#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xd4 s GLN 199 N 0.00 4.03 0.73 3.49 -0.21 -1.26 -5.09 119.66 121.35 1xd4 s GLN 199 Ca 0.00 0.29 -0.09 0.00 0.02 0.00 0.00 55.36 55.58 1xd4 s GLN 199 Cb 0.00 -3.31 0.06 0.00 1.00 0.00 0.00 33.01 30.76 1xd4 s GLN 199 CO 0.00 0.49 1.06 0.95 -2.12 0.00 0.00 175.29 175.67 1xd4 s THR 200 N -0.38 2.42 0.24 -0.19 -4.23 -1.26 -4.90 115.64 107.34 1xd4 s THR 200 Ca 0.21 -0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1xd4 s THR 200 Cb -0.15 -3.08 0.20 0.00 1.34 0.00 0.00 72.50 70.81 1xd4 s THR 200 CO 0.09 -0.09 1.81 0.22 -0.54 0.00 0.00 174.62 176.11 1xd4 h TYR 201 N -0.71 0.82 -0.54 3.99 5.03 -1.94 -1.68 116.97 121.94 1xd4 h TYR 201 Ca -0.45 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 60.81 1xd4 h TYR 201 Cb 1.31 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 39.32 1xd4 h TYR 201 CO 0.35 0.34 0.02 -0.92 -1.32 0.00 0.00 178.16 176.63 1xd4 h TYR 202 N 0.76 0.97 -0.52 -3.82 3.20 -1.93 -1.87 116.97 113.75 1xd4 h TYR 202 Ca 0.38 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1xd4 h TYR 202 Cb 0.34 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1xd4 h TYR 202 CO -0.07 0.87 0.22 -0.44 -1.64 0.00 0.00 178.16 177.10 1xd4 h ASP 203 N 0.84 0.71 -0.86 -2.11 3.32 -1.69 -0.83 116.42 115.81 1xd4 h ASP 203 Ca 0.16 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xd4 h ASP 203 Cb 0.48 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1xd4 h ASP 203 CO 0.02 0.67 0.56 -0.07 -1.72 0.00 0.00 179.24 178.71 1xd4 h LEU 204 N 0.70 1.00 -0.63 1.55 3.38 -1.06 0.12 115.31 120.37 1xd4 h LEU 204 Ca 0.18 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1xd4 h LEU 204 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xd4 h LEU 204 CO -0.02 0.73 0.09 0.58 0.09 0.00 0.00 178.44 179.92 1xd4 h VAL 205 N 1.17 1.26 -0.28 1.22 2.07 -1.01 0.18 116.25 120.87 1xd4 h VAL 205 Ca 0.31 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1xd4 h VAL 205 Cb -0.12 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1xd4 h VAL 205 CO -0.07 0.38 0.06 0.11 0.02 0.00 0.00 177.57 178.08 1xd4 h LYS 206 N 0.96 0.45 -0.42 1.57 1.57 -0.58 -0.73 116.57 119.39 1xd4 h LYS 206 Ca 0.19 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1xd4 h LYS 206 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1xd4 h LYS 206 CO 0.01 0.54 0.27 0.00 -0.57 0.00 0.00 179.45 179.70 1xd4 h ALA 207 N 0.89 0.53 -0.92 3.86 0.00 -0.58 -2.53 119.26 120.51 1xd4 h ALA 207 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xd4 h ALA 207 Cb 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1xd4 h ALA 207 CO 0.00 0.00 0.56 0.35 0.00 0.00 0.00 179.25 180.16 1xd4 h PHE 208 N 0.56 1.21 -0.77 0.00 3.57 -0.40 -1.24 116.94 119.88 1xd4 h PHE 208 Ca 0.15 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1xd4 h PHE 208 Cb -0.04 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.27 1xd4 h PHE 208 CO -0.04 0.80 0.29 0.52 -2.23 0.00 0.00 178.31 177.65 1xd4 h MET 209 N 1.27 1.15 -0.48 1.11 2.86 -0.77 0.01 114.93 120.09 1xd4 h MET 209 Ca 0.33 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1xd4 h MET 209 Cb -0.06 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1xd4 h MET 209 CO -0.06 0.94 -0.18 0.00 1.06 0.00 0.00 176.91 178.67 1xd4 h ALA 210 N 1.19 0.77 -0.12 6.32 0.00 -1.11 -2.28 119.26 124.03 1xd4 h ALA 210 Ca 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xd4 h ALA 210 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xd4 h ALA 210 CO -0.02 0.66 0.02 0.93 0.00 0.00 0.00 179.25 180.85 1xd4 h GLU 211 N 0.83 0.20 0.00 0.00 5.08 -0.76 -2.57 114.58 117.36 1xd4 h GLU 211 Ca 0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1xd4 h GLU 211 Cb 0.74 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1xd4 h GLU 211 CO 0.06 0.39 -0.13 0.97 -1.00 0.00 0.00 179.01 179.30 1xd4 h ILE 212 N -0.02 0.38 -0.06 3.13 2.10 -0.98 -0.52 117.51 121.54 1xd4 h ILE 212 Ca 0.04 -0.74 -0.21 0.00 1.08 0.00 0.00 64.86 65.02 1xd4 h ILE 212 Cb 0.28 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1xd4 h ILE 212 CO 0.00 0.12 -0.84 0.03 -1.08 0.00 0.00 178.15 176.39 1xd4 h ARG 213 N 0.00 0.52 -0.17 2.19 3.08 -1.26 0.30 114.38 119.03 1xd4 h ARG 213 Ca -0.00 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.49 1xd4 h ARG 213 Cb 0.53 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xd4 h ARG 213 CO 0.02 1.11 -0.22 0.37 -1.07 0.00 0.00 179.97 180.17 1xd4 h GLN 214 N 0.33 0.45 -0.31 0.04 -0.00 -1.03 -2.51 115.11 112.07 1xd4 h GLN 214 Ca -0.06 -0.26 0.03 0.00 -0.00 0.00 0.00 58.65 58.37 1xd4 h GLN 214 Cb 1.45 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.91 1xd4 h GLN 214 CO 0.15 0.84 0.12 -0.92 0.00 0.00 0.00 178.83 179.02 1xd4 h TYR 215 N 0.09 0.21 -0.92 3.99 3.20 -1.09 -0.25 116.97 122.19 1xd4 h TYR 215 Ca 0.02 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1xd4 h TYR 215 Cb 0.78 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1xd4 h TYR 215 CO 0.09 0.10 0.60 0.82 -1.64 0.00 0.00 178.16 178.13 1xd4 h ILE 216 N 0.26 1.15 -0.74 1.81 2.04 -0.92 0.14 117.51 121.25 1xd4 h ILE 216 Ca 0.14 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1xd4 h ILE 216 Cb 0.10 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 1xd4 h ILE 216 CO -0.13 0.21 0.21 -0.09 0.00 0.00 0.00 178.15 178.34 1xd4 h ARG 217 N 1.14 1.16 -0.62 2.37 2.43 -0.86 0.02 114.38 120.02 1xd4 h ARG 217 Ca 0.37 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1xd4 h ARG 217 Cb 0.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1xd4 h ARG 217 CO -0.11 1.00 0.03 0.93 -1.51 0.00 0.00 179.97 180.30 1xd4 h GLU 218 N 1.11 1.07 -0.70 0.20 5.08 0.54 -1.28 114.58 120.59 1xd4 h GLU 218 Ca 0.24 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1xd4 h GLU 218 Cb 0.34 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1xd4 h GLU 218 CO -0.00 1.02 0.27 -0.07 -1.00 0.00 0.00 179.01 179.23 1xd4 h LEU 219 N 0.98 0.98 -0.68 1.33 3.38 -0.35 -1.41 115.31 119.54 1xd4 h LEU 219 Ca 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xd4 h LEU 219 Cb 0.53 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1xd4 h LEU 219 CO 0.03 0.89 0.42 0.78 0.09 0.00 0.00 178.44 180.65 1xd4 h ASN 220 N 1.01 0.81 -0.15 -0.43 2.35 -0.59 -0.12 115.58 118.46 1xd4 h ASN 220 Ca 0.23 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1xd4 h ASN 220 Cb 0.23 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1xd4 h ASN 220 CO -0.02 0.62 0.06 0.25 -1.65 0.00 0.00 177.43 176.70 1xd4 h LEU 221 N 0.93 0.08 -0.46 1.61 5.85 -0.92 0.36 115.31 122.75 1xd4 h LEU 221 Ca 0.25 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1xd4 h LEU 221 Cb -0.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1xd4 h LEU 221 CO -0.05 0.07 0.27 0.40 -0.34 0.00 0.00 178.44 178.79 1xd4 h ILE 222 N 0.14 1.04 0.08 4.05 2.04 -0.94 0.00 117.51 123.92 1xd4 h ILE 222 Ca 0.06 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1xd4 h ILE 222 Cb 0.03 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1xd4 h ILE 222 CO -0.06 0.10 -0.04 0.40 0.00 0.00 0.00 178.15 178.55 1xd4 h ILE 223 N 0.54 1.16 0.06 -0.67 2.04 -0.66 0.36 117.51 120.33 1xd4 h ILE 223 Ca 0.19 -1.42 -0.25 0.00 1.00 0.00 0.00 64.86 64.38 1xd4 h ILE 223 Cb 0.03 2.00 0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1xd4 h ILE 223 CO -0.09 0.32 -1.08 0.11 0.00 0.00 0.00 178.15 177.40 1xd4 h LYS 224 N -0.81 0.43 0.00 2.37 1.79 -0.36 -1.77 116.57 118.21 1xd4 h LYS 224 Ca -0.01 -0.54 -0.28 0.00 -2.18 0.00 0.00 60.65 57.64 1xd4 h LYS 224 Cb 0.60 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 1xd4 h LYS 224 CO 0.02 1.20 -1.55 0.28 -1.08 0.00 0.00 179.45 178.31 1xd4 n VAL 225 N -3.70 1.53 0.04 0.50 0.31 -0.04 -4.23 118.33 112.73 1xd4 n VAL 225 Ca -0.09 -0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 63.92 1xd4 n VAL 225 Cb 0.91 -2.02 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 1xd4 n VAL 225 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1xd4 h PHE 226 N -1.00 0.57 0.25 3.52 0.04 -1.32 -3.41 116.94 115.59 1xd4 h PHE 226 Ca -0.42 -0.41 -0.33 0.00 2.80 0.00 0.00 57.97 59.60 1xd4 h PHE 226 Cb 1.35 -0.02 0.04 0.00 2.20 0.00 0.00 35.95 39.52 1xd4 h PHE 226 CO 0.04 1.61 -1.46 -0.09 -0.60 0.00 0.00 178.31 177.81 1xd4 h ARG 227 N -0.13 0.54 -0.87 1.51 2.43 -0.98 -3.37 114.38 113.51 1xd4 h ARG 227 Ca -0.32 -0.92 0.18 0.00 -0.81 0.00 0.00 59.98 58.12 1xd4 h ARG 227 Cb 1.91 0.34 -0.11 0.00 -0.42 0.00 0.00 29.97 31.69 1xd4 h ARG 227 CO 0.11 1.44 0.42 1.49 -1.51 0.00 0.00 179.97 181.92 1xd4 h GLU 228 N 0.12 0.51 0.00 0.20 4.57 -1.49 -0.48 114.58 118.01 1xd4 h GLU 228 Ca -0.25 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 1xd4 h GLU 228 Cb 2.15 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.63 1xd4 h GLU 228 CO 0.27 0.33 -0.12 -1.35 -1.18 0.00 0.00 179.01 176.97 1xd4 h PRO 229 N 0.52 0.00 0.02 0.92 0.11 -1.79 0.11 132.00 131.88 1xd4 h PRO 229 Ca 0.51 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.37 1xd4 h PRO 229 Cb 0.85 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.98 1xd4 h PRO 229 CO -0.44 0.12 -0.98 0.74 -0.21 0.00 0.00 178.00 177.23 1xd4 h PHE 230 N 0.00 0.96 -0.86 0.65 -1.00 -1.30 -2.93 116.94 112.46 1xd4 h PHE 230 Ca -0.00 -0.53 -0.03 0.00 2.81 0.00 0.00 57.97 60.22 1xd4 h PHE 230 Cb 0.23 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 1xd4 h PHE 230 CO 0.00 1.37 0.41 0.28 -1.61 0.00 0.00 178.31 178.76 1xd4 h VAL 231 N 0.27 1.26 -0.06 -0.55 2.07 -0.97 -2.85 116.25 115.42 1xd4 h VAL 231 Ca -0.13 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1xd4 h VAL 231 Cb 1.65 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1xd4 h VAL 231 CO 0.19 0.32 -0.21 0.28 0.02 0.00 0.00 177.57 178.17 1xd4 h SER 232 N 1.22 0.09 -3.03 0.57 0.02 -0.80 -3.33 113.55 108.30 1xd4 h SER 232 Ca 0.29 -0.02 -0.80 0.00 -0.84 0.00 0.00 61.79 60.43 1xd4 h SER 232 Cb 0.12 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 62.37 1xd4 h SER 232 CO -0.04 0.32 0.77 -3.20 -1.14 0.00 0.00 176.83 173.54 1xd4 n ASN 233 N -4.24 5.88 -0.09 3.07 2.85 -1.08 -4.83 115.26 116.81 1xd4 n ASN 233 Ca -0.02 -3.20 0.10 0.00 -0.11 0.00 0.00 54.58 51.35 1xd4 n ASN 233 Cb 0.30 -1.35 0.46 0.00 1.24 0.00 0.00 39.78 40.43 1xd4 n ASN 233 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xd4 h SER 234 N 6.08 0.44 -0.42 1.20 0.87 -1.76 -1.41 113.55 118.55 1xd4 h SER 234 Ca 0.21 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1xd4 h SER 234 Cb 0.74 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1xd4 h SER 234 CO 1.22 0.28 -0.13 0.11 -0.53 0.00 0.00 176.83 177.77 1xd4 h LYS 235 N 0.50 0.89 0.15 2.24 1.57 -1.94 -3.28 116.57 116.69 1xd4 h LYS 235 Ca 0.27 -0.32 -0.32 0.00 -1.87 0.00 0.00 60.65 58.41 1xd4 h LYS 235 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xd4 h LYS 235 CO -0.08 0.96 -1.55 -0.07 -0.57 0.00 0.00 179.45 178.14 1xd4 h LEU 236 N 0.79 0.49 -8.00 2.94 3.38 -1.81 -3.46 115.31 109.65 1xd4 h LEU 236 Ca 0.12 -0.65 -0.57 0.00 0.09 0.00 0.00 57.88 56.87 1xd4 h LEU 236 Cb 0.65 -0.16 -0.34 0.00 0.09 0.00 0.00 40.66 40.90 1xd4 h LEU 236 CO 0.05 1.54 -0.83 -0.36 0.09 0.00 0.00 178.44 178.93 1xd4 s PHE 237 N -2.61 1.84 0.97 1.13 0.08 -0.58 -5.08 117.98 113.74 1xd4 s PHE 237 Ca -0.10 -0.83 -0.15 0.00 0.12 0.00 0.00 56.93 55.97 1xd4 s PHE 237 Cb 0.06 -1.34 0.18 0.00 -0.57 0.00 0.00 43.02 41.36 1xd4 s PHE 237 CO 0.86 -0.43 1.23 -1.54 -0.10 0.00 0.00 175.22 175.25 1xd4 s SER 238 N 0.93 3.03 0.20 1.36 1.04 -1.26 -4.39 113.70 114.60 1xd4 s SER 238 Ca -0.08 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 56.76 1xd4 s SER 238 Cb -0.15 -0.78 0.12 0.00 0.10 0.00 0.00 66.02 65.32 1xd4 s SER 238 CO -0.00 -2.81 1.86 0.00 0.98 0.00 0.00 173.24 173.27 1xd4 h ALA 239 N -1.68 0.84 -0.79 5.32 0.00 -1.98 -2.53 119.26 118.43 1xd4 h ALA 239 Ca -0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1xd4 h ALA 239 Cb 1.28 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1xd4 h ALA 239 CO 0.46 0.25 0.41 -0.97 0.00 0.00 0.00 179.25 179.40 1xd4 h ASN 240 N 0.88 1.00 -0.37 0.00 -0.73 -1.97 0.37 115.58 114.76 1xd4 h ASN 240 Ca 0.24 -0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.36 1xd4 h ASN 240 Cb -0.09 -0.26 -0.05 0.00 0.27 0.00 0.00 38.32 38.20 1xd4 h ASN 240 CO -0.06 0.83 0.07 0.44 -0.37 0.00 0.00 177.43 178.34 1xd4 h ASP 241 N 1.10 0.00 0.04 1.15 3.32 -1.81 0.80 116.42 121.02 1xd4 h ASP 241 Ca 0.27 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1xd4 h ASP 241 Cb 0.06 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xd4 h ASP 241 CO -0.04 0.04 -0.02 0.58 -1.72 0.00 0.00 179.24 178.08 1xd4 h VAL 242 N 0.19 1.03 -0.65 -1.35 2.07 -1.19 -2.73 116.25 113.62 1xd4 h VAL 242 Ca 0.18 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1xd4 h VAL 242 Cb 0.21 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 1xd4 h VAL 242 CO -0.24 0.05 0.13 -0.08 0.02 0.00 0.00 177.57 177.46 1xd4 h GLU 243 N -0.14 0.24 0.00 1.57 4.57 -0.12 0.95 114.58 121.64 1xd4 h GLU 243 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xd4 h GLU 243 Cb 0.13 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1xd4 h GLU 243 CO 0.01 0.16 0.00 0.09 -1.18 0.00 0.00 179.01 178.09 1xd4 n ASN 244 N -5.15 0.11 -0.07 1.04 5.03 0.27 -0.39 115.26 116.11 1xd4 n ASN 244 Ca 0.11 0.54 -0.14 0.00 0.87 0.00 0.00 54.58 55.95 1xd4 n ASN 244 Cb 0.37 -0.56 -0.06 0.00 -1.02 0.00 0.00 39.78 38.52 1xd4 n ASN 244 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1xd4 n ILE 245 N -1.63 0.80 0.88 2.41 5.41 -0.38 -4.78 119.36 122.07 1xd4 n ILE 245 Ca 0.02 -0.23 0.09 0.00 1.00 0.00 0.00 62.75 63.63 1xd4 n ILE 245 Cb 0.12 -1.52 -0.08 0.00 -0.71 0.00 0.00 39.64 37.46 1xd4 n ILE 245 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1xd4 n PHE 246 N -3.46 0.00 -2.26 1.39 3.01 0.19 -4.97 117.46 111.35 1xd4 n PHE 246 Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.18 1xd4 n PHE 246 Cb 0.72 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1xd4 n PHE 246 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xd4 n SER 247 N -1.09 0.00 -1.59 4.37 2.88 0.48 -2.21 113.62 116.47 1xd4 n SER 247 Ca 0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1xd4 n SER 247 Cb 0.32 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1xd4 n SER 247 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xd4 n ARG 248 N 8.02 1.42 -0.29 -1.46 5.12 -1.26 -4.57 116.66 123.64 1xd4 n ARG 248 Ca 0.00 -0.87 0.07 0.00 -1.93 0.00 0.00 57.85 55.12 1xd4 n ARG 248 Cb 0.00 -1.34 0.29 0.00 -1.16 0.00 0.00 32.46 30.25 1xd4 n ARG 248 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1xd4 h ILE 249 N 0.74 0.98 -0.30 0.55 6.09 -1.85 -2.11 117.51 121.62 1xd4 h ILE 249 Ca 0.17 -0.31 -0.04 0.00 -1.37 0.00 0.00 64.86 63.31 1xd4 h ILE 249 Cb 1.15 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1xd4 h ILE 249 CO 0.39 0.17 0.04 0.58 -3.07 0.00 0.00 178.15 176.26 1xd4 h VAL 250 N 0.91 1.24 -0.71 2.19 2.07 -1.85 -1.89 116.25 118.20 1xd4 h VAL 250 Ca 0.41 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1xd4 h VAL 250 Cb 0.38 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1xd4 h VAL 250 CO -0.17 0.26 0.40 0.44 0.02 0.00 0.00 177.57 178.52 1xd4 h ASP 251 N 0.31 0.87 -0.61 0.57 3.32 -1.78 -1.66 116.42 117.45 1xd4 h ASP 251 Ca 0.09 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xd4 h ASP 251 Cb 0.35 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1xd4 h ASP 251 CO 0.01 0.71 0.38 0.40 -1.72 0.00 0.00 179.24 179.01 1xd4 h ILE 252 N 0.97 1.17 -0.45 0.35 2.04 -1.27 0.20 117.51 120.52 1xd4 h ILE 252 Ca 0.25 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1xd4 h ILE 252 Cb 0.02 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1xd4 h ILE 252 CO -0.04 0.18 -0.10 -0.74 0.00 0.00 0.00 178.15 177.45 1xd4 h HIS 253 N 0.85 0.96 -0.51 1.37 2.76 -0.70 -1.07 115.15 118.82 1xd4 h HIS 253 Ca 0.22 -0.20 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 1xd4 h HIS 253 Cb -0.04 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1xd4 h HIS 253 CO 0.00 0.95 0.06 0.93 -1.30 0.00 0.00 177.93 178.57 1xd4 h GLU 254 N 0.70 0.87 -0.47 5.26 5.08 -0.52 -1.47 114.58 124.03 1xd4 h GLU 254 Ca 0.12 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1xd4 h GLU 254 Cb 0.63 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1xd4 h GLU 254 CO 0.04 0.87 0.24 1.25 -1.00 0.00 0.00 179.01 180.42 1xd4 h LEU 255 N 0.75 0.60 -0.51 1.33 6.46 -0.89 -1.86 115.31 121.19 1xd4 h LEU 255 Ca 0.15 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1xd4 h LEU 255 Cb 0.44 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1xd4 h LEU 255 CO 0.02 0.53 0.20 0.28 -0.62 0.00 0.00 178.44 178.85 1xd4 h SER 256 N 0.62 0.71 -0.45 1.25 0.02 -0.97 0.48 113.55 115.20 1xd4 h SER 256 Ca 0.16 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1xd4 h SER 256 Cb 0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1xd4 h SER 256 CO -0.02 0.69 0.01 0.58 -1.14 0.00 0.00 176.83 176.94 1xd4 h VAL 257 N 0.68 1.25 -0.24 2.27 2.07 -1.16 -1.30 116.25 119.83 1xd4 h VAL 257 Ca 0.17 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1xd4 h VAL 257 Cb 0.20 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xd4 h VAL 257 CO -0.01 0.37 0.06 0.11 0.02 0.00 0.00 177.57 178.12 1xd4 h LYS 258 N 0.80 0.37 -0.01 1.57 1.57 -1.00 -1.24 116.57 118.63 1xd4 h LYS 258 Ca 0.15 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1xd4 h LYS 258 Cb 0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1xd4 h LYS 258 CO 0.02 0.47 -0.04 1.25 -0.57 0.00 0.00 179.45 180.58 1xd4 h LEU 259 N 0.21 -0.12 -0.80 2.94 6.46 -0.67 -2.09 115.31 121.24 1xd4 h LEU 259 Ca 0.08 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1xd4 h LEU 259 Cb 0.26 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 1xd4 h LEU 259 CO -0.00 -0.06 0.46 0.25 -0.62 0.00 0.00 178.44 178.46 1xd4 h LEU 260 N -0.07 0.98 -0.29 2.25 6.46 -1.21 -2.03 115.31 121.40 1xd4 h LEU 260 Ca 0.02 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1xd4 h LEU 260 Cb 0.10 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 1xd4 h LEU 260 CO -0.05 0.78 0.13 1.23 -0.62 0.00 0.00 178.44 179.90 1xd4 h GLY 261 N 1.10 0.38 0.92 3.75 0.00 -0.92 0.91 103.07 109.21 1xd4 h GLY 261 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1xd4 h GLY 261 CO -0.05 0.06 0.11 0.45 0.00 0.00 0.00 176.54 177.11 1xd4 h HIS 262 N 0.28 0.35 -0.60 5.60 3.86 -1.20 -1.90 115.15 121.54 1xd4 h HIS 262 Ca 0.12 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1xd4 h HIS 262 Cb 0.06 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1xd4 h HIS 262 CO -0.11 0.35 0.39 0.82 0.86 0.00 0.00 177.93 180.24 1xd4 h ILE 263 N 0.24 1.12 -0.28 2.45 2.04 -1.09 -0.88 117.51 121.10 1xd4 h ILE 263 Ca 0.08 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1xd4 h ILE 263 Cb 0.14 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1xd4 h ILE 263 CO -0.01 0.14 -0.08 -0.33 0.00 0.00 0.00 178.15 177.87 1xd4 h GLU 264 N 0.76 0.56 -0.19 2.37 5.08 -0.40 -2.03 114.58 120.73 1xd4 h GLU 264 Ca 0.23 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1xd4 h GLU 264 Cb -0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1xd4 h GLU 264 CO -0.06 0.76 0.08 -0.44 -1.00 0.00 0.00 179.01 178.36 1xd4 h ASP 265 N 0.31 0.26 -0.32 1.42 3.32 -0.88 -2.08 116.42 118.46 1xd4 h ASP 265 Ca 0.07 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.04 1xd4 h ASP 265 Cb 0.56 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 1xd4 h ASP 265 CO 0.03 0.34 -0.26 0.74 -1.72 0.00 0.00 179.24 178.37 1xd4 h THR 266 N 0.16 0.33 -0.18 0.35 2.02 -1.12 0.74 112.91 115.22 1xd4 h THR 266 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1xd4 h THR 266 Cb 0.16 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1xd4 h THR 266 CO -0.01 0.00 -0.12 0.58 0.37 0.00 0.00 175.52 176.34 1xd4 h VAL 267 N -0.24 0.65 -0.19 3.16 2.07 -1.19 -1.28 116.25 119.22 1xd4 h VAL 267 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1xd4 h VAL 267 Cb 0.49 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xd4 h VAL 267 CO -0.45 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 176.80 1xd4 h GLU 268 N -0.12 0.28 -0.08 1.57 5.08 -0.79 -1.97 114.58 118.56 1xd4 h GLU 268 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xd4 h GLU 268 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xd4 h GLU 268 CO -0.25 0.32 0.00 -0.12 -1.00 0.00 0.00 179.01 177.96 1xd4 n MET 269 N -4.37 1.54 -2.70 2.33 1.56 0.20 -4.82 117.12 110.87 1xd4 n MET 269 Ca -0.00 -0.80 -0.43 0.00 -0.27 0.00 0.00 57.70 56.20 1xd4 n MET 269 Cb 0.19 -1.42 -0.03 0.00 2.15 0.00 0.00 33.22 34.11 1xd4 n MET 269 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1xd4 s THR 270 N -1.91 4.37 0.72 1.12 2.01 -0.55 -5.03 115.64 116.38 1xd4 s THR 270 Ca 0.35 1.14 -0.08 0.00 0.31 0.00 0.00 61.69 63.41 1xd4 s THR 270 Cb 0.19 -4.50 0.06 0.00 0.01 0.00 0.00 72.50 68.26 1xd4 s THR 270 CO 0.29 -0.83 1.04 -1.81 -0.69 0.00 0.00 174.62 172.62 1xd4 s ASP 271 N 2.23 4.80 0.05 3.53 1.01 -1.26 -4.93 116.67 122.10 1xd4 s ASP 271 Ca 0.43 0.54 0.04 0.00 0.71 0.00 0.00 52.55 54.27 1xd4 s ASP 271 Cb -0.09 -1.18 0.22 0.00 1.01 0.00 0.00 42.92 42.88 1xd4 s ASP 271 CO 0.26 -1.63 1.13 -0.62 0.21 0.00 0.00 175.17 174.52 1xd4 n GLU 272 N -2.99 0.02 0.25 8.23 1.02 -1.26 -2.18 120.64 123.73 1xd4 n GLU 272 Ca 0.08 0.51 0.16 0.00 -0.02 0.00 0.00 57.16 57.89 1xd4 n GLU 272 Cb 0.60 -1.58 0.63 0.00 -0.02 0.00 0.00 31.44 31.08 1xd4 n GLU 272 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1xd4 h GLY 273 N 0.12 0.00 -5.23 0.62 0.00 -2.01 -3.44 103.07 93.14 1xd4 h GLY 273 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1xd4 h GLY 273 CO 0.00 0.00 -0.54 -0.56 0.00 0.00 0.00 176.54 175.44 1xd4 s SER 274 N -5.45 5.91 0.56 0.19 0.01 -0.93 -5.00 113.70 108.99 1xd4 s SER 274 Ca 0.02 0.26 0.33 0.00 1.31 0.00 0.00 55.95 57.86 1xd4 s SER 274 Cb 0.09 -1.78 1.64 0.00 0.21 0.00 0.00 66.02 66.17 1xd4 s SER 274 CO 0.52 0.32 2.11 1.55 0.41 0.00 0.00 173.24 178.15 1xd4 h PRO 275 N 4.39 0.00 -1.50 12.44 0.13 -1.89 -3.45 132.00 142.11 1xd4 h PRO 275 Ca -0.51 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.83 1xd4 h PRO 275 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 1xd4 h PRO 275 CO 0.61 0.07 0.75 -3.38 -0.23 0.00 0.00 178.00 175.83 1xd4 s HIS 276 N -4.05 -0.18 0.39 1.56 -3.43 -1.26 -4.99 115.29 103.34 1xd4 s HIS 276 Ca -0.02 0.19 -0.27 0.00 -0.80 0.00 0.00 55.06 54.16 1xd4 s HIS 276 Cb 0.12 0.50 -0.10 0.00 -1.43 0.00 0.00 32.58 31.67 1xd4 s HIS 276 CO 0.54 -0.24 1.47 -0.35 -2.00 0.00 0.00 174.74 174.17 1xd4 n PRO 277 N 0.15 2.58 -3.20 -0.38 -0.04 -1.26 -4.92 135.00 127.93 1xd4 n PRO 277 Ca -0.03 0.91 -0.45 0.00 -0.04 0.00 0.00 63.50 63.89 1xd4 n PRO 277 Cb 0.59 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 1xd4 n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xd4 s LEU 278 N -2.19 5.80 0.00 1.53 1.43 -1.26 -4.88 118.68 119.11 1xd4 s LEU 278 Ca 0.55 -1.68 0.25 0.00 -1.03 0.00 0.00 54.13 52.22 1xd4 s LEU 278 Cb -0.47 -2.26 0.40 0.00 0.03 0.00 0.00 46.19 43.89 1xd4 s LEU 278 CO 0.62 -0.98 1.37 1.33 0.23 0.00 0.00 176.35 178.93 1xd4 n VAL 279 N 5.32 0.00 -0.23 -1.59 0.24 -1.26 -4.44 118.33 116.37 1xd4 n VAL 279 Ca -0.09 -0.40 0.04 0.00 -2.04 0.00 0.00 64.34 61.85 1xd4 n VAL 279 Cb 0.42 1.18 0.16 0.00 -1.47 0.00 0.00 33.84 34.13 1xd4 n VAL 279 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1xd4 h GLY 280 N 4.77 0.98 1.36 7.63 0.00 -1.90 -1.11 103.07 114.80 1xd4 h GLY 280 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1xd4 h GLY 280 CO 0.00 -0.13 0.18 1.48 0.00 0.00 0.00 176.54 178.06 1xd4 h SER 281 N 0.33 0.75 -0.54 0.19 4.64 -1.87 -0.18 113.55 116.87 1xd4 h SER 281 Ca 0.38 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.66 1xd4 h SER 281 Cb 0.60 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 1xd4 h SER 281 CO -0.43 0.71 0.21 0.00 -0.87 0.00 0.00 176.83 176.44 1xd4 h PHE 283 N 0.40 0.59 -0.56 0.00 0.04 -1.25 -3.24 116.94 112.91 1xd4 h PHE 283 Ca 0.26 -0.25 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1xd4 h PHE 283 Cb 0.28 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1xd4 h PHE 283 CO -0.16 1.00 0.35 1.49 -0.60 0.00 0.00 178.31 180.39 1xd4 h GLU 284 N 0.01 0.68 -0.73 1.51 4.22 -0.68 -0.15 114.58 119.44 1xd4 h GLU 284 Ca -0.02 -0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.44 1xd4 h GLU 284 Cb 1.03 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 1xd4 h GLU 284 CO 0.08 0.45 0.42 0.22 -2.18 0.00 0.00 179.01 178.00 1xd4 h ASP 285 N 0.70 0.62 -0.13 1.04 1.82 -0.98 -0.52 116.42 118.97 1xd4 h ASP 285 Ca 0.22 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.80 1xd4 h ASP 285 Cb -0.01 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.90 1xd4 h ASP 285 CO -0.08 0.39 -0.27 -0.07 -1.61 0.00 0.00 179.24 177.60 1xd4 h LEU 286 N 0.76 0.47 -1.42 2.28 3.38 -1.47 -3.12 115.31 116.18 1xd4 h LEU 286 Ca 0.33 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xd4 h LEU 286 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1xd4 h LEU 286 CO -0.19 0.94 0.10 0.00 0.09 0.00 0.00 178.44 179.39 1xd4 h ALA 287 N 0.54 1.54 0.00 1.53 0.00 -0.81 -1.58 119.26 120.48 1xd4 h ALA 287 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1xd4 h ALA 287 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xd4 h ALA 287 CO 0.06 0.35 -0.27 1.49 0.00 0.00 0.00 179.25 180.88 1xd4 h GLU 288 N 0.49 0.00 -0.64 0.00 4.81 -1.10 -1.50 114.58 116.64 1xd4 h GLU 288 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1xd4 h GLU 288 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xd4 h GLU 288 CO -0.01 0.27 0.00 0.39 -0.73 0.00 0.00 179.01 178.94 1xd4 n GLU 289 N -3.81 3.30 -3.33 1.92 -0.58 -0.67 -4.90 120.64 112.57 1xd4 n GLU 289 Ca -0.01 -2.23 -0.23 0.00 -0.42 0.00 0.00 57.16 54.26 1xd4 n GLU 289 Cb 0.37 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1xd4 n GLU 289 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xd4 n LEU 290 N 0.73 -1.69 0.23 -4.62 4.77 -0.57 -4.84 117.00 111.02 1xd4 n LEU 290 Ca 0.20 -0.38 0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1xd4 n LEU 290 Cb 0.77 -2.23 0.69 0.00 -2.33 0.00 0.00 43.42 40.33 1xd4 n LEU 290 CO 0.20 0.17 0.97 0.00 -1.33 0.00 0.00 177.39 177.39 1xd4 h ALA 291 N 0.97 1.00 -0.02 -1.18 0.00 -1.57 -2.86 119.26 115.60 1xd4 h ALA 291 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xd4 h ALA 291 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xd4 h ALA 291 CO 0.54 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.98 1xd4 n PHE 292 N -2.76 0.01 -0.34 0.00 3.01 -1.26 -4.33 117.46 111.79 1xd4 n PHE 292 Ca 0.00 -0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1xd4 n PHE 292 Cb 0.23 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 39.93 1xd4 n PHE 292 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1xd4 h ASP 293 N 2.60 0.83 -0.97 4.37 5.19 -1.89 -1.91 116.42 124.64 1xd4 h ASP 293 Ca 0.00 0.06 0.28 0.00 -0.62 0.00 0.00 57.03 56.75 1xd4 h ASP 293 Cb 0.55 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.92 1xd4 h ASP 293 CO 0.00 0.42 0.70 -0.65 -3.12 0.00 0.00 179.24 176.59 1xd4 h PRO 294 N 0.90 0.03 -0.38 3.56 0.11 -1.84 -0.29 132.00 134.09 1xd4 h PRO 294 Ca 0.49 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.53 1xd4 h PRO 294 Cb 0.54 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1xd4 h PRO 294 CO -0.29 0.02 -0.07 1.88 -0.21 0.00 0.00 178.00 179.34 1xd4 h TYR 295 N 0.03 0.69 -0.22 0.65 0.05 -1.67 0.83 116.97 117.33 1xd4 h TYR 295 Ca 0.47 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 59.09 1xd4 h TYR 295 Cb 1.82 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 39.37 1xd4 h TYR 295 CO -0.00 0.69 -0.09 1.49 -1.05 0.00 0.00 178.16 179.20 1xd4 h GLU 296 N 0.60 0.44 -0.49 4.88 4.81 -1.18 0.66 114.58 124.29 1xd4 h GLU 296 Ca 0.11 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xd4 h GLU 296 Cb 0.48 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xd4 h GLU 296 CO 0.03 0.71 0.30 0.77 -0.73 