#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pq6 s THR 221 N 0.00 3.23 0.35 -5.08 -4.23 -1.26 -4.84 115.64 103.81 1pq6 s THR 221 Ca 0.00 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 1pq6 s THR 221 Cb 0.00 -2.85 0.29 0.00 1.34 0.00 0.00 72.50 71.28 1pq6 s THR 221 CO 0.00 -0.52 1.96 0.00 -0.54 0.00 0.00 174.62 175.52 1pq6 h ALA 222 N -1.19 1.66 -0.59 3.99 0.00 -2.05 -0.74 119.26 120.34 1pq6 h ALA 222 Ca -0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1pq6 h ALA 222 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1pq6 h ALA 222 CO 0.51 0.24 0.14 0.00 0.00 0.00 0.00 179.25 180.14 1pq6 h ALA 223 N 1.60 0.78 -0.34 0.00 0.00 -1.99 0.02 119.26 119.33 1pq6 h ALA 223 Ca 0.31 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1pq6 h ALA 223 Cb 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pq6 h ALA 223 CO -0.10 0.48 -0.40 1.96 0.00 0.00 0.00 179.25 181.19 1pq6 h GLN 224 N 0.85 0.87 -0.56 0.00 4.20 -1.81 -1.90 115.11 116.76 1pq6 h GLN 224 Ca 0.18 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 1pq6 h GLN 224 Cb 0.35 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1pq6 h GLN 224 CO 0.00 1.13 0.27 0.93 -0.67 0.00 0.00 178.83 180.48 1pq6 h GLU 225 N 0.67 0.81 -0.12 1.46 5.08 -1.05 -1.60 114.58 119.82 1pq6 h GLU 225 Ca 0.05 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1pq6 h GLU 225 Cb 0.99 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 1pq6 h GLU 225 CO 0.10 0.67 -0.36 1.25 -1.00 0.00 0.00 179.01 179.66 1pq6 h LEU 226 N 0.76 -1.13 -0.77 1.33 5.85 -0.93 -1.13 115.31 119.28 1pq6 h LEU 226 Ca 0.19 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1pq6 h LEU 226 Cb 0.13 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1pq6 h LEU 226 CO -0.02 -0.39 0.47 0.00 -0.34 0.00 0.00 178.44 178.15 1pq6 h MET 227 N -0.45 1.04 -0.17 1.25 -0.00 -1.20 -1.25 114.93 114.16 1pq6 h MET 227 Ca 0.09 -0.09 -0.04 0.00 -0.00 0.00 0.00 59.70 59.66 1pq6 h MET 227 Cb 0.59 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 1pq6 h MET 227 CO -0.37 0.73 -0.04 0.82 -0.00 0.00 0.00 176.91 178.06 1pq6 h ILE 228 N 1.05 1.29 -0.29 -0.10 2.04 -1.06 -2.48 117.51 117.96 1pq6 h ILE 228 Ca 0.28 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1pq6 h ILE 228 Cb -0.04 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1pq6 h ILE 228 CO -0.05 0.30 0.16 1.56 0.00 0.00 0.00 178.15 180.12 1pq6 h GLN 229 N 0.03 0.39 -0.11 2.37 4.20 -1.03 -1.20 115.11 119.76 1pq6 h GLN 229 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1pq6 h GLN 229 Cb 0.48 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1pq6 h GLN 229 CO 0.02 0.29 0.02 0.37 -0.67 0.00 0.00 178.83 178.85 1pq6 h GLN 230 N 0.40 0.19 -0.25 1.46 5.75 -0.95 -1.27 115.11 120.44 1pq6 h GLN 230 Ca 0.10 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1pq6 h GLN 230 Cb 0.01 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1pq6 h GLN 230 CO -0.02 0.40 0.15 -0.07 -2.65 0.00 0.00 178.83 176.64 1pq6 h LEU 231 N -0.05 0.30 -0.44 -2.39 3.38 -0.98 -0.56 115.31 114.57 1pq6 h LEU 231 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pq6 h LEU 231 Cb 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1pq6 h LEU 231 CO 0.00 0.27 0.28 0.58 0.09 0.00 0.00 178.44 179.66 1pq6 h VAL 232 N 0.31 1.13 0.00 1.22 2.07 -1.18 -1.16 116.25 118.64 1pq6 h VAL 232 Ca 0.09 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1pq6 h VAL 232 Cb 0.02 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1pq6 h VAL 232 CO -0.02 0.13 -0.63 0.00 0.02 0.00 0.00 177.57 177.07 1pq6 h ALA 233 N 1.14 0.94 -0.41 1.67 0.00 -1.17 -2.16 119.26 119.27 1pq6 h ALA 233 Ca 0.16 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1pq6 h ALA 233 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pq6 h ALA 233 CO -0.03 0.78 -0.29 0.00 0.00 0.00 0.00 179.25 179.71 1pq6 h ALA 234 N 1.37 0.59 -0.40 0.00 0.00 -0.89 -1.67 119.26 118.26 1pq6 h ALA 234 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1pq6 h ALA 234 Cb 1.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1pq6 h ALA 234 CO 0.08 0.62 0.06 0.37 0.00 0.00 0.00 179.25 180.39 1pq6 h GLN 235 N 0.74 0.67 -0.25 0.00 4.15 -1.00 -1.41 115.11 118.01 1pq6 h GLN 235 Ca 0.08 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.20 1pq6 h GLN 235 Cb 0.87 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1pq6 h GLN 235 CO 0.08 0.72 -0.33 1.25 -1.93 0.00 0.00 178.83 178.62 1pq6 h LEU 236 N 0.52 0.54 -0.56 -2.39 5.85 -1.36 -2.47 115.31 115.45 1pq6 h LEU 236 Ca 0.12 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1pq6 h LEU 236 Cb 0.38 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1pq6 h LEU 236 CO 0.01 0.84 -0.63 -0.61 -0.34 0.00 0.00 178.44 177.70 1pq6 h GLN 237 N 0.45 0.00 -0.16 1.25 5.75 -1.13 -0.96 115.11 120.31 1pq6 h GLN 237 Ca 0.05 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.37 1pq6 h GLN 237 Cb 0.79 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.34 1pq6 h GLN 237 CO 0.06 0.63 -0.64 0.00 -2.65 0.00 0.00 178.83 176.23 1pq6 h ASN 239 N 0.43 -0.09 -0.67 0.00 -1.24 -1.42 -3.18 115.58 109.42 1pq6 h ASN 239 Ca -0.01 -0.42 0.07 0.00 0.71 0.00 0.00 56.30 56.64 1pq6 h ASN 239 Cb 1.22 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 40.23 1pq6 h ASN 239 CO 0.12 0.40 0.36 0.50 -1.29 0.00 0.00 177.43 177.52 1pq6 h LYS 240 N -0.60 0.63 -0.13 6.67 3.11 -1.21 -2.78 116.57 122.27 1pq6 h LYS 240 Ca -0.01 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.63 1pq6 h LYS 240 Cb 0.50 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1pq6 h LYS 240 CO 0.02 0.42 -0.60 0.07 -2.81 0.00 0.00 179.45 176.55 1pq6 h ARG 241 N 0.65 0.43 -7.14 1.90 0.11 -1.61 -3.51 114.38 105.22 1pq6 h ARG 241 Ca 0.31 -0.29 -0.46 0.00 0.10 0.00 0.00 59.98 59.63 1pq6 h ARG 241 Cb 0.23 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1pq6 h ARG 241 CO -0.20 0.90 0.36 -1.12 0.10 0.00 0.00 179.97 180.01 1pq6 s SER 242 N -6.93 6.69 0.34 0.08 0.01 -1.05 -5.13 113.70 107.72 1pq6 s SER 242 Ca -0.06 1.65 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 1pq6 s SER 242 Cb 0.11 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.85 1pq6 s SER 242 CO 0.83 -0.53 0.67 -2.16 0.41 0.00 0.00 173.24 172.45 1pq6 s PRO 247 N -3.68 2.01 0.05 12.44 0.04 -1.26 -4.98 135.00 139.62 1pq6 s PRO 247 Ca 0.61 -1.42 -0.19 0.00 0.04 0.00 0.00 61.00 60.04 1pq6 s PRO 247 Cb -0.10 0.56 -0.10 0.00 0.04 0.00 0.00 34.50 34.90 1pq6 s PRO 247 CO 0.24 -0.90 0.45 1.63 0.04 0.00 0.00 177.00 178.45 1pq6 n LYS 248 N -0.51 0.00 -3.99 4.56 4.01 -1.26 -4.99 118.16 115.98 1pq6 n LYS 248 Ca -0.05 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.67 1pq6 n LYS 248 Cb 0.60 -0.69 -0.09 0.00 -0.51 0.00 0.00 35.03 34.34 1pq6 n LYS 248 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1pq6 s VAL 249 N -0.24 0.17 0.12 -0.18 -7.23 -1.26 -5.09 120.40 106.68 1pq6 s VAL 249 Ca 0.43 -1.43 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 1pq6 s VAL 249 Cb -0.61 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.01 1pq6 s VAL 249 CO 0.31 -0.79 1.75 -0.89 -0.31 0.00 0.00 175.10 175.17 1pq6 s THR 250 N -3.39 2.66 0.27 5.32 2.01 -1.26 -4.92 115.64 116.33 1pq6 s THR 250 Ca 0.02 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1pq6 s THR 250 Cb 0.04 -3.14 -0.13 0.00 0.01 0.00 0.00 72.50 69.28 1pq6 s THR 250 CO -0.08 0.00 1.40 -2.65 -0.69 0.00 0.00 174.62 172.60 1pq6 n PRO 251 N 5.41 2.13 -2.47 4.92 -0.02 -1.26 -4.69 135.00 139.02 1pq6 n PRO 251 Ca 0.17 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1pq6 n PRO 251 Cb 0.39 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1pq6 n PRO 251 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1pq6 s TRP 252 N -0.26 3.44 0.00 6.00 -0.11 -1.26 -4.87 118.94 121.88 1pq6 s TRP 252 Ca 0.65 1.35 0.00 0.00 1.22 0.00 0.00 56.10 59.32 1pq6 s TRP 252 Cb -0.62 -3.38 0.00 0.00 -1.50 0.00 0.00 33.47 27.98 1pq6 s TRP 252 CO 0.52 -1.10 0.00 -0.35 -4.62 0.00 0.00 176.95 171.40 1pq6 n PRO 253 N 4.06 0.00 -3.56 5.86 -0.04 -1.26 -5.12 135.00 134.94 1pq6 n PRO 253 Ca 0.09 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.35 1pq6 n PRO 253 Cb 0.47 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.78 1pq6 n PRO 253 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1pq6 s GLN 