#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyi s ASN 203 N 0.00 6.37 -0.12 2.55 -0.87 -1.26 -4.94 114.94 116.68 1iyi s ASN 203 Ca 0.00 0.43 -0.02 0.00 -1.57 0.00 0.00 52.86 51.71 1iyi s ASN 203 Cb 0.00 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.25 38.98 1iyi s ASN 203 CO 0.00 -0.11 -0.05 -0.31 -2.57 0.00 0.00 177.10 174.06 1iyi s TYR 204 N 1.57 3.01 -0.18 2.20 1.51 -1.26 -1.86 117.35 122.33 1iyi s TYR 204 Ca 0.17 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 56.07 1iyi s TYR 204 Cb -0.15 -1.85 0.06 0.00 -0.11 0.00 0.00 41.96 39.90 1iyi s TYR 204 CO 0.08 0.14 0.03 0.21 -1.11 0.00 0.00 175.55 174.91 1iyi s LYS 205 N -0.18 0.63 -0.16 -0.62 2.20 -0.71 -0.94 119.74 119.97 1iyi s LYS 205 Ca 0.03 -0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1iyi s LYS 205 Cb -0.13 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.12 1iyi s LYS 205 CO 0.02 -0.62 0.33 -1.17 -0.36 0.00 0.00 175.35 173.55 1iyi s LEU 206 N 1.87 4.23 -0.14 5.43 2.96 0.27 -1.35 118.68 131.96 1iyi s LEU 206 Ca -0.00 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1iyi s LEU 206 Cb -0.17 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 1iyi s LEU 206 CO -0.08 0.06 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.94 1iyi s THR 207 N 0.62 2.44 0.24 3.68 2.01 -0.78 -0.29 115.64 123.57 1iyi s THR 207 Ca 0.18 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 1iyi s THR 207 Cb -0.13 -2.00 0.06 0.00 0.01 0.00 0.00 72.50 70.44 1iyi s THR 207 CO 0.05 0.53 0.93 -0.47 -0.69 0.00 0.00 174.62 174.98 1iyi s TYR 208 N 0.67 0.02 0.93 4.92 5.04 -0.87 -2.53 117.35 125.53 1iyi s TYR 208 Ca -0.09 -0.47 -0.12 0.00 -2.44 0.00 0.00 57.07 53.94 1iyi s TYR 208 Cb -0.16 0.72 0.15 0.00 0.35 0.00 0.00 41.96 43.03 1iyi s TYR 208 CO 0.02 -1.09 1.13 -0.06 -1.34 0.00 0.00 175.55 174.21 1iyi s PHE 209 N -2.59 2.40 -1.28 4.97 0.40 -1.26 -0.71 117.98 119.91 1iyi s PHE 209 Ca 0.17 0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 57.21 1iyi s PHE 209 Cb -0.03 -3.37 0.11 0.00 0.51 0.00 0.00 43.02 40.23 1iyi s PHE 209 CO 0.06 -2.50 1.67 -1.71 0.70 0.00 0.00 175.22 173.45 1iyi n ASN 210 N -3.86 4.98 -3.62 1.36 5.15 -1.21 -4.59 115.26 113.46 1iyi n ASN 210 Ca 0.06 -2.94 -0.05 0.00 -0.60 0.00 0.00 54.58 51.05 1iyi n ASN 210 Cb 0.59 -1.67 -0.02 0.00 -0.53 0.00 0.00 39.78 38.15 1iyi n ASN 210 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iyi s MET 211 N 3.10 0.91 -0.00 1.20 0.23 -1.26 -4.93 119.30 118.55 1iyi s MET 211 Ca 0.49 -0.43 -0.10 0.00 -1.03 0.00 0.00 55.69 54.62 1iyi s MET 211 Cb 0.02 0.36 -0.06 0.00 -1.53 0.00 0.00 34.83 33.62 1iyi s MET 211 CO 0.04 -0.41 0.74 0.00 -2.03 0.00 0.00 175.02 173.36 1iyi h ARG 212 N 2.00 -0.36 0.00 3.16 3.08 -1.38 -3.45 114.38 117.44 1iyi h ARG 212 Ca -0.23 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1iyi h ARG 212 Cb 1.23 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1iyi h ARG 212 CO 0.28 -0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1iyi n GLY 213 N 0.03 1.74 0.00 0.04 0.00 -1.26 -1.48 105.19 104.25 1iyi n GLY 213 Ca -0.05 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1iyi n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyi n ARG 214 N 14.00 0.30 0.07 1.61 1.74 -1.26 -3.39 116.66 129.73 1iyi n ARG 214 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1iyi n ARG 214 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1iyi n ARG 214 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iyi n ALA 215 N -1.35 2.51 -0.33 7.54 0.00 -0.94 -4.40 120.51 123.55 1iyi n ALA 215 Ca 0.12 -0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1iyi n ALA 215 Cb 0.27 -0.99 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1iyi n ALA 215 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1iyi h GLU 216 N 0.00 0.81 -0.97 0.00 4.57 -1.27 -0.62 114.58 117.10 1iyi h GLU 216 Ca -0.03 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1iyi h GLU 216 Cb 1.09 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 29.44 1iyi h GLU 216 CO 0.01 0.54 0.64 0.97 -1.18 0.00 0.00 179.01 179.98 1iyi h ILE 217 N 0.83 1.18 -0.44 2.32 6.09 -1.82 0.19 117.51 125.86 1iyi h ILE 217 Ca 0.50 -0.43 -0.05 0.00 -1.37 0.00 0.00 64.86 63.51 1iyi h ILE 217 Cb 0.68 -0.17 -0.02 0.00 0.47 0.00 0.00 36.82 37.78 1iyi h ILE 217 CO -0.27 0.23 0.08 0.40 -3.07 0.00 0.00 178.15 175.52 1iyi h ILE 218 N 1.25 1.24 -0.48 2.19 2.04 -1.41 -2.00 117.51 120.33 1iyi h ILE 218 Ca 0.38 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1iyi h ILE 218 Cb -0.03 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1iyi h ILE 218 CO -0.11 0.31 0.14 0.03 0.00 0.00 0.00 178.15 178.51 1iyi h ARG 219 N 0.59 0.71 -0.40 2.37 3.08 -0.70 -0.97 114.38 119.07 1iyi h ARG 219 Ca 0.14 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1iyi h ARG 219 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1iyi h ARG 219 CO 0.01 0.63 -0.06 1.88 -1.07 0.00 0.00 179.97 181.36 1iyi h TYR 220 N 0.70 0.83 -0.31 3.04 -1.99 -0.76 -1.63 116.97 116.85 1iyi h TYR 220 Ca 0.16 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1iyi h TYR 220 Cb 0.22 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1iyi h TYR 220 CO 0.01 0.86 0.18 0.82 -0.00 0.00 0.00 178.16 180.03 1iyi h ILE 221 N 0.56 1.11 -0.50 -2.88 2.04 -0.84 0.13 117.51 117.13 1iyi h ILE 221 Ca 0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1iyi h ILE 221 Cb 0.57 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1iyi h ILE 221 CO 0.03 0.11 0.32 -0.26 0.00 0.00 0.00 178.15 178.35 1iyi h PHE 222 N 0.39 0.64 -0.39 1.37 0.05 -1.13 -0.63 116.94 117.25 1iyi h PHE 222 Ca 0.11 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1iyi h PHE 222 Cb 0.02 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.74 1iyi h PHE 222 CO -0.04 0.42 0.19 0.00 -0.18 0.00 0.00 178.31 178.70 1iyi h ALA 223 N 1.16 0.50 -0.68 2.45 0.00 -0.94 -0.45 119.26 121.29 1iyi h ALA 223 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1iyi h ALA 223 Cb -0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1iyi h ALA 223 CO -0.04 0.06 0.18 -0.92 0.00 0.00 0.00 179.25 178.54 1iyi h TYR 224 N 0.49 1.12 -0.01 0.00 3.20 -0.51 -2.60 116.97 118.66 1iyi h TYR 224 Ca 0.13 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1iyi h TYR 224 Cb 0.12 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1iyi h TYR 224 CO -0.01 0.91 -0.05 1.28 -1.64 0.00 0.00 178.16 178.65 1iyi n LEU 225 N -4.24 0.61 -3.51 2.82 4.77 -0.26 -4.94 117.00 112.25 1iyi n LEU 225 Ca 0.05 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.70 1iyi n LEU 225 Cb 0.24 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1iyi n LEU 225 CO 0.42 0.11 0.02 -0.67 -1.33 0.00 0.00 177.39 175.94 1iyi n ASP 226 N -0.65 -2.72 -4.34 -1.43 4.64 -0.31 -4.99 116.55 106.74 1iyi n ASP 226 Ca 0.19 -0.73 -0.33 0.00 -1.38 0.00 0.00 54.79 52.54 1iyi n ASP 226 Cb 0.25 -4.66 -0.15 0.00 -1.04 0.00 0.00 41.12 35.52 1iyi n ASP 226 