0.09 0.00 0.00 178.44 179.38 3kqu h ARG 514 N 0.19 0.76 -0.84 1.13 9.65 -1.06 0.98 114.38 125.18 3kqu h ARG 514 Ca 0.03 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3kqu h ARG 514 Cb 0.65 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 3kqu h ARG 514 CO 0.05 0.68 0.49 0.00 2.80 0.00 0.00 179.97 183.98 3kqu h ALA 515 N 1.05 1.28 0.62 2.80 0.00 -1.35 -1.04 119.26 122.61 3kqu h ALA 515 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kqu h ALA 515 Cb 0.20 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kqu h ALA 515 CO -0.01 0.61 -0.30 -0.92 0.00 0.00 0.00 179.25 178.62 3kqu h TYR 516 N 1.17 -0.78 -0.02 0.00 5.03 -1.04 -2.93 116.97 118.40 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 -0.02 0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 3kqu h TYR 516 CO 0.01 -0.44 0.04 -0.07 -1.32 0.00 0.00 178.16 176.38 3kqu h LEU 517 N -1.10 0.00 -0.82 2.82 4.07 -0.71 -1.57 115.31 118.01 3kqu h LEU 517 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3kqu h LEU 517 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 3kqu h LEU 517 CO 0.14 0.00 -0.12 0.59 -1.08 0.00 0.00 178.44 177.98 3kqu n ASN 518 N -3.64 1.40 -4.61 -0.43 5.03 -0.41 -4.84 115.26 107.76 3kqu n ASN 518 Ca -0.02 -1.28 -0.38 0.00 0.87 0.00 0.00 54.58 53.77 3kqu n ASN 518 Cb 0.12 0.07 -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 -2.21 5.27 0.49 3.41 2.01 -0.59 -5.07 115.64 118.95 3kqu s THR 519 Ca 0.32 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.40 3kqu s THR 519 Cb 0.20 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 3kqu s THR 519 CO 0.41 0.24 1.27 -2.84 -0.69 0.00 0.00 174.62 173.01 3kqu s PRO 520 N 1.73 3.50 0.00 4.92 0.02 -1.26 -3.76 135.00 140.15 3kqu s PRO 520 Ca 0.10 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3kqu s PRO 520 Cb -0.16 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 31.99 3kqu s PRO 520 CO 0.10 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3kqu n GLY 521 N 0.59 0.62 3.83 0.52 0.00 -1.26 -5.08 105.19 104.42 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 3.16 0.31 0.99 1.43 -1.25 -4.54 118.68 118.79 3kqu s LEU 522 Ca 0.00 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 51.85 3kqu s LEU 522 Cb 0.00 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 3kqu s LEU 522 CO 0.00 -0.70 1.39 -2.84 0.23 0.00 0.00 176.35 174.43 3kqu s PRO 523 N -4.07 4.28 0.34 1.29 0.02 -1.26 -4.86 135.00 130.73 3kqu s PRO 523 Ca 0.43 2.32 0.04 0.00 0.02 0.00 0.00 61.00 63.80 3kqu s PRO 523 Cb -0.00 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3kqu s PRO 523 CO 0.25 -0.34 0.51 0.14 -0.33 0.00 0.00 177.00 177.23 3kqu s VAL 524 N -0.75 4.46 -0.03 3.83 -7.23 -0.03 -4.94 120.40 115.71 3kqu s VAL 524 Ca 0.53 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.61 3kqu s VAL 524 Cb -0.42 -3.59 0.08 0.00 0.56 0.00 0.00 36.38 33.01 3kqu s VAL 524 CO 0.52 -0.30 0.74 0.00 -0.31 0.00 0.00 175.10 175.75 3kqu n GLN 526 N 0.59 1.72 -2.51 0.00 3.00 -1.26 -4.85 117.38 114.06 3kqu n GLN 526 Ca -0.16 0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 57.04 3kqu n GLN 526 Cb 0.59 -2.19 -0.03 0.00 0.00 0.00 0.00 30.24 28.61 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 0.11 6.42 -0.17 1.08 3.68 -1.26 -4.70 116.67 121.83 3kqu s ASP 527 Ca 0.68 -1.52 0.17 0.00 2.13 0.00 0.00 52.55 54.01 3kqu s ASP 527 Cb -0.71 -2.57 0.47 0.00 -1.45 0.00 0.00 42.92 38.66 3kqu s ASP 527 CO 0.52 -1.59 1.35 1.41 0.13 0.00 0.00 175.17 177.00 3kqu n HIS 528 N 9.31 