#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bqj s PRO 226 N 0.00 3.55 0.25 0.00 0.02 -1.26 -4.39 135.00 133.17 3bqj s PRO 226 Ca 0.00 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 3bqj s PRO 226 Cb 0.00 -2.27 -0.09 0.00 0.02 0.00 0.00 34.50 32.15 3bqj s PRO 226 CO 0.00 -0.73 1.01 0.12 -0.33 0.00 0.00 177.00 177.08 3bqj s PHE 227 N -1.57 3.80 0.12 6.54 5.36 -1.26 -4.83 117.98 126.13 3bqj s PHE 227 Ca 0.67 1.81 -0.07 0.00 -0.96 0.00 0.00 56.93 58.38 3bqj s PHE 227 Cb -0.29 -3.12 -0.01 0.00 -0.34 0.00 0.00 43.02 39.26 3bqj s PHE 227 CO 0.34 -0.01 0.19 0.95 -1.46 0.00 0.00 175.22 175.23 3bqj s THR 228 N -1.10 0.12 0.19 0.12 -4.23 -1.26 -4.92 115.64 104.57 3bqj s THR 228 Ca 0.43 -1.40 0.11 0.00 -1.18 0.00 0.00 61.69 59.65 3bqj s THR 228 Cb -0.29 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 3bqj s THR 228 CO 0.36 -0.53 -0.22 -0.83 -0.54 0.00 0.00 174.62 172.86 3bqj s GLY 229 N -2.93 1.72 0.56 3.99 0.00 -1.26 -4.92 107.32 104.48 3bqj s GLY 229 Ca 0.12 -1.63 -0.18 0.00 0.00 0.00 0.00 44.72 43.03 3bqj s GLY 229 CO -0.05 -1.65 1.11 -4.14 0.00 0.00 0.00 173.10 168.36 3bqj s PRO 230 N -2.73 3.30 -1.01 2.90 0.02 -1.26 -4.86 135.00 131.37 3bqj s PRO 230 Ca 0.22 1.52 -0.16 0.00 0.02 0.00 0.00 61.00 62.60 3bqj s PRO 230 Cb -0.08 -2.01 0.17 0.00 0.02 0.00 0.00 34.50 32.60 3bqj s PRO 230 CO 0.11 -0.87 1.16 0.42 -0.33 0.00 0.00 177.00 177.48 3bqj s ILE 231 N -1.94 5.07 -0.11 2.83 -1.09 -1.26 -4.48 121.20 120.22 3bqj s ILE 231 Ca 0.71 -2.19 -0.10 0.00 -2.23 0.00 0.00 60.65 56.84 3bqj s ILE 231 Cb -0.22 -4.75 0.03 0.00 -1.58 0.00 0.00 42.46 35.93 3bqj s ILE 231 CO 0.29 -1.44 0.28 -0.76 -1.23 0.00 0.00 174.94 172.08 3bqj s LEU 232 N 1.62 0.91 0.60 2.97 1.43 -1.26 -5.06 118.68 119.89 3bqj s LEU 232 Ca 0.33 0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 3bqj s LEU 232 Cb -0.05 0.95 -0.04 0.00 0.03 0.00 0.00 46.19 47.08 3bqj s LEU 232 CO -0.07 -0.10 1.03 0.42 0.23 0.00 0.00 176.35 177.87 3bqj s THR 233 N 0.19 4.26 0.35 5.49 -4.23 -1.26 -4.27 115.64 116.18 3bqj s THR 233 Ca -0.00 0.93 0.10 0.00 -1.18 0.00 0.00 61.69 61.53 3bqj s THR 233 Cb -0.02 -3.59 0.33 0.00 1.34 0.00 0.00 72.50 70.56 3bqj s THR 233 CO 0.00 -0.78 1.84 0.58 -0.54 0.00 0.00 174.62 175.72 3bqj h VAL 234 N 0.17 0.76 0.00 2.29 2.07 -1.86 0.14 116.25 119.81 3bqj h VAL 234 Ca -0.46 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 3bqj h VAL 234 Cb 1.20 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3bqj h VAL 234 CO 0.59 0.12 -0.29 -0.33 0.02 0.00 0.00 177.57 177.68 3bqj h GLU 235 N 0.65 0.00 -0.17 1.57 5.08 -1.87 -2.38 114.58 117.46 3bqj h GLU 235 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3bqj h GLU 235 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3bqj h GLU 235 CO -0.25 0.29 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 3bqj n GLU 236 N -3.40 1.56 -4.26 2.33 1.02 0.46 -4.69 120.64 113.66 3bqj n GLU 236 Ca 0.00 -0.85 -0.28 0.00 -0.02 0.00 0.00 57.16 56.02 3bqj n GLU 236 Cb 0.49 -1.31 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 3bqj n GLU 236 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3bqj s MET 237 N -1.78 2.21 0.08 3.49 -1.94 -0.89 -4.82 119.30 115.64 3bqj s MET 237 Ca 0.27 -2.07 0.07 0.00 -1.71 0.00 0.00 55.69 52.25 3bqj s MET 237 Cb 0.14 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 35.08 3bqj s MET 237 CO 0.21 -0.33 -0.19 -1.54 -0.01 0.00 0.00 175.02 173.17 3bqj s SER 238 N -3.99 2.25 0.29 3.03 1.04 -1.26 -1.35 113.70 113.70 3bqj s SER 238 Ca 0.29 -0.62 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 3bqj s SER 238 Cb 0.02 -0.13 -0.10 0.00 0.10 0.00 0.00 66.02 65.91 3bqj s SER 238 CO 0.16 0.04 1.27 0.21 0.98 0.00 0.00 173.24 175.91 3bqj s ASN 239 N -1.67 6.90 0.00 7.02 3.84 0.17 -1.55 114.94 129.65 3bqj s ASN 239 Ca 0.04 2.54 0.22 0.00 0.21 0.00 0.00 52.86 55.88 3bqj s ASN 239 Cb -0.10 -2.64 0.77 0.00 -0.55 0.00 0.00 41.25 38.74 3bqj s ASN 239 CO 0.03 -0.46 1.57 -1.54 -2.79 0.00 0.00 177.10 173.91 3bqj n SER 240 N 1.32 1.78 -0.03 -4.21 3.41 -1.26 -4.08 113.62 110.55 3bqj n SER 240 Ca 0.01 -1.69 0.01 0.00 -0.26 0.00 0.00 58.87 56.94 3bqj n SER 240 Cb 0.43 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3bqj n SER 240 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3bqj n ARG 241 N 0.39 4.23 -3.65 4.33 1.74 -1.26 -3.76 116.66 118.68 3bqj n ARG 241 Ca 0.17 -0.19 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 3bqj n ARG 241 Cb 0.36 -0.73 -0.07 0.00 -1.02 0.00 0.00 32.46 30.99 3bqj n ARG 241 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3bqj s PHE 242 N -0.90 -1.01 -0.94 -1.55 5.36 -1.26 -4.83 117.98 112.85 3bqj s PHE 242 Ca 0.01 2.01 -0.26 0.00 -0.96 0.00 0.00 56.93 57.73 3bqj s PHE 242 Cb 0.02 0.59 -0.16 0.00 -0.34 0.00 0.00 43.02 43.12 3bqj s PHE 242 CO 0.07 -0.51 2.22 -1.25 -1.46 0.00 0.00 175.22 174.29 3bqj s PRO 243 N 1.69 1.59 -0.01 10.12 0.04 -1.26 -4.36 135.00 142.80 3bqj s PRO 243 Ca -0.10 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.60 3bqj s PRO 243 Cb -0.06 -4.92 0.07 0.00 0.04 0.00 0.00 34.50 29.63 3bqj s PRO 243 CO -0.19 -4.73 0.66 0.96 0.04 0.00 0.00 177.00 173.75 3bqj s ILE 244 N 14.96 0.00 0.91 0.56 -4.36 -1.26 -5.03 121.20 126.98 3bqj s ILE 244 Ca 0.84 -0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 61.12 3bqj s ILE 244 Cb -0.08 -1.00 0.14 0.00 1.25 0.00 0.00 42.46 42.77 3bqj s ILE 244 CO 0.11 -0.00 1.10 -2.16 0.24 0.00 0.00 174.94 174.23 3bqj s PRO 245 N -1.64 1.10 0.67 0.37 0.04 -1.26 0.46 135.00 134.75 3bqj s PRO 245 Ca -0.09 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 3bqj s PRO 245 Cb -0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 3bqj s PRO 245 CO 0.06 -2.43 1.06 -0.51 0.04 0.00 0.00 177.00 175.22 3bqj s LEU 246 N -6.40 3.08 0.00 -3.56 1.43 -0.46 -4.34 118.68 108.43 3bqj s LEU 246 Ca 0.65 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 3bqj s LEU 246 Cb -0.20 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.69 3bqj s LEU 246 CO 0.58 -1.22 0.00 -0.62 0.23 0.00 0.00 176.35 175.32 3bqj n GLU 247 N -2.97 1.95 -3.17 1.70 1.02 0.63 -4.48 120.64 115.33 3bqj n GLU 247 Ca 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.19 3bqj n GLU 247 Cb 0.55 -0.88 0.01 0.00 -0.02 0.00 0.00 31.44 31.10 3bqj n GLU 247 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3bqj n LYS 248 N -1.86 0.39 -4.46 3.49 2.85 -1.11 -4.85 118.16 112.61 3bqj n LYS 248 Ca 0.00 -0.94 -0.30 0.00 -1.05 0.00 0.00 58.31 56.02 3bqj n LYS 248 Cb 0.38 1.30 -0.12 0.00 -0.65 0.00 0.00 35.03 35.94 3bqj n LYS 248 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3bqj s LEU 249 N 0.00 2.73 -0.24 -5.58 1.43 -1.26 -0.55 118.68 115.21 3bqj s LEU 249 Ca 0.17 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 3bqj s LEU 249 Cb -0.02 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.69 3bqj s LEU 249 CO 0.03 0.22 0.58 -0.47 0.23 0.00 0.00 176.35 176.94 3bqj s TYR 250 N -1.05 -0.95 -0.04 0.29 5.04 -1.23 -0.40 117.35 119.01 3bqj s TYR 250 Ca 0.17 1.87 0.02 0.00 -2.44 0.00 0.00 57.07 56.69 3bqj s TYR 250 Cb -0.11 0.53 -0.03 0.00 0.35 0.00 0.00 41.96 42.70 3bqj s TYR 250 CO 0.08 -0.49 -0.09 -0.08 -1.34 0.00 0.00 175.55 173.63 3bqj s THR 251 N 1.79 3.50 0.07 4.34 -1.32 -1.24 -1.58 115.64 121.21 3bqj s THR 251 Ca -0.09 -0.63 -0.26 0.00 -1.21 0.00 0.00 61.69 59.50 3bqj s THR 251 Cb -0.07 -2.44 0.09 0.00 -1.51 0.00 0.00 72.50 68.56 3bqj s THR 251 CO -0.17 0.54 1.17 -0.83 -2.21 0.00 0.00 174.62 173.12 3bqj s GLY 252 N -0.96 -0.07 0.83 6.08 0.00 -1.13 -3.71 107.32 108.37 3bqj s GLY 252 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 3bqj s GLY 252 CO 0.03 3.48 1.11 -4.14 0.00 0.00 0.00 173.10 173.57 3bqj s PRO 253 N -2.18 1.75 0.00 2.90 0.02 -1.26 -3.83 135.00 132.40 3bqj s PRO 253 Ca 0.24 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.50 3bqj s PRO 253 Cb -0.01 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.68 3bqj s PRO 253 CO 0.01 -2.02 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 3bqj n GLY 255 N -0.76 2.25 2.60 0.52 0.00 -1.26 -4.91 105.19 103.63 3bqj n GLY 255 Ca 0.10 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3bqj n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bqj n ALA 256 N 0.00 6.08 -3.11 4.61 0.00 -1.26 -4.99 120.51 121.83 3bqj n ALA 256 Ca 0.00 -3.96 -0.24 0.00 0.00 0.00 0.00 53.44 49.25 3bqj n ALA 256 Cb 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 19.45 17.77 3bqj n ALA 256 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3bqj s PHE 257 N -3.87 1.38 -1.05 0.00 2.99 -1.26 -5.05 117.98 111.12 3bqj s PHE 257 Ca 0.55 -0.42 -0.21 0.00 0.00 0.00 0.00 56.93 56.85 3bqj s PHE 257 Cb 0.45 -0.97 0.07 0.00 0.00 0.00 0.00 43.02 42.57 3bqj s PHE 257 CO -0.23 -0.18 1.43 0.08 -0.00 0.00 0.00 175.22 176.33 3bqj s VAL 258 N 0.28 4.14 -0.55 -0.44 1.01 -1.26 -4.93 120.40 118.65 3bqj s VAL 258 Ca -0.07 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 3bqj s VAL 258 Cb -0.12 -5.02 0.13 0.00 0.00 0.00 0.00 36.38 31.37 3bqj s VAL 258 CO 0.02 -1.86 0.50 -0.69 0.00 0.00 0.00 175.10 173.07 3bqj s VAL 259 N 4.31 5.13 -0.49 2.92 1.01 -1.26 -4.66 120.40 127.35 3bqj s VAL 259 Ca 0.45 -1.59 0.06 0.00 0.00 0.00 0.00 61.98 60.90 3bqj s VAL 259 Cb -0.00 -4.29 0.22 0.00 0.00 0.00 0.00 36.38 32.30 3bqj s VAL 259 CO -0.07 -0.87 0.77 0.00 0.00 0.00 0.00 175.10 174.93 3bqj n GLN 260 N 5.13 0.65 -2.11 2.72 10.64 -1.26 -0.39 117.38 132.77 3bqj n GLN 260 Ca -0.12 -2.03 -0.38 0.00 -1.83 0.00 0.00 57.00 52.65 3bqj n GLN 260 Cb 0.40 -1.46 0.01 0.00 -0.86 0.00 0.00 30.24 28.33 3bqj n GLN 260 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3bqj s PRO 261 N 0.60 3.59 -0.07 2.61 0.04 -1.26 -4.92 135.00 135.59 3bqj s PRO 261 Ca 0.31 1.93 0.16 0.00 0.04 0.00 0.00 61.00 63.45 3bqj s PRO 261 Cb 0.13 -2.39 -0.22 0.00 0.04 0.00 0.00 34.50 32.05 3bqj s PRO 261 CO -0.16 -0.73 0.47 0.94 0.04 0.00 0.00 177.00 177.56 3bqj n GLN 262 N -0.60 0.65 -3.72 4.56 -0.06 -1.26 -4.86 117.38 112.09 3bqj n GLN 262 Ca 0.08 0.12 -0.29 0.00 -2.00 0.00 0.00 57.00 54.91 3bqj n GLN 262 Cb 0.47 -1.67 -0.04 0.00 -4.06 0.00 0.00 30.24 24.94 3bqj n GLN 262 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 3bqj s ASN 263 N -5.66 6.42 -0.16 1.69 0.01 -1.26 -1.71 114.94 114.26 3bqj