#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it3 s ILE 202 N 0.00 3.87 0.09 4.25 1.01 -1.26 -4.66 121.20 124.49 1it3 s ILE 202 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 60.37 1it3 s ILE 202 Cb 0.00 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1it3 s ILE 202 CO 0.00 0.53 -0.26 -0.63 0.00 0.00 0.00 174.94 174.58 1it3 s ILE 203 N -0.01 2.25 -0.08 2.92 1.09 -1.26 -5.04 121.20 121.07 1it3 s ILE 203 Ca 0.01 -1.57 0.12 0.00 -1.10 0.00 0.00 60.65 58.10 1it3 s ILE 203 Cb -0.13 -1.94 0.18 0.00 -1.06 0.00 0.00 42.46 39.50 1it3 s ILE 203 CO 0.03 0.22 1.08 -0.90 -0.10 0.00 0.00 174.94 175.26 1it3 n ASP 204 N 1.30 2.06 -3.56 3.58 3.85 -1.26 -4.11 116.55 118.41 1it3 n ASP 204 Ca -0.17 -2.64 -0.13 0.00 -0.71 0.00 0.00 54.79 51.14 1it3 n ASP 204 Cb 0.52 -0.27 -0.04 0.00 -1.35 0.00 0.00 41.12 39.98 1it3 n ASP 204 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1it3 s GLN 205 N -2.07 1.09 0.00 0.11 -0.21 -1.26 -4.26 119.66 113.06 1it3 s GLN 205 Ca 0.19 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1it3 s GLN 205 Cb 0.17 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.68 1it3 s GLN 205 CO 0.02 -0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 1it3 n GLY 206 N 0.12 0.53 3.66 3.09 0.00 -1.26 -5.00 105.19 106.34 1it3 n GLY 206 Ca -0.18 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 1it3 n GLY 206 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1it3 n PRO 207 N -0.23 1.75 -2.13 1.61 -0.02 -1.26 -4.88 135.00 129.84 1it3 n PRO 207 Ca 0.00 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 1it3 n PRO 207 Cb 0.00 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 1it3 n PRO 207 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1it3 s LEU 208 N -0.94 4.00 1.46 2.45 2.96 -1.26 -5.01 118.68 122.34 1it3 s LEU 208 Ca 0.60 1.73 -0.24 0.00 -0.22 0.00 0.00 54.13 56.00 1it3 s LEU 208 Cb -0.56 -3.53 0.38 0.00 0.50 0.00 0.00 46.19 42.97 1it3 s LEU 208 CO 0.59 -1.15 0.91 -2.16 -1.32 0.00 0.00 176.35 173.23 1it3 s PRO 209 N 4.44 -3.24 -0.05 0.98 0.04 -1.26 -5.03 135.00 130.88 1it3 s PRO 209 Ca 0.70 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1it3 s PRO 209 Cb -0.26 -1.35 0.03 0.00 0.04 0.00 0.00 34.50 32.96 1it3 s PRO 209 CO 0.28 -5.06 0.03 0.99 0.04 0.00 0.00 177.00 173.27 1it3 s THR 210 N -2.24 0.11 0.23 1.26 2.01 -1.26 -4.97 115.64 110.77 1it3 s THR 210 Ca 0.69 0.24 -0.32 0.00 0.31 0.00 0.00 61.69 62.61 1it3 s THR 210 Cb -0.11 -0.29 -0.12 0.00 0.01 0.00 0.00 72.50 71.99 1it3 s THR 210 CO 0.57 0.19 1.69 -0.76 -0.69 0.00 0.00 174.62 175.62 1it3 s LEU 211 N 1.75 4.36 0.20 4.42 1.02 -1.26 -4.99 118.68 124.18 1it3 s LEU 211 Ca 0.00 2.88 -0.02 0.00 0.02 0.00 0.00 54.13 57.02 1it3 s LEU 211 Cb -0.13 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.43 1it3 s LEU 211 CO -0.03 -0.96 0.40 -0.89 0.02 0.00 0.00 176.35 174.89 1it3 s THR 212 N 0.91 5.18 0.30 5.49 2.01 -1.26 -4.92 115.64 123.34 1it3 s THR 212 Ca 0.72 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1it3 s THR 212 Cb -0.49 -3.72 0.31 0.00 0.01 0.00 0.00 72.50 68.62 1it3 s THR 212 CO 0.36 -0.15 1.65 0.44 -0.69 0.00 0.00 174.62 176.22 1it3 h ASP 213 N 2.10 0.07 0.24 3.53 3.45 -1.99 0.70 116.42 124.53 1it3 h ASP 213 Ca -0.48 0.20 -0.10 0.00 0.43 0.00 0.00 57.03 57.08 1it3 h ASP 213 Cb 1.19 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 40.19 1it3 h ASP 213 CO 0.69 -0.15 -0.40 1.23 -1.57 0.00 0.00 179.24 179.04 1it3 h GLY 214 N 0.23 0.23 0.89 2.75 0.00 -1.99 -0.56 103.07 104.62 1it3 h GLY 214 Ca 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1it3 h GLY 214 CO -0.65 0.19 0.08 -0.55 0.00 0.00 0.00 176.54 175.61 1it3 h ASP 215 N 0.18 0.40 -0.91 0.19 3.32 -0.07 -1.32 116.42 118.22 1it3 h ASP 215 Ca 0.02 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1it3 h ASP 215 Cb 0.79 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1it3 h ASP 215 CO 0.06 0.51 0.56 0.11 -1.72 0.00 0.00 179.24 178.76 1it3 h LYS 216 N 0.27 1.23 0.11 3.56 1.57 -0.57 -0.54 116.57 122.20 1it3 h LYS 216 Ca 0.09 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1it3 h LYS 216 Cb 0.26 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1it3 h LYS 216 CO -0.00 0.85 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.45 1it3 h LYS 217 N 1.25 -0.17 -0.38 3.15 3.64 -0.78 -1.94 116.57 121.34 1it3 h LYS 217 Ca 0.33 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1it3 h LYS 217 Cb -0.07 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1it3 h LYS 217 CO -0.06 -0.11 -0.14 0.00 -2.27 0.00 0.00 179.45 176.87 1it3 h ALA 218 N 0.72 1.05 -0.33 5.00 0.00 -1.03 -2.76 119.26 121.90 1it3 h ALA 218 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1it3 h ALA 218 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1it3 h ALA 218 CO 0.01 0.58 -0.02 0.82 0.00 0.00 0.00 179.25 180.64 1it3 h ILE 219 N 0.62 1.27 -0.02 0.00 2.04 -0.95 -2.87 117.51 117.59 1it3 h ILE 219 Ca 0.10 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1it3 h ILE 219 Cb 0.59 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1it3 h ILE 219 CO 0.04 0.33 0.00 0.59 0.00 0.00 0.00 178.15 179.11 1it3 n ASN 220 