0.71 0.06 -5.34 8.25 -1.26 -4.76 115.22 122.18 3kqu n HIS 528 Ca 0.36 -0.93 -0.12 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 31.28 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 1.32 -1.04 -0.44 2.41 3.38 -1.99 -0.59 115.31 118.34 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 1.34 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 42.41 3kqu h LEU 529 CO 0.17 -0.41 -0.21 -0.33 0.09 0.00 0.00 178.44 177.76 3kqu h GLU 530 N -0.50 -0.11 0.59 1.13 4.39 -1.99 0.31 114.58 118.40 3kqu h GLU 530 Ca 0.06 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3kqu h GLU 530 Cb 0.59 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3kqu h GLU 530 CO -0.28 -0.07 -0.45 0.35 -1.16 0.00 0.00 179.01 177.40 3kqu h PHE 531 N -0.11 -1.23 -0.95 4.33 3.57 -1.79 -0.43 116.94 120.33 3kqu h PHE 531 Ca 0.21 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.79 3kqu h PHE 531 Cb 0.44 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 3kqu h PHE 531 CO -0.46 -0.64 0.61 -1.49 -2.23 0.00 0.00 178.31 174.10 3kqu h TRP 532 N -1.01 1.10 -0.33 0.41 4.06 -0.74 -1.12 115.95 118.32 3kqu h TRP 532 Ca -0.08 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3kqu h TRP 532 Cb 0.83 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 3kqu h TRP 532 CO -0.16 0.55 0.21 1.49 -3.56 0.00 0.00 178.44 176.97 3kqu h GLU 533 N 1.06 0.43 -0.10 0.49 4.81 -0.22 -1.34 114.58 119.71 3kqu h GLU 533 Ca 0.42 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 3kqu h GLU 533 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kqu h GLU 533 CO -0.17 0.30 -0.18 0.66 -0.73 0.00 0.00 179.01 178.89 3kqu h SER 534 N 0.43 0.15 0.67 1.04 4.64 -0.25 -0.64 113.55 119.59 3kqu h SER 534 Ca 0.12 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3kqu h SER 534 Cb -0.03 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3kqu h SER 534 CO -0.02 0.35 -0.32 0.58 -0.87 0.00 0.00 176.83 176.55 3kqu h VAL 535 N 0.15 0.17 0.00 0.95 2.07 -0.55 -3.18 116.25 115.87 3kqu h VAL 535 Ca 0.03 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3kqu h VAL 535 Cb 0.42 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 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 -1.17 -1.89 116.94 113.26 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 0.72 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 0.00 178.31 178.10 3kqu h THR 537 N 0.00 0.62 0.00 -1.55 2.02 -1.10 -1.39 112.91 111.50 3kqu h THR 537 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3kqu h THR 537 Cb 0.36 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3kqu h THR 537 CO 0.03 0.00 -0.65 1.23 0.37 0.00 0.00 175.52 176.49 3kqu h GLY 538 N 0.00 0.00 -7.56 2.16 0.00 -1.32 -3.41 103.07 92.94 3kqu h GLY 538 Ca 0.03 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.76 3kqu h GLY 538 CO -0.00 0.00 1.79 1.08 0.00 0.00 0.00 176.54 179.41 3kqu s LEU 539 N -6.46 3.61 0.29 3.11 1.43 -0.53 -4.95 118.68 115.18 3kqu s LEU 539 Ca 0.03 -1.97 0.10 0.00 -1.03 0.00 0.00 54.13 51.26 3kqu s LEU 539 Cb 0.08 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3kqu s LEU 539 CO 0.76 -1.57 -0.03 0.42 0.23 0.00 0.00 176.35 176.15 3kqu s THR 540 N 5.54 3.08 -1.23 5.49 -4.23 -1.26 -4.73 115.64 118.31 3kqu s THR 540 Ca 0.54 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3kqu s THR 540 Cb 0.02 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.13 3kqu s THR 540 CO 0.03 -0.34 1.03 1.41 -0.54 0.00 0.00 174.62 176.21 3kqu n HIS 541 N -0.86 -2.30 -2.11 3.99 8.25 -1.26 -4.98 115.22 115.95 3kqu n HIS 541 Ca -0.06 0.95 -0.33 0.00 -0.26 0.00 0.00 57.72 58.02 3kqu n HIS 541 Cb 0.60 -5.08 0.01 0.00 1.12 0.00 0.00 29.99 26.64 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 -3.36 3.63 -0.29 1.59 2.07 -1.26 -4.96 121.20 118.63 3kqu s ILE 542 Ca 0.09 0.84 -0.29 0.00 -1.41 0.00 0.00 60.65 59.88 3kqu s ILE 542 Cb -0.04 -3.34 0.00 0.00 0.13 0.00 0.00 42.46 39.22 3kqu s ILE 542 CO 0.73 -0.39 1.26 -0.62 -1.91 0.00 0.00 174.94 174.00 3kqu s ASP 543 N -2.49 6.76 0.31 4.50 3.68 -1.26 -4.90 116.67 123.27 3kqu s ASP 543 Ca 0.66 1.24 0.02 0.00 2.13 0.00 0.00 52.55 56.60 3kqu s ASP 543 Cb -0.18 -2.54 0.59 0.00 -1.45 0.00 0.00 42.92 39.34 3kqu s ASP 543 CO 0.33 -1.00 1.90 0.00 0.13 0.00 0.00 175.17 176.53 3kqu h ALA 544 N 8.93 1.57 -0.62 3.66 0.00 -1.99 -0.78 119.26 130.03 3kqu h ALA 544 Ca -0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3kqu h ALA 544 Cb 1.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3kqu h ALA 544 CO 1.02 0.27 0.25 1.25 0.00 0.00 0.00 179.25 182.04 3kqu h HIS 545 N 0.96 0.91 -0.06 0.00 6.17 -1.99 0.06 115.15 121.19 3kqu h HIS 545 Ca 0.41 -0.05 -0.14 0.00 0.71 0.00 0.00 60.37 61.29 3kqu h HIS 545 Cb 0.31 -0.28 0.01 0.00 2.52 0.00 0.00 27.41 29.97 3kqu h HIS 545 CO -0.00 0.70 -0.51 0.74 0.71 0.00 0.00 177.93 179.57 3kqu h PHE 546 N 0.89 0.63 0.03 5.26 0.05 -1.68 -2.61 116.94 119.50 3kqu h PHE 546 Ca 0.21 -0.30 0.01 0.00 3.82 0.00 0.00 57.97 61.71 3kqu h PHE 546 Cb 0.18 -0.09 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 3kqu h PHE 546 CO 0.01 1.09 -0.08 1.25 -0.18 0.00 0.00 178.31 180.40 3kqu h LEU 547 N -0.01 -0.23 -0.83 1.54 6.46 -0.98 -1.36 115.31 119.90 3kqu h LEU 547 Ca -0.05 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.87 3kqu h LEU 547 Cb 1.18 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 41.12 3kqu h LEU 547 CO 0.10 -0.12 0.44 -1.28 -0.62 0.00 0.00 178.44 176.96 3kqu h SER 548 N -0.16 0.56 -0.59 1.25 0.87 -1.04 -1.51 113.55 112.94 3kqu h SER 548 Ca 0.02 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3kqu h SER 548 Cb 0.18 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3kqu h SER 548 CO -0.07 0.28 -0.02 1.56 -0.53 0.00 0.00 176.83 178.05 3kqu h GLN 549 N 0.67 1.07 0.00 2.24 4.20 -0.93 -2.31 115.11 120.05 3kqu h GLN 549 Ca 0.43 -0.35 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3kqu h GLN 549 Cb 0.53 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3kqu h GLN 549 CO -0.32 1.05 -0.40 1.79 -0.67 0.00 0.00 178.83 180.28 3kqu h THR 550 N 0.97 0.87 -0.08 -0.54 1.35 -0.73 -1.97 112.91 112.76 3kqu h THR 550 Ca 0.17 -1.66 -0.06 0.00 -0.55 0.00 0.00 66.41 64.31 3kqu h THR 550 Cb 0.58 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3kqu h THR 550 CO 0.03 0.39 -0.17 0.11 -0.25 0.00 0.00 175.52 175.63 3kqu h LYS 551 N 0.00 0.26 0.00 4.72 1.57 -1.11 -2.55 116.57 119.46 3kqu h LYS 551 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kqu h LYS 551 Cb 1.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3kqu h LYS 551 CO 0.05 0.76 0.00 1.96 -0.57 0.00 0.00 179.45 181.66 3kqu h GLN 552 N -0.21 0.00 -0.00 3.15 4.20 -1.38 -1.96 115.11 118.92 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 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3kqu h GLN 552 CO 0.04 0.00 -0.32 0.00 -0.67 0.00 0.00 178.83 177.87 3kqu n ALA 553 N -1.90 3.15 -1.01 3.87 0.00 -0.75 -4.93 120.51 118.94 3kqu n ALA 553 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 3kqu n ALA 553 Cb 0.26 