259 N 0.00 0.12 1.09 0.54 0.74 -1.26 -5.08 119.66 115.81 1pq6 s GLN 259 Ca 0.00 0.21 -0.17 0.00 0.05 0.00 0.00 55.36 55.45 1pq6 s GLN 259 Cb 0.00 -1.17 0.24 0.00 1.10 0.00 0.00 33.01 33.18 1pq6 s GLN 259 CO 0.00 -0.58 1.16 -1.12 -0.55 0.00 0.00 175.29 174.19 1pq6 s SER 260 N 2.27 1.94 0.05 6.67 0.01 -1.26 -4.94 113.70 118.44 1pq6 s SER 260 Ca 0.05 0.67 -0.04 0.00 1.31 0.00 0.00 55.95 57.94 1pq6 s SER 260 Cb -0.15 -0.97 -0.28 0.00 0.21 0.00 0.00 66.02 64.83 1pq6 s SER 260 CO -0.10 -3.50 1.05 0.03 0.41 0.00 0.00 173.24 171.13 1pq6 h ARG 261 N -2.15 0.26 -0.95 12.44 2.47 -2.01 -2.98 114.38 121.45 1pq6 h ARG 261 Ca -0.47 -0.44 0.11 0.00 -1.26 0.00 0.00 59.98 57.92 1pq6 h ARG 261 Cb 1.29 0.16 -0.07 0.00 -1.65 0.00 0.00 29.97 29.70 1pq6 h ARG 261 CO 0.42 1.17 0.61 -0.44 0.56 0.00 0.00 179.97 182.29 1pq6 h ASP 262 N 0.07 0.85 0.11 7.04 3.32 -1.99 -2.66 116.42 123.15 1pq6 h ASP 262 Ca -0.17 0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.69 1pq6 h ASP 262 Cb 1.98 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 41.40 1pq6 h ASP 262 CO 0.19 0.47 -0.90 0.00 -1.72 0.00 0.00 179.24 177.28 1pq6 h ALA 263 N 1.55 0.32 0.26 3.45 0.00 -1.94 -1.44 119.26 121.45 1pq6 h ALA 263 Ca 0.46 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pq6 h ALA 263 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pq6 h ALA 263 CO -0.22 0.74 -0.38 -0.09 0.00 0.00 0.00 179.25 179.30 1pq6 h ARG 264 N 0.36 -0.64 -0.90 0.00 2.43 -1.40 -1.04 114.38 113.19 1pq6 h ARG 264 Ca -0.08 0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.37 1pq6 h ARG 264 Cb 1.53 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 31.18 1pq6 h ARG 264 CO 0.17 -0.43 0.62 1.96 -1.51 0.00 0.00 179.97 180.78 1pq6 h GLN 265 N -0.67 0.19 0.82 0.20 4.20 -1.49 -0.47 115.11 117.89 1pq6 h GLN 265 Ca -0.03 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1pq6 h GLN 265 Cb 0.61 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.35 1pq6 h GLN 265 CO -0.11 0.13 -0.39 0.37 -0.67 0.00 0.00 178.83 178.16 1pq6 h GLN 266 N 0.20 -1.06 -0.75 1.46 5.75 -0.75 0.51 115.11 120.47 1pq6 h GLN 266 Ca 0.45 0.07 0.03 0.00 -0.15 0.00 0.00 58.65 59.06 1pq6 h GLN 266 Cb 1.45 0.24 -0.05 0.00 1.07 0.00 0.00 27.48 30.19 1pq6 h GLN 266 CO -0.10 -0.69 0.47 0.00 -2.65 0.00 0.00 178.83 175.86 1pq6 h ARG 267 N -1.23 0.90 -0.58 1.69 3.08 -0.04 -0.73 114.38 117.48 1pq6 h ARG 267 Ca -0.11 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1pq6 h ARG 267 Cb 0.85 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1pq6 h ARG 267 CO 0.18 0.59 0.23 0.35 -1.07 0.00 0.00 179.97 180.26 1pq6 h PHE 268 N 0.92 0.87 -0.79 3.04 3.57 -1.15 -1.50 116.94 121.90 1pq6 h PHE 268 Ca 0.30 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1pq6 h PHE 268 Cb 0.03 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1pq6 h PHE 268 CO -0.04 0.70 0.51 0.00 -2.23 0.00 0.00 178.31 177.26 1pq6 h ALA 269 N 1.08 1.42 -0.22 2.41 0.00 -0.17 -1.67 119.26 122.11 1pq6 h ALA 269 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1pq6 h ALA 269 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pq6 h ALA 269 CO -0.02 0.53 0.07 1.25 0.00 0.00 0.00 179.25 181.09 1pq6 h HIS 270 N 1.08 0.35 -0.05 0.00 -0.00 -0.19 -2.14 115.15 114.19 1pq6 h HIS 270 Ca 0.29 -0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.41 1pq6 h HIS 270 Cb -0.11 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1pq6 h HIS 270 CO 0.00 0.41 -0.85 0.74 -0.00 0.00 0.00 177.93 178.23 1pq6 h PHE 271 N 0.19 0.70 -0.83 5.26 0.04 -1.17 -2.15 116.94 119.00 1pq6 h PHE 271 Ca 0.07 -0.35 0.15 0.00 2.80 0.00 0.00 57.97 60.65 1pq6 h PHE 271 Cb 0.22 -0.09 -0.10 0.00 2.20 0.00 0.00 35.95 38.18 1pq6 h PHE 271 CO -0.00 1.15 0.40 0.00 -0.60 0.00 0.00 178.31 179.26 1pq6 h THR 272 N 0.31 0.69 -0.14 -1.55 1.03 -1.29 -0.95 112.91 111.01 1pq6 h THR 272 Ca -0.06 -0.19 -0.19 0.00 -0.01 0.00 0.00 66.41 65.96 1pq6 h THR 272 Cb 1.47 0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1pq6 h THR 272 CO 0.15 0.10 -0.67 -0.33 -0.01 0.00 0.00 175.52 174.76 1pq6 h GLU 273 N 0.56 0.57 -0.48 0.00 5.08 -0.88 -2.10 114.58 117.32 1pq6 h GLU 273 Ca 0.46 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1pq6 h GLU 273 Cb 0.68 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1pq6 h GLU 273 CO -0.39 1.04 0.18 -0.07 -1.00 0.00 0.00 179.01 178.77 1pq6 h LEU 274 N 0.41 0.64 -0.68 1.33 3.38 -1.10 -2.46 115.31 116.83 1pq6 h LEU 274 Ca -0.02 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1pq6 h LEU 274 Cb 1.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1pq6 h LEU 274 CO 0.13 0.59 -0.50 0.00 0.09 0.00 0.00 178.44 178.74 1pq6 h ALA 275 N 1.51 0.86 -0.56 1.53 0.00 -0.97 -2.00 119.26 119.63 1pq6 h ALA 275 Ca 0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1pq6 h ALA 275 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1pq6 h ALA 275 CO -0.01 0.67 0.15 0.82 0.00 0.00 0.00 179.25 180.88 1pq6 h ILE 276 N 0.32 1.24 -0.27 0.00 2.04 -1.14 -0.80 117.51 118.90 1pq6 h ILE 276 Ca 0.01 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.07 1pq6 h ILE 276 Cb 1.00 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1pq6 h ILE 276 CO 0.09 0.32 -0.07 0.40 0.00 0.00 0.00 178.15 178.89 1pq6 h ILE 277 N 0.79 0.73 -0.78 -0.67 1.08 -1.14 -1.52 117.51 116.00 1pq6 h ILE 277 Ca 0.18 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 1pq6 h ILE 277 Cb 0.32 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1pq6 h ILE 277 CO -0.00 0.00 0.42 -1.28 -0.69 0.00 0.00 178.15 176.60 1pq6 h SER 278 N 0.00 0.98 -0.69 1.72 0.87 -1.15 -2.14 113.55 113.14 1pq6 h SER 278 Ca 0.13 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pq6 h SER 278 Cb 0.19 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1pq6 h SER 278 CO -0.27 0.79 0.43 0.58 -0.53 0.00 0.00 176.83 177.83 1pq6 h VAL 279 N 1.10 1.19 -0.52 2.23 2.07 -0.56 -1.20 116.25 120.55 1pq6 h VAL 279 Ca 0.28 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1pq6 h VAL 279 Cb 0.04 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1pq6 h VAL 279 CO -0.04 0.19 0.31 -0.61 0.02 0.00 0.00 177.57 177.44 1pq6 h GLN 280 N 0.94 0.71 -0.15 1.57 4.15 -0.73 -0.94 115.11 120.65 1pq6 h GLN 280 Ca 0.25 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.64 1pq6 h GLN 280 Cb -0.06 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.45 1pq6 h GLN 280 CO -0.05 0.53 -0.07 0.93 -1.93 0.00 0.00 178.83 178.24 1pq6 h GLU 281 N 0.70 -0.05 -0.53 1.69 5.08 -0.98 -2.20 114.58 118.30 1pq6 h GLU 281 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1pq6 h GLU 281 Cb -0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1pq6 h GLU 281 CO -0.03 -0.03 0.27 0.82 -1.00 0.00 0.00 179.01 179.04 1pq6 h ILE 282 N -0.05 1.19 -0.08 3.13 2.04 -0.71 0.00 117.51 123.03 1pq6 h ILE 282 Ca 0.08 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1pq6 h ILE 282 Cb 0.17 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1pq6 h ILE 282 CO -0.19 0.21 0.05 0.58 0.00 0.00 0.00 178.15 178.80 1pq6 h VAL 283 N 0.71 1.02 -0.95 1.67 2.07 -1.11 0.15 116.25 119.81 1pq6 h VAL 283 Ca 0.18 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1pq6 h VAL 283 Cb 0.08 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1pq6 h VAL 283 CO -0.03 0.02 0.61 0.44 0.02 0.00 0.00 177.57 178.63 1pq6 h ASP 284 N 0.10 1.11 -0.27 0.57 3.45 -1.15 -2.76 116.42 117.48 1pq6 h ASP 284 Ca 0.03 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 1pq6 h ASP 284 Cb -0.01 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.47 1pq6 h ASP 284 CO -0.01 0.82 -0.01 0.15 -1.57 0.00 0.00 179.24 178.62 1pq6 h PHE 285 N 1.29 0.53 -0.60 4.55 3.57 -0.63 -3.28 116.94 122.38 1pq6 h PHE 285 Ca 0.34 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1pq6 h PHE 285 Cb -0.11 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 1pq6 h PHE 285 CO 0.00 0.65 0.32 0.00 -2.23 0.00 0.00 178.31 177.05 1pq6 h ALA 286 N 0.81 0.78 0.00 2.41 0.00 -0.81 -1.54 119.26 120.91 1pq6 h ALA 286 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pq6 h ALA 286 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pq6 h ALA 286 CO 0.02 -0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1pq6 n LYS 287 N -4.82 0.09 0.00 0.00 4.76 -1.06 -1.41 118.16 115.72 1pq6 n LYS 287 Ca 0.07 0.25 