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1iyi s ILE 227 N -3.48 2.95 0.39 5.18 1.01 -0.46 -5.05 121.20 121.74 1iyi s ILE 227 Ca 0.11 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 1iyi s ILE 227 Cb -0.02 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 1iyi s ILE 227 CO 0.77 0.52 1.03 -1.10 0.00 0.00 0.00 174.94 176.15 1iyi s GLN 228 N 0.50 4.25 0.16 2.79 -1.52 -1.26 -4.66 119.66 119.92 1iyi s GLN 228 Ca -0.09 1.47 -0.23 0.00 -1.95 0.00 0.00 55.36 54.55 1iyi s GLN 228 Cb -0.16 -2.58 0.07 0.00 -0.22 0.00 0.00 33.01 30.12 1iyi s GLN 228 CO 0.04 -0.06 0.65 1.52 -0.25 0.00 0.00 175.29 177.20 1iyi s TYR 229 N -1.67 -0.46 -0.35 0.91 -0.85 -1.26 -4.65 117.35 109.02 1iyi s TYR 229 Ca 0.56 0.22 -0.19 0.00 -0.52 0.00 0.00 57.07 57.14 1iyi s TYR 229 Cb -0.21 0.58 -0.00 0.00 0.38 0.00 0.00 41.96 42.71 1iyi s TYR 229 CO 0.26 -0.88 0.57 -2.00 -1.52 0.00 0.00 175.55 171.98 1iyi s GLU 230 N -3.71 3.67 -1.19 -3.49 2.12 -0.11 -4.98 118.70 111.01 1iyi s GLU 230 Ca 0.03 -0.04 -0.14 0.00 0.36 0.00 0.00 54.97 55.18 1iyi s GLU 230 Cb -0.02 -3.80 0.18 0.00 0.26 0.00 0.00 34.13 30.75 1iyi s GLU 230 CO -0.09 -0.67 1.39 0.34 -0.54 0.00 0.00 175.26 175.69 1iyi s ASP 231 N 1.76 7.08 -0.53 -1.70 3.68 -1.26 -0.57 116.67 125.13 1iyi s ASP 231 Ca 0.21 -3.01 -0.29 0.00 2.13 0.00 0.00 52.55 51.60 1iyi s ASP 231 Cb -0.15 -2.38 0.03 0.00 -1.45 0.00 0.00 42.92 38.96 1iyi s ASP 231 CO 0.14 -0.72 1.21 -2.28 0.13 0.00 0.00 175.17 173.65 1iyi s HIS 232 N 1.38 2.64 -0.26 -5.34 5.65 0.60 -4.99 115.29 114.96 1iyi s HIS 232 Ca 0.41 0.55 -0.08 0.00 0.25 0.00 0.00 55.06 56.19 1iyi s HIS 232 Cb -0.04 -4.46 -0.03 0.00 -1.18 0.00 0.00 32.58 26.87 1iyi s HIS 232 CO -0.01 -1.54 0.10 1.03 -0.65 0.00 0.00 174.74 173.67 1iyi s ARG 233 N 4.82 3.69 0.04 2.88 0.52 -1.26 -2.05 118.95 127.59 1iyi s ARG 233 Ca 0.47 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 1iyi s ARG 233 Cb -0.08 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1iyi s ARG 233 CO 0.29 -0.20 0.20 0.96 0.02 0.00 0.00 175.30 176.56 1iyi s ILE 234 N 1.65 5.40 0.41 1.52 -4.36 0.12 -4.79 121.20 121.14 1iyi s ILE 234 Ca 0.06 -0.33 -0.17 0.00 -0.26 0.00 0.00 60.65 59.95 1iyi s ILE 234 Cb -0.15 -3.61 -0.09 0.00 1.25 0.00 0.00 42.46 39.86 1iyi s ILE 234 CO 0.05 0.19 0.88 -1.61 0.24 0.00 0.00 174.94 174.69 1iyi s GLU 235 N -2.36 4.05 0.31 0.37 0.41 -1.26 -3.36 118.70 116.86 1iyi s GLU 235 Ca 0.33 0.88 0.08 0.00 -0.41 0.00 0.00 54.97 55.86 1iyi s GLU 235 Cb -0.13 -2.27 0.87 0.00 -1.78 0.00 0.00 34.13 30.82 1iyi s GLU 235 CO 0.26 -0.03 1.71 0.37 -0.49 0.00 0.00 175.26 177.07 1iyi h GLN 236 N 1.72 0.46 -0.58 1.61 5.75 -1.99 0.08 115.11 122.15 1iyi h GLN 236 Ca -0.48 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1iyi h GLN 236 Cb 1.18 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 1iyi h GLN 236 CO 0.63 0.30 0.38 0.00 -2.65 0.00 0.00 178.83 177.50 1iyi h ALA 237 N 1.75 1.61 -0.00 3.38 0.00 -2.05 -2.20 119.26 121.75 1iyi h ALA 237 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1iyi h ALA 237 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iyi h ALA 237 CO -0.52 0.35 -0.01 -0.25 0.00 0.00 0.00 179.25 178.82 1iyi n ASP 238 N -4.45 0.09 -0.02 0.00 8.00 0.01 -4.17 116.55 116.01 1iyi n ASP 238 Ca 0.06 -0.56 -0.13 0.00 0.71 0.00 0.00 54.79 54.87 1iyi n ASP 238 Cb 0.07 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 40.93 1iyi n ASP 238 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1iyi h TRP 239 N 0.13 0.05 -0.71 1.24 -0.00 -1.34 -3.28 115.95 112.04 1iyi h TRP 239 Ca 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.02 1iyi h TRP 239 Cb 0.19 -0.01 -0.13 0.00 -0.00 0.00 0.00 29.16 29.21 1iyi h TRP 239 CO 0.00 0.50 -0.15 -1.35 -0.00 0.00 0.00 178.44 177.44 1iyi h PRO 240 N -0.41 0.02 0.00 2.65 0.11 -1.76 0.17 132.00 132.78 1iyi h PRO 240 Ca 0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1iyi h PRO 240 Cb 0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1iyi h PRO 240 CO 0.00 0.01 -0.29 0.93 -0.21 0.00 0.00 178.00 178.44 1iyi h GLU 241 N 0.02 0.00 0.13 1.05 5.08 -1.85 -2.96 114.58 116.05 1iyi h GLU 241 Ca 0.35 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1iyi h GLU 241 Cb 0.54 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.81 1iyi h GLU 241 CO -0.71 0.29 -0.83 0.82 -1.00 0.00 0.00 179.01 177.58 1iyi h ILE 242 N 0.00 1.47 -1.01 3.13 2.04 -1.29 -3.33 117.51 118.52 1iyi h ILE 242 Ca -0.00 -2.51 0.23 0.00 1.00 0.00 0.00 64.86 63.58 1iyi h ILE 242 Cb 0.74 3.15 -0.10 0.00 -0.74 0.00 0.00 36.82 39.87 1iyi h ILE 242 CO 0.04 0.70 0.63 0.50 0.00 0.00 0.00 178.15 180.02 1iyi h LYS 243 N -0.42 0.54 0.00 2.37 3.64 -0.63 0.19 116.57 122.26 1iyi h LYS 243 Ca -0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1iyi h LYS 243 Cb 1.61 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1iyi h LYS 243 CO 0.13 0.35 0.00 -1.13 -2.27 0.00 0.00 179.45 176.53 1iyi n SER 244 N -4.71 0.00 -0.39 4.20 3.41 -1.12 -2.70 113.62 112.30 1iyi n SER 244 Ca 0.24 0.46 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 1iyi n SER 244 Cb 0.73 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1iyi n SER 244 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iyi n THR 245 N -1.48 0.00 -3.56 6.66 -2.24 0.67 -4.96 114.28 109.37 1iyi n THR 245 Ca 0.05 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 1iyi n THR 245 Cb 0.21 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 1iyi n THR 245 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iyi s LEU 246 N -2.38 4.37 0.31 3.22 1.02 -1.10 -5.00 118.68 119.13 1iyi s LEU 246 Ca 0.15 0.72 0.07 0.00 0.02 0.00 0.00 54.13 55.10 1iyi s LEU 246 Cb 0.16 -2.44 0.84 0.00 0.02 0.00 0.00 46.19 44.77 1iyi s LEU 246 CO 0.54 0.24 1.70 -0.65 0.02 0.00 0.00 176.35 178.20 1iyi h PRO 247 N 5.53 0.43 -0.02 1.29 0.11 -1.93 -2.52 132.00 134.89 1iyi h PRO 247 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1iyi h PRO 247 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1iyi h PRO 247 CO 0.66 0.29 0.00 1.19 -0.21 0.00 0.00 178.00 179.93 1iyi n PHE 248 N -5.00 0.03 -3.09 0.65 3.01 -1.26 -5.03 117.46 106.77 1iyi n PHE 248 Ca 0.25 -0.37 -0.22 0.00 1.01 0.00 0.00 57.45 58.12 1iyi n PHE 248 Cb 0.74 -0.04 0.02 0.00 -0.01 0.00 0.00 39.48 40.19 1iyi n PHE 248 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iyi n GLY 249 N -0.29 -0.51 3.13 1.37 0.00 -0.95 -5.00 105.19 102.95 1iyi n GLY 249 Ca 0.01 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1iyi n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iyi s LYS 250 N -5.75 0.74 0.23 1.61 -0.14 -1.26 -4.94 119.74 110.22 1iyi s LYS 250 Ca 0.31 -1.22 0.07 0.00 -1.36 0.00 0.00 55.97 53.77 1iyi s LYS 250 Cb -0.15 -0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 35.83 1iyi s LYS 250 CO 0.38 -0.03 -0.10 0.96 -0.76 0.00 0.00 175.35 175.81 1iyi s ILE 251 N -3.35 1.63 0.77 2.17 -4.36 -1.26 -4.60 121.20 112.20 1iyi s ILE 251 Ca 0.07 -2.16 -0.11 0.00 -0.26 0.00 0.00 