s ASN 263 Ca -0.06 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 52.52 3bqj s ASN 263 Cb 0.08 -2.03 0.00 0.00 0.41 0.00 0.00 41.25 39.71 3bqj s ASN 263 CO 0.83 0.02 0.14 0.61 -1.51 0.00 0.00 177.10 177.19 3bqj n GLY 264 N -0.29 0.71 2.91 0.66 0.00 -1.25 -4.73 105.19 103.19 3bqj n GLY 264 Ca -0.04 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 3bqj n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bqj s ARG 265 N -5.00 1.53 -0.28 1.61 1.81 -1.26 -4.21 118.95 113.15 3bqj s ARG 265 Ca 0.06 -0.40 -0.16 0.00 -1.72 0.00 0.00 55.73 53.51 3bqj s ARG 265 Cb -0.03 -1.83 0.11 0.00 -0.45 0.00 0.00 34.95 32.75 3bqj s ARG 265 CO 0.09 -0.35 0.81 0.00 -0.68 0.00 0.00 175.30 175.17 3bqj s THR 267 N 1.52 2.92 0.51 0.00 -4.23 0.20 -4.43 115.64 112.13 3bqj s THR 267 Ca -0.10 0.68 0.25 0.00 -1.18 0.00 0.00 61.69 61.34 3bqj s THR 267 Cb -0.04 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.71 3bqj s THR 267 CO -0.18 -0.02 1.74 0.71 -0.54 0.00 0.00 174.62 176.33 3bqj h THR 268 N 1.72 0.00 -0.38 3.99 1.35 -1.29 0.62 112.91 118.93 3bqj h THR 268 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3bqj h THR 268 Cb 1.26 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3bqj h THR 268 CO 0.59 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 3bqj n ASP 269 N -2.68 2.55 0.00 5.36 5.68 -1.25 -4.39 116.55 121.83 3bqj n ASP 269 Ca -0.02 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 3bqj n ASP 269 Cb 0.39 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3bqj n ASP 269 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bqj n GLY 270 N 1.29 0.91 3.43 6.12 0.00 0.22 -3.99 105.19 113.17 3bqj n GLY 270 Ca 0.17 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3bqj n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bqj s VAL 271 N -2.00 5.21 0.22 1.61 1.01 -1.22 -4.50 120.40 120.74 3bqj s VAL 271 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3bqj s VAL 271 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3bqj s VAL 271 CO 0.00 -0.40 1.26 -0.76 0.00 0.00 0.00 175.10 175.21 3bqj s LEU 272 N 1.66 4.44 0.00 3.92 1.43 -1.26 -0.63 118.68 128.24 3bqj s LEU 272 Ca 0.05 2.38 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 3bqj s LEU 272 Cb -0.21 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 3bqj s LEU 272 CO 0.09 -0.46 0.11 0.00 0.23 0.00 0.00 176.35 176.32 3bqj n LEU 273 N 2.26 0.00 0.00 1.79 -0.00 -0.69 -4.95 117.00 115.42 3bqj n LEU 273 Ca 0.04 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.24 3bqj n LEU 273 Cb 0.43 0.73 0.00 0.00 -0.00 0.00 0.00 43.42 44.58 3bqj n LEU 273 CO 0.57 -0.29 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 3bqj n GLY 274 N 0.20 2.38 0.72 1.47 0.00 -1.26 -2.26 105.19 106.44 3bqj n GLY 274 Ca -0.01 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.63 3bqj n GLY 274 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bqj n THR 275 N 0.00 1.95 -2.02 2.61 -2.24 -0.70 -4.59 114.28 109.30 3bqj n THR 275 Ca 0.00 -1.72 -0.42 0.00 -2.27 0.00 0.00 64.05 59.64 3bqj n THR 275 Cb 0.00 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 3bqj n THR 275 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3bqj s THR 276 N -2.42 2.87 0.35 4.28 2.01 -0.96 0.27 115.64 122.04 3bqj s THR 276 Ca 0.36 0.62 0.04 0.00 0.31 0.00 0.00 61.69 63.02 3bqj s THR 276 Cb 0.28 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 3bqj s THR 276 CO 0.09 0.05 0.07 0.00 -0.69 0.00 0.00 174.62 174.14 3bqj s GLN 277 N 1.14 1.74 0.33 4.92 1.03 -1.26 -4.70 119.66 122.86 3bqj s GLN 277 Ca 0.68 -2.00 0.18 0.00 0.04 0.00 0.00 55.36 54.26 3bqj s GLN 277 Cb -0.41 -0.83 0.35 0.00 0.03 0.00 0.00 33.01 32.15 3bqj s GLN 277 CO 0.31 -0.27 1.58 -0.07 -2.54 0.00 0.00 175.29 174.30 3bqj h LEU 278 N 2.00 0.00 -9.53 2.60 3.38 -1.96 -3.46 115.31 108.34 3bqj h LEU 278 Ca -0.40 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.01 3bqj h LEU 278 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3bqj h LEU 278 CO 0.67 0.42 0.01 -0.55 0.09 0.00 0.00 178.44 179.08 3bqj s SER 279 N -6.40 7.02 0.11 -0.43 0.15 -1.26 -4.86 113.70 108.03 3bqj s SER 279 Ca 0.03 1.21 0.07 0.00 0.70 0.00 0.00 55.95 57.96 3bqj s SER 279 Cb 0.09 -2.38 -0.21 0.00 -1.71 0.00 0.00 66.02 61.81 3bqj s SER 279 CO 0.71 0.10 1.26 0.00 1.20 0.00 0.00 173.24 176.50 3bqj h ALA 280 N 5.58 0.37 0.00 5.45 0.00 -1.94 -3.25 119.26 125.48 3bqj h ALA 280 Ca -0.45 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.53 3bqj h ALA 280 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3bqj h ALA 280 CO 0.69 1.26 0.00 -0.39 0.00 0.00 0.00 179.25 180.81 3bqj h VAL 281 N 0.00 0.00 -0.02 0.00 -1.51 -1.96 -3.14 116.25 109.62 3bqj h VAL 281 Ca -0.02 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3bqj h VAL 281 Cb 1.78 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 3bqj h VAL 281 CO 0.13 0.00 -0.20 0.59 -1.23 0.00 0.00 177.57 176.86 3bqj n ASN 282 N -2.72 2.09 -4.73 4.19 5.03 -1.22 -4.82 115.26 113.07 3bqj n ASN 282 Ca 0.02 -1.57 -0.42 0.00 0.87 0.00 0.00 54.58 53.48 3bqj n ASN 282 Cb 0.33 0.18 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 3bqj n ASN 282 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3bqj s ILE 283 N -2.24 2.73 -1.38 2.41 -1.09 -1.19 -2.57 121.20 117.87 3bqj s ILE 283 Ca 0.26 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 3bqj s ILE 283 Cb 0.19 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 3bqj s ILE 283 CO 0.43 0.06 0.00 0.00 -1.23 0.00 0.00 174.94 174.20 3bqj s THR 285 N -2.53 4.53 -0.01 0.00 -4.23 -1.06 -4.17 115.64 108.18 3bqj s THR 285 Ca 0.00 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3bqj s THR 285 Cb 0.00 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.43 3bqj s THR 285 CO 0.00 -0.28 0.00 -0.36 -0.54 0.00 0.00 174.62 173.44 3bqj s PHE 286 N -2.02 0.06 0.08 3.99 0.40 -1.01 -4.85 117.98 114.63 3bqj s PHE 286 Ca 0.32 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.72 3bqj s PHE 286 Cb -0.09 -0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.33 3bqj s PHE 286 CO 0.25 -0.02 -0.13 1.03 0.70 0.00 0.00 175.22 177.05 3bqj s ARG 287 N 0.22 0.83 0.00 0.44 0.52 -1.26 -0.01 118.95 119.69 3bqj s ARG 287 Ca -0.02 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 3bqj s ARG 287 Cb -0.03 -0.74 0.00 0.00 0.52 0.00 0.00 34.95 34.70 3bqj s ARG 287 CO -0.01 0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.88 3bqj n GLY 288 N 1.04 -0.64 3.49 -3.53 0.00 -0.60 -0.32 105.19 104.63 3bqj n GLY 288 Ca -0.19 0.42 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 3bqj n GLY 288 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bqj s ASP 289 N -4.00 -0.60 0.07 1.61 1.11 -1.00 -3.20 116.67 110.65 3bqj s ASP 289 Ca 0.00 0.46 0.05 0.00 0.18 0.00 0.00 52.55 53.24 3bqj s ASP 289 Cb 0.00 0.54 -0.03 0.00 1.07 0.00 0.00 42.92 44.50 3bqj s ASP 289 CO 0.00 -0.70 -0.15 0.68 1.18 0.00 0.00 175.17 176.18 3bqj s VAL 290 N -2.02 1.17 -0.19 -1.27 -7.23 -1.26 0.28 120.40 109.88 3bqj s VAL 290 Ca -0.06 -1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3bqj s VAL 290 Cb -0.00 -1.10 0.05 0.00 0.56 0.00 0.00 36.38 35.88 3bqj s VAL 290 CO 0.02 -0.15 -0.05 0.42 -0.31 0.00 0.00 175.10 175.02 3bqj s THR 291 N -1.16 1.24 -0.03 5.32 -4.23 0.04 -4.28 115.64 112.54 3bqj s THR 291 Ca -0.00 -0.82 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 3bqj s THR 291 Cb -0.09 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 3bqj s THR 291 CO 0.02 0.06 1.05 -0.83 -0.54 0.00 0.00 174.62 174.38 3bqj s GLY 292 N 1.56 2.58 0.36 3.99 0.00 -1.26 -2.30 107.32 112.26 3bqj s GLY 292 Ca -0.01 0.55 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 3bqj s GLY 292 CO -0.07 1.87 1.14 0.54 0.00 0.00 0.00 173.10 176.57 3bqj s VAL 293 N 1.44 3.32 0.40 1.40 0.11 -1.25 -4.96 120.40 120.86 3bqj s VAL 293 Ca 0.52 1.16 -0.27 0.00 -2.93 0.00 0.00 61.98 60.47 3bqj s VAL 293 Cb -0.22 -3.67 -0.10 0.00 -1.53 0.00 0.00 36.38 30.86 3bqj s VAL 293 CO 0.25 0.15 1.43 0.00 -3.33 0.00 0.00 175.10 173.59 3bqj s ALA 294 N -1.38 3.41 -0.37 1.54 0.00 -1.26 -4.86 121.76 118.85 3bqj s ALA 294 Ca 0.53 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.87 3bqj s ALA 294 Cb -0.30 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.26 3bqj s ALA 294 CO 0.38 -1.04 0.21 0.41 0.00 0.00 0.00 175.76 175.73 3bqj n GLY 295 N 0.56 -0.30 0.51 0.00 0.00 -1.26 -5.19 105.19 99.49 3bqj n GLY 295 Ca 0.03 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3bqj n GLY 295 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bqj n ASP 298 N -0.16 -2.24 -3.51 1.61 8.00 -1.26 -5.29 116.55 113.69 3bqj n ASP 298 Ca -0.05 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.47 3bqj n ASP 298 Cb 0.19 -1.80 -0.05 0.00 -0.02 0.00 0.00 41.12 39.44 3bqj n ASP 298 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bqj s TYR 299 N -1.93 -0.62 -0.03 1.24 1.51 -0.06 -3.97 117.35 113.50 3bqj s TYR 299 Ca 0.00 0.93 0.05 0.00 -1.01 0.00 0.00 57.07 57.04 3bqj s TYR 299 Cb 0.00 0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 42.25 3bqj s TYR 299 CO 0.00 -0.65 -0.16 0.96 -1.11 0.00 0.00 175.55 174.59 3bqj s ILE 300 N -1.74 2.92 -0.14 2.71 -4.36 -0.97 -0.33 121.20 119.30 3bqj s ILE 300 Ca -0.09 -0.86 -0.02 0.00 -0.26 0.00 0.00 60.65 59.43 3bqj s ILE 300 Cb -0.00 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 3bqj s ILE 300 CO 0.05 0.53 -0.09 -0.32 0.24 0.00 0.00 174.94 175.35 3bqj s MET 301 N -0.88 3.50 -0.47 0.37 1.75 0.33 -0.78 119.30 123.11 3bqj s MET 301 Ca 0.12 -0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 53.72 3bqj s MET 301 Cb -0.11 -2.75 0.03 0.00 2.84 0.00 0.00 34.83 34.84 3bqj s MET 301 CO 0.02 0.21 0.75 -0.80 -0.65 0.00 0.00 175.02 174.54 3bqj s ASN 302 N 0.39 6.35 0.22 1.11 0.01 0.14 -2.17 114.94 120.99 3bqj s ASN 302 Ca -0.08 -0.30 -0.32 0.00 -0.71 0.00 0.00 52.86 51.45 3bqj s ASN 302 Cb -0.15 -2.36 -0.13 0.00 0.41 0.00 0.00 41.25 39.01 3bqj s ASN 302 CO 0.04 -0.91 1.51 0.18 -1.51 0.00 0.00 177.10 176.41 3bqj n LEU 303 N 6.62 3.31 -4.74 0.60 4.77 -0.02 -2.38 117.00 125.17 3bqj n LEU 303 Ca 0.00 1.12 -0.24 0.00 -0.03 0.00 0.00 56.01 56.86 3bqj n LEU 303 Cb 0.48 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.04 3bqj n LEU 303 CO 0.57 -0.29 -0.17 0.00 -1.33 0.00 0.00 177.39 176.17 3bqj s ALA 304 N 0.38 3.56 0.58 -1.18 0.00 0.57 -4.21 121.76 121.46 3bqj s ALA 304 Ca 0.72 -1.