0.07 0.00 -2.87 0.00 0.00 58.31 55.82 1pq6 n LYS 287 Cb 0.15 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1pq6 n LYS 287 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1pq6 n GLN 288 N -1.34 2.03 -2.25 1.97 6.02 -0.61 -4.79 117.38 118.42 1pq6 n GLN 288 Ca 0.03 -0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 56.05 1pq6 n GLN 288 Cb 0.07 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 1pq6 n GLN 288 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pq6 s VAL 289 N -1.85 3.97 0.15 5.09 1.01 -0.50 -4.89 120.40 123.38 1pq6 s VAL 289 Ca 0.10 1.16 -0.34 0.00 0.00 0.00 0.00 61.98 62.90 1pq6 s VAL 289 Cb 0.11 -3.80 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 1pq6 s VAL 289 CO 0.40 -0.16 1.61 -2.65 0.00 0.00 0.00 175.10 174.30 1pq6 n PRO 290 N 6.97 2.22 0.00 2.72 -0.02 -1.26 -2.01 135.00 143.61 1pq6 n PRO 290 Ca 0.16 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1pq6 n PRO 290 Cb 0.44 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1pq6 n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pq6 n GLY 291 N 3.52 2.49 0.34 -1.23 0.00 -1.26 -4.97 105.19 104.09 1pq6 n GLY 291 Ca 0.17 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1pq6 n GLY 291 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pq6 h PHE 292 N 0.00 1.09 -0.00 1.61 3.57 -1.68 -2.19 116.94 119.33 1pq6 h PHE 292 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1pq6 h PHE 292 Cb 0.00 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.40 1pq6 h PHE 292 CO 0.00 0.79 -0.22 1.28 -2.23 0.00 0.00 178.31 177.93 1pq6 n LEU 293 N -4.32 0.44 0.24 0.59 4.77 -1.26 -2.80 117.00 114.66 1pq6 n LEU 293 Ca 0.07 0.08 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 1pq6 n LEU 293 Cb 0.14 -0.27 0.66 0.00 -2.33 0.00 0.00 43.42 41.62 1pq6 n LEU 293 CO 0.39 0.09 0.97 1.56 -1.33 0.00 0.00 177.39 179.07 1pq6 h GLN 294 N 0.34 0.00 -6.91 3.23 4.20 -1.78 -3.45 115.11 110.73 1pq6 h GLN 294 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1pq6 h GLN 294 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1pq6 h GLN 294 CO 0.00 0.00 0.21 -0.51 -0.67 0.00 0.00 178.83 177.86 1pq6 s LEU 295 N -5.72 3.93 0.78 1.46 1.43 -1.12 -5.06 118.68 114.37 1pq6 s LEU 295 Ca 0.02 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.41 1pq6 s LEU 295 Cb 0.09 -4.27 0.07 0.00 0.03 0.00 0.00 46.19 42.11 1pq6 s LEU 295 CO 0.49 -0.34 1.18 -0.83 0.23 0.00 0.00 176.35 177.09 1pq6 s GLY 296 N -2.49 2.12 0.34 -3.19 0.00 -1.26 -4.79 107.32 98.06 1pq6 s GLY 296 Ca 0.57 0.75 0.05 0.00 0.00 0.00 0.00 44.72 46.09 1pq6 s GLY 296 CO 0.20 1.16 1.93 -0.09 0.00 0.00 0.00 173.10 176.29 1pq6 h ARG 297 N -0.76 0.79 -0.42 2.90 2.43 -1.96 -1.48 114.38 115.87 1pq6 h ARG 297 Ca -0.46 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 1pq6 h ARG 297 Cb 1.28 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1pq6 h ARG 297 CO 0.48 0.52 0.12 0.93 -1.51 0.00 0.00 179.97 180.51 1pq6 h GLU 298 N 0.81 0.67 -0.23 0.20 3.07 -1.99 -1.17 114.58 115.94 1pq6 h GLU 298 Ca 0.36 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.97 1pq6 h GLU 298 Cb 0.34 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1pq6 h GLU 298 CO -0.13 0.66 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.40 1pq6 h ASP 299 N 0.54 0.47 -0.29 1.42 3.32 -1.76 -0.40 116.42 119.72 1pq6 h ASP 299 Ca 0.14 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1pq6 h ASP 299 Cb 0.28 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1pq6 h ASP 299 CO -0.00 0.76 0.18 1.56 -1.72 0.00 0.00 179.24 180.02 1pq6 h GLN 300 N 0.40 0.37 -0.35 3.56 4.20 -0.91 0.50 115.11 122.88 1pq6 h GLN 300 Ca 0.05 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1pq6 h GLN 300 Cb 0.73 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1pq6 h GLN 300 CO 0.06 0.24 0.10 0.82 -0.67 0.00 0.00 178.83 179.38 1pq6 h ILE 301 N 0.38 1.21 -0.71 2.54 2.04 -1.10 -2.36 117.51 119.52 1pq6 h ILE 301 Ca 0.11 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1pq6 h ILE 301 Cb -0.03 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1pq6 h ILE 301 CO -0.04 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.65 1pq6 h ALA 302 N 0.94 0.92 -0.23 1.87 0.00 -0.58 -0.86 119.26 121.32 1pq6 h ALA 302 Ca 0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1pq6 h ALA 302 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pq6 h ALA 302 CO -0.00 0.53 -0.43 -0.07 0.00 0.00 0.00 179.25 179.28 1pq6 h LEU 303 N 1.01 0.60 -0.34 0.00 3.38 -0.90 -2.65 115.31 116.40 1pq6 h LEU 303 Ca 0.24 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1pq6 h LEU 303 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pq6 h LEU 303 CO -0.02 0.95 -0.15 -0.07 0.09 0.00 0.00 178.44 179.24 1pq6 h LEU 304 N 0.45 0.72 -0.24 1.67 3.38 -1.24 -0.95 115.31 119.11 1pq6 h LEU 304 Ca 0.03 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1pq6 h LEU 304 Cb 0.94 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1pq6 h LEU 304 CO 0.08 0.96 -0.09 0.50 0.09 0.00 0.00 178.44 179.98 1pq6 h LYS 305 N 0.49 -0.05 -0.09 1.13 1.63 -1.09 -1.14 116.57 117.44 1pq6 h LYS 305 Ca 0.08 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.71 1pq6 h LYS 305 Cb 0.68 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1pq6 h LYS 305 CO 0.05 -0.03 -0.68 0.00 -3.45 0.00 0.00 179.45 175.33 1pq6 h ALA 306 N 1.16 0.65 0.00 5.00 0.00 -1.48 -3.29 119.26 121.30 1pq6 h ALA 306 Ca 0.12 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1pq6 h ALA 306 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pq6 h ALA 306 CO -0.27 0.75 -0.77 0.77 0.00 0.00 0.00 179.25 179.72 1pq6 h SER 307 N 0.29 0.00 -0.11 0.00 0.02 -0.85 -3.39 113.55 109.51 1pq6 h SER 307 Ca -0.02 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1pq6 h SER 307 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1pq6 h SER 307 CO 0.12 0.77 -0.06 0.74 -1.14 0.00 0.00 176.83 177.26 1pq6 h THR 308 N 0.00 0.82 -0.73 -2.27 2.02 -1.29 -0.03 112.91 111.43 1pq6 h THR 308 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1pq6 h THR 308 Cb 1.57 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1pq6 h THR 308 CO 0.10 0.00 0.28 -0.29 0.37 0.00 0.00 175.52 175.98 1pq6 h ILE 309 N -0.05 1.25 -0.43 3.11 6.09 -1.79 -1.58 117.51 124.10 1pq6 h ILE 309 Ca 0.06 -0.79 -0.03 0.00 -1.37 0.00 0.00 64.86 62.73 1pq6 h ILE 309 Cb 0.14 0.39 -0.02 0.00 0.47 0.00 0.00 36.82 37.80 1pq6 h ILE 309 CO -0.14 0.32 0.14 -0.33 -3.07 0.00 0.00 178.15 175.07 1pq6 h GLU 310 N 1.06 0.67 -0.40 2.19 5.08 -1.54 -1.09 114.58 120.55 1pq6 h GLU 310 Ca 0.24 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1pq6 h GLU 310 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1pq6 h GLU 310 CO -0.02 0.65 -0.13 0.82 -1.00 0.00 0.00 179.01 179.33 1pq6 h ILE 311 N 0.56 1.26 -0.78 3.13 2.04 -0.83 -1.51 117.51 121.37 1pq6 h ILE 311 Ca 0.14 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1pq6 h ILE 311 Cb 0.25 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1pq6 h ILE 311 CO -0.01 0.40 0.43 0.24 0.00 0.00 0.00 178.15 179.21 1pq6 h MET 312 N 0.65 1.09 -0.53 2.37 2.86 -0.99 0.16 114.93 120.55 1pq6 h MET 312 Ca 0.11 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1pq6 h MET 312 Cb 0.60 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1pq6 h MET 312 CO 0.04 0.81 -0.04 -0.07 1.06 0.00 0.00 176.91 178.71 1pq6 h LEU 313 N 1.09 0.95 -0.39 1.22 3.38 -0.82 0.23 115.31 120.96 1pq6 h LEU 313 Ca 0.28 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pq6 h LEU 313 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1pq6 h LEU 313 CO -0.04 1.04 0.20 -0.07 0.09 0.00 0.00 178.44 179.66 1pq6 h LEU 314 N 0.83 0.29 -1.08 1.67 4.07 -0.56 0.05 115.31 120.57 1pq6 h LEU 314 Ca 0.14 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1pq6 h LEU 314 Cb 0.58 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 1pq6 h LEU 314 CO 0.03 0.21 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.12 1pq6 h GLU 315 N 0.40 0.47 -0.46 1.13 4.39 -0.42 -2.19 114.58 117.91 1pq6 h GLU 315 Ca 0.17 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1pq6 h GLU 315 Cb 0.07 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1pq6 h GLU 315 CO -0.12 0.62 -0.23 1.15 -1.16 0.00 0.00 179.01 179.27 1pq6 h THR 316 N 0.43 1.27 -0.90 