0.00 0.00 179.01 180.09 1xd4 h SER 297 N 0.15 0.59 0.22 1.04 0.02 -1.36 0.07 113.55 114.28 1xd4 h SER 297 Ca 0.05 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xd4 h SER 297 Cb 0.57 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1xd4 h SER 297 CO 0.03 0.48 -0.17 0.22 -1.14 0.00 0.00 176.83 176.24 1xd4 h TYR 298 N 0.66 -0.45 -0.97 3.45 3.20 -0.71 -0.32 116.97 121.83 1xd4 h TYR 298 Ca 0.18 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1xd4 h TYR 298 Cb -0.01 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1xd4 h TYR 298 CO -0.03 -0.27 0.63 0.00 -1.64 0.00 0.00 178.16 176.86 1xd4 h ALA 299 N 0.34 1.44 -0.56 1.82 0.00 -0.63 0.80 119.26 122.47 1xd4 h ALA 299 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xd4 h ALA 299 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1xd4 h ALA 299 CO -0.01 0.41 0.24 -0.09 0.00 0.00 0.00 179.25 179.81 1xd4 h ARG 300 N 1.13 0.82 -0.12 0.00 2.43 -0.46 0.41 114.38 118.59 1xd4 h ARG 300 Ca 0.42 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1xd4 h ARG 300 Cb 0.18 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1xd4 h ARG 300 CO -0.16 0.69 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.39 1xd4 h ASP 301 N 0.76 0.35 0.61 -3.80 3.32 -0.13 -2.98 116.42 114.55 1xd4 h ASP 301 Ca 0.19 -0.52 -0.17 0.00 0.02 0.00 0.00 57.03 56.56 1xd4 h ASP 301 Cb 0.16 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1xd4 h ASP 301 CO -0.02 0.79 -0.76 0.40 -1.72 0.00 0.00 179.24 177.94 1xd4 h ILE 302 N -0.09 1.49 -0.55 0.35 1.08 -0.85 -3.24 117.51 115.70 1xd4 h ILE 302 Ca 0.01 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.04 1xd4 h ILE 302 Cb 0.71 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 1xd4 h ILE 302 CO 0.04 0.71 0.00 0.18 -0.69 0.00 0.00 178.15 178.39 1xd4 n LEU 303 N -3.70 3.32 -4.76 1.44 4.77 0.13 -4.80 117.00 113.39 1xd4 n LEU 303 Ca -0.02 -1.59 -0.40 0.00 -0.03 0.00 0.00 56.01 53.97 1xd4 n LEU 303 Cb 0.73 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1xd4 n LEU 303 CO 0.45 0.80 1.06 -0.60 -1.33 0.00 0.00 177.39 177.77 1xd4 s ARG 304 N -1.27 3.62 0.33 3.23 6.06 -1.12 -4.71 118.95 125.09 1xd4 s ARG 304 Ca 0.41 2.40 0.08 0.00 -2.50 0.00 0.00 55.73 56.13 1xd4 s ARG 304 Cb 0.22 -2.61 0.79 0.00 0.06 0.00 0.00 34.95 33.41 1xd4 s ARG 304 CO 0.30 -0.86 1.82 -1.35 -2.50 0.00 0.00 175.30 172.71 1xd4 h PRO 305 N 2.23 0.70 -0.60 5.12 0.11 -1.92 -2.31 132.00 135.33 1xd4 h PRO 305 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1xd4 h PRO 305 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xd4 h PRO 305 CO 0.61 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 179.27 1xd4 n GLY 306 N -1.39 1.76 0.43 -0.55 0.00 -1.26 -4.63 105.19 99.55 1xd4 n GLY 306 Ca 0.20 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1xd4 n GLY 306 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xd4 h PHE 307 N 2.47 -1.23 -0.34 1.61 3.57 -1.72 -2.52 116.94 118.79 1xd4 h PHE 307 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xd4 h PHE 307 Cb 1.01 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1xd4 h PHE 307 CO 0.48 -0.55 0.21 1.25 -2.23 0.00 0.00 178.31 177.47 1xd4 h HIS 308 N -0.73 0.40 -0.28 0.41 2.76 -1.85 -0.24 115.15 115.62 1xd4 h HIS 308 Ca -0.00 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1xd4 h HIS 308 Cb 0.72 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.49 1xd4 h HIS 308 CO -0.34 0.25 -0.09 -0.44 -1.30 0.00 0.00 177.93 176.01 1xd4 h ASP 309 N 0.43 -0.31 -0.21 3.26 3.32 -1.88 0.11 116.42 121.15 1xd4 h ASP 309 Ca 0.13 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1xd4 h ASP 309 Cb -0.03 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1xd4 h ASP 309 CO -0.04 -0.11 0.02 0.03 -1.72 0.00 0.00 179.24 177.41 1xd4 h ARG 310 N -0.03 0.46 0.01 3.56 2.47 -1.23 -1.79 114.38 117.84 1xd4 h ARG 310 Ca 0.14 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1xd4 h ARG 310 Cb 0.24 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1xd4 h ARG 310 CO -0.30 0.48 -0.01 0.35 0.56 0.00 0.00 179.97 181.04 1xd4 h PHE 311 N 0.45 -0.02 -0.66 3.04 3.57 0.45 -2.66 116.94 121.11 1xd4 h PHE 311 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1xd4 h PHE 311 Cb 0.27 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1xd4 h PHE 311 CO 0.01 0.13 0.40 -0.07 -2.23 0.00 0.00 178.31 176.54 1xd4 h LEU 312 N -0.16 0.78 -1.66 0.59 3.38 -0.51 -1.97 115.31 115.76 1xd4 h LEU 312 Ca -0.00 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1xd4 h LEU 312 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1xd4 h LEU 312 CO 0.00 0.61 0.37 0.28 0.09 0.00 0.00 178.44 179.79 1xd4 h SER 313 N 0.89 0.35 0.56 -0.43 0.02 -1.26 0.17 113.55 113.85 1xd4 h SER 313 Ca 0.24 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1xd4 h SER 313 Cb -0.04 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1xd4 h SER 313 CO -0.05 0.22 -0.58 -0.61 -1.14 0.00 0.00 176.83 174.67 1xd4 h GLN 314 N 0.40 0.02 0.00 3.45 5.75 -1.00 -1.87 115.11 121.86 1xd4 h GLN 314 Ca 0.25 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1xd4 h GLN 314 Cb 0.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1xd4 h GLN 314 CO -0.06 0.60 -0.68 -0.07 -2.65 0.00 0.00 178.83 175.97 1xd4 h LEU 315 N 0.02 0.00 -1.44 -2.39 4.07 -0.46 -3.35 115.31 111.75 1xd4 h LEU 315 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1xd4 h LEU 315 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1xd4 h LEU 315 CO 0.08 0.15 -0.14 -1.54 -1.08 0.00 0.00 178.44 175.91 1xd4 n SER 316 N -2.92 2.29 -4.73 -0.43 3.41 0.32 -2.73 113.62 108.82 1xd4 n SER 316 Ca 0.00 -1.64 -0.30 0.00 -0.26 0.00 0.00 58.87 56.66 1xd4 n SER 316 Cb 0.61 0.18 0.12 0.00 -0.26 0.00 0.00 64.21 64.86 1xd4 n SER 316 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1xd4 s LYS 317 N -1.78 1.67 -0.32 4.33 2.20 -0.72 -4.86 119.74 120.26 1xd4 s LYS 317 Ca 0.20 1.05 -0.43 0.00 -0.36 0.00 0.00 55.97 56.43 1xd4 s LYS 317 Cb 0.15 -1.84 -0.18 0.00 -1.51 0.00 0.00 37.83 34.46 1xd4 s LYS 317 CO 0.32 -2.02 1.61 -2.30 -0.36 0.00 0.00 175.35 172.60 1xd4 n PRO 318 N -3.76 0.59 -0.14 4.03 -0.02 -1.26 -1.70 135.00 132.75 1xd4 n PRO 318 Ca 0.08 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1xd4 n PRO 318 Cb 0.54 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1xd4 n PRO 318 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xd4 n GLY 319 N 3.79 2.45 0.22 -1.23 0.00 -1.26 -4.90 105.19 104.25 1xd4 n GLY 319 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 1xd4 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xd4 h ALA 320 N 0.00 -0.47 -0.92 4.61 0.00 -1.58 -1.40 119.26 119.50 1xd4 h ALA 320 Ca 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1xd4 h ALA 320 Cb 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1xd4 h ALA 320 CO 0.00 -0.58 0.56 0.00 0.00 0.00 0.00 179.25 179.23 1xd4 h ALA 321 N -0.36 1.34 -0.27 0.00 0.00 -1.71 -0.41 119.26 117.86 1xd4 h ALA 321 Ca -0.05 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1xd4 h ALA 321 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xd4 h ALA 321 CO 0.08 0.21 -0.35 -0.07 0.00 0.00 0.00 179.25 179.12 1xd4 h LEU 322 N 0.94 0.62 -0.40 0.00 3.38 -1.90 -2.09 115.31 115.86 1xd4 h LEU 322 Ca 0.44 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1xd4 h LEU 322 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xd4 h LEU 322 CO -0.24 0.92 -0.05 0.22 0.09 0.00 0.00 178.44 179.38 1xd4 h TYR 323 N 0.50 0.81 -0.86 1.13 3.20 -0.15 -2.08 116.97 119.52 1xd4 h TYR 323 Ca 0.05 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1xd4 h TYR 323 Cb 0.84 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1xd4 h TYR 323 CO 0.03 0.84 0.44 -0.07 -1.64 0.00 0.00 178.16 177.77 1xd4 h LEU 324 N 0.55 1.09 -1.05 2.82 3.38 -0.99 -2.08 115.31 119.03 1xd4 h LEU 324 Ca 0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1xd4 h LEU 324 Cb 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xd4 h LEU 324 CO 0.03 0.90 -0.02 1.56 0.09 0.00 0.00 178.44 181.00 1xd4 h GLN 325 N 1.21 0.66 0.00 1.13 4.20 -1.25 -2.43 115.11 118.63 1xd4 h GLN 325 Ca 0.30 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1xd4 h GLN 325 Cb 0.07 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1xd4 h GLN 325 CO -0.04 0.69 0.00 0.66 -0.67 0.00 0.00 178.83 179.47 1xd4 h SER 326 N 0.62 0.00 -0.33 1.46 4.64 -0.67 -2.54 113.55 116.72 1xd4 h SER 326 Ca 0.12 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1xd4 h SER 326 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1xd4 h SER 326 CO 0.02 0.00 -0.07 0.40 -0.87 0.00 0.00 176.83 176.31 1xd4 h ILE 327 N 0.00 1.25 0.00 0.95 1.08 -1.21 -3.48 117.51 116.10 1xd4 h ILE 327 Ca 0.00 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1xd4 h ILE 327 Cb 0.34 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1xd4 h ILE 327 CO 0.00 0.37 0.00 0.61 -0.69 0.00 0.00 178.15 178.44 1xd4 n GLY 328 N -0.56 2.99 3.72 5.37 0.00 -0.96 -5.03 105.19 110.73 1xd4 n GLY 328 Ca 0.02 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1xd4 n GLY 328 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xd4 n GLU 329 N -1.24 2.41 0.00 1.61 4.07 -1.26 -2.32 120.64 123.90 1xd4 n GLU 329 Ca 0.00 0.85 0.00 0.00 -0.06 0.00 0.00 57.16 57.95 1xd4 n GLU 329 Cb 0.00 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 28.81 1xd4 n GLU 329 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xd4 n GLY 330 N 1.94 2.89 0.07 8.31 0.00 -1.26 -4.90 105.19 112.23 1xd4 n GLY 330 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1xd4 n GLY 330 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xd4 h PHE 331 N 0.00 0.10 -0.97 1.61 3.57 -1.74 0.40 116.94 119.91 1xd4 h PHE 331 Ca 0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1xd4 h PHE 331 Cb 0.00 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1xd4 h PHE 331 CO 0.00 0.21 0.64 -0.22 -2.23 0.00 0.00 178.31 176.71 1xd4 h LYS 332 N -0.04 1.22 -0.20 1.11 3.64 -1.79 0.18 116.57 120.69 1xd4 h LYS 332 Ca 0.02 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 1xd4 h LYS 332 Cb 0.15 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xd4 h LYS 332 CO -0.00 0.81 -0.43 0.93 -2.27 0.00 0.00 179.45 178.49 1xd4 h GLU 333 N 1.26 0.64 -0.40 1.90 3.07 -1.93 -2.32 114.58 116.80 1xd4 h GLU 333 Ca 0.38 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1xd4 h GLU 333 Cb -0.05 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1xd4 h GLU 333 CO -0.11 1.04 0.19 0.00 -1.40 0.00 0.00 179.01 178.74 1xd4 h ALA 334 N 0.60 0.51 -0.21 3.43 0.00 -0.46 -1.08 119.26 122.04 1xd4 h ALA 334 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xd4 h ALA 334 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xd4 h ALA 334 CO 0.09 0.07 0.14 0.28 0.00 0.00 0.00 179.25 179.83 1xd4 h VAL 335 N 0.50 1.05 -0.20 0.00 2.07 -0.68 0.12 116.25 119.11 1xd4 h VAL 335 Ca 0.14 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 1xd4 h VAL 335 Cb 0.11 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1xd4 h VAL 335 CO -0.02 0.05 -0.38 -0.61 0.02 0.00 0.00 177.57 176.64 1xd4 h GLN 336 N 0.28 0.61 0.00 1.57 4.15 -1.31 -3.29 115.11 117.12 1xd4 h GLN 336 Ca 0.08 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1xd4 h GLN 336 Cb -0.03 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1xd4 h GLN 336 CO -0.02 1.00 -1.61 0.66 -1.93 0.00 0.00 178.83 176.93 1xd4 n TYR 337 N -4.26 0.00 -0.09 3.99 4.02 -0.42 -4.69 117.16 115.71 1xd4 n TYR 337 Ca -0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.67 1xd4 n TYR 337 Cb 0.52 -0.32 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 1xd4 n TYR 337 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1xd4 n VAL 338 N -1.98 1.06 -0.23 -0.72 0.31 0.26 -3.91 118.33 113.13 1xd4 n VAL 338 Ca -0.02 -0.35 0.03 0.00 -0.01 0.00 0.00 64.34 63.99 1xd4 n VAL 338 Cb 0.41 -1.40 0.14 0.00 -0.91 0.00 0.00 33.84 32.08 1xd4 n VAL 338 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1xd4 h LEU 339 N -0.28 -0.12 -2.05 7.52 5.85 -1.23 -0.65 115.31 124.34 1xd4 h LEU 339 Ca -0.45 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.53 1xd4 h LEU 339 Cb 1.56 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.80 1xd4 h LEU 339 CO -0.16 -0.07 0.31 1.55 -0.34 0.00 0.00 178.44 179.73 1xd4 h PRO 340 N 0.20 0.00 -0.00 5.25 0.13 -1.84 0.15 132.00 135.89 1xd4 h PRO 340 Ca 0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.47 1xd4 h PRO 340 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1xd4 h PRO 340 CO -0.51 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 177.16 1xd4 h ARG 341 N 0.00 0.07 -0.80 0.86 -0.00 -1.40 -3.25 114.38 109.85 1xd4 h ARG 341 Ca 0.18 -0.07 0.07 0.00 -0.50 0.00 0.00 59.98 59.66 1xd4 h ARG 341 Cb 0.79 0.02 -0.05 0.00 0.00 0.00 0.00 29.97 30.73 1xd4 h ARG 341 CO -0.00 0.82 0.53 -0.07 0.00 0.00 0.00 179.97 181.24 1xd4 h LEU 342 N -0.65 0.74 -0.46 3.04 3.38 -0.78 -0.92 115.31 119.66 1xd4 h LEU 342 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xd4 h LEU 342 Cb 0.85 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xd4 h LEU 342 CO 0.02 0.47 0.00 0.18 0.09 0.00 0.00 178.44 179.19 1xd4 n LEU 343 N -4.49 0.19 0.12 1.67 4.77 0.43 -1.07 117.00 118.62 1xd4 n LEU 343 Ca 0.12 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1xd4 n LEU 343 Cb 0.25 -0.60 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1xd4 n LEU 343 CO 0.33 -0.62 0.24 -0.07 -1.33 0.00 0.00 177.39 175.93 1xd4 h LEU 344 N 0.00 0.00 -0.80 2.23 3.38 -1.27 -3.39 115.31 115.46 1xd4 h LEU 344 Ca 0.00 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.12 1xd4 h LEU 344 Cb 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.63 1xd4 h LEU 344 CO 0.00 0.02 -0.08 0.00 0.09 0.00 0.00 178.44 178.47 1xd4 h ALA 345 N 2.08 0.73 -0.36 1.53 0.00 -1.21 0.13 119.26 122.17 1xd4 h ALA 345 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1xd4 h ALA 345 Cb 0.96 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1xd4 h ALA 345 CO 0.00 -0.43 0.24 -1.35 0.00 0.00 0.00 179.25 177.71 1xd4 h PRO 346 N 0.05 0.30 -0.01 0.00 0.11 -1.80 -0.37 132.00 130.29 1xd4 h PRO 346 Ca 0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 1xd4 h PRO 346 Cb 0.73 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1xd4 h PRO 346 CO -0.76 0.20 -0.00 0.28 -0.21 0.00 0.00 178.00 177.50 1xd4 h VAL 347 N 0.31 1.33 -0.39 3.15 2.07 -1.03 -0.90 116.25 120.78 1xd4 h VAL 347 Ca 0.15 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1xd4 h VAL 347 Cb 0.22 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1xd4 h VAL 347 CO -0.03 0.26 0.20 1.88 0.02 0.00 0.00 177.57 179.89 1xd4 h TYR 348 N -0.40 0.37 -0.22 1.57 0.05 -1.13 -1.57 116.97 115.64 1xd4 h TYR 348 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1xd4 h TYR 348 Cb 0.42 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1xd4 h TYR 348 CO 0.07 0.19 0.08 1.25 -1.05 0.00 0.00 178.16 178.70 1xd4 h HIS 349 N 0.41 0.14 -0.16 4.88 2.76 -1.04 -1.96 115.15 120.17 1xd4 h HIS 349 Ca 0.17 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.23 1xd4 h HIS 349 Cb 0.07 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1xd4 h HIS 349 CO -0.10 0.06 -0.42 0.00 -1.30 0.00 0.00 177.93 176.18 1xd4 h LEU 351 N 0.31 0.68 -1.31 0.00 3.38 -1.03 -2.16 115.31 115.18 1xd4 h LEU 351 Ca 0.03 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1xd4 h LEU 351 Cb 0.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1xd4 h LEU 351 CO 0.07 0.72 -0.31 -0.74 0.09 0.00 0.00 178.44 178.27 1xd4 h HIS 352 N 0.69 0.00 -0.23 1.13 2.76 -1.08 -3.00 115.15 115.42 1xd4 h HIS 352 Ca 0.15 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1xd4 h HIS 352 Cb 0.35 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 1xd4 h HIS 352 CO 0.02 0.31 -0.08 1.88 -1.30 0.00 0.00 177.93 178.76 1xd4 h TYR 353 N 0.00 -0.17 -0.93 5.26 0.05 -1.17 0.21 116.97 120.22 1xd4 h TYR 353 Ca -0.00 0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.94 1xd4 h TYR 353 Cb 0.66 0.11 -0.09 0.00 1.01 0.00 0.00 36.73 38.42 1xd4 h TYR 353 CO 0.00 -0.12 0.54 0.74 -1.05 0.00 0.00 178.16 178.27 1xd4 h PHE 354 N -0.03 0.97 0.00 4.88 0.04 -1.55 0.47 116.94 121.73 1xd4 h PHE 354 Ca 0.12 0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.67 1xd4 h PHE 354 Cb 0.20 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.07 1xd4 h PHE 354 CO -0.26 0.31 -1.00 1.49 -0.60 0.00 0.00 178.31 178.25 1xd4 h GLU 355 N 0.80 0.57 -0.15 1.51 4.57 -1.43 -3.13 114.58 117.31 1xd4 h GLU 355 Ca 0.49 -0.62 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1xd4 h GLU 355 Cb 0.61 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1xd4 h GLU 355 CO -0.32 1.23 0.08 1.25 -1.18 0.00 0.00 179.01 180.07 1xd4 h LEU 356 N 0.32 0.12 -1.21 1.64 6.46 0.39 -2.25 115.31 120.79 1xd4 h LEU 356 Ca -0.11 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1xd4 h LEU 356 Cb 1.65 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.53 1xd4 h LEU 356 CO 0.19 0.09 0.38 -0.07 -0.62 0.00 0.00 178.44 178.41 1xd4 h LEU 357 N 0.17 0.82 -0.21 2.25 3.38 -1.02 -0.64 115.31 120.06 1xd4 h LEU 357 Ca 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xd4 h LEU 357 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xd4 h LEU 357 CO -0.04 0.65 0.03 0.11 0.09 0.00 0.00 178.44 179.29 1xd4 h LYS 358 N 0.93 0.34 -0.71 1.13 1.57 -1.45 -1.51 116.57 116.88 1xd4 h LYS 358 Ca 0.24 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1xd4 h LYS 358 Cb 0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1xd4 h LYS 358 CO -0.04 0.50 0.23 1.96 -0.57 0.00 0.00 179.45 181.52 1xd4 h GLN 359 N 0.14 1.10 -0.47 3.15 4.20 -1.04 -1.73 115.11 120.46 1xd4 h GLN 359 Ca 0.06 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1xd4 h GLN 359 Cb 0.32 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1xd4 h GLN 359 CO 0.00 0.93 0.13 -0.07 -0.67 0.00 0.00 178.83 179.16 1xd4 h LEU 360 N 1.06 0.70 -0.37 1.46 3.38 -1.03 -1.38 115.31 119.13 1xd4 h LEU 360 Ca 0.23 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1xd4 h LEU 360 Cb 0.29 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1xd4 h LEU 360 CO -0.01 0.73 0.13 -0.08 0.09 0.00 0.00 178.44 179.30 1xd4 h GLU 361 N 0.63 0.28 -0.01 1.13 4.22 -0.97 0.26 114.58 120.11 1xd4 h GLU 361 Ca 0.15 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.50 1xd4 h GLU 361 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xd4 h GLU 361 CO -0.00 0.18 -0.35 1.49 -2.18 0.00 0.00 179.01 178.15 1xd4 h GLU 362 N 0.28 0.02 -0.01 1.92 4.81 -1.13 -3.17 114.58 117.31 1xd4 h GLU 362 Ca 0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xd4 h GLU 362 Cb 0.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1xd4 h GLU 362 CO -0.17 0.37 -0.64 1.63 -0.73 0.00 0.00 179.01 179.47 1xd4 n LYS 363 N -4.12 0.67 -1.75 1.92 5.02 -0.54 -4.98 118.16 114.38 1xd4 n LYS 363 Ca -0.02 -0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 1xd4 n LYS 363 Cb 0.39 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 1xd4 n LYS 363 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xd4 n SER 364 N -0.70 3.79 -1.24 4.39 2.88 0.87 -4.58 113.62 119.03 1xd4 n SER 364 Ca 0.07 1.17 0.09 0.00 -1.33 0.00 0.00 58.87 58.87 1xd4 n SER 364 Cb 0.40 -1.59 0.29 0.00 -0.75 0.00 0.00 64.21 62.56 1xd4 n SER 364 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xd4 n GLU 365 N 1.72 3.13 -4.14 -1.46 -0.58 -1.26 -4.88 120.64 113.16 1xd4 n GLU 365 Ca 0.07 -2.62 -0.23 0.00 -0.42 0.00 0.00 57.16 53.96 1xd4 n GLU 365 Cb 0.37 -1.63 -0.17 0.00 -0.57 0.00 0.00 31.44 29.44 1xd4 n GLU 365 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xd4 s ASP 366 N -1.03 1.52 0.25 1.62 2.15 -1.26 -4.95 116.67 114.96 1xd4 s ASP 366 Ca 0.43 -0.20 -0.05 0.00 0.43 0.00 0.00 52.55 53.17 1xd4 s ASP 366 Cb 0.26 -0.62 0.28 0.00 -0.30 0.00 0.00 42.92 42.53 1xd4 s ASP 366 CO 0.25 -0.07 1.82 -0.61 -0.17 0.00 0.00 175.17 176.39 1xd4 h GLN 367 N 7.54 1.06 -0.37 4.34 5.75 -1.99 0.15 115.11 131.60 1xd4 h GLN 367 Ca -0.31 -0.18 -0.13 0.00 -0.15 0.00 0.00 58.65 57.87 1xd4 h GLN 367 Cb 1.15 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1xd4 h GLN 367 CO 0.42 0.86 -0.31 1.49 -2.65 0.00 0.00 178.83 178.64 1xd4 h GLU 368 N 1.04 0.80 -0.27 1.69 4.81 -1.99 -1.67 114.58 119.00 1xd4 h GLU 368 Ca 0.24 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1xd4 h GLU 368 Cb 0.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xd4 h GLU 368 CO -0.02 1.00 0.02 0.22 -0.73 0.00 0.00 179.01 179.50 1xd4 h ASP 369 N 0.68 0.45 -0.58 1.04 3.58 -1.88 -2.33 116.42 117.38 1xd4 h ASP 369 Ca 0.07 -0.29 0.08 0.00 0.42 0.00 0.00 57.03 57.31 1xd4 h ASP 369 Cb 0.85 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.72 1xd4 h ASP 369 CO 0.07 0.63 0.24 0.11 -2.88 0.00 0.00 179.24 177.41 1xd4 h LYS 370 N 0.25 0.43 -0.28 0.28 1.57 -0.53 -1.87 116.57 116.42 1xd4 h LYS 370 Ca 0.08 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1xd4 h LYS 370 Cb 0.39 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1xd4 h LYS 370 CO 0.01 0.28 0.13 0.93 -0.57 0.00 0.00 179.45 180.23 1xd4 h GLU 371 N 0.44 0.27 -0.47 3.15 4.39 -1.13 -0.51 114.58 120.72 1xd4 h GLU 371 Ca 0.28 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.02 1xd4 h GLU 371 Cb 0.31 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 1xd4 h GLU 371 CO -0.26 0.18 0.19 0.00 -1.16 0.00 0.00 179.01 177.96 1xd4 h LEU 373 N 0.38 0.36 -0.70 0.00 3.38 -0.89 0.71 115.31 118.55 1xd4 h LEU 373 Ca 0.22 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1xd4 h LEU 373 Cb 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1xd4 h LEU 373 CO -0.20 0.26 0.36 0.11 0.09 0.00 0.00 178.44 179.07 1xd4 h LYS 374 N 0.43 0.62 -0.61 1.13 1.57 -0.67 -0.17 116.57 118.86 1xd4 h LYS 374 Ca 0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1xd4 h LYS 374 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1xd4 h LYS 374 CO -0.04 0.41 0.15 1.96 -0.57 0.00 0.00 179.45 181.36 1xd4 h GLN 375 N 0.64 0.98 -0.20 3.15 4.20 -0.69 -1.53 115.11 121.67 1xd4 h GLN 375 Ca 0.33 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1xd4 h GLN 375 Cb 0.30 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1xd4 h GLN 375 CO -0.24 0.90 0.10 0.00 -0.67 0.00 0.00 178.83 178.93 1xd4 h ALA 376 N 1.04 0.25 -0.45 3.87 0.00 -0.19 -0.06 119.26 123.71 1xd4 h ALA 376 Ca 0.19 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1xd4 h ALA 376 Cb 0.36 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1xd4 h ALA 376 CO 0.00 -0.21 0.01 0.82 0.00 0.00 0.00 179.25 179.87 1xd4 h ILE 377 N 0.21 0.66 0.03 0.00 2.04 -0.80 -1.75 117.51 117.90 1xd4 h ILE 377 Ca 0.07 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1xd4 h ILE 377 Cb 0.08 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1xd4 h ILE 377 CO -0.01 0.02 -0.02 0.74 0.00 0.00 0.00 178.15 178.89 1xd4 h THR 378 N 0.12 1.00 0.00 -0.27 2.02 -0.91 -2.33 112.91 112.53 1xd4 h THR 378 Ca 0.23 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1xd4 h THR 378 Cb 0.33 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1xd4 h THR 378 CO -0.37 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.54 1xd4 n ALA 379 N -2.13 1.19 0.80 6.16 0.00 -0.07 -1.84 120.51 124.63 1xd4 n ALA 379 Ca -0.07 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1xd4 n ALA 379 Cb 0.07 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.38 1xd4 n ALA 379 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xd4 n LEU 380 N -1.89 2.47 -0.31 0.00 4.77 -0.70 -4.60 117.00 116.73 1xd4 n LEU 380 Ca 0.00 -0.96 0.07 0.00 -0.03 0.00 0.00 56.01 55.09 1xd4 n LEU 380 Cb 0.07 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.43 1xd4 n LEU 380 CO 0.08 0.43 1.24 -0.07 -1.33 0.00 0.00 177.39 177.74 1xd4 h LEU 381 N 3.49 0.86 -0.08 2.23 3.38 -1.18 -1.33 115.31 122.67 1xd4 h LEU 381 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xd4 h LEU 381 Cb 0.77 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xd4 h LEU 381 CO 0.00 0.50 0.01 0.78 0.09 0.00 0.00 178.44 179.82 1xd4 h ASN 382 N 0.94 0.12 -0.82 -0.43 2.35 -1.81 -1.38 115.58 114.55 1xd4 h ASN 382 Ca 0.44 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1xd4 h ASN 382 Cb 0.41 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.69 1xd4 h ASN 382 CO -0.20 0.36 0.51 0.58 -1.65 0.00 0.00 177.43 177.04 1xd4 h VAL 383 N -0.12 1.07 -0.03 2.81 2.07 -1.79 -0.46 116.25 119.80 1xd4 h VAL 383 Ca 0.02 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xd4 h VAL 383 Cb 0.29 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1xd4 h VAL 383 CO 0.00 0.18 0.00 -0.61 0.02 0.00 0.00 177.57 177.16 1xd4 h GLN 384 N 0.96 0.05 -0.18 1.57 4.15 -1.14 -0.04 115.11 120.48 1xd4 h GLN 384 Ca 0.35 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.67 1xd4 h GLN 384 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1xd4 h GLN 384 CO -0.15 0.31 -0.24 0.66 -1.93 0.00 0.00 178.83 177.48 1xd4 h SER 385 N -0.21 0.33 -0.23 -0.69 4.64 -1.12 0.17 113.55 116.44 1xd4 h SER 385 Ca 0.01 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1xd4 h SER 385 Cb 0.29 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1xd4 h SER 385 CO 0.00 0.58 0.09 1.23 -0.87 0.00 0.00 176.83 177.86 1xd4 h GLY 386 N 0.98 0.37 1.63 -0.77 0.00 -0.92 -1.90 103.07 102.46 1xd4 h GLY 386 Ca 0.05 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 1xd4 h GLY 386 CO 0.04 0.19 -0.46 -0.33 0.00 0.00 0.00 176.54 175.98 1xd4 h MET 387 N 0.22 0.40 -0.71 4.80 2.86 -0.69 -2.95 114.93 118.86 1xd4 h MET 387 Ca 0.08 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1xd4 h MET 387 Cb 0.18 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1xd4 h MET 387 CO -0.01 0.78 0.44 1.49 1.06 0.00 0.00 176.91 180.67 1xd4 h GLU 388 N 0.33 0.83 -0.57 1.72 4.57 -0.43 0.10 114.58 121.13 1xd4 h GLU 388 Ca 0.02 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1xd4 h GLU 388 Cb 0.93 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1xd4 h GLU 388 CO 0.08 0.55 0.12 -0.22 -1.18 0.00 0.00 179.01 178.36 1xd4 h LYS 389 N 0.86 0.92 -0.44 1.92 3.64 -1.25 -2.20 116.57 120.02 1xd4 h LYS 389 Ca 0.29 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1xd4 h LYS 389 Cb 0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1xd4 h LYS 389 CO -0.11 0.87 0.08 0.82 -2.27 0.00 0.00 179.45 178.83 1xd4 h ILE 390 N 0.82 1.24 0.00 2.00 2.04 -1.25 -3.24 117.51 119.12 1xd4 h ILE 390 Ca 0.17 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1xd4 h ILE 390 Cb 0.38 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1xd4 h ILE 390 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.46 1xd4 h SER 392 N 0.00 0.00 -3.55 0.00 4.64 -1.42 -3.20 113.55 110.02 1xd4 h SER 392 Ca 0.00 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1xd4 h SER 392 Cb 0.80 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.01 1xd4 h SER 392 CO 0.00 0.00 0.55 0.29 -0.87 0.00 0.00 176.83 176.80 1xd4 n LYS 393 N -2.92 2.11 -0.19 4.77 5.02 -1.24 -4.70 118.16 121.00 1xd4 n LYS 393 Ca 0.03 0.74 -0.06 0.00 -2.02 0.00 0.00 58.31 57.00 1xd4 n LYS 393 Cb 0.53 -2.