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 3bqj s ALA 304 Cb -0.63 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3bqj s ALA 304 CO 0.44 -0.07 1.09 -1.12 0.00 0.00 0.00 175.76 176.10 3bqj s SER 305 N -3.88 5.65 0.55 0.00 0.01 0.16 -4.68 113.70 111.51 3bqj s SER 305 Ca 0.40 1.99 0.37 0.00 1.31 0.00 0.00 55.95 60.02 3bqj s SER 305 Cb 0.00 -2.56 1.56 0.00 0.21 0.00 0.00 66.02 65.24 3bqj s SER 305 CO 0.23 -1.26 1.79 0.06 0.41 0.00 0.00 173.24 174.47 3bqj h GLN 306 N 0.70 0.00 -0.79 12.44 -0.00 -1.93 2.21 115.11 127.74 3bqj h GLN 306 Ca -0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.02 3bqj h GLN 306 Cb 1.24 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.63 3bqj h GLN 306 CO 0.57 0.00 0.19 0.27 -0.00 0.00 0.00 178.83 179.85 3bqj n ASN 307 N -4.15 4.31 0.00 0.06 2.04 -1.26 -4.87 115.26 111.39 3bqj n ASN 307 Ca 0.26 -2.92 0.00 0.00 -0.44 0.00 0.00 54.58 51.48 3bqj n ASN 307 Cb 1.28 -0.69 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 3bqj n ASN 307 CO 0.00 0.00 0.00 0.79 -0.44 0.00 0.00 177.26 177.61 3bqj n TRP 308 N 0.02 0.00 -0.54 -2.53 7.02 0.75 -5.00 117.44 117.16 3bqj n TRP 308 Ca 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 3bqj n TRP 308 Cb 1.15 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 29.56 3bqj n TRP 308 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3bqj n ASN 309 N -0.05 -0.10 -4.80 -0.99 5.03 -1.23 -4.47 115.26 108.65 3bqj n ASN 309 Ca 0.00 -0.54 -0.34 0.00 0.87 0.00 0.00 54.58 54.56 3bqj n ASN 309 Cb 0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.72 3bqj n ASN 309 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3bqj s ASN 310 N -1.08 6.93 -0.05 6.41 0.01 -1.26 0.36 114.94 126.25 3bqj s ASN 310 Ca 0.00 1.80 -0.13 0.00 -0.71 0.00 0.00 52.86 53.82 3bqj s ASN 310 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 3bqj s ASN 310 CO 0.00 -0.37 0.33 -0.47 -1.51 0.00 0.00 177.10 175.08 3bqj s TYR 311 N -1.96 3.66 -0.38 2.20 5.04 -1.26 -4.14 117.35 120.51 3bqj s TYR 311 Ca 0.59 0.82 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 3bqj s TYR 311 Cb -0.14 -2.21 0.10 0.00 0.35 0.00 0.00 41.96 40.06 3bqj s TYR 311 CO 0.18 0.61 0.15 0.34 -1.34 0.00 0.00 175.55 175.49 3bqj s ASP 312 N -0.84 5.13 0.57 4.32 -1.08 -1.26 -4.96 116.67 118.56 3bqj s ASP 312 Ca 0.21 -1.95 0.30 0.00 -0.52 0.00 0.00 52.55 50.59 3bqj s ASP 312 Cb -0.15 -1.78 1.65 0.00 -1.46 0.00 0.00 42.92 41.18 3bqj s ASP 312 CO 0.10 -0.48 1.91 -0.65 0.52 0.00 0.00 175.17 176.57 3bqj h PRO 313 N 7.97 0.00 0.04 4.34 0.11 -1.92 -3.10 132.00 139.45 3bqj h PRO 313 Ca -0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3bqj h PRO 313 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3bqj h PRO 313 CO 0.65 0.00 -0.02 1.15 -0.21 0.00 0.00 178.00 179.57 3bqj h THR 314 N 0.00 1.21 -0.52 -1.15 2.02 -1.92 -3.47 112.91 109.07 3bqj h THR 314 Ca 0.00 -0.82 -0.34 0.00 0.77 0.00 0.00 66.41 66.02 3bqj h THR 314 Cb 0.39 1.75 0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3bqj h THR 314 CO 0.00 0.21 -0.28 1.21 0.37 0.00 0.00 175.52 177.03 3bqj n GLU 315 N -4.94 0.00 -0.96 6.66 2.13 -1.17 -4.68 120.64 117.68 3bqj n GLU 315 Ca -0.08 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.50 3bqj n GLU 315 Cb 0.20 -0.51 -0.06 0.00 0.27 0.00 0.00 31.44 31.34 3bqj n GLU 315 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3bqj n GLU 316 N 0.52 2.51 -4.29 5.31 1.02 -1.26 -4.89 120.64 119.56 3bqj n GLU 316 Ca 0.09 -1.52 -0.16 0.00 -0.02 0.00 0.00 57.16 55.55 3bqj n GLU 316 Cb 0.13 -2.41 -0.10 0.00 -0.02 0.00 0.00 31.44 29.04 3bqj n GLU 316 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3bqj s ILE 317 N 2.37 1.44 0.44 -3.67 -4.36 -1.26 -4.84 121.20 111.32 3bqj s ILE 317 Ca 0.54 -2.09 0.11 0.00 -0.26 0.00 0.00 60.65 58.95 3bqj s ILE 317 Cb 0.17 -1.90 0.23 0.00 1.25 0.00 0.00 42.46 42.21 3bqj s ILE 317 CO -0.03 -0.65 2.04 -0.65 0.24 0.00 0.00 174.94 175.89 3bqj h PRO 318 N 2.76 0.26 0.00 0.37 0.11 -1.62 -3.44 132.00 130.43 3bqj h PRO 318 Ca -0.38 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.97 3bqj h PRO 318 Cb 1.20 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3bqj h PRO 318 CO 0.62 0.24 0.75 0.00 -0.21 0.00 0.00 178.00 179.40 3bqj n ALA 319 N -2.50 -3.09 -1.70 -0.75 0.00 -1.26 -4.51 120.51 106.70 3bqj n ALA 319 Ca -0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 3bqj n ALA 319 Cb 0.14 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 3bqj n ALA 319 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3bqj n PRO 320 N -0.80 2.22 -1.69 0.00 -0.02 -1.26 -4.85 135.00 128.60 3bqj n PRO 320 Ca 0.02 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 3bqj n PRO 320 Cb 0.54 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3bqj n PRO 320 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3bqj n LEU 321 N 1.70 3.48 0.00 2.45 4.77 -1.26 -2.07 117.00 126.07 3bqj n LEU 321 Ca 0.09 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 3bqj n LEU 321 Cb 0.34 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 3bqj n LEU 321 CO 0.63 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3bqj n GLY 322 N 0.82 3.34 3.68 -0.72 0.00 0.14 -4.92 105.19 107.53 3bqj n GLY 322 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3bqj n GLY 322 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bqj n THR 323 N -1.68 2.61 -1.57 2.61 -1.04 -0.88 -0.48 114.28 113.84 3bqj n THR 323 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 3bqj n THR 323 Cb 0.00 -1.46 0.05 0.00 -1.82 0.00 0.00 70.33 67.10 3bqj n THR 323 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3bqj n PRO 324 N 0.01 0.78 -2.70 -2.82 -0.02 -1.26 -4.75 135.00 124.24 3bqj n PRO 324 Ca 0.08 0.31 -0.20 0.00 -2.02 0.00 0.00 63.50 61.66 3bqj n PRO 324 Cb 0.40 -2.03 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3bqj n PRO 324 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3bqj n ASP 325 N -0.41 3.18 -3.61 2.55 5.75 -1.26 -4.85 116.55 117.90 3bqj n ASP 325 Ca 0.13 -3.31 -0.01 0.00 -0.01 0.00 0.00 54.79 51.59 3bqj n ASP 325 Cb 0.47 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 3bqj n ASP 325 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3bqj s PHE 326 N -3.26 -0.07 -0.19 2.11 -0.12 -1.25 -4.49 117.98 110.71 3bqj s PHE 326 Ca 0.41 0.01 -0.08 0.00 -0.05 0.00 0.00 56.93 57.22 3bqj s PHE 326 Cb 0.39 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 43.26 3bqj s PHE 326 CO -0.10 -0.17 0.08 0.08 -0.05 0.00 0.00 175.22 175.06 3bqj s VAL 327 N -2.31 4.97 -0.11 -2.49 1.01 0.29 -4.45 120.40 117.31 3bqj s VAL 327 Ca 0.12 0.03 -0.33 0.00 0.00 0.00 0.00 61.98 61.80 3bqj s VAL 327 Cb 0.02 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 33.29 3bqj s VAL 327 CO -0.04 0.45 1.42 -0.83 0.00 0.00 0.00 175.10 176.10 3bqj s GLY 328 N 0.38 -0.46 -0.77 4.51 0.00 -1.26 0.18 107.32 109.90 3bqj s GLY 328 Ca 0.05 1.06 -0.16 0.00 0.00 0.00 0.00 44.72 45.66 3bqj s GLY 328 CO -0.00 0.23 0.81 0.54 0.00 0.00 0.00 173.10 174.67 3bqj s LYS 329 N -2.07 3.41 -0.30 2.90 1.02 -1.26 -1.80 119.74 121.64 3bqj s LYS 329 Ca 0.14 -1.96 -0.29 0.00 0.02 0.00 0.00 55.97 53.88 3bqj s LYS 329 Cb 0.06 -4.49 0.01 0.00 -0.52 0.00 0.00 37.83 32.89 3bqj s LYS 329 CO -0.06 -1.46 1.19 0.42 -0.92 0.00 0.00 175.35 174.52 3bqj s ILE 330 N 1.47 4.31 -0.01 2.17 1.01 -1.00 -2.40 121.20 126.75 3bqj s ILE 330 Ca 0.18 1.50 -0.09 0.00 0.00 0.00 0.00 60.65 62.25 3bqj s ILE 330 Cb -0.14 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 3bqj s ILE 330 CO -0.04 -0.47 0.29 -1.58 0.00 0.00 0.00 174.94 173.15 3bqj s GLN 331 N 3.90 3.66 0.00 2.79 0.74 0.83 -1.41 119.66 130.16 3bqj s GLN 331 Ca 0.51 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.99 3bqj s GLN 331 Cb -0.15 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3bqj s GLN 331 CO 0.19 0.67 0.00 0.41 -0.55 0.00 0.00 175.29 176.02 3bqj n GLY 332 N 1.44 3.11 2.99 2.59 0.00 0.92 -2.33 105.19 113.91 3bqj n GLY 332 Ca -0.13 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 3bqj n GLY 332 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bqj s MET 333 N 2.75 0.67 -0.26 1.61 -1.94 -0.60 -2.07 119.30 119.46 3bqj s MET 333 Ca 0.00 -0.25 -0.09 0.00 -1.71 0.00 0.00 55.69 53.64 3bqj s MET 333 Cb 0.00 -0.65 -0.04 0.00 2.01 0.00 0.00 34.83 36.15 3bqj s MET 333 CO 0.00 0.13 0.12 -0.51 -0.01 0.00 0.00 175.02 174.75 3bqj s LEU 334 N -0.01 3.74 0.11 -0.03 1.43 -0.68 -0.69 118.68 122.54 3bqj s LEU 334 Ca 0.01 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3bqj s LEU 334 Cb -0.05 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3bqj s LEU 334 CO -0.00 -0.02 -0.17 0.42 0.23 0.00 0.00 176.35 176.80 3bqj s THR 335 N 1.58 2.89 0.24 5.49 -4.23 0.13 -1.72 115.64 120.01 3bqj s THR 335 Ca 0.06 -1.45 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 3bqj s THR 335 Cb -0.15 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3bqj s THR 335 CO 0.07 0.13 0.39 -1.58 -0.54 0.00 0.00 174.62 173.09 3bqj s GLN 336 N -2.07 1.47 -0.22 3.99 0.74 0.06 0.01 119.66 123.63 3bqj s GLN 336 Ca 0.18 -1.34 -0.03 0.00 0.05 0.00 0.00 55.36 54.21 3bqj s GLN 336 Cb -0.11 0.42 0.11 0.00 1.10 0.00 0.00 33.01 34.53 3bqj s GLN 336 CO 0.10 -0.58 0.27 0.99 -0.55 0.00 0.00 175.29 175.51 3bqj s THR 337 N -4.05 -0.40 -0.81 -0.34 2.01 -1.25 -1.89 115.64 108.91 3bqj s THR 337 Ca 0.26 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 3bqj s THR 337 Cb 0.01 -0.75 -0.10 0.00 0.01 0.00 0.00 72.50 71.67 3bqj s THR 337 CO 0.10 -0.22 2.22 -0.89 -0.69 0.00 0.00 174.62 175.13 3bqj s THR 338 N 2.38 3.19 0.00 -0.82 2.01 -0.36 -4.54 115.64 117.50 3bqj s THR 338 Ca 0.09 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3bqj s THR 338 Cb -0.15 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3bqj s THR 338 CO -0.16 -0.40 0.00 -1.14 -0.69 0.00 0.00 174.62 172.23 3bqj n ARG 339 N 8.86 0.00 0.00 4.92 3.00 -1.26 -3.43 116.66 128.74 3bqj n ARG 339 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 3bqj n ARG 339 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3bqj n ARG 339 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3bqj n GLU 340 N 0.00 0.00 0.11 -0.14 1.02 -1.26 -4.00 120.64 116.36 3bqj n GLU 340 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3bqj n GLU 340 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3bqj n GLU 340 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3bqj n ASP 341 N 0.00 -1.90 0.00 1.62 2.03 -1.25 -5.08 116.55 111.98 3bqj n ASP 341 Ca 0.00 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.72 3bqj n ASP 341 Cb 0.00 2.03 0.00 0.00 -0.72 0.00 0.00 41.12 42.43 3bqj n ASP 341 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bqj n GLY 342 N -1.48 2.46 3.39 0.27 0.00 -1.22 -5.12 105.19 103.48 3bqj n GLY 342 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3bqj n GLY 342 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bqj n SER 343 N 0.00 -1.98 -3.92 1.61 3.41 -1.26 -4.76 113.62 106.72 3bqj n SER 343 Ca 0.00 0.54 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 3bqj n SER 343 Cb 0.00 -1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 62.75 3bqj n SER 343 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3bqj s THR 344 N -1.96 0.09 -0.04 6.66 -4.23 -1.26 -1.22 115.64 113.67 3bqj s THR 344 Ca 0.62 -1.31 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 3bqj s THR 344 Cb -0.34 -1.69 0.10 0.00 1.34 0.00 0.00 72.50 71.91 3bqj s THR 344 CO 0.62 -0.39 0.89 0.00 -0.54 0.00 0.00 174.62 175.19 3bqj s ARG 345 N -3.94 0.80 -0.09 3.99 1.70 -0.79 -4.94 118.95 115.68 3bqj s ARG 345 Ca 0.14 -0.17 -0.16 0.00 -0.47 0.00 0.00 55.73 55.07 3bqj s ARG 345 Cb 0.04 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3bqj s ARG 345 CO -0.03 -0.32 0.39 0.00 -1.08 0.00 0.00 175.30 174.25 3bqj s ALA 346 N -2.57 -0.98 0.01 7.88 0.00 -1.26 -0.76 121.76 124.08 3bqj s ALA 346 Ca 0.02 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 3bqj s ALA 346 Cb -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 3bqj s ALA 346 CO -0.06 -0.23 0.09 -1.01 0.00 0.00 0.00 175.76 174.55 3bqj s HIS 347 N -0.46 0.10 0.90 0.00 3.76 -0.70 -4.97 115.29 113.92 3bqj s HIS 347 Ca -0.06 -0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 54.49 3bqj s HIS 347 Cb -0.04 -0.09 0.08 0.00 1.11 0.00 0.00 32.58 33.65 3bqj s HIS 347 CO 0.03 -0.26 0.85 1.17 -0.85 0.00 0.00 174.74 175.68 3bqj n LYS 348 N 1.51 -0.24 -3.62 1.40 4.81 -1.26 -1.68 118.16 119.08 3bqj n LYS 348 Ca -0.23 -0.01 -0.07 0.00 -0.87 0.00 0.00 58.31 57.13 3bqj n LYS 348 Cb 0.55 -2.17 -0.05 0.00 0.02 0.00 0.00 35.03 33.38 3bqj n LYS 348 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bqj s ALA 349 N -2.41 -2.04 0.33 3.14 0.00 -0.88 -2.66 121.76 117.24 3bqj s ALA 349 Ca 0.64 1.74 0.05 0.00 0.00 0.00 0.00 51.96 54.39 3bqj s ALA 349 Cb -0.24 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 3bqj s ALA 349 CO 0.60 -0.25 0.01 0.99 0.00 0.00 0.00 175.76 177.12 3bqj s THR 350 N -0.73 1.47 -0.28 0.00 2.01 -1.23 -0.05 115.64 116.83 3bqj s THR 350 Ca 0.03 -2.04 -0.02 0.00 0.31 0.00 0.00 61.69 59.98 3bqj s THR 350 Cb -0.02 -2.72 0.17 0.00 0.01 0.00 0.00 72.50 69.94 3bqj s THR 350 CO -0.05 -0.09 0.51 0.54 -0.69 0.00 0.00 174.62 174.84 3bqj s VAL 351 N -3.11 -0.85 -0.06 3.82 0.11 -0.50 -1.31 120.40 118.50 3bqj s VAL 351 Ca 0.34 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 3bqj s VAL 351 Cb 0.07 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3bqj s VAL 351 CO 0.15 -0.05 1.13 -0.55 -3.33 0.00 0.00 175.10 172.45 3bqj s SER 352 N 2.74 7.13 0.00 3.54 0.15 -1.26 -2.39 113.70 123.60 3bqj s SER 352 Ca 0.18 1.73 0.13 0.00 0.70 0.00 0.00 55.95 58.68 3bqj s SER 352 Cb -0.15 -2.56 0.56 0.00 -1.71 0.00 0.00 66.02 62.16 3bqj s SER 352 CO -0.19 -0.52 1.39 0.35 1.20 0.00 0.00 173.24 175.46 3bqj n THR 353 N 4.53 0.17 -0.10 6.45 -2.24 -0.74 -2.69 114.28 119.66 3bqj n THR 353 Ca 0.10 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3bqj n THR 353 Cb 0.47 0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.63 3bqj n THR 353 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bqj n GLY 354 N 0.87 -0.87 3.56 3.38 0.00 -1.26 -4.44 105.19 106.43 3bqj n GLY 354 Ca 0.11 -0.30 -0.48 0.00 0.00 0.00 0.00 46.02 45.34 3bqj n GLY 354 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bqj n SER 355 N -2.78 2.82 0.00 1.61 2.88 -1.09 -4.73 113.62 112.33 3bqj n SER 355 Ca -0.33 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3bqj n SER 355 Cb 1.11 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 3bqj n SER 355 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3bqj n VAL 356 N 6.74 0.00 -0.30 2.46 0.24 -1.26 0.18 118.33 126.39 3bqj n VAL 356 Ca 0.33 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.71 3bqj n VAL 356 Cb 0.31 -0.73 0.24 0.00 -1.47 0.00 0.00 33.84 32.18 3bqj n VAL 356 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3bqj n HIS 357 N -0.56 0.75 -3.05 6.34 -0.00 -1.26 -4.39 115.22 113.05 3bqj n HIS 357 Ca 0.00 -0.51 -0.44 0.00 -0.00 0.00 0.00 57.72 56.76 3bqj n HIS 357 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 29.95 3bqj n HIS 357 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3bqj s PHE 358 N -1.08 3.51 -0.64 4.41 5.36 0.48 -3.94 117.98 126.08 3bqj s PHE 358 Ca 0.36 -1.94 0.04 0.00 -0.96 0.00 0.00 56.93 54.44 3bqj s PHE 358 Cb 0.19 -4.17 0.33 0.00 -0.34 0.00 0.00 43.02 39.03 3bqj s PHE 358 CO 0.24 -1.31 1.03 0.25 -1.46 0.00 0.00 175.22 173.96 3bqj n THR 359 N 4.56 3.35 -0.38 0.12 -2.24 -0.55 -4.05 114.28 115.10 3bqj n THR 359 Ca 0.27 -5.60 -0.01 0.00 -2.27 0.00 0.00 64.05 56.44 3bqj n THR 359 Cb 0.45 -1.49 0.12 0.00 -2.10 0.00 0.00 70.33 67.31 3bqj n THR 359 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3bqj h PRO 360 N 3.25 1.29 -0.75 -0.78 0.13 -1.25 0.11 132.00 134.00 3bqj h PRO 360 Ca 0.18 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3bqj h PRO 360 Cb 0.50 -0.29 -0.03 0.00 0.13 0.00 0.00 31.00 31.30 3bqj h PRO 360 CO 0.86 0.85 0.39 -0.22 -0.23 0.00 0.00 178.00 179.66 3bqj h LYS 361 N 1.33 1.06 0.00 0.86 1.63 -1.58 0.20 116.57 120.07 3bqj h LYS 361 Ca 0.38 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3bqj h LYS 361 Cb -0.09 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.34 3bqj h LYS 361 CO -0.10 0.81 -0.11 -0.07 -3.45 0.00 0.00 179.45 176.52 3bqj h LEU 362 N 1.04 0.00 0.00 5.20 3.38 -1.54 -3.42 115.31 119.97 3bqj h LEU 362 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3bqj h LEU 362 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bqj h LEU 362 CO -0.04 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3bqj n GLY 363 N -0.26 1.35 3.08 0.83 0.00 0.71 -4.92 105.19 105.98 3bqj n GLY 363 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3bqj n GLY 363 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bqj s SER 364 N -2.00 -0.08 -0.15 1.61 1.04 0.24 -0.84 113.70 113.52 3bqj s SER 364 Ca 0.00 0.07 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 3bqj s SER 364 Cb 0.00 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.44 3bqj s SER 364 CO 0.00 -0.22 0.44 -0.69 0.98 0.00 0.00 173.24 173.75 3bqj s VAL 365 N -0.67 0.00 -0.06 5.02 1.01 -0.92 -1.49 120.40 123.30 3bqj s VAL 365 Ca -0.08 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3bqj s VAL 365 Cb -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3bqj s VAL 365 CO 0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 175.10 174.89 3bqj s GLN 366 N 0.09 2.60 -0.01 2.72 -2.07 -1.25 0.12 119.66 121.86 3bqj s GLN 366 Ca -0.01 -0.82 0.02 0.00 -1.82 0.00 0.00 55.36 52.73 3bqj s GLN 366 Cb -0.03 -2.27 -0.03 0.00 -1.09 0.00 0.00 33.01 29.58 3bqj s GLN 366 CO 0.01 0.44 -0.04 0.71 -1.32 0.00 0.00 175.29 175.09 3bqj s TYR 367 N -0.29 2.96 -1.19 9.60 1.51 0.56 -4.67 117.35 125.82 3bqj s TYR 367 Ca 0.01 0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.99 3bqj s TYR 367 Cb -0.13 -1.64 0.22 0.00 -0.11 0.00 0.00 41.96 40.30 3bqj s TYR 367 CO 0.03 0.40 1.53 -2.37 -1.11 0.00 0.00 175.55 174.03 3bqj n THR 368 N 1.60 4.59 0.00 -0.71 5.66 -0.43 -0.89 114.28 124.10 3bqj n THR 368 Ca -0.16 -5.01 0.00 0.00 -3.05 0.00 0.00 64.05 55.83 3bqj n THR 368 Cb 0.53 -2.37 0.00 0.00 -1.55 0.00 0.00 70.33 66.94 3bqj n THR 368 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3bqj n THR 369 N 3.11 0.00 -3.19 1.09 -2.24 -1.26 -3.54 114.28 108.25 3bqj n THR 369 Ca 0.33 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.91 3bqj n THR 369 Cb 0.38 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 3bqj n THR 369 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bqj n ASP 370 N -0.46 0.61 0.00 3.42 9.92 -1.09 -4.79 116.55 124.16 3bqj n ASP 370 Ca 0.00 -2.90 0.00 0.00 -0.53 0.00 0.00 54.79 51.36 3bqj n ASP 370 Cb 0.00 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 3bqj n ASP 370 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 3bqj n THR 371 N 0.66 0.00 0.00 -3.53 5.66 -1.26 -4.71 114.28 111.10 3bqj n THR 371 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 3bqj n THR 371 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 3bqj n THR 371 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3bqj n LEU 375 N 0.00 0.00 -4.30 1.09 7.94 -1.26 -4.69 117.00 115.79 3bqj n LEU 375 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3bqj n LEU 375 Cb 0.00 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.17 3bqj n LEU 375 CO 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 177.39 176.24 3bqj n GLN 376 N 0.00 -2.46 -4.20 1.96 6.02 -1.26 -4.76 117.38 112.67 3bqj n GLN 376 Ca 0.00 -0.71 -0.29 0.00 -0.01 0.00 0.00 57.00 55.99 3bqj n GLN 376 Cb 0.00 -1.85 -0.09 0.00 1.02 0.00 0.00 30.24 29.32 3bqj n GLN 376 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3bqj s THR 377 N -2.25 3.57 0.00 5.09 -4.23 -1.26 -4.48 115.64 112.07 3bqj s THR 377 Ca 0.59 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 3bqj s THR 377 Cb -0.16 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 70.98 3bqj s THR 377 CO 0.61 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 3bqj n GLY 378 N 0.48 1.38 3.79 3.99 0.00 -1.26 -5.04 105.19 108.53 3bqj n GLY 378 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3bqj n GLY 378 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bqj s GLN 379 N -0.63 3.09 -0.21 1.61 -1.52 -1.26 -5.00 119.66 115.74 3bqj s GLN 379 Ca 0.00 -0.48 -0.28 0.00 -1.95 0.00 0.00 55.36 52.64 3bqj