60.65 58.20 1iyi s ILE 251 Cb 0.04 -2.22 0.06 0.00 1.25 0.00 0.00 42.46 41.59 1iyi s ILE 251 CO -0.05 -0.47 1.09 -2.16 0.24 0.00 0.00 174.94 173.60 1iyi s PRO 252 N -3.70 2.25 0.07 0.37 0.04 -1.26 -4.95 135.00 127.82 1iyi s PRO 252 Ca 0.25 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1iyi s PRO 252 Cb 0.02 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1iyi s PRO 252 CO 0.09 -1.65 -0.09 0.96 0.04 0.00 0.00 177.00 176.35 1iyi s ILE 253 N -2.88 0.74 -0.13 0.56 -4.36 -1.05 -3.69 121.20 110.38 1iyi s ILE 253 Ca 0.61 -1.45 -0.01 0.00 -0.26 0.00 0.00 60.65 59.54 1iyi s ILE 253 Cb -0.17 -1.11 0.04 0.00 1.25 0.00 0.00 42.46 42.47 1iyi s ILE 253 CO 0.56 -0.53 -0.02 -0.22 0.24 0.00 0.00 174.94 174.97 1iyi s LEU 254 N -2.18 1.08 -0.09 0.37 2.96 0.37 -1.86 118.68 119.33 1iyi s LEU 254 Ca 0.00 -0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 53.26 1iyi s LEU 254 Cb -0.04 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 1iyi s LEU 254 CO -0.01 -0.21 0.61 -1.61 -1.32 0.00 0.00 176.35 173.81 1iyi s GLU 255 N 1.82 4.39 -0.22 1.98 2.02 -0.45 -0.61 118.70 127.63 1iyi s GLU 255 Ca 0.03 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1iyi s GLU 255 Cb -0.14 -3.44 0.06 0.00 0.10 0.00 0.00 34.13 30.70 1iyi s GLU 255 CO -0.07 0.10 -0.05 0.08 0.02 0.00 0.00 175.26 175.34 1iyi s VAL 256 N 0.74 1.41 -1.43 2.63 1.01 0.12 -1.74 120.40 123.15 1iyi s VAL 256 Ca 0.33 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1iyi s VAL 256 Cb -0.17 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1iyi s VAL 256 CO 0.15 -0.06 0.35 0.47 0.00 0.00 0.00 175.10 176.00 1iyi n ASP 257 N 4.72 -0.10 0.00 3.32 10.43 -0.78 -1.19 116.55 132.96 1iyi n ASP 257 Ca -0.12 -1.05 0.00 0.00 2.57 0.00 0.00 54.79 56.19 1iyi n ASP 257 Cb 0.45 -2.80 0.00 0.00 1.84 0.00 0.00 41.12 40.60 1iyi n ASP 257 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iyi n GLY 258 N -2.09 2.40 3.64 0.44 0.00 -1.26 -5.02 105.19 103.30 1iyi n GLY 258 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1iyi n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iyi s LEU 259 N 0.00 3.66 -0.13 0.99 1.43 -0.33 -5.09 118.68 119.21 1iyi s LEU 259 Ca 0.00 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1iyi s LEU 259 Cb 0.00 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1iyi s LEU 259 CO 0.00 0.27 0.41 -0.89 0.23 0.00 0.00 176.35 176.37 1iyi s THR 260 N -0.20 5.23 0.11 5.49 2.01 -1.26 0.13 115.64 127.14 1iyi s THR 260 Ca 0.06 0.80 0.07 0.00 0.31 0.00 0.00 61.69 62.93 1iyi s THR 260 Cb -0.12 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1iyi s THR 260 CO 0.02 0.35 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.46 1iyi s LEU 261 N 0.58 3.12 0.33 4.42 1.43 0.22 -4.95 118.68 123.83 1iyi s LEU 261 Ca 0.22 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1iyi s LEU 261 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1iyi s LEU 261 CO 0.08 0.17 0.16 -1.38 0.23 0.00 0.00 176.35 175.61 1iyi s HIS 262 N -1.26 1.66 -0.03 0.29 -3.43 -1.26 -0.48 115.29 110.78 1iyi s HIS 262 Ca 0.22 -1.37 -0.02 0.00 -0.80 0.00 0.00 55.06 53.09 1iyi s HIS 262 Cb -0.11 -0.91 0.01 0.00 -1.43 0.00 0.00 32.58 30.13 1iyi s HIS 262 CO 0.15 -0.50 0.04 1.04 -2.00 0.00 0.00 174.74 173.47 1iyi n GLN 263 N -0.65 -1.57 -0.29 -0.38 1.13 -1.24 -4.29 117.38 110.09 1iyi n GLN 263 Ca 0.00 1.50 0.11 0.00 -1.94 0.00 0.00 57.00 56.67 1iyi n GLN 263 Cb 0.65 -2.09 0.27 0.00 0.11 0.00 0.00 30.24 29.17 1iyi n GLN 263 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1iyi h SER 264 N 1.33 0.03 0.55 1.08 4.64 -1.86 -0.09 113.55 119.24 1iyi h SER 264 Ca -0.10 0.18 -0.20 0.00 -0.47 0.00 0.00 61.79 61.21 1iyi h SER 264 Cb 0.22 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1iyi h SER 264 CO 0.00 -0.11 -0.86 -0.07 -0.87 0.00 0.00 176.83 174.91 1iyi h LEU 265 N 0.24 0.27 -0.44 5.97 3.38 -1.90 -0.17 115.31 122.66 1iyi h LEU 265 Ca 0.52 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 1iyi h LEU 265 Cb 1.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1iyi h LEU 265 CO -0.61 1.01 -0.07 0.00 0.09 0.00 0.00 178.44 178.86 1iyi h ALA 266 N 0.97 0.61 -0.36 1.53 0.00 -1.56 -0.69 119.26 119.76 1iyi h ALA 266 Ca -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1iyi h ALA 266 Cb 1.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1iyi h ALA 266 CO 0.13 0.46 0.06 0.82 0.00 0.00 0.00 179.25 180.72 1iyi h ILE 267 N 0.66 1.24 -0.53 0.00 2.04 -0.99 -1.30 117.51 118.63 1iyi h ILE 267 Ca 0.12 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1iyi h ILE 267 Cb 0.59 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1iyi h ILE 267 CO 0.04 0.28 0.27 0.00 0.00 0.00 0.00 178.15 178.73 1iyi h ALA 268 N 0.91 0.68 -0.57 1.87 0.00 -0.82 -0.86 119.26 120.47 1iyi h ALA 268 Ca 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1iyi h ALA 268 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1iyi h ALA 268 CO 0.01 -0.09 0.19 -0.09 0.00 0.00 0.00 179.25 179.28 1iyi h ARG 269 N 0.51 0.87 -0.30 0.00 2.43 -0.96 -2.14 114.38 114.79 1iyi h ARG 269 Ca 0.24 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1iyi h ARG 269 Cb 0.16 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1iyi h ARG 269 CO -0.17 0.77 0.06 -0.92 -1.51 0.00 0.00 179.97 178.20 1iyi h TYR 270 N 0.79 0.10 0.00 2.20 3.20 -0.50 -1.67 116.97 121.08 1iyi h TYR 270 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1iyi h TYR 270 Cb 0.25 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1iyi h TYR 270 CO 0.01 0.02 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.35 1iyi h LEU 271 N 0.17 0.00 -0.16 2.82 3.38 -0.97 -2.91 115.31 117.64 1iyi h LEU 271 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iyi h LEU 271 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iyi h LEU 271 CO -0.18 0.14 -0.62 0.35 0.09 0.00 0.00 178.44 178.22 1iyi n THR 272 N -3.39 0.00 -1.67 0.22 -2.24 -0.83 -4.86 114.28 101.52 1iyi n THR 272 Ca -0.01 -0.04 -0.47 0.00 -2.27 0.00 0.00 64.05 61.27 1iyi n THR 272 Cb 0.33 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 1iyi n THR 272 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iyi n LYS 273 N -1.25 2.13 -1.17 -0.78 4.01 -0.68 -1.31 118.16 119.11 1iyi n LYS 273 Ca 0.06 0.77 -0.06 0.00 -0.51 0.00 0.00 58.31 58.57 1iyi n LYS 273 Cb 0.35 -2.55 -0.03 0.00 -0.51 0.00 0.00 35.03 32.29 1iyi n LYS 273 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1iyi n ASN 274 N 4.03 -4.14 -4.65 4.39 3.02 -1.26 -5.02 115.26 111.63 1iyi n ASN 274 Ca 0.18 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.61 1iyi n ASN 274 Cb 0.29 -2.17 -0.10 0.00 -0.61 0.00 0.00 39.78 37.19 1iyi n ASN 274 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1iyi s THR 275 N -2.08 2.11 -2.00 3.41 -4.23 -0.43 -5.01 115.64 107.41 1iyi s THR 275 Ca 0.00 -1.93 0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1iyi s THR 275 Cb 0.00 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 71.22 