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.12 1xd4 n LYS 393 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xd4 h SER 394 N 2.35 -1.24 0.21 4.39 0.87 -1.93 -0.25 113.55 117.95 1xd4 h SER 394 Ca -0.48 0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1xd4 h SER 394 Cb 1.28 0.60 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1xd4 h SER 394 CO 0.61 -0.32 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.35 1xd4 h LEU 395 N -0.19 -0.45 -0.21 2.23 3.38 -1.96 -0.87 115.31 117.24 1xd4 h LEU 395 Ca 0.21 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1xd4 h LEU 395 Cb 0.56 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1xd4 h LEU 395 CO -0.67 -0.27 -0.11 0.00 0.09 0.00 0.00 178.44 177.48 1xd4 h ALA 396 N 0.35 0.06 -1.00 1.53 0.00 -1.78 -0.18 119.26 118.24 1xd4 h ALA 396 Ca -0.01 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1xd4 h ALA 396 Cb 0.36 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1xd4 h ALA 396 CO -0.02 -0.53 0.62 -0.22 0.00 0.00 0.00 179.25 179.10 1xd4 h LYS 397 N -0.09 0.76 -0.33 0.00 3.64 -0.79 0.94 116.57 120.70 1xd4 h LYS 397 Ca 0.12 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 1xd4 h LYS 397 Cb 0.27 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1xd4 h LYS 397 CO -0.27 0.50 -0.48 -0.09 -2.27 0.00 0.00 179.45 176.84 1xd4 h ARG 398 N 0.78 0.89 -0.00 1.90 2.43 0.05 -2.10 114.38 118.34 1xd4 h ARG 398 Ca 0.57 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xd4 h ARG 398 Cb 0.86 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1xd4 h ARG 398 CO -0.36 1.17 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 1xd4 h ARG 399 N 0.70 0.00 -0.82 0.20 3.08 0.72 0.13 114.38 118.40 1xd4 h ARG 399 Ca 0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1xd4 h ARG 399 Cb 1.08 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 1xd4 h ARG 399 CO 0.11 0.16 0.53 -0.07 -1.07 0.00 0.00 179.97 179.64 1xd4 h LEU 400 N -0.16 0.90 -1.00 3.04 3.38 -0.94 -0.62 115.31 119.90 1xd4 h LEU 400 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1xd4 h LEU 400 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xd4 h LEU 400 CO -0.00 0.63 -0.06 -1.28 0.09 0.00 0.00 178.44 177.82 1xd4 h SER 401 N 1.05 0.63 -0.23 -0.43 0.87 -1.23 -1.94 113.55 112.27 1xd4 h SER 401 Ca 0.32 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1xd4 h SER 401 Cb -0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1xd4 h SER 401 CO -0.09 0.74 0.14 -0.33 -0.53 0.00 0.00 176.83 176.75 1xd4 h GLU 402 N 0.61 0.28 -0.67 2.24 4.39 0.78 -3.04 114.58 119.16 1xd4 h GLU 402 Ca 0.12 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1xd4 h GLU 402 Cb 0.47 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 28.95 1xd4 h GLU 402 CO 0.02 0.18 0.22 0.43 -1.16 0.00 0.00 179.01 178.70 1xd4 n SER 403 N -4.95 4.66 -2.06 1.42 7.64 -0.73 -5.09 113.62 114.50 1xd4 n SER 403 Ca -0.03 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.62 1xd4 n SER 403 Cb 0.04 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1xd4 n SER 403 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xd4 n ALA 404 N -0.22 0.00 -2.39 -0.43 0.00 -0.74 -5.04 120.51 111.68 1xd4 n ALA 404 Ca 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 1xd4 n ALA 404 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.74 1xd4 n ALA 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xd4 n ALA 418 N -3.00 -3.51 1.60 0.00 0.00 -1.26 -5.12 120.51 109.22 1xd4 n ALA 418 Ca 0.00 1.39 0.01 0.00 0.00 0.00 0.00 53.44 54.84 1xd4 n ALA 418 Cb 0.00 -2.73 0.03 0.00 0.00 0.00 0.00 19.45 16.76 1xd4 n ALA 418 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xd4 n ILE 419 N 1.06 0.12 -0.02 0.00 5.41 -1.26 -4.20 119.36 120.48 1xd4 n ILE 419 Ca -0.22 -0.10 0.08 0.00 1.00 0.00 0.00 62.75 63.51 1xd4 n ILE 419 Cb 0.34 -0.05 0.48 0.00 -0.71 0.00 0.00 39.64 39.70 1xd4 n ILE 419 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1xd4 h LYS 420 N 0.41 0.43 -0.14 0.38 1.57 -2.03 -1.91 116.57 115.27 1xd4 h LYS 420 Ca 0.00 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1xd4 h LYS 420 Cb 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xd4 h LYS 420 CO 0.01 0.28 -0.43 0.87 -0.57 0.00 0.00 179.45 179.61 1xd4 h LYS 421 N 0.44 0.54 -0.50 3.15 1.57 -1.98 -1.81 116.57 117.97 1xd4 h LYS 421 Ca 0.20 -0.39 0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1xd4 h LYS 421 Cb 0.25 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1xd4 h LYS 421 CO -0.05 1.01 0.23 0.52 -0.57 0.00 0.00 179.45 180.59 1xd4 h MET 422 N 0.16 0.44 -0.03 3.15 2.86 -1.67 0.16 114.93 119.99 1xd4 h MET 422 Ca -0.01 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1xd4 h MET 422 Cb 1.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1xd4 h MET 422 CO 0.09 0.29 -0.63 -0.91 1.06 0.00 0.00 176.91 176.81 1xd4 h ASN 423 N 0.45 0.15 0.65 1.22 2.35 -1.50 -2.08 115.58 116.82 1xd4 h ASN 423 Ca 0.23 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 1xd4 h ASN 423 Cb 0.17 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1xd4 h ASN 423 CO -0.18 0.74 -0.43 -0.08 -1.65 0.00 0.00 177.43 175.82 1xd4 h GLU 424 N 0.09 0.00 0.21 0.81 4.81 -0.53 -2.07 114.58 117.91 1xd4 h GLU 424 Ca -0.01 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 1xd4 h GLU 424 Cb 1.13 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.54 1xd4 h GLU 424 CO 0.09 0.43 -1.52 0.82 -0.73 0.00 0.00 179.01 178.11 1xd4 h ILE 425 N 0.00 1.22 -0.12 2.32 2.04 -0.52 -3.25 117.51 119.20 1xd4 h ILE 425 Ca -0.00 -2.72 -0.08 0.00 1.00 0.00 0.00 64.86 63.05 1xd4 h ILE 425 Cb 0.88 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.89 1xd4 h ILE 425 CO 0.06 0.83 -0.29 -0.61 0.00 0.00 0.00 178.15 178.14 1xd4 h GLN 426 N 0.12 0.23 0.00 2.37 4.15 -1.34 -2.46 115.11 118.18 1xd4 h GLN 426 Ca -0.26 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1xd4 h GLN 426 Cb 2.12 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.79 1xd4 h GLN 426 CO 0.24 0.51 0.00 1.17 -1.93 0.00 0.00 178.83 178.81 1xd4 n LYS 427 N -4.13 0.66 -0.13 1.69 4.81 -0.78 -1.80 118.16 118.48 1xd4 n LYS 427 Ca -0.01 0.02 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1xd4 n LYS 427 Cb 0.39 -1.50 0.11 0.00 0.02 0.00 0.00 35.03 34.05 1xd4 n LYS 427 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1xd4 n ASN 428 N -1.11 2.63 -4.20 3.14 4.05 -0.93 -4.79 115.26 114.05 1xd4 n ASN 428 Ca 0.17 -2.32 -0.33 0.00 0.45 0.00 0.00 54.58 52.55 1xd4 n ASN 428 Cb 0.14 -0.22 -0.16 0.00 1.23 0.00 0.00 39.78 40.77 1xd4 n ASN 428 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xd4 s ILE 429 N -1.56 2.33 0.27 -1.44 1.01 -0.74 -2.19 121.20 118.88 1xd4 s ILE 429 Ca 0.19 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 1xd4 s ILE 429 Cb 0.13 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.57 1xd4 s ILE 429 CO 0.07 0.53 0.61 -0.62 0.00 0.00 0.00 174.94 175.53 1xd4 s ASP 430 N 0.91 6.63 -0.86 3.58 2.15 0.18 -4.43 116.67 124.82 1xd4 s ASP 430 Ca -0.04 0.99 -0.02 0.00 0.43 0.00 0.00 52.55 53.90 1xd4 s ASP 430 Cb -0.15 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1xd4 s ASP 430 CO -0.03 -0.14 0.73 0.61 -0.17 0.00 0.00 175.17 176.17 1xd4 n GLY 431 N -0.37 -0.09 3.77 2.66 0.00 -1.26 -0.85 105.19 109.05 1xd4 n GLY 431 Ca 0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1xd4 n GLY 431 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xd4 s TRP 432 N -3.24 3.06 0.17 1.61 -0.11 -1.26 -4.52 118.94 114.65 1xd4 s TRP 432 Ca 0.16 1.56 0.08 0.00 1.22 0.00 0.00 56.10 59.12 1xd4 s TRP 432 Cb -0.07 -3.36 -0.04 0.00 -1.50 0.00 0.00 33.47 28.50 1xd4 s TRP 432 CO 0.50 -1.27 -0.17 -1.21 -4.62 0.00 0.00 176.95 170.18 1xd4 s GLU 433 N -2.38 1.27 2.26 5.86 2.02 -1.26 -5.08 118.70 121.39 1xd4 s GLU 433 Ca 0.58 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1xd4 s GLU 433 Cb -0.29 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.68 1xd4 s GLU 433 CO 0.37 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.30 1xd4 n GLY 434 N 0.15 -0.54 3.89 -1.39 0.00 -1.26 -4.88 105.19 101.15 1xd4 n GLY 434 Ca -0.12 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1xd4 n GLY 434 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xd4 s LYS 435 N 0.00 1.46 0.93 1.61 1.02 -1.26 -5.05 119.74 118.45 1xd4 s LYS 435 Ca 0.00 -0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.87 1xd4 s LYS 435 Cb 0.00 -1.90 0.15 0.00 -0.52 0.00 0.00 37.83 35.56 1xd4 s LYS 435 CO 0.00 -1.92 1.10 -0.51 -0.92 0.00 0.00 175.35 173.10 1xd4 s ASP 436 N -4.59 3.00 0.25 2.83 1.11 -1.26 -4.91 116.67 113.09 1xd4 s ASP 436 Ca 0.66 1.85 -0.04 0.00 0.18 0.00 0.00 52.55 55.20 1xd4 s ASP 436 Cb -0.09 -2.43 0.28 0.00 1.07 0.00 0.00 42.92 41.75 1xd4 s ASP 436 CO 0.51 -2.99 1.78 0.40 1.18 0.00 0.00 175.17 176.05 1xd4 h ILE 437 N -1.79 1.24 0.00 0.77 2.04 -1.96 -2.12 117.51 115.68 1xd4 h ILE 437 Ca -0.48 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1xd4 h ILE 437 Cb 1.28 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1xd4 h ILE 437 CO 0.48 0.34 0.00 1.23 0.00 0.00 0.00 178.15 180.19 1xd4 h GLY 438 N 1.03 0.00 -1.62 5.37 0.00 -1.92 -0.46 103.07 105.48 1xd4 h GLY 438 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1xd4 h GLY 438 CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1xd4 n GLN 439 N -2.70 2.18 0.00 4.80 1.13 -0.80 -4.16 117.38 117.83 1xd4 n GLN 439 Ca 0.01 -1.16 0.00 0.00 -1.94 0.00 0.00 57.00 53.91 1xd4 n GLN 439 Cb 0.23 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1xd4 n GLN 439 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xd4 n ASN 442 N 0.47 2.96 -3.72 0.00 3.02 -1.26 -4.59 115.26 112.15 1xd4 n ASN 442 Ca -0.15 -0.08 -0.11 0.00 -0.03 0.00 0.00 54.58 54.21 1xd4 n ASN 442 Cb 0.56 0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.43 1xd4 n ASN 442 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xd4 s GLU 443 N -1.35 0.92 -0.23 3.52 2.12 -1.26 -5.04 118.70 117.39 1xd4 s GLU 443 Ca 0.00 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.61 1xd4 s GLU 443 Cb 0.00 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 1xd4 s GLU 443 CO 0.00 -0.32 0.09 0.12 -0.54 0.00 0.00 175.26 174.61 1xd4 s PHE 444 N -3.21 3.19 -0.04 5.30 5.36 -1.26 -2.19 117.98 125.13 1xd4 s PHE 444 Ca -0.00 -0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 55.84 1xd4 s PHE 444 Cb 0.01 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1xd4 s PHE 444 CO -0.08 -0.09 -0.07 -0.89 -1.46 0.00 0.00 175.22 172.64 1xd4 n ILE 445 N 4.34 0.31 -4.23 3.12 5.41 0.11 -4.96 119.36 123.45 1xd4 n ILE 445 Ca -0.16 0.43 -0.13 0.00 1.00 0.00 0.00 62.75 63.89 1xd4 n ILE 445 Cb 0.52 -1.68 -0.10 0.00 -0.71 0.00 0.00 39.64 37.67 1xd4 n ILE 445 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1xd4 s MET 446 N -1.38 1.02 -0.24 0.38 -1.94 -0.77 -4.97 119.30 111.40 1xd4 s MET 446 Ca -0.06 -1.44 -0.03 0.00 -1.71 0.00 0.00 55.69 52.45 1xd4 s MET 446 Cb 0.01 -0.46 0.11 0.00 2.01 0.00 0.00 34.83 36.50 1xd4 s MET 446 CO 0.08 0.01 0.26 -2.00 -0.01 0.00 0.00 175.02 173.36 1xd4 s GLU 447 N -3.80 0.25 0.00 2.03 2.12 -1.26 0.20 118.70 118.25 1xd4 s GLU 447 Ca 0.17 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.57 1xd4 s GLU 447 Cb 0.04 -0.93 0.00 0.00 0.26 0.00 0.00 34.13 33.50 1xd4 s GLU 447 CO -0.00 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 1xd4 n GLY 448 N 5.32 4.27 3.21 -1.50 0.00 -0.66 -4.97 105.19 110.86 1xd4 n GLY 448 Ca -0.04 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1xd4 n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xd4 s THR 449 N -1.78 1.62 0.13 2.61 2.01 -1.26 -0.44 115.64 118.53 1xd4 s THR 449 Ca 0.00 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1xd4 s THR 449 Cb 0.00 -1.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1xd4 s THR 449 CO 0.00 0.46 0.25 -0.76 -0.69 0.00 0.00 174.62 173.88 1xd4 s LEU 450 N -0.44 1.14 -0.18 4.42 1.43 -0.96 -4.63 118.68 119.46 1xd4 s LEU 450 Ca 0.07 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1xd4 s LEU 450 Cb -0.08 1.16 -0.00 0.00 0.03 0.00 0.00 46.19 47.30 1xd4 s LEU 450 CO -0.00 -0.82 -0.12 -0.89 0.23 0.00 0.00 176.35 174.75 1xd4 s THR 451 N -3.91 2.84 -0.40 5.49 2.01 0.68 -1.37 115.64 120.98 1xd4 s THR 451 Ca 0.11 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1xd4 s THR 451 Cb 0.04 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.33 1xd4 s THR 451 CO -0.06 0.49 1.00 -0.60 -0.69 0.00 0.00 174.62 174.76 1xd4 s ARG 452 N 1.14 3.79 -0.43 4.92 3.52 -1.26 -0.09 118.95 130.54 1xd4 s ARG 452 Ca 0.01 0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 55.87 1xd4 s ARG 452 Cb -0.14 -3.84 -0.10 0.00 -1.56 0.00 0.00 34.95 29.31 1xd4 s ARG 452 CO -0.04 -1.10 2.32 0.28 -0.81 0.00 0.00 175.30 175.95 1xd4 n VAL 453 N 6.25 0.12 0.00 7.11 0.31 0.43 0.38 118.33 132.93 1xd4 n VAL 453 Ca 0.09 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1xd4 n VAL 453 Cb 0.48 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 1xd4 n VAL 453 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xd4 n GLY 454 N 6.23 1.41 3.90 2.92 0.00 -1.26 -4.70 105.19 113.68 1xd4 n GLY 454 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 1xd4 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xd4 s ALA 455 N -1.53 3.05 -0.13 4.61 0.00 0.16 -5.04 121.76 122.88 1xd4 s ALA 455 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1xd4 s ALA 455 Cb 0.00 -2.84 -0.24 0.00 0.00 0.00 0.00 23.12 20.04 1xd4 s ALA 455 CO 0.00 -1.04 0.32 1.17 0.00 0.00 0.00 175.76 176.21 1xd4 n LYS 456 N -2.86 0.71 -5.02 0.00 3.00 -1.26 -4.86 118.16 107.87 1xd4 n LYS 456 Ca 0.06 0.23 -0.28 0.00 -0.00 0.00 0.00 58.31 58.32 1xd4 n LYS 456 Cb 0.58 -1.69 -0.16 0.00 0.00 0.00 0.00 35.03 33.76 1xd4 n LYS 456 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1xd4 s HIS 457 N -2.56 2.00 0.06 5.64 3.76 -1.26 -5.09 115.29 117.85 1xd4 s HIS 457 Ca -0.19 -0.57 -0.34 0.00 -0.15 0.00 0.00 55.06 53.80 1xd4 s HIS 457 Cb 0.07 -1.33 -0.13 0.00 1.11 0.00 0.00 32.58 32.30 1xd4 s HIS 457 CO 0.76 -0.18 1.66 -0.85 -0.85 0.00 0.00 174.74 175.29 1xd4 n GLU 458 N 3.03 2.05 -3.51 1.40 0.28 -1.26 -4.78 120.64 117.85 1xd4 n GLU 458 Ca -0.18 0.74 -0.38 0.00 -0.16 0.00 0.00 57.16 57.19 1xd4 n GLU 458 Cb 0.53 -2.52 -0.06 0.00 1.43 0.00 0.00 31.44 30.81 1xd4 n GLU 458 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1xd4 s ARG 459 N 2.01 3.89 0.14 3.44 0.52 -0.47 -4.72 118.95 123.75 1xd4 s ARG 459 Ca 0.84 0.38 -0.25 0.00 -0.52 0.00 0.00 55.73 56.19 1xd4 s ARG 459 Cb -0.72 -3.19 -0.07 0.00 0.52 0.00 0.00 34.95 31.49 1xd4 s ARG 459 CO 0.44 0.67 0.75 -1.58 0.02 0.00 0.00 175.30 175.61 1xd4 s HIS 460 N -1.13 3.87 -0.05 -0.53 5.65 0.39 -2.27 115.29 121.23 1xd4 s HIS 460 Ca 0.25 1.57 0.03 0.00 0.25 0.00 0.00 55.06 57.17 1xd4 s HIS 460 Cb -0.16 -2.75 0.00 0.00 -1.18 0.00 0.00 32.58 28.49 1xd4 s HIS 460 CO 0.14 0.48 -0.14 0.42 -0.65 0.00 0.00 174.74 174.99 1xd4 s ILE 461 N -0.96 1.24 -0.22 0.89 1.01 0.42 0.31 121.20 123.88 1xd4 s ILE 461 Ca 0.35 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1xd4 s ILE 461 Cb -0.22 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1xd4 s ILE 461 CO 0.25 0.37 0.01 -0.36 0.00 0.00 0.00 174.94 175.21 1xd4 s PHE 462 N 0.22 3.04 -0.24 3.97 0.40 0.27 -1.66 117.98 123.98 1xd4 s PHE 462 Ca -0.07 -0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 55.64 1xd4 s PHE 462 Cb -0.12 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 1xd4 s PHE 462 CO 0.02 -0.35 0.06 -1.17 0.70 0.00 0.00 175.22 174.48 1xd4 s LEU 463 N 1.31 3.41 0.33 -0.37 0.20 0.54 0.29 118.68 124.40 1xd4 s LEU 463 Ca 0.04 -0.21 0.10 0.00 0.69 0.00 0.00 54.13 54.75 1xd4 s LEU 463 Cb -0.15 -1.91 -0.06 0.00 -0.43 0.00 0.00 46.19 43.65 1xd4 s LEU 463 CO 0.01 -0.03 -0.04 -0.36 -0.29 0.00 0.00 176.35 175.64 1xd4 s PHE 464 N 1.56 2.49 0.55 5.38 0.40 0.43 0.07 117.98 128.87 1xd4 s PHE 464 Ca 0.06 -0.43 0.28 0.00 -0.60 0.00 0.00 56.93 56.24 1xd4 s PHE 464 Cb -0.15 -1.38 1.69 0.00 0.51 0.00 0.00 43.02 43.68 1xd4 s PHE 464 CO 0.03 0.55 2.21 0.38 0.70 0.00 0.00 175.22 179.09 1xd4 h ASP 465 N 1.93 0.00 0.00 1.36 2.03 -1.81 -2.74 116.42 117.18 1xd4 h ASP 465 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1xd4 h ASP 465 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1xd4 h ASP 465 CO 0.67 0.03 -0.73 0.61 -1.03 0.00 0.00 179.24 178.78 1xd4 n GLY 466 N -1.23 -0.09 3.09 7.15 0.00 -1.26 -4.73 105.19 108.12 1xd4 n GLY 466 Ca -0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1xd4 n GLY 466 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xd4 s LEU 467 N -2.80 0.93 -0.38 0.99 1.43 -1.03 -2.04 118.68 115.78 1xd4 s LEU 467 Ca 0.02 0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1xd4 s LEU 467 Cb 0.07 0.76 0.08 0.00 0.03 0.00 0.00 46.19 47.13 1xd4 s LEU 467 CO 0.42 -0.10 0.16 -0.32 0.23 0.00 0.00 176.35 176.74 1xd4 s MET 468 N 0.45 2.35 -0.26 1.70 -2.45 -0.59 0.16 119.30 120.66 1xd4 s MET 468 Ca -0.03 -1.51 -0.12 0.00 -1.25 0.00 0.00 55.69 52.78 1xd4 s MET 468 Cb -0.04 -3.53 -0.05 0.00 1.25 0.00 0.00 34.83 32.46 1xd4 s MET 468 CO -0.02 -0.89 0.23 0.42 1.05 0.00 0.00 175.02 175.81 1xd4 s ILE 469 N 1.28 5.30 -0.29 10.11 1.01 0.15 -2.07 121.20 136.68 1xd4 s ILE 469 Ca 0.02 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.86 1xd4 s ILE 469 Cb -0.22 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1xd4 s ILE 469 CO -0.01 0.27 0.15 0.00 0.00 0.00 0.00 174.94 175.34 1xd4 s LYS 472 N -3.68 3.09 -0.09 0.00 2.20 0.18 -0.46 119.74 120.97 1xd4 s LYS 472 Ca 0.34 -0.70 -0.25 0.00 -0.36 0.00 0.00 55.97 55.00 1xd4 s LYS 472 Cb 0.07 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 1xd4 s LYS 472 CO 0.17 0.34 0.80 0.45 -0.36 0.00 0.00 175.35 176.75 1xd4 s SER 473 N 0.00 7.05 -0.20 1.43 0.15 -1.26 -0.90 113.70 119.97 1xd4 s SER 473 Ca -0.04 1.28 0.12 0.00 0.70 0.00 0.00 55.95 58.01 1xd4 s SER 473 Cb -0.14 -2.46 0.41 0.00 -1.71 0.00 0.00 66.02 62.12 1xd4 s SER 473 CO 0.04 -0.23 1.24 0.59 1.20 0.00 0.00 173.24 176.08 1xd4 n ASN 474 N 4.26 1.96 -4.68 5.45 3.02 0.91 -4.98 115.26 121.19 1xd4 n ASN 474 Ca 0.02 -3.73 -0.45 0.00 -0.03 0.00 0.00 54.58 50.39 1xd4 n ASN 474 Cb 0.50 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 1xd4 n ASN 474 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1xd4 n HIS 475 N -1.17 2.44 0.00 3.10 -0.00 -1.21 -1.90 115.22 116.49 1xd4 n HIS 475 Ca 0.20 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1xd4 n HIS 475 Cb 0.72 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 1xd4 n HIS 475 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xd4 n GLY 476 N 4.16 2.84 3.79 1.57 0.00 -1.26 -5.01 105.19 111.27 1xd4 n GLY 476 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1xd4 n GLY 476 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xd4 s GLN 477 N 0.00 3.96 0.34 1.61 -0.21 -0.80 -4.99 119.66 119.57 1xd4 s GLN 477 Ca 0.00 1.48 -0.29 0.00 0.02 0.00 0.00 55.36 56.58 1xd4 s GLN 477 Cb 0.00 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.57 1xd4 s GLN 477 CO 0.00 -0.32 1.36 -1.25 -2.12 0.00 0.00 175.29 172.96 1xd4 s PRO 478 N -2.83 4.29 0.15 2.91 0.04 -1.26 -5.05 135.00 133.24 1xd4 s PRO 478 Ca 0.63 2.32 0.08 0.00 0.04 0.00 0.00 61.00 64.06 1xd4 s PRO 478 Cb -0.20 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1xd4 s PRO 478 CO 0.25 -0.29 -0.18 1.03 0.04 0.00 0.00 177.00 177.85 1xd4 s ARG 479 N -1.85 1.22 0.47 4.56 3.00 -1.26 -5.14 118.95 119.95 1xd4 s ARG 479 Ca 0.50 -1.34 -0.20 0.00 0.00 0.00 0.00 55.73 54.69 1xd4 s ARG 479 Cb -0.42 -1.31 -0.09 0.00 0.00 0.00 0.00 34.95 33.13 1xd4 s ARG 479 CO 0.56 0.27 1.00 -1.17 0.00 0.00 0.00 175.30 175.96 1xd4 s LEU 480 N -2.48 3.87 0.38 2.53 2.96 -1.26 -4.98 118.68 119.70 1xd4 s LEU 480 Ca 0.13 1.81 -0.28 0.00 -0.22 0.00 0.00 54.13 55.57 1xd4 s LEU 480 Cb -0.07 -4.55 -0.11 0.00 0.50 0.00 0.00 46.19 41.97 1xd4 s LEU 480 CO 0.06 -0.60 1.47 -2.16 -1.32 0.00 0.00 176.35 173.80 1xd4 s PRO 481 N -3.27 4.10 0.00 0.98 0.04 -1.26 -1.64 135.00 133.96 1xd4 s PRO 481 Ca 0.64 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.23 1xd4 s PRO 481 Cb -0.13 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1xd4 s PRO 481 CO 0.18 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1xd4 n GLY 482 N 0.48 2.47 3.89 0.56 0.00 -1.26 -5.03 105.19 106.30 1xd4 n GLY 482 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1xd4 n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xd4 s ALA 483 N -2.23 3.05 0.33 4.61 0.00 -0.65 -5.01 121.76 121.87 1xd4 s ALA 483 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 1xd4 s ALA 483 Cb 0.00 -2.91 -0.12 0.00 0.00 0.00 0.00 23.12 20.09 1xd4 s ALA 483 CO 0.00 -0.94 1.31 0.45 0.00 0.00 0.00 175.76 176.58 1xd4 n SER 484 N -2.82 2.81 -0.84 0.00 2.88 -1.26 -4.91 113.62 109.47 1xd4 n SER 484 Ca 0.06 1.20 0.09 0.00 -1.33 0.00 0.00 58.87 58.89 1xd4 n SER 484 Cb 0.57 -1.49 0.15 0.00 -0.75 0.00 0.00 64.21 62.70 1xd4 n SER 484 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xd4 n ASN 485 N 0.89 2.93 -4.68 -3.46 3.02 -1.26 -4.96 115.26 107.75 1xd4 n ASN 485 Ca 0.05 -1.86 -0.43 0.00 -0.03 0.00 0.00 54.58 52.31 1xd4 n ASN 485 Cb 0.36 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1xd4 n ASN 485 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xd4 n ALA 486 N 1.02 0.99 0.13 5.41 0.00 -1.26 -4.90 120.51 121.90 1xd4 n ALA 486 Ca 0.14 0.37 0.02 0.00 0.00 0.00 0.00 53.44 53.97 1xd4 n ALA 486 Cb 0.48 -2.21 0.36 0.00 0.00 0.00 0.00 19.45 18.07 1xd4 n ALA 486 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xd4 h GLU 487 N 2.58 0.17 -6.11 0.00 5.08 -1.90 -3.46 114.58 110.95 1xd4 h GLU 487 Ca -0.45 -0.05 -0.60 0.00 -1.00 0.00 0.00 59.36 57.27 1xd4 h GLU 487 Cb 1.29 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.40 1xd4 h GLU 487 CO 0.63 0.41 -0.69 0.71 -1.00 0.00 0.00 179.01 179.08 1xd4 s TYR 488 N -4.50 2.45 -0.11 4.33 1.51 -0.93 -0.07 117.35 120.04 1xd4 s TYR 488 Ca -0.05 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1xd4 s TYR 488 Cb 0.15 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1xd4 s TYR 488 CO 0.74 0.61 -0.15 0.50 -1.11 0.00 0.00 175.55 176.14 1xd4 s ARG 489 N -3.61 2.22 0.30 -0.62 6.06 -0.08 0.49 118.95 123.70 1xd4 s ARG 489 Ca 0.32 -0.56 -0.30 0.00 -2.50 0.00 0.00 55.73 52.69 1xd4 s ARG 489 Cb -0.03 -1.89 -0.11 0.00 0.06 0.00 0.00 34.95 32.98 1xd4 s ARG 489 CO 0.17 -0.07 1.54 -1.17 -2.50 0.00 0.00 175.30 173.27 1xd4 s LEU 490 N 0.99 4.35 0.08 -0.88 2.96 -0.03 -0.65 118.68 125.51 1xd4 s LEU 490 Ca -0.06 2.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 1xd4 s LEU 490 Cb -0.15 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1xd4 s LEU 490 CO -0.02 -0.85 0.00 0.29 -1.32 0.00 0.00 176.35 174.45 1xd4 n LYS 491 N 1.93 0.00 -4.47 1.98 4.76 0.45 -4.86 118.16 117.95 1xd4 n LYS 491 Ca 0.07 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 1xd4 n LYS 491 Cb 0.38 -0.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.95 1xd4 n LYS 491 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1xd4 s GLU 492 N -2.00 1.55 -0.36 1.97 8.01 -0.55 -5.00 118.70 122.32 1xd4 s GLU 492 Ca 0.00 -0.35 0.00 0.00 0.01 0.00 0.00 54.97 54.63 1xd4 s GLU 492 Cb 0.00 -1.33 0.10 0.00 -4.31 0.00 0.00 34.13 28.59 1xd4 s GLU 492 CO 0.00 -0.01 0.11 0.21 0.01 0.00 0.00 175.26 175.58 1xd4 s LYS 493 N 0.78 1.82 -0.18 1.61 2.20 -1.26 0.09 119.74 124.80 1xd4 s LYS 493 Ca -0.13 -1.78 -0.08 0.00 -0.36 0.00 0.00 55.97 53.63 1xd4 s LYS 493 Cb -0.15 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1xd4 s LYS 493 CO 0.02 -0.95 0.08 -0.06 -0.36 0.00 0.00 175.35 174.08 1xd4 s PHE 494 N 1.05 3.31 -0.21 4.03 0.08 -0.88 -5.00 117.98 120.37 1xd4 s PHE 494 Ca 0.07 0.17 -0.23 0.00 0.12 0.00 0.00 56.93 57.07 1xd4 s PHE 494 Cb -0.21 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 1xd4 s PHE 494 CO -0.06 0.24 0.75 -0.06 -0.10 0.00 0.00 175.22 175.99 1xd4 s PHE 495 N 0.24 3.36 -0.76 0.36 0.40 -1.26 -1.55 117.98 118.77 1xd4 s PHE 495 Ca 0.05 1.07 -0.26 0.00 -0.60 0.00 0.00 56.93 57.20 1xd4 s PHE 495 Cb -0.12 -2.94 0.02 0.00 0.51 0.00 0.00 43.02 40.49 1xd4 s PHE 495 CO -0.00 -0.27 1.47 -1.64 0.70 0.00 0.00 175.22 175.48 1xd4 s MET 496 N 2.29 3.08 -0.02 0.44 -1.94 -0.87 -4.46 119.30 117.82 1xd4 s MET 496 Ca 0.33 -0.16 0.01 0.00 -1.71 0.00 0.00 55.69 54.15 1xd4 s MET 496 Cb -0.16 -4.43 0.03 0.00 2.01 0.00 0.00 34.83 32.27 1xd4 s MET 496 CO 0.10 -2.36 0.51 0.54 -0.01 0.00 0.00 175.02 173.80 1xd4 n ARG 497 N 9.24 0.09 -4.00 2.03 1.74 -1.26 -4.84 116.66 119.66 1xd4 n ARG 497 Ca 0.13 -0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 56.68 1xd4 n ARG 497 Cb 0.50 0.45 -0.08 0.00 -1.02 0.00 0.00 32.46 32.31 1xd4 n ARG 497 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xd4 s LYS 498 N 0.01 0.94 0.88 5.56 2.36 -1.26 -4.96 119.74 123.26 1xd4 s LYS 498 Ca 0.01 -1.19 -0.13 0.00 -2.55 0.00 0.00 55.97 52.10 1xd4 s LYS 498 Cb 0.03 0.31 0.04 0.00 -1.05 0.00 0.00 37.83 37.15 1xd4 s LYS 498 CO -0.01 -0.30 0.61 0.28 1.55 0.00 0.00 175.35 177.49 1xd4 n VAL 499 N -0.10 0.70 -3.66 4.02 0.31 -1.21 -4.84 118.33 113.55 1xd4 n VAL 499 Ca -0.10 -0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 1xd4 n VAL 499 Cb 0.63 -0.76 -0.18 0.00 -0.91 0.00 0.00 33.84 32.62 1xd4 n VAL 499 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1xd4 s GLN 500 N -3.59 -0.02 -0.01 5.55 -0.44 -1.26 -2.12 119.66 117.78 1xd4 s GLN 500 Ca 0.62 0.26 0.04 0.00 -2.50 0.00 0.00 55.36 53.78 1xd4 s GLN 500 Cb -0.26 -0.82 -0.03 0.00 -1.64 0.00 0.00 33.01 30.26 1xd4 s GLN 500 CO 0.62 -0.40 -0.10 0.42 0.50 0.00 0.00 175.29 176.32 1xd4 s ILE 501 N 2.15 3.38 0.22 -2.34 1.09 0.98 -4.98 121.20 121.69 1xd4 s ILE 501 Ca 0.04 -0.80 -0.21 0.00 -1.10 0.00 0.00 60.65 58.58 1xd4 s ILE 501 Cb -0.13 -2.43 -0.08 0.00 -1.06 0.00 0.00 42.46 38.76 1xd4 s ILE 501 CO -0.04 0.45 0.74 0.21 -0.10 0.00 0.00 174.94 176.20 1xd4 s ASN 502 N -1.21 7.13 -0.02 3.58 3.04 -1.26 0.11 114.94 126.31 1xd4 s ASN 502 Ca 0.15 1.48 0.05 0.00 0.04 0.00 0.00 52.86 54.59 1xd4 s ASN 502 Cb -0.11 -2.44 -0.01 0.00 -1.54 0.00 0.00 41.25 37.15 1xd4 s ASN 502 CO 0.05 0.06 -0.18 -1.81 -3.04 0.00 0.00 177.10 172.18 1xd4 s ASP 503 N -1.55 2.17 0.55 -4.21 1.11 -1.17 -4.79 116.67 108.79 1xd4 s ASP 503 Ca 0.42 -0.34 -0.16 0.00 0.18 0.00 0.00 52.55 52.65 1xd4 s ASP 503 Cb -0.18 -0.35 -0.06 0.00 1.07 0.00 0.00 42.92 43.40 1xd4 s ASP 503 CO 0.22 0.21 1.01 -0.54 1.18 0.00 0.00 175.17 177.25 1xd4 s LYS 504 N -0.29 3.71 0.74 8.23 -0.14 -1.26 -4.34 119.74 126.38 1xd4 s LYS 504 Ca 0.04 1.02 -0.16 0.00 -1.36 0.00 0.00 55.97 55.51 1xd4 s LYS 504 Cb -0.08 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1xd4 s LYS 504 CO 0.00 -0.48 0.98 -0.25 -0.76 0.00 0.00 175.35 174.84 1xd4 n ASP 505 N -1.83 0.48 -3.89 2.83 8.00 -1.26 -4.91 116.55 115.96 1xd4 n ASP 505 Ca 0.07 0.65 -0.13 0.00 0.71 0.00 0.00 54.79 56.09 1xd4 n ASP 505 Cb 0.54 -1.