1.13 2.02 -0.60 -2.71 112.91 113.55 1pq6 h THR 316 Ca 0.08 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 1pq6 h THR 316 Cb 0.52 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1pq6 h THR 316 CO 0.03 0.48 0.53 0.00 0.37 0.00 0.00 175.52 176.93 1pq6 h ALA 317 N 0.85 1.15 -0.00 6.16 0.00 -0.47 -2.19 119.26 124.75 1pq6 h ALA 317 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pq6 h ALA 317 Cb 0.81 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pq6 h ALA 317 CO 0.07 0.63 0.00 -0.09 0.00 0.00 0.00 179.25 179.86 1pq6 h ARG 318 N 1.25 0.00 -0.32 0.00 2.43 -1.26 -2.45 114.38 114.03 1pq6 h ARG 318 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1pq6 h ARG 318 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1pq6 h ARG 318 CO -0.06 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.94 1pq6 n ARG 319 N -4.50 2.35 -2.45 0.20 1.74 -0.85 -4.91 116.66 108.24 1pq6 n ARG 319 Ca -0.03 -2.03 -0.42 0.00 -0.77 0.00 0.00 57.85 54.60 1pq6 n ARG 319 Cb 0.09 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1pq6 n ARG 319 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1pq6 s TYR 320 N -1.60 3.41 -0.39 -1.55 5.04 -0.92 -1.48 117.35 119.86 1pq6 s TYR 320 Ca 0.37 1.32 -0.13 0.00 -2.44 0.00 0.00 57.07 56.19 1pq6 s TYR 320 Cb 0.22 -3.40 0.03 0.00 0.35 0.00 0.00 41.96 39.16 1pq6 s TYR 320 CO 0.31 -1.18 0.26 1.21 -1.34 0.00 0.00 175.55 174.80 1pq6 s ASN 321 N 1.13 5.93 0.34 4.32 2.47 0.18 -4.97 114.94 124.34 1pq6 s ASN 321 Ca 0.58 -0.96 0.08 0.00 0.42 0.00 0.00 52.86 52.98 1pq6 s ASN 321 Cb -0.28 -2.09 0.80 0.00 -1.45 0.00 0.00 41.25 38.23 1pq6 s ASN 321 CO 0.28 -0.43 1.85 -0.74 -3.72 0.00 0.00 177.10 174.34 1pq6 h HIS 322 N 8.54 0.87 0.00 0.43 -0.00 -1.96 -0.48 115.15 122.56 1pq6 h HIS 322 Ca -0.26 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.00 1pq6 h HIS 322 Cb 1.11 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 1pq6 h HIS 322 CO 0.56 0.29 -0.62 1.49 -0.00 0.00 0.00 177.93 179.66 1pq6 h GLU 323 N 0.71 0.00 -0.01 5.26 4.57 -1.95 -3.25 114.58 119.91 1pq6 h GLU 323 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 1pq6 h GLU 323 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1pq6 h GLU 323 CO -0.24 0.62 -0.49 0.25 -1.18 0.00 0.00 179.01 177.97 1pq6 n THR 324 N -3.35 0.00 -2.51 0.32 -2.24 -1.14 -4.99 114.28 100.37 1pq6 n THR 324 Ca 0.01 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 1pq6 n THR 324 Cb 0.74 1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1pq6 n THR 324 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pq6 n GLU 325 N -0.74 -2.26 -4.33 -0.78 1.02 -0.20 -4.98 120.64 108.37 1pq6 n GLU 325 Ca 0.04 0.75 -0.21 0.00 -0.02 0.00 0.00 57.16 57.73 1pq6 n GLU 325 Cb 0.27 -5.40 -0.11 0.00 -0.02 0.00 0.00 31.44 26.18 1pq6 n GLU 325 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pq6 s ILE 327 N -2.22 2.76 -0.24 0.00 1.01 -0.07 -0.64 121.20 121.79 1pq6 s ILE 327 Ca 0.17 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1pq6 s ILE 327 Cb -0.05 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1pq6 s ILE 327 CO 0.06 0.55 -0.08 -0.89 0.00 0.00 0.00 174.94 174.59 1pq6 s THR 328 N 0.00 2.77 -0.07 2.92 2.01 -0.55 -1.62 115.64 121.10 1pq6 s THR 328 Ca -0.05 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 1pq6 s THR 328 Cb -0.15 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1pq6 s THR 328 CO 0.05 0.25 0.29 -0.36 -0.69 0.00 0.00 174.62 174.15 1pq6 s PHE 329 N 1.32 3.64 -1.31 4.92 0.40 0.54 -4.69 117.98 122.79 1pq6 s PHE 329 Ca 0.01 0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 57.04 1pq6 s PHE 329 Cb -0.16 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.21 1pq6 s PHE 329 CO -0.06 0.61 1.02 1.28 0.70 0.00 0.00 175.22 178.78 1pq6 n LEU 330 N 2.18 -3.53 0.00 -0.37 4.77 -1.26 -1.29 117.00 117.51 1pq6 n LEU 330 Ca -0.16 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1pq6 n LEU 330 Cb 0.53 -2.97 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1pq6 n LEU 330 CO 0.35 0.49 0.00 0.29 -1.33 0.00 0.00 177.39 177.20 1pq6 n LYS 331 N -4.52 0.00 0.00 3.23 5.02 -1.26 -4.38 118.16 116.24 1pq6 n LYS 331 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1pq6 n LYS 331 Cb 0.62 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1pq6 n LYS 331 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pq6 n ASP 332 N 0.65 1.12 -4.62 4.39 8.00 -1.03 -5.02 116.55 120.04 1pq6 n ASP 332 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1pq6 n ASP 332 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1pq6 n ASP 332 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pq6 s PHE 333 N -1.28 2.88 -0.02 1.24 0.40 -0.41 -4.93 117.98 115.86 1pq6 s PHE 333 Ca 0.00 0.92 0.08 0.00 -0.60 0.00 0.00 56.93 57.33 1pq6 s PHE 333 Cb 0.00 -4.04 -0.02 0.00 0.51 0.00 0.00 43.02 39.47 1pq6 s PHE 333 CO 0.00 -1.24 -0.25 0.99 0.70 0.00 0.00 175.22 175.42 1pq6 s THR 334 N 4.23 2.15 -0.01 0.64 2.01 -1.26 -0.34 115.64 123.05 1pq6 s THR 334 Ca 0.50 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1pq6 s THR 334 Cb -0.11 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1pq6 s THR 334 CO 0.24 0.56 0.19 -0.31 -0.69 0.00 0.00 174.62 174.61 1pq6 s TYR 335 N -0.64 -0.04 0.41 4.92 1.51 -0.64 -4.97 117.35 117.90 1pq6 s TYR 335 Ca 0.10 0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.28 1pq6 s TYR 335 Cb -0.10 0.00 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 1pq6 s TYR 335 CO -0.01 -0.29 0.24 -1.54 -1.11 0.00 0.00 175.55 172.84 1pq6 s SER 336 N -1.19 4.63 0.32 2.29 1.04 -1.26 -0.90 113.70 118.63 1pq6 s SER 336 Ca -0.13 -0.96 0.10 0.00 0.48 0.00 0.00 55.95 55.44 1pq6 s SER 336 Cb -0.06 -0.52 0.94 0.00 0.10 0.00 0.00 66.02 66.48 1pq6 s SER 336 CO 0.02 -0.56 1.66 0.50 0.98 0.00 0.00 173.24 175.84 1pq6 h LYS 337 N 1.31 0.30 -0.20 4.02 3.64 -1.98 -0.46 116.57 123.20 1pq6 h LYS 337 Ca -0.42 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1pq6 h LYS 337 Cb 1.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1pq6 h LYS 337 CO 0.66 0.20 0.06 -0.44 -2.27 0.00 0.00 179.45 177.65 1pq6 h ASP 338 N 0.31 0.29 -0.97 4.20 5.19 -1.96 -2.77 116.42 120.71 1pq6 h ASP 338 Ca 0.67 -0.22 0.19 0.00 -0.62 0.00 0.00 57.03 57.05 1pq6 h ASP 338 Cb 1.44 -0.08 -0.09 0.00 0.18 0.00 0.00 39.33 40.79 1pq6 h ASP 338 CO -0.61 0.43 0.61 0.44 -3.12 0.00 0.00 179.24 177.00 1pq6 h ASP 339 N 0.14 0.68 0.23 6.45 3.32 -1.47 0.74 116.42 126.52 1pq6 h ASP 339 Ca 0.06 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 1pq6 h ASP 339 Cb 0.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1pq6 h ASP 339 CO -0.00 0.26 -0.46 -0.26 -1.72 0.00 0.00 179.24 177.06 1pq6 h PHE 340 N 0.67 0.34 -0.13 4.55 -1.00 -1.24 -3.00 116.94 117.14 1pq6 h PHE 340 Ca 0.54 -0.10 -0.19 0.00 2.81 0.00 0.00 57.97 61.03 1pq6 h PHE 340 Cb 0.95 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.43 1pq6 h PHE 340 CO -0.00 0.69 -0.69 1.25 -1.61 0.00 0.00 178.31 177.95 1pq6 h HIS 341 N 0.23 0.72 0.00 -0.55 2.76 -0.71 -3.15 115.15 114.44 1pq6 h HIS 341 Ca 0.01 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1pq6 h HIS 341 Cb 0.90 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1pq6 h HIS 341 CO 0.02 1.07 0.00 0.00 -1.30 0.00 0.00 177.93 177.71 1pq6 h ARG 342 N 0.39 0.00 -0.02 5.26 3.08 -0.87 -1.94 114.38 120.28 1pq6 h ARG 342 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1pq6 h ARG 342 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1pq6 h ARG 342 CO 0.13 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.97 1pq6 n ALA 343 N -1.86 2.64 -0.53 0.04 0.00 -1.16 -4.52 120.51 115.12 1pq6 n ALA 343 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1pq6 n ALA 343 Cb 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1pq6 n ALA 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pq6 n GLY 344 N 1.30 1.06 3.76 0.00 0.00 -0.73 -4.31 105.19 106.27 1pq6 n GLY 344 Ca 0.15 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1pq6 n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pq6 s LEU 345 N 0.00 4.53 0.46 0.99 1.43 -1.20 -5.04 118.68 119.85 1pq6 s LEU 345 Ca 0.00 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 1pq6 s LEU 345 Cb 0.00 -3.30 -0.14 0.00 0.03 0.00 0.00 46.19 42.78 1pq6 s LEU 345 CO 0.00 0.12 0.11 0.00 0.23 0.00 0.00 176.35 