s GLN 379 Cb 0.00 -2.87 -0.05 0.00 -0.22 0.00 0.00 33.01 29.87 3bqj s GLN 379 CO 0.00 0.64 2.07 -0.80 -0.25 0.00 0.00 175.29 176.96 3bqj s ASN 380 N -1.80 5.71 -0.15 5.90 0.01 -1.26 -4.30 114.94 119.04 3bqj s ASN 380 Ca 0.24 1.86 -0.05 0.00 -0.71 0.00 0.00 52.86 54.19 3bqj s ASN 380 Cb -0.12 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 3bqj s ASN 380 CO 0.15 -1.76 0.03 -0.89 -1.51 0.00 0.00 177.10 173.12 3bqj s THR 381 N 7.38 4.55 0.15 1.60 2.01 -1.19 -3.77 115.64 126.38 3bqj s THR 381 Ca 0.93 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.89 3bqj s THR 381 Cb -0.32 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3bqj s THR 381 CO 0.35 0.51 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.94 3bqj s LYS 382 N 0.00 2.07 -0.21 4.92 2.20 0.10 -1.56 119.74 127.26 3bqj s LYS 382 Ca 0.04 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.48 3bqj s LYS 382 Cb -0.12 -2.21 0.05 0.00 -1.51 0.00 0.00 37.83 34.04 3bqj s LYS 382 CO 0.01 0.46 -0.07 0.12 -0.36 0.00 0.00 175.35 175.51 3bqj s PHE 383 N -1.51 2.32 -0.33 4.03 5.36 0.99 -0.69 117.98 128.14 3bqj s PHE 383 Ca 0.23 -1.62 -0.12 0.00 -0.96 0.00 0.00 56.93 54.46 3bqj s PHE 383 Cb -0.10 -1.57 -0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3bqj s PHE 383 CO 0.14 -0.75 0.22 0.99 -1.46 0.00 0.00 175.22 174.37 3bqj s THR 384 N 1.42 5.23 0.48 0.12 2.01 0.13 -2.41 115.64 122.63 3bqj s THR 384 Ca -0.03 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 3bqj s THR 384 Cb -0.17 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 3bqj s THR 384 CO -0.07 0.05 1.19 -2.16 -0.69 0.00 0.00 174.62 172.94 3bqj s PRO 385 N 1.72 3.62 0.00 4.92 0.04 -1.26 -1.56 135.00 142.47 3bqj s PRO 385 Ca 0.06 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3bqj s PRO 385 Cb -0.17 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3bqj s PRO 385 CO 0.10 -0.68 0.00 0.28 0.04 0.00 0.00 177.00 176.74 3bqj n VAL 386 N -0.67 0.00 0.00 -0.36 0.31 -1.03 -4.92 118.33 111.66 3bqj n VAL 386 Ca 0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3bqj n VAL 386 Cb 0.48 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 3bqj n VAL 386 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bqj n GLY 387 N 0.21 0.18 3.63 2.92 0.00 -0.98 -4.44 105.19 106.72 3bqj n GLY 387 Ca 0.00 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 3bqj n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bqj s VAL 388 N -1.98 3.38 0.42 1.61 -7.23 -0.94 -0.12 120.40 115.54 3bqj s VAL 388 Ca 0.00 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 3bqj s VAL 388 Cb 0.00 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 3bqj s VAL 388 CO 0.00 -0.38 0.12 2.30 -0.31 0.00 0.00 175.10 176.84 3bqj n ILE 389 N -0.88 0.00 -4.11 -0.62 -5.35 -1.01 -2.76 119.36 104.64 3bqj n ILE 389 Ca -0.06 -2.36 -0.12 0.00 -0.27 0.00 0.00 62.75 59.94 3bqj n ILE 389 Cb 0.59 0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 39.21 3bqj n ILE 389 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3bqj s GLN 390 N -3.58 1.50 -0.12 6.28 2.00 -0.43 -4.52 119.66 120.79 3bqj s GLN 390 Ca 0.17 -1.53 0.12 0.00 -2.00 0.00 0.00 55.36 52.12 3bqj s GLN 390 Cb 0.01 0.38 0.26 0.00 0.80 0.00 0.00 33.01 34.46 3bqj s GLN 390 CO 0.12 -0.58 1.19 -0.25 -0.50 0.00 0.00 175.29 175.28 3bqj n ASP 391 N -0.60 -0.35 -0.34 6.67 8.00 -1.26 -4.25 116.55 124.42 3bqj n ASP 391 Ca 0.01 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.45 3bqj n ASP 391 Cb 0.63 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3bqj n ASP 391 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bqj n ASN 394 N -0.37 0.00 -4.43 -2.24 5.15 -1.26 -5.04 115.26 107.07 3bqj n ASN 394 Ca -0.14 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.54 3bqj n ASN 394 Cb 0.85 -1.06 -0.13 0.00 -0.53 0.00 0.00 39.78 38.91 3bqj n ASN 394 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3bqj s HIS 395 N -2.13 2.46 -1.06 1.20 3.76 -1.26 -4.76 115.29 113.50 3bqj s HIS 395 Ca 0.00 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 3bqj s HIS 395 Cb 0.00 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 3bqj s HIS 395 CO 0.00 0.28 0.85 1.04 -0.85 0.00 0.00 174.74 176.06 3bqj n GLN 396 N 1.28 -1.75 0.00 1.40 3.00 -0.41 -4.71 117.38 116.20 3bqj n GLN 396 Ca -0.16 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3bqj n GLN 396 Cb 0.52 -5.06 0.00 0.00 0.00 0.00 0.00 30.24 25.70 3bqj n GLN 396 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3bqj n ASN 397 N -2.90 0.00 0.00 1.08 4.05 -1.26 -4.51 115.26 111.72 3bqj n ASN 397 Ca -0.08 -0.25 0.00 0.00 0.45 0.00 0.00 54.58 54.70 3bqj n ASN 397 Cb 0.60 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.61 3bqj n ASN 397 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3bqj n GLU 398 N 0.00 0.00 0.00 1.20 1.02 -1.26 -4.74 120.64 116.85 3bqj n GLU 398 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3bqj n GLU 398 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 3bqj n GLU 398 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3bqj n PRO 399 N 0.00 0.00 0.00 3.49 -0.02 -1.26 -4.59 135.00 132.62 3bqj n PRO 399 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 3bqj n PRO 399 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 33.60 3bqj n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bqj n GLY 400 N 0.83 -0.12 3.84 -1.23 0.00 0.47 -4.55 105.19 104.42 3bqj n GLY 400 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3bqj n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bqj n GLY 401 N -0.75 0.00 1.11 -0.02 0.00 -1.26 0.67 105.19 104.94 3bqj n GLY 401 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3bqj n GLY 401 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bqj n TRP 402 N 0.00 1.11 -3.16 1.61 7.02 -1.26 -4.59 117.44 118.17 3bqj n TRP 402 Ca 0.00 -0.73 -0.45 0.00 -1.02 0.00 0.00 57.50 55.29 3bqj n TRP 402 Cb 0.00 -0.27 -0.04 0.00 -2.42 0.00 0.00 31.31 28.58 3bqj n TRP 402 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3bqj s VAL 403 N -2.28 5.05 0.38 -0.99 1.01 0.21 -4.67 120.40 119.12 3bqj s VAL 403 Ca 0.42 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 3bqj s VAL 403 Cb 0.31 -4.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 3bqj s VAL 403 CO 0.14 -1.14 1.47 -0.76 0.00 0.00 0.00 175.10 174.81 3bqj s LEU 404 N 1.91 4.32 0.68 3.92 1.43 -1.26 0.11 118.68 129.78 3bqj s LEU 404 Ca 0.16 3.02 -0.04 0.00 -1.03 0.00 0.00 54.13 56.23 3bqj s LEU 404 Cb -0.18 -3.68 0.07 0.00 0.03 0.00 0.00 46.19 42.43 3bqj s LEU 404 CO -0.01 -0.86 0.96 -2.16 0.23 0.00 0.00 176.35 174.51 3bqj s PRO 405 N -2.09 2.14 -0.78 1.29 0.04 -1.26 -4.74 135.00 129.60 3bqj s PRO 405 Ca 0.53 -0.53 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 3bqj s PRO 405 Cb -0.46 -2.27 0.20 0.00 0.04 0.00 0.00 34.50 32.02 3bqj s PRO 405 CO 0.62 -1.18 0.71 -0.80 0.04 0.00 0.00 177.00 176.39 3bqj s ASN 406 N -4.54 6.57 0.57 6.66 0.02 -1.26 -4.92 114.94 118.05 3bqj s ASN 406 Ca 0.61 -2.60 0.32 0.00 -1.02 0.00 0.00 52.86 50.17 3bqj s ASN 406 Cb -0.10 -2.18 1.41 0.00 0.02 0.00 0.00 41.25 40.40 3bqj s ASN 406 CO 0.43 -0.59 1.74 1.88 0.02 0.00 0.00 177.10 180.58 3bqj h TYR 407 N 7.84 0.00 -2.24 2.20 0.99 -1.88 -1.99 116.97 121.90 3bqj h TYR 407 Ca 0.05 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.19 3bqj h TYR 407 Cb 1.04 0.00 -0.42 0.00 1.00 0.00 0.00 36.73 38.35 3bqj h TYR 407 CO 0.98 0.00 -0.66 0.43 -0.00 0.00 0.00 178.16 178.91 3bqj n SER 408 N -3.80 3.99 0.00 3.88 7.64 -1.26 -1.56 113.62 122.51 3bqj n SER 408 Ca 0.19 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.51 3bqj n SER 408 Cb 1.10 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3bqj n SER 408 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bqj n GLY 409 N 0.18 0.00 0.18 0.23 0.00 -0.75 -2.15 105.19 102.88 3bqj n GLY 409 Ca 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 3bqj n GLY 409 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bqj h ARG 410 N 0.00 0.57 -1.41 1.61 2.47 -1.90 -3.34 114.38 112.38 3bqj h ARG 410 Ca 0.00 -0.45 0.41 0.00 -1.26 0.00 0.00 59.98 58.68 3bqj h ARG 410 Cb 0.00 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.35 3bqj h ARG 410 CO 0.00 1.07 1.10 2.41 0.56 0.00 0.00 179.97 185.12 3bqj n THR 411 N -4.20 0.00 0.00 2.04 -1.04 -1.06 -4.79 114.28 105.23 3bqj n THR 411 Ca -0.08 1.15 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 3bqj n THR 411 Cb 0.61 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3bqj n THR 411 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bqj n GLY 412 N -1.69 1.81 3.76 3.41 0.00 -0.91 -5.11 105.19 106.47 3bqj n GLY 412 Ca 0.32 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 3bqj n GLY 412 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bqj s HIS 413 N -2.00 2.56 0.51 1.61 0.09 -1.26 -4.33 115.29 112.46 3bqj s HIS 413 Ca 0.00 1.55 -0.23 0.00 -0.00 0.00 0.00 55.06 56.39 3bqj s HIS 413 Cb 0.00 -3.23 -0.06 0.00 -0.00 0.00 0.00 32.58 29.29 3bqj s HIS 413 CO 0.00 -1.79 1.37 -0.80 -0.00 0.00 0.00 174.74 173.52 3bqj s ASN 414 N -2.36 5.49 0.20 1.40 0.01 -1.26 -4.91 114.94 113.50 3bqj s ASN 414 Ca 0.69 2.80 0.10 0.00 -0.71 0.00 0.00 52.86 55.74 3bqj s ASN 414 Cb -0.22 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.75 3bqj s ASN 414 CO 0.39 -1.43 -0.12 0.68 -1.51 0.00 0.00 177.10 175.12 3bqj s VAL 415 N -1.28 3.04 -1.34 1.60 -7.23 -1.26 -4.72 120.40 109.21 3bqj s VAL 415 Ca 0.68 -1.78 -0.06 0.00 -1.81 0.00 0.00 61.98 59.00 3bqj s VAL 415 Cb -0.41 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.05 3bqj s VAL 415 CO 0.50 -0.15 0.43 1.41 -0.31 0.00 0.00 175.10 176.98 3bqj n HIS 416 N -0.04 -1.76 -0.55 2.82 8.25 -1.26 -2.07 115.22 120.61 3bqj n HIS 416 Ca -0.10 0.39 -0.30 0.00 -0.26 0.00 0.00 57.72 57.46 3bqj n HIS 416 Cb 0.56 -3.39 0.23 0.00 1.12 0.00 0.00 29.99 28.51 3bqj n HIS 416 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3bqj n LEU 417 N -3.64 -0.74 -4.80 2.41 4.77 -1.26 -4.38 117.00 109.35 3bqj n LEU 417 Ca -0.07 -0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 3bqj n LEU 417 Cb 0.58 -1.