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.46 0.46 3.68 0.00 0.00 -0.74 -5.00 105.19 105.05 3kqu n GLY 554 Ca 0.07 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 0.19 1.84 -4.79 1.61 8.00 -0.97 -4.97 116.55 117.45 3kqu n ASP 555 Ca -0.01 0.94 -0.36 0.00 0.71 0.00 0.00 54.79 56.08 3kqu n ASP 555 Cb 0.07 -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 -0.97 7.07 -1.23 -2.24 0.01 -1.26 -3.65 114.94 112.66 3kqu s ASN 556 Ca 0.71 1.83 -0.09 0.00 -0.71 0.00 0.00 52.86 54.60 3kqu s ASN 556 Cb -0.44 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.64 3kqu s ASN 556 CO 0.50 -0.26 0.71 0.49 -1.51 0.00 0.00 177.10 177.02 3kqu n PHE 557 N 0.02 -1.91 -0.03 2.20 3.01 -1.26 -4.77 117.46 114.72 3kqu n PHE 557 Ca 0.04 0.66 0.10 0.00 1.01 0.00 0.00 57.45 59.27 3kqu n PHE 557 Cb 0.51 -3.85 0.50 0.00 -0.01 0.00 0.00 39.48 36.63 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 -1.80 0.38 0.17 -1.08 0.13 -1.87 -1.39 132.00 126.54 3kqu h PRO 558 Ca -0.64 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 3kqu h PRO 558 Cb 1.36 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kqu h PRO 558 CO 0.53 0.25 -0.08 -0.92 -0.23 0.00 0.00 178.00 177.55 3kqu h TYR 559 N 0.39 -0.21 -0.77 1.56 3.20 -1.89 -0.96 116.97 118.30 3kqu h TYR 559 Ca 0.22 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3kqu h TYR 559 Cb 0.37 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 3kqu h TYR 559 CO -0.00 0.13 0.49 -0.07 -1.64 0.00 0.00 178.16 177.08 3kqu h LEU 560 N -0.58 0.82 0.46 2.82 3.38 -1.85 0.48 115.31 120.84 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 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kqu h LEU 560 CO 0.04 0.57 -0.25 0.58 0.09 0.00 0.00 178.44 179.46 3kqu h VAL 561 N 0.96 0.49 -0.57 1.22 2.07 -1.25 -1.74 116.25 117.44 3kqu h VAL 561 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3kqu h VAL 561 Cb -0.00 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3kqu h VAL 561 CO -0.10 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.84 3kqu h ALA 562 N -0.14 1.56 -0.53 1.67 0.00 -0.77 -1.50 119.26 119.54 3kqu h ALA 562 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kqu h ALA 562 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kqu h ALA 562 CO 0.08 0.39 0.13 -0.92 0.00 0.00 0.00 179.25 178.93 3kqu h TYR 563 N 0.77 0.89 -0.55 0.00 3.20 0.31 0.32 116.97 121.91 3kqu h TYR 563 Ca 0.21 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3kqu h TYR 563 Cb -0.05 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3kqu h TYR 563 CO 0.00 0.78 0.23 0.37 -1.64 0.00 0.00 178.16 177.90 3kqu h GLN 564 N 0.74 0.78 -0.66 1.82 5.75 -0.82 -0.49 115.11 122.24 3kqu h GLN 564 Ca 0.17 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.47 3kqu h GLN 564 Cb 0.34 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3kqu h GLN 564 CO 0.00 0.64 0.07 0.00 -2.65 0.00 0.00 178.83 176.89 3kqu h ALA 565 N 1.47 0.88 -0.10 3.38 0.00 -0.65 -1.75 119.26 122.49 3kqu h ALA 565 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kqu h ALA 565 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kqu h ALA 565 CO -0.02 0.67 0.05 1.15 0.00 0.00 0.00 179.25 181.11 3kqu h THR 566 N 1.03 1.09 -0.46 0.00 2.02 0.04 -1.20 112.91 115.42 3kqu h THR 566 Ca 0.20 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kqu h THR 566 Cb 0.49 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3kqu h THR 566 CO 0.02 0.08 0.30 0.58 0.37 0.00 0.00 175.52 176.87 3kqu h VAL 567 N 0.06 1.12 0.31 3.16 2.07 -1.03 -1.56 116.25 120.40 3kqu h VAL 567 Ca 0.03 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kqu h VAL 567 Cb 0.07 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3kqu h VAL 567 CO -0.01 0.12 -0.31 0.00 0.02 0.00 0.00 177.57 177.40 3kqu h ALA 569 N -0.10 0.88 0.00 0.00 0.00 -1.09 0.18 119.26 119.14 3kqu h ALA 569 Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kqu h ALA 569 Cb 0.59 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kqu h ALA 569 CO -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 3kqu h ARG 570 N 0.46 0.00 -0.28 0.00 3.08 -0.96 -0.22 114.38 116.46 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 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kqu h ARG 570 CO -0.32 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.62 3kqu n ALA 571 N -2.16 2.40 -3.10 0.04 0.00 0.08 -4.94 120.51 112.84 3kqu n ALA 571 Ca -0.02 -0.91 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 3kqu n ALA 571 Cb 0.19 -0.71 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 1.20 -3.71 -4.14 0.00 6.02 0.42 -4.88 117.38 112.30 3kqu n GLN 572 Ca 0.15 0.65 -0.26 0.00 -0.01 0.00 0.00 57.00 57.53 3kqu n GLN 572 Cb 0.52 -5.40 -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 -2.98 3.41 0.66 -1.58 0.00 0.03 0.13 121.76 121.43 3kqu s ALA 573 Ca 0.30 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 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 0.37 0.50 1.06 -1.25 0.00 0.00 0.00 175.76 176.44 3kqu s PRO 574 N -3.02 3.23 0.98 0.00 0.04 -1.26 -4.19 135.00 130.78 3kqu s PRO 574 Ca 0.29 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 61.87 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 -0.82 1.14 -1.25 0.04 0.00 0.00 177.00 176.33 3kqu s PRO 575 N -5.22 0.57 0.47 0.56 0.04 -1.26 -4.45 135.00 125.71 3kqu s PRO 575 Ca 0.57 0.22 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 33.95 3kqu s PRO 575 CO 0.53 -2.57 1.83 -1.35 0.04 0.00 0.00 177.00 175.48 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 -0.94 -1.51 -2.05 3.41 -1.26 -0.71 113.62 106.15 3kqu n SER 577 Ca 0.22 -1.70 -0.13 0.00 -0.26 0.00 0.00 58.87 57.00 3kqu n SER 577 Cb 0.95 1.58 0.11 0.00 -0.26 0.00 0.00 64.21 66.59 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 -0.23 1.75 -2.47 7.33 7.02 -1.26 -4.82 117.44 124.75 3kqu n TRP 578 Ca -0.03 -1.98 -0.23 0.00 -1.02 0.00 0.00 57.50 54.23 3kqu n TRP 578 Cb 0.26 -0.44 0.06 0.00 -2.42 0.00 0.00 31.31 28.77 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 -3.16 4.96 0.30 -0.99 1.47 -1.26 -4.93 116.67 113.06 3kqu s ASP 579 Ca 0.48 0.10 0.05 0.00 1.18 0.00 0.00 52.55 54.35 3kqu s ASP 579 Cb 0.41 -0.82 0.80 0.00 -0.34 0.00 0.00 42.92 42.97 3kqu s ASP 579 CO -0.00 -1.42 1.45 0.00 0.68 0.00 0.00 175.17 175.88 3kqu n GLN 580 N -2.62 -0.07 -0.33 2.11 1.13 -1.26 -0.89 117.38 115.45 3kqu n GLN 580 Ca 0.09 1.36 0.31 0.00 -1.94 0.00 0.00 57.00 56.83 3kqu n GLN 580 Cb 0.60 -2.22 0.67 0.00 0.11 0.00 0.00 30.24 29.40 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 0.13 -0.34 -1.09 4.05 -1.98 -1.00 114.93 114.71 3kqu h MET 581 Ca 0.60 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 60.01 3kqu h MET 581 Cb 1.32 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3kqu h MET 581 CO -0.84 0.08 0.00 0.91 0.23 0.00 0.00 176.91 177.30 3kqu n TRP 582 N -4.35 1.04 -0.04 1.39 7.02 -0.07 -4.70 117.44 117.74 3kqu n TRP 582 Ca 0.26 -0.79 0.20 0.00 -1.02 0.00 0.00 57.50 56.16 3kqu n TRP 582 Cb 1.13 -0.29 0.67 0.00 -2.42 0.00 0.00 31.31 