176.81 1pq6 n GLN 346 N 2.14 0.12 0.07 1.70 6.02 -1.26 -4.67 117.38 121.50 1pq6 n GLN 346 Ca -0.04 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 1pq6 n GLN 346 Cb 0.49 -1.13 0.05 0.00 1.02 0.00 0.00 30.24 30.67 1pq6 n GLN 346 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1pq6 h VAL 347 N 0.26 1.41 0.00 5.09 2.07 -1.98 -2.73 116.25 120.36 1pq6 h VAL 347 Ca -0.40 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1pq6 h VAL 347 Cb 1.44 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1pq6 h VAL 347 CO 0.46 0.65 0.00 -0.62 0.02 0.00 0.00 177.57 178.08 1pq6 n GLU 348 N -3.81 0.07 -0.12 1.57 4.71 -1.26 -1.43 120.64 120.36 1pq6 n GLU 348 Ca -0.03 0.56 -0.24 0.00 -0.01 0.00 0.00 57.16 57.43 1pq6 n GLU 348 Cb 0.70 -1.73 -0.10 0.00 -1.01 0.00 0.00 31.44 29.30 1pq6 n GLU 348 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1pq6 n PHE 349 N -1.89 0.00 -0.05 -0.32 7.35 -1.17 -4.55 117.46 116.83 1pq6 n PHE 349 Ca -0.01 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.57 1pq6 n PHE 349 Cb 0.03 -0.90 -0.05 0.00 0.35 0.00 0.00 39.48 38.90 1pq6 n PHE 349 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1pq6 h ILE 350 N -0.64 1.21 -0.31 -2.13 2.04 -1.15 -3.04 117.51 113.49 1pq6 h ILE 350 Ca -0.61 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 1pq6 h ILE 350 Cb 1.63 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1pq6 h ILE 350 CO -0.30 0.21 0.06 0.78 0.00 0.00 0.00 178.15 178.90 1pq6 h ASN 351 N 0.10 0.48 0.10 1.72 2.35 -1.52 -1.93 115.58 116.87 1pq6 h ASN 351 Ca 0.06 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1pq6 h ASN 351 Cb 0.28 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1pq6 h ASN 351 CO 0.00 0.60 -0.10 -0.65 -1.65 0.00 0.00 177.43 175.63 1pq6 h PRO 352 N 0.33 0.00 -0.14 0.81 0.11 -1.80 -0.88 132.00 130.44 1pq6 h PRO 352 Ca 0.09 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.99 1pq6 h PRO 352 Cb 0.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 1pq6 h PRO 352 CO 0.00 0.10 -0.76 0.82 -0.21 0.00 0.00 178.00 177.95 1pq6 h ILE 353 N 0.00 1.30 -0.15 4.15 1.08 -1.34 -2.12 117.51 120.43 1pq6 h ILE 353 Ca -0.00 -2.01 -0.12 0.00 -0.39 0.00 0.00 64.86 62.34 1pq6 h ILE 353 Cb 0.18 2.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 1pq6 h ILE 353 CO 0.01 0.63 -0.42 -0.26 -0.69 0.00 0.00 178.15 177.43 1pq6 h PHE 354 N 0.47 0.41 -0.44 1.37 -1.00 -1.16 -1.28 116.94 115.32 1pq6 h PHE 354 Ca -0.05 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1pq6 h PHE 354 Cb 1.38 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.83 1pq6 h PHE 354 CO 0.07 0.71 0.08 0.93 -1.61 0.00 0.00 178.31 178.50 1pq6 h GLU 355 N 0.29 0.72 -0.41 1.51 5.08 -1.15 -2.56 114.58 118.05 1pq6 h GLU 355 Ca 0.03 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1pq6 h GLU 355 Cb 0.86 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1pq6 h GLU 355 CO 0.07 0.74 0.03 0.35 -1.00 0.00 0.00 179.01 179.20 1pq6 h PHE 356 N 0.58 0.76 -0.23 4.33 3.57 -1.30 -2.43 116.94 122.22 1pq6 h PHE 356 Ca 0.13 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1pq6 h PHE 356 Cb 0.36 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1pq6 h PHE 356 CO 0.02 0.76 0.01 0.77 -2.23 0.00 0.00 178.31 177.64 1pq6 h SER 357 N 0.54 -0.06 0.21 0.41 0.02 -1.16 -0.16 113.55 113.35 1pq6 h SER 357 Ca 0.12 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1pq6 h SER 357 Cb 0.43 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1pq6 h SER 357 CO 0.02 -0.00 -0.59 0.08 -1.14 0.00 0.00 176.83 175.20 1pq6 h ARG 358 N 0.09 0.38 -0.69 3.45 0.11 -1.44 -2.05 114.38 114.23 1pq6 h ARG 358 Ca 0.11 -0.26 -0.02 0.00 0.10 0.00 0.00 59.98 59.91 1pq6 h ARG 358 Cb 0.13 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.21 1pq6 h ARG 358 CO -0.17 0.86 0.35 0.00 0.10 0.00 0.00 179.97 181.11 1pq6 h ALA 359 N 1.08 1.31 -0.27 0.08 0.00 -1.13 -2.53 119.26 117.80 1pq6 h ALA 359 Ca -0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1pq6 h ALA 359 Cb 1.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1pq6 h ALA 359 CO 0.10 0.54 -0.31 1.98 0.00 0.00 0.00 179.25 181.57 1pq6 h MET 360 N 0.97 0.56 0.00 0.00 4.05 -0.64 -2.84 114.93 117.04 1pq6 h MET 360 Ca 0.24 -0.24 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1pq6 h MET 360 Cb 0.07 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1pq6 h MET 360 CO -0.03 0.80 -0.38 0.00 0.23 0.00 0.00 176.91 177.53 1pq6 h ARG 361 N 0.48 0.00 -0.40 0.39 2.47 -1.10 -2.88 114.38 113.34 1pq6 h ARG 361 Ca 0.06 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.64 1pq6 h ARG 361 Cb 0.77 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1pq6 h ARG 361 CO 0.06 0.38 -0.31 0.00 0.56 0.00 0.00 179.97 180.66 1pq6 h ARG 362 N 0.00 0.89 0.00 0.04 3.08 -1.22 -2.69 114.38 114.48 1pq6 h ARG 362 Ca -0.00 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1pq6 h ARG 362 Cb 0.75 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1pq6 h ARG 362 CO 0.05 1.07 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.86 1pq6 h LEU 363 N 0.75 0.00 -2.02 3.04 3.38 -1.41 -3.47 115.31 115.59 1pq6 h LEU 363 Ca 0.08 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.62 1pq6 h LEU 363 Cb 0.88 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.67 1pq6 h LEU 363 CO 0.08 0.09 -0.86 0.61 0.09 0.00 0.00 178.44 178.45 1pq6 n GLY 364 N -1.09 -0.40 3.76 0.83 0.00 -1.02 -4.94 105.19 102.34 1pq6 n GLY 364 Ca -0.03 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1pq6 n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pq6 s LEU 365 N -6.65 4.07 0.72 0.99 1.43 -1.26 -5.03 118.68 112.95 1pq6 s LEU 365 Ca 0.08 2.77 -0.01 0.00 -1.03 0.00 0.00 54.13 55.95 1pq6 s LEU 365 Cb -0.02 -4.03 0.13 0.00 0.03 0.00 0.00 46.19 42.30 1pq6 s LEU 365 CO 0.83 -1.17 1.00 1.51 0.23 0.00 0.00 176.35 178.75 1pq6 s ASP 366 N -0.73 4.34 0.25 2.29 1.47 -1.26 -4.85 116.67 118.18 1pq6 s ASP 366 Ca 0.63 -0.36 -0.05 0.00 1.18 0.00 0.00 52.55 53.94 1pq6 s ASP 366 Cb -0.40 -0.01 0.33 0.00 -0.34 0.00 0.00 42.92 42.50 1pq6 s ASP 366 CO 0.51 -1.87 1.87 0.44 0.68 0.00 0.00 175.17 176.80 1pq6 h ASP 367 N -0.53 0.92 -0.46 2.11 5.19 -1.99 -1.36 116.42 120.28 1pq6 h ASP 367 Ca -0.36 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.97 1pq6 h ASP 367 Cb 1.27 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1pq6 h ASP 367 CO 0.40 0.60 -0.03 0.00 -3.12 0.00 0.00 179.24 177.09 1pq6 h ALA 368 N 1.41 0.63 -0.10 3.45 0.00 -1.94 -1.84 119.26 120.87 1pq6 h ALA 368 Ca 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pq6 h ALA 368 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pq6 h ALA 368 CO -0.16 0.46 0.04 0.93 0.00 0.00 0.00 179.25 180.52 1pq6 h GLU 369 N 0.69 0.15 0.21 0.00 5.08 -1.80 -0.67 114.58 118.23 1pq6 h GLU 369 Ca 0.13 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1pq6 h GLU 369 Cb 0.55 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1pq6 h GLU 369 CO 0.03 0.26 -0.34 1.88 -1.00 0.00 0.00 179.01 179.84 1pq6 h TYR 370 N 0.00 -0.93 -0.40 4.33 -1.99 -1.27 -0.49 116.97 116.22 1pq6 h TYR 370 Ca 0.03 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.86 1pq6 h TYR 370 Cb 0.17 0.38 -0.07 0.00 2.00 0.00 0.00 36.73 39.21 1pq6 h TYR 370 CO -0.02 -0.46 -0.03 0.00 -0.00 0.00 0.00 178.16 177.65 1pq6 h ALA 371 N -0.06 0.34 -0.68 3.88 0.00 -1.28 -1.20 119.26 120.26 1pq6 h ALA 371 Ca 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1pq6 h ALA 371 Cb 0.62 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1pq6 h ALA 371 CO -0.15 -0.42 0.24 -0.07 0.00 0.00 0.00 179.25 178.85 1pq6 h LEU 372 N 0.07 0.95 -0.67 0.00 3.38 -1.02 -2.08 115.31 115.94 1pq6 h LEU 372 Ca 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1pq6 h LEU 372 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1pq6 h LEU 372 CO -0.36 0.87 0.36 0.25 0.09 0.00 0.00 178.44 179.65 1pq6 h LEU 373 N 0.99 0.85 -0.09 1.67 6.46 -0.40 -1.60 115.31 123.18 1pq6 h LEU 373 Ca 0.22 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1pq6 h LEU 373 Cb 0.25 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1pq6 h LEU 373 CO -0.01 0.71 0.05 0.40 -0.62 0.00 0.00 178.44 178.96 1pq6 h ILE 374 N 0.92 1.09 -0.79 4.05 2.04 -0.84 0.36 117.51 124.35 1pq6 h ILE 374 Ca 0.23 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1pq6 