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 3bqj n LEU 417 CO 0.44 -3.10 -0.11 0.00 -1.33 0.00 0.00 177.39 173.28 3bqj s ALA 418 N -2.42 3.75 0.09 -1.18 0.00 -1.26 -4.76 121.76 115.98 3bqj s ALA 418 Ca 0.66 -0.57 -0.35 0.00 0.00 0.00 0.00 51.96 51.70 3bqj s ALA 418 Cb -0.23 -2.15 -0.19 0.00 0.00 0.00 0.00 23.12 20.55 3bqj s ALA 418 CO 0.64 0.37 0.85 -2.30 0.00 0.00 0.00 175.76 175.32 3bqj n PRO 419 N 2.71 0.04 -1.30 0.00 -0.02 -1.26 -4.91 135.00 130.25 3bqj n PRO 419 Ca -0.17 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.01 3bqj n PRO 419 Cb 0.53 -1.31 0.09 0.00 -0.02 0.00 0.00 33.50 32.80 3bqj n PRO 419 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bqj s ALA 420 N -0.42 2.18 0.15 3.55 0.00 -1.26 -4.84 121.76 121.13 3bqj s ALA 420 Ca 0.79 0.42 0.07 0.00 0.00 0.00 0.00 51.96 53.24 3bqj s ALA 420 Cb -1.12 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 3bqj s ALA 420 CO 0.56 -1.81 -0.15 0.14 0.00 0.00 0.00 175.76 174.51 3bqj s VAL 421 N -2.68 1.56 -0.30 0.00 -7.23 0.48 -4.99 120.40 107.24 3bqj s VAL 421 Ca 0.64 -1.90 -0.24 0.00 -1.81 0.00 0.00 61.98 58.67 3bqj s VAL 421 Cb -0.19 -1.75 0.19 0.00 0.56 0.00 0.00 36.38 35.18 3bqj s VAL 421 CO 0.52 -0.44 1.39 0.00 -0.31 0.00 0.00 175.10 176.26 3bqj s ALA 422 N -2.35 -2.26 0.10 1.32 0.00 -1.26 -4.56 121.76 112.75 3bqj s ALA 422 Ca 0.14 1.73 -0.31 0.00 0.00 0.00 0.00 51.96 53.53 3bqj s ALA 422 Cb -0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.21 3bqj s ALA 422 CO 0.05 -0.14 1.73 -1.25 0.00 0.00 0.00 175.76 176.15 3bqj s PRO 423 N 0.18 4.17 -0.21 0.00 0.04 -1.26 -4.91 135.00 133.00 3bqj s PRO 423 Ca 0.05 2.46 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 3bqj s PRO 423 Cb -0.05 -3.58 -0.12 0.00 0.04 0.00 0.00 34.50 30.80 3bqj s PRO 423 CO -0.14 -0.78 -0.13 0.25 0.04 0.00 0.00 177.00 176.24 3bqj n THR 424 N 4.70 1.51 -1.10 1.26 -2.24 -1.26 -4.99 114.28 112.15 3bqj n THR 424 Ca 0.17 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 3bqj n THR 424 Cb 0.39 -2.10 0.05 0.00 -2.10 0.00 0.00 70.33 66.57 3bqj n THR 424 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3bqj n PHE 425 N -4.41 -2.84 -1.69 4.78 7.35 -1.26 -4.83 117.46 114.56 3bqj n PHE 425 Ca -0.32 0.23 -0.42 0.00 -0.76 0.00 0.00 57.45 56.18 3bqj n PHE 425 Cb 0.65 -1.68 -0.03 0.00 0.35 0.00 0.00 39.48 38.76 3bqj n PHE 425 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3bqj n PRO 426 N 0.70 2.83 0.00 -7.13 -0.02 -1.26 -3.54 135.00 126.58 3bqj n PRO 426 Ca 0.05 1.03 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3bqj n PRO 426 Cb 0.52 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 3bqj n PRO 426 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bqj n GLY 427 N 4.31 1.19 3.63 -1.23 0.00 -1.26 -4.95 105.19 106.88 3bqj n GLY 427 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3bqj n GLY 427 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bqj n GLU 428 N -0.97 -0.32 -4.24 1.61 1.02 -1.23 -3.96 120.64 112.55 3bqj n GLU 428 Ca 0.00 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3bqj n GLU 428 Cb 0.00 -2.30 -0.10 0.00 -0.02 0.00 0.00 31.44 29.02 3bqj n GLU 428 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3bqj s GLN 429 N -4.36 1.17 0.13 3.49 -0.21 -0.22 -4.83 119.66 114.82 3bqj s GLN 429 Ca 0.66 -1.59 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 3bqj s GLN 429 Cb -0.24 -0.12 -0.06 0.00 1.00 0.00 0.00 33.01 33.59 3bqj s GLN 429 CO 0.58 -0.23 0.97 -0.51 -2.12 0.00 0.00 175.29 173.99 3bqj s LEU 430 N -3.19 4.51 -0.48 2.90 1.43 -1.25 0.10 118.68 122.70 3bqj s LEU 430 Ca 0.29 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 55.07 3bqj s LEU 430 Cb 0.07 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.78 3bqj s LEU 430 CO 0.07 -0.06 0.41 -0.22 0.23 0.00 0.00 176.35 176.79 3bqj s LEU 431 N -0.13 5.68 0.76 1.79 2.96 0.83 -2.82 118.68 127.76 3bqj s LEU 431 Ca 0.47 -1.37 -0.04 0.00 -0.22 0.00 0.00 54.13 52.96 3bqj s LEU 431 Cb -0.24 -2.19 0.13 0.00 0.50 0.00 0.00 46.19 44.39 3bqj s LEU 431 CO 0.30 -0.68 1.05 -0.36 -1.32 0.00 0.00 176.35 175.35 3bqj s PHE 432 N 1.66 1.75 -0.29 5.38 0.40 -0.62 -4.41 117.98 121.85 3bqj s PHE 432 Ca 0.04 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 3bqj s PHE 432 Cb -0.25 -3.22 0.09 0.00 0.51 0.00 0.00 43.02 40.15 3bqj s PHE 432 CO 0.06 -1.84 0.05 -0.06 0.70 0.00 0.00 175.22 174.13 3bqj s PHE 433 N -3.28 2.30 0.53 0.36 0.40 -0.41 -3.58 117.98 114.30 3bqj s PHE 433 Ca 0.67 -1.99 -0.05 0.00 -0.60 0.00 0.00 56.93 54.96 3bqj s PHE 433 Cb -0.06 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 3bqj s PHE 433 CO 0.46 -0.85 0.84 0.50 0.70 0.00 0.00 175.22 176.86 3bqj s ARG 434 N 1.41 3.21 0.24 0.44 3.52 0.29 -2.48 118.95 125.58 3bqj s ARG 434 Ca 0.06 0.06 -0.22 0.00 -0.13 0.00 0.00 55.73 55.50 3bqj s ARG 434 Cb -0.18 -2.33 0.05 0.00 -1.56 0.00 0.00 34.95 30.92 3bqj s ARG 434 CO -0.16 -0.45 0.86 -1.12 -0.81 0.00 0.00 175.30 173.61 3bqj s SER 435 N -4.21 -0.16 -0.21 -2.12 0.01 -1.19 -0.27 113.70 105.56 3bqj s SER 435 Ca 0.51 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 3bqj s SER 435 Cb -0.10 0.63 0.05 0.00 0.21 0.00 0.00 66.02 66.81 3bqj s SER 435 CO 0.45 -1.19 -0.05 -0.89 0.41 0.00 0.00 173.24 171.96 3bqj s THR 436 N -3.25 1.30 -0.06 1.44 2.01 -1.26 -2.56 115.64 113.25 3bqj s THR 436 Ca 0.13 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 3bqj s THR 436 Cb -0.04 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3bqj s THR 436 CO 0.06 -0.02 1.52 -0.04 -0.69 0.00 0.00 174.62 175.45 3bqj s MET 437 N 1.52 4.21 -0.28 4.92 -1.94 0.16 -4.90 119.30 122.99 3bqj s MET 437 Ca -0.03 2.04 -0.42 0.00 -1.71 0.00 0.00 55.69 55.58 3bqj s MET 437 Cb -0.17 -3.82 -0.17 0.00 2.01 0.00 0.00 34.83 32.67 3bqj s MET 437 CO -0.07 -0.75 1.60 -2.30 -0.01 0.00 0.00 175.02 173.49 3bqj n PRO 438 N 6.53 0.72 -2.61 2.03 -0.02 -1.26 -4.61 135.00 135.77 3bqj n PRO 438 Ca 0.16 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 3bqj n PRO 438 Cb 0.43 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 3bqj n PRO 438 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3bqj s GLY 439 N 2.74 3.06 0.00 -1.23 0.00 -1.26 -2.22 107.32 108.42 3bqj s GLY 439 Ca 0.98 0.75 0.00 0.00 0.00 0.00 0.00 44.72 46.45 3bqj s GLY 439 CO 0.68 1.38 0.22 0.00 0.00 0.00 0.00 173.10 175.38 3bqj n SER 441 N -0.17 0.00 0.00 0.00 7.64 -1.26 -5.03 113.62 114.80 3bqj n SER 441 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bqj n SER 441 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3bqj n SER 441 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bqj n GLY 442 N -0.09 -0.94 2.52 0.23 0.00 -1.26 -1.31 105.19 104.34 3bqj n GLY 442 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 3bqj n GLY 442 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bqj n TYR 443 N 0.00 2.51 -1.52 1.61 4.02 -1.26 -4.84 117.16 117.68 3bqj n TYR 443 Ca 0.00 -2.90 -0.36 0.00 -0.01 0.00 0.00 57.90 54.63 3bqj n TYR 443 Cb 0.00 -0.21 0.09 0.00 -0.02 0.00 0.00 39.34 39.20 3bqj n TYR 443 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3bqj s PRO 444 N -3.41 2.23 -0.84 -0.72 0.04 -1.26 -1.28 135.00 129.75 3bqj s PRO 444 Ca 0.40 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 63.12 3bqj s PRO 444 Cb 0.42 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 33.17 3bqj s PRO 444 CO -0.09 -1.81 1.35 1.21 0.04 0.00 0.00 177.00 177.71 3bqj s ASN 445 N -1.70 6.27 0.00 6.66 3.84 -1.26 -4.71 114.94 124.04 3bqj s ASN 445 Ca 0.79 -0.82 0.09 0.00 0.21 0.00 0.00 52.86 53.12 3bqj s ASN 445 Cb -0.34 -2.56 0.52 0.00 -0.55 0.00 0.00 41.25 38.32 3bqj s ASN 445 CO 0.43 -1.73 1.26 0.23 -2.79 0.00 0.00 177.10 174.51 3bqj n MET 446 N 9.19 0.91 -2.43 0.43 2.81 -1.26 -4.66 117.12 122.11 3bqj n MET 446 Ca 0.15 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.67 3bqj n MET 446 Cb 0.50 -1.15 -0.03 0.00 -0.71 0.00 0.00 33.22 31.83 3bqj n MET 446 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3bqj s ASN 447 N -1.36 6.52 -0.30 7.83 0.02 -1.26 -0.66 114.94 125.73 3bqj s ASN 447 Ca 0.13 2.14 0.01 0.00 -1.02 0.00 0.00 52.86 54.11 3bqj s ASN 447 Cb 0.06 -2.59 0.14 0.00 0.02 0.00 0.00 41.25 38.88 3bqj s ASN 447 CO 0.10 -0.66 0.33 -0.22 0.02 0.00 0.00 177.10 176.67 3bqj s LEU 448 N -2.81 -0.36 -0.17 0.60 2.96 -1.06 -4.82 118.68 113.03 3bqj s LEU 448 Ca 0.60 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.61 3bqj s LEU 448 Cb -0.24 0.66 -0.04 0.00 0.50 0.00 0.00 46.19 47.06 3bqj s LEU 448 CO 0.30 -0.37 0.33 -1.81 -1.32 0.00 0.00 176.35 173.49 3bqj s ASP 449 N 2.31 6.45 0.28 3.68 1.01 -1.26 -3.19 116.67 125.95 3bqj s ASP 449 Ca 0.10 0.53 0.11 0.00 0.71 0.00 0.00 52.55 54.00 3bqj s ASP 449 Cb -0.14 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 3bqj s ASP 449 CO -0.29 0.04 -0.15 0.00 0.21 0.00 0.00 175.17 174.98 3bqj n LEU 451 N -0.69 0.70 -3.74 0.00 4.77 -1.26 -1.28 117.00 115.49 3bqj n LEU 451 Ca -0.05 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.62 3bqj n LEU 451 Cb 0.60 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3bqj n LEU 451 CO 0.39 0.16 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.84 3bqj s LEU 452 N -3.18 0.51 0.51 2.23 1.43 -1.26 -4.38 118.68 114.55 3bqj s LEU 452 Ca 0.08 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 3bqj s LEU 452 Cb 0.16 1.13 -0.06 0.00 0.03 0.00 0.00 46.19 47.44 3bqj s LEU 452 CO 0.78 -0.14 1.14 -2.84 0.23 0.00 0.00 176.35 175.52 3bqj s PRO 453 N 0.58 3.51 0.28 1.29 0.02 -1.26 -4.08 135.00 135.35 3bqj s PRO 453 Ca -0.03 1.65 -0.00 0.00 0.02 0.00 0.00 61.00 62.64 3bqj s PRO 453 Cb -0.05 -2.14 0.50 0.00 0.02 0.00 0.00 34.50 32.83 3bqj s PRO 453 CO -0.03 -0.73 1.88 0.37 -0.33 0.00 0.00 177.00 178.15 3bqj h GLN 454 N 1.49 1.04 0.00 5.54 5.75 -1.55 -1.07 115.11 126.31 3bqj h GLN 454 Ca -0.50 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 57.87 3bqj h GLN 454 Cb 1.26 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 3bqj h GLN 454 CO 0.58 0.69 -0.34 1.05 -2.65 0.00 0.00 178.83 178.16 3bqj h GLU 455 N 1.07 0.00 -0.13 1.69 9.09 -1.91 0.31 114.58 124.70 3bqj h GLU 455 Ca 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.84 3bqj h GLU 455 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 3bqj h GLU 455 CO -0.19 0.34 0.05 -1.49 0.05 0.00 0.00 179.01 177.77 3bqj h TRP 456 N 0.00 0.20 -0.89 2.06 4.06 -1.57 0.83 115.95 120.64 3bqj h TRP 456 Ca -0.00 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.01 