30.40 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 2.25 0.05 0.00 -0.99 2.10 -1.23 -1.37 116.57 117.38 3kqu h LYS 583 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqu h LYS 583 Cb 1.40 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 3kqu h LYS 583 CO 0.22 0.03 0.01 0.00 -2.00 0.00 0.00 179.45 177.71 3kqu n LEU 585 N -1.48 0.41 -0.30 0.00 4.77 -0.51 -4.55 117.00 115.34 3kqu n LEU 585 Ca 0.00 -0.36 0.21 0.00 -0.03 0.00 0.00 56.01 55.84 3kqu n LEU 585 Cb 0.01 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.60 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 -1.29 0.37 117.51 117.10 3kqu h ILE 586 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 64.72 3kqu h ILE 586 Cb 0.37 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.32 3kqu h ILE 586 CO 0.00 0.08 0.02 -0.09 -0.00 0.00 0.00 178.15 178.15 3kqu h ARG 587 N 0.42 0.00 -0.01 2.19 2.43 -1.80 -1.39 114.38 116.21 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 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3kqu h ARG 587 CO -0.26 0.00 -0.30 1.28 -1.51 0.00 0.00 179.97 179.19 3kqu n LEU 588 N -2.73 1.45 -0.21 3.80 4.32 0.13 -4.75 117.00 119.01 3kqu n LEU 588 Ca -0.02 -0.76 0.05 0.00 -0.02 0.00 0.00 56.01 55.26 3kqu n LEU 588 Cb 0.07 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.98 3kqu n LEU 588 CO 0.15 0.28 0.42 1.17 -1.22 0.00 0.00 177.39 178.20 3kqu n LYS 589 N -0.20 -0.05 0.27 3.23 4.81 -0.53 0.44 118.16 126.14 3kqu n LYS 589 Ca 0.06 0.92 0.15 0.00 -0.87 0.00 0.00 58.31 58.57 3kqu n LYS 589 Cb 0.29 -1.41 0.87 0.00 0.02 0.00 0.00 35.03 34.80 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 -2.99 132.00 128.91 3kqu h PRO 590 Ca 0.31 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.06 3kqu h PRO 590 Cb 0.54 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 3kqu h PRO 590 CO -0.60 0.00 -2.29 0.25 -0.21 0.00 0.00 178.00 175.15 3kqu n THR 591 N -3.92 1.43 -2.18 -1.15 -2.24 0.17 -4.96 114.28 101.42 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 67.77 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 0.05 3.22 1.43 -0.90 -4.87 118.68 116.45 3kqu s LEU 592 Ca -0.10 2.59 -0.27 0.00 -1.03 0.00 0.00 54.13 55.32 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 0.76 -1.38 0.23 0.00 0.00 176.35 176.31 3kqu s HIS 593 N -0.96 -0.45 0.00 0.29 -3.43 0.12 -4.75 115.29 106.10 3kqu s HIS 593 Ca 0.49 0.35 0.00 0.00 -0.80 0.00 0.00 55.06 55.10 3kqu s HIS 593 Cb -0.38 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 3kqu s HIS 593 CO 0.49 -0.67 0.00 0.41 -2.00 0.00 0.00 174.74 172.97 3kqu n GLY 594 N -0.17 -1.81 3.85 -1.38 0.00 -1.26 -4.16 105.19 100.27 3kqu n GLY 594 Ca -0.13 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 3.34 -0.03 1.61 0.04 -1.26 -4.50 135.00 134.20 3kqu s PRO 595 Ca 0.00 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 61.64 3kqu s PRO 595 Cb 0.00 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3kqu s PRO 595 CO 0.00 -0.77 0.62 0.99 0.04 0.00 0.00 177.00 177.88 3kqu s THR 596 N -3.14 4.96 -1.34 1.26 2.01 0.46 -4.56 115.64 115.29 3kqu s THR 596 Ca 0.56 1.29 -0.16 0.00 0.31 0.00 0.00 61.69 63.69 3kqu s THR 596 Cb -0.12 -3.96 0.07 0.00 0.01 0.00 0.00 72.50 68.50 3kqu s THR 596 CO 0.54 0.36 1.87 -2.65 -0.69 0.00 0.00 174.62 174.06 3kqu n PRO 597 N 3.13 3.12 -1.74 4.92 -0.02 -1.26 -0.63 135.00 142.52 3kqu n PRO 597 Ca -0.05 -3.12 -0.42 0.00 -2.02 0.00 0.00 63.50 57.89 3kqu n PRO 597 Cb 0.51 -3.38 -0.03 0.00 -0.02 0.00 0.00 33.50 30.58 