h ILE 374 Cb 0.06 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1pq6 h ILE 374 CO -0.04 0.08 0.52 0.00 0.00 0.00 0.00 178.15 178.72 1pq6 h ALA 375 N 0.94 1.55 -0.39 1.87 0.00 -1.28 0.48 119.26 122.43 1pq6 h ALA 375 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1pq6 h ALA 375 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pq6 h ALA 375 CO -0.00 0.36 -0.24 0.82 0.00 0.00 0.00 179.25 180.18 1pq6 h ILE 376 N 0.94 1.27 -0.39 0.00 2.04 -0.91 -2.61 117.51 117.85 1pq6 h ILE 376 Ca 0.32 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 1pq6 h ILE 376 Cb 0.10 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1pq6 h ILE 376 CO -0.10 0.46 0.03 -1.13 0.00 0.00 0.00 178.15 177.41 1pq6 h ASN 377 N 0.68 0.66 -0.42 1.72 -1.24 0.11 -3.11 115.58 113.98 1pq6 h ASN 377 Ca 0.09 -0.29 0.06 0.00 0.71 0.00 0.00 56.30 56.87 1pq6 h ASN 377 Cb 0.76 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.59 1pq6 h ASN 377 CO 0.06 0.78 0.11 0.40 -1.29 0.00 0.00 177.43 177.49 1pq6 h ILE 378 N 0.51 0.82 -1.12 2.57 2.04 -0.83 -3.20 117.51 118.29 1pq6 h ILE 378 Ca 0.12 -0.09 -0.65 0.00 1.00 0.00 0.00 64.86 65.23 1pq6 h ILE 378 Cb 0.42 0.54 -0.14 0.00 -0.74 0.00 0.00 36.82 36.90 1pq6 h ILE 378 CO 0.01 0.05 1.69 0.49 0.00 0.00 0.00 178.15 180.39 1pq6 n PHE 379 N -5.06 2.23 -3.44 1.37 0.99 -0.99 -4.87 117.46 107.69 1pq6 n PHE 379 Ca 0.03 -2.51 -0.41 0.00 -0.00 0.00 0.00 57.45 54.57 1pq6 n PHE 379 Cb 0.18 -1.67 -0.10 0.00 -1.00 0.00 0.00 39.48 36.89 1pq6 n PHE 379 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1pq6 s SER 380 N 0.37 6.14 0.18 4.37 0.01 -1.21 -4.53 113.70 119.02 1pq6 s SER 380 Ca 0.56 -0.34 0.22 0.00 1.31 0.00 0.00 55.95 57.70 1pq6 s SER 380 Cb 0.25 -2.18 0.89 0.00 0.21 0.00 0.00 66.02 65.19 1pq6 s SER 380 CO -0.14 -0.32 1.67 0.00 0.41 0.00 0.00 173.24 174.86 1pq6 n ALA 381 N 5.30 1.77 0.26 1.44 0.00 -1.26 -3.06 120.51 124.96 1pq6 n ALA 381 Ca -0.10 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.44 1pq6 n ALA 381 Cb 0.49 -1.36 0.23 0.00 0.00 0.00 0.00 19.45 18.81 1pq6 n ALA 381 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pq6 n ASP 382 N -2.02 3.00 -4.73 0.00 5.75 -1.26 -4.72 116.55 112.56 1pq6 n ASP 382 Ca 0.03 -2.14 -0.34 0.00 -0.01 0.00 0.00 54.79 52.33 1pq6 n ASP 382 Cb 0.24 -0.40 0.08 0.00 -1.03 0.00 0.00 41.12 40.02 1pq6 n ASP 382 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1pq6 s ARG 383 N -1.52 2.34 0.33 0.11 1.81 -1.17 -4.95 118.95 115.90 1pq6 s ARG 383 Ca 0.34 1.69 -0.29 0.00 -1.72 0.00 0.00 55.73 55.76 1pq6 s ARG 383 Cb 0.20 -1.86 -0.12 0.00 -0.45 0.00 0.00 34.95 32.71 1pq6 s ARG 383 CO 0.20 -1.66 1.42 -2.30 -0.68 0.00 0.00 175.30 172.28 1pq6 n PRO 384 N -2.55 2.39 -1.12 3.54 -0.02 -1.26 -3.58 135.00 132.39 1pq6 n PRO 384 Ca 0.13 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.41 1pq6 n PRO 384 Cb 0.50 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1pq6 n PRO 384 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pq6 n ASN 385 N 1.12 -3.99 -4.72 2.55 3.02 -1.26 -4.84 115.26 107.15 1pq6 n ASN 385 Ca 0.05 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 1pq6 n ASN 385 Cb 0.36 -1.86 -0.03 0.00 -0.61 0.00 0.00 39.78 37.64 1pq6 n ASN 385 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pq6 s VAL 386 N -2.00 4.41 -0.14 2.41 1.01 -1.23 -4.82 120.40 120.03 1pq6 s VAL 386 Ca 0.00 1.82 0.16 0.00 0.00 0.00 0.00 61.98 63.95 1pq6 s VAL 386 Cb 0.00 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 31.98 1pq6 s VAL 386 CO 0.00 0.19 0.28 0.00 0.00 0.00 0.00 175.10 175.57 1pq6 n GLN 387 N 3.49 0.67 -3.19 2.72 6.02 -1.26 -4.55 117.38 121.28 1pq6 n GLN 387 Ca 0.06 0.11 -0.26 0.00 -0.01 0.00 0.00 57.00 56.90 1pq6 n GLN 387 Cb 0.49 -1.62 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 1pq6 n GLN 387 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pq6 n GLU 388 N -2.87 2.44 -0.22 -1.09 1.02 -1.26 -4.92 120.64 113.74 1pq6 n GLU 388 Ca -0.27 -4.45 -0.03 0.00 -0.02 0.00 0.00 57.16 52.39 1pq6 n GLU 388 Cb 1.12 -2.07 0.16 0.00 -0.02 0.00 0.00 31.44 30.62 1pq6 n GLU 388 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1pq6 h PRO 389 N 3.57 1.02 -0.82 3.49 0.13 -1.84 -2.18 132.00 135.35 1pq6 h PRO 389 Ca 0.15 -0.16 0.09 0.00 -0.87 0.00 0.00 66.00 65.21 1pq6 h PRO 389 Cb 0.66 -0.18 -0.07 0.00 0.13 0.00 0.00 31.00 31.54 1pq6 h PRO 389 CO 0.75 0.81 0.48 0.78 -0.23 0.00 0.00 178.00 180.59 1pq6 h GLY 390 N 1.07 1.27 1.06 1.56 0.00 -1.92 -0.59 103.07 105.52 1pq6 h GLY 390 Ca 0.24 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1pq6 h GLY 390 CO -0.03 0.15 -0.03 3.21 0.00 0.00 0.00 176.54 179.85 1pq6 h ARG 391 N 0.81 1.00 -0.56 4.80 3.08 -1.83 -1.54 114.38 120.14 1pq6 h ARG 391 Ca 0.39 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1pq6 h ARG 391 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1pq6 h ARG 391 CO -0.23 1.01 0.18 0.28 -1.07 0.00 0.00 179.97 180.14 1pq6 h VAL 392 N 0.88 1.24 -0.55 2.04 2.07 -0.91 -1.44 116.25 119.58 1pq6 h VAL 392 Ca 0.15 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1pq6 h VAL 392 Cb 0.58 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1pq6 h VAL 392 CO 0.03 0.30 -0.09 -0.08 0.02 0.00 0.00 177.57 177.76 1pq6 h GLU 393 N 0.79 1.03 -0.88 1.57 4.81 -1.14 -1.52 114.58 119.25 1pq6 h GLU 393 Ca 0.18 -0.37 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1pq6 h GLU 393 Cb 0.28 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1pq6 h GLU 393 CO -0.01 1.06 0.58 0.00 -0.73 0.00 0.00 179.01 179.92 1pq6 h ALA 394 N 0.94 1.47 -0.00 2.92 0.00 -1.03 -2.60 119.26 120.96 1pq6 h ALA 394 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1pq6 h ALA 394 Cb 0.65 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1pq6 h ALA 394 CO 0.05 0.43 -0.78 -0.07 0.00 0.00 0.00 179.25 178.88 1pq6 h LEU 395 N 1.07 0.00 -1.15 0.00 3.38 -0.91 -3.15 115.31 114.56 1pq6 h LEU 395 Ca 0.36 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 1pq6 h LEU 395 Cb 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pq6 h LEU 395 CO -0.12 0.78 -0.09 -0.61 0.09 0.00 0.00 178.44 178.50 1pq6 h GLN 396 N 0.00 0.49 -0.26 1.13 4.15 -1.09 -3.36 115.11 116.18 1pq6 h GLN 396 Ca -0.01 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.35 1pq6 h GLN 396 Cb 1.38 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.94 1pq6 h GLN 396 CO 0.10 0.58 -0.25 0.37 -1.93 0.00 0.00 178.83 177.70 1pq6 h GLN 397 N 0.46 -0.24 0.00 1.69 4.15 -1.42 -2.01 115.11 117.74 1pq6 h GLN 397 Ca 0.09 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1pq6 h GLN 397 Cb 0.44 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1pq6 h GLN 397 CO 0.02 -0.16 -0.14 -1.00 -1.93 0.00 0.00 178.83 175.62 1pq6 h PRO 398 N -0.25 0.00 -0.11 -2.39 0.13 -1.76 -0.08 132.00 127.55 1pq6 h PRO 398 Ca 0.14 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.08 1pq6 h PRO 398 Cb 0.47 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1pq6 h PRO 398 CO -0.40 0.14 -0.70 1.88 -0.23 0.00 0.00 178.00 178.68 1pq6 h TYR 399 N 0.00 0.65 -0.19 1.56 -1.99 -1.66 -1.04 116.97 114.30 1pq6 h TYR 399 Ca -0.00 -0.28 -0.06 0.00 2.00 0.00 0.00 58.73 60.39 1pq6 h TYR 399 Cb 0.30 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.92 1pq6 h TYR 399 CO 0.00 1.04 -0.11 0.28 -0.00 0.00 0.00 178.16 179.36 1pq6 h VAL 400 N 0.34 1.31 -0.87 -2.88 2.07 -0.60 -1.73 116.25 113.89 1pq6 h VAL 400 Ca -0.03 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.36 1pq6 h VAL 400 Cb 1.28 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1pq6 h VAL 400 CO 0.13 0.36 0.54 -0.33 0.02 0.00 0.00 177.57 178.29 1pq6 h GLU 401 N 0.10 0.95 -0.11 1.57 5.08 -1.05 -1.29 114.58 119.84 1pq6 h GLU 401 Ca 0.04 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1pq6 h GLU 401 Cb 0.61 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1pq6 h GLU 401 CO 0.03 0.63 -0.46 0.00 -1.00 0.00 0.00 179.01 178.22 1pq6 h ALA 402 N 1.42 1.03 -0.08 3.43 0.00 -1.06 -1.71 119.26 122.28 1pq6 h ALA 402 Ca 0.38 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1pq6 h ALA 402 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pq6 h ALA 402 CO -0.18 0.63 -0.77 1.25 0.00 0.00 0.00 179.25 180.18 1pq6 h LEU 403 N 0.21 0.58 0.54 0.00 5.85 -0.95 -0.76 115.31 120.78 1pq6 h LEU 403 Ca 0.01 