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.08 1xd4 n ASP 505 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xd4 s ASP 506 N -1.70 0.21 0.48 -2.24 -1.08 -0.58 -4.99 116.67 106.77 1xd4 s ASP 506 Ca 0.73 -0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.91 1xd4 s ASP 506 Cb -0.33 -0.03 0.97 0.00 -1.46 0.00 0.00 42.92 42.06 1xd4 s ASP 506 CO 0.51 0.01 1.48 0.74 0.52 0.00 0.00 175.17 178.44 1xd4 h THR 507 N 5.17 0.00 0.00 1.71 2.02 -1.96 -2.10 112.91 117.74 1xd4 h THR 507 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1xd4 h THR 507 Cb 1.20 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1xd4 h THR 507 CO 0.51 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.20 1xd4 n ASN 508 N -2.38 0.17 0.00 4.18 4.05 -1.26 -4.63 115.26 115.39 1xd4 n ASN 508 Ca -0.01 -0.16 0.00 0.00 0.45 0.00 0.00 54.58 54.86 1xd4 n ASN 508 Cb 0.41 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1xd4 n ASN 508 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1xd4 n GLU 509 N 0.75 0.00 -3.18 1.20 1.02 -0.80 -4.92 120.64 114.72 1xd4 n GLU 509 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1xd4 n GLU 509 Cb 0.03 -3.19 -0.07 0.00 -0.02 0.00 0.00 31.44 28.19 1xd4 n GLU 509 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1xd4 s TYR 510 N -1.19 3.29 0.12 -0.32 -0.85 -1.19 -4.99 117.35 112.22 1xd4 s TYR 510 Ca 0.00 0.74 0.05 0.00 -0.52 0.00 0.00 57.07 57.33 1xd4 s TYR 510 Cb 0.00 -2.77 -0.04 0.00 0.38 0.00 0.00 41.96 39.53 1xd4 s TYR 510 CO 0.00 -0.27 -0.11 0.15 -1.52 0.00 0.00 175.55 173.79 1xd4 s LYS 511 N 2.29 0.96 -1.13 -3.49 1.02 -1.26 -1.53 119.74 116.60 1xd4 s LYS 511 Ca 0.24 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 1xd4 s LYS 511 Cb -0.16 -0.66 -0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1xd4 s LYS 511 CO 0.09 0.10 0.95 0.72 -0.92 0.00 0.00 175.35 176.29 1xd4 n HIS 512 N 0.31 -2.16 -4.51 3.18 8.25 -1.26 -4.15 115.22 114.88 1xd4 n HIS 512 Ca -0.14 0.89 -0.26 0.00 -0.26 0.00 0.00 57.72 57.96 1xd4 n HIS 512 Cb 0.58 -4.82 -0.10 0.00 1.12 0.00 0.00 29.99 26.77 1xd4 n HIS 512 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xd4 s ALA 513 N -3.35 2.96 0.08 -1.41 0.00 -1.26 -1.38 121.76 117.40 1xd4 s ALA 513 Ca 0.08 -2.05 -0.17 0.00 0.00 0.00 0.00 51.96 49.82 1xd4 s ALA 513 Cb -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1xd4 s ALA 513 CO 0.71 0.11 0.41 -0.59 0.00 0.00 0.00 175.76 176.39 1xd4 s PHE 514 N -2.58 -0.24 -0.12 0.00 -0.12 -0.96 -3.02 117.98 110.94 1xd4 s PHE 514 Ca 0.32 0.07 -0.00 0.00 -0.05 0.00 0.00 56.93 57.27 1xd4 s PHE 514 Cb 0.01 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 1xd4 s PHE 514 CO 0.17 -0.63 -0.10 -2.00 -0.05 0.00 0.00 175.22 172.60 1xd4 s GLU 515 N -3.09 3.29 -0.17 1.99 2.12 0.29 -1.92 118.70 121.21 1xd4 s GLU 515 Ca -0.01 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.62 1xd4 s GLU 515 Cb 0.00 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 1xd4 s GLU 515 CO -0.07 0.32 0.04 0.42 -0.54 0.00 0.00 175.26 175.43 1xd4 s ILE 516 N 0.10 4.57 -0.25 -3.70 1.01 -0.14 -0.02 121.20 122.78 1xd4 s ILE 516 Ca -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1xd4 s ILE 516 Cb -0.14 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.31 1xd4 s ILE 516 CO 0.04 0.48 -0.05 -0.63 0.00 0.00 0.00 174.94 174.78 1xd4 s ILE 517 N 0.26 2.89 0.28 2.92 1.01 -0.90 -1.92 121.20 125.75 1xd4 s ILE 517 Ca 0.02 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.64 1xd4 s ILE 517 Cb -0.13 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1xd4 s ILE 517 CO 0.01 0.16 0.43 -0.76 0.00 0.00 0.00 174.94 174.78 1xd4 s LEU 518 N 1.32 4.19 0.02 2.97 1.43 -1.26 -3.35 118.68 124.00 1xd4 s LEU 518 Ca -0.00 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 1xd4 s LEU 518 Cb -0.17 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 42.98 1xd4 s LEU 518 CO -0.04 -0.18 1.69 -0.75 0.23 0.00 0.00 176.35 177.30 1xd4 s LYS 519 N -4.11 4.19 -0.19 1.70 2.20 -1.26 -2.84 119.74 119.43 1xd4 s LYS 519 Ca 0.37 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1xd4 s LYS 519 Cb -0.09 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1xd4 s LYS 519 CO 0.31 -0.80 0.00 -3.47 -0.36 0.00 0.00 175.35 171.04 1xd4 n ASP 520 N 6.35 -4.03 -4.85 1.43 -0.08 -1.26 -4.91 116.55 109.18 1xd4 n ASP 520 Ca 0.17 0.05 -0.22 0.00 -1.51 0.00 0.00 54.79 53.27 1xd4 n ASP 520 Cb 0.41 -2.66 -0.04 0.00 2.34 0.00 0.00 41.12 41.18 1xd4 n ASP 520 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1xd4 s GLU 521 N -1.60 2.45 0.16 -0.67 2.02 -1.13 -5.11 118.70 114.83 1xd4 s GLU 521 Ca 0.00 -1.62 -0.22 0.00 0.02 0.00 0.00 54.97 53.14 1xd4 s GLU 521 Cb 0.00 -2.29 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 1xd4 s GLU 521 CO 0.00 -0.21 0.71 -0.80 0.02 0.00 0.00 175.26 174.99 1xd4 s ASN 522 N -4.10 7.23 0.75 -0.19 0.01 -1.26 -4.58 114.94 112.80 1xd4 s ASN 522 Ca 0.46 1.50 -0.15 0.00 -0.71 0.00 0.00 52.86 53.96 1xd4 s ASN 522 Cb -0.02 -2.45 0.05 0.00 0.41 0.00 0.00 41.25 39.25 1xd4 s ASN 522 CO 0.27 0.18 1.23 -0.94 -1.51 0.00 0.00 177.10 176.33 1xd4 s SER 523 N -1.26 3.96 -0.02 -1.22 1.04 -1.26 -4.68 113.70 110.26 1xd4 s SER 523 Ca 0.36 2.45 0.03 0.00 0.48 0.00 0.00 55.95 59.27 1xd4 s SER 523 Cb -0.21 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.31 1xd4 s SER 523 CO 0.23 -2.42 -0.11 -0.69 0.98 0.00 0.00 173.24 171.23 1xd4 s VAL 524 N -1.89 0.90 -0.12 5.02 1.01 -0.81 -5.00 120.40 119.51 1xd4 s VAL 524 Ca 0.76 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1xd4 s VAL 524 Cb -0.32 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1xd4 s VAL 524 CO 0.47 0.27 -0.14 -0.63 0.00 0.00 0.00 175.10 175.06 1xd4 s ILE 525 N 0.03 2.97 0.25 2.22 1.01 -1.26 -0.96 121.20 125.45 1xd4 s ILE 525 Ca -0.01 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.04 1xd4 s ILE 525 Cb -0.08 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1xd4 s ILE 525 CO 0.00 0.53 -0.03 -0.36 0.00 0.00 0.00 174.94 175.09 1xd4 s PHE 526 N 0.28 2.68 -0.03 3.97 0.40 -0.81 -0.43 117.98 124.04 1xd4 s PHE 526 Ca -0.10 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1xd4 s PHE 526 Cb -0.16 -1.21 0.01 0.00 0.51 0.00 0.00 43.02 42.18 1xd4 s PHE 526 CO 0.06 0.61 -0.06 0.45 0.70 0.00 0.00 175.22 176.98 1xd4 s SER 527 N -3.51 0.88 0.33 1.36 0.15 0.87 -2.27 113.70 111.51 1xd4 s SER 527 Ca 0.30 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.89 1xd4 s SER 527 Cb -0.07 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 1xd4 s SER 527 CO 0.19 0.00 0.43 0.00 1.20 0.00 0.00 173.24 175.07 1xd4 s ALA 528 N 0.46 4.16 0.34 5.45 0.00 -0.48 -0.23 121.76 131.47 1xd4 s ALA 528 Ca -0.06 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.48 1xd4 s ALA 528 Cb -0.10 -1.58 0.62 0.00 0.00 0.00 0.00 23.12 22.06 1xd4 s ALA 528 CO 0.00 -0.02 1.82 0.87 0.00 0.00 0.00 175.76 178.43 1xd4 h LYS 529 N 0.97 0.28 -4.27 0.00 1.57 -1.89 -3.45 116.57 109.77 1xd4 h LYS 529 Ca -0.46 -0.09 -0.33 0.00 -1.87 0.00 0.00 60.65 57.91 1xd4 h LYS 529 Cb 1.26 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 1xd4 h LYS 529 CO 0.54 0.50 -0.23 -1.54 -0.57 0.00 0.00 179.45 178.15 1xd4 s SER 530 N -6.86 1.16 0.22 0.86 1.04 -1.26 -5.02 113.70 103.83 1xd4 s SER 530 Ca -0.05 -1.58 0.07 0.00 0.48 0.00 0.00 55.95 54.87 1xd4 s SER 530 Cb 0.15 0.66 0.18 0.00 0.10 0.00 0.00 66.02 67.10 1xd4 s SER 530 CO 0.75 -1.29 1.50 0.00 0.98 0.00 0.00 173.24 175.19 1xd4 h ALA 531 N 2.08 0.77 -0.47 5.32 0.00 -1.95 -2.05 119.26 122.96 1xd4 h ALA 531 Ca -0.27 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 1xd4 h ALA 531 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1xd4 h ALA 531 CO 0.38 0.86 0.02 1.49 0.00 0.00 0.00 179.25 182.00 1xd4 h GLU 532 N 0.06 0.81 -0.30 0.00 4.81 -1.99 -0.25 114.58 117.72 1xd4 h GLU 532 Ca -0.02 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 1xd4 h GLU 532 Cb 1.28 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1xd4 h GLU 532 CO 0.10 0.85 0.01 0.93 -0.73 0.00 0.00 179.01 180.18 1xd4 h GLU 533 N 0.67 0.53 -0.78 1.92 5.08 -1.94 -2.11 114.58 117.94 1xd4 h GLU 533 Ca 0.13 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1xd4 h GLU 533 Cb 0.48 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1xd4 h GLU 533 CO 0.02 0.66 0.52 -0.22 -1.00 0.00 0.00 179.01 178.99 1xd4 h LYS 534 N 0.33 0.96 -0.43 2.33 3.64 -1.21 -2.03 116.57 120.17 1xd4 h LYS 534 Ca 0.09 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1xd4 h LYS 534 Cb 0.42 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1xd4 h LYS 534 CO 0.01 0.64 0.17 -0.91 -2.27 0.00 0.00 179.45 177.09 1xd4 h ASN 535 N 0.99 0.60 -0.76 4.20 2.35 -0.68 -1.15 115.58 121.14 1xd4 h ASN 535 Ca 0.30 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1xd4 h ASN 535 Cb -0.01 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1xd4 h ASN 535 CO -0.08 0.61 0.48 0.78 -1.65 0.00 0.00 177.43 177.56 1xd4 h ASN 536 N 0.55 0.90 -0.28 5.81 2.35 -0.82 -0.20 115.58 123.89 1xd4 h ASN 536 Ca 0.14 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 1xd4 h ASN 536 Cb 0.20 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1xd4 h ASN 536 CO -0.01 0.68 -0.10 -0.50 -1.65 0.00 0.00 177.43 175.85 1xd4 h TRP 537 N 1.03 0.63 -0.41 1.19 4.06 -1.18 -2.41 115.95 118.86 1xd4 h TRP 537 Ca 0.27 -0.15 -0.07 0.00 2.06 0.00 0.00 58.89 61.01 1xd4 h TRP 537 Cb -0.07 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 27.92 1xd4 h TRP 537 CO -0.01 0.78 -0.03 0.52 -3.56 0.00 0.00 178.44 176.13 1xd4 h MET 538 N 0.30 0.67 0.19 0.49 2.86 -1.08 0.37 114.93 118.74 1xd4 h MET 538 Ca 0.07 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1xd4 h MET 538 Cb 0.59 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1xd4 h MET 538 CO 0.03 0.71 -0.13 0.00 1.06 0.00 0.00 176.91 178.58 1xd4 h ALA 539 N 1.34 -0.30 -0.29 6.32 0.00 -0.93 0.26 119.26 125.65 1xd4 h ALA 539 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1xd4 h ALA 539 Cb 0.44 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xd4 h ALA 539 CO 0.02 -0.68 -0.19 0.00 0.00 0.00 0.00 179.25 178.39 1xd4 h ALA 540 N 0.48 0.42 -0.26 0.00 0.00 -1.21 0.22 119.26 118.91 1xd4 h ALA 540 Ca -0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1xd4 h ALA 540 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xd4 h ALA 540 CO 0.01 0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 179.50 1xd4 h LEU 541 N 0.40 0.49 -0.08 0.00 3.38 -0.17 0.62 115.31 119.95 1xd4 h LEU 541 Ca 0.06 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1xd4 h LEU 541 Cb 0.74 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xd4 h LEU 541 CO 0.05 0.73 -0.12 0.40 0.09 0.00 0.00 178.44 179.59 1xd4 h ILE 542 N 0.24 1.39 -0.84 1.22 1.08 -0.57 -1.68 117.51 118.35 1xd4 h ILE 542 Ca 0.07 -1.37 0.14 0.00 -0.39 0.00 0.00 64.86 63.31 1xd4 h ILE 542 Cb 0.51 2.12 -0.09 0.00 -3.07 0.00 0.00 36.82 36.28 1xd4 h ILE 542 CO 0.02 0.38 0.44 -1.28 -0.69 0.00 0.00 178.15 177.03 1xd4 h SER 543 N -0.24 0.55 0.96 1.72 0.87 -0.51 0.42 113.55 117.31 1xd4 h SER 543 Ca 0.01 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1xd4 h SER 543 Cb 0.68 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1xd4 h SER 543 CO 0.03 0.24 0.00 0.25 -0.53 0.00 0.00 176.83 176.82 1xd4 h LEU 544 N 0.65 0.00 0.01 2.23 7.12 0.36 -1.40 115.31 124.27 1xd4 h LEU 544 Ca 0.45 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 58.22 1xd4 h LEU 544 Cb 0.61 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 1xd4 h LEU 544 CO -0.35 0.00 -1.32 -0.61 -0.13 0.00 0.00 178.44 176.03 1xd4 h GLN 545 N 0.00 0.02 -0.54 1.25 4.15 0.71 -3.39 115.11 117.31 1xd4 h GLN 545 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1xd4 h GLN 545 Cb 0.48 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1xd4 h GLN 545 CO 0.00 1.02 0.00 0.66 -1.93 0.00 0.00 178.83 178.58 1xd4 n TYR 546 N -4.36 1.82 0.08 3.99 4.02 -0.04 -4.49 117.16 118.18 1xd4 n TYR 546 Ca -0.32 -0.73 0.05 0.00 -0.01 0.00 0.00 57.90 56.88 1xd4 n TYR 546 Cb 0.71 -0.44 0.26 0.00 -0.02 0.00 0.00 39.34 39.85 1xd4 n TYR 546 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1xd4 n ARG 547 N 0.53 0.06 -0.10 -0.72 1.85 -0.53 -1.68 116.66 116.07 1xd4 n ARG 547 Ca 0.26 0.56 -0.21 0.00 -1.00 0.00 0.00 57.85 57.46 1xd4 n ARG 547 Cb 1.11 -1.70 -0.07 0.00 -1.05 0.00 0.00 32.46 30.75 1xd4 n ARG 547 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1xd4 n SER 548 N -1.83 1.63 -0.35 2.89 3.41 -1.26 -4.17 113.62 113.94 1xd4 n SER 548 Ca -0.01 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1xd4 n SER 548 Cb 0.02 -0.66 0.31 0.00 -0.26 0.00 0.00 64.21 63.62 1xd4 n SER 548 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1xd4 h THR 549 N -0.81 0.69 -0.11 6.66 2.02 -1.79 0.37 112.91 119.94 1xd4 h THR 549 Ca -0.45 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.35 1xd4 h THR 549 Cb 1.35 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1xd4 h THR 549 CO -0.27 0.13 -0.49 -0.07 0.37 0.00 0.00 175.52 175.19 1xd4 h LEU 550 N 0.73 0.31 -0.47 2.58 3.38 -1.57 0.75 115.31 121.02 1xd4 h LEU 550 Ca 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1xd4 h LEU 550 Cb 0.90 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1xd4 h LEU 550 CO -0.39 0.75 0.24 -0.33 0.09 0.00 0.00 178.44 178.80 1xd4 h GLU 551 N 0.23 0.67 0.17 1.13 5.08 -0.58 -1.82 114.58 119.47 1xd4 h GLU 551 Ca 0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xd4 h GLU 551 Cb 0.95 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1xd4 h GLU 551 CO 0.08 0.55 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.23 1xd4 h ARG 552 N 0.62 -0.51 -0.83 2.33 9.65 -0.07 0.22 114.38 125.78 1xd4 h ARG 552 Ca 0.16 0.03 0.17 0.00 -1.10 0.00 0.00 59.98 59.24 1xd4 h ARG 552 Cb 0.10 0.12 -0.16 0.00 -1.39 0.00 0.00 29.97 28.64 1xd4 h ARG 552 CO -0.02 -0.34 -0.21 -1.33 2.80 0.00 0.00 179.97 180.87 1xd4 n MET 553 N -4.28 -0.08 0.00 0.20 2.81 0.20 -0.93 117.12 115.03 1xd4 n MET 553 Ca -0.06 1.29 0.00 0.00 -1.81 0.00 0.00 57.70 57.12 1xd4 n MET 553 Cb 0.27 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 1xd4 n MET 553 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1xd4 n LEU 554 N -5.35 0.01 -0.31 4.03 7.94 -0.69 -3.03 117.00 119.60 1xd4 n LEU 554 Ca 0.13 0.93 -0.07 0.00 -1.11 0.00 0.00 56.01 55.89 1xd4 n LEU 554 Cb 0.41 -0.46 -0.06 0.00 0.53 0.00 0.00 43.42 43.84 1xd4 n LEU 554 CO -0.10 -0.46 0.36 0.47 -1.11 0.00 0.00 177.39 176.55 1xd4 n ASP 555 N -1.89 -0.74 -0.30 1.96 8.00 0.69 0.71 116.55 124.98 1xd4 n ASP 555 Ca 0.00 1.31 0.13 0.00 0.71 0.00 0.00 54.79 56.94 1xd4 n ASP 555 Cb 0.00 -0.19 0.30 0.00 -0.02 0.00 0.00 41.12 41.22 1xd4 n ASP 555 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xd4 h VAL 556 N 0.00 0.40 0.00 2.53 2.07 -1.12 0.94 116.25 121.06 1xd4 h VAL 556 Ca 0.14 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.31 1xd4 h VAL 556 Cb 0.32 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1xd4 h VAL 556 CO -0.70 0.06 -0.97 0.74 0.02 0.00 0.00 177.57 176.71 1xd4 h THR 557 N 0.30 1.36 -0.88 2.57 2.02 0.38 -3.16 112.91 115.50 1xd4 h THR 557 Ca 0.56 -2.38 0.17 0.00 0.77 0.00 0.00 66.41 65.52 1xd4 h THR 557 Cb 1.11 2.41 -0.07 0.00 -1.74 0.00 0.00 68.15 69.85 1xd4 h THR 557 CO -0.59 0.72 0.57 0.24 0.37 0.00 0.00 175.52 176.84 1xd4 h MET 558 N 0.28 0.55 0.41 6.66 2.07 0.18 0.94 114.93 126.02 1xd4 h MET 558 Ca -0.10 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.48 1xd4 h MET 558 Cb 1.62 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 31.23 1xd4 h MET 558 CO 0.18 0.36 -0.20 -0.07 1.07 0.00 0.00 176.91 178.26 1xd4 h LEU 559 N 0.57 -0.46 -0.94 1.22 3.38 -1.37 -2.61 115.31 115.10 1xd4 h LEU 559 Ca 0.45 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.66 1xd4 h LEU 559 Cb 0.89 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 1xd4 h LEU 559 CO -0.20 -0.10 0.50 -0.61 0.09 0.00 0.00 178.44 178.12 1xd4 h GLN 560 N -1.00 0.51 -0.81 1.13 -0.00 -1.44 0.69 115.11 114.19 1xd4 h GLN 560 Ca -0.06 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1xd4 h GLN 560 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 27.74 1xd4 h GLN 560 CO 0.09 0.34 0.53 0.93 0.00 0.00 0.00 178.83 180.72 1xd4 h GLU 561 N 0.53 1.07 -0.62 1.69 4.39 -0.88 -1.36 114.58 119.40 1xd4 h GLU 561 Ca 0.59 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1xd4 h GLU 561 Cb 1.07 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1xd4 h GLU 561 CO -0.48 0.71 0.00 -1.91 -1.16 0.00 0.00 179.01 176.18 1xd4 n GLU 562 N -4.51 2.86 -0.01 2.33 2.13 0.20 -4.03 120.64 119.60 1xd4 n GLU 562 Ca 0.08 -1.85 0.04 0.00 0.66 0.00 0.00 57.16 56.10 1xd4 n GLU 562 Cb 0.02 -1.71 -0.09 0.00 0.27 0.00 0.00 31.44 29.93 1xd4 n GLU 562 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xd4 n LYS 563 N 0.60 0.60 0.01 5.31 5.02 0.12 -4.54 118.16 125.29 1xd4 n LYS 563 Ca 0.17 -0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 1xd4 n LYS 563 Cb 0.65 -1.27 0.19 0.00 -0.02 0.00 0.00 35.03 34.58 1xd4 n LYS 563 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xd4 n GLU 564 N -1.97 0.06 -2.33 1.97 1.02 -1.14 -4.87 120.64 113.39 1xd4 n GLU 564 Ca -0.04 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1xd4 n GLU 564 Cb 0.37 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1xd4 n GLU 564 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xd4 s GLU 565 N -3.04 3.83 -0.23 3.49 2.02 -1.26 -5.00 118.70 118.51 1xd4 s GLU 565 Ca 0.10 1.32 -0.07 0.00 0.02 0.00 0.00 54.97 56.33 1xd4 s GLU 565 Cb 0.17 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 1xd4 s GLU 565 CO 0.72 -1.23 0.06 -0.65 0.02 0.00 0.00 175.26 174.18 1xd4 s GLN 566 N 4.42 3.70 0.00 1.61 -0.21 -1.26 -5.07 119.66 122.84 1xd4 s GLN 566 Ca 0.61 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.53 1xd4 s GLN 566 Cb -0.18 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1xd4 s GLN 566 CO 0.26 -0.10 0.00 -1.33 -2.12 0.00 0.00 175.29 172.00 1xd4 n MET 567 N 4.63 0.00 -1.13 2.91 2.81 -1.26 -4.97 117.12 120.12 1xd4 n MET 567 Ca -0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 1xd4 n MET 567 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 1xd4 n MET 567 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1xd4 n ARG 568 N 0.00 0.00 -0.70 0.03 0.63 -1.26 -5.05 116.66 110.31 1xd4 n ARG 568 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1xd4 n ARG 568 Cb 0.00 -1.37 0.19 0.00 0.45 0.00 0.00 32.46 31.73 1xd4 n ARG 568 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xd4 s LEU 569 N -1.30 2.28 0.84 6.15 1.43 -1.26 -4.96 118.68 121.86 1xd4 s LEU 569 Ca 0.00 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1xd4 s LEU 569 Cb 0.00 -4.23 0.07 0.00 0.03 0.00 0.00 46.19 42.06 1xd4 s LEU 569 CO 0.00 -3.34 0.96 -2.65 0.23 0.00 0.00 176.35 171.54 1xd4 n PRO 570 N -4.38 -0.01 -1.97 1.29 -0.02 -1.26 -4.90 135.00 123.75 1xd4 n PRO 570 Ca 0.09 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1xd4 n PRO 570 Cb 0.53 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1xd4 n PRO 570 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xd4 s SER 571 N -2.11 6.59 0.10 2.55 0.15 -1.26 -4.82 113.70 114.90 1xd4 s SER 571 Ca 0.68 2.76 0.13 0.00 0.70 0.00 0.00 55.95 60.22 1xd4 s SER 571 Cb -0.27 -2.64 0.58 0.00 -1.71 0.00 0.00 66.02 61.98 1xd4 s SER 571 CO 0.56 -0.73 1.39 0.00 1.20 0.00 0.00 173.24 175.67 1xd4 n ALA 572 N 1.80 1.34 0.73 5.45 0.00 -1.26 -1.75 120.51 126.82 1xd4 n ALA 572 Ca 0.05 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1xd4 n ALA 572 Cb 0.40 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 18.92 1xd4 n ALA 572 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xd4 n ASP 573 N -1.76 0.58 -0.00 0.00 8.00 -1.26 -4.00 116.55 118.11 1xd4 n ASP 573 Ca 0.01 0.13 0.01 0.00 0.71 0.00 0.00 54.79 55.65 1xd4 n ASP 573 Cb 0.10 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1xd4 n ASP 573 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1xd4 n VAL 574 N -1.91 0.00 -3.49 2.53 0.24 -0.72 -4.94 118.33 110.05 1xd4 n VAL 574 Ca 0.05 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.34 61.78 1xd4 n VAL 574 Cb 0.40 0.87 -0.13 0.00 -1.47 0.00 0.00 33.84 33.51 1xd4 n VAL 574 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xd4 s TYR 575 N -1.38 -0.17 0.63 6.34 5.04 -0.73 -4.94 117.35 122.13 1xd4 s TYR 575 Ca 0.00 -0.16 0.36 0.00 -2.44 0.00 0.00 57.07 54.84 1xd4 s TYR 575 Cb 0.01 -0.53 2.06 0.00 0.35 0.00 0.00 41.96 43.85 1xd4 s TYR 575 CO 0.06 -0.73 2.28 0.00 -1.34 0.00 0.00 175.55 175.82 1xd4 h ARG 576 N 8.33 0.00 -0.14 4.97 3.08 -1.86 -2.38 114.38 126.39 1xd4 h ARG 576 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1xd4 h ARG 576 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1xd4 h ARG 576 CO 0.33 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.42 1xd4 n PHE 577 N -3.49 0.17 0.53 3.04 3.01 -1.26 -3.77 117.46 115.70 1xd4 n PHE 577 Ca -0.03 -0.09 0.11 0.00 1.01 0.00 0.00 57.45 58.46 1xd4 n PHE 577 Cb 0.11 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1xd4 n PHE 577 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xd4 n ALA 578 N -0.12 3.31 -1.18 4.37 0.00 -0.89 -4.99 120.51 121.01 1xd4 n ALA 578 Ca 0.04 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1xd4 n ALA 578 Cb 0.11 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.64 1xd4 n ALA 578 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xd4 n GLU 579 N -2.01 0.16 -1.91 0.00 -0.58 -1.25 -4.84 120.64 110.20 1xd4 n GLU 579 Ca 0.02 0.08 -0.34 0.00 -0.42 0.00 0.00 57.16 56.50 1xd4 n GLU 579 Cb 0.45 -1.58 0.03 0.00 -0.57 0.00 0.00 31.44 29.77 1xd4 n GLU 579 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1xd4 s PRO 580 N -2.46 2.95 0.01 3.49 0.02 -1.26 -5.02 135.00 132.73 1xd4 s PRO 580 Ca 0.60 1.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 1xd4 s PRO 580 Cb -0.34 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1xd4 s PRO 580 CO 0.64 -1.15 1.11 -0.51 -0.33 0.00 0.00 177.00 176.75 1xd4 s ASP 581 N -2.24 7.19 0.12 2.53 1.01 -1.26 -5.03 116.67 118.99 1xd4 s ASP 581 Ca 0.70 1.82 -0.19 0.00 0.71 0.00 0.00 52.55 55.59 1xd4 s ASP 581 Cb -0.23 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.18 1xd4 s ASP 581 CO 0.37 -0.41 0.47 -0.94 0.21 0.00 0.00 175.17 174.86 1xd4 s SER 582 N 1.11 -0.35 -0.52 0.27 1.04 -1.26 -5.03 113.70 108.96 1xd4 s SER 582 Ca 0.55 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.78 1xd4 s SER 582 Cb -0.25 0.50 -0.13 0.00 0.10 0.00 0.00 66.02 66.25 1xd4 s SER 582 CO 0.27 -0.85 2.49 -0.62 0.98 0.00 0.00 173.24 175.51 1xd4 n GLU 583 N -0.12 1.90 0.00 4.02 4.71 -1.26 -2.55 120.64 127.34 1xd4 n GLU 583 Ca -0.17 -1.14 0.00 0.00 -0.01 0.00 0.00 57.16 55.85 1xd4 n GLU 583 Cb 0.63 -2.17 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1xd4 n GLU 583 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1xd4 n GLU 584 N 3.31 0.91 0.00 3.49 2.13 -1.26 -3.17 120.64 126.05 1xd4 n GLU 584 Ca 0.41 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1xd4 n GLU 584 Cb 0.40 -0.07 0.00 0.00 0.27 0.00 0.00 31.44 32.04 1xd4 n GLU 584 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1xd4 n ASN 585 N -0.09 0.00 -3.65 4.31 2.04 -1.06 -4.60 115.26 112.21 1xd4 n ASN 585 Ca 0.00 -1.00 -0.01 0.00 -0.44 0.00 0.00 54.58 53.13 1xd4 n ASN 585 Cb 0.00 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.19 1xd4 n ASN 585 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 1xd4 s ILE 586 N 0.00 0.00 -0.32 1.53 2.07 -1.22 0.23 121.20 123.50 1xd4 s ILE 586 Ca 0.00 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1xd4 s ILE 586 Cb 0.00 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.66 1xd4 s ILE 586 CO 0.00 0.00 0.02 -0.63 -1.91 0.00 0.00 174.94 172.42 1xd4 s ILE 587 N 1.14 2.75 0.76 2.00 1.09 1.07 -4.27 121.20 125.74 1xd4 s ILE 587 Ca -0.08 -1.71 -0.11 0.00 -1.10 0.00 0.00 60.65 57.66 1xd4 s ILE 587 Cb -0.03 -2.71 0.05 0.00 -1.06 0.00 0.00 42.46 38.70 1xd4 s ILE 587 CO -0.13 -0.27 1.09 -0.36 -0.10 0.00 0.00 174.94 175.17 1xd4 s PHE 588 N 1.14 2.62 -0.09 3.97 0.08 -1.26 0.37 117.98 124.82 1xd4 s PHE 588 Ca -0.01 1.54 -0.23 0.00 0.12 0.00 0.00 56.93 58.35 1xd4 s PHE 588 Cb -0.20 -3.04 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1xd4 s PHE 588 CO -0.04 -1.75 0.69 -2.00 -0.10 0.00 0.00 175.22 172.03 1xd4 s GLU 589 N -4.90 4.40 -0.54 0.44 2.56 0.45 -4.44 118.70 116.68 1xd4 s GLU 589 Ca 0.61 0.84 -0.28 0.00 0.00 0.00 0.00 54.97 56.15 1xd4 s GLU 589 Cb -0.17 -3.47 -0.28 0.00 2.00 0.00 0.00 34.13 32.22 1xd4 s GLU 589 CO 0.56 0.02 1.82 0.39 -0.56 0.00 0.00 175.26 177.49 1xd4 n GLU 590 N 3.97 0.43 0.00 4.30 4.71 -1.26 -4.72 120.64 128.08 1xd4 n GLU 590 Ca -0.01 -1.48 0.00 0.00 -0.01 0.00 0.00 57.16 55.66 1xd4 n GLU 590 Cb 0.51 -3.09 0.00 0.00 -1.01 0.00 0.00 31.44 27.86 1xd4 n GLU 590 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xd4 n GLY 597 N 5.31 0.58 3.75 0.62 0.00 -1.26 -5.08 105.19 109.11 1xd4 n GLY 597 Ca 0.46 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1xd4 n GLY 597 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xd4 s ILE 598 N 0.00 2.87 0.54 -0.61 -4.36 -1.26 -4.99 121.20 113.40 1xd4 s ILE 598 Ca 0.00 0.40 -0.21 0.00 -0.26 0.00 0.00 60.65 60.58 1xd4 s ILE 598 Cb 0.00 -2.91 -0.05 0.00 1.25 0.00 0.00 42.46 40.76 1xd4 s ILE 598 CO 0.00 -0.26 1.27 -2.84 0.24 0.00 0.00 174.94 173.35 1xd4 s PRO 599 N -4.11 3.22 -0.16 0.37 0.02 -1.26 -5.01 135.00 128.06 1xd4 s PRO 599 Ca 0.69 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.73 1xd4 s PRO 599 Cb -0.23 -2.19 0.02 0.00 0.02 0.00 0.00 34.50 32.12 1xd4 s PRO 599 CO 0.44 -1.06 -0.19 0.42 -0.33 0.00 0.00 177.00 176.29 1xd4 s ILE 600 N -1.44 1.92 -0.08 2.83 1.01 -1.26 -5.02 121.20 119.16 1xd4 s ILE 600 Ca 0.72 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1xd4 s ILE 600 Cb -0.35 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1xd4 s ILE 600 CO 0.40 0.52 1.10 -0.63 0.00 0.00 0.00 174.94 176.33 1xd4 s ILE 601 N 1.24 4.53 -0.18 2.92 1.09 -1.26 0.17 121.20 129.71 1xd4 s ILE 601 Ca 0.02 1.82 -0.18 0.00 -1.10 0.00 0.00 60.65 61.21 1xd4 s ILE 601 Cb -0.13 -4.17 -0.21 0.00 -1.06 0.00 0.00 42.46 36.88 1xd4 s ILE 601 CO -0.10 0.01 0.28 0.50 -0.10 0.00 0.00 174.94 175.53 1xd4 h LYS 602 N 7.24 0.07 -3.37 2.79 3.64 0.64 -3.43 116.57 124.15 1xd4 h LYS 602 Ca -0.33 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1xd4 h LYS 602 Cb 1.16 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.91 1xd4 h LYS 602 CO 0.86 1.06 -0.01 0.00 -2.27 0.00 0.00 179.45 179.08 1xd4 s ALA 603 N -2.41 -0.86 0.00 5.00 0.00 -0.36 -3.50 121.76 119.63 1xd4 s ALA 603 Ca -0.27 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1xd4 s ALA 603 Cb 0.06 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1xd4 s ALA 603 CO 0.64 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1xd4 n GLY 604 N -0.31 0.58 3.84 0.00 0.00 -1.23 0.35 105.19 108.41 1xd4 n GLY 604 Ca -0.11 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1xd4 n GLY 604 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xd4 s THR 605 N -2.00 3.79 0.24 2.61 -4.23 0.14 -1.84 115.64 114.35 1xd4 s THR 605 Ca 0.00 0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1xd4 s THR 605 Cb 0.00 -3.42 0.23 0.00 1.34 0.00 0.00 72.50 70.65 1xd4 s THR 605 CO 0.00 -0.76 1.87 0.58 -0.54 0.00 0.00 174.62 175.77 1xd4 h VAL 606 N -0.74 1.09 -0.32 2.29 2.07 -1.94 -0.50 116.25 118.21 1xd4 h VAL 606 Ca -0.45 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1xd4 h VAL 606 Cb 1.23 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1xd4 h VAL 606 CO 0.60 0.19 0.13 0.40 0.02 0.00 0.00 177.57 178.91 1xd4 h ILE 607 N 1.07 0.95 -0.24 4.57 1.08 -1.94 -1.35 117.51 121.64 1xd4 h ILE 607 Ca 0.38 -0.10 -0.11 0.00 -0.39 0.00 0.00 64.86 64.64 1xd4 h ILE 607 Cb 0.11 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 1xd4 h ILE 607 CO -0.15 0.05 -0.31 0.11 -0.69 0.00 0.00 178.15 177.16 1xd4 h LYS 608 N 0.28 0.50 -0.68 2.37 6.56 -1.65 -1.86 116.57 122.09 1xd4 h LYS 608 Ca 0.14 -0.22 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1xd4 h LYS 608 Cb 0.08 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 1xd4 h LYS 608 CO -0.12 0.76 0.38 -0.07 -2.06 0.00 0.00 179.45 178.34 1xd4 h LEU 609 N 0.43 0.85 -0.66 2.94 4.07 -0.78 -1.23 115.31 120.93 1xd4 h LEU 609 Ca 0.05 -0.09 -0.14 0.00 0.08 0.00 0.00 57.88 57.78 1xd4 h LEU 609 Cb 0.76 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1xd4 h LEU 609 CO 0.06 0.69 -0.57 0.40 -1.08 0.00 0.00 178.44 177.95 1xd4 h ILE 610 N 0.94 1.36 -0.32 1.22 2.04 -1.02 0.59 117.51 122.32 1xd4 h ILE 610 Ca 0.24 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1xd4 h ILE 610 Cb 0.03 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1xd4 h ILE 610 CO -0.04 0.56 0.13 -0.08 0.00 0.00 0.00 178.15 178.72 1xd4 h GLU 611 N 0.23 0.47 -0.11 2.37 4.81 -1.02 -2.55 114.58 118.78 1xd4 h GLU 611 Ca 0.00 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1xd4 h GLU 611 Cb 1.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1xd4 h GLU 611 CO 0.09 0.47 -0.46 0.00 -0.73 0.00 0.00 179.01 178.39 1xd4 h ARG 612 N 0.36 0.28 -0.08 1.92 2.47 -1.01 -0.55 114.38 117.77 1xd4 h ARG 612 Ca 0.11 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1xd4 h ARG 612 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1xd4 h ARG 612 CO -0.01 0.68 0.07 1.25 0.56 0.00 0.00 179.97 182.53 1xd4 h LEU 613 N 0.23 0.00 -4.30 3.04 5.85 -0.58 -2.66 115.31 116.89 1xd4 h LEU 613 Ca 0.02 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.39 1xd4 h LEU 613 Cb 0.90 0.00 -0.37 0.00 0.37 0.00 0.00 40.66 41.55 1xd4 h LEU 613 CO 0.07 0.00 -0.93 0.35 -0.34 0.00 0.00 178.44 177.59 1xd4 n THR 614 N -4.04 1.76 -1.89 1.05 -2.24 -0.90 -4.86 114.28 103.16 1xd4 n THR 614 Ca -0.01 -3.31 -0.37 0.00 -2.27 0.00 0.00 64.05 58.09 1xd4 n THR 614 Cb 0.18 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1xd4 n THR 614 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xd4 s TYR 615 N -3.33 2.33 -0.25 4.78 5.04 -0.27 -4.58 117.35 121.08 1xd4 s TYR 615 Ca 0.39 1.46 0.23 0.00 -2.44 0.00 0.00 57.07 56.70 1xd4 s TYR 615 Cb 0.37 -3.63 0.02 0.00 0.35 0.00 0.00 41.96 39.07 1xd4 s TYR 615 CO -0.02 -2.55 1.08 1.12 -1.34 0.00 0.00 175.55 173.84 1xd4 h HIS 616 N 1.12 0.00 0.02 4.97 2.07 -1.90 -3.41 115.15 118.02 1xd4 h HIS 616 Ca -0.51 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 56.95 1xd4 h HIS 616 Cb 1.