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 3.26 4.41 -0.08 2.45 2.96 -1.10 -4.88 118.68 125.70 3kqu s LEU 598 Ca 0.51 2.60 0.07 0.00 -0.22 0.00 0.00 54.13 57.08 3kqu s LEU 598 Cb 0.07 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.98 3kqu s LEU 598 CO 0.02 -1.02 0.54 0.18 -1.32 0.00 0.00 176.35 174.74 3kqu n LEU 599 N 7.29 1.36 -3.81 -0.68 4.77 -1.26 -4.79 117.00 119.88 3kqu n LEU 599 Ca 0.19 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3kqu n LEU 599 Cb 0.41 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3kqu n LEU 599 CO 0.67 0.53 0.99 -0.72 -1.33 0.00 0.00 177.39 177.53 3kqu s TYR 600 N -2.58 -0.00 -0.26 -1.77 -0.85 -1.26 -4.59 117.35 106.04 3kqu s TYR 600 Ca -0.10 -0.19 -0.05 0.00 -0.52 0.00 0.00 57.07 56.20 3kqu s TYR 600 Cb 0.07 0.59 -0.00 0.00 0.38 0.00 0.00 41.96 43.01 3kqu s TYR 600 CO 0.81 -0.47 0.02 1.03 -1.52 0.00 0.00 175.55 175.42 3kqu s ARG 601 N -2.32 3.27 0.00 -3.49 0.52 -0.64 -4.91 118.95 111.38 3kqu s ARG 601 Ca 0.21 -0.72 0.11 0.00 -0.52 0.00 0.00 55.73 54.81 3kqu s ARG 601 Cb 0.01 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 3kqu s ARG 601 CO -0.00 -0.31 0.60 1.28 0.02 0.00 0.00 175.30 176.89 3kqu n LEU 602 N 4.84 1.03 0.00 2.53 4.77 -1.26 -0.84 117.00 128.07 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 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3kqu n LEU 602 CO 0.30 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3kqu n GLY 603 N 1.05 1.10 3.77 -0.72 0.00 -1.26 -4.87 105.19 104.25 3kqu n GLY 603 Ca 0.04 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 3.34 -0.20 4.61 0.00 -1.26 -5.02 121.76 122.23 3kqu s ALA 604 Ca 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 3kqu s ALA 604 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3kqu s ALA 604 CO 0.00 -0.52 -0.15 0.08 0.00 0.00 0.00 175.76 175.16 3kqu s VAL 605 N -1.25 2.39 -0.15 0.00 1.01 -1.26 -4.45 120.40 116.69 3kqu s VAL 605 Ca 0.52 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3kqu s VAL 605 Cb -0.35 -2.06 -0.13 0.00 0.00 0.00 0.00 36.38 33.84 3kqu s VAL 605 CO 0.45 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.96 3kqu n GLN 606 N 4.65 1.13 -1.66 2.72 6.02 0.11 -5.00 117.38 125.35 3kqu n GLN 606 Ca -0.20 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.54 3kqu n GLN 606 Cb 0.50 -1.33 0.07 0.00 1.02 0.00 0.00 30.24 30.49 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 -5.10 5.05 0.79 1.08 2.47 -0.84 -5.02 114.94 113.36 3kqu s ASN 607 Ca -0.15 1.34 -0.13 0.00 0.42 0.00 0.00 52.86 54.34 3kqu s ASN 607 Cb 0.05 -2.14 0.07 0.00 -1.45 0.00 0.00 41.25 37.78 3kqu s ASN 607 CO 0.45 -1.62 1.18 -1.61 -3.72 0.00 0.00 177.10 171.78 3kqu s GLU 608 N -5.18 1.83 -0.00 0.43 2.02 -1.26 -4.84 118.70 111.69 3kqu s GLU 608 Ca 0.59 1.64 0.04 0.00 0.02 0.00 0.00 54.97 57.27 3kqu s GLU 608 Cb -0.13 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 3kqu s GLU 608 CO 0.54 -2.05 -0.14 0.08 0.02 0.00 0.00 175.26 173.71 3kqu s VAL 609 N -2.27 1.08 -0.04 2.63 1.01 -1.26 -0.40 120.40 121.15 3kqu s VAL 609 Ca 0.71 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3kqu s VAL 609 Cb -0.26 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3kqu s VAL 609 CO 0.50 0.27 -0.24 0.28 0.00 0.00 0.00 175.10 175.91 3kqu s THR 610 N -0.38 2.18 -0.21 3.92 -1.32 0.20 -4.82 115.64 115.21 3kqu s THR 610 Ca 0.05 -1.04 0.15 0.00 -1.21 0.00 0.00 61.69 59.64 3kqu s THR 610 Cb -0.06 -1.78 0.52 0.00 -1.51 0.00 0.00 72.50 69.66 3kqu s THR 610 CO -0.00 0.57 