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1pq6 h LEU 403 Cb 0.89 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.75 1pq6 h LEU 403 CO 0.07 1.15 -0.26 0.25 -0.34 0.00 0.00 178.44 179.32 1pq6 h LEU 404 N 0.32 -0.61 -0.97 2.25 5.85 -0.94 -1.67 115.31 119.54 1pq6 h LEU 404 Ca -0.04 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1pq6 h LEU 404 Cb 1.36 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 1pq6 h LEU 404 CO 0.14 -0.39 0.63 0.28 -0.34 0.00 0.00 178.44 178.76 1pq6 h SER 405 N -0.78 1.06 -0.06 1.25 0.02 -1.36 -1.39 113.55 112.29 1pq6 h SER 405 Ca -0.07 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1pq6 h SER 405 Cb 0.58 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1pq6 h SER 405 CO 0.12 0.73 0.02 0.22 -1.14 0.00 0.00 176.83 176.79 1pq6 h TYR 406 N 1.23 0.09 -0.12 3.45 3.20 -1.03 -2.05 116.97 121.74 1pq6 h TYR 406 Ca 0.38 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 1pq6 h TYR 406 Cb -0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1pq6 h TYR 406 CO -0.01 0.20 -0.21 1.79 -1.64 0.00 0.00 178.16 178.30 1pq6 h THR 407 N -0.05 1.21 -0.60 1.81 1.35 -1.15 0.13 112.91 115.60 1pq6 h THR 407 Ca 0.02 -0.97 -0.09 0.00 -0.55 0.00 0.00 66.41 64.82 1pq6 h THR 407 Cb 0.15 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1pq6 h THR 407 CO -0.00 0.29 0.03 0.03 -0.25 0.00 0.00 175.52 175.62 1pq6 h ARG 408 N 0.19 1.03 0.20 4.72 3.08 -1.03 -1.26 114.38 121.31 1pq6 h ARG 408 Ca 0.03 -0.30 -0.34 0.00 0.07 0.00 0.00 59.98 59.44 1pq6 h ARG 408 Cb 0.49 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.45 1pq6 h ARG 408 CO 0.03 0.99 -1.63 0.82 -1.07 0.00 0.00 179.97 179.11 1pq6 h ILE 409 N 0.95 1.04 0.00 2.04 2.04 -1.01 -3.24 117.51 119.33 1pq6 h ILE 409 Ca 0.18 -2.54 -0.18 0.00 1.00 0.00 0.00 64.86 63.31 1pq6 h ILE 409 Cb 0.51 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 1pq6 h ILE 409 CO 0.02 0.83 -1.03 0.50 0.00 0.00 0.00 178.15 178.47 1pq6 h LYS 410 N 0.06 0.00 -2.10 2.37 3.64 -0.83 -3.38 116.57 116.33 1pq6 h LYS 410 Ca -0.32 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.49 1pq6 h LYS 410 Cb 2.07 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.49 1pq6 h LYS 410 CO 0.19 0.65 -0.97 0.54 -2.27 0.00 0.00 179.45 177.59 1pq6 n ARG 411 N -3.19 1.13 0.24 1.90 1.74 -0.47 -4.99 116.66 113.01 1pq6 n ARG 411 Ca -0.04 -3.59 0.12 0.00 -0.77 0.00 0.00 57.85 53.57 1pq6 n ARG 411 Cb 0.88 -1.51 0.58 0.00 -1.02 0.00 0.00 32.46 31.39 1pq6 n ARG 411 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pq6 h PRO 412 N 4.19 0.00 -0.59 5.56 0.13 -1.70 -2.71 132.00 136.87 1pq6 h PRO 412 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1pq6 h PRO 412 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1pq6 h PRO 412 CO 0.55 0.17 0.00 1.04 -0.23 0.00 0.00 178.00 179.53 1pq6 n GLN 413 N -3.45 3.14 -3.88 0.86 1.13 -1.26 -4.65 117.38 109.27 1pq6 n GLN 413 Ca -0.01 -2.63 -0.30 0.00 -1.94 0.00 0.00 57.00 52.12 1pq6 n GLN 413 Cb 0.35 -1.64 -0.12 0.00 0.11 0.00 0.00 30.24 28.94 1pq6 n GLN 413 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1pq6 s ASP 414 N -1.03 4.74 0.32 1.08 2.15 -1.02 -4.98 116.67 117.94 1pq6 s ASP 414 Ca 0.44 -3.38 0.01 0.00 0.43 0.00 0.00 52.55 50.06 1pq6 s ASP 414 Cb 0.26 -1.68 0.54 0.00 -0.30 0.00 0.00 42.92 41.73 1pq6 s ASP 414 CO 0.25 -0.19 1.92 -0.61 -0.17 0.00 0.00 175.17 176.37 1pq6 h GLN 415 N 6.10 0.77 -0.10 4.34 4.15 -1.82 -2.92 115.11 125.63 1pq6 h GLN 415 Ca 0.03 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1pq6 h GLN 415 Cb 0.84 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1pq6 h GLN 415 CO 0.72 0.63 0.00 1.28 -1.93 0.00 0.00 178.83 179.52 1pq6 n LEU 416 N -4.35 1.49 -0.10 -2.39 4.77 -1.26 -4.23 117.00 110.93 1pq6 n LEU 416 Ca 0.04 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.37 1pq6 n LEU 416 Cb 0.15 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1pq6 n LEU 416 CO 0.38 0.29 0.65 -0.09 -1.33 0.00 0.00 177.39 177.28 1pq6 h ARG 417 N 2.12 -0.25 0.38 3.23 1.12 -1.90 -1.06 114.38 118.02 1pq6 h ARG 417 Ca 0.00 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 1pq6 h ARG 417 Cb 0.46 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1pq6 h ARG 417 CO 0.00 -0.17 -0.18 0.35 -3.11 0.00 0.00 179.97 176.86 1pq6 h PHE 418 N -0.26 -0.48 -0.35 2.20 3.57 -1.82 -2.14 116.94 117.66 1pq6 h PHE 418 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1pq6 h PHE 418 Cb 0.53 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1pq6 h PHE 418 CO -0.52 -0.22 0.15 -1.00 -2.23 0.00 0.00 178.31 174.49 1pq6 h PRO 419 N -0.66 0.48 -0.58 6.41 0.13 -1.81 -1.56 132.00 134.41 1pq6 h PRO 419 Ca -0.05 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1pq6 h PRO 419 Cb 0.47 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 1pq6 h PRO 419 CO 0.09 0.39 0.25 0.00 -0.23 0.00 0.00 178.00 178.50 1pq6 h ARG 420 N 0.49 0.84 0.10 0.86 3.08 -0.98 -1.06 114.38 117.71 1pq6 h ARG 420 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1pq6 h ARG 420 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1pq6 h ARG 420 CO -0.01 0.67 -0.05 0.52 -1.07 0.00 0.00 179.97 180.03 1pq6 h MET 421 N 0.83 -0.13 -0.63 0.04 2.86 -0.64 -2.51 114.93 114.75 1pq6 h MET 421 Ca 0.20 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.96 1pq6 h MET 421 Cb 0.14 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1pq6 h MET 421 CO -0.02 0.18 0.42 -0.07 1.06 0.00 0.00 176.91 178.48 1pq6 h LEU 422 N -0.45 0.35 -1.98 1.22 3.38 -1.29 -1.86 115.31 114.69 1pq6 h LEU 422 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1pq6 h LEU 422 Cb 0.37 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1pq6 h LEU 422 CO 0.02 0.21 -0.07 0.24 0.09 0.00 0.00 178.44 178.93 1pq6 h MET 423 N 0.39 0.00 0.00 1.13 2.86 -0.74 -1.29 114.93 117.28 1pq6 h MET 423 Ca 0.29 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1pq6 h MET 423 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1pq6 h MET 423 CO -0.08 0.07 -0.28 0.87 1.06 0.00 0.00 176.91 178.55 1pq6 h LYS 424 N 0.00 0.00 -0.22 1.72 1.79 -1.16 -2.44 116.57 116.26 1pq6 h LYS 424 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1pq6 h LYS 424 Cb 0.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1pq6 h LYS 424 CO 0.01 0.28 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.58 1pq6 h LEU 425 N 0.00 0.30 -0.14 2.94 3.38 -1.31 -0.80 115.31 119.68 1pq6 h LEU 425 Ca -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1pq6 h LEU 425 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1pq6 h LEU 425 CO 0.04 0.36 0.03 0.58 0.09 0.00 0.00 178.44 179.53 1pq6 h VAL 426 N 0.32 1.21 -0.66 1.22 2.07 -1.50 -2.54 116.25 116.36 1pq6 h VAL 426 Ca 0.07 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1pq6 h VAL 426 Cb 0.22 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1pq6 h VAL 426 CO 0.01 0.20 0.39 0.28 0.02 0.00 0.00 177.57 178.46 1pq6 h SER 427 N 0.02 0.60 -0.48 0.57 0.02 -1.30 -2.66 113.55 110.32 1pq6 h SER 427 Ca 0.04 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1pq6 h SER 427 Cb 0.28 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1pq6 h SER 427 CO 0.00 0.40 0.22 -0.07 -1.14 0.00 0.00 176.83 176.24 1pq6 h LEU 428 N 0.73 0.68 -0.39 5.07 3.38 -1.11 -0.10 115.31 123.57 1pq6 h LEU 428 Ca 0.28 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1pq6 h LEU 428 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1pq6 h LEU 428 CO -0.15 0.61 0.23 0.03 0.09 0.00 0.00 178.44 179.25 1pq6 h ARG 429 N 0.75 0.53 -0.73 1.13 2.47 -1.10 -0.93 114.38 116.50 1pq6 h ARG 429 Ca 0.18 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1pq6 h ARG 429 Cb 0.13 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 1pq6 h ARG 429 CO -0.02 0.40 0.25 1.15 0.56 0.00 0.00 179.97 182.31 1pq6 h THR 430 N 0.51 1.26 -0.02 2.04 2.02 -1.36 -2.73 112.91 114.63 1pq6 h THR 430 Ca 0.14 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1pq6 h THR 430 Cb 0.01 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1pq6 h THR 430 CO -0.03 0.34 -0.10 -0.07 0.37 0.00 0.00 175.52 176.04 1pq6 h LEU 431 N 1.08 0.02 -0.70 2.58 -0.00 -0.64 -1.93 115.31 115.72 1pq6 h LEU 431 Ca 0.24 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.07 1pq6 h LEU 431 Cb 0.27 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 1pq6 h LEU 431 CO -0.01 0.13 0.26 -1.28 -0.00 0.00 0.00 178.44 177.54 1pq6 h SER 432 N 0.03 0.99 -0.45 -0.43 0.87 -0.88 -1.06 113.55 112.63 1pq6 h SER 432 Ca 0.01 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 1pq6 h SER 432 Cb 0.