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.29 1xd4 h HIS 616 CO 0.46 0.00 -0.25 0.52 -3.07 0.00 0.00 177.93 175.59 1xd4 h MET 617 N 0.00 0.14 -4.95 5.12 2.86 -1.93 -3.48 114.93 112.69 1xd4 h MET 617 Ca -0.00 -0.17 -0.46 0.00 -2.06 0.00 0.00 59.70 57.01 1xd4 h MET 617 Cb 1.00 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.58 1xd4 h MET 617 CO 0.00 0.97 -0.55 1.52 1.06 0.00 0.00 176.91 179.92 1xd4 s TYR 618 N -2.81 1.69 0.19 -0.22 -0.85 -1.26 -5.17 117.35 108.92 1xd4 s TYR 618 Ca -0.16 -1.33 0.07 0.00 -0.52 0.00 0.00 57.07 55.13 1xd4 s TYR 618 Cb -0.00 -0.96 -0.04 0.00 0.38 0.00 0.00 41.96 41.34 1xd4 s TYR 618 CO 0.74 -0.44 0.02 0.00 -1.52 0.00 0.00 175.55 174.35 1xd4 s ALA 619 N -3.47 3.26 -0.41 9.51 0.00 -1.26 -4.77 121.76 124.61 1xd4 s ALA 619 Ca 0.33 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1xd4 s ALA 619 Cb 0.04 -1.03 0.24 0.00 0.00 0.00 0.00 23.12 22.38 1xd4 s ALA 619 CO 0.17 0.45 1.03 -3.47 0.00 0.00 0.00 175.76 173.94 1xd4 n ASP 620 N -0.28 -2.18 0.18 0.00 2.03 -1.26 -5.00 116.55 110.03 1xd4 n ASP 620 Ca -0.09 -2.39 0.11 0.00 0.52 0.00 0.00 54.79 52.94 1xd4 n ASP 620 Cb 0.56 1.26 0.60 0.00 -0.72 0.00 0.00 41.12 42.82 1xd4 n ASP 620 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xd4 h PRO 621 N 3.82 0.00 -0.12 -0.67 0.11 -1.98 0.92 132.00 134.09 1xd4 h PRO 621 Ca -0.14 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 1xd4 h PRO 621 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xd4 h PRO 621 CO 0.04 0.00 -0.39 -0.97 -0.21 0.00 0.00 178.00 176.47 1xd4 h ASN 622 N 0.00 0.27 -0.33 -2.05 -1.24 -2.01 -3.12 115.58 107.09 1xd4 h ASN 622 Ca 0.00 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 1xd4 h ASN 622 Cb 0.13 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1xd4 h ASN 622 CO 0.00 0.64 -0.04 0.15 -1.29 0.00 0.00 177.43 176.89 1xd4 h PHE 623 N 0.22 0.68 -0.28 0.67 3.57 -1.23 -2.58 116.94 117.98 1xd4 h PHE 623 Ca 0.02 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.41 1xd4 h PHE 623 Cb 0.80 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1xd4 h PHE 623 CO 0.01 0.76 0.13 0.28 -2.23 0.00 0.00 178.31 177.26 1xd4 h VAL 624 N 0.40 0.97 0.09 1.41 2.07 -1.60 -0.23 116.25 119.36 1xd4 h VAL 624 Ca 0.09 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xd4 h VAL 624 Cb 0.51 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1xd4 h VAL 624 CO 0.02 0.05 -0.04 -0.09 0.02 0.00 0.00 177.57 177.53 1xd4 h ARG 625 N 0.27 -0.11 -0.38 1.57 2.43 -1.56 0.10 114.38 116.70 1xd4 h ARG 625 Ca 0.12 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1xd4 h ARG 625 Cb 0.05 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1xd4 h ARG 625 CO -0.09 0.04 -0.14 1.15 -1.51 0.00 0.00 179.97 179.41 1xd4 h THR 626 N -0.24 0.52 0.31 0.20 2.02 -1.30 -0.22 112.91 114.20 1xd4 h THR 626 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1xd4 h THR 626 Cb 0.20 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xd4 h THR 626 CO 0.02 0.00 -0.15 0.15 0.37 0.00 0.00 175.52 175.91 1xd4 h PHE 627 N -0.07 -0.38 0.00 3.16 3.04 -0.90 -1.75 116.94 120.04 1xd4 h PHE 627 Ca 0.19 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 1xd4 h PHE 627 Cb 0.36 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 1xd4 h PHE 627 CO -0.38 -0.14 -0.02 -0.07 -2.02 0.00 0.00 178.31 175.68 1xd4 h LEU 628 N -0.57 0.00 0.02 0.59 3.38 -0.75 0.16 115.31 118.13 1xd4 h LEU 628 Ca -0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.68 1xd4 h LEU 628 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1xd4 h LEU 628 CO 0.07 0.02 -1.28 0.74 0.09 0.00 0.00 178.44 178.08 1xd4 h THR 629 N 0.00 1.39 -0.00 0.22 2.02 -0.84 -3.41 112.91 112.29 1xd4 h THR 629 Ca -0.00 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 64.05 1xd4 h THR 629 Cb 0.04 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1xd4 h THR 629 CO 0.00 0.81 -0.07 0.35 0.37 0.00 0.00 175.52 176.98 1xd4 n THR 630 N -3.27 0.00 0.21 3.16 -2.24 -0.68 -4.79 114.28 106.67 1xd4 n THR 630 Ca -0.07 -0.47 0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1xd4 n THR 630 Cb 0.99 1.01 0.79 0.00 -2.10 0.00 0.00 70.33 71.02 1xd4 n THR 630 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1xd4 h TYR 631 N 0.12 0.00 0.00 4.78 -0.00 -0.94 -3.17 116.97 117.76 1xd4 h TYR 631 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1xd4 h TYR 631 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.79 1xd4 h TYR 631 CO 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 178.16 178.29 1xd4 h ARG 632 N 0.00 0.00 0.00 0.10 3.08 -1.85 0.30 114.38 116.01 1xd4 h ARG 632 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1xd4 h ARG 632 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1xd4 h ARG 632 CO -0.00 0.00 -0.48 0.66 -1.07 0.00 0.00 179.97 179.08 1xd4 h SER 633 N 0.00 0.00 0.00 7.04 4.64 -1.96 -3.36 113.55 119.91 1xd4 h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xd4 h SER 633 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xd4 h SER 633 CO 0.00 0.44 0.00 2.22 -0.87 0.00 0.00 176.83 178.62 1xd4 n PHE 634 N -3.19 0.00 -3.64 4.77 1.16 -0.36 -5.03 117.46 111.17 1xd4 n PHE 634 Ca 0.02 -0.17 -0.08 0.00 -1.87 0.00 0.00 57.45 55.35 1xd4 n PHE 634 Cb 0.71 -0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.50 1xd4 n PHE 634 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xd4 s LYS 636 N 1.38 4.08 0.16 0.00 1.02 -1.26 -3.89 119.74 121.23 1xd4 s LYS 636 Ca -0.08 1.24 -0.21 0.00 0.02 0.00 0.00 55.97 56.94 1xd4 s LYS 636 Cb -0.05 -2.19 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1xd4 s LYS 636 CO -0.16 -0.17 1.63 -1.35 -0.92 0.00 0.00 175.35 174.38 1xd4 h PRO 637 N 1.86 -0.19 -0.80 -1.68 0.11 -1.95 0.29 132.00 129.63 1xd4 h PRO 637 Ca -0.49 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1xd4 h PRO 637 Cb 1.20 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1xd4 h PRO 637 CO 0.60 -0.13 0.42 1.96 -0.21 0.00 0.00 178.00 180.65 1xd4 h GLN 638 N -0.20 0.65 -0.35 1.05 1.08 -1.99 -0.92 115.11 114.43 1xd4 h GLN 638 Ca 0.16 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.19 1xd4 h GLN 638 Cb 0.45 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1xd4 h GLN 638 CO -0.42 0.43 -0.30 1.49 -0.95 0.00 0.00 178.83 179.08 1xd4 h GLU 639 N 0.67 0.75 -0.74 1.46 4.57 -1.74 -2.20 114.58 117.36 1xd4 h GLU 639 Ca 0.41 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1xd4 h GLU 639 Cb 0.48 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1xd4 h GLU 639 CO -0.30 0.96 0.36 1.25 -1.18 0.00 0.00 179.01 180.10 1xd4 h LEU 640 N 0.64 0.96 -0.60 1.64 6.46 0.24 -0.36 115.31 124.29 1xd4 h LEU 640 Ca 0.07 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1xd4 h LEU 640 Cb 0.83 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1xd4 h LEU 640 CO 0.07 0.82 0.13 0.25 -0.62 0.00 0.00 178.44 179.09 1xd4 h LEU 641 N 1.04 0.92 -0.54 2.25 5.85 -1.07 -1.36 115.31 122.39 1xd4 h LEU 641 Ca 0.25 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xd4 h LEU 641 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1xd4 h LEU 641 CO -0.03 0.93 0.32 0.28 -0.34 0.00 0.00 178.44 179.59 1xd4 h SER 642 N 0.88 0.65 -0.60 1.25 0.02 -0.89 -1.83 113.55 113.03 1xd4 h SER 642 Ca 0.19 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1xd4 h SER 642 Cb 0.38 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1xd4 h SER 642 CO 0.01 0.53 0.06 -0.07 -1.14 0.00 0.00 176.83 176.21 1xd4 h LEU 643 N 0.72 1.00 -0.52 5.07 3.38 -0.77 -1.11 115.31 123.08 1xd4 h LEU 643 Ca 0.19 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1xd4 h LEU 643 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1xd4 h LEU 643 CO -0.03 1.03 -0.70 0.16 0.09 0.00 0.00 178.44 178.98 1xd4 h ILE 644 N 0.97 1.43 -0.52 1.22 3.07 -1.03 -0.23 117.51 122.41 1xd4 h ILE 644 Ca 0.18 -2.21 -0.08 0.00 1.55 0.00 0.00 64.86 64.31 1xd4 h ILE 644 Cb 0.48 2.17 -0.02 0.00 -0.27 0.00 0.00 36.82 39.18 1xd4 h ILE 644 CO 0.02 0.65 0.02 0.40 -1.05 0.00 0.00 178.15 178.19 1xd4 h ILE 645 N 0.15 1.26 -0.66 0.16 2.04 -1.24 0.83 117.51 120.04 1xd4 h ILE 645 Ca -0.02 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1xd4 h ILE 645 Cb 1.25 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1xd4 h ILE 645 CO 0.11 0.38 0.26 -0.08 0.00 0.00 0.00 178.15 178.81 1xd4 h GLU 646 N 0.79 0.97 -0.64 2.37 4.81 -0.98 -2.20 114.58 119.69 1xd4 h GLU 646 Ca 0.15 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1xd4 h GLU 646 Cb 0.50 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1xd4 h GLU 646 CO 0.02 0.80 0.19 -0.09 -0.73 0.00 0.00 179.01 179.20 1xd4 h ARG 647 N 0.95 1.00 -0.32 1.92 9.65 -0.50 -2.95 114.38 124.14 1xd4 h ARG 647 Ca 0.22 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1xd4 h ARG 647 Cb 0.19 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1xd4 h ARG 647 CO -0.02 0.89 0.02 0.35 2.80 0.00 0.00 179.97 184.00 1xd4 h PHE 648 N 0.93 0.50 -0.89 2.20 3.57 -0.30 -3.37 116.94 119.57 1xd4 h PHE 648 Ca 0.20 -0.04 -0.70 0.00 3.53 0.00 0.00 57.97 60.96 1xd4 h PHE 648 Cb 0.31 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 1xd4 h PHE 648 CO 0.02 0.49 2.30 0.39 -2.23 0.00 0.00 178.31 179.28 1xd4 n GLU 649 N -4.30 3.17 -3.22 1.11 -0.58 -0.88 -4.89 120.64 111.06 1xd4 n GLU 649 Ca 0.01 -3.21 -0.40 0.00 -0.42 0.00 0.00 57.16 53.14 1xd4 n GLU 649 Cb 0.22 -3.32 -0.07 0.00 -0.57 0.00 0.00 31.44 27.71 1xd4 n GLU 649 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xd4 s ILE 650 N 3.16 5.08 0.18 -3.67 1.01 -1.26 -5.01 121.20 120.69 1xd4 s ILE 650 Ca 0.49 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 1xd4 s ILE 650 Cb 0.06 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 1xd4 s ILE 650 CO 0.02 0.14 1.24 -2.16 0.00 0.00 0.00 174.94 174.17 1xd4 s PRO 651 N 1.86 4.45 0.41 2.79 0.04 -1.26 -5.02 135.00 138.27 1xd4 s PRO 651 Ca 0.24 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1xd4 s PRO 651 Cb -0.15 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 1xd4 s PRO 651 CO 0.09 -0.16 0.95 -1.21 0.04 0.00 0.00 177.00 176.72 1xd4 s GLU 652 N -0.05 4.30 0.72 4.56 2.02 -1.26 -4.87 118.70 124.12 1xd4 s GLU 652 Ca 0.55 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 56.57 1xd4 s GLU 652 Cb -0.34 -2.31 0.03 0.00 0.10 0.00 0.00 34.13 31.62 1xd4 s GLU 652 CO 0.36 0.03 1.12 -1.25 0.02 0.00 0.00 175.26 175.55 1xd4 s PRO 653 N -2.94 2.40 0.50 0.39 0.04 -1.26 -5.03 135.00 129.10 1xd4 s PRO 653 Ca 0.60 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1xd4 s PRO 653 Cb -0.11 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1xd4 s PRO 653 CO 0.15 -1.57 1.01 -2.00 0.04 0.00 0.00 177.00 174.64 1xd4 s GLU 654 N -4.32 3.86 0.35 4.56 2.12 -1.26 -4.98 118.70 119.03 1xd4 s GLU 654 Ca 0.67 1.17 -0.27 0.00 0.36 0.00 0.00 54.97 56.90 1xd4 s GLU 654 Cb -0.21 -2.12 -0.12 0.00 0.26 0.00 0.00 34.13 31.94 1xd4 s GLU 654 CO 0.47 -0.36 1.16 -2.30 -0.54 0.00 0.00 175.26 173.69 1xd4 n PRO 655 N -1.22 1.75 -1.69 4.30 -0.02 -1.26 -4.99 135.00 131.88 1xd4 n PRO 655 Ca 0.08 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 1xd4 n PRO 655 Cb 0.53 -2.16 0.19 0.00 -0.02 0.00 0.00 33.50 32.05 1xd4 n PRO 655 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xd4 s THR 656 N -1.14 1.90 0.22 3.45 -4.23 -1.26 -4.75 115.64 109.83 1xd4 s THR 656 Ca 0.58 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1xd4 s THR 656 Cb -0.59 -2.86 0.17 0.00 1.34 0.00 0.00 72.50 70.56 1xd4 s THR 656 CO 0.60 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.49 1xd4 h GLU 657 N -1.83 1.03 -0.75 3.99 4.57 -1.99 -0.90 114.58 118.69 1xd4 h GLU 657 Ca -0.45 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 1xd4 h GLU 657 Cb 1.26 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 1xd4 h GLU 657 CO 0.40 0.68 0.30 0.00 -1.18 0.00 0.00 179.01 179.22 1xd4 h ALA 658 N 1.29 1.11 -0.17 2.92 0.00 -2.00 -1.44 119.26 120.98 1xd4 h ALA 658 Ca 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xd4 h ALA 658 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1xd4 h ALA 658 CO -0.07 0.64 0.03 -0.44 0.00 0.00 0.00 179.25 179.41 1xd4 h ASP 659 N 1.09 0.26 -0.90 0.00 3.32 -1.75 -2.46 116.42 115.99 1xd4 h ASP 659 Ca 0.25 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1xd4 h ASP 659 Cb 0.20 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1xd4 h ASP 659 CO -0.02 0.45 0.57 0.03 -1.72 0.00 0.00 179.24 178.55 1xd4 h ARG 660 N 0.06 1.02 -0.78 3.56 3.08 -0.99 0.29 114.38 120.62 1xd4 h ARG 660 Ca 0.05 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1xd4 h ARG 660 Cb 0.30 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1xd4 h ARG 660 CO 0.00 0.67 0.35 0.82 -1.07 0.00 0.00 179.97 180.75 1xd4 h ILE 661 N 1.05 1.25 0.19 2.04 2.04 -1.13 -0.33 117.51 122.62 1xd4 h ILE 661 Ca 0.38 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1xd4 h ILE 661 Cb 0.13 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1xd4 h ILE 661 CO -0.16 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.21 1xd4 h ALA 662 N 1.18 -0.25 -1.00 1.87 0.00 -0.88 -2.80 119.26 117.39 1xd4 h ALA 662 Ca 0.27 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1xd4 h ALA 662 Cb 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1xd4 h ALA 662 CO -0.03 -0.47 0.61 0.82 0.00 0.00 0.00 179.25 180.18 1xd4 h ILE 663 N -0.59 0.79 0.00 0.00 2.04 -0.86 0.17 117.51 119.06 1xd4 h ILE 663 Ca -0.03 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xd4 h ILE 663 Cb 0.44 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1xd4 h ILE 663 CO 0.04 0.16 0.00 -0.08 0.00 0.00 0.00 178.15 178.27 1xd4 h GLU 664 N 0.85 0.00 -0.44 2.37 4.81 -0.95 -2.08 114.58 119.14 1xd4 h GLU 664 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1xd4 h GLU 664 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1xd4 h GLU 664 CO -0.34 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.03 1xd4 n ASN 665 N -2.39 3.27 0.00 1.04 3.02 0.55 -4.96 115.26 115.79 1xd4 n ASN 665 Ca 0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1xd4 n ASN 665 Cb 0.20 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1xd4 n ASN 665 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xd4 n GLY 666 N 1.13 0.54 3.69 7.41 0.00 -0.78 -5.05 105.19 112.12 1xd4 n GLY 666 Ca 0.17 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1xd4 n GLY 666 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xd4 s ASP 667 N -2.21 4.18 0.11 1.61 -4.77 -1.05 -5.02 116.67 109.52 1xd4 s ASP 667 Ca 0.00 -1.23 -0.31 0.00 -3.30 0.00 0.00 52.55 47.71 1xd4 s ASP 667 Cb 0.00 -0.38 -0.07 0.00 -1.09 0.00 0.00 42.92 41.38 1xd4 s ASP 667 CO 0.00 -0.53 1.27 -1.58 0.70 0.00 0.00 175.17 175.03 1xd4 s GLN 668 N -3.83 4.40 0.38 2.11 0.74 -1.26 -3.68 119.66 118.53 1xd4 s GLN 668 Ca 0.37 1.90 -0.24 0.00 0.05 0.00 0.00 55.36 57.44 1xd4 s GLN 668 Cb 0.06 -3.29 -0.09 0.00 1.10 0.00 0.00 33.01 30.80 1xd4 s GLN 668 CO 0.20 -0.28 1.03 -2.14 -0.55 0.00 0.00 175.29 173.55 1xd4 s PRO 669 N 0.76 4.25 0.25 1.67 0.02 -1.26 -4.89 135.00 135.80 1xd4 s PRO 669 Ca 0.59 1.48 0.09 0.00 0.02 0.00 0.00 61.00 63.18 1xd4 s PRO 669 Cb -0.33 -2.59 0.30 0.00 0.02 0.00 0.00 34.50 31.90 1xd4 s PRO 669 CO 0.31 -0.06 1.58 -0.07 -0.33 0.00 0.00 177.00 178.43 1xd4 h LEU 670 N 2.63 0.08 -1.48 -5.54 3.38 -1.93 -3.47 115.31 108.97 1xd4 h LEU 670 Ca -0.48 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 56.94 1xd4 h LEU 670 Cb 1.21 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1xd4 h LEU 670 CO 0.63 0.69 -0.84 -1.20 0.09 0.00 0.00 178.44 177.81 1xd4 n SER 671 N -3.80 -2.13 -0.08 -0.43 7.64 -1.26 -4.89 113.62 108.67 1xd4 n SER 671 Ca -0.02 -0.95 -0.06 0.00 1.01 0.00 0.00 58.87 58.85 1xd4 n SER 671 Cb 0.63 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 1xd4 n SER 671 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xd4 h ALA 672 N 0.89 0.28 -0.40 -0.43 0.00 -2.00 -1.74 119.26 115.86 1xd4 h ALA 672 Ca -0.61 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1xd4 h ALA 672 Cb 1.38 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1xd4 h ALA 672 CO 0.67 -0.40 -0.35 0.93 0.00 0.00 0.00 179.25 180.10 1xd4 h GLU 673 N 0.09 0.94 -0.35 0.00 5.08 -1.99 -2.35 114.58 116.00 1xd4 h GLU 673 Ca 0.15 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1xd4 h GLU 673 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xd4 h GLU 673 CO -0.25 1.13 0.22 1.25 -1.00 0.00 0.00 179.01 180.36 1xd4 h LEU 674 N 0.77 0.38 -1.25 1.33 5.85 -1.91 -0.17 115.31 120.31 1xd4 h LEU 674 Ca 0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1xd4 h LEU 674 Cb 0.93 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1xd4 h LEU 674 CO 0.09 0.27 0.02 0.11 -0.34 0.00 0.00 178.44 178.59 1xd4 h LYS 675 N 0.45 0.53 -0.24 1.25 1.57 -1.27 -1.45 116.57 117.41 1xd4 h LYS 675 Ca 0.13 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1xd4 h LYS 675 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xd4 h LYS 675 CO -0.04 0.54 -0.41 0.00 -0.57 0.00 0.00 179.45 178.98 1xd4 h ARG 676 N 0.51 0.69 -0.60 3.15 3.08 -1.04 -2.39 114.38 117.77 1xd4 h ARG 676 Ca 0.11 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1xd4 h ARG 676 Cb 0.31 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1xd4 h ARG 676 CO 0.01 1.05 0.31 0.35 -1.07 0.00 0.00 179.97 180.61 1xd4 h PHE 677 N 0.41 0.82 -0.29 3.04 3.57 -0.55 0.26 116.94 124.20 1xd4 h PHE 677 Ca 0.02 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1xd4 h PHE 677 Cb 1.00 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1xd4 h PHE 677 CO 0.08 0.59 -0.49 0.00 -2.23 0.00 0.00 178.31 176.26 1xd4 h ARG 678 N 0.84 0.79 -0.01 1.11 3.08 -1.21 -1.00 114.38 117.98 1xd4 h ARG 678 Ca 0.21 -0.47 -0.25 0.00 0.07 0.00 0.00 59.98 59.54 1xd4 h ARG 678 Cb 0.06 0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.17 1xd4 h ARG 678 CO -0.03 1.10 -0.97 -0.22 -1.07 0.00 0.00 179.97 178.78 1xd4 h LYS 679 N 0.63 0.67 -0.02 0.04 3.64 -0.95 -0.45 116.57 120.13 1xd4 h LYS 679 Ca 0.03 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 1xd4 h LYS 679 Cb 1.07 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1xd4 h LYS 679 CO 0.11 1.30 -0.42 0.39 -2.27 0.00 0.00 179.45 178.55 1xd4 n GLU 680 N -3.91 1.36 0.09 1.90 1.02 0.88 -4.50 120.64 117.48 1xd4 n GLU 680 Ca -0.11 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1xd4 n GLU 680 Cb 0.85 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1xd4 n GLU 680 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1xd4 n TYR 681 N 0.03 -1.15 0.19 -0.32 4.19 -0.45 -4.83 117.16 114.82 1xd4 n TYR 681 Ca 0.09 0.20 -0.15 0.00 3.31 0.00 0.00 57.90 61.36 1xd4 n TYR 681 Cb 0.45 0.28 -0.08 0.00 0.49 0.00 0.00 39.34 40.47 1xd4 n TYR 681 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1xd4 h ILE 682 N 0.00 0.71 0.27 2.97 2.04 -1.42 -2.06 117.51 120.02 1xd4 h ILE 682 Ca 0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1xd4 h ILE 682 Cb 0.04 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1xd4 h ILE 682 CO 0.00 0.01 -0.13 -0.61 0.00 0.00 0.00 178.15 177.42 1xd4 h GLN 683 N -0.43 -0.35 -0.36 2.37 4.15 -1.33 0.11 115.11 119.27 1xd4 h GLN 683 Ca -0.04 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1xd4 h GLN 683 Cb 0.33 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1xd4 h GLN 683 CO 0.07 -0.23 0.02 -1.00 -1.93 0.00 0.00 178.83 175.76 1xd4 h PRO 684 N -0.36 0.56 -0.28 -2.39 0.13 -1.79 0.03 132.00 127.89 1xd4 h PRO 684 Ca -0.04 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 64.87 1xd4 h PRO 684 Cb 0.28 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1xd4 h PRO 684 CO 0.06 0.56 -0.27 0.28 -0.23 0.00 0.00 178.00 178.41 1xd4 h VAL 685 N 0.54 1.30 -0.40 1.56 2.07 -1.10 -1.82 116.25 118.41 1xd4 h VAL 685 Ca 0.12 -1.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.09 1xd4 h VAL 685 Cb 0.31 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1xd4 h VAL 685 CO 0.01 0.46 -0.25 1.56 0.02 0.00 0.00 177.57 179.37 1xd4 h GLN 686 N 0.42 0.82 -0.64 1.57 4.20 -0.53 -0.93 115.11 120.01 1xd4 h GLN 686 Ca 0.05 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 1xd4 h GLN 686 Cb 0.83 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1xd4 h GLN 686 CO 0.07 0.97 0.13 -0.07 -0.67 0.00 0.00 178.83 179.26 1xd4 h LEU 687 N 0.70 1.00 -1.12 1.46 3.38 -0.99 -0.96 115.31 118.78 1xd4 h LEU 687 Ca 0.09 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1xd4 h LEU 687 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1xd4 h LEU 687 CO 0.06 0.99 -0.37 0.03 0.09 0.00 0.00 178.44 179.24 1xd4 h ARG 688 N 0.97 0.12 -0.27 1.13 3.08 -1.09 0.18 114.38 118.50 1xd4 h ARG 688 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1xd4 h ARG 688 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1xd4 h ARG 688 CO 0.01 0.48 -0.03 0.28 -1.07 0.00 0.00 179.97 179.64 1xd4 h VAL 689 N 0.11 1.27 -0.47 2.04 2.07 -0.71 -1.91 116.25 118.65 1xd4 h VAL 689 Ca 0.01 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1xd4 h VAL 689 Cb 0.71 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1xd4 h VAL 689 CO 0.05 0.32 0.13 -0.07 0.02 0.00 0.00 177.57 178.02 1xd4 h LEU 690 N 0.26 0.65 -0.59 2.57 3.38 -0.80 -1.50 115.31 119.28 1xd4 h LEU 690 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xd4 h LEU 690 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1xd4 h LEU 690 CO 0.02 0.63 0.31 -1.13 0.09 0.00 0.00 178.44 178.37 1xd4 h ASN 691 N 0.69 0.75 -0.64 -0.43 -1.24 -0.33 -0.89 115.58 113.47 1xd4 h ASN 691 Ca 0.16 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1xd4 h ASN 691 Cb 0.23 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1xd4 h ASN 691 CO -0.01 0.64 0.40 0.58 -1.29 0.00 0.00 177.43 177.75 1xd4 h VAL 692 N 0.80 1.18 -0.45 2.57 2.07 -0.73 -1.92 116.25 119.78 1xd4 h VAL 692 Ca 0.21 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1xd4 h VAL 692 Cb 0.06 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1xd4 h VAL 692 CO -0.03 0.18 0.29 0.00 0.02 0.00 0.00 177.57 178.03 1xd4 h ARG 694 N 0.60 -0.08 -0.86 0.00 2.43 -0.91 -1.53 114.38 114.04 1xd4 h ARG 694 Ca 0.16 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1xd4 h ARG 694 Cb -0.04 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1xd4 h ARG 694 CO -0.03 0.00 0.49 1.25 -1.51 0.00 0.00 179.97 180.17 1xd4 h HIS 695 N -0.14 1.17 0.12 2.20 2.76 -1.28 0.17 115.15 120.14 1xd4 h HIS 695 Ca -0.01 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1xd4 h HIS 695 Cb 0.12 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1xd4 h HIS 695 CO -0.06 0.80 -0.10 2.35 -1.30 0.00 0.00 177.93 179.63 1xd4 h TRP 696 N 1.20 -0.25 -0.27 5.26 2.91 -0.72 0.81 115.95 124.89 1xd4 h TRP 696 Ca 0.31 -0.00 -0.16 0.00 1.13 0.00 0.00 58.89 60.17 1xd4 h TRP 696 Cb 0.00 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 1xd4 h TRP 696 CO 0.01 -0.15 -0.46 0.28 -1.03 0.00 0.00 178.44 177.08 1xd4 h VAL 697 N -0.23 1.29 -0.14 2.65 2.07 -1.13 -1.29 116.25 119.47 1xd4 h VAL 697 Ca -0.00 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1xd4 h VAL 697 Cb 0.21 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1xd4 h VAL 697 CO -0.01 0.53 -0.09 -0.08 0.02 0.00 0.00 177.57 177.94 1xd4 h GLU 698 N 0.57 0.31 -0.07 1.57 4.81 -0.47 -3.31 114.58 117.99 1xd4 h GLU 698 Ca 0.03 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xd4 h GLU 698 Cb 1.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1xd4 h GLU 698 CO 0.10 0.66 0.00 0.72 -0.73 0.00 0.00 179.01 179.75 1xd4 n HIS 699 N -4.63 0.08 -2.75 0.92 8.25 0.26 -4.66 115.22 112.69 1xd4 n HIS 699 Ca -0.06 -0.20 -0.04 0.00 -0.26 0.00 0.00 57.72 57.17 1xd4 n HIS 699 Cb 0.31 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.46 1xd4 n HIS 699 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xd4 n HIS 700 N 0.16 0.82 0.31 4.41 8.25 -0.49 -4.93 115.22 123.75 1xd4 n HIS 700 Ca 0.04 -2.35 0.20 0.00 -0.26 0.00 0.00 57.72 55.35 1xd4 n HIS 700 Cb 0.21 -0.08 1.00 0.00 1.12 0.00 0.00 29.99 32.24 1xd4 n HIS 700 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1xd4 h PHE 701 N 2.62 0.00 -0.18 4.41 3.57 -1.64 -2.92 116.94 122.80 1xd4 h PHE 701 Ca -0.15 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.40 1xd4 h PHE 701 Cb 1.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1xd4 h PHE 701 CO 0.44 0.02 0.13 0.10 -2.23 0.00 0.00 178.31 176.78 1xd4 h TYR 702 N 0.00 0.00 -0.95 0.41 -0.00 -1.91 0.73 116.97 115.25 1xd4 h TYR 702 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 1xd4 h TYR 702 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.85 1xd4 h TYR 702 CO 0.00 0.00 0.62 -0.44 -0.00 0.00 0.00 178.16 178.34 1xd4 h ASP 703 N 0.00 1.04 0.67 0.10 3.32 -1.89 -1.00 116.42 118.66 1xd4 h ASP 703 Ca 0.08 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1xd4 h ASP 703 Cb 0.35 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1xd4 h ASP 703 CO -0.00 0.72 -0.89 -0.26 -1.72 0.00 0.00 179.24 177.09 1xd4 h PHE 704 N 1.21 0.21 -0.26 4.55 0.04 -1.11 -2.77 116.94 118.81 1xd4 h PHE 704 Ca 0.38 -0.12 -0.11 0.00 2.80 0.00 0.00 57.97 60.92 1xd4 h PHE 704 Cb -0.01 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1xd4 h PHE 704 CO -0.01 0.95 -0.30 0.93 -0.60 0.00 0.00 178.31 179.28 1xd4 h GLU 705 N 0.07 0.52 0.00 1.51 5.08 -0.80 -3.01 114.58 117.95 1xd4 h GLU 705 Ca -0.04 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xd4 h GLU 705 Cb 1.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1xd4 h GLU 705 CO 0.13 0.77 -0.31 0.54 -1.00 0.00 0.00 179.01 179.13 1xd4 n ARG 706 N -4.09 0.21 -3.62 2.33 1.74 -0.42 -4.63 116.66 108.18 1xd4 n ARG 706 Ca -0.01 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1xd4 n ARG 706 Cb 0.44 -1.68 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 1xd4 n ARG 706 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1xd4 s ASP 707 N -4.01 3.69 0.20 0.55 -1.08 -1.05 -5.02 116.67 109.95 1xd4 s ASP 707 Ca 0.09 -1.40 -0.11 0.00 -0.52 0.00 0.00 52.55 50.61 1xd4 s ASP 707 Cb 0.14 -0.55 0.15 0.00 -1.46 0.00 0.00 42.92 41.20 1xd4 s ASP 707 CO 0.65 -0.43 1.85 0.00 0.52 0.00 0.00 175.17 177.76 1xd4 h ALA 708 N 8.28 0.84 -0.52 3.66 0.00 -1.82 -2.35 119.26 127.35 1xd4 h ALA 708 Ca -0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1xd4 h ALA 708 Cb 1.