N -4.50 0.24 0.01 1.72 3.02 -0.74 -1.52 115.26 113.48 1it3 n ASN 220 Ca -0.02 -1.50 0.11 0.00 -0.03 0.00 0.00 54.58 53.14 1it3 n ASN 220 Cb 0.29 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.30 1it3 n ASN 220 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1it3 n LYS 221 N -0.61 0.65 -0.06 3.52 4.81 -1.05 -4.58 118.16 120.84 1it3 n LYS 221 Ca 0.13 -0.14 -0.09 0.00 -0.87 0.00 0.00 58.31 57.34 1it3 n LYS 221 Cb 0.10 -1.57 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 1it3 n LYS 221 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1it3 n ILE 222 N -2.34 0.76 0.03 3.15 5.41 -1.13 -4.81 119.36 120.42 1it3 n ILE 222 Ca -0.04 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.29 1it3 n ILE 222 Cb 0.58 -0.95 -0.05 0.00 -0.71 0.00 0.00 39.64 38.51 1it3 n ILE 222 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1it3 h TRP 223 N 0.00 -1.01 -0.91 1.39 -0.00 -1.52 -3.14 115.95 110.76 1it3 h TRP 223 Ca -0.29 0.04 0.17 0.00 -0.00 0.00 0.00 58.89 58.81 1it3 h TRP 223 Cb 1.48 0.45 -0.17 0.00 -0.00 0.00 0.00 29.16 30.92 1it3 h TRP 223 CO 0.01 -0.44 -0.25 -2.30 -0.00 0.00 0.00 178.44 175.47 1it3 n PRO 224 N -5.43 -0.10 -0.08 2.65 -0.02 -1.26 0.00 135.00 130.75 1it3 n PRO 224 Ca -0.04 1.41 -0.14 0.00 -2.02 0.00 0.00 63.50 62.71 1it3 n PRO 224 Cb 0.34 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1it3 n PRO 224 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1it3 h LYS 225 N 0.00 0.88 -0.81 -0.52 3.64 -1.90 -2.99 116.57 114.86 1it3 h LYS 225 Ca 0.42 -0.53 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1it3 h LYS 225 Cb 0.64 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1it3 h LYS 225 CO -0.93 1.17 0.53 0.82 -2.27 0.00 0.00 179.45 178.77 1it3 h ILE 226 N 0.69 1.16 0.00 2.00 1.08 -0.64 -1.86 117.51 119.94 1it3 h ILE 226 Ca 0.03 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1it3 h ILE 226 Cb 1.11 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1it3 h ILE 226 CO 0.11 0.19 0.00 0.00 -0.69 0.00 0.00 178.15 177.76 1it3 n TYR 227 N -4.56 0.49 -0.03 1.37 9.36 0.10 -2.69 117.16 121.21 1it3 n TYR 227 Ca 0.09 0.18 -0.16 0.00 3.32 0.00 0.00 57.90 61.33 1it3 n TYR 227 Cb 0.06 -0.80 -0.09 0.00 -0.63 0.00 0.00 39.34 37.88 1it3 n TYR 227 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1it3 h LYS 228 N 0.00 0.49 -1.23 2.98 3.64 -1.20 -3.03 116.57 118.23 1it3 h LYS 228 Ca 0.00 -0.41 -0.32 0.00 -1.27 0.00 0.00 60.65 58.66 1it3 h LYS 228 Cb 0.38 0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 32.13 1it3 h LYS 228 CO 0.00 1.04 0.41 0.39 -2.27 0.00 0.00 179.45 179.02 1it3 n GLU 229 N -4.25 1.78 0.13 1.90 4.71 -1.09 -4.60 120.64 119.21 1it3 n GLU 229 Ca -0.08 -1.66 0.19 0.00 -0.01 0.00 0.00 57.16 55.60 1it3 n GLU 229 Cb 0.59 -1.65 0.77 0.00 -1.01 0.00 0.00 31.44 30.14 1it3 n GLU 229 CO 0.00 0.00 0.00 0.10 0.09 0.00 0.00 177.13 177.32 1it3 h TYR 230 N 1.02 0.00 0.06 -0.32 -0.00 -1.48 -0.57 116.97 115.69 1it3 h TYR 230 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 59.06 1it3 h TYR 230 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.18 1it3 h TYR 230 CO 0.86 0.00 -0.03 1.49 -0.00 0.00 0.00 178.16 180.48 1it3 h GLU 231 N 0.00 -0.08 -0.58 0.10 4.57 -1.88 -2.74 114.58 113.97 1it3 h GLU 231 Ca 0.16 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1it3 h GLU 231 Cb 0.85 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1it3 h GLU 231 CO -0.00 0.43 0.15 0.37 -1.18 0.00 0.00 179.01 178.78 1it3 h GLN 232 N -0.94 0.92 0.23 1.92 4.15 -1.88 -2.94 115.11 116.57 1it3 h GLN 232 Ca -0.01 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1it3 h GLN 232 Cb 0.55 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1it3 h GLN 232 CO 0.01 0.85 -0.11 1.88 -1.93 0.00 0.00 178.83 179.53 1it3 h TYR 233 N 0.83 -0.28 -0.83 3.99 -1.99 -1.25 -2.30 116.97 115.12 1it3 h TYR 233 Ca 0.18 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.92 1it3 h TYR 233 Cb 0.34 0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 1it3 h TYR 233 CO 0.02 0.01 0.55 0.66 -0.00 0.00 0.00 178.16 179.41 1it3 h SER 234 N -0.57 0.94 0.01 3.88 4.64 -1.56 -1.22 113.55 119.67 1it3 h SER 234 Ca -0.03 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1it3 h SER 234 Cb 0.42 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1it3 h SER 234 CO 0.05 0.67 -0.00 0.25 -0.87 0.00 0.00 176.83 176.93 1it3 h LEU 235 N 1.11 -0.01 -1.67 5.97 6.46 -1.54 -2.60 115.31 123.02 1it3 h LEU 235 Ca 0.31 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1it3 h LEU 235 Cb -0.09 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 1it3 h LEU 235 CO -0.07 0.37 0.24 0.78 -0.62 0.00 0.00 178.44 179.14 1it3 h ASN 236 N -0.39 0.38 -0.05 1.25 2.35 -1.17 -1.49 115.58 116.46 1it3 h ASN 236 Ca -0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1it3 h ASN 236 Cb 0.39 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1it3 h ASN 236 CO 0.00 0.27 -0.00 0.40 -1.65 0.00 0.00 177.43 176.45 1it3 h ILE 237 N 0.45 1.25 -0.19 2.81 2.04 -1.11 -2.66 117.51 120.10 1it3 h ILE 237 Ca 0.14 -0.77 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 1it3 h ILE 237 Cb 0.01 