1iyi s THR 275 CO 0.00 -0.02 1.27 -0.90 -0.54 0.00 0.00 174.62 174.43 1iyi n ASP 276 N -1.03 0.00 0.02 3.99 3.85 -1.26 -2.87 116.55 119.25 1iyi n ASP 276 Ca -0.04 -1.02 0.11 0.00 -0.71 0.00 0.00 54.79 53.13 1iyi n ASP 276 Cb 0.66 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.37 1iyi n ASP 276 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1iyi n LEU 277 N -0.78 0.49 -0.10 -2.12 4.77 -1.26 -4.50 117.00 113.50 1iyi n LEU 277 Ca 0.09 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1iyi n LEU 277 Cb 0.04 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1iyi n LEU 277 CO 0.07 0.02 0.58 0.00 -1.33 0.00 0.00 177.39 176.73 1iyi h ALA 278 N 2.34 0.67 0.00 -1.18 0.00 -1.64 -1.91 119.26 117.54 1iyi h ALA 278 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1iyi h ALA 278 Cb 0.83 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1iyi h ALA 278 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1iyi n GLY 279 N 0.05 4.60 0.10 0.00 0.00 -1.26 -4.52 105.19 104.15 1iyi n GLY 279 Ca -0.02 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.97 1iyi n GLY 279 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iyi h ASN 280 N 0.00 0.00 -5.47 1.61 2.35 -1.91 -3.45 115.58 108.71 1iyi h ASN 280 Ca 0.00 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 1iyi h ASN 280 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.23 1iyi h ASN 280 CO 0.00 0.02 -0.51 0.42 -1.65 0.00 0.00 177.43 175.70 1iyi s THR 281 N -3.12 0.02 0.11 2.81 -4.23 -1.26 -5.03 115.64 104.95 1iyi s THR 281 Ca 0.10 -1.83 -0.23 0.00 -1.18 0.00 0.00 61.69 58.55 1iyi s THR 281 Cb 0.12 -2.31 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 1iyi s THR 281 CO 0.62 -0.11 1.70 -0.33 -0.54 0.00 0.00 174.62 175.96 1iyi h GLU 282 N 2.59 -0.16 -0.39 3.99 4.39 -1.99 -0.14 114.58 122.87 1iyi h GLU 282 Ca -0.34 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 1iyi h GLU 282 Cb 1.24 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 1iyi h GLU 282 CO 0.51 -0.10 -0.15 0.52 -1.16 0.00 0.00 179.01 178.62 1iyi h MET 283 N -0.16 0.72 -0.05 2.33 2.86 -1.99 -2.18 114.93 116.46 1iyi h MET 283 Ca 0.04 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1iyi h MET 283 Cb 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1iyi h MET 283 CO -0.11 0.83 -0.37 0.93 1.06 0.00 0.00 176.91 179.26 1iyi h GLU 284 N 0.65 0.09 -0.08 1.72 5.08 -1.90 0.91 114.58 121.05 1iyi h GLU 284 Ca 0.11 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1iyi h GLU 284 Cb 0.62 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1iyi h GLU 284 CO 0.04 0.45 -0.38 1.96 -1.00 0.00 0.00 179.01 180.08 1iyi h GLN 285 N 0.08 0.17 -0.29 2.33 4.20 -0.59 0.11 115.11 121.12 1iyi h GLN 285 Ca 0.01 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1iyi h GLN 285 Cb 0.69 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1iyi h GLN 285 CO 0.05 0.53 -0.35 0.00 -0.67 0.00 0.00 178.83 178.39 1iyi h HIS 287 N 0.49 0.72 0.14 0.00 3.86 -0.32 0.13 115.15 120.17 1iyi h HIS 287 Ca 0.04 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1iyi h HIS 287 Cb 0.93 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1iyi h HIS 287 CO 0.07 0.66 -0.07 0.28 0.86 0.00 0.00 177.93 179.73 1iyi h VAL 288 N 0.66 0.91 -0.61 2.45 2.07 -0.62 -0.20 116.25 120.91 1iyi h VAL 288 Ca 0.14 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1iyi h VAL 288 Cb 0.35 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1iyi h VAL 288 CO 0.01 0.05 0.35 0.44 0.02 0.00 0.00 177.57 178.44 1iyi h ASP 289 N -0.28 0.54 -0.45 0.57 3.32 -0.96 -1.65 116.42 117.50 1iyi h ASP 289 Ca -0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1iyi h ASP 289 Cb 0.22 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1iyi h ASP 289 CO 0.03 0.36 0.18 0.00 -1.72 0.00 0.00 179.24 178.09 1iyi h ALA 290 N 1.30 0.58 -0.47 3.45 0.00 -0.51 -0.24 119.26 123.38 1iyi h ALA 290 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1iyi h ALA 290 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1iyi h ALA 290 CO -0.15 0.19 0.13 0.82 0.00 0.00 0.00 179.25 180.25 1iyi h ILE 291 N 0.58 1.23 -0.41 0.00 1.08 -0.81 -0.82 117.51 118.36 1iyi h ILE 291 Ca 0.15 -0.78 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 1iyi h ILE 291 Cb 0.20 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1iyi h ILE 291 CO -0.01 0.28 0.27 0.58 -0.69 0.00 0.00 178.15 178.58 1iyi h VAL 292 N 0.63 1.10 -0.34 1.67 2.07 -1.09 -1.71 116.25 118.58 1iyi h VAL 292 Ca 0.15 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1iyi h VAL 292 Cb 0.29 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1iyi h VAL 292 CO -0.00 0.10 -0.13 0.44 0.02 0.00 0.00 177.57 178.00 1iyi h ASP 293 N 0.55 0.58 -0.53 0.57 3.45 -0.85 -0.06 116.42 120.14 1iyi h ASP 293 Ca 0.15 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1iyi h ASP 293 Cb -0.06 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 1iyi h ASP 293 CO -0.04 0.74 0.22 0.74 -1.57 0.00 0.00 179.24 179.33 1iyi h THR 294 N 0.54 1.21 -0.40 0.35 2.02 -0.76 0.29 112.91 116.16 1iyi h THR 294 Ca 0.10 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1iyi h THR 294 Cb 0.54 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1iyi h THR 294 CO 0.03 0.25 -0.07 -0.07 0.37 0.00 0.00 175.52 176.03 1iyi h LEU 295 N 0.71 0.76 -0.83 2.58 3.38 -1.08 -2.77 115.31 118.05 1iyi h LEU 295 Ca 0.18 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1iyi h LEU 295 Cb 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1iyi h LEU 295 CO -0.02 0.93 0.40 -0.78 0.09 0.00 0.00 178.44 179.06 1iyi h ASP 296 N 0.57 1.08 -0.59 -0.43 3.58 -0.63 -1.28 116.42 118.72 1iyi h ASP 296 Ca 0.11 -0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.47 1iyi h ASP 296 Cb 0.58 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1iyi h ASP 296 CO 0.03 0.91 0.33 0.44 -2.88 0.00 0.00 179.24 178.07 1iyi h ASP 297 N 1.18 0.49 -0.05 2.28 3.45 -0.30 -0.49 116.42 122.98 1iyi h ASP 297 Ca 0.29 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.76 1iyi h ASP 297 Cb 0.11 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1iyi h ASP 297 CO -0.04 0.33 -0.02 0.15 -1.57 0.00 0.00 179.24 178.09 1iyi h PHE 298 N 0.62 0.11 -0.69 4.55 3.57 -1.17 -2.95 116.94 120.98 1iyi h PHE 298 Ca 0.26 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.83 1iyi h PHE 298 Cb 0.14 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1iyi h PHE 298 CO -0.08 0.47 0.46 0.52 -2.23 0.00 0.00 178.31 177.45 1iyi h MET 299 N -0.29 0.53 0.00 1.11 2.86 -1.04 0.36 114.93 118.46 1iyi h MET 299 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1iyi h MET 299 Cb 0.44 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1iyi h MET 299 CO 0.01 0.35 0.00 0.77 1.06 0.00 0.00 176.91 179.10 1iyi h SER 300 N 0.55 0.00 0.66 1.22 0.02 -0.94 -2.91 113.55 112.13 1iyi h SER 300 Ca 0.32 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1iyi h SER 300 