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xd4 h ALA 708 CO 0.45 0.20 0.15 -0.92 0.00 0.00 0.00 179.25 179.13 1xd4 h TYR 709 N 0.83 0.79 -0.55 0.00 3.20 -1.95 -1.73 116.97 117.56 1xd4 h TYR 709 Ca 0.25 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1xd4 h TYR 709 Cb -0.03 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 1xd4 h TYR 709 CO -0.04 0.65 0.29 1.25 -1.64 0.00 0.00 178.16 178.67 1xd4 h LEU 710 N 0.76 0.43 -0.28 2.82 5.85 -1.77 0.32 115.31 123.44 1xd4 h LEU 710 Ca 0.17 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1xd4 h LEU 710 Cb 0.24 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xd4 h LEU 710 CO -0.01 0.29 0.03 0.25 -0.34 0.00 0.00 178.44 178.67 1xd4 h LEU 711 N 0.56 0.46 -0.86 2.25 5.85 -1.28 -1.99 115.31 120.30 1xd4 h LEU 711 Ca 0.24 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1xd4 h LEU 711 Cb 0.13 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1xd4 h LEU 711 CO -0.16 0.62 0.53 1.56 -0.34 0.00 0.00 178.44 180.65 1xd4 h GLN 712 N 0.28 0.92 -0.42 1.25 4.20 -0.72 -0.25 115.11 120.37 1xd4 h GLN 712 Ca 0.08 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1xd4 h GLN 712 Cb 0.37 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1xd4 h GLN 712 CO 0.01 0.61 -0.06 0.00 -0.67 0.00 0.00 178.83 178.71 1xd4 h ARG 713 N 0.95 0.71 -0.20 1.46 3.08 -0.73 -0.41 114.38 119.23 1xd4 h ARG 713 Ca 0.39 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1xd4 h ARG 713 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1xd4 h ARG 713 CO -0.19 0.77 -0.20 1.98 -1.07 0.00 0.00 179.97 181.26 1xd4 h MET 714 N 0.66 0.50 -0.61 0.04 4.05 -0.58 0.18 114.93 119.17 1xd4 h MET 714 Ca 0.12 -0.26 -0.04 0.00 -0.28 0.00 0.00 59.70 59.24 1xd4 h MET 714 Cb 0.50 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1xd4 h MET 714 CO 0.03 0.84 0.21 0.93 0.23 0.00 0.00 176.91 179.15 1xd4 h GLU 715 N 0.17 0.91 -0.07 0.39 5.08 -0.92 -0.56 114.58 119.59 1xd4 h GLU 715 Ca 0.03 -0.16 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 1xd4 h GLU 715 Cb 0.75 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xd4 h GLU 715 CO 0.05 0.77 -0.77 0.93 -1.00 0.00 0.00 179.01 178.99 1xd4 h GLU 716 N 0.89 0.43 0.50 2.33 5.08 -0.96 -2.13 114.58 120.73 1xd4 h GLU 716 Ca 0.20 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1xd4 h GLU 716 Cb 0.23 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1xd4 h GLU 716 CO -0.01 1.02 -0.24 0.35 -1.00 0.00 0.00 179.01 179.12 1xd4 h PHE 717 N 0.29 -0.63 -0.80 4.33 3.57 -0.49 -2.13 116.94 121.09 1xd4 h PHE 717 Ca -0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.57 1xd4 h PHE 717 Cb 1.36 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 40.26 1xd4 h PHE 717 CO 0.05 -0.32 0.52 0.82 -2.23 0.00 0.00 178.31 177.15 1xd4 h ILE 718 N -0.83 0.85 0.00 1.41 1.08 -1.16 -0.80 117.51 118.06 1xd4 h ILE 718 Ca -0.07 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1xd4 h ILE 718 Cb 0.58 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1xd4 h ILE 718 CO 0.11 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.29 1xd4 n GLY 719 N -1.47 -1.46 0.02 5.37 0.00 -0.80 -3.20 105.19 103.64 1xd4 n GLY 719 Ca 0.15 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1xd4 n GLY 719 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xd4 n THR 720 N -1.72 0.09 -1.88 2.61 -2.24 -0.31 -4.90 114.28 105.92 1xd4 n THR 720 Ca 0.06 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1xd4 n THR 720 Cb 0.33 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1xd4 n THR 720 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xd4 s VAL 721 N -3.14 3.35 0.37 2.28 1.01 -1.16 -4.99 120.40 118.13 1xd4 s VAL 721 Ca 0.05 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.47 1xd4 s VAL 721 Cb 0.15 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1xd4 s VAL 721 CO 0.81 -0.22 0.52 -0.13 0.00 0.00 0.00 175.10 176.08 1xd4 s ARG 722 N 5.47 3.02 0.00 2.72 0.52 -1.26 -4.90 118.95 124.51 1xd4 s ARG 722 Ca 0.84 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1xd4 s ARG 722 Cb -0.28 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1xd4 s ARG 722 CO 0.34 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.99 1xd4 n GLY 723 N -1.75 2.55 0.21 -3.53 0.00 -1.26 -4.79 105.19 96.61 1xd4 n GLY 723 Ca 0.02 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1xd4 n GLY 723 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xd4 h LYS 724 N 0.00 0.00 0.00 1.61 2.10 -2.00 -2.92 116.57 115.36 1xd4 h LYS 724 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xd4 h LYS 724 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xd4 h LYS 724 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1xd4 n ALA 725 N -2.02 2.35 0.00 0.07 0.00 -1.26 -3.27 120.51 116.38 1xd4 n ALA 725 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xd4 n ALA 725 Cb 0.44 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1xd4 n ALA 725 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xd4 n MET 726 N -0.64 5.24 -0.35 0.00 2.81 -1.18 -4.88 117.12 118.12 1xd4 n MET 726 Ca 0.05 0.00 0.25 0.00 -1.81 0.00 0.00 57.70 56.19 1xd4 n MET 726 Cb 0.02 -0.45 0.50 0.00 -0.71 0.00 0.00 33.22 32.58 1xd4 n MET 726 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xd4 h LYS 727 N 0.00 0.33 -0.21 0.03 3.64 -1.50 0.27 116.57 119.12 1xd4 h LYS 727 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xd4 h LYS 727 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1xd4 h LYS 727 CO 0.00 0.22 0.13 -0.22 -2.27 0.00 0.00 179.45 177.31 1xd4 h LYS 728 N 0.34 0.26 0.02 1.90 1.63 -1.90 -1.27 116.57 117.55 1xd4 h LYS 728 Ca 0.71 -0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 60.29 1xd4 h LYS 728 Cb 1.72 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.28 1xd4 h LYS 728 CO -0.50 0.18 -0.93 -1.49 -3.45 0.00 0.00 179.45 173.25 1xd4 h TRP 729 N 0.27 0.32 -0.02 1.91 6.55 -1.42 -2.68 115.95 120.89 1xd4 h TRP 729 Ca 0.08 -0.19 -0.00 0.00 0.95 0.00 0.00 58.89 59.73 1xd4 h TRP 729 Cb -0.02 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.25 1xd4 h TRP 729 CO -0.07 1.02 0.01 0.28 -1.05 0.00 0.00 178.44 178.63 1xd4 h VAL 730 N 0.11 1.14 -0.83 1.49 2.07 -0.91 -1.10 116.25 118.22 1xd4 h VAL 730 Ca -0.05 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1xd4 h VAL 730 Cb 1.58 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1xd4 h VAL 730 CO 0.14 0.11 0.53 -0.08 0.02 0.00 0.00 177.57 178.30 1xd4 h GLU 731 N -0.14 1.03 0.23 1.57 4.81 -1.30 -1.38 114.58 119.40 1xd4 h GLU 731 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xd4 h GLU 731 Cb 0.17 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1xd4 h GLU 731 CO -0.00 0.68 -0.11 1.03 -0.73 0.00 0.00 179.01 179.88 1xd4 h SER 732 N 1.06 -0.26 -0.70 1.04 0.87 -1.18 -2.34 113.55 112.03 1xd4 h SER 732 Ca 0.32 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1xd4 h SER 732 Cb -0.03 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1xd4 h SER 732 CO -0.10 -0.16 0.33 0.40 -0.53 0.00 0.00 176.83 176.77 1xd4 h ILE 733 N -0.34 1.23 -0.83 2.23 2.04 -0.99 -1.44 117.51 119.41 1xd4 h ILE 733 Ca -0.03 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1xd4 h ILE 733 Cb 0.26 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1xd4 h ILE 733 CO 0.05 0.28 0.55 0.74 0.00 0.00 0.00 178.15 179.77 1xd4 h THR 734 N 1.02 1.19 -0.37 -0.27 2.02 -1.10 -0.57 112.91 114.82 1xd4 h THR 734 Ca 0.25 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1xd4 h THR 734 Cb 0.12 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1xd4 h THR 734 CO -0.03 0.20 -0.33 0.11 0.37 0.00 0.00 175.52 175.84 1xd4 h LYS 735 N 1.10 0.84 -0.78 6.66 1.57 -0.93 -2.42 116.57 122.61 1xd4 h LYS 735 Ca 0.32 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1xd4 h LYS 735 Cb -0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1xd4 h LYS 735 CO -0.08 1.04 0.29 0.82 -0.57 0.00 0.00 179.45 180.95 1xd4 h ILE 736 N 0.70 1.26 -0.57 1.86 2.04 -0.78 -1.14 117.51 120.87 1xd4 h ILE 736 Ca 0.07 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1xd4 h ILE 736 Cb 0.89 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1xd4 h ILE 736 CO 0.08 0.35 0.26 0.40 0.00 0.00 0.00 178.15 179.23 1xd4 h ILE 737 N 1.15 1.21 -0.03 -0.67 2.04 -0.98 -2.18 117.51 118.06 1xd4 h ILE 737 Ca 0.26 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 1xd4 h ILE 737 Cb 0.25 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1xd4 h ILE 737 CO -0.02 0.25 -0.41 1.56 0.00 0.00 0.00 178.15 179.53 1xd4 h GLN 738 N 0.78 0.06 -0.07 2.37 1.08 -1.09 -2.70 115.11 115.55 1xd4 h GLN 738 Ca 0.19 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1xd4 h GLN 738 Cb 0.15 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1xd4 h GLN 738 CO -0.02 0.46 -0.50 0.00 -0.95 0.00 0.00 178.83 177.83 1xd4 h ARG 739 N 0.05 0.17 0.00 1.46 3.08 -0.85 -2.76 114.38 115.54 1xd4 h ARG 739 Ca 0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1xd4 h ARG 739 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1xd4 h ARG 739 CO 0.06 0.63 -0.10 0.87 -1.07 0.00 0.00 179.97 180.36 1xd4 h LYS 740 N 0.14 0.00 0.02 0.04 1.79 -1.07 -3.09 116.57 114.40 1xd4 h LYS 740 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.20 1xd4 h LYS 740 Cb 0.93 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 1xd4 h LYS 740 CO 0.07 0.10 -1.52 0.87 -1.08 0.00 0.00 179.45 177.89 1xd4 h LYS 741 N 0.00 0.04 -0.04 3.15 1.57 -1.35 -3.37 116.57 116.57 1xd4 h LYS 741 Ca -0.00 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 1xd4 h LYS 741 Cb 0.62 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1xd4 h LYS 741 CO 0.01 0.71 -0.94 -0.84 -0.57 0.00 0.00 179.45 177.82 1xd4 h ILE 742 N 0.01 1.31 -2.06 1.86 3.07 -1.46 -3.52 117.51 116.71 1xd4 h ILE 742 Ca -0.22 -2.22 0.16 0.00 1.55 0.00 0.00 64.86 64.13 1xd4 h ILE 742 Cb 1.95 2.28 -0.15 0.00 -0.27 0.00 0.00 36.82 40.63 1xd4 h ILE 742 CO 0.10 0.68 0.58 0.00 -1.05 0.00 0.00 178.15 178.47 1xd4 s ALA 743 N -3.42 -1.88 -0.48 0.16 0.00 -1.17 -5.14 121.76 109.82 1xd4 s ALA 743 Ca -0.09 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.01 1xd4 s ALA 743 Cb 0.08 0.31 0.26 0.00 0.00 0.00 0.00 23.12 23.77 1xd4 s ALA 743 CO 0.90 -0.71 0.63 1.58 0.00 0.00 0.00 175.76 178.16 1xd4 n HIS 750 N -0.24 1.20 -1.60 0.00 -0.00 -1.26 -4.92 115.22 108.41 1xd4 n HIS 750 Ca -0.06 -3.80 -0.31 0.00 0.46 0.00 0.00 57.72 54.01 1xd4 n HIS 750 Cb 0.61 -0.43 0.05 0.00 -0.12 0.00 0.00 29.99 30.10 1xd4 n HIS 750 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1xd4 s ASN 751 N -1.82 5.28 -0.07 0.26 2.47 -1.26 -5.07 114.94 114.74 1xd4 s ASN 751 Ca 0.38 1.53 0.02 0.00 0.42 0.00 0.00 52.86 55.21 1xd4 s ASN 751 Cb 0.18 -2.39 0.01 0.00 -1.45 0.00 0.00 41.25 37.60 1xd4 s ASN 751 CO -0.08 -1.50 -0.13 -0.63 -3.72 0.00 0.00 177.10 171.05 1xd4 s ILE 752 N -3.08 1.19 -0.06 -5.21 -1.09 -1.26 -5.14 121.20 106.55 1xd4 s ILE 752 Ca 0.58 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 1xd4 s ILE 752 Cb -0.14 -1.08 -0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1xd4 s ILE 752 CO 0.55 0.37 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.67 1xd4 s THR 753 N 0.61 3.73 0.15 2.92 2.01 -1.26 -5.13 115.64 118.67 1xd4 s THR 753 Ca -0.14 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.46 1xd4 s THR 753 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1xd4 s THR 753 CO 0.04 0.58 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.97 1xd4 s PHE 754 N -0.83 2.05 0.00 4.92 0.08 -1.26 -5.06 117.98 117.88 1xd4 s PHE 754 Ca 0.13 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1xd4 s PHE 754 Cb -0.11 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1xd4 s PHE 754 CO 0.02 0.35 0.96 1.04 -0.10 0.00 0.00 175.22 177.49 1xd4 n GLN 755 N 0.60 0.00 -1.36 0.44 1.13 -1.26 -4.86 117.38 112.07 1xd4 n GLN 755 Ca -0.15 0.47 -0.05 0.00 -1.94 0.00 0.00 57.00 55.32 1xd4 n GLN 755 Cb 0.55 -1.46 0.02 0.00 0.11 0.00 0.00 30.24 29.46 1xd4 n GLN 755 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1xd4 n SER 756 N -1.90 0.47 -4.79 1.08 2.88 -1.26 -5.12 113.62 104.98 1xd4 n SER 756 Ca 0.00 -1.36 -0.31 0.00 -1.33 0.00 0.00 58.87 55.87 1xd4 n SER 756 Cb 0.00 -0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 1xd4 n SER 756 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xd4 s SER 757 N -1.97 5.65 0.54 -3.46 0.15 -1.26 -5.09 113.70 108.25 1xd4 s SER 757 Ca 0.16 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.67 1xd4 s SER 757 Cb -0.01 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 1xd4 s SER 757 CO 0.10 0.21 1.27 -2.16 1.20 0.00 0.00 173.24 173.86 1xd4 s PRO 758 N -2.17 3.25 0.73 5.44 0.04 -1.26 -4.99 135.00 136.04 1xd4 s PRO 758 Ca 0.28 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 1xd4 s PRO 758 Cb -0.12 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.24 1xd4 s PRO 758 CO 0.20 -1.03 1.13 -1.25 0.04 0.00 0.00 177.00 176.08 1xd4 s PRO 759 N -2.96 2.35 0.29 0.56 0.04 -1.26 -4.95 135.00 129.08 1xd4 s PRO 759 Ca 0.71 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1xd4 s PRO 759 Cb -0.35 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1xd4 s PRO 759 CO 0.40 -1.60 1.35 0.99 0.04 0.00 0.00 177.00 178.18 1xd4 s THR 760 N -2.47 2.74 0.26 1.26 2.01 -1.26 -4.63 115.64 113.54 1xd4 s THR 760 Ca 0.67 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 1xd4 s THR 760 Cb -0.21 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1xd4 s THR 760 CO 0.48 0.14 1.47 -0.69 -0.69 0.00 0.00 174.62 175.33 1xd4 s VAL 761 N -0.68 2.55 -0.12 3.82 1.01 -1.26 -5.00 120.40 120.71 1xd4 s VAL 761 Ca 0.53 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 1xd4 s VAL 761 Cb -0.40 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1xd4 s VAL 761 CO 0.49 0.07 0.08 -1.61 0.00 0.00 0.00 175.10 174.13 1xd4 s GLU 762 N -0.36 3.40 0.11 2.72 2.02 -1.26 -5.10 118.70 120.22 1xd4 s GLU 762 Ca 0.60 -0.27 0.10 0.00 0.02 0.00 0.00 54.97 55.43 1xd4 s GLU 762 Cb -0.43 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1xd4 s GLU 762 CO 0.44 0.65 -0.26 -1.58 0.02 0.00 0.00 175.26 174.54 1xd4 s TRP 763 N -0.70 2.19 0.00 1.61 0.52 -1.26 -4.53 118.94 116.77 1xd4 s TRP 763 Ca 0.12 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1xd4 s TRP 763 Cb -0.12 -1.20 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1xd4 s TRP 763 CO 0.03 0.28 0.00 1.58 0.02 0.00 0.00 176.95 178.86 1xd4 n HIS 764 N 1.06 0.00 0.00 -1.98 -0.00 -1.26 -4.84 115.22 108.20 1xd4 n HIS 764 Ca -0.18 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.88 1xd4 n HIS 764 Cb 0.53 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.31 1xd4 n HIS 764 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1xd4 h ILE 765 N 0.00 1.16 -3.56 3.57 2.04 -1.54 -3.44 117.51 115.74 1xd4 h ILE 765 Ca 0.00 -1.42 -0.52 0.00 1.00 0.00 0.00 64.86 63.92 1xd4 h ILE 765 Cb 0.00 2.00 0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1xd4 h ILE 765 CO 0.00 0.32 0.68 -0.44 0.00 0.00 0.00 178.15 178.71 1xd4 s SER 766 N -5.71 6.78 0.33 1.72 0.01 -0.45 -5.02 113.70 111.37 1xd4 s SER 766 Ca -0.14 2.59 0.07 0.00 1.31 0.00 0.00 55.95 59.78 1xd4 s SER 766 Cb -0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1xd4 s SER 766 CO 0.55 -0.58 0.28 -0.13 0.41 0.00 0.00 173.24 173.77 1xd4 s ARG 767 N -0.80 2.72 0.18 12.44 1.81 -1.26 -4.91 118.95 129.13 1xd4 s ARG 767 Ca 0.55 -1.29 -0.33 0.00 -1.72 0.00 0.00 55.73 52.93 1xd4 s ARG 767 Cb -0.39 -2.47 -0.14 0.00 -0.45 0.00 0.00 34.95 31.49 1xd4 s ARG 767 CO 0.45 0.11 1.44 -2.30 -0.68 0.00 0.00 175.30 174.33 1xd4 n PRO 768 N -1.35 1.87 0.00 3.54 -0.02 -1.26 -1.89 135.00 135.88 1xd4 n PRO 768 Ca -0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1xd4 n PRO 768 Cb 0.60 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1xd4 n PRO 768 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xd4 n GLY 769 N 2.71 2.41 2.67 -1.23 0.00 -1.26 -4.93 105.19 105.55 1xd4 n GLY 769 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1xd4 n GLY 769 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xd4 n HIS 770 N -2.00 2.66 0.33 1.61 8.25 -0.79 -4.78 115.22 120.49 1xd4 n HIS 770 Ca 0.00 -2.47 0.15 0.00 -0.26 0.00 0.00 57.72 55.14 1xd4 n HIS 770 Cb 0.00 -1.33 0.78 0.00 1.12 0.00 0.00 29.99 30.56 1xd4 n HIS 770 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1xd4 h ILE 771 N 2.20 0.02 0.00 1.59 3.07 -1.92 -1.33 117.51 121.14 1xd4 h ILE 771 Ca 0.56 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.97 1xd4 h ILE 771 Cb 0.28 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 37.47 1xd4 h ILE 771 CO 1.27 0.00 -0.03 -0.33 -1.05 0.00 0.00 178.15 178.01 1xd4 h GLU 772 N 0.00 0.00 -0.01 0.16 3.07 -1.97 -2.98 114.58 112.85 1xd4 h GLU 772 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1xd4 h GLU 772 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1xd4 h GLU 772 CO -0.00 0.03 -0.53 0.25 -1.40 0.00 0.00 179.01 177.35 1xd4 n THR 773 N -3.13 0.00 -1.70 1.13 -2.24 -0.50 -4.97 114.28 102.87 1xd4 n THR 773 Ca 0.01 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.23 1xd4 n THR 773 Cb 0.34 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1xd4 n THR 773 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xd4 n PHE 774 N -0.78 2.51 -3.79 4.78 3.01 -1.13 -4.79 117.46 117.27 1xd4 n PHE 774 Ca 0.08 0.22 -0.03 0.00 1.01 0.00 0.00 57.45 58.73 1xd4 n PHE 774 Cb 0.38 -2.58 -0.00 0.00 -0.01 0.00 0.00 39.48 37.27 1xd4 n PHE 774 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1xd4 s ASP 775 N 0.82 -0.11 0.25 4.37 -1.08 -1.26 -5.01 116.67 114.65 1xd4 s ASP 775 Ca 0.73 -0.52 -0.03 0.00 -0.52 0.00 0.00 52.55 52.22 1xd4 s ASP 775 Cb -0.59 0.51 0.50 0.00 -1.46 0.00 0.00 42.92 41.88 1xd4 s ASP 775 CO 0.40 -0.96 1.74 0.25 0.52 0.00 0.00 175.17 177.12 1xd4 h LEU 776 N 2.00 0.38 0.00 -1.34 5.85 -1.93 -2.37 115.31 117.90 1xd4 h LEU 776 Ca -0.26 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1xd4 h LEU 776 Cb 1.23 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1xd4 h LEU 776 CO 0.29 0.14 -0.77 0.18 -0.34 0.00 0.00 178.44 177.95 1xd4 n LEU 777 N -4.95 0.69 -0.01 2.25 4.77 -1.26 -4.30 117.00 114.18 1xd4 n LEU 777 Ca 0.16 -0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1xd4 n LEU 777 Cb 0.43 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 1xd4 n LEU 777 CO 0.19 0.15 -0.62 0.35 -1.33 0.00 0.00 177.39 176.13 1xd4 n THR 778 N -1.58 1.07 -2.79 -5.08 -2.24 -1.08 -4.78 114.28 97.79 1xd4 n THR 778 Ca 0.04 -0.71 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 1xd4 n THR 778 Cb 0.35 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1xd4 n THR 778 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xd4 s LEU 779 N -5.50 3.85 0.12 3.22 1.43 -0.91 -1.34 118.68 119.54 1xd4 s LEU 779 Ca -0.06 1.38 -0.31 0.00 -1.03 0.00 0.00 54.13 54.12 1xd4 s LEU 779 Cb 0.09 -4.25 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 1xd4 s LEU 779 CO 0.83 -0.40 1.29 -2.28 0.23 0.00 0.00 176.35 176.03 1xd4 s HIS 780 N -2.32 3.33 0.42 0.29 5.65 -1.26 -4.83 115.29 116.58 1xd4 s HIS 780 Ca 0.56 1.17 0.13 0.00 0.25 0.00 0.00 55.06 57.17 1xd4 s HIS 780 Cb -0.10 -3.55 0.99 0.00 -1.18 0.00 0.00 32.58 28.73 1xd4 s HIS 780 CO 0.25 -1.80 1.96 -1.00 -0.65 0.00 0.00 174.74 173.50 1xd4 h PRO 781 N 6.34 0.45 -0.34 2.88 0.13 -1.88 -0.98 132.00 138.60 1xd4 h PRO 781 Ca -0.43 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1xd4 h PRO 781 Cb 1.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1xd4 h PRO 781 CO 0.82 0.30 0.10 0.82 -0.23 0.00 0.00 178.00 179.80 1xd4 h ILE 782 N 0.47 1.21 0.00 -3.56 2.04 -1.91 -2.19 117.51 113.57 1xd4 h ILE 782 Ca 0.31 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 1xd4 h ILE 782 Cb 0.57 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1xd4 h ILE 782 CO -0.09 0.24 -0.46 -0.08 0.00 0.00 0.00 178.15 177.76 1xd4 h GLU 783 N 0.40 0.00 0.16 2.37 4.57 -1.58 -1.51 114.58 119.00 1xd4 h GLU 783 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1xd4 h GLU 783 Cb 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1xd4 h GLU 783 CO -0.00 0.46 -0.08 0.82 -1.18 0.00 0.00 179.01 179.03 1xd4 h ILE 784 N 0.00 0.93 -0.85 2.32 2.04 -0.99 -0.47 117.51 120.48 1xd4 h ILE 784 Ca -0.00 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1xd4 h ILE 784 Cb 0.84 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1xd4 h ILE 784 CO 0.06 0.09 0.56 0.00 0.00 0.00 0.00 178.15 178.86 1xd4 h ALA 785 N 0.40 1.11 0.22 1.87 0.00 -1.27 -1.23 119.26 120.36 1xd4 h ALA 785 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xd4 h ALA 785 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xd4 h ALA 785 CO 0.04 0.43 -0.11 0.00 0.00 0.00 0.00 179.25 179.61 1xd4 h ARG 786 N 1.10 -0.29 -0.86 0.00 3.08 -1.13 -0.80 114.38 115.49 1xd4 h ARG 786 Ca 0.33 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 1xd4 h ARG 786 Cb -0.04 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1xd4 h ARG 786 CO -0.10 -0.01 0.44 1.96 -1.07 0.00 0.00 179.97 181.20 1xd4 h GLN 787 N -0.56 1.21 -0.04 0.04 1.08 -1.02 -0.42 115.11 115.41 1xd4 h GLN 787 Ca -0.03 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 56.92 1xd4 h GLN 787 Cb 0.41 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1xd4 h GLN 787 CO 0.05 0.91 -0.40 -0.07 -0.95 0.00 0.00 178.83 178.37 1xd4 h LEU 788 N 1.21 0.08 -0.45 1.46 3.38 -1.23 -0.79 115.31 118.98 1xd4 h LEU 788 Ca 0.30 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 1xd4 h LEU 788 Cb 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xd4 h LEU 788 CO -0.04 0.48 -0.59 0.74 0.09 0.00 0.00 178.44 179.12 1xd4 h THR 789 N 0.07 1.32 -0.26 0.22 2.02 0.01 0.21 112.91 116.50 1xd4 h THR 789 Ca 0.00 -1.86 -0.04 0.00 0.77 0.00 0.00 66.41 65.29 1xd4 h THR 789 Cb 0.75 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1xd4 h THR 789 CO 0.06 0.58 0.01 -0.07 0.37 0.00 0.00 175.52 176.47 1xd4 h LEU 790 N 0.44 0.43 0.27 2.58 3.38 -0.84 0.15 115.31 121.72 1xd4 h LEU 790 Ca -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1xd4 h LEU 790 Cb 1.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1xd4 h LEU 790 CO 0.11 0.62 -0.19 0.25 0.09 0.00 0.00 178.44 179.32 1xd4 h LEU 791 N 0.23 -0.47 -1.52 1.67 5.85 -1.01 -1.59 115.31 118.48 1xd4 h LEU 791 Ca 0.07 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1xd4 h LEU 791 Cb 0.39 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1xd4 h LEU 791 CO 0.01 -0.29 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.24 1xd4 h GLU 792 N -0.45 0.00 -0.17 1.25 5.08 -0.50 -2.17 114.58 117.61 1xd4 h GLU 792 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1xd4 h GLU 792 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xd4 h GLU 792 CO 0.01 0.25 -0.15 1.03 -1.00 0.00 0.00 179.01 179.15 1xd4 h SER 793 N 0.00 0.44 -0.65 1.42 0.87 -0.39 -2.17 113.55 113.06 1xd4 h SER 793 Ca -0.00 -0.46 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 1xd4 h SER 793 Cb 0.50 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1xd4 h SER 793 CO 0.03 0.81 0.24 0.44 -0.53 0.00 0.00 176.83 177.82 1xd4 h ASP 794 N 0.07 0.94 -0.59 6.23 3.32 -0.96 -0.26 116.42 125.17 1xd4 h ASP 794 Ca 0.03 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1xd4 h ASP 794 Cb 0.68 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1xd4 h ASP 794 CO 0.04 0.86 0.12 -0.07 -1.72 0.00 0.00 179.24 178.46 1xd4 h LEU 795 N 0.99 0.91 -0.35 1.55 3.38 -1.36 -2.38 115.31 118.06 1xd4 h LEU 795 Ca 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1xd4 h LEU 795 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xd4 h LEU 795 CO -0.01 0.93 0.13 0.22 0.09 0.00 0.00 178.44 179.79 1xd4 h TYR 796 N 0.86 0.54 0.00 1.13 3.20 -1.01 -2.69 116.97 119.00 1xd4 h TYR 796 Ca 0.18 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1xd4 h TYR 796 Cb 0.38 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1xd4 h TYR 796 CO 0.03 0.51 0.00 0.00 -1.64 0.00 0.00 178.16 177.06 1xd4 h ARG 797 N 0.41 0.00 -0.01 1.82 3.08 -0.97 -2.87 114.38 115.84 1xd4 h ARG 797 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1xd4 h ARG 797 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1xd4 h ARG 797 CO -0.01 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.80 1xd4 n ALA 798 N -1.99 2.76 -2.66 0.04 0.00 -0.90 -4.85 120.51 112.91 1xd4 n ALA 798 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1xd4 n ALA 798 Cb 0.21 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1xd4 n ALA 798 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xd4 s VAL 799 N -2.20 4.73 0.21 0.00 1.01 -1.09 -4.86 120.40 118.20 1xd4 s VAL 799 Ca 0.33 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 1xd4 s VAL 799 Cb 0.20 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1xd4 s VAL 799 CO 0.41 -0.12 0.43 -1.10 0.00 0.00 0.00 175.10 174.72 1xd4 s GLN 800 N 2.90 3.57 0.34 2.72 -1.52 -1.26 -5.01 119.66 121.40 1xd4 s GLN 800 Ca 0.43 -0.20 0.06 0.00 -1.95 0.00 0.00 55.36 53.70 1xd4 s GLN 800 Cb -0.16 -2.79 0.71 0.00 -0.22 0.00 0.00 33.01 30.56 1xd4 s GLN 800 CO 0.08 0.36 1.91 -1.35 -0.25 0.00 0.00 175.29 176.05 1xd4 h PRO 801 N 2.08 0.78 -0.18 2.91 0.11 -1.97 -1.65 132.00 134.07 1xd4 h PRO 801 Ca -0.47 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1xd4 h PRO 801 Cb 1.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xd4 h PRO 801 CO 0.68 0.52 0.27 0.66 -0.21 0.00 0.00 178.00 179.92 1xd4 h SER 802 N 0.80 0.00 1.07 -2.05 4.64 -1.94 0.40 113.55 116.47 1xd4 h SER 802 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1xd4 h SER 802 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xd4 h SER 802 CO -0.15 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.19 1xd4 n GLU 803 N -3.52 0.05 -0.07 4.77 1.02 -0.62 -4.21 120.64 118.05 1xd4 n GLU 803 Ca 0.02 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 1xd4 n GLU 803 Cb 0.38 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1xd4 n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xd4 n LEU 804 N -1.63 2.12 -4.70 -4.62 4.32 0.13 -4.00 117.00 108.62 1xd4 n LEU 804 Ca 0.07 0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.67 1xd4 n LEU 804 Cb 0.35 -0.46 -0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1xd4 n LEU 804 CO 0.27 0.54 0.89 0.52 -1.22 0.00 0.00 177.39 178.40 1xd4 n VAL 805 N -3.24 2.05 -0.97 4.08 0.31 -0.62 -1.54 118.33 118.40 1xd4 n VAL 805 Ca -0.26 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 1xd4 n VAL 805 Cb 0.73 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1xd4 n VAL 805 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xd4 n GLY 806 N 0.78 0.43 2.50 2.92 0.00 -1.26 -3.57 105.19 106.99 1xd4 n GLY 806 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1xd4 n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xd4 n SER 807 N -0.22 -4.98 0.33 1.61 7.64 -0.59 -4.87 113.62 112.54 1xd4 n SER 807 Ca 0.00 0.04 0.20 0.00 1.01 0.00 0.00 58.87 60.12 1xd4 n SER 807 Cb 0.11 -4.16 1.07 0.00 -1.01 0.00 0.00 64.21 60.22 1xd4 n SER 807 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1xd4 h VAL 808 N -0.14 0.06 0.00 0.44 -1.51 -1.69 -2.04 116.25 111.37 1xd4 h VAL 808 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1xd4 h VAL 808 Cb 1.30 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1xd4 h VAL 808 CO 0.48 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 174.15 1xd4 n TRP 809 N -3.13 0.00 0.77 5.19 2.14 -1.26 -2.58 117.44 118.57 1xd4 n TRP 809 Ca -0.02 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.63 1xd4 n TRP 809 Cb 0.17 -0.45 0.03 0.00 -0.81 0.00 0.00 31.31 30.26 1xd4 n TRP 809 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xd4 n THR 810 N -1.45 0.00 -2.98 -1.67 -2.24 -0.77 -4.79 114.28 100.39 1xd4 n THR 810 Ca 0.06 -0.40 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 1xd4 n THR 810 Cb 0.22 1.28 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1xd4 n THR 810 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xd4 s LYS 811 N -1.80 2.86 0.51 -0.78 -0.14 -1.07 -4.99 119.74 114.34 1xd4 s LYS 811 Ca 0.17 -0.83 0.29 0.00 -1.36 0.00 0.00 55.97 54.24 1xd4 s LYS 811 Cb 0.15 -2.63 1.42 0.00 -1.68 0.00 0.00 37.83 35.08 1xd4 s LYS 811 CO 0.35 -0.35 1.87 0.93 -0.76 0.00 0.00 175.35 177.39 1xd4 h GLU 812 N 0.44 0.07 -0.65 1.68 5.08 -1.95 -0.73 114.58 118.53 1xd4 h GLU 812 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1xd4 h GLU 812 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1xd4 h GLU 812 CO 0.52 0.05 0.00 -0.25 -1.00 0.00 0.00 179.01 178.33 1xd4 n ASP 813 N -4.31 4.72 -0.27 1.42 8.00 -1.26 -4.62 116.55 120.23 1xd4 n ASP 813 Ca 0.20 -2.67 0.17 0.00 0.71 0.00 0.00 54.79 53.20 1xd4 n ASP 813 Cb 0.95 -0.62 0.46 0.00 -0.02 0.00 0.00 41.12 41.89 1xd4 n ASP 813 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1xd4 h LYS 814 N 3.36 0.49 -0.01 -1.24 2.10 -1.24 0.63 116.57 120.66 1xd4 h LYS 814 Ca 0.00 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1xd4 h LYS 814 Cb 1.61 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.82 1xd4 h LYS 814 CO 0.36 0.32 -0.26 0.93 -2.00 0.00 0.00 179.45 178.80 1xd4 h GLU 815 N 0.50 0.02 0.12 0.07 4.39 -1.85 0.45 114.58 118.28 1xd4 h GLU 815 Ca 0.49 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.92 1xd4 h GLU 815 Cb 1.08 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1xd4 h GLU 815 CO -0.22 0.28 -1.32 0.82 -1.16 0.00 0.00 179.01 177.41 1xd4 h ILE 816 N 0.02 1.11 0.00 3.13 2.04 -1.32 -3.32 117.51 119.16 1xd4 h ILE 816 Ca 0.00 -2.42 -0.10 0.00 1.00 0.00 0.00 64.86 63.33 1xd4 h ILE 816 Cb 0.47 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1xd4 h ILE 816 CO 0.03 0.70 -0.89 0.78 0.00 0.00 0.00 178.15 178.78 1xd4 