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1it3 h ILE 237 CO -0.03 0.21 -0.35 0.25 0.00 0.00 0.00 178.15 178.23 1it3 h LEU 238 N -0.21 0.42 -0.05 1.44 5.85 -1.14 -2.72 115.31 118.91 1it3 h LEU 238 Ca 0.01 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1it3 h LEU 238 Cb 0.33 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1it3 h LEU 238 CO 0.00 0.74 0.01 -0.07 -0.34 0.00 0.00 178.44 178.78 1it3 h LEU 239 N 0.35 0.08 -0.68 2.25 3.38 -1.28 -1.17 115.31 118.24 1it3 h LEU 239 Ca 0.04 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1it3 h LEU 239 Cb 0.78 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1it3 h LEU 239 CO 0.06 0.30 0.36 -0.09 0.09 0.00 0.00 178.44 179.16 1it3 h ARG 240 N -0.15 0.63 -0.16 1.13 2.43 -1.45 -0.07 114.38 116.74 1it3 h ARG 240 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1it3 h ARG 240 Cb 0.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1it3 h ARG 240 CO 0.00 0.41 0.08 0.35 -1.51 0.00 0.00 179.97 179.30 1it3 h PHE 241 N 0.65 0.23 -0.46 2.20 3.57 -1.33 -1.82 116.94 119.98 1it3 h PHE 241 Ca 0.31 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 1it3 h PHE 241 Cb 0.25 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1it3 h PHE 241 CO -0.09 0.26 0.02 -0.07 -2.23 0.00 0.00 178.31 176.20 1it3 h LEU 242 N 0.13 0.71 -1.13 0.59 3.38 -0.84 0.78 115.31 118.92 1it3 h LEU 242 Ca 0.05 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1it3 h LEU 242 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1it3 h LEU 242 CO -0.01 0.77 -0.41 0.50 0.09 0.00 0.00 178.44 179.38 1it3 h LYS 243 N 0.71 0.00 0.10 1.13 3.64 -0.90 -2.11 116.57 119.13 1it3 h LYS 243 Ca 0.14 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.22 1it3 h LYS 243 Cb 0.41 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1it3 h LYS 243 CO 0.01 0.41 -1.57 0.00 -2.27 0.00 0.00 179.45 176.03 1it3 n PHE 245 N -3.39 2.10 -0.06 0.00 3.01 0.22 -4.92 117.46 114.42 1it3 n PHE 245 Ca -0.17 -3.91 0.25 0.00 1.01 0.00 0.00 57.45 54.63 1it3 n PHE 245 Cb 1.04 -0.46 0.71 0.00 -0.01 0.00 0.00 39.48 40.75 1it3 n PHE 245 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1it3 h PRO 246 N 3.64 0.00 0.00 -1.08 0.11 -1.60 0.46 132.00 133.53 1it3 h PRO 246 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1it3 h PRO 246 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1it3 h PRO 246 CO 0.68 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 177.91 1it3 h GLN 247 N 0.00 0.00 0.00 1.05 -0.00 -1.91 -0.82 115.11 113.43 1it3 h GLN 247 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1it3 h GLN 247 Cb 1.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.05 1it3 h GLN 247 CO -0.00 0.00 -0.79 0.00 -0.00 0.00 0.00 178.83 178.03 1it3 h ALA 248 N 2.11 0.60 -0.10 0.06 0.00 -0.42 -3.34 119.26 118.17 1it3 h ALA 248 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1it3 h ALA 248 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1it3 h ALA 248 CO 0.00 0.00 0.08 0.37 0.00 0.00 0.00 179.25 179.70 1it3 h GLN 249 N 0.00 0.00 0.00 0.00 4.15 -1.22 -1.78 115.11 116.25 1it3 h GLN 249 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1it3 h GLN 249 Cb 0.99 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1it3 h GLN 249 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.90 1it3 h ALA 250 N 1.94 1.00 0.00 3.38 0.00 -1.70 -2.73 119.26 121.15 1it3 h ALA 250 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1it3 h ALA 250 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1it3 h ALA 250 CO -0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1it3 n SER 251 N -2.92 0.38 -4.13 0.00 7.64 -0.67 -4.16 113.62 109.77 1it3 n SER 251 Ca 0.01 0.56 -0.37 0.00 1.01 0.00 0.00 58.87 60.08 1it3 n SER 251 Cb 0.31 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1it3 n SER 251 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1it3 s PHE 252 N -3.11 3.74 -1.79 1.43 0.40 -1.03 -4.94 117.98 112.67 1it3 s PHE 252 Ca 0.09 -2.83 0.04 0.00 -0.60 0.00 0.00 56.93 53.63 1it3 s PHE 252 Cb 0.12 -3.30 0.23 0.00 0.51 0.00 0.00 43.02 40.58 1it3 s PHE 252 CO 0.44 -0.80 0.81 -0.35 0.70 0.00 0.00 175.22 176.01 1it3 n PRO 253 N 2.85 0.10 0.11 0.24 -0.04 -1.26 -2.02 135.00 134.99 1it3 n PRO 253 Ca 0.16 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 1it3 n PRO 253 Cb 0.38 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1it3 n PRO 253 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1it3 h LYS 254 N 0.00 0.00 -1.95 0.54 1.57 -1.93 -3.39 116.57 111.41 1it3 h LYS 254 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1it3 h LYS 254 Cb 0.01 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.93 1it3 h LYS 254 CO 0.00 0.04 -1.17 1.97 -0.57 0.00 0.00 179.45 179.71 1it3 n PHE 255 N -2.77 0.06 -0.04 -1.35 1.16 -0.86 -4.86 117.46 108.81 1it3 n PHE 255 Ca -0.00 -3.76 0.04 0.00 -1.87 0.00 0.00 57.45 51.86 1it3 n PHE 255 Cb 0.58 -0.36 0.22 0.00 -1.61 0.00 0.00 39.48 38.31 1it3 n PHE 255 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1it3 n SER 256 N 0.38 3.60 -4.77 5.98 7.64 -1.24 -4.91 113.62 120.29 1it3 n SER 256 Ca 0.24 -2.51 -0.37 0.00 1.01 0.00 0.00 58.87 57.24 1it3 n SER 