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1iyi h SER 300 CO -0.11 0.00 -0.28 0.00 -1.14 0.00 0.00 176.83 175.30 1iyi s PHE 302 N -3.86 3.45 -1.49 0.00 0.40 -1.10 -4.93 117.98 110.45 1iyi s PHE 302 Ca -0.01 1.57 -0.12 0.00 -0.60 0.00 0.00 56.93 57.78 1iyi s PHE 302 Cb 0.12 -3.39 0.02 0.00 0.51 0.00 0.00 43.02 40.28 1iyi s PHE 302 CO 0.66 -0.94 2.44 -0.35 0.70 0.00 0.00 175.22 177.73 1iyi n PRO 303 N 1.53 3.35 -0.28 0.24 -0.04 -1.26 -4.79 135.00 133.75 1iyi n PRO 303 Ca 0.01 -2.64 0.15 0.00 -0.04 0.00 0.00 63.50 60.99 1iyi n PRO 303 Cb 0.44 -3.04 0.43 0.00 -0.04 0.00 0.00 33.50 31.29 1iyi n PRO 303 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iyi h TRP 304 N 5.54 0.75 -0.40 0.54 4.06 -1.92 -2.07 115.95 122.45 1iyi h TRP 304 Ca 0.66 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.63 1iyi h TRP 304 Cb 0.50 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1iyi h TRP 304 CO 1.59 0.22 0.00 0.00 -3.56 0.00 0.00 178.44 176.68 1iyi n ALA 305 N -2.45 2.44 -1.68 1.49 0.00 -1.26 -4.97 120.51 114.08 1iyi n ALA 305 Ca 0.20 -0.91 -0.45 0.00 0.00 0.00 0.00 53.44 52.27 1iyi n ALA 305 Cb 0.60 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1iyi n ALA 305 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iyi n GLU 306 N 1.19 2.44 -0.07 0.00 4.07 -0.78 -4.90 120.64 122.59 1iyi n GLU 306 Ca 0.19 0.89 -0.13 0.00 -0.06 0.00 0.00 57.16 58.05 1iyi n GLU 306 Cb 0.52 -2.74 -0.06 0.00 -0.06 0.00 0.00 31.44 29.11 1iyi n GLU 306 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1iyi h LYS 307 N 8.16 0.51 -6.43 5.31 6.56 -1.93 -3.42 116.57 125.33 1iyi h LYS 307 Ca -0.47 -0.26 -0.57 0.00 -1.06 0.00 0.00 60.65 58.29 1iyi h LYS 307 Cb 1.25 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.86 1iyi h LYS 307 CO 0.93 0.83 1.01 0.15 -2.06 0.00 0.00 179.45 180.31 1iyi s LYS 308 N -4.38 3.79 0.17 3.15 1.02 -1.26 -4.92 119.74 117.31 1iyi s LYS 308 Ca -0.13 1.13 -0.12 0.00 0.02 0.00 0.00 55.97 56.86 1iyi s LYS 308 Cb 0.07 -3.94 0.08 0.00 -0.52 0.00 0.00 37.83 33.52 1iyi s LYS 308 CO 0.78 -1.29 1.74 0.37 -0.92 0.00 0.00 175.35 176.04 1iyi h GLN 309 N 9.82 0.88 -0.48 1.68 5.75 -1.99 -1.29 115.11 129.48 1iyi h GLN 309 Ca -0.27 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1iyi h GLN 309 Cb 1.10 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.48 1iyi h GLN 309 CO 1.05 0.74 0.28 0.38 -2.65 0.00 0.00 178.83 178.63 1iyi h ASP 310 N 0.82 0.58 -0.24 -0.69 3.04 -1.98 0.27 116.42 118.23 1iyi h ASP 310 Ca 0.20 -0.07 -0.02 0.00 -3.24 0.00 0.00 57.03 53.91 1iyi h ASP 310 Cb 0.17 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1iyi h ASP 310 CO -0.02 0.48 0.09 0.58 -2.04 0.00 0.00 179.24 178.33 1iyi h VAL 311 N 0.64 1.18 0.26 4.15 2.07 -1.95 -1.96 116.25 120.64 1iyi h VAL 311 Ca 0.17 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1iyi h VAL 311 Cb 0.01 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1iyi h VAL 311 CO -0.03 0.18 -0.35 0.50 0.02 0.00 0.00 177.57 177.89 1iyi h LYS 312 N 0.23 -0.65 -0.98 1.57 3.64 -0.92 -1.90 116.57 117.56 1iyi h LYS 312 Ca 0.08 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1iyi h LYS 312 Cb 0.20 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1iyi h LYS 312 CO -0.01 -0.43 0.63 1.49 -2.27 0.00 0.00 179.45 178.86 1iyi h GLU 313 N -0.67 1.07 -0.40 1.90 4.81 -0.92 -0.68 114.58 119.69 1iyi h GLU 313 Ca -0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1iyi h GLU 313 Cb 0.64 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1iyi h GLU 313 CO -0.12 0.71 0.21 0.37 -0.73 0.00 0.00 179.01 179.45 1iyi h GLN 314 N 1.10 0.57 -0.45 1.92 5.75 -1.06 -0.54 115.11 122.40 1iyi h GLN 314 Ca 0.44 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.76 1iyi h GLN 314 Cb 0.25 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1iyi h GLN 314 CO -0.20 0.47 -0.16 1.98 -2.65 0.00 0.00 178.83 178.27 1iyi h MET 315 N 0.52 0.86 0.00 1.69 4.05 -0.79 -1.03 114.93 120.23 1iyi h MET 315 Ca 0.14 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1iyi h MET 315 Cb 0.07 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1iyi h MET 315 CO -0.02 0.96 -0.01 0.74 0.23 0.00 0.00 176.91 178.80 1iyi h PHE 316 N 0.76 -0.03 -0.76 1.39 -1.00 -0.87 0.07 116.94 116.50 1iyi h PHE 316 Ca 0.11 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1iyi h PHE 316 Cb 0.69 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.22 1iyi h PHE 316 CO 0.04 -0.02 0.41 -0.91 -1.61 0.00 0.00 178.31 176.22 1iyi h ASN 317 N -0.03 0.95 -0.34 2.17 2.35 -0.91 -0.47 115.58 119.29 1iyi h ASN 317 Ca 0.00 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1iyi h ASN 317 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1iyi h ASN 317 CO -0.01 0.76 -0.17 -0.33 -1.65 0.00 0.00 177.43 176.03 1iyi h GLU 318 N 1.07 0.71 -0.63 0.81 5.08 -0.89 -1.63 114.58 119.10 1iyi h GLU 318 Ca 0.27 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1iyi h GLU 318 Cb 0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1iyi h GLU 318 CO -0.04 0.92 0.18 -0.07 -1.00 0.00 0.00 179.01 179.00 1iyi h LEU 319 N 0.49 0.92 -0.97 1.33 3.38 -0.65 0.56 115.31 120.37 1iyi h LEU 319 Ca 0.07 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1iyi h LEU 319 Cb 0.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1iyi h LEU 319 CO 0.05 0.90 -0.36 -0.07 0.09 0.00 0.00 178.44 179.04 1iyi h LEU 320 N 0.91 0.00 0.03 1.67 -0.00 -1.04 0.33 115.31 117.21 1iyi h LEU 320 Ca 0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.76 1iyi h LEU 320 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.93 1iyi h LEU 320 CO -0.00 0.36 -1.80 0.41 -0.00 0.00 0.00 178.44 177.41 1iyi n THR 321 N -3.54 1.58 0.03 0.22 -1.04 -0.62 -4.18 114.28 106.72 1iyi n THR 321 Ca -0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1iyi n THR 321 Cb 0.50 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.03 1iyi n THR 321 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1iyi n TYR 322 N -4.10 0.93 -0.08 -1.42 0.53 0.17 -4.56 117.16 108.62 1iyi n TYR 322 Ca -0.38 0.31 -0.15 0.00 -1.02 0.00 0.00 57.90 56.65 1iyi n TYR 322 Cb 0.83 -1.07 -0.06 0.00 -1.03 0.00 0.00 39.34 38.01 1iyi n TYR 322 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1iyi n ASN 323 N -2.86 1.73 -0.25 7.72 3.02 -0.76 -4.72 115.26 119.14 1iyi n ASN 323 Ca -0.10 0.10 0.05 0.00 -0.03 0.00 0.00 54.58 54.61 1iyi n ASN 323 Cb 0.84 -0.41 0.18 0.00 -0.61 0.00 0.00 39.78 39.79 1iyi n ASN 323 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iyi h ALA 324 N -0.39 1.01 -0.91 5.41 0.00 -1.12 -2.18 119.26 121.07 1iyi h ALA 324 Ca -0.40 0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.85 1iyi h ALA 324 Cb 1.43 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1iyi h ALA 324 CO -0.19 -0.27 0.45 -1.35 0.00 0.00 0.00 179.25 177.90 1iyi h PRO 325 N 0.37 0.49 -0.54 0.00 0.11 -1.80 0.13 132.00 130.76 1iyi h PRO 325 Ca 0.41 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.45 1iyi h PRO 325 Cb 0.66 