h ASN 817 N -0.32 0.00 -0.79 1.72 2.35 -0.94 -3.39 115.58 114.21 1xd4 h ASN 817 Ca -0.28 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.06 1xd4 h ASN 817 Cb 1.74 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.70 1xd4 h ASN 817 CO 0.07 0.41 -0.98 -1.20 -1.65 0.00 0.00 177.43 174.09 1xd4 n SER 818 N -3.00 3.10 -0.23 5.81 7.64 0.16 -4.18 113.62 122.92 1xd4 n SER 818 Ca -0.03 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1xd4 n SER 818 Cb 0.73 -0.44 0.12 0.00 -1.01 0.00 0.00 64.21 63.61 1xd4 n SER 818 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1xd4 h PRO 819 N 2.53 0.55 -0.31 1.43 0.13 -1.67 -1.09 132.00 133.57 1xd4 h PRO 819 Ca 0.10 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1xd4 h PRO 819 Cb 1.29 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1xd4 h PRO 819 CO 0.52 0.37 -0.38 -0.91 -0.23 0.00 0.00 178.00 177.36 1xd4 h ASN 820 N 0.57 0.77 -0.31 1.44 2.35 -1.91 -0.69 115.58 117.79 1xd4 h ASN 820 Ca 0.33 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1xd4 h ASN 820 Cb 0.34 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1xd4 h ASN 820 CO -0.26 1.07 0.13 0.25 -1.65 0.00 0.00 177.43 176.97 1xd4 h LEU 821 N 0.60 0.42 -1.00 1.61 5.85 -1.81 -1.64 115.31 119.34 1xd4 h LEU 821 Ca 0.05 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1xd4 h LEU 821 Cb 0.92 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1xd4 h LEU 821 CO 0.08 0.47 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.35 1xd4 h LEU 822 N 0.35 0.45 -0.54 2.25 3.38 -1.12 -1.76 115.31 118.32 1xd4 h LEU 822 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xd4 h LEU 822 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1xd4 h LEU 822 CO -0.01 0.68 0.29 0.11 0.09 0.00 0.00 178.44 179.60 1xd4 h LYS 823 N 0.41 0.76 -0.05 1.13 1.57 -0.80 -0.49 116.57 119.09 1xd4 h LYS 823 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xd4 h LYS 823 Cb 0.62 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1xd4 h LYS 823 CO 0.04 0.60 0.03 1.98 -0.57 0.00 0.00 179.45 181.53 1xd4 h MET 824 N 0.73 0.07 -0.64 3.15 4.05 -0.82 -1.65 114.93 119.81 1xd4 h MET 824 Ca 0.19 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1xd4 h MET 824 Cb 0.06 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 1xd4 h MET 824 CO -0.03 0.06 0.32 0.82 0.23 0.00 0.00 176.91 178.32 1xd4 h ILE 825 N 0.05 1.21 -0.29 1.77 2.04 -1.22 -2.30 117.51 118.78 1xd4 h ILE 825 Ca 0.02 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1xd4 h ILE 825 Cb 0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1xd4 h ILE 825 CO -0.00 0.24 -0.03 0.03 0.00 0.00 0.00 178.15 178.39 1xd4 h ARG 826 N 0.87 0.45 -0.41 2.37 3.08 -0.95 -1.16 114.38 118.64 1xd4 h ARG 826 Ca 0.22 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 1xd4 h ARG 826 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xd4 h ARG 826 CO -0.03 0.50 -0.05 1.25 -1.07 0.00 0.00 179.97 180.57 1xd4 h HIS 827 N 0.43 0.84 -0.46 3.04 2.76 -0.98 -1.22 115.15 119.56 1xd4 h HIS 827 Ca 0.09 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1xd4 h HIS 827 Cb 0.33 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1xd4 h HIS 827 CO 0.01 0.86 0.26 1.15 -1.30 0.00 0.00 177.93 178.91 1xd4 h THR 828 N 0.58 1.16 -0.40 6.26 2.02 -0.90 -1.58 112.91 120.04 1xd4 h THR 828 Ca 0.11 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1xd4 h THR 828 Cb 0.56 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1xd4 h THR 828 CO 0.03 0.16 0.18 0.74 0.37 0.00 0.00 175.52 177.00 1xd4 h THR 829 N 0.61 1.19 -0.56 3.16 2.02 -1.13 -1.87 112.91 116.33 1xd4 h THR 829 Ca 0.16 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1xd4 h THR 829 Cb 0.03 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1xd4 h THR 829 CO -0.03 0.21 0.27 0.78 0.37 0.00 0.00 175.52 177.12 1xd4 h ASN 830 N 0.51 0.70 0.30 4.18 4.21 -1.00 -1.67 115.58 122.81 1xd4 h ASN 830 Ca 0.14 -0.06 -0.19 0.00 1.21 0.00 0.00 56.30 57.39 1xd4 h ASN 830 Cb 0.16 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1xd4 h ASN 830 CO -0.01 0.59 -0.79 0.25 -1.29 0.00 0.00 177.43 176.18 1xd4 h LEU 831 N 0.78 0.48 -0.56 1.61 5.85 -1.05 -1.72 115.31 120.69 1xd4 h LEU 831 Ca 0.20 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1xd4 h LEU 831 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1xd4 h LEU 831 CO -0.03 1.09 0.09 0.74 -0.34 0.00 0.00 178.44 179.99 1xd4 h THR 832 N 0.25 1.26 -0.30 1.05 2.02 -0.91 -1.90 112.91 114.38 1xd4 h THR 832 Ca -0.04 -0.98 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 1xd4 h THR 832 Cb 1.38 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1xd4 h THR 832 CO 0.13 0.36 -0.35 -0.07 0.37 0.00 0.00 175.52 175.96 1xd4 h LEU 833 N 0.83 0.70 -0.68 2.58 3.38 -1.28 -2.15 115.31 118.69 1xd4 h LEU 833 Ca 0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1xd4 h LEU 833 Cb 0.42 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xd4 h LEU 833 CO 0.01 0.99 0.38 -0.25 0.09 0.00 0.00 178.44 179.66 1xd4 h TRP 834 N 0.56 0.92 -0.62 1.13 7.01 -1.07 0.14 115.95 124.03 1xd4 h TRP 834 Ca 0.06 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1xd4 h TRP 834 Cb 0.87 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 1xd4 h TRP 834 CO 0.04 0.65 0.33 0.74 -2.79 0.00 0.00 178.44 177.41 1xd4 h PHE 835 N 0.93 0.87 -0.57 2.65 0.04 -1.16 -0.52 116.94 119.18 1xd4 h PHE 835 Ca 0.24 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1xd4 h PHE 835 Cb 0.03 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 1xd4 h PHE 835 CO -0.01 0.64 0.26 0.93 -0.60 0.00 0.00 178.31 179.53 1xd4 h GLU 836 N 0.85 0.83 -0.46 1.51 5.08 -0.90 -2.48 114.58 119.00 1xd4 h GLU 836 Ca 0.22 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1xd4 h GLU 836 Cb 0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1xd4 h GLU 836 CO -0.03 0.69 0.09 -0.22 -1.00 0.00 0.00 179.01 178.54 1xd4 h LYS 837 N 0.77 0.75 -0.89 2.33 3.64 -0.50 -2.14 116.57 120.54 1xd4 h LYS 837 Ca 0.19 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1xd4 h LYS 837 Cb 0.15 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1xd4 h LYS 837 CO -0.02 0.76 0.59 0.00 -2.27 0.00 0.00 179.45 178.50 1xd4 h ILE 839 N 1.12 0.26 0.00 0.00 2.04 -1.23 -3.25 117.51 116.44 1xd4 h ILE 839 Ca 0.35 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xd4 h ILE 839 Cb 0.02 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1xd4 h ILE 839 CO -0.11 0.06 0.00 -0.37 0.00 0.00 0.00 178.15 177.73 1xd4 h VAL 840 N -1.06 0.00 -0.01 1.67 -1.51 -1.40 -2.33 116.25 111.62 1xd4 h VAL 840 Ca -0.05 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1xd4 h VAL 840 Cb 0.49 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1xd4 h VAL 840 CO 0.09 0.00 -0.13 -0.62 -1.23 0.00 0.00 177.57 175.68 1xd4 n GLU 841 N -3.04 0.92 -3.29 5.19 1.02 -0.68 -4.42 120.64 116.34 1xd4 n GLU 841 Ca 0.01 -0.42 -0.46 0.00 -0.02 0.00 0.00 57.16 56.26 1xd4 n GLU 841 Cb 0.30 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1xd4 n GLU 841 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xd4 s THR 842 N -2.37 5.61 0.23 2.62 2.01 -0.88 -4.90 115.64 117.96 1xd4 s THR 842 Ca 0.30 -2.57 -0.06 0.00 0.31 0.00 0.00 61.69 59.68 1xd4 s THR 842 Cb 0.20 -4.52 0.14 0.00 0.01 0.00 0.00 72.50 68.33 1xd4 s THR 842 CO 0.46 -1.10 1.78 -0.33 -0.69 0.00 0.00 174.62 174.73 1xd4 h GLU 843 N 7.66 1.06 -6.49 4.92 5.08 -1.82 -3.39 114.58 121.60 1xd4 h GLU 843 Ca 0.13 -0.22 -0.53 0.00 -1.00 0.00 0.00 59.36 57.74 1xd4 h GLU 843 Cb 1.01 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 30.13 1xd4 h GLU 843 CO 0.83 0.91 0.96 1.21 -1.00 0.00 0.00 179.01 181.91 1xd4 s ASN 844 N -6.47 6.61 0.13 1.42 3.84 -1.26 -4.67 114.94 114.54 1xd4 s ASN 844 Ca -0.11 2.50 -0.24 0.00 0.21 0.00 0.00 52.86 55.21 1xd4 s ASN 844 Cb 0.15 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.25 1xd4 s ASN 844 CO 0.83 -0.86 1.64 0.25 -2.79 0.00 0.00 177.10 176.18 1xd4 h LEU 845 N 8.10 -0.67 -0.64 3.21 5.85 -1.86 -0.48 115.31 128.82 1xd4 h LEU 845 Ca -0.42 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1xd4 h LEU 845 Cb 1.20 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 1xd4 h LEU 845 CO 0.92 -0.28 0.36 -0.08 -0.34 0.00 0.00 178.44 179.02 1xd4 h GLU 846 N -0.32 0.65 -0.52 1.25 4.81 -1.96 -0.21 114.58 118.27 1xd4 h GLU 846 Ca 0.08 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1xd4 h GLU 846 Cb 0.43 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1xd4 h GLU 846 CO -0.24 0.43 -0.14 0.93 -0.73 0.00 0.00 179.01 179.26 1xd4 h GLU 847 N 0.67 1.02 -0.71 1.92 5.08 -1.88 -2.43 114.58 118.25 1xd4 h GLU 847 Ca 0.28 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xd4 h GLU 847 Cb 0.14 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1xd4 h GLU 847 CO -0.16 1.08 0.35 -0.09 -1.00 0.00 0.00 179.01 179.19 1xd4 h ARG 848 N 0.89 0.99 -0.76 2.33 2.43 -0.60 -0.08 114.38 119.59 1xd4 h ARG 848 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xd4 h ARG 848 Cb 0.71 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1xd4 h ARG 848 CO 0.05 0.76 0.44 0.28 -1.51 0.00 0.00 179.97 179.99 1xd4 h VAL 849 N 0.99 1.22 -0.32 0.20 2.07 -0.80 0.11 116.25 119.72 1xd4 h VAL 849 Ca 0.25 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1xd4 h VAL 849 Cb 0.08 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1xd4 h VAL 849 CO -0.03 0.24 -0.08 0.00 0.02 0.00 0.00 177.57 177.72 1xd4 h ALA 850 N 1.23 1.27 -0.11 1.67 0.00 -0.74 -0.63 119.26 121.95 1xd4 h ALA 850 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xd4 h ALA 850 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xd4 h ALA 850 CO -0.05 0.48 -0.09 0.28 0.00 0.00 0.00 179.25 179.87 1xd4 h VAL 851 N 0.49 1.35 -0.61 0.00 2.07 -0.17 -1.77 116.25 117.62 1xd4 h VAL 851 Ca 0.10 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1xd4 h VAL 851 Cb 0.44 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1xd4 h VAL 851 CO 0.02 0.35 0.40 0.58 0.02 0.00 0.00 177.57 178.94 1xd4 h VAL 852 N -0.14 1.16 -0.63 2.57 2.07 -0.55 -2.04 116.25 118.68 1xd4 h VAL 852 Ca 0.02 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xd4 h VAL 852 Cb 0.60 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1xd4 h VAL 852 CO 0.02 0.15 0.41 -1.28 0.02 0.00 0.00 177.57 176.89 1xd4 h SER 853 N 0.82 0.70 -0.60 0.57 0.87 -1.12 -0.98 113.55 113.81 1xd4 h SER 853 Ca 0.22 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1xd4 h SER 853 Cb -0.10 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1xd4 h SER 853 CO -0.05 0.50 0.28 -0.09 -0.53 0.00 0.00 176.83 176.94 1xd4 h ARG 854 N 0.83 0.88 -0.83 2.24 9.65 -0.96 -1.52 114.38 124.66 1xd4 h ARG 854 Ca 0.24 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1xd4 h ARG 854 Cb -0.07 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.32 1xd4 h ARG 854 CO -0.06 0.72 0.40 0.82 2.80 0.00 0.00 179.97 184.65 1xd4 h ILE 855 N 0.83 1.26 -0.20 1.20 2.04 -0.91 -0.96 117.51 120.76 1xd4 h ILE 855 Ca 0.21 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1xd4 h ILE 855 Cb 0.14 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1xd4 h ILE 855 CO -0.02 0.31 -0.17 0.40 0.00 0.00 0.00 178.15 178.67 1xd4 h ILE 856 N 1.18 1.22 -0.28 -0.67 2.04 -0.83 -1.12 117.51 119.05 1xd4 h ILE 856 Ca 0.29 -0.98 -0.12 0.00 1.00 0.00 0.00 64.86 65.04 1xd4 h ILE 856 Cb 0.12 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1xd4 h ILE 856 CO -0.04 0.31 -0.32 -0.33 0.00 0.00 0.00 178.15 177.77 1xd4 h GLU 857 N 0.32 0.60 -0.74 2.37 5.08 -0.43 -1.13 114.58 120.65 1xd4 h GLU 857 Ca 0.06 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1xd4 h GLU 857 Cb 0.48 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1xd4 h GLU 857 CO 0.03 0.85 0.26 0.82 -1.00 0.00 0.00 179.01 179.97 1xd4 h ILE 858 N 0.51 1.26 -0.62 3.13 2.04 -0.64 -1.88 117.51 121.31 1xd4 h ILE 858 Ca 0.06 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1xd4 h ILE 858 Cb 0.81 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1xd4 h ILE 858 CO 0.07 0.34 0.35 0.25 0.00 0.00 0.00 178.15 179.16 1xd4 h LEU 859 N 1.10 0.53 -1.03 1.44 5.85 -0.66 -1.14 115.31 121.40 1xd4 h LEU 859 Ca 0.24 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1xd4 h LEU 859 Cb 0.27 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1xd4 h LEU 859 CO -0.01 0.36 0.65 -0.61 -0.34 0.00 0.00 178.44 178.48 1xd4 h GLN 860 N 0.67 1.21 -0.13 1.25 4.15 -0.45 -1.47 115.11 120.34 1xd4 h GLN 860 Ca 0.27 -0.07 -0.17 0.00 0.77 0.00 0.00 58.65 59.44 1xd4 h GLN 860 Cb 0.13 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1xd4 h GLN 860 CO -0.16 0.80 -0.64 0.28 -1.93 0.00 0.00 178.83 177.18 1xd4 h VAL 861 N 1.24 1.35 -0.69 2.39 2.07 -0.77 -2.67 116.25 119.17 1xd4 h VAL 861 Ca 0.40 -1.96 0.04 0.00 0.82 0.00 0.00 66.70 65.99 1xd4 h VAL 861 Cb 0.02 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1xd4 h VAL 861 CO -0.13 0.60 0.42 -0.26 0.02 0.00 0.00 177.57 178.22 1xd4 h PHE 862 N 0.35 0.78 -0.65 1.57 0.04 -0.42 -0.89 116.94 117.72 1xd4 h PHE 862 Ca -0.01 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1xd4 h PHE 862 Cb 1.20 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1xd4 h PHE 862 CO 0.05 0.42 0.20 0.37 -0.60 0.00 0.00 178.31 178.75 1xd4 h GLN 863 N 0.80 1.02 -0.09 1.51 4.15 -1.22 0.11 115.11 121.39 1xd4 h GLN 863 Ca 0.29 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1xd4 h GLN 863 Cb 0.07 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1xd4 h GLN 863 CO -0.13 0.89 -0.21 0.93 -1.93 0.00 0.00 178.83 178.39 1xd4 h GLU 864 N 0.95 0.16 -0.04 1.69 5.08 -1.05 -2.27 114.58 119.09 1xd4 h GLU 864 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xd4 h GLU 864 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xd4 h GLU 864 CO -0.01 0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.65 1xd4 n LEU 865 N -4.23 1.46 -2.45 1.33 4.77 -0.40 -4.92 117.00 112.56 1xd4 n LEU 865 Ca -0.01 -0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 55.25 1xd4 n LEU 865 Cb 0.31 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1xd4 n LEU 865 CO 0.38 0.26 -0.14 0.59 -1.33 0.00 0.00 177.39 177.15 1xd4 n ASN 866 N 0.15 -5.65 -4.40 -1.43 3.02 -0.54 -4.49 115.26 101.93 1xd4 n ASN 866 Ca 0.19 -0.13 -0.45 0.00 -0.03 0.00 0.00 54.58 54.16 1xd4 n ASN 866 Cb 0.34 -4.60 -0.01 0.00 -0.61 0.00 0.00 39.78 34.90 1xd4 n ASN 866 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xd4 s ASN 867 N -2.39 7.03 0.31 6.41 3.84 0.27 -1.30 114.94 129.11 1xd4 s ASN 867 Ca 0.12 -2.98 0.03 0.00 0.21 0.00 0.00 52.86 50.24 1xd4 s ASN 867 Cb -0.05 -2.30 0.52 0.00 -0.55 0.00 0.00 41.25 38.86 1xd4 s ASN 867 CO 0.15 -0.61 1.83 -0.26 -2.79 0.00 0.00 177.10 175.42 1xd4 h PHE 868 N 7.39 0.61 -0.48 0.43 0.04 -1.75 -1.43 116.94 121.75 1xd4 h PHE 868 Ca 0.21 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1xd4 h PHE 868 Cb 0.93 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 1xd4 h PHE 868 CO 0.99 0.61 0.29 -0.97 -0.60 0.00 0.00 178.31 178.63 1xd4 h ASN 869 N 0.55 0.57 -0.41 2.17 -1.24 -1.67 -0.76 115.58 114.79 1xd4 h ASN 869 Ca 0.11 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1xd4 h ASN 869 Cb 0.40 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1xd4 h ASN 869 CO 0.02 0.45 0.24 1.23 -1.29 0.00 0.00 177.43 178.07 1xd4 h GLY 870 N 0.64 0.60 0.55 1.57 0.00 -1.73 -1.44 103.07 103.26 1xd4 h GLY 870 Ca 0.17 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.30 1xd4 h GLY 870 CO -0.03 0.25 0.08 -2.08 0.00 0.00 0.00 176.54 174.76 1xd4 h VAL 871 N 0.54 0.82 0.00 4.60 2.07 -0.93 -2.02 116.25 121.32 1xd4 h VAL 871 Ca 0.15 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1xd4 h VAL 871 Cb 0.02 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xd4 h VAL 871 CO -0.03 0.04 -0.32 -0.07 0.02 0.00 0.00 177.57 177.22 1xd4 h LEU 872 N 0.21 0.00 -0.63 2.57 3.38 -0.92 -1.78 115.31 118.15 1xd4 h LEU 872 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1xd4 h LEU 872 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1xd4 h LEU 872 CO -0.23 0.32 0.10 -0.33 0.09 0.00 0.00 178.44 178.39 1xd4 h GLU 873 N 0.00 1.04 -0.17 1.13 5.08 -0.54 0.49 114.58 121.62 1xd4 h GLU 873 Ca -0.00 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1xd4 h GLU 873 Cb 0.71 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1xd4 h GLU 873 CO 0.04 0.97 -0.03 0.28 -1.00 0.00 0.00 179.01 179.27 1xd4 h VAL 874 N 0.96 1.28 -0.45 3.13 2.07 -1.21 -2.31 116.25 119.72 1xd4 h VAL 874 Ca 0.19 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1xd4 h VAL 874 Cb 0.44 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1xd4 h VAL 874 CO 0.01 0.29 0.26 0.58 0.02 0.00 0.00 177.57 178.73 1xd4 h VAL 875 N 0.04 1.03 -0.69 2.57 2.07 -1.15 -0.17 116.25 119.96 1xd4 h VAL 875 Ca 0.04 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xd4 h VAL 875 Cb 0.46 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1xd4 h VAL 875 CO 0.02 0.09 0.46 0.28 0.02 0.00 0.00 177.57 178.44 1xd4 h SER 876 N 0.52 0.77 -0.20 0.57 0.02 -0.88 -1.05 113.55 113.31 1xd4 h SER 876 Ca 0.18 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1xd4 h SER 876 Cb 0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1xd4 h SER 876 CO -0.09 0.55 -0.04 0.00 -1.14 0.00 0.00 176.83 176.11 1xd4 h ALA 877 N 1.58 0.27 0.00 3.77 0.00 -0.79 -2.21 119.26 121.88 1xd4 h ALA 877 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xd4 h ALA 877 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xd4 h ALA 877 CO -0.06 0.04 -0.07 0.52 0.00 0.00 0.00 179.25 179.68 1xd4 h MET 878 N 0.10 0.00 -0.50 0.00 2.86 -0.62 -2.79 114.93 113.99 1xd4 h MET 878 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1xd4 h MET 878 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1xd4 h MET 878 CO 0.02 0.07 0.00 0.09 1.06 0.00 0.00 176.91 178.15 1xd4 n ASN 879 N -3.33 3.45 -4.82 1.22 3.02 -0.43 -3.32 115.26 111.05 1xd4 n ASN 879 Ca -0.01 -1.96 -0.31 0.00 -0.03 0.00 0.00 54.58 52.26 1xd4 n ASN 879 Cb 0.25 -0.33 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1xd4 n ASN 879 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xd4 s SER 880 N -1.15 5.63 0.18 6.41 1.04 -0.85 -4.71 113.70 120.25 1xd4 s SER 880 Ca 0.38 1.65 -0.14 0.00 0.48 0.00 0.00 55.95 58.32 1xd4 s SER 880 Cb 0.21 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.97 1xd4 s SER 880 CO 0.28 -1.27 1.73 0.28 0.98 0.00 0.00 173.24 175.23 1xd4 h SER 881 N -0.29 0.04 -0.57 7.02 0.02 -1.91 0.22 113.55 118.09 1xd4 h SER 881 Ca -0.45 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1xd4 h SER 881 Cb 1.21 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 1xd4 h SER 881 CO 0.58 0.06 0.28 -0.65 -1.14 0.00 0.00 176.83 175.95 1xd4 h PRO 882 N 0.25 0.85 0.10 3.45 0.11 -1.92 -3.31 132.00 131.52 1xd4 h PRO 882 Ca 0.22 -0.11 -0.37 0.00 0.11 0.00 0.00 66.00 65.85 1xd4 h PRO 882 Cb 0.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1xd4 h PRO 882 CO -0.27 0.67 -2.07 0.28 -0.21 0.00 0.00 178.00 176.40 1xd4 n VAL 883 N -4.35 1.73 -0.23 3.15 0.31 -0.93 -4.33 118.33 113.69 1xd4 n VAL 883 Ca 0.05 -0.65 0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1xd4 n VAL 883 Cb 0.14 -1.64 0.58 0.00 -0.91 0.00 0.00 33.84 32.01 1xd4 n VAL 883 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1xd4 h TYR 884 N 0.06 0.37 -0.04 3.52 3.20 -0.57 -2.04 116.97 121.46 1xd4 h TYR 884 Ca -0.44 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1xd4 h TYR 884 Cb 2.02 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1xd4 h TYR 884 CO 0.07 0.09 0.00 2.89 -1.64 0.00 0.00 178.16 179.56 1xd4 n ARG 885 N -4.44 1.42 -1.84 1.82 1.85 -1.25 -4.63 116.66 109.60 1xd4 n ARG 885 Ca 0.19 -0.62 -0.42 0.00 -1.00 0.00 0.00 57.85 56.01 1xd4 n ARG 885 Cb 0.80 -1.44 -0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1xd4 n ARG 885 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1xd4 n LEU 886 N -0.22 7.17 -0.36 2.89 4.77 -0.77 -4.78 117.00 125.69 1xd4 n LEU 886 Ca 0.19 -4.35 0.06 0.00 -0.03 0.00 0.00 56.01 51.88 1xd4 n LEU 886 Cb 0.25 -1.58 0.22 0.00 -2.33 0.00 0.00 43.42 39.98 1xd4 n LEU 886 CO 0.15 1.38 1.24 0.44 -1.33 0.00 0.00 177.39 179.27 1xd4 h ASP 887 N 5.70 0.95 0.11 -1.43 3.32 -1.88 -1.62 116.42 121.58 1xd4 h ASP 887 Ca 0.58 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.63 1xd4 h ASP 887 Cb 0.56 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1xd4 h ASP 887 CO 1.78 0.53 -0.14 0.45 -1.72 0.00 0.00 179.24 180.14 1xd4 h HIS 888 N 1.03 0.08 0.08 4.55 3.86 -2.00 -1.62 115.15 121.13 1xd4 h HIS 888 Ca 0.48 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1xd4 h HIS 888 Cb 0.41 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1xd4 h HIS 888 CO -0.01 0.22 -0.04 1.15 0.86 0.00 0.00 177.93 180.12 1xd4 h THR 889 N 0.08 1.15 0.00 2.45 2.02 -1.70 -3.28 112.91 113.63 1xd4 h THR 889 Ca 0.02 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1xd4 h THR 889 Cb 0.30 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1xd4 h THR 889 CO 0.02 0.32 -0.06 -0.26 0.37 0.00 0.00 175.52 175.91 1xd4 h PHE 890 N -0.83 0.00 -0.12 3.16 0.04 -1.38 -2.33 116.94 115.48 1xd4 h PHE 890 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1xd4 h PHE 890 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1xd4 h PHE 890 CO 0.13 0.06 -0.16 0.93 -0.60 0.00 0.00 178.31 178.67 1xd4 h GLU 891 N 0.00 0.20 -0.01 1.51 5.08 -1.35 -2.67 114.58 117.34 1xd4 h GLU 891 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xd4 h GLU 891 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xd4 h GLU 891 CO 0.01 0.37 -0.16 1.04 -1.00 0.00 0.00 179.01 179.26 1xd4 n GLN 892 N -4.26 1.15 -2.49 2.33 6.02 -0.88 -4.88 117.38 114.37 1xd4 n GLN 892 Ca -0.01 -0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 55.89 1xd4 n GLN 892 Cb 0.28 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 1xd4 n GLN 892 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xd4 s ILE 893 N -2.32 4.13 0.46 5.09 -1.09 -1.01 -4.97 121.20 121.48 1xd4 s ILE 893 Ca 0.29 1.58 -0.25 0.00 -2.23 0.00 0.00 60.65 60.05 1xd4 s ILE 893 Cb 0.20 -4.01 -0.08 0.00 -1.58 0.00 0.00 42.46 36.98 1xd4 s ILE 893 CO 0.45 0.16 1.33 -0.81 -1.23 0.00 0.00 174.94 174.84 1xd4 n PRO 894 N 3.58 1.97 -0.32 2.79 -0.04 -1.26 -4.77 135.00 136.94 1xd4 n PRO 894 Ca 0.07 0.70 0.15 0.00 -0.04 0.00 0.00 63.50 64.38 1xd4 n PRO 894 Cb 0.47 -2.49 0.33 0.00 -0.04 0.00 0.00 33.50 31.78 1xd4 n PRO 894 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xd4 h SER 895 N 2.00 0.51 -0.85 3.54 0.87 -1.96 -0.84 113.55 116.82 1xd4 h SER 895 Ca -0.49 0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 1xd4 h SER 895 Cb 1.29 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 1xd4 h SER 895 CO 0.59 0.07 0.56 0.08 -0.53 0.00 0.00 176.83 177.61 1xd4 h ARG 896 N 0.51 1.02 -0.01 2.24 0.11 -2.00 -2.14 114.38 114.12 1xd4 h ARG 896 Ca 0.59 -0.06 -0.18 0.00 0.10 0.00 0.00 59.98 60.43 1xd4 h ARG 896 Cb 1.09 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 1xd4 h ARG 896 CO -0.49 0.68 -0.81 1.96 0.10 0.00 0.00 179.97 181.41 1xd4 h GLN 897 N 1.05 0.15 -0.70 0.08 4.20 -1.52 -2.62 115.11 115.76 1xd4 h GLN 897 Ca 0.34 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1xd4 h GLN 897 Cb 0.03 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1xd4 h GLN 897 CO -0.10 0.88 0.26 0.87 -0.67 0.00 0.00 178.83 180.07 1xd4 h LYS 898 N 0.09 1.04 -0.53 1.46 1.57 -0.98 -1.50 116.57 117.72 1xd4 h LYS 898 Ca -0.03 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 1xd4 h LYS 898 Cb 1.41 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1xd4 h LYS 898 CO 0.12 0.86 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.57 1xd4 h LYS 899 N 1.02 0.99 -0.22 3.15 3.64 -1.29 -0.11 116.57 123.74 1xd4 h LYS 899 Ca 0.23 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1xd4 h LYS 899 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1xd4 h LYS 899 CO -0.02 1.03 0.15 0.82 -2.27 0.00 0.00 179.45 179.16 1xd4 h ILE 900 N 0.86 1.06 -0.50 2.00 2.04 -1.08 0.45 117.51 122.34 1xd4 h ILE 900 Ca 0.14 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1xd4 h ILE 900 Cb 0.63 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1xd4 h ILE 900 CO 0.04 0.06 0.25 0.25 0.00 0.00 0.00 178.15 178.75 1xd4 h LEU 901 N 0.30 0.64 -0.76 1.44 5.85 -1.16 -2.11 115.31 119.50 1xd4 h LEU 901 Ca 0.08 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1xd4 h LEU 901 Cb -0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1xd4 h LEU 901 CO -0.02 0.57 0.39 -0.08 -0.34 0.00 0.00 178.44 178.97 1xd4 h GLU 902 N 0.66 1.08 -0.66 1.25 4.81 -0.63 -0.14 114.58 120.94 1xd4 h GLU 902 Ca 0.17 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1xd4 h GLU 902 Cb 0.09 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1xd4 h GLU 902 CO -0.02 0.82 0.10 0.93 -0.73 0.00 0.00 179.01 180.10 1xd4 h GLU 903 N 1.06 1.10 -0.40 1.92 4.39 -0.76 -1.07 114.58 120.82 1xd4 h GLU 903 Ca 0.27 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1xd4 h GLU 903 Cb 0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1xd4 h GLU 903 CO -0.04 1.02 0.11 0.00 -1.16 0.00 0.00 179.01 178.94 1xd4 h ALA 904 N 1.04 0.53 -0.49 3.43 0.00 -1.05 -2.52 119.26 120.20 1xd4 h ALA 904 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xd4 h ALA 904 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xd4 h ALA 904 CO 0.01 0.19 0.23 0.45 0.00 0.00 0.00 179.25 180.14 1xd4 h HIS 905 N 0.51 0.68 0.00 0.00 3.86 -0.78 -2.09 115.15 117.33 1xd4 h HIS 905 Ca 0.13 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1xd4 h HIS 905 Cb 0.29 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1xd4 h HIS 905 CO 0.01 0.50 0.00 0.93 0.86 0.00 0.00 177.93 180.24 1xd4 h GLU 906 N 0.69 0.00 -0.46 2.45 5.08 -0.74 -2.56 114.58 119.03 1xd4 h GLU 906 Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1xd4 h GLU 906 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xd4 h GLU 906 CO -0.02 0.00 0.15 -0.07 -1.00 0.00 0.00 179.01 178.07 1xd4 h LEU 907 N 0.00 0.62 0.00 1.33 3.38 -1.29 -2.91 115.31 116.44 1xd4 h LEU 907 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xd4 h LEU 907 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xd4 h LEU 907 CO 0.00 0.59 -0.46 0.77 0.09 0.00 0.00 178.44 179.43 1xd4 h SER 908 N 0.66 0.00 -4.16 -0.43 4.64 -1.62 -2.51 113.55 110.13 1xd4 h SER 908 Ca 0.16 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.90 1xd4 h SER 908 Cb 0.19 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.43 1xd4 h SER 908 CO -0.01 0.02 0.42 -1.61 -0.87 0.00 0.00 176.83 174.78 1xd4 s GLU 909 N -3.24 2.23 -1.36 4.77 2.02 -1.10 -1.31 118.70 120.70 1xd4 s GLU 909 Ca 0.05 1.82 -0.03 0.00 0.02 0.00 0.00 54.97 56.82 1xd4 s GLU 909 Cb 0.09 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.50 1xd4 s GLU 909 CO 0.71 -1.78 0.77 -3.47 0.02 0.00 0.00 175.26 171.51 1xd4 n ASP 910 N -2.54 -2.11 -3.32 -0.19 2.03 -1.26 -2.29 116.55 106.86 1xd4 n ASP 910 Ca 0.14 -0.81 -0.19 0.00 0.52 0.00 0.00 54.79 54.46 1xd4 n ASP 910 Cb 0.50 -4.03 0.08 0.00 -0.72 0.00 0.00 41.12 36.95 1xd4 n ASP 910 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1xd4 n HIS 911 N -4.39 -2.33 -2.06 -0.67 8.25 -1.23 -3.12 115.22 109.68 1xd4 n HIS 911 Ca -0.21 0.91 -0.20 0.00 -0.26 0.00 0.00 57.72 57.95 1xd4 n HIS 911 Cb 0.64 -4.84 -0.04 0.00 1.12 0.00 0.00 29.99 26.87 1xd4 n HIS 911 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xd4 n TYR 912 N -4.32 -0.57 -0.13 4.41 4.01 -0.43 -4.90 117.16 115.22 1xd4 n TYR 912 Ca -0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.55 1xd4 n TYR 912 Cb 0.61 -3.72 0.03 0.00 -0.31 0.00 0.00 39.34 35.96 1xd4 n TYR 912 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1xd4 h LYS 913 N 0.00 0.03 -0.26 -0.72 3.64 -1.47 -0.29 116.57 117.50 1xd4 h LYS 913 Ca -0.46 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 1xd4 h LYS 913 Cb 1.35 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1xd4 h LYS 913 CO 0.59 0.02 -0.41 0.87 -2.27 0.00 0.00 179.45 178.25 1xd4 h LYS 914 N 0.03 0.62 0.05 1.90 1.57 -1.79 -2.64 116.57 116.31 