256 Cb 0.65 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 1it3 n SER 256 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1it3 s THR 257 N -1.96 3.17 0.41 0.44 -4.23 -1.26 -4.94 115.64 107.26 1it3 s THR 257 Ca 0.30 0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 61.47 1it3 s THR 257 Cb 0.23 -3.44 -0.16 0.00 1.34 0.00 0.00 72.50 70.47 1it3 s THR 257 CO 0.09 -0.02 0.09 2.29 -0.54 0.00 0.00 174.62 176.53 1it3 n LYS 258 N -0.48 0.01 -0.09 3.99 2.85 -1.26 -4.68 118.16 118.50 1it3 n LYS 258 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1it3 n LYS 258 Cb 0.48 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.86 1it3 n LYS 258 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1it3 n LYS 259 N 1.33 0.31 -0.11 -1.58 5.02 -1.26 -3.46 118.16 118.41 1it3 n LYS 259 Ca 0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.22 1it3 n LYS 259 Cb 0.40 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1it3 n LYS 259 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1it3 n SER 260 N 1.41 2.11 0.00 4.39 7.64 -1.26 -4.85 113.62 123.06 1it3 n SER 260 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1it3 n SER 260 Cb 0.16 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1it3 n SER 260 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1it3 n ASN 261 N -3.41 0.00 0.00 6.43 4.13 -1.23 -4.72 115.26 116.47 1it3 n ASN 261 Ca -0.41 0.03 0.00 0.00 1.68 0.00 0.00 54.58 55.88 1it3 n ASN 261 Cb 0.89 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.13 1it3 n ASN 261 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1it3 n LEU 262 N -0.05 0.00 0.28 3.41 7.99 -1.26 -2.44 117.00 124.93 1it3 n LEU 262 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 56.01 56.18 1it3 n LEU 262 Cb 0.00 0.00 0.89 0.00 -0.11 0.00 0.00 43.42 44.20 1it3 n LEU 262 CO 0.00 0.00 1.15 -0.08 -1.51 0.00 0.00 177.39 176.95 1it3 h GLU 263 N 0.00 0.00 -0.00 3.23 4.22 -1.97 0.47 114.58 120.53 1it3 h GLU 263 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1it3 h GLU 263 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1it3 h GLU 263 CO 0.00 0.00 -0.28 0.94 -2.18 0.00 0.00 179.01 177.49 1it3 n GLN 264 N -3.22 3.36 -2.11 1.92 -0.06 -1.02 -4.99 117.38 111.27 1it3 n GLN 264 Ca -0.00 -0.25 -0.42 0.00 -2.00 0.00 0.00 57.00 54.32 1it3 n GLN 264 Cb 0.34 -0.95 -0.03 0.00 -4.06 0.00 0.00 30.24 25.54 1it3 n GLN 264 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1it3 s ASP 265 N -1.51 6.75 0.39 1.69 -1.08 0.15 -4.90 116.67 118.16 1it3 s ASP 265 Ca 0.05 2.20 0.11 0.00 -0.52 0.00 0.00 52.55 54.39 1it3 s ASP 265 Cb 0.06 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.75 1it3 s ASP 265 CO 0.27 -0.82 1.89 1.55 0.52 0.00 0.00 175.17 178.58 1it3 h PRO 266 N 8.48 0.13 -0.05 4.34 0.13 -1.94 -1.23 132.00 141.86 1it3 h PRO 266 Ca -0.38 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 1it3 h PRO 266 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1it3 h PRO 266 CO 0.93 0.36 -0.83 0.93 -0.23 0.00 0.00 178.00 179.16 1it3 h GLU 267 N 0.12 0.46 -0.48 0.86 4.39 -1.90 0.63 114.58 118.65 1it3 h GLU 267 Ca 0.02 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 1it3 h GLU 267 Cb 0.48 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1it3 h GLU 267 CO 0.03 1.07 -0.01 0.28 -1.16 0.00 0.00 179.01 179.22 1it3 h VAL 268 N 0.29 1.26 -0.59 3.13 2.07 -1.79 0.13 116.25 120.76 1it3 h VAL 268 Ca -0.06 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1it3 h VAL 268 Cb 1.44 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1it3 h VAL 268 CO 0.15 0.38 0.25 0.11 0.02 0.00 0.00 177.57 178.48 1it3 h LYS 269 N 0.71 0.87 -0.59 1.57 1.57 -1.10 -1.27 116.57 118.33 1it3 h LYS 269 Ca 0.13 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1it3 h LYS 269 Cb 0.53 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1it3 h LYS 269 CO 0.03 0.73 0.14 1.25 -0.57 0.00 0.00 179.45 181.03 1it3 h HIS 270 N 0.81 1.00 -0.26 -1.35 2.76 -0.62 -2.32 115.15 115.16 1it3 h HIS 270 Ca 0.20 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 58.14 1it3 h HIS 270 Cb 0.17 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 1it3 h HIS 270 CO 0.01 0.85 -0.30 0.37 -1.30 0.00 0.00 177.93 177.55 1it3 h GLN 271 N 0.86 0.54 -0.65 5.26 5.75 -0.75 -2.07 115.11 124.05 1it3 h GLN 271 Ca 0.19 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1it3 h GLN 271 Cb 0.35 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1it3 h GLN 271 CO 0.00 0.78 0.18 0.00 -2.65 0.00 0.00 178.83 177.14 1it3 h ALA 272 N 1.21 1.10 -0.13 3.38 0.00 -1.03 -1.97 119.26 121.81 1it3 h ALA 272 Ca 0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1it3 h ALA 272 Cb 0.76 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1it3 h ALA 272 CO 0.06 0.61 -0.45 0.28 0.00 0.00 0.00 179.25 179.75 1it3 h VAL 273 N 0.96 1.32 -0.59 0.00 2.07 -1.22 -2.32 116.25 116.48 1it3 h VAL 273 Ca 0.21 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 1it3 h VAL 273 Cb 0.31 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1it3 h VAL 273 CO -0.00 0.49 0.10 0.58 0.02 0.00 0.00 177.57 178.75 1it3 h VAL 274 N 0.26 1.26 -0.28 2.57 2.07 -0.87 -1.98 