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1iyi h PRO 325 CO -0.44 0.33 0.16 0.45 -0.21 0.00 0.00 178.00 178.28 1iyi h HIS 326 N 0.51 0.87 -0.28 0.65 3.86 -1.68 -0.93 115.15 118.15 1iyi h HIS 326 Ca 0.55 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.61 1iyi h HIS 326 Cb 0.99 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 1iyi h HIS 326 CO -0.09 0.75 -0.06 1.25 0.86 0.00 0.00 177.93 180.63 1iyi h LEU 327 N 0.75 0.54 -0.89 2.43 5.85 -1.15 -1.39 115.31 121.44 1iyi h LEU 327 Ca 0.17 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1iyi h LEU 327 Cb 0.29 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1iyi h LEU 327 CO -0.00 0.77 0.58 0.24 -0.34 0.00 0.00 178.44 179.68 1iyi h MET 328 N 0.30 1.08 -0.38 1.25 2.86 -0.65 0.67 114.93 120.07 1iyi h MET 328 Ca 0.07 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1iyi h MET 328 Cb 0.53 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1iyi h MET 328 CO 0.03 0.72 0.05 0.37 1.06 0.00 0.00 176.91 179.13 1iyi h GLN 329 N 1.12 0.63 -0.52 1.72 5.75 -1.03 -0.55 115.11 122.22 1iyi h GLN 329 Ca 0.36 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1iyi h GLN 329 Cb 0.01 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1iyi h GLN 329 CO -0.12 0.70 0.30 -0.44 -2.65 0.00 0.00 178.83 176.62 1iyi h ASP 330 N 0.47 0.64 -0.70 -0.69 3.32 -0.62 -0.09 116.42 118.75 1iyi h ASP 330 Ca 0.11 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1iyi h ASP 330 Cb 0.38 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1iyi h ASP 330 CO 0.01 0.53 0.30 -0.07 -1.72 0.00 0.00 179.24 178.28 1iyi h LEU 331 N 0.70 0.95 -0.25 1.55 3.38 -0.76 -0.08 115.31 120.80 1iyi h LEU 331 Ca 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iyi h LEU 331 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1iyi h LEU 331 CO -0.03 0.85 0.10 -0.78 0.09 0.00 0.00 178.44 178.67 1iyi h ASP 332 N 0.99 0.34 -0.39 -0.43 -0.00 -0.68 -0.06 116.42 116.18 1iyi h ASP 332 Ca 0.23 -0.15 -0.07 0.00 -0.00 0.00 0.00 57.03 57.05 1iyi h ASP 332 Cb 0.18 -0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.40 1iyi h ASP 332 CO -0.02 0.40 0.02 0.74 -0.00 0.00 0.00 179.24 180.38 1iyi h THR 333 N 0.25 1.23 -0.34 2.25 2.02 -0.85 -0.85 112.91 116.62 1iyi h THR 333 Ca 0.08 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1iyi h THR 333 Cb 0.16 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1iyi h THR 333 CO -0.01 0.33 0.10 0.22 0.37 0.00 0.00 175.52 176.53 1iyi h TYR 334 N 0.72 0.57 -0.34 3.16 3.20 -0.66 -3.01 116.97 120.60 1iyi h TYR 334 Ca 0.15 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1iyi h TYR 334 Cb 0.41 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1iyi h TYR 334 CO 0.02 0.57 -0.22 1.25 -1.64 0.00 0.00 178.16 178.14 1iyi h LEU 335 N 0.40 0.67 0.00 2.82 5.85 -0.75 -3.48 115.31 120.83 1iyi h LEU 335 Ca 0.11 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1iyi h LEU 335 Cb 0.28 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1iyi h LEU 335 CO -0.00 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 179.59 1iyi n GLY 336 N -0.31 2.59 1.56 3.75 0.00 -0.35 -1.95 105.19 110.48 1iyi n GLY 336 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1iyi n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iyi n GLY 337 N 0.00 2.56 3.86 -0.02 0.00 -1.26 -4.97 105.19 105.35 1iyi n GLY 337 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1iyi n GLY 337 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iyi s ARG 338 N -2.10 3.66 0.05 1.61 0.52 -0.82 -5.00 118.95 116.86 1iyi s ARG 338 Ca 0.46 0.84 -0.21 0.00 -0.52 0.00 0.00 55.73 56.31 1iyi s ARG 338 Cb 0.32 -2.09 -0.13 0.00 0.52 0.00 0.00 34.95 33.57 1iyi s ARG 338 CO 0.19 -0.52 1.40 0.93 0.02 0.00 0.00 175.30 177.31 1iyi h GLU 339 N 0.06 0.33 -5.85 3.54 5.08 -1.88 -3.46 114.58 112.39 1iyi h GLU 339 Ca -0.45 -0.15 -0.57 0.00 -1.00 0.00 0.00 59.36 57.19 1iyi h GLU 339 Cb 1.19 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1iyi h GLU 339 CO 0.61 0.65 -0.70 -1.58 -1.00 0.00 0.00 179.01 177.00 1iyi s TRP 340 N -4.54 2.22 0.18 4.33 0.52 -1.26 -4.86 118.94 115.53 1iyi s TRP 340 Ca -0.14 -0.52 -0.13 0.00 0.02 0.00 0.00 56.10 55.32 1iyi s TRP 340 Cb 0.05 -1.19 0.09 0.00 -1.15 0.00 0.00 33.47 31.27 1iyi s TRP 340 CO 0.74 0.52 1.84 -0.07 0.02 0.00 0.00 176.95 180.00 1iyi h LEU 341 N 2.17 0.63 -8.00 2.99 3.38 -1.89 -3.42 115.31 111.18 1iyi h LEU 341 Ca -0.41 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.02 1iyi h LEU 341 Cb 1.25 -0.15 -0.34 0.00 0.09 0.00 0.00 40.66 41.51 1iyi h LEU 341 CO 0.67 0.46 -0.82 -0.63 0.09 0.00 0.00 178.44 178.20 1iyi s ILE 342 N -6.15 1.22 0.00 1.22 1.09 -1.26 -4.87 121.20 112.46 1iyi s ILE 342 Ca -0.13 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1iyi s ILE 342 Cb 0.13 -1.11 0.00 0.00 -1.06 0.00 0.00 42.46 40.42 1iyi s ILE 342 CO 0.75 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 176.58 1iyi n GLY 343 N 3.86 -0.64 0.79 6.18 0.00 -1.26 -4.27 105.19 109.85 1iyi n GLY 343 Ca -0.22 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1iyi n GLY 343 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1iyi n MET 344 N 0.00 1.75 -4.22 1.61 0.00 -1.26 -4.54 117.12 110.46 1iyi n MET 344 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 57.70 55.85 1iyi n MET 344 Cb 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 33.22 31.75 1iyi n MET 344 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1iyi s SER 345 N -1.45 0.82 0.42 3.17 1.04 -1.26 -4.92 113.70 111.53 1iyi s SER 345 Ca 0.24 -1.25 -0.25 0.00 0.48 0.00 0.00 55.95 55.17 1iyi s SER 345 Cb 0.16 0.21 -0.08 0.00 0.10 0.00 0.00 66.02 66.41 1iyi s SER 345 CO 0.23 -0.68 1.24 0.54 0.98 0.00 0.00 173.24 175.56 1iyi s VAL 346 N -3.85 2.84 0.32 5.02 0.11 -1.26 -4.76 120.40 118.82 1iyi s VAL 346 Ca 0.28 0.70 0.03 0.00 -2.93 0.00 0.00 61.98 60.06 1iyi s VAL 346 Cb 0.07 -3.39 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 1iyi s VAL 346 CO 0.06 0.06 0.11 0.42 -3.33 0.00 0.00 175.10 172.42 1iyi s THR 347 N -1.36 0.68 -1.42 5.04 -4.23 -1.26 -4.48 115.64 108.60 1iyi s THR 347 Ca 0.59 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.28 1iyi s THR 347 Cb -0.34 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.21 1iyi s THR 347 CO 0.43 0.00 1.51 -2.67 -0.54 0.00 0.00 174.62 173.35 1iyi n TRP 348 N -0.64 0.00 -0.01 3.99 4.27 -0.72 -1.95 117.44 122.38 1iyi n TRP 348 Ca -0.02 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.48 1iyi n TRP 348 Cb 0.66 -0.29 0.01 0.00 -1.36 0.00 0.00 31.31 30.33 1iyi n TRP 348 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iyi h ALA 349 N 2.81 0.56 -0.34 -1.67 0.00 -1.87 -0.60 119.26 118.16 1iyi h ALA 349 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1iyi h ALA 349 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1iyi h ALA 349 CO 0.00 0.70 -0.25 -0.44 0.00 0.00 0.00 179.25 179.26 1iyi h ASP 350 N 0.46 0.69 -0.26 0.00 5.19 -1.80 -0.96 116.42 119.74 1iyi h ASP 350 Ca -0.01 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1iyi h ASP 350 Cb 1.20 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1iyi h ASP 350 CO 0.12 0.92 0.13 -0.26 -3.12 0.00 0.00 179.24 177.04 1iyi h PHE 351 N 0.59 0.37 -0.28 4.55 -1.00 -1.47 -1.68 116.94 118.03 1iyi h PHE 351 Ca 0.08 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1iyi h PHE 351 Cb 0.74 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 1iyi h PHE 351 CO 0.03 0.34 -0.02 -0.92 -1.61 0.00 0.00 178.31 176.13 1iyi h TYR 352 N 0.30 0.43 -0.23 -0.55 3.20 -0.77 -0.21 116.97 119.15 1iyi h TYR 352 Ca 0.09 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1iyi h TYR 352 Cb 0.10 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1iyi h TYR 352 CO -0.03 0.45 0.02 2.35 -1.64 0.00 0.00 178.16 179.31 1iyi h TRP 353 N 0.41 0.42 -0.68 -3.82 -0.00 -0.79 0.32 115.95 111.81 1iyi h TRP 353 Ca 0.