3bqj h TRP 456 Cb 0.66 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 28.70 3bqj h TRP 456 CO 0.00 0.29 0.57 0.28 -3.56 0.00 0.00 178.44 176.02 3bqj h VAL 457 N 0.05 1.01 -0.07 1.49 2.07 -0.94 0.32 116.25 120.18 3bqj h VAL 457 Ca 0.04 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.06 3bqj h VAL 457 Cb 0.18 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3bqj h VAL 457 CO -0.00 0.17 -0.74 1.56 0.02 0.00 0.00 177.57 178.58 3bqj h GLN 458 N 0.93 0.40 0.31 1.57 4.20 -0.18 -2.64 115.11 119.70 3bqj h GLN 458 Ca 0.40 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3bqj h GLN 458 Cb 0.32 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3bqj h GLN 458 CO -0.16 0.97 -0.15 1.25 -0.67 0.00 0.00 178.83 180.07 3bqj h HIS 459 N 0.27 -0.38 -0.76 2.96 2.76 0.18 -2.10 115.15 118.08 3bqj h HIS 459 Ca -0.03 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3bqj h HIS 459 Cb 1.32 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 30.36 3bqj h HIS 459 CO 0.04 -0.03 0.50 0.74 -1.30 0.00 0.00 177.93 177.88 3bqj h PHE 460 N -0.89 0.90 -0.12 5.26 0.05 -1.09 0.38 116.94 121.44 3bqj h PHE 460 Ca -0.04 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.69 3bqj h PHE 460 Cb 0.52 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 3bqj h PHE 460 CO 0.04 0.53 -0.31 -0.92 -0.18 0.00 0.00 178.31 177.47 3bqj h TYR 461 N 0.93 0.25 0.06 -0.55 3.20 -1.50 0.73 116.97 120.09 3bqj h TYR 461 Ca 0.30 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3bqj h TYR 461 Cb 0.04 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3bqj h TYR 461 CO -0.00 0.51 -0.03 0.37 -1.64 0.00 0.00 178.16 177.37 3bqj h GLN 462 N 0.20 -0.08 -0.12 1.82 5.75 -0.46 -3.38 115.11 118.83 3bqj h GLN 462 Ca 0.03 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3bqj h GLN 462 Cb 0.65 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 3bqj h GLN 462 CO 0.05 0.09 0.04 0.93 -2.65 0.00 0.00 178.83 177.29 3bqj h GLU 463 N -1.01 0.19 -6.18 1.69 4.39 -0.31 -3.47 114.58 109.88 3bqj h GLU 463 Ca -0.01 -0.04 -0.45 0.00 0.34 0.00 0.00 59.36 59.20 3bqj h GLU 463 Cb 0.21 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3bqj h GLU 463 CO 0.01 0.33 -0.76 0.00 -1.16 0.00 0.00 179.01 177.43 3bqj n ALA 464 N -2.23 -1.44 -1.77 3.43 0.00 0.25 -4.93 120.51 113.82 3bqj n ALA 464 Ca -0.05 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.17 3bqj n ALA 464 Cb 0.14 -4.13 -0.02 0.00 0.00 0.00 0.00 19.45 15.44 3bqj n ALA 464 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bqj s ALA 465 N -3.37 3.06 0.58 0.00 0.00 -1.26 -4.80 121.76 115.96 3bqj s ALA 465 Ca 0.52 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 53.21 3bqj s ALA 465 Cb -0.25 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3bqj s ALA 465 CO 0.81 -0.56 1.16 -2.14 0.00 0.00 0.00 175.76 175.03 3bqj s PRO 466 N -2.52 3.13 -1.13 0.00 0.02 -1.26 -3.75 135.00 129.50 3bqj s PRO 466 Ca 0.60 1.69 -0.06 0.00 0.02 0.00 0.00 61.00 63.26 3bqj s PRO 466 Cb -0.29 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.54 3bqj s PRO 466 CO 0.35 -1.04 1.53 0.00 -0.33 0.00 0.00 177.00 177.51 3bqj n ALA 467 N -1.52 5.07 0.03 -1.55 0.00 -1.26 -4.82 120.51 116.46 3bqj n ALA 467 Ca 0.12 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.90 3bqj n ALA 467 Cb 0.50 -2.52 0.01 0.00 0.00 0.00 0.00 19.45 17.45 3bqj n ALA 467 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bqj n GLN 468 N 2.16 0.01 -3.84 0.00 6.02 -1.26 -4.54 117.38 115.93 3bqj n GLN 468 Ca 0.29 0.14 -0.07 0.00 -0.01 0.00 0.00 57.00 57.36 3bqj n GLN 468 Cb 0.35 -2.00 -0.01 0.00 1.02 0.00 0.00 30.24 29.60 3bqj n GLN 468 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3bqj s SER 469 N -2.23 -0.18 0.17 1.08 0.15 -1.26 -5.01 113.70 106.42 3bqj s SER 469 Ca -0.00 -0.71 -0.08 0.00 0.70 0.00 0.00 55.95 55.86 3bqj s SER 469 Cb 0.00 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.06 3bqj s SER 469 CO 0.00 -1.35 1.52 0.44 1.20 0.00 0.00 173.24 175.05 3bqj h ASP 470 N 2.00 0.90 -4.46 5.45 3.32 -1.80 -3.43 116.42 118.40 3bqj h ASP 470 Ca -0.23 -0.40 -0.69 0.00 0.02 0.00 0.00 57.03 55.72 3bqj h ASP 470 Cb 1.25 -0.25 -0.28 0.00 0.22 0.00 0.00 39.33 40.26 3bqj h ASP 470 CO 0.28 1.17 -0.88 -0.69 -1.72 0.00 0.00 179.24 177.39 3bqj s VAL 471 N -4.39 2.08 -0.10 -1.35 1.01 -1.15 -0.85 120.40 115.65 3bqj s VAL 471 Ca -0.10 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.67 3bqj s VAL 471 Cb 0.12 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3bqj s VAL 471 CO 0.87 0.47 -0.22 0.00 0.00 0.00 0.00 175.10 176.22 3bqj s ALA 472 N -0.70 2.27 -0.14 5.51 0.00 0.44 0.54 121.76 129.68 3bqj s ALA 472 Ca 0.11 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.84 3bqj s ALA 472 Cb -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 3bqj s ALA 472 CO 0.00 0.29 0.94 -1.17 0.00 0.00 0.00 175.76 175.82 3bqj s LEU 473 N 0.32 4.21 0.03 0.00 2.96 1.08 -0.93 118.68 126.34 3bqj s LEU 473 Ca -0.17 1.38 0.09 0.00 -0.22 0.00 0.00 54.13 55.21 3bqj s LEU 473 Cb -0.17 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3bqj s LEU 473 CO 0.08 -0.45 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.66 3bqj s LEU 474 N 2.16 2.22 -0.10 -0.68 1.43 -0.71 0.16 118.68 123.16 3bqj s LEU 474 Ca 0.44 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3bqj s LEU 474 Cb -0.17 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.72 3bqj s LEU 474 CO 0.15 0.27 -0.18 -0.13 0.23 0.00 0.00 176.35 176.69 3bqj s ARG 475 N -1.14 2.43 -0.64 1.70 3.00 -0.28 -2.06 118.95 121.96 3bqj s ARG 475 Ca 0.12 -0.65 -0.22 0.00 0.00 0.00 0.00 55.73 54.98 3bqj s ARG 475 Cb -0.10 -1.97 0.08 0.00 0.00 0.00 0.00 34.95 32.96 3bqj s ARG 475 CO 0.02 0.02 0.90 0.12 0.00 0.00 0.00 175.30 176.36 3bqj s PHE 476 N 0.73 2.76 0.50 -0.53 5.36 0.20 -1.45 117.98 125.55 3bqj s PHE 476 Ca -0.11 -0.66 -0.00 0.00 -0.96 0.00 0.00 56.93 55.20 3bqj s PHE 476 Cb -0.16 -4.22 0.01 0.00 -0.34 0.00 0.00 43.02 38.31 3bqj s PHE 476 CO 0.02 -1.56 0.73 0.14 -1.46 0.00 0.00 175.22 173.10 3bqj s VAL 477 N 3.71 3.58 -0.37 3.12 -7.23 -0.83 -0.06 120.40 122.32 3bqj s VAL 477 Ca 0.19 -0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.87 3bqj s VAL 477 Cb -0.19 -3.34 0.09 0.00 0.56 0.00 0.00 36.38 33.50 3bqj s VAL 477 CO 0.09 -0.26 0.13 0.21 -0.31 0.00 0.00 175.10 174.97 3bqj s ASN 478 N -4.29 5.11 0.59 4.85 3.84 -1.10 -2.75 114.94 121.19 3bqj s ASN 478 Ca 0.52 -1.84 0.31 0.00 0.21 0.00 0.00 52.86 52.06 3bqj s ASN 478 Cb -0.10 -1.78 1.29 0.00 -0.55 0.00 0.00 41.25 40.12 3bqj s ASN 478 CO 0.39 -0.45 1.61 -0.65 -2.79 0.00 0.00 177.10 175.21 3bqj h PRO 479 N 7.99 0.00 0.00 0.43 0.11 -1.91 0.31 132.00 138.93 3bqj h PRO 479 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3bqj h PRO 479 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3bqj h PRO 479 CO 0.63 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 3bqj n ASP 480 N -3.60 0.00 -0.37 -2.05 8.00 -1.26 -4.23 116.55 113.03 3bqj n ASP 480 Ca 0.20 0.41 -0.02 0.00 0.71 0.00 0.00 54.79 56.09 3bqj n ASP 480 Cb 1.23 -0.33 0.11 0.00 -0.02 0.00 0.00 41.12 42.11 3bqj n ASP 480 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3bqj h THR 481 N 0.00 1.26 -1.77 -3.53 1.35 -1.98 -3.46 112.91 104.77 3bqj h THR 481 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3bqj h THR 481 Cb 0.00 -0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.21 3bqj h THR 481 CO 0.00 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 3bqj n GLY 482 N -1.37 0.52 2.83 5.82 0.00 0.11 -5.07 105.19 108.04 3bqj n GLY 482 Ca 0.12 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 3bqj n GLY 482 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bqj s ARG 483 N -3.96 0.65 0.21 1.61 3.52 -1.23 -4.95 118.95 114.79 3bqj s ARG 483 Ca 0.00 0.01 -0.32 0.00 -0.13 0.00 0.00 55.73 55.29 3bqj s ARG 483 Cb 0.00 -0.82 -0.12 0.00 -1.56 0.00 0.00 34.95 32.45 3bqj s ARG 483 CO 0.00 -0.17 1.69 0.28 -0.81 0.00 0.00 175.30 176.29 3bqj n VAL 484 N 4.46 0.13 -0.03 7.11 0.31 -1.26 -2.71 118.33 126.33 3bqj n VAL 484 Ca -0.19 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 3bqj n VAL 484 Cb 0.50 -1.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 3bqj n VAL 484 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3bqj h LEU 485 N 6.44 0.26 -7.29 7.52 5.85 -0.79 -3.48 115.31 123.82 3bqj h LEU 485 Ca -0.44 -0.78 0.28 0.00 0.84 0.00 0.00 57.88 57.79 3bqj h LEU 485 Cb 1.21 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.04 3bqj h LEU 485 CO 0.93 1.61 0.75 0.72 -0.34 0.00 0.00 178.44 182.10 3bqj s PHE 486 N -2.45 -0.08 0.33 1.25 -0.71 -1.20 -5.00 117.98 110.12 3bqj s PHE 486 Ca -0.23 -0.07 0.10 0.00 -1.04 0.00 0.00 56.93 55.69 3bqj s PHE 486 Cb 0.05 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.37 3bqj s PHE 486 CO 0.71 -0.39 -0.04 -1.83 -1.34 0.00 0.00 175.22 172.33 3bqj s GLU 487 N -2.62 1.99 0.20 1.99 -1.05 -1.26 0.59 118.70 118.53 3bqj s GLU 487 Ca 0.13 -1.77 -0.22 0.00 -0.15 0.00 0.00 54.97 52.97 3bqj s GLU 487 Cb 0.03 -1.88 0.05 0.00 -0.44 0.00 0.00 34.13 31.89 3bqj s GLU 487 CO -0.03 0.18 0.63 0.00 0.95 0.00 0.00 175.26 176.99 3bqj s LYS 489 N -3.81 2.72 -0.36 0.00 -2.85 -0.90 -1.74 119.74 112.80 3bqj s LYS 489 Ca 0.05 -0.88 -0.14 0.00 -1.00 0.00 0.00 55.97 53.99 3bqj s LYS 489 Cb -0.03 -2.22 -0.01 0.00 -2.06 0.00 0.00 37.83 33.51 3bqj s LYS 489 CO -0.06 0.33 0.31 -1.17 0.10 0.00 0.00 175.35 174.85 3bqj s LEU 490 N -0.02 4.62 -0.20 2.77 2.96 -0.11 -2.46 118.68 126.24 3bqj s LEU 490 Ca -0.08 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 53.13 3bqj s LEU 490 Cb -0.15 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3bqj s LEU 490 CO 0.05 -0.33 0.79 -1.00 -1.32 0.00 0.00 176.35 174.53 3bqj s HIS 491 N 1.85 3.37 0.23 5.38 3.76 -0.95 -0.42 115.29 128.51 3bqj s HIS 491 Ca 0.08 1.14 0.12 0.00 -0.15 0.00 0.00 55.06 56.25 3bqj s HIS 491 Cb -0.17 -2.98 0.82 0.00 1.11 0.00 0.00 32.58 31.36 3bqj s HIS 491 CO 0.11 -0.29 1.01 0.36 -0.85 0.00 0.00 174.74 175.08 3bqj n LYS 492 N 5.48 -0.04 0.08 1.40 2.85 -0.03 0.19 118.16 128.08 3bqj n LYS 492 Ca 0.04 0.89 0.17 0.00 -1.05 0.00 0.00 58.31 58.35 3bqj n LYS 492 Cb 0.48 -1.58 0.69 0.00 -0.65 0.00 0.00 35.03 33.98 3bqj n LYS 492 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3bqj