116.25 119.28 1it3 h VAL 274 Ca 0.02 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1it3 h VAL 274 Cb 0.89 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1it3 h VAL 274 CO 0.07 0.36 -0.13 0.40 0.02 0.00 0.00 177.57 178.30 1it3 h ILE 275 N 0.87 1.30 -0.68 4.57 2.04 -1.27 -2.93 117.51 121.42 1it3 h ILE 275 Ca 0.18 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1it3 h ILE 275 Cb 0.42 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1it3 h ILE 275 CO 0.01 0.38 0.36 0.15 0.00 0.00 0.00 178.15 179.06 1it3 h PHE 276 N 0.32 0.93 -0.19 1.37 3.57 -1.35 -2.35 116.94 119.24 1it3 h PHE 276 Ca 0.06 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1it3 h PHE 276 Cb 0.64 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1it3 h PHE 276 CO 0.06 0.67 -0.20 -0.91 -2.23 0.00 0.00 178.31 175.70 1it3 h ASN 277 N 0.93 0.32 -0.13 0.41 -0.26 -1.38 -0.76 115.58 114.71 1it3 h ASN 277 Ca 0.24 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1it3 h ASN 277 Cb 0.05 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1it3 h ASN 277 CO -0.04 0.54 -0.16 0.50 -1.06 0.00 0.00 177.43 177.21 1it3 h LYS 278 N 0.30 0.34 -0.82 0.81 1.63 -1.31 -0.59 116.57 116.93 1it3 h LYS 278 Ca 0.05 -0.19 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1it3 h LYS 278 Cb 0.53 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.14 1it3 h LYS 278 CO 0.04 0.76 0.54 0.28 -3.45 0.00 0.00 179.45 177.61 1it3 h VAL 279 N -0.06 1.21 -0.22 2.00 2.07 -1.24 0.13 116.25 120.14 1it3 h VAL 279 Ca 0.02 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1it3 h VAL 279 Cb 0.71 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1it3 h VAL 279 CO 0.04 0.21 0.05 -1.13 0.02 0.00 0.00 177.57 176.76 1it3 h ASN 280 N 1.12 0.34 -0.84 0.57 -0.73 -1.04 -1.40 115.58 113.60 1it3 h ASN 280 Ca 0.30 -0.24 0.05 0.00 1.87 0.00 0.00 56.30 58.28 1it3 h ASN 280 Cb -0.12 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 38.33 1it3 h ASN 280 CO -0.06 0.49 0.53 -0.08 -0.37 0.00 0.00 177.43 177.94 1it3 h GLU 281 N 0.18 0.98 -0.18 6.67 4.81 -0.22 -1.88 114.58 124.93 1it3 h GLU 281 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1it3 h GLU 281 Cb 0.28 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1it3 h GLU 281 CO 0.00 0.65 0.08 0.82 -0.73 0.00 0.00 179.01 179.83 1it3 h ILE 282 N 1.01 1.15 -0.02 2.32 2.04 -0.53 -2.37 117.51 121.12 1it3 h ILE 282 Ca 0.35 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1it3 h ILE 282 Cb 0.08 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1it3 h ILE 282 CO -0.14 0.14 0.01 0.40 0.00 0.00 0.00 178.15 178.57 1it3 h ILE 283 N 0.15 0.69 -0.15 -0.67 2.04 -0.87 0.87 117.51 119.57 1it3 h ILE 283 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1it3 h ILE 283 Cb 0.16 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1it3 h ILE 283 CO -0.01 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.73 1it3 n ASN 284 N -4.09 0.99 -0.27 1.72 3.02 -0.74 -3.51 115.26 112.38 1it3 n ASN 284 Ca -0.03 -1.80 0.04 0.00 -0.03 0.00 0.00 54.58 52.77 1it3 n ASN 284 Cb 0.10 -0.10 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 1it3 n ASN 284 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1it3 n SER 285 N -0.04 1.02 0.11 6.41 7.64 0.29 -4.83 113.62 124.22 1it3 n SER 285 Ca 0.11 -2.35 0.08 0.00 1.01 0.00 0.00 58.87 57.72 1it3 n SER 285 Cb 0.19 -0.26 0.42 0.00 -1.01 0.00 0.00 64.21 63.55 1it3 n SER 285 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1it3 n MET 286 N -0.58 0.11 0.06 1.43 2.81 -1.15 -2.06 117.12 117.74 1it3 n MET 286 Ca 0.06 0.55 -0.22 0.00 -1.81 0.00 0.00 57.70 56.28 1it3 n MET 286 Cb 0.64 -1.81 -0.15 0.00 -0.71 0.00 0.00 33.22 31.19 1it3 n MET 286 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1it3 h ASP 287 N 0.00 0.56 -2.76 7.83 3.32 -1.89 -3.37 116.42 120.11 1it3 h ASP 287 Ca 0.00 -0.90 -0.80 0.00 0.02 0.00 0.00 57.03 55.35 1it3 h ASP 287 Cb 0.08 -0.18 -0.26 0.00 0.22 0.00 0.00 39.33 39.19 1it3 h ASP 287 CO 0.00 1.77 0.95 -3.20 -1.72 0.00 0.00 179.24 177.04 1it3 n ASN 288 N -3.55 6.04 0.15 6.45 2.85 -0.87 -4.79 115.26 121.53 1it3 n ASN 288 Ca -0.25 -3.29 0.10 0.00 -0.11 0.00 0.00 54.58 51.02 1it3 n ASN 288 Cb 1.07 -1.33 0.54 0.00 1.24 0.00 0.00 39.78 41.29 1it3 n ASN 288 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1it3 n GLN 289 N 2.09 0.13 0.11 1.20 1.13 -1.25 -0.39 117.38 120.40 1it3 n GLN 289 Ca 0.28 0.62 -0.03 0.00 -1.94 0.00 0.00 57.00 55.94 1it3 n GLN 289 Cb 0.35 -1.92 0.07 0.00 0.11 0.00 0.00 30.24 28.85 1it3 n GLN 289 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1it3 h GLU 290 N 0.00 0.00 0.01 -1.09 3.07 -1.89 -2.88 114.58 111.80 1it3 h GLU 290 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 1it3 h GLU 290 Cb 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1it3 h GLU 290 CO 0.00 0.73 -0.90 1.49 -1.40 0.00 0.00 179.01 178.93 1it3 h GLU 291 N 0.00 0.05 -0.12 2.33 4.81 -1.05 -2.79 114.58 117.81 1it3 h GLU 291 Ca -0.01 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1it3 h GLU 291 Cb 1.34 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1it3 h GLU 291 CO 0.09 0.92 -0.47 0.82 -0.73 0.00 0.00 179.01 