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 1iyi h TRP 353 Cb 0.30 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 29.32 1iyi h TRP 353 CO 0.01 0.54 0.36 1.49 -0.00 0.00 0.00 178.44 180.84 1iyi h GLU 354 N 0.17 0.96 -0.04 2.65 4.22 -0.86 0.43 114.58 122.11 1iyi h GLU 354 Ca 0.07 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 1iyi h GLU 354 Cb 0.37 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1iyi h GLU 354 CO 0.01 0.73 0.01 0.82 -2.18 0.00 0.00 179.01 178.40 1iyi h ILE 355 N 0.94 1.19 -0.35 2.32 2.04 -0.91 -1.55 117.51 121.19 1iyi h ILE 355 Ca 0.24 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1iyi h ILE 355 Cb 0.07 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1iyi h ILE 355 CO -0.04 0.16 0.10 0.00 0.00 0.00 0.00 178.15 178.38 1iyi h SER 357 N 0.42 0.28 -0.49 0.00 4.64 -0.92 -1.49 113.55 115.99 1iyi h SER 357 Ca 0.11 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1iyi h SER 357 Cb 0.26 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1iyi h SER 357 CO -0.00 0.47 0.29 0.74 -0.87 0.00 0.00 176.83 177.46 1iyi h THR 358 N 0.27 1.05 -0.23 2.95 2.02 -1.08 0.50 112.91 118.39 1iyi h THR 358 Ca 0.05 -0.20 -0.19 0.00 0.77 0.00 0.00 66.41 66.84 1iyi h THR 358 Cb 0.46 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1iyi h THR 358 CO 0.03 0.11 -0.60 0.74 0.37 0.00 0.00 175.52 176.17 1iyi h THR 359 N 0.58 1.29 -0.65 3.16 2.02 -1.31 -3.13 112.91 114.87 1iyi h THR 359 Ca 0.20 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.51 1iyi h THR 359 Cb 0.02 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1iyi h THR 359 CO -0.09 0.58 0.17 -0.07 0.37 0.00 0.00 175.52 176.47 1iyi h LEU 360 N 0.58 0.96 -2.42 2.58 3.38 -1.00 -2.28 115.31 117.11 1iyi h LEU 360 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1iyi h LEU 360 Cb 1.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1iyi h LEU 360 CO 0.12 0.92 -0.03 -0.07 0.09 0.00 0.00 178.44 179.48 1iyi h LEU 361 N 0.98 0.00 -0.56 1.67 3.38 -0.86 0.54 115.31 120.45 1iyi h LEU 361 Ca 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1iyi h LEU 361 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1iyi h LEU 361 CO -0.00 0.03 0.10 0.58 0.09 0.00 0.00 178.44 179.24 1iyi h VAL 362 N 0.00 1.25 0.00 1.22 2.07 -1.35 -2.76 116.25 116.68 1iyi h VAL 362 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1iyi h VAL 362 Cb 0.10 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1iyi h VAL 362 CO 0.00 0.34 -0.96 0.49 0.02 0.00 0.00 177.57 177.46 1iyi n PHE 363 N -4.36 0.24 -3.21 1.57 3.01 -0.70 -4.63 117.46 109.39 1iyi n PHE 363 Ca 0.02 0.07 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 1iyi n PHE 363 Cb 0.26 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.25 1iyi n PHE 363 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1iyi n LYS 364 N -1.91 0.37 -0.26 -1.08 3.00 0.10 -5.00 118.16 113.37 1iyi n LYS 364 Ca 0.02 -2.90 0.26 0.00 -0.00 0.00 0.00 58.31 55.70 1iyi n LYS 364 Cb 0.42 -1.55 0.61 0.00 0.00 0.00 0.00 35.03 34.52 1iyi n LYS 364 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1iyi h PRO 365 N 5.16 0.21 -0.55 1.64 0.11 -1.74 -0.38 132.00 136.44 1iyi h PRO 365 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1iyi h PRO 365 Cb 0.95 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1iyi h PRO 365 CO 0.32 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1iyi n ASP 366 N -4.42 3.02 -0.31 -2.05 3.85 -1.26 -4.54 116.55 110.85 1iyi n ASP 366 Ca 0.22 -2.12 0.16 0.00 -0.71 0.00 0.00 54.79 52.34 1iyi n ASP 366 Cb 0.92 -0.40 0.35 0.00 -1.35 0.00 0.00 41.12 40.65 1iyi n ASP 366 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1iyi h LEU 367 N 2.94 0.15 -3.19 -2.12 5.85 -1.43 -2.10 115.31 115.40 1iyi h LEU 367 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1iyi h LEU 367 Cb 0.84 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1iyi h LEU 367 CO 0.07 -0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.19 1iyi n LEU 368 N -5.18 4.02 0.30 2.25 4.77 -1.26 -4.63 117.00 117.27 1iyi n LEU 368 Ca 0.25 -2.70 0.16 0.00 -0.03 0.00 0.00 56.01 53.70 1iyi n LEU 368 Cb 0.78 -0.50 0.93 0.00 -2.33 0.00 0.00 43.42 42.31 1iyi n LEU 368 CO 0.07 0.70 1.09 0.44 -1.33 0.00 0.00 177.39 178.37 1iyi h ASP 369 N 2.45 0.00 -0.22 -1.43 5.19 -1.69 -0.75 116.42 119.97 1iyi h ASP 369 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1iyi h ASP 369 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1iyi h ASP 369 CO 0.21 0.03 0.00 0.59 -3.12 0.00 0.00 179.24 176.95 1iyi n ASN 370 N -3.57 3.24 -3.23 6.45 5.03 -1.26 -4.64 115.26 117.28 1iyi n ASN 370 Ca -0.03 -1.99 -0.24 0.00 0.87 0.00 0.00 54.58 53.19 1iyi n ASN 370 Cb 0.13 -0.13 -0.07 0.00 -1.02 0.00 0.00 39.78 38.70 1iyi n ASN 370 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1iyi n HIS 371 N 1.42 0.86 -0.10 3.10 8.25 -0.29 -4.95 115.22 123.52 1iyi n HIS 371 Ca 0.17 -3.76 0.16 0.00 -0.26 0.00 0.00 57.72 54.03 1iyi n HIS 371 Cb 0.60 -0.41 0.56 0.00 1.12 0.00 0.00 29.99 31.85 1iyi n HIS 371 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1iyi h PRO 372 N 3.85 0.29 -0.26 -0.41 0.13 -1.83 -0.95 132.00 132.82 1iyi h PRO 372 Ca 0.11 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.18 1iyi h PRO 372 Cb 0.82 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1iyi h PRO 372 CO 0.57 0.19 -0.03 0.00 -0.23 0.00 0.00 178.00 178.50 1iyi h ARG 373 N 0.29 0.40 0.00 0.86 3.08 -1.92 0.15 114.38 117.23 1iyi h ARG 373 Ca 0.31 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 1iyi h ARG 373 Cb 0.81 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1iyi h ARG 373 CO -0.07 0.45 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.62 1iyi h LEU 374 N 0.38 0.00 -0.18 3.04 3.38 -1.55 -2.11 115.31 118.26 1iyi h LEU 374 Ca 0.08 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1iyi h LEU 374 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1iyi h LEU 374 CO 0.01 0.59 -0.81 0.58 0.09 0.00 0.00 178.44 178.89 1iyi h VAL 375 N 0.00 1.30 -0.86 1.22 2.07 -1.04 -2.65 116.25 116.30 1iyi h VAL 375 Ca -0.01 -2.