h SER 493 N 0.00 0.00 0.00 -5.58 0.87 -1.92 -0.21 113.55 106.72 3bqj h SER 493 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 3bqj h SER 493 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 3bqj h SER 493 CO -0.50 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.41 3bqj n GLY 494 N -1.60 1.38 3.42 5.77 0.00 0.50 -4.18 105.19 110.48 3bqj n GLY 494 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3bqj n GLY 494 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bqj s TYR 495 N -1.38 1.74 -0.12 1.61 -0.85 -1.23 -4.75 117.35 112.37 3bqj s TYR 495 Ca 0.00 -1.23 0.01 0.00 -0.52 0.00 0.00 57.07 55.33 3bqj s TYR 495 Cb 0.00 -1.06 0.02 0.00 0.38 0.00 0.00 41.96 41.30 3bqj s TYR 495 CO 0.00 -0.31 -0.15 0.08 -1.52 0.00 0.00 175.55 173.66 3bqj s VAL 496 N -3.42 1.50 0.11 -3.49 1.01 -1.26 -2.25 120.40 112.61 3bqj s VAL 496 Ca 0.32 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3bqj s VAL 496 Cb 0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3bqj s VAL 496 CO 0.16 0.44 -0.21 0.42 0.00 0.00 0.00 175.10 175.91 3bqj s THR 497 N 1.19 2.65 -0.04 3.92 -4.23 -1.03 0.29 115.64 118.39 3bqj s THR 497 Ca -0.02 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3bqj s THR 497 Cb -0.14 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.52 3bqj s THR 497 CO -0.05 0.13 -0.09 0.68 -0.54 0.00 0.00 174.62 174.75 3bqj s VAL 498 N -1.09 0.85 -1.09 2.29 -7.23 0.11 -2.11 120.40 112.15 3bqj s VAL 498 Ca 0.16 -0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 3bqj s VAL 498 Cb -0.10 -0.78 -0.16 0.00 0.56 0.00 0.00 36.38 35.90 3bqj s VAL 498 CO 0.08 0.28 1.98 0.00 -0.31 0.00 0.00 175.10 177.13 3bqj n ALA 499 N 3.55 1.32 -3.54 1.32 0.00 -1.26 -1.06 120.51 120.84 3bqj n ALA 499 Ca -0.21 -2.76 -0.17 0.00 0.00 0.00 0.00 53.44 50.31 3bqj n ALA 499 Cb 0.53 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.46 3bqj n ALA 499 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3bqj s HIS 500 N 12.73 -0.65 -0.03 0.00 5.65 -1.25 -3.44 115.29 128.29 3bqj s HIS 500 Ca 0.72 1.19 0.07 0.00 0.25 0.00 0.00 55.06 57.30 3bqj s HIS 500 Cb -0.01 0.39 -0.02 0.00 -1.18 0.00 0.00 32.58 31.77 3bqj s HIS 500 CO 0.16 -0.55 -0.25 0.99 -0.65 0.00 0.00 174.74 174.45 3bqj s THR 501 N -0.94 2.01 0.00 0.89 2.01 -1.26 -3.60 115.64 114.75 3bqj s THR 501 Ca -0.08 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.85 3bqj s THR 501 Cb -0.01 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.82 3bqj s THR 501 CO 0.08 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 3bqj n GLY 502 N 2.66 0.40 3.80 4.40 0.00 -1.26 -5.00 105.19 110.19 3bqj n GLY 502 Ca -0.17 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 3bqj n GLY 502 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bqj s PRO 503 N -2.03 2.99 0.00 1.61 0.04 -1.26 -4.46 135.00 131.88 3bqj s PRO 503 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3bqj s PRO 503 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3bqj s PRO 503 CO 0.00 -1.08 0.00 1.58 0.04 0.00 0.00 177.00 177.54 3bqj n HIS 504 N -2.57 0.00 -2.21 0.56 -0.00 -1.24 -5.05 115.22 104.71 3bqj n HIS 504 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.38 3bqj n HIS 504 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.49 3bqj n HIS 504 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3bqj s ASP 505 N 0.00 6.29 0.82 0.26 1.11 -1.26 -3.60 116.67 120.29 3bqj s ASP 505 Ca 0.00 1.21 -0.14 0.00 0.18 0.00 0.00 52.55 53.80 3bqj s ASP 505 Cb 0.00 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.46 3bqj s ASP 505 CO 0.00 -1.40 0.58 0.18 1.18 0.00 0.00 175.17 175.71 3bqj n LEU 506 N 8.90 0.98 -3.98 1.23 4.32 0.47 -4.97 117.00 123.95 3bqj n LEU 506 Ca 0.18 0.49 -0.31 0.00 -0.02 0.00 0.00 56.01 56.36 3bqj n LEU 506 Cb 0.47 -1.26 -0.15 0.00 -1.62 0.00 0.00 43.42 40.86 3bqj n LEU 506 CO 0.67 -3.09 -0.42 -0.69 -1.22 0.00 0.00 177.39 172.64 3bqj s VAL 507 N -2.12 1.77 0.22 4.08 1.01 -1.26 -4.63 120.40 119.48 3bqj s VAL 507 Ca 0.63 -1.45 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3bqj s VAL 507 Cb -0.29 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3bqj s VAL 507 CO 0.60 -0.14 -0.15 0.27 0.00 0.00 0.00 175.10 175.69 3bqj s ILE 508 N 1.27 1.84 0.06 2.22 -0.00 -1.26 -5.11 121.20 120.21 3bqj s ILE 508 Ca -0.05 -2.24 -0.30 0.00 -0.00 0.00 0.00 60.65 58.06 3bqj s ILE 508 Cb -0.19 -2.11 -0.05 0.00 -0.00 0.00 0.00 42.46 40.11 3bqj s ILE 508 CO -0.07 -0.55 1.13 -2.16 -0.00 0.00 0.00 174.94 173.30 3bqj s PRO 509 N -3.63 4.48 0.54 0.37 0.04 -1.26 -4.92 135.00 130.62 3bqj s PRO 509 Ca 0.24 1.67 0.44 0.00 0.04 0.00 0.00 61.00 63.39 3bqj s PRO 509 Cb -0.01 -3.37 1.65 0.00 0.04 0.00 0.00 34.50 32.81 3bqj s PRO 509 CO 0.08 -0.17 1.65 -1.35 0.04 0.00 0.00 177.00 177.26 3bqj h PRO 510 N 6.61 0.01 -0.00 0.56 0.11 -2.01 0.97 132.00 138.25 3bqj h PRO 510 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3bqj h PRO 510 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3bqj h PRO 510 CO 0.79 0.01 -0.09 0.09 -0.21 0.00 0.00 178.00 178.59 3bqj n ASN 511 N -4.10 0.40 -4.75 -2.05 5.03 -1.26 -4.76 115.26 103.78 3bqj n ASN 511 Ca 0.38 -0.55 -0.42 0.00 0.87 0.00 0.00 54.58 54.86 3bqj n ASN 511 Cb 1.71 -0.10 -0.01 0.00 -1.02 0.00 0.00 39.78 40.36 3bqj n ASN 511 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bqj n GLY 512 N 1.27 1.31 3.14 7.41 0.00 0.33 -4.40 105.19 114.25 3bqj n GLY 512 Ca 0.15 0.45 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 3bqj n GLY 512 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bqj s TYR 513 N -0.12 0.34 0.15 1.61 -0.85 -1.11 -3.94 117.35 113.43 3bqj s TYR 513 Ca 0.63 -0.82 -0.11 0.00 -0.52 0.00 0.00 57.07 56.25 3bqj s TYR 513 Cb -0.50 -0.24 -0.07 0.00 0.38 0.00 0.00 41.96 41.54 3bqj s TYR 513 CO 0.50 -0.44 0.49 -0.06 -1.52 0.00 0.00 175.55 174.52 3bqj s PHE 514 N -3.75 3.54 -0.05 -3.49 0.40 -1.26 -1.97 117.98 111.40 3bqj s PHE 514 Ca 0.05 0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 57.24 3bqj s PHE 514 Cb 0.06 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.38 3bqj s PHE 514 CO -0.10 0.41 0.10 0.50 0.70 0.00 0.00 175.22 176.83 3bqj s ARG 515 N -2.25 -0.01 -0.04 0.44 3.52 -0.52 -4.65 118.95 115.43 3bqj s ARG 515 Ca 0.39 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 56.09 3bqj s ARG 515 Cb -0.13 -0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 32.87 3bqj s ARG 515 CO 0.20 -0.27 1.35 0.12 -0.81 0.00 0.00 175.30 175.89 3bqj s PHE 516 N 1.85 2.87 -0.26 5.12 5.36 -1.26 -1.13 117.98 130.54 3bqj s PHE 516 Ca -0.00 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 56.87 3bqj s PHE 516 Cb -0.12 -3.60 -0.16 0.00 -0.34 0.00 0.00 43.02 38.80 3bqj s PHE 516 CO -0.04 -2.16 -0.24 -0.25 -1.46 0.00 0.00 175.22 171.07 3bqj n ASP 517 N 5.63 2.01 0.00 6.13 10.43 0.12 -4.97 116.55 135.90 3bqj n ASP 517 Ca 0.13 -0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.39 3bqj n ASP 517 Cb 0.44 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.97 3bqj n ASP 517 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3bqj n SER 518 N -3.32 0.00 -4.88 -2.24 3.41 -1.12 -4.98 113.62 100.48 3bqj n SER 518 Ca -0.46 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 57.85 3bqj n SER 518 Cb 0.98 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 3bqj n SER 518 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3bqj s TRP 519 N -2.00 3.48 0.10 7.33 0.52 -1.26 0.35 118.94 127.47 3bqj s TRP 519 Ca 0.00 0.95 -0.15 0.00 0.02 0.00 0.00 56.10 56.93 3bqj s TRP 519 Cb 0.00 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 29.97 3bqj s TRP 519 CO 0.00 -0.09 0.36 0.14 0.02 0.00 0.00 176.95 177.37 3bqj s VAL 520 N -2.39 0.08 0.68 4.03 -7.23 0.19 -4.80 120.40 110.96 3bqj s VAL 520 Ca 0.50 -0.68 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 3bqj s VAL 520 Cb -0.10 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.68 3bqj s VAL 520 CO 0.33 -0.38 1.20 0.54 -0.31 0.00 0.00 175.10 176.49 3bqj s ASN 521 N -2.69 4.61 0.00 4.85 2.20 -1.26 -2.94 114.94 119.71 3bqj s ASN 521 Ca 0.02 2.35 0.05 0.00 -0.94 0.00 0.00 52.86 54.33 3bqj s ASN 521 Cb 0.02 -2.59 0.27 0.00 -2.00 0.00 0.00 41.25 36.95 3bqj s ASN 521 CO -0.10 -1.99 0.80 0.00 -2.94 0.00 0.00 177.10 172.87 3bqj n GLN 522 N -2.30 0.13 0.03 3.55 10.64 -1.26 -1.82 117.38 126.34 3bqj n GLN 522 Ca 0.13 0.05 0.11 0.00 -1.83 0.00 0.00 57.00 55.47 3bqj n GLN 522 Cb 0.50 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.36 3bqj n GLN 522 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3bqj n PHE 523 N -1.06 0.31 -1.53 2.61 3.01 -1.26 -4.93 117.46 114.61 3bqj n PHE 523 Ca 0.03 0.09 -0.56 0.00 1.01 0.00 0.00 57.45 58.03 3bqj n PHE 523 Cb 0.02 -0.50 -0.08 0.00 -0.01 0.00 0.00 39.48 38.90 3bqj n PHE 523 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3bqj n TYR 524 N -2.10 1.72 -2.98 1.38 9.36 -0.76 -4.91 117.16 118.88 3bqj n TYR 524 Ca 0.01 0.50 -0.39 0.00 3.32 0.00 0.00 57.90 61.33 3bqj n TYR 524 Cb 0.47 -2.45 -0.06 0.00 -0.63 0.00 0.00 39.34 36.67 3bqj n TYR 524 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3bqj s THR 525 N 5.38 4.42 -0.01 2.97 2.01 -1.26 -5.04 115.64 124.11 3bqj s THR 525 Ca 1.07 1.70 -0.12 0.00 0.31 0.00 0.00 61.69 64.64 3bqj s THR 525 Cb -1.08 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 67.24 3bqj s THR 525 CO 0.60 0.50 0.34 -0.76 -0.69 0.00 0.00 174.62 174.62 3bqj s LEU 526 N -0.99 4.43 0.09 4.42 1.43 -1.26 -5.04 118.68 121.77 3bqj s LEU 526 Ca 0.36 0.81 -0.31 0.00 -1.03 0.00 0.00 54.13 53.96 3bqj s LEU 526 Cb -0.23 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.34 3bqj s LEU 526 CO 0.26 0.31 1.72 0.00 0.23 0.00 0.00 176.35 178.87 3bqj s ALA 527 N -1.14 3.72 0.77 4.21 0.00 -1.26 -4.85 121.76 123.21 3bqj s ALA 527 Ca 0.24 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.43 3bqj s ALA 527 Cb -0.15 -3.72 0.11 0.00 0.00 0.00 0.00 23.12 19.36 3bqj s ALA 527 CO 0.13 -1.14 0.25 -2.30 0.00 0.00 0.00 175.76 172.70 3bqj n PRO 528 N 5.60 -0.14 0.00 0.00 -0.02 -1.26 -4.63 135.00 134.54 3bqj n PRO 528 Ca 0.16 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 3bqj n PRO 528 Cb 0.40 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 3bqj n PRO 528 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48