179.64 1it3 h ILE 292 N 0.02 1.33 -0.21 2.32 2.04 -1.47 -2.01 117.51 119.54 1it3 h ILE 292 Ca -0.02 -1.68 -0.20 0.00 1.00 0.00 0.00 64.86 63.96 1it3 h ILE 292 Cb 1.58 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1it3 h ILE 292 CO 0.12 0.50 -0.65 0.40 0.00 0.00 0.00 178.15 178.53 1it3 h ILE 293 N 0.24 1.29 -0.10 -0.67 2.04 -1.45 -1.97 117.51 116.89 1it3 h ILE 293 Ca 0.01 -1.86 -0.20 0.00 1.00 0.00 0.00 64.86 63.81 1it3 h ILE 293 Cb 0.93 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1it3 h ILE 293 CO 0.08 0.59 -0.76 0.50 0.00 0.00 0.00 178.15 178.56 1it3 h LYS 294 N 0.55 0.56 0.10 2.37 3.64 -1.42 -2.24 116.57 120.13 1it3 h LYS 294 Ca -0.01 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1it3 h LYS 294 Cb 1.25 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1it3 h LYS 294 CO 0.13 1.09 -0.05 1.03 -2.27 0.00 0.00 179.45 179.39 1it3 h SER 295 N 0.38 -0.11 0.51 4.20 0.87 -1.41 -2.64 113.55 115.34 1it3 h SER 295 Ca -0.04 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1it3 h SER 295 Cb 1.36 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1it3 h SER 295 CO 0.14 0.37 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.52 1it3 h LEU 296 N -0.64 0.00 -0.43 2.23 3.38 -1.45 0.09 115.31 118.49 1it3 h LEU 296 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1it3 h LEU 296 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1it3 h LEU 296 CO 0.02 0.23 -0.51 0.50 0.09 0.00 0.00 178.44 178.77 1it3 h LYS 297 N 0.00 0.74 -0.19 1.13 3.64 -1.43 0.68 116.57 121.14 1it3 h LYS 297 Ca -0.00 -0.45 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 1it3 h LYS 297 Cb 0.55 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1it3 h LYS 297 CO 0.03 1.07 -0.38 0.22 -2.27 0.00 0.00 179.45 178.12 1it3 h ASP 298 N 0.58 0.67 -0.02 4.20 3.58 -1.02 -2.95 116.42 121.45 1it3 h ASP 298 Ca 0.02 -0.55 -0.04 0.00 0.42 0.00 0.00 57.03 56.88 1it3 h ASP 298 Cb 1.08 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 1it3 h ASP 298 CO 0.11 1.09 -0.08 0.25 -2.88 0.00 0.00 179.24 177.73 1it3 h LEU 299 N 0.27 0.22 -0.80 2.28 5.85 -0.88 -2.13 115.31 120.12 1it3 h LEU 299 Ca 0.01 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1it3 h LEU 299 Cb 0.98 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1it3 h LEU 299 CO 0.09 0.34 0.15 -1.28 -0.34 0.00 0.00 178.44 177.40 1it3 h SER 300 N 0.23 0.99 -0.67 1.25 0.87 -0.78 -2.09 113.55 113.36 1it3 h SER 300 Ca 0.05 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1it3 h SER 300 Cb 0.30 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1it3 h SER 300 CO 0.02 0.96 0.16 -0.61 -0.53 0.00 0.00 176.83 176.83 1it3 h GLN 301 N 1.00 1.07 -0.13 2.24 -0.00 -1.23 -1.88 115.11 116.18 1it3 h GLN 301 Ca 0.21 -0.26 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1it3 h GLN 301 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1it3 h GLN 301 CO 0.00 0.96 0.05 0.87 0.00 0.00 0.00 178.83 180.71 1it3 h LYS 302 N 1.00 0.11 -0.65 1.69 1.79 -1.04 -1.58 116.57 117.89 1it3 h LYS 302 Ca 0.21 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1it3 h LYS 302 Cb 0.37 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1it3 h LYS 302 CO 0.00 0.07 0.27 0.45 -1.08 0.00 0.00 179.45 179.16 1it3 h HIS 303 N 0.11 0.95 0.27 -1.35 3.86 -1.23 -0.31 115.15 117.44 1it3 h HIS 303 Ca 0.05 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1it3 h HIS 303 Cb 0.03 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1it3 h HIS 303 CO -0.10 0.72 -0.13 -0.22 0.86 0.00 0.00 177.93 179.06 1it3 h LYS 304 N 0.93 -0.35 0.10 2.45 3.64 -1.01 0.25 116.57 122.58 1it3 h LYS 304 Ca 0.22 0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.27 1it3 h LYS 304 Cb 0.16 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1it3 h LYS 304 CO -0.02 -0.04 -2.01 0.25 -2.27 0.00 0.00 179.45 175.36 1it3 n THR 305 N -5.02 1.73 -0.02 1.00 -2.24 -0.62 -3.47 114.28 105.63 1it3 n THR 305 Ca -0.07 -0.67 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 1it3 n THR 305 Cb 0.24 -1.59 -0.04 0.00 -2.10 0.00 0.00 70.33 66.84 1it3 n THR 305 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1it3 h VAL 306 N 0.05 0.42 -0.28 2.28 2.07 -1.32 -3.34 116.25 116.13 1it3 h VAL 306 Ca -0.42 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1it3 h VAL 306 Cb 2.03 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1it3 h VAL 306 CO 0.07 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.29 1it3 n PHE 307 N -4.80 0.37 -3.93 1.57 0.99 -0.26 -4.95 117.46 106.46 1it3 n PHE 307 Ca -0.03 -0.19 -0.28 0.00 -0.00 0.00 0.00 57.45 56.95 1it3 n PHE 307 Cb 0.14 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.62 1it3 n PHE 307 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1it3 n LYS 308 N 0.58 -0.57 -3.91 -1.08 5.02 -0.85 -4.91 118.16 112.43 1it3 n LYS 308 Ca 0.15 -0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 1it3 n LYS 308 Cb 0.36 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 1it3 n LYS 308 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1it3 s VAL 309 N -4.11 5.40 0.17 -0.18 1.01 0.84 -5.00 120.40 118.53 1it3 s VAL 309 Ca 0.28 