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.44 1iyi h VAL 375 Cb 1.18 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1iyi h VAL 375 CO 0.08 0.64 0.44 0.74 0.02 0.00 0.00 177.57 179.49 1iyi h THR 376 N 0.47 1.26 -0.46 2.57 2.02 -0.59 -1.83 112.91 116.35 1iyi h THR 376 Ca -0.06 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1iyi h THR 376 Cb 1.43 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1iyi h THR 376 CO 0.16 0.30 0.26 0.25 0.37 0.00 0.00 175.52 176.86 1iyi h LEU 377 N 1.21 0.56 -0.57 2.58 6.46 -1.30 -1.02 115.31 123.24 1iyi h LEU 377 Ca 0.30 -0.08 0.06 0.00 -0.12 0.00 0.00 57.88 58.04 1iyi h LEU 377 Cb 0.07 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 1iyi h LEU 377 CO -0.04 0.48 0.28 0.03 -0.62 0.00 0.00 178.44 178.56 1iyi h ARG 378 N 0.60 0.51 -0.35 1.25 3.08 -1.06 -1.91 114.38 116.50 1iyi h ARG 378 Ca 0.16 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1iyi h ARG 378 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1iyi h ARG 378 CO -0.03 0.34 -0.04 0.87 -1.07 0.00 0.00 179.97 180.04 1iyi h LYS 379 N 0.52 0.56 -0.29 0.04 1.57 -0.86 -0.87 116.57 117.24 1iyi h LYS 379 Ca 0.26 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1iyi h LYS 379 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1iyi h LYS 379 CO -0.20 0.62 0.13 0.87 -0.57 0.00 0.00 179.45 180.30 1iyi h LYS 380 N 0.53 0.42 -0.42 3.15 1.79 -0.47 -0.44 116.57 121.14 1iyi h LYS 380 Ca 0.11 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1iyi h LYS 380 Cb 0.40 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1iyi h LYS 380 CO 0.02 0.41 0.11 0.28 -1.08 0.00 0.00 179.45 179.20 1iyi h VAL 381 N 0.33 1.23 0.00 0.50 2.07 -1.09 -2.34 116.25 116.94 1iyi h VAL 381 Ca 0.10 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1iyi h VAL 381 Cb 0.14 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1iyi h VAL 381 CO -0.01 0.27 0.00 1.56 0.02 0.00 0.00 177.57 179.41 1iyi h GLN 382 N 0.54 0.00 0.00 1.57 4.20 -0.97 -2.49 115.11 117.96 1iyi h GLN 382 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1iyi h GLN 382 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1iyi h GLN 382 CO -0.00 0.00 -0.62 0.00 -0.67 0.00 0.00 178.83 177.54 1iyi h ALA 383 N 2.14 0.62 -2.21 3.87 0.00 -0.52 -3.31 119.26 119.85 1iyi h ALA 383 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1iyi h ALA 383 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1iyi h ALA 383 CO 0.00 0.00 1.30 0.42 0.00 0.00 0.00 179.25 180.97 1iyi s ILE 384 N -3.21 3.08 0.19 0.00 1.01 -0.94 -4.78 121.20 116.55 1iyi s ILE 384 Ca 0.05 0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.65 1iyi s ILE 384 Cb 0.12 -3.08 0.18 0.00 0.01 0.00 0.00 42.46 39.69 1iyi s ILE 384 CO 0.72 -0.03 1.28 -2.65 0.00 0.00 0.00 174.94 174.27 1iyi n PRO 385 N 7.92 -0.20 -0.04 2.79 -0.02 -1.26 0.12 135.00 144.31 1iyi n PRO 385 Ca 0.23 1.27 -0.03 0.00 -2.02 0.00 0.00 63.50 62.95 1iyi n PRO 385 Cb 0.43 -1.88 0.22 0.00 -0.02 0.00 0.00 33.50 32.24 1iyi n PRO 385 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iyi h ALA 386 N 1.09 1.18 -0.06 3.55 0.00 -1.89 -1.06 119.26 122.07 1iyi h ALA 386 Ca 0.28 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1iyi h ALA 386 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1iyi h ALA 386 CO -0.82 0.52 -0.30 0.28 0.00 0.00 0.00 179.25 178.94 1iyi h VAL 387 N 0.57 1.44 -0.76 0.00 2.07 -1.23 -2.60 116.25 115.73 1iyi h VAL 387 Ca 0.11 -1.73 0.11 0.00 0.82 0.00 0.00 66.70 66.00 1iyi h VAL 387 Cb 0.48 2.38 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 1iyi h VAL 387 CO 0.03 0.49 0.39 0.00 0.02 0.00 0.00 177.57 178.50 1iyi h ALA 388 N 0.41 1.08 -0.72 1.67 0.00 -0.15 0.11 119.26 121.67 1iyi h ALA 388 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1iyi h ALA 388 Cb 0.96 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1iyi h ALA 388 CO 0.06 -0.03 0.35 -0.97 0.00 0.00 0.00 179.25 178.66 1iyi h ASN 389 N 0.64 0.93 -0.09 0.00 -1.24 -1.20 -1.51 115.58 113.11 1iyi h ASN 389 Ca 0.38 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1iyi h ASN 389 Cb 0.43 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 1iyi h ASN 389 CO -0.29 0.80 -0.00 -0.25 -1.29 0.00 0.00 177.43 176.40 1iyi h TRP 390 N 1.00 0.18 -0.94 0.67 2.91 -0.81 -2.03 115.95 116.94 1iyi h TRP 390 Ca 0.25 -0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.36 1iyi h TRP 390 Cb 0.11 -0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 28.64 1iyi h TRP 390 CO 0.01 0.44 0.60 0.82 -1.03 0.00 0.00 178.44 179.27 1iyi h ILE 391 N -0.12 0.90 -0.00 2.65 2.04 -0.68 0.13 117.51 122.44 1iyi h ILE 391 Ca 0.03 -0.30 -0.18 0.00 1.00 0.00 0.00 64.86 65.40 1iyi h ILE 391 Cb 0.37 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1iyi h ILE 391 CO 0.01 0.16 -0.83 0.50 0.00 0.00 0.00 178.15 177.98 1iyi h LYS 392 N 0.87 0.12 0.00 2.37 3.64 -1.14 -3.34 116.57 119.09 1iyi h LYS 392 Ca 0.46 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1iyi h LYS 392 Cb 0.54 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1iyi h LYS 392 CO -0.23 0.88 -1.48 0.54 -2.27 0.00 0.00 179.45 176.90 1iyi n ARG 393 N -3.64 0.54 -1.49 1.90 1.74 -0.77 -4.98 116.66 109.95 1iyi n ARG 393 Ca -0.02 -0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 1iyi n ARG 393 Cb 0.78 -1.62 0.09 0.00 -1.02 0.00 0.00 32.46 30.70 1iyi n ARG 393 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1iyi s ARG 394 N -3.39 2.20 0.33 5.56 1.70 0.40 -4.91 118.95 120.84 1iyi s ARG 394 Ca -0.03 1.86 -0.29 0.00 -0.47 0.00 0.00 55.73 56.80 1iyi s ARG 394 Cb 0.13 -1.83 -0.11 0.00 -0.57 0.00 0.00 34.95 32.57 1iyi s ARG 394 CO 0.85 -1.81 1.57 -2.30 -1.08 0.00 0.00 175.30 172.53 1iyi n PRO 395 N -2.53 2.72 -2.81 3.89 -0.02 -1.26 -4.92 135.00 130.07 1iyi n PRO 395 Ca 0.14 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 62.16 1iyi n PRO 395 Cb 0.50 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 1iyi n PRO 395 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1iyi s GLN 396 N -1.09 3.83 0.15 -0.52 -0.21 -1.26 -4.94 119.66 115.62 1iyi s GLN 396 Ca 0.60 0.55 0.05 0.00 0.02 0.00 0.00 55.36 56.59 1iyi s GLN 396 Cb -0.48 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 29.68 1iyi s GLN 396 CO 0.54 -0.96 -0.12 0.95 -2.12 0.00 0.00 175.29 173.58 1iyi s THR 397 N 3.48 1.33 0.04 -0.19 -4.23 -1.26 -5.07 115.64 109.73 1iyi s THR 397 Ca 0.38 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.61 1iyi s THR 397 Cb -0.12 -1.81 -0.17 0.00 1.34 0.00 0.00 72.50 71.74 1iyi s THR 397 CO 0.19 -0.64 1.42 0.50 -0.54 0.00 0.00 174.62 175.55 1iyi h LYS 398 N 2.91 -0.43 -0.02 3.99 1.63 -1.95 -3.47 116.57 119.24 1iyi h LYS 398 Ca -0.38 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1iyi h LYS 398 Cb 1.20 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1iyi h LYS 398 CO 0.60 -0.16 0.00 1.28 -3.45 0.00 0.00 179.45 177.72