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1pq6 h SER 432 CO 0.01 0.91 -0.01 0.28 -0.53 0.00 0.00 176.83 177.49 1pq6 h SER 433 N 1.02 0.78 -0.94 6.23 0.02 -1.26 -2.08 113.55 117.32 1pq6 h SER 433 Ca 0.23 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1pq6 h SER 433 Cb 0.24 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 1pq6 h SER 433 CO -0.02 0.91 0.60 0.58 -1.14 0.00 0.00 176.83 177.76 1pq6 h VAL 434 N 0.64 1.04 -0.53 2.27 2.07 -1.16 -1.26 116.25 119.32 1pq6 h VAL 434 Ca 0.12 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1pq6 h VAL 434 Cb 0.52 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1pq6 h VAL 434 CO 0.03 0.19 0.13 -0.74 0.02 0.00 0.00 177.57 177.20 1pq6 h HIS 435 N 1.06 0.88 -0.92 1.57 6.17 -1.10 -1.40 115.15 121.43 1pq6 h HIS 435 Ca 0.42 -0.10 0.03 0.00 0.71 0.00 0.00 60.37 61.42 1pq6 h HIS 435 Cb 0.22 -0.25 -0.05 0.00 2.52 0.00 0.00 27.41 29.85 1pq6 h HIS 435 CO -0.02 0.77 0.61 0.77 0.71 0.00 0.00 177.93 180.77 1pq6 h SER 436 N 0.74 1.02 -0.24 3.26 0.02 -0.92 0.52 113.55 117.94 1pq6 h SER 436 Ca 0.17 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1pq6 h SER 436 Cb 0.33 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1pq6 h SER 436 CO 0.00 0.71 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.04 1pq6 h GLU 437 N 1.19 0.57 -0.00 3.45 5.08 -0.86 -0.82 114.58 123.19 1pq6 h GLU 437 Ca 0.35 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 1pq6 h GLU 437 Cb -0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1pq6 h GLU 437 CO -0.10 0.62 -0.68 0.37 -1.00 0.00 0.00 179.01 178.22 1pq6 h GLN 438 N 0.54 0.01 -0.29 2.33 5.75 -0.11 -1.46 115.11 121.88 1pq6 h GLN 438 Ca 0.11 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.42 1pq6 h GLN 438 Cb 0.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1pq6 h GLN 438 CO 0.02 0.69 -0.55 0.28 -2.65 0.00 0.00 178.83 176.61 1pq6 h VAL 439 N 0.01 1.27 -0.42 2.39 2.07 -0.51 -2.33 116.25 118.72 1pq6 h VAL 439 Ca -0.01 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1pq6 h VAL 439 Cb 1.21 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1pq6 h VAL 439 CO 0.09 0.57 0.18 0.15 0.02 0.00 0.00 177.57 178.58 1pq6 h PHE 440 N 0.67 0.63 0.00 1.57 3.57 -1.04 -2.44 116.94 119.90 1pq6 h PHE 440 Ca 0.01 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1pq6 h PHE 440 Cb 1.16 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1pq6 h PHE 440 CO 0.07 0.54 -0.10 0.00 -2.23 0.00 0.00 178.31 176.59 1pq6 h ALA 441 N 1.03 1.31 -0.13 2.41 0.00 -1.17 -2.29 119.26 120.43 1pq6 h ALA 441 Ca 0.14 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1pq6 h ALA 441 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pq6 h ALA 441 CO -0.01 0.12 -0.43 -0.07 0.00 0.00 0.00 179.25 178.85 1pq6 h LEU 442 N 0.00 0.60 -0.47 0.00 3.38 -1.07 -2.86 115.31 114.89 1pq6 h LEU 442 Ca -0.00 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.44 1pq6 h LEU 442 Cb 0.28 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1pq6 h LEU 442 CO 0.01 1.11 0.07 0.03 0.09 0.00 0.00 178.44 179.75 1pq6 h ARG 443 N 0.13 0.19 0.00 1.13 2.47 -0.96 -0.96 114.38 116.39 1pq6 h ARG 443 Ca -0.02 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1pq6 h ARG 443 Cb 1.06 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 1pq6 h ARG 443 CO 0.09 0.13 -0.22 1.37 0.56 0.00 0.00 179.97 181.91 1pq6 h LEU 444 N 0.20 0.00 -1.24 3.04 8.10 -1.61 -3.16 115.31 120.63 1pq6 h LEU 444 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.23 1pq6 h LEU 444 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1pq6 h LEU 444 CO -0.33 0.22 0.00 1.67 -4.11 0.00 0.00 178.44 175.89 1pq6 n GLN 445 N -3.20 1.83 -2.10 0.17 7.27 -0.77 -4.91 117.38 115.67 1pq6 n GLN 445 Ca 0.02 -1.08 -0.20 0.00 0.07 0.00 0.00 57.00 55.81 1pq6 n GLN 445 Cb 0.55 -1.33 -0.04 0.00 2.41 0.00 0.00 30.24 31.84 1pq6 n GLN 445 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1pq6 n ASP 446 N 0.33 -5.58 -4.39 1.69 8.00 -0.91 -4.98 116.55 110.71 1pq6 n ASP 446 Ca 0.10 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.38 1pq6 n ASP 446 Cb 0.31 -4.68 -0.12 0.00 -0.02 0.00 0.00 41.12 36.61 1pq6 n ASP 446 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pq6 s LYS 447 N -4.54 3.30 -0.10 -1.24 1.02 -0.44 -5.04 119.74 112.70 1pq6 s LYS 447 Ca 0.00 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1pq6 s LYS 447 Cb 0.00 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 1pq6 s LYS 447 CO 0.00 -0.37 0.42 0.15 -0.92 0.00 0.00 175.35 174.63 1pq6 s LYS 448 N 1.56 4.23 0.34 1.68 -0.14 -1.26 -4.17 119.74 121.97 1pq6 s LYS 448 Ca 0.04 0.36 -0.28 0.00 -1.36 0.00 0.00 55.97 54.72 1pq6 s LYS 448 Cb -0.17 -3.39 -0.10 0.00 -1.68 0.00 0.00 37.83 32.50 1pq6 s LYS 448 CO 0.04 0.30 1.29 -0.51 -0.76 0.00 0.00 175.35 175.70 1pq6 s LEU 449 N 0.20 4.41 0.70 3.17 1.43 -1.26 -5.02 118.68 122.31 1pq6 s LEU 449 Ca 0.23 2.64 -0.15 0.00 -1.03 0.00 0.00 54.13 55.83 1pq6 s LEU 449 Cb -0.15 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.41 1pq6 s LEU 449 CO 0.09 -0.53 1.16 -2.16 0.23 0.00 0.00 176.35 175.14 1pq6 s PRO 450 N -1.82 2.45 0.39 1.29 0.04 -1.26 -4.54 135.00 131.55 1pq6 s PRO 450 Ca 0.49 1.57 0.17 0.00 0.04 0.00 0.00 61.00 63.28 1pq6 s PRO 450 Cb -0.39 -1.89 1.07 0.00 0.04 0.00 0.00 34.50 33.34 1pq6 s PRO 450 CO 0.51 -1.56 1.76 -1.35 0.04 0.00 0.00 177.00 176.41 1pq6 h PRO 451 N -0.16 0.41 -0.16 0.56 0.11 -1.98 -0.12 132.00 130.66 1pq6 h PRO 451 Ca -0.47 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1pq6 h PRO 451 Cb 1.27 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pq6 h PRO 451 CO 0.52 0.27 -0.62 -0.07 -0.21 0.00 0.00 178.00 177.88 1pq6 h LEU 452 N 0.42 0.63 -0.28 2.35 3.38 -2.01 -2.32 115.31 117.48 1pq6 h LEU 452 Ca 0.60 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 58.00 1pq6 h LEU 452 Cb 1.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1pq6 h LEU 452 CO -0.32 1.10 -0.84 -0.07 0.09 0.00 0.00 178.44 178.40 1pq6 h LEU 453 N 0.41 0.49 -1.10 1.67 3.38 -1.74 -3.30 115.31 115.12 1pq6 h LEU 453 Ca -0.01 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1pq6 h LEU 453 Cb 1.19 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1pq6 h LEU 453 CO 0.12 1.14 0.61 -1.28 0.09 0.00 0.00 178.44 179.11 1pq6 h SER 454 N 0.25 0.95 0.06 -0.43 0.87 -0.86 -1.11 113.55 113.27 1pq6 h SER 454 Ca -0.05 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1pq6 h SER 454 Cb 1.45 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1pq6 h SER 454 CO 0.14 0.61 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.69 1pq6 h GLU 455 N 1.08 0.00 0.07 2.24 5.08 -1.49 -2.28 114.58 119.28 1pq6 h GLU 455 Ca 0.40 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.44 1pq6 h GLU 455 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1pq6 h GLU 455 CO -0.15 0.04 -1.76 -0.89 -1.00 0.00 0.00 179.01 175.25 1pq6 n ILE 456 N -4.13 1.68 -0.01 3.13 5.41 -0.50 -4.80 119.36 120.15 1pq6 n ILE 456 Ca -0.03 -0.41 0.03 0.00 1.00 0.00 0.00 62.75 63.34 1pq6 n ILE 456 Cb 0.12 -1.85 -0.06 0.00 -0.71 0.00 0.00 39.64 37.15 1pq6 n ILE 456 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1pq6 n TRP 457 N -3.85 0.00 -2.32 1.39 8.01 -0.76 -5.00 117.44 114.91 1pq6 n TRP 457 Ca -0.33 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.54 1pq6 n TRP 457 Cb 0.91 -0.19 -0.02 0.00 -2.01 0.00 0.00 31.31 30.00 1pq6 n TRP 457 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1pq6 s ASP 458 N -2.95 6.42 0.17 -0.99 1.01 -0.87 -5.03 116.67 114.44 1pq6 s ASP 458 Ca -0.03 1.63 -0.23 0.00 0.71 0.00 0.00 52.55 54.64 1pq6 s ASP 458 Cb 0.05 -2.52 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 1pq6 s ASP 458 CO 0.31 -0.73 0.74 0.68 0.21 0.00 0.00 175.17 176.38 1pq6 s VAL 459 N -2.57 4.47 0.00 -1.27 -7.23 -1.26 -4.93 120.40 107.60 1pq6 s VAL 459 Ca 0.60 1.53 0.00 0.00 -1.81 0.00 0.00 61.98 62.30 1pq6 s VAL 459 Cb -0.11 -4.03 0.00 0.00 0.56 0.00 0.00 36.38 32.80 1pq6 s VAL 459 CO 0.32 0.44 0.00 1.41 -0.31 0.00 0.00 175.10 176.96