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1it3 s VAL 309 Cb -0.16 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1it3 s VAL 309 CO 0.58 0.41 1.04 -1.81 0.00 0.00 0.00 175.10 175.33 1it3 s ASP 310 N -1.66 7.37 0.00 3.32 1.11 -1.26 -4.60 116.67 120.95 1it3 s ASP 310 Ca 0.23 2.01 0.24 0.00 0.18 0.00 0.00 52.55 55.22 1it3 s ASP 310 Cb -0.12 -2.60 1.32 0.00 1.07 0.00 0.00 42.92 42.59 1it3 s ASP 310 CO 0.14 -0.13 1.82 -1.54 1.18 0.00 0.00 175.17 176.64 1it3 n SER 311 N 2.29 0.00 0.20 0.27 3.41 -1.26 -3.52 113.62 115.01 1it3 n SER 311 Ca 0.02 -0.35 0.06 0.00 -0.26 0.00 0.00 58.87 58.34 1it3 n SER 311 Cb 0.47 -0.17 0.41 0.00 -0.26 0.00 0.00 64.21 64.66 1it3 n SER 311 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1it3 h ILE 312 N 0.00 0.95 0.04 -1.33 1.08 -2.03 -3.28 117.51 112.95 1it3 h ILE 312 Ca 0.00 -1.28 -0.22 0.00 -0.39 0.00 0.00 64.86 62.96 1it3 h ILE 312 Cb 0.14 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 1it3 h ILE 312 CO 0.00 0.33 -1.02 -0.50 -0.69 0.00 0.00 178.15 176.27 1it3 h TRP 313 N 0.00 0.31 -0.71 1.37 4.06 -1.99 -3.37 115.95 115.62 1it3 h TRP 313 Ca -0.00 -0.20 0.11 0.00 2.06 0.00 0.00 58.89 60.86 1it3 h TRP 313 Cb 0.73 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 28.74 1it3 h TRP 313 CO 0.00 1.08 -0.39 0.74 -3.56 0.00 0.00 178.44 176.31 1it3 h PHE 314 N 0.08 -1.11 -0.81 0.49 0.05 -1.80 -0.52 116.94 113.31 1it3 h PHE 314 Ca -0.07 0.09 0.08 0.00 3.82 0.00 0.00 57.97 61.89 1it3 h PHE 314 Cb 1.70 0.59 -0.05 0.00 2.00 0.00 0.00 35.95 40.19 1it3 h PHE 314 CO 0.04 -0.40 0.53 -0.22 -0.18 0.00 0.00 178.31 178.08 1it3 h LYS 315 N -0.14 0.81 -0.02 1.51 3.64 -1.79 -1.83 116.57 118.75 1it3 h LYS 315 Ca 0.24 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.33 1it3 h LYS 315 Cb 0.56 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1it3 h LYS 315 CO -0.77 0.53 -0.95 0.93 -2.27 0.00 0.00 179.45 176.93 1it3 h GLU 316 N 0.83 0.68 -0.62 1.90 4.39 -1.32 -2.04 114.58 118.40 1it3 h GLU 316 Ca 0.36 -0.70 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 1it3 h GLU 316 Cb 0.32 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1it3 h GLU 316 CO -0.14 1.29 0.17 1.25 -1.16 0.00 0.00 179.01 180.42 1it3 h LEU 317 N 0.35 0.88 -0.62 1.33 6.46 -1.07 -2.31 115.31 120.32 1it3 h LEU 317 Ca -0.11 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.40 1it3 h LEU 317 Cb 1.61 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 1it3 h LEU 317 CO 0.19 0.84 0.05 0.28 -0.62 0.00 0.00 178.44 179.18 1it3 h SER 318 N 0.91 1.03 -0.56 1.25 0.02 -1.32 -0.76 113.55 114.13 1it3 h SER 318 Ca 0.20 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1it3 h SER 318 Cb 0.29 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1it3 h SER 318 CO -0.00 1.06 0.00 0.28 -1.14 0.00 0.00 176.83 177.03 1it3 h SER 319 N 0.97 0.96 -0.29 3.07 0.02 -1.07 -0.65 113.55 116.56 1it3 h SER 319 Ca 0.18 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 1it3 h SER 319 Cb 0.50 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1it3 h SER 319 CO 0.02 1.03 -0.16 0.40 -1.14 0.00 0.00 176.83 176.99 1it3 h ILE 320 N 0.87 1.26 0.76 3.27 2.04 -1.26 -1.57 117.51 122.87 1it3 h ILE 320 Ca 0.16 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 1it3 h ILE 320 Cb 0.54 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1it3 h ILE 320 CO 0.03 0.41 -0.36 0.15 0.00 0.00 0.00 178.15 178.38 1it3 h PHE 321 N 0.66 -0.94 -0.97 1.37 3.04 -0.82 0.29 116.94 119.57 1it3 h PHE 321 Ca 0.10 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.16 1it3 h PHE 321 Cb 0.64 0.31 -0.09 0.00 2.56 0.00 0.00 35.95 39.37 1it3 h PHE 321 CO 0.03 -0.58 0.59 0.28 -2.02 0.00 0.00 178.31 176.61 1it3 h VAL 322 N -1.05 0.87 -0.28 1.41 2.07 -1.05 -2.11 116.25 116.11 1it3 h VAL 322 Ca -0.10 -0.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.93 1it3 h VAL 322 Cb 0.79 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1it3 h VAL 322 CO 0.17 0.16 -0.53 -1.28 0.02 0.00 0.00 177.57 176.11 1it3 h SER 323 N 0.90 0.91 0.24 0.57 0.87 -1.13 0.76 113.55 116.67 1it3 h SER 323 Ca 0.50 -0.48 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1it3 h SER 323 Cb 0.55 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1it3 h SER 323 CO -0.29 1.26 -0.32 0.74 -0.53 0.00 0.00 176.83 177.69 1it3 h THR 324 N 0.63 1.26 -0.02 2.23 2.02 -0.26 -2.59 112.91 116.18 1it3 h THR 324 Ca 0.02 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1it3 h THR 324 Cb 1.13 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1it3 h THR 324 CO 0.12 0.36 -0.35 2.30 0.37 0.00 0.00 175.52 178.32 1it3 n ILE 325 N -4.12 0.00 -2.39 3.11 -5.35 -1.02 -4.97 119.36 104.62 1it3 n ILE 325 Ca -0.01 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.07 1it3 n ILE 325 Cb 0.39 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 1it3 n ILE 325 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1it3 n ASP 326 N -0.01 -4.28 -4.72 7.28 4.64 -0.77 -4.98 116.55 113.72 1it3 n ASP 326 Ca 0.11 -0.06 -0.35 0.00 -1.38 0.00 0.00 54.79 53.11 1it3 n ASP 326 Cb 0.45 -3.37 0.09 0.00 -1.04 0.00 0.00 41.12 37.25 1it3 n ASP 326 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1it3 