1.43 0.35 -2.21 0.00 0.00 174.62 174.76 3kqu n THR 611 N 2.71 2.34 1.04 5.08 -2.24 -1.26 -2.72 114.28 119.23 3kqu n THR 611 Ca -0.17 -2.09 0.12 0.00 -2.27 0.00 0.00 64.05 59.64 3kqu n THR 611 Cb 0.52 -0.27 0.21 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.71 0.06 -2.02 4.28 -2.24 -1.26 -4.55 114.28 107.84 3kqu n THR 612 Ca 0.24 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 3kqu n THR 612 Cb 0.93 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 70.33 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 -1.94 3.00 0.26 4.78 5.04 -1.26 -4.81 115.29 120.36 3kqu s HIS 613 Ca 0.31 1.12 -0.07 0.00 -1.54 0.00 0.00 55.06 54.88 3kqu s HIS 613 Cb 0.20 -3.80 0.46 0.00 0.04 0.00 0.00 32.58 29.49 3kqu s HIS 613 CO 0.31 -2.51 1.59 -1.35 -2.34 0.00 0.00 174.74 170.44 3kqu h PRO 614 N 4.57 0.02 -0.64 2.88 0.11 -1.99 0.28 132.00 137.23 3kqu h PRO 614 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3kqu h PRO 614 Cb 1.22 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3kqu h PRO 614 CO 0.74 0.02 0.38 0.82 -0.21 0.00 0.00 178.00 179.75 3kqu h ILE 615 N 0.03 1.19 -0.12 4.15 2.04 -1.97 0.16 117.51 122.97 3kqu h ILE 615 Ca 0.45 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3kqu h ILE 615 Cb 0.77 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3kqu h ILE 615 CO -0.85 0.20 0.00 0.74 0.00 0.00 0.00 178.15 178.25 3kqu h THR 616 N 0.87 0.92 -0.92 -0.27 2.02 -0.82 0.11 112.91 114.82 3kqu h THR 616 Ca 0.23 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.43 3kqu h THR 616 Cb -0.01 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3kqu h THR 616 CO -0.04 0.01 0.61 0.11 0.37 0.00 0.00 175.52 176.57 3kqu h LYS 617 N 0.05 1.13 -0.35 6.66 1.57 -0.83 -0.41 116.57 124.40 3kqu h LYS 617 Ca 0.06 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3kqu h LYS 617 Cb 0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3kqu h LYS 617 CO -0.09 0.75 0.10 -0.92 -0.57 0.00 0.00 179.45 178.71 3kqu h TYR 618 N 1.17 0.58 -0.34 -1.35 3.20 0.23 -1.57 116.97 118.88 3kqu h TYR 618 Ca 0.37 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3kqu h TYR 618 Cb 0.00 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3kqu h TYR 618 CO -0.00 0.57 0.18 0.82 -1.64 0.00 0.00 178.16 178.09 3kqu h ILE 619 N 0.41 1.14 -0.77 1.81 1.08 -0.25 -1.01 117.51 119.93 3kqu h ILE 619 Ca 0.11 -0.38 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 3kqu h ILE 619 Cb 0.28 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 3kqu h ILE 619 CO -0.00 0.15 0.44 0.24 -0.69 0.00 0.00 178.15 178.29 3kqu h MET 620 N 0.42 0.76 -0.14 2.37 2.86 -0.91 -0.65 114.93 119.65 3kqu h MET 620 Ca 0.12 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3kqu h MET 620 Cb 0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3kqu h MET 620 CO -0.02 0.51 -0.22 0.00 1.06 0.00 0.00 176.91 178.24 3kqu h ALA 621 N 1.40 1.37 0.00 6.32 0.00 -0.93 -0.69 119.26 126.73 3kqu h ALA 621 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kqu h ALA 621 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kqu h ALA 621 CO -0.20 0.43 -0.20 0.00 0.00 0.00 0.00 179.25 179.28 3kqu h MET 623 N 0.00 0.12 0.00 0.00 2.86 -0.66 -3.34 114.93 113.91 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 0.50 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3kqu h MET 623 CO 0.03 0.87 -0.12 0.77 1.06 0.00 0.00 176.91 179.51 3kqu h SER 624 N 0.03 0.00 0.00 1.22 0.02 -1.07 -3.52 113.55 110.23 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