s GLY 327 N -2.50 2.50 0.00 0.27 0.00 0.19 -5.01 107.32 102.77 1it3 s GLY 327 Ca 0.05 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1it3 s GLY 327 CO 0.06 1.42 0.00 0.61 0.00 0.00 0.00 173.10 175.20 1it3 n GLY 328 N 0.62 0.75 0.06 0.20 0.00 -1.26 -4.84 105.19 100.71 1it3 n GLY 328 Ca 0.14 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.64 1it3 n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it3 n ALA 329 N -3.00 2.07 0.09 4.61 0.00 -1.26 -2.78 120.51 120.25 1it3 n ALA 329 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1it3 n ALA 329 Cb 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 1it3 n ALA 329 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1it3 h GLU 330 N 0.00 0.28 0.00 0.00 9.09 -1.94 -2.55 114.58 119.47 1it3 h GLU 330 Ca 0.00 -0.41 -0.17 0.00 0.05 0.00 0.00 59.36 58.83 1it3 h GLU 330 Cb 0.50 0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.72 1it3 h GLU 330 CO 0.00 1.15 -0.82 0.74 0.05 0.00 0.00 179.01 180.13 1it3 h PHE 331 N 0.11 0.04 -0.68 2.06 -1.00 -1.84 -0.15 116.94 115.48 1it3 h PHE 331 Ca -0.10 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.61 1it3 h PHE 331 Cb 1.81 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.33 1it3 h PHE 331 CO 0.06 0.83 0.26 0.93 -1.61 0.00 0.00 178.31 178.78 1it3 h GLU 332 N 0.02 1.02 -0.43 1.51 5.08 -1.52 -0.79 114.58 119.46 1it3 h GLU 332 Ca -0.01 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1it3 h GLU 332 Cb 1.44 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1it3 h GLU 332 CO 0.11 0.85 0.02 -0.22 -1.00 0.00 0.00 179.01 178.77 1it3 h LYS 333 N 0.97 0.75 -0.20 2.33 3.64 -1.23 -1.67 116.57 121.16 1it3 h LYS 333 Ca 0.22 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1it3 h LYS 333 Cb 0.22 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1it3 h LYS 333 CO -0.02 0.81 -0.08 1.25 -2.27 0.00 0.00 179.45 179.14 1it3 h LEU 334 N 0.59 -0.26 -1.09 5.20 6.46 -0.48 -2.14 115.31 123.60 1it3 h LEU 334 Ca 0.13 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1it3 h LEU 334 Cb 0.46 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1it3 h LEU 334 CO 0.02 -0.10 0.00 -0.26 -0.62 0.00 0.00 178.44 177.48 1it3 h PHE 335 N -0.04 0.00 -0.08 1.25 -1.00 -1.08 -1.72 116.94 114.26 1it3 h PHE 335 Ca 0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 1it3 h PHE 335 Cb 0.20 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 1it3 h PHE 335 CO -0.24 0.00 -0.04 0.77 -1.61 0.00 0.00 178.31 177.19 1it3 h SER 336 N 0.00 0.18 -0.85 2.17 0.02 -0.67 0.92 113.55 115.32 1it3 h SER 336 Ca 0.00 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1it3 h SER 336 Cb 0.58 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 1it3 h SER 336 CO 0.00 0.55 0.56 0.40 -1.14 0.00 0.00 176.83 177.20 1it3 h ILE 337 N -0.19 1.18 0.07 3.27 2.04 -1.10 0.53 117.51 123.31 1it3 h ILE 337 Ca 0.02 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1it3 h ILE 337 Cb 0.48 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1it3 h ILE 337 CO 0.01 0.20 -0.03 0.40 0.00 0.00 0.00 178.15 178.73 1it3 h ILE 338 N 1.11 1.12 -0.16 -0.67 2.04 -1.04 -1.89 117.51 118.01 1it3 h ILE 338 Ca 0.32 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1it3 h ILE 338 Cb -0.07 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1it3 h ILE 338 CO -0.09 0.16 0.06 0.00 0.00 0.00 0.00 178.15 178.28 1it3 h ILE 340 N 0.09 0.75 -0.36 0.00 2.04 0.03 -2.03 117.51 118.03 1it3 h ILE 340 Ca 0.05 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 1it3 h ILE 340 Cb 0.20 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1it3 h ILE 340 CO -0.00 0.08 -0.17 -0.07 0.00 0.00 0.00 178.15 177.99 1it3 h LEU 341 N 0.46 0.78 -1.90 1.44 4.07 -1.12 -3.05 115.31 115.99 1it3 h LEU 341 Ca 0.35 -0.40 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1it3 h LEU 341 Cb 0.46 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1it3 h LEU 341 CO -0.33 1.01 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.88 1it3 h LEU 342 N 0.55 0.00 -1.30 1.67 3.38 -0.63 -1.79 115.31 117.19 1it3 h LEU 342 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1it3 h LEU 342 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1it3 h LEU 342 CO 0.05 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.21 1it3 n ARG 343 N -3.40 1.89 -0.33 1.13 1.74 -0.81 -4.48 116.66 112.39 1it3 n ARG 343 Ca -0.01 -1.30 -0.00 0.00 -0.77 0.00 0.00 57.85 55.77 1it3 n ARG 343 Cb 0.25 -1.47 0.13 0.00 -1.02 0.00 0.00 32.46 30.35 1it3 n ARG 343 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1it3 h SER 344 N 3.04 0.95 0.00 0.55 4.64 -1.22 -2.41 113.55 119.10 1it3 h SER 344 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1it3 h SER 344 Cb 0.65 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1it3 h SER 344 CO 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 176.83 176.60 1it3 n ALA 345 N -2.35 2.62 1.37 5.18 0.00 -1.26 -5.09 120.51 120.97 1it3 n ALA 345 Ca 0.12 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1it3 n ALA 345 Cb 0.11 -1.45 0.41 0.00 0.00 0.00 0.00 19.45 18.53 1it3 n ALA 345 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16