1xd4 h LYS 914 Ca 0.21 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1xd4 h LYS 914 Cb 0.32 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xd4 h LYS 914 CO -0.42 0.93 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.43 1xd4 h TYR 915 N 0.51 -0.09 -0.99 -1.35 3.20 -0.90 0.18 116.97 117.53 1xd4 h TYR 915 Ca 0.04 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1xd4 h TYR 915 Cb 0.93 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 1xd4 h TYR 915 CO 0.04 -0.06 0.63 -0.07 -1.64 0.00 0.00 178.16 177.06 1xd4 h LEU 916 N -0.08 0.97 -0.32 2.82 3.38 -1.02 0.19 115.31 121.24 1xd4 h LEU 916 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1xd4 h LEU 916 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xd4 h LEU 916 CO -0.00 0.58 -0.22 0.00 0.09 0.00 0.00 178.44 178.89 1xd4 h ALA 917 N 1.48 0.45 -0.33 1.53 0.00 -1.24 -2.88 119.26 118.27 1xd4 h ALA 917 Ca 0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xd4 h ALA 917 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xd4 h ALA 917 CO -0.21 0.41 0.10 -0.22 0.00 0.00 0.00 179.25 179.33 1xd4 h LYS 918 N 0.47 0.51 -0.01 0.00 1.63 -0.00 -2.29 116.57 116.88 1xd4 h LYS 918 Ca 0.06 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1xd4 h LYS 918 Cb 0.77 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1xd4 h LYS 918 CO 0.06 0.55 0.01 1.25 -3.45 0.00 0.00 179.45 177.87 1xd4 h LEU 919 N 0.38 0.00 0.00 5.20 5.85 -0.66 -1.44 115.31 124.64 1xd4 h LEU 919 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1xd4 h LEU 919 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1xd4 h LEU 919 CO -0.00 0.00 -0.58 0.54 -0.34 0.00 0.00 178.44 178.05 1xd4 n ARG 920 N -4.03 0.22 0.00 1.25 1.74 -0.99 -4.07 116.66 110.77 1xd4 n ARG 920 Ca -0.03 0.06 0.05 0.00 -0.77 0.00 0.00 57.85 57.17 1xd4 n ARG 920 Cb 0.09 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 1xd4 n ARG 920 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xd4 n SER 921 N -1.96 0.69 -4.27 0.55 3.41 -0.72 -5.03 113.62 106.29 1xd4 n SER 921 Ca 0.04 -0.84 -0.29 0.00 -0.26 0.00 0.00 58.87 57.52 1xd4 n SER 921 Cb 0.41 0.86 0.17 0.00 -0.26 0.00 0.00 64.21 65.39 1xd4 n SER 921 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1xd4 s ILE 922 N -1.83 2.02 -0.16 -1.33 -5.25 -0.62 -5.08 121.20 108.94 1xd4 s ILE 922 Ca 0.05 -0.09 -0.01 0.00 -0.99 0.00 0.00 60.65 59.61 1xd4 s ILE 922 Cb 0.08 -2.93 0.04 0.00 2.95 0.00 0.00 42.46 42.60 1xd4 s ILE 922 CO 0.38 0.00 -0.05 0.21 -1.79 0.00 0.00 174.94 173.70 1xd4 s ASN 923 N -4.84 2.72 1.12 4.36 2.47 -1.26 -5.05 114.94 114.45 1xd4 s ASN 923 Ca 0.72 -0.61 -0.19 0.00 0.42 0.00 0.00 52.86 53.19 1xd4 s ASN 923 Cb -0.05 -0.87 0.09 0.00 -1.45 0.00 0.00 41.25 38.98 1xd4 s ASN 923 CO 0.51 -0.19 -0.10 -0.81 -3.72 0.00 0.00 177.10 172.80 1xd4 n PRO 924 N 4.90 -1.57 -2.37 0.43 -0.04 -1.26 -4.79 135.00 130.31 1xd4 n PRO 924 Ca -0.12 -0.44 -0.36 0.00 -0.04 0.00 0.00 63.50 62.54 1xd4 n PRO 924 Cb 0.48 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1xd4 n PRO 924 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1xd4 s PRO 925 N -3.36 3.72 0.28 0.54 0.02 -1.26 -5.13 135.00 129.82 1xd4 s PRO 925 Ca 0.54 1.59 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 1xd4 s PRO 925 Cb -0.10 -2.25 0.01 0.00 0.02 0.00 0.00 34.50 32.19 1xd4 s PRO 925 CO 0.65 -0.54 0.64 0.00 -0.33 0.00 0.00 177.00 177.42 1xd4 s VAL 927 N -3.75 2.65 1.03 0.00 1.01 -0.42 -4.96 120.40 115.96 1xd4 s VAL 927 Ca 0.16 -3.94 -0.17 0.00 0.00 0.00 0.00 61.98 58.03 1xd4 s VAL 927 Cb -0.04 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1xd4 s VAL 927 CO 0.09 -0.97 -0.07 -2.65 0.00 0.00 0.00 175.10 171.49 1xd4 n PRO 928 N 2.31 -0.80 -2.81 2.72 -0.02 -1.26 -2.56 135.00 132.58 1xd4 n PRO 928 Ca 0.17 -0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1xd4 n PRO 928 Cb 0.35 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1xd4 n PRO 928 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xd4 s PHE 929 N -2.25 3.24 0.16 6.00 5.36 -1.26 -4.17 117.98 125.07 1xd4 s PHE 929 Ca 0.53 1.11 0.20 0.00 -0.96 0.00 0.00 56.93 57.81 1xd4 s PHE 929 Cb -0.14 -3.30 0.75 0.00 -0.34 0.00 0.00 43.02 40.00 1xd4 s PHE 929 CO 0.68 -0.55 1.76 0.35 -1.46 0.00 0.00 175.22 176.00 1xd4 h PHE 930 N 7.87 0.00 -0.72 10.12 3.04 -1.97 -3.32 116.94 131.95 1xd4 h PHE 930 Ca -0.22 0.00 0.16 0.00 3.98 0.00 0.00 57.97 61.89 1xd4 h PHE 930 Cb 1.08 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 39.47 1xd4 h PHE 930 CO 0.78 0.33 0.06 0.78 -2.02 0.00 0.00 178.31 178.24 1xd4 h GLY 931 N 2.03 0.87 0.62 2.40 0.00 -2.00 -1.48 103.07 105.52 1xd4 h GLY 931 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.43 1xd4 h GLY 931 CO 0.04 -0.25 0.09 -2.22 0.00 0.00 0.00 176.54 174.20 1xd4 h ILE 932 N 0.15 0.85 -0.86 2.60 1.08 -2.01 -2.12 117.51 117.20 1xd4 h ILE 932 Ca 0.40 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.84 1xd4 h ILE 932 Cb 0.70 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 1xd4 h ILE 932 CO -0.59 0.04 0.54 1.88 -0.69 0.00 0.00 178.15 179.33 1xd4 h TYR 933 N 0.22 1.02 -0.43 1.37 0.05 -1.50 -2.08 116.97 115.62 1xd4 h TYR 933 Ca 0.17 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 1xd4 h TYR 933 Cb 0.17 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1xd4 h TYR 933 CO -0.17 0.56 0.21 -0.07 -1.05 0.00 0.00 178.16 177.64 1xd4 h LEU 934 N 1.03 0.56 -0.73 3.88 3.38 -0.96 -0.77 115.31 121.70 1xd4 h LEU 934 Ca 0.35 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1xd4 h LEU 934 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1xd4 h LEU 934 CO -0.14 0.52 0.24 0.74 0.09 0.00 0.00 178.44 179.90 1xd4 h THR 935 N 0.55 1.26 -0.19 0.22 2.02 -1.15 -1.59 112.91 114.02 1xd4 h THR 935 Ca 0.15 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.32 1xd4 h THR 935 Cb 0.11 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1xd4 h THR 935 CO -0.02 0.35 -0.44 0.78 0.37 0.00 0.00 175.52 176.56 1xd4 h ASN 936 N 1.07 0.50 -0.13 4.18 2.35 -1.07 -1.93 115.58 120.55 1xd4 h ASN 936 Ca 0.24 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1xd4 h ASN 936 Cb 0.28 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1xd4 h ASN 936 CO -0.01 0.88 -0.10 0.40 -1.65 0.00 0.00 177.43 176.95 1xd4 h ILE 937 N 0.38 1.34 -0.38 2.81 2.04 -1.00 -1.53 117.51 121.18 1xd4 h ILE 937 Ca 0.03 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1xd4 h ILE 937 Cb 0.93 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1xd4 h ILE 937 CO 0.08 0.35 0.15 0.25 0.00 0.00 0.00 178.15 178.98 1xd4 h LEU 938 N -0.07 0.19 -0.45 1.44 5.85 -1.23 -0.03 115.31 121.01 1xd4 h LEU 938 Ca 0.02 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1xd4 h LEU 938 Cb 0.59 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1xd4 h LEU 938 CO 0.03 0.15 0.04 0.11 -0.34 0.00 0.00 178.44 178.43 1xd4 h LYS 939 N 0.32 0.77 -0.74 1.25 1.57 -1.34 -1.36 116.57 117.05 1xd4 h LYS 939 Ca 0.17 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1xd4 h LYS 939 Cb 0.12 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1xd4 h LYS 939 CO -0.15 0.81 0.46 1.15 -0.57 0.00 0.00 179.45 181.14 1xd4 h THR 940 N 0.62 1.07 -0.58 -0.16 2.02 -0.91 0.20 112.91 115.17 1xd4 h THR 940 Ca 0.13 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 1xd4 h THR 940 Cb 0.43 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1xd4 h THR 940 CO 0.01 0.16 -0.02 -0.33 0.37 0.00 0.00 175.52 175.71 1xd4 h GLU 941 N 0.88 1.04 -0.25 6.66 4.39 -0.70 -3.16 114.58 123.44 1xd4 h GLU 941 Ca 0.31 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xd4 h GLU 941 Cb 0.06 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1xd4 h GLU 941 CO -0.13 1.03 0.00 -0.85 -1.16 0.00 0.00 179.01 177.90 1xd4 n GLU 942 N -4.17 2.32 -0.16 2.33 0.28 -0.54 -4.14 120.64 116.56 1xd4 n GLU 942 Ca 0.03 -2.09 0.09 0.00 -0.16 0.00 0.00 57.16 55.02 1xd4 n GLU 942 Cb 0.36 -1.47 0.17 0.00 1.43 0.00 0.00 31.44 31.93 1xd4 n GLU 942 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xd4 n GLY 943 N 1.35 1.64 2.91 -1.84 0.00 0.67 -4.94 105.19 104.99 1xd4 n GLY 943 Ca 0.16 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1xd4 n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xd4 s ASN 944 N -1.23 0.58 0.48 1.61 0.01 -1.20 -5.03 114.94 110.17 1xd4 s ASN 944 Ca 0.31 -0.08 -0.21 0.00 -0.71 0.00 0.00 52.86 52.16 1xd4 s ASN 944 Cb 0.18 -0.15 -0.07 0.00 0.41 0.00 0.00 41.25 41.61 1xd4 s ASN 944 CO 0.24 0.01 1.10 -2.16 -1.51 0.00 0.00 177.10 174.79 1xd4 s PRO 945 N 0.27 3.72 0.32 -0.60 0.04 -1.26 -4.90 135.00 132.58 1xd4 s PRO 945 Ca -0.03 1.58 0.09 0.00 0.04 0.00 0.00 61.00 62.68 1xd4 s PRO 945 Cb -0.06 -2.23 0.52 0.00 0.04 0.00 0.00 34.50 32.77 1xd4 s PRO 945 CO -0.00 -0.54 1.72 1.05 0.04 0.00 0.00 177.00 179.27 1xd4 h GLU 946 N 1.75 0.12 -4.38 4.56 4.11 -1.93 -3.44 114.58 115.38 1xd4 h GLU 946 Ca -0.49 -0.06 -0.19 0.00 0.07 0.00 0.00 59.36 58.69 1xd4 h GLU 946 Cb 1.24 -0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.32 1xd4 h GLU 946 CO 0.59 0.54 -0.70 0.14 0.07 0.00 0.00 179.01 179.65 1xd4 s VAL 947 N -4.06 0.40 -0.09 -1.06 -7.23 -1.26 -1.42 120.40 105.68 1xd4 s VAL 947 Ca -0.03 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1xd4 s VAL 947 Cb 0.14 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 1xd4 s VAL 947 CO 0.76 -0.78 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.83 1xd4 s LEU 948 N -2.50 2.50 0.24 1.32 1.43 -0.75 -4.84 118.68 116.07 1xd4 s LEU 948 Ca 0.02 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1xd4 s LEU 948 Cb 0.01 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1xd4 s LEU 948 CO -0.05 0.23 0.81 -0.54 0.23 0.00 0.00 176.35 177.03 1xd4 s LYS 949 N -0.07 4.46 -0.28 1.70 -0.14 -1.26 -2.72 119.74 121.43 1xd4 s LYS 949 Ca -0.04 1.11 -0.05 0.00 -1.36 0.00 0.00 55.97 55.63 1xd4 s LYS 949 Cb -0.14 -2.97 0.15 0.00 -1.68 0.00 0.00 37.83 33.19 1xd4 s LYS 949 CO 0.04 0.41 0.57 1.03 -0.76 0.00 0.00 175.35 176.64 1xd4 s ARG 950 N -1.75 0.51 0.00 1.68 1.81 -1.22 -4.89 118.95 115.09 1xd4 s ARG 950 Ca 0.43 1.11 0.00 0.00 -1.72 0.00 0.00 55.73 55.55 1xd4 s ARG 950 Cb -0.19 0.51 0.00 0.00 -0.45 0.00 0.00 34.95 34.82 1xd4 s ARG 950 CO 0.24 -0.43 0.00 0.72 -0.68 0.00 0.00 175.30 175.14 1xd4 n HIS 951 N 5.42 0.00 0.00 -0.53 8.25 -1.19 -1.93 115.22 125.25 1xd4 n HIS 951 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1xd4 n HIS 951 Cb 0.50 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1xd4 n HIS 951 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xd4 n GLY 952 N -2.00 1.38 3.68 -1.41 0.00 -1.26 -5.08 105.19 100.50 1xd4 n GLY 952 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xd4 n GLY 952 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xd4 s LYS 953 N 0.00 -0.15 -0.28 1.61 -0.14 -0.81 -5.04 119.74 114.93 1xd4 s LYS 953 Ca 0.00 0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.79 1xd4 s LYS 953 Cb 0.00 -1.70 0.07 0.00 -1.68 0.00 0.00 37.83 34.52 1xd4 s LYS 953 CO 0.00 -3.04 -0.06 -2.00 -0.76 0.00 0.00 175.35 169.49 1xd4 s GLU 954 N -5.28 2.02 -0.11 1.68 2.12 -1.26 -3.41 118.70 114.45 1xd4 s GLU 954 Ca 0.68 -1.50 -0.09 0.00 0.36 0.00 0.00 54.97 54.42 1xd4 s GLU 954 Cb -0.13 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1xd4 s GLU 954 CO 0.56 -0.68 0.19 -0.51 -0.54 0.00 0.00 175.26 174.28 1xd4 s LEU 955 N 1.04 4.37 -0.08 2.70 1.43 -1.10 -4.85 118.68 122.19 1xd4 s LEU 955 Ca -0.03 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 1xd4 s LEU 955 Cb -0.20 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1xd4 s LEU 955 CO -0.06 0.35 1.46 -0.63 0.23 0.00 0.00 176.35 177.70 1xd4 s ILE 956 N -0.77 3.86 -1.00 -0.59 -1.09 -0.76 -1.81 121.20 119.02 1xd4 s ILE 956 Ca 0.15 1.09 -0.23 0.00 -2.23 0.00 0.00 60.65 59.44 1xd4 s ILE 956 Cb -0.13 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1xd4 s ILE 956 CO 0.05 -0.07 1.80 0.21 -1.23 0.00 0.00 174.94 175.69 1xd4 s ASN 957 N 2.51 5.61 0.47 3.58 2.47 -0.51 -3.51 114.94 125.56 1xd4 s ASN 957 Ca 0.65 -1.16 0.27 0.00 0.42 0.00 0.00 52.86 53.04 1xd4 s ASN 957 Cb -0.29 -2.57 0.92 0.00 -1.45 0.00 0.00 41.25 37.86 1xd4 s ASN 957 CO 0.24 -2.35 1.82 0.15 -3.72 0.00 0.00 177.10 173.23 1xd4 h PHE 958 N 10.39 0.00 -0.21 0.43 3.57 -1.88 -3.08 116.94 126.16 1xd4 h PHE 958 Ca 0.17 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1xd4 h PHE 958 Cb 0.99 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1xd4 h PHE 958 CO 1.25 0.10 -0.24 0.66 -2.23 0.00 0.00 178.31 177.85 1xd4 h SER 959 N 0.00 0.38 -0.86 0.41 4.64 -1.83 -0.70 113.55 115.59 1xd4 h SER 959 Ca -0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1xd4 h SER 959 Cb 0.75 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 1xd4 h SER 959 CO 0.01 0.63 0.44 0.50 -0.87 0.00 0.00 176.83 177.55 1xd4 h LYS 960 N 0.35 1.22 -0.28 4.77 3.64 -1.84 -2.10 116.57 122.32 1xd4 h LYS 960 Ca 0.05 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1xd4 h LYS 960 Cb 0.62 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xd4 h LYS 960 CO 0.04 0.92 -0.53 0.00 -2.27 0.00 0.00 179.45 177.61 1xd4 h ARG 961 N 1.22 0.83 -0.39 1.90 -0.00 -1.53 -2.55 114.38 113.86 1xd4 h ARG 961 Ca 0.30 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.98 59.25 1xd4 h ARG 961 Cb 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.08 1xd4 h ARG 961 CO -0.04 1.15 0.18 0.00 0.00 0.00 0.00 179.97 181.26 1xd4 h ARG 962 N 0.64 0.53 -0.26 0.04 3.08 -0.83 -0.76 114.38 116.83 1xd4 h ARG 962 Ca 0.02 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1xd4 h ARG 962 Cb 1.12 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1xd4 h ARG 962 CO 0.12 0.42 -0.49 0.87 -1.07 0.00 0.00 179.97 179.82 1xd4 h LYS 963 N 0.54 0.79 -0.57 0.04 1.57 -1.21 -0.65 116.57 117.07 1xd4 h LYS 963 Ca 0.14 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 1xd4 h LYS 963 Cb 0.07 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1xd4 h LYS 963 CO -0.02 1.13 -0.05 0.28 -0.57 0.00 0.00 179.45 180.23 1xd4 h VAL 964 N 0.54 1.27 0.00 0.50 2.07 -1.08 -2.65 116.25 116.89 1xd4 h VAL 964 Ca 0.01 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1xd4 h VAL 964 Cb 1.10 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1xd4 h VAL 964 CO 0.11 0.43 -0.34 0.00 0.02 0.00 0.00 177.57 177.79 1xd4 h ALA 965 N 0.96 1.31 -0.51 1.67 0.00 -1.10 -0.94 119.26 120.64 1xd4 h ALA 965 Ca 0.16 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1xd4 h ALA 965 Cb 0.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xd4 h ALA 965 CO 0.04 0.42 0.02 1.49 0.00 0.00 0.00 179.25 181.22 1xd4 h GLU 966 N 0.00 0.89 -0.12 0.00 4.22 -0.78 0.92 114.58 119.70 1xd4 h GLU 966 Ca -0.00 -0.27 -0.03 0.00 0.08 0.00 0.00 59.36 59.14 1xd4 h GLU 966 Cb 0.65 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xd4 h GLU 966 CO 0.04 0.91 -0.04 0.82 -2.18 0.00 0.00 179.01 178.56 1xd4 h ILE 967 N 0.76 1.30 -0.01 2.32 2.04 -1.13 -1.93 117.51 120.85 1xd4 h ILE 967 Ca 0.15 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1xd4 h ILE 967 Cb 0.49 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1xd4 h ILE 967 CO 0.02 0.29 -0.14 0.71 0.00 0.00 0.00 178.15 179.03 1xd4 h THR 968 N -0.08 1.11 -0.34 -0.27 1.35 -1.08 -1.60 112.91 112.00 1xd4 h THR 968 Ca 0.03 -0.51 -0.10 0.00 -0.55 0.00 0.00 66.41 65.28 1xd4 h THR 968 Cb 0.47 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1xd4 h THR 968 CO 0.01 0.15 -0.22 1.23 -0.25 0.00 0.00 175.52 176.44 1xd4 h GLY 969 N 0.45 0.71 0.88 5.82 0.00 -0.55 -1.69 103.07 108.69 1xd4 h GLY 969 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1xd4 h GLY 969 CO 0.02 0.53 0.04 0.83 0.00 0.00 0.00 176.54 177.96 1xd4 h GLU 970 N 0.57 0.49 -0.43 4.80 5.08 -0.52 -1.47 114.58 123.12 1xd4 h GLU 970 Ca 0.08 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1xd4 h GLU 970 Cb 0.69 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1xd4 h GLU 970 CO 0.05 0.61 0.10 0.82 -1.00 0.00 0.00 179.01 179.59 1xd4 h ILE 971 N 0.30 0.79 -0.45 3.13 2.04 -1.27 -2.11 117.51 119.95 1xd4 h ILE 971 Ca 0.09 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1xd4 h ILE 971 Cb 0.36 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1xd4 h ILE 971 CO 0.01 0.04 0.03 1.56 0.00 0.00 0.00 178.15 179.79 1xd4 h GLN 972 N 0.24 0.71 -0.14 2.37 4.20 -1.10 -2.33 115.11 119.05 1xd4 h GLN 972 Ca 0.21 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1xd4 h GLN 972 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1xd4 h GLN 972 CO -0.26 0.70 0.11 0.37 -0.67 0.00 0.00 178.83 179.09 1xd4 h GLN 973 N 0.68 0.00 0.00 1.46 -0.00 -0.56 -2.57 115.11 114.12 1xd4 h GLN 973 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1xd4 h GLN 973 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.85 1xd4 h GLN 973 CO 0.01 0.00 -1.10 0.66 0.00 0.00 0.00 178.83 178.40 1xd4 n TYR 974 N -4.33 0.89 -0.16 3.99 4.01 -0.90 -4.62 117.16 116.04 1xd4 n TYR 974 Ca 0.00 0.26 -0.10 0.00 -0.16 0.00 0.00 57.90 57.91 1xd4 n TYR 974 Cb 0.24 -0.92 -0.00 0.00 -0.31 0.00 0.00 39.34 38.34 1xd4 n TYR 974 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1xd4 h GLN 975 N 0.00 0.76 -0.63 -0.72 4.20 -1.24 -3.33 115.11 114.16 1xd4 h GLN 975 Ca -0.00 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.51 1xd4 h GLN 975 Cb 1.01 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1xd4 h GLN 975 CO 0.00 0.79 0.42 -0.91 -0.67 0.00 0.00 178.83 178.45 1xd4 h ASN 976 N 0.62 0.71 -1.87 1.46 2.35 -1.82 -3.43 115.58 113.61 1xd4 h ASN 976 Ca 0.14 -0.02 -0.49 0.00 -0.55 0.00 0.00 56.30 55.38 1xd4 h ASN 976 Cb 0.40 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1xd4 h ASN 976 CO 0.01 0.51 1.40 -1.10 -1.65 0.00 0.00 177.43 176.61 1xd4 s GLN 977 N -5.71 2.50 0.72 0.81 1.11 -1.25 -5.00 119.66 112.84 1xd4 s GLN 977 Ca -0.10 0.77 -0.15 0.00 0.01 0.00 0.00 55.36 55.89 1xd4 s GLN 977 Cb 0.18 -4.44 0.04 0.00 -1.01 0.00 0.00 33.01 27.77 1xd4 s GLN 977 CO 0.76 -2.88 1.21 -2.14 0.01 0.00 0.00 175.29 172.25 1xd4 s PRO 978 N 7.33 2.18 0.02 2.91 0.02 -1.26 -4.59 135.00 141.61 1xd4 s PRO 978 Ca 0.74 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 63.33 1xd4 s PRO 978 Cb -0.13 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1xd4 s PRO 978 CO 0.21 -1.80 0.52 0.71 -0.33 0.00 0.00 177.00 176.31 1xd4 s TYR 979 N -1.98 3.74 -1.20 6.54 2.02 -1.26 -4.53 117.35 120.68 1xd4 s TYR 979 Ca 0.74 1.15 -0.08 0.00 -0.37 0.00 0.00 57.07 58.51 1xd4 s TYR 979 Cb -0.29 -2.47 0.22 0.00 -0.40 0.00 0.00 41.96 39.02 1xd4 s TYR 979 CO 0.45 0.52 1.66 0.00 -1.57 0.00 0.00 175.55 176.61 1xd4 s LEU 981 N -0.85 2.09 0.01 0.00 1.43 -1.26 -4.36 118.68 115.74 1xd4 s LEU 981 Ca 0.37 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 53.02 1xd4 s LEU 981 Cb 0.06 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.21 1xd4 s LEU 981 CO 0.03 -0.10 0.74 -0.13 0.23 0.00 0.00 176.35 177.12 1xd4 s ARG 982 N -0.59 4.46 0.33 1.70 0.52 -1.26 -5.04 118.95 119.07 1xd4 s ARG 982 Ca -0.05 1.00 -0.28 0.00 -0.52 0.00 0.00 55.73 55.88 1xd4 s ARG 982 Cb -0.04 -3.38 -0.09 0.00 0.52 0.00 0.00 34.95 31.95 1xd4 s ARG 982 CO -0.00 0.23 1.11 0.08 0.02 0.00 0.00 175.30 176.74 1xd4 s VAL 983 N 0.15 3.44 -0.39 3.52 1.01 -1.26 -4.93 120.40 121.94 1xd4 s VAL 983 Ca 0.38 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1xd4 s VAL 983 Cb -0.20 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1xd4 s VAL 983 CO 0.21 0.23 0.12 -0.70 0.00 0.00 0.00 175.10 174.97 1xd4 s GLU 984 N -1.82 1.68 0.20 2.72 2.56 -1.26 -5.02 118.70 117.77 1xd4 s GLU 984 Ca 0.49 -2.01 -0.17 0.00 0.00 0.00 0.00 54.97 53.28 1xd4 s GLU 984 Cb -0.30 -3.31 0.20 0.00 2.00 0.00 0.00 34.13 32.72 1xd4 s GLU 984 CO 0.38 -1.00 1.41 0.43 -0.56 0.00 0.00 175.26 175.93 1xd4 n SER 985 N 4.10 -0.62 -0.20 -1.70 7.64 -1.26 -1.28 113.62 120.29 1xd4 n SER 985 Ca 0.03 1.59 -0.08 0.00 1.01 0.00 0.00 58.87 61.43 1xd4 n SER 985 Cb 0.40 -0.35 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 1xd4 n SER 985 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1xd4 h ASP 986 N 0.00 0.80 -0.40 6.43 3.32 -1.99 -0.72 116.42 123.86 1xd4 h ASP 986 Ca 0.30 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1xd4 h ASP 986 Cb 0.53 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xd4 h ASP 986 CO -0.90 0.75 -0.18 0.40 -1.72 0.00 0.00 179.24 177.59 1xd4 h ILE 987 N 0.79 1.28 -0.55 0.35 2.04 -1.65 -0.36 117.51 119.42 1xd4 h ILE 987 Ca 0.19 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1xd4 h ILE 987 Cb 0.20 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1xd4 h ILE 987 CO -0.02 0.44 0.30 0.50 0.00 0.00 0.00 178.15 179.37 1xd4 h LYS 988 N 0.65 0.55 -0.29 2.37 3.64 -1.08 -0.83 116.57 121.58 1xd4 h LYS 988 Ca 0.09 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xd4 h LYS 988 Cb 0.73 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1xd4 h LYS 988 CO 0.06 0.37 0.17 -0.09 -2.27 0.00 0.00 179.45 177.69 1xd4 h ARG 989 N 0.57 0.39 -0.34 1.90 9.65 -0.80 0.10 114.38 125.85 1xd4 h ARG 989 Ca 0.24 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.15 1xd4 h ARG 989 Cb 0.12 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 1xd4 h ARG 989 CO -0.15 0.30 -0.11 0.35 2.80 0.00 0.00 179.97 183.16 1xd4 h PHE 990 N 0.37 -0.26 0.00 2.20 3.57 -0.42 -1.00 116.94 121.40 1xd4 h PHE 990 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1xd4 h PHE 990 Cb 0.01 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1xd4 h PHE 990 CO -0.04 -0.18 -0.32 0.74 -2.23 0.00 0.00 178.31 176.27 1xd4 h PHE 991 N -0.04 0.00 -0.01 0.41 0.04 -0.74 -2.86 116.94 113.73 1xd4 h PHE 991 Ca 0.17 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.79 1xd4 h PHE 991 Cb 0.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1xd4 h PHE 991 CO -0.34 0.32 -0.67 0.93 -0.60 0.00 0.00 178.31 177.96 1xd4 h GLU 992 N 0.00 0.05 -0.18 1.51 5.08 -0.07 -3.16 114.58 117.82 1xd4 h GLU 992 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1xd4 h GLU 992 Cb 0.92 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xd4 h GLU 992 CO 0.04 0.70 0.00 0.09 -1.00 0.00 0.00 179.01 178.85 1xd4 n ASN 993 N -3.76 2.03 -4.70 1.42 3.02 -0.45 -4.94 115.26 107.88 1xd4 n ASN 993 Ca -0.01 -1.75 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 1xd4 n ASN 993 Cb 0.66 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 1xd4 n ASN 993 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xd4 n LEU 994 N 0.57 3.70 -3.23 3.41 4.77 -1.10 -4.94 117.00 120.19 1xd4 n LEU 994 Ca 0.17 1.06 -0.20 0.00 -0.03 0.00 0.00 56.01 57.01 1xd4 n LEU 994 Cb 0.40 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 39.89 1xd4 n LEU 994 CO 0.14 0.03 -0.19 0.21 -1.33 0.00 0.00 177.39 176.25 1xd4 s ASN 995 N 1.19 0.72 0.25 -1.43 2.47 -1.26 -5.01 114.94 111.87 1xd4 s ASN 995 Ca 0.77 -2.52 -0.05 0.00 0.42 0.00 0.00 52.86 51.48 1xd4 s ASN 995 Cb -0.56 0.28 0.28 0.00 -1.45 0.00 0.00 41.25 39.80 1xd4 s ASN 995 CO 0.34 -0.16 1.82 -0.65 -3.72 0.00 0.00 177.10 174.74 1xd4 h PRO 996 N 5.70 1.06 0.00 0.43 0.11 -1.92 -2.92 132.00 134.46 1xd4 h PRO 996 Ca 0.18 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xd4 h PRO 996 Cb 0.98 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xd4 h PRO 996 CO 0.25 0.86 0.00 0.52 -0.21 0.00 0.00 178.00 179.42 1xd4 h MET 997 N 1.04 0.00 0.00 1.05 2.86 -1.94 -3.49 114.93 114.45 1xd4 h MET 997 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1xd4 h MET 997 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1xd4 h MET 997 CO -0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.36 1xd4 n GLY 998 N 0.23 2.41 1.55 8.32 0.00 -1.11 -2.00 105.19 114.59 1xd4 n GLY 998 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1xd4 n GLY 998 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xd4 n ASN 999 N 0.85 4.60 -4.82 1.61 2.04 -1.26 -4.95 115.26 113.33 1xd4 n ASN 999 Ca 0.00 -2.43 -0.34 0.00 -0.44 0.00 0.00 54.58 51.37 1xd4 n ASN 999 Cb 0.00 -0.57 -0.07 0.00 -2.53 0.00 0.00 39.78 36.61 1xd4 n ASN 999 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1xd4 s SER 1000N -0.87 6.97 0.65 0.53 0.15 -0.85 -5.06 113.70 115.22 1xd4 s SER 1000Ca 0.49 1.56 -0.11 0.00 0.70 0.00 0.00 55.95 58.59 1xd4 s SER 1000Cb 0.32 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 1xd4 s SER 1000CO 0.24 -0.22 1.04 -0.04 1.20 0.00 0.00 173.24 175.46 1xd4 s MET 1001N -2.79 3.28 0.13 5.44 -1.94 -1.26 -4.85 119.30 117.31 1xd4 s MET 1001Ca 0.55 0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 55.11 1xd4 s MET 1001Cb -0.12 -2.04 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 1xd4 s MET 1001CO 0.17 -0.82 1.59 1.49 -0.01 0.00 0.00 175.02 177.44 1xd4 h GLU 1002N -0.49 -0.43 -0.40 2.03 4.81 -1.97 -1.65 114.58 116.48 1xd4 h GLU 1002Ca -0.44 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1xd4 h GLU 1002Cb 1.20 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 1xd4 h GLU 1002CO 0.59 -0.29 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.32 1xd4 h LYS 1003N -0.45 0.05 -0.21 1.92 1.63 -1.99 0.46 116.57 117.99 1xd4 h LYS 1003Ca 0.09 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1xd4 h LYS 1003Cb 0.59 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1xd4 h LYS 1003CO -0.38 0.03 0.06 0.93 -3.45 0.00 0.00 179.45 176.64 1xd4 h GLU 1004N 0.05 0.15 -0.37 1.90 5.08 -1.89 -0.60 114.58 118.90 1xd4 h GLU 1004Ca 0.19 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1xd4 h GLU 1004Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1xd4 h GLU 1004CO -0.37 0.10 0.07 0.35 -1.00 0.00 0.00 179.01 178.16 1xd4 h PHE 1005N 0.16 0.65 -0.32 4.33 3.57 -0.93 0.50 116.94 124.89 1xd4 h PHE 1005Ca 0.09 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1xd4 h PHE 1005Cb 0.07 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1xd4 h PHE 1005CO -0.13 0.65 0.11 1.15 -2.23 0.00 0.00 178.31 177.87 1xd4 h THR 1006N 0.46 0.91 -0.54 4.41 2.02 -0.78 -0.67 112.91 118.72 1xd4 h THR 1006Ca 0.11 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1xd4 h THR 1006Cb 0.35 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1xd4 h THR 1006CO 0.01 0.05 0.06 0.44 0.37 0.00 0.00 175.52 176.44 1xd4 h ASP 1007N 0.25 0.83 -0.49 4.18 3.45 -0.93 -2.32 116.42 121.39 1xd4 h ASP 1007Ca 0.14 -0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.44 1xd4 h ASP 1007Cb 0.12 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 1xd4 h ASP 1007CO -0.15 0.86 0.30 0.22 -1.57 0.00 0.00 179.24 178.90 1xd4 h TYR 1008N 0.82 0.56 -0.33 4.55 3.20 -0.03 0.21 116.97 125.95 1xd4 h TYR 1008Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1xd4 h TYR 1008Cb 0.41 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1xd4 h TYR 1008CO 0.02 0.33 0.16 -0.07 -1.64 0.00 0.00 178.16 176.96 1xd4 h LEU 1009N 0.59 0.43 -0.82 2.82 3.38 -0.88 -0.72 115.31 120.12 1xd4 h LEU 1009Ca 0.19 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1xd4 h LEU 1009Cb -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xd4 h LEU 1009CO -0.08 0.44 -0.01 0.15 0.09 0.00 0.00 178.44 179.03 1xd4 h PHE 1010N 0.40 0.94 -0.32 1.13 3.57 -1.22 -1.32 116.94 120.12 1xd4 h PHE 1010Ca 0.11 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1xd4 h PHE 1010Cb 0.13 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1xd4 h PHE 1010CO -0.02 0.86 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.80 1xd4 h ASN 1011N 0.81 0.60 -0.55 0.41 2.35 -0.69 -1.51 115.58 117.00 1xd4 h ASN 1011Ca 0.15 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1xd4 h ASN 1011Cb 0.50 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1xd4 h ASN 1011CO 0.02 0.82 0.18 0.11 -1.65 0.00 0.00 177.43 176.91 1xd4 h LYS 1012N 0.53 0.90 -0.42 0.81 1.79 -0.70 -0.96 116.57 118.53 1xd4 h LYS 1012Ca 0.08 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1xd4 h LYS 1012Cb 0.66 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1xd4 h LYS 1012CO 0.05 0.78 0.15 1.03 -1.08 0.00 0.00 179.45 180.38 1xd4 h SER 1013N 0.87 0.59 -0.58 0.86 0.87 -0.68 -1.23 113.55 114.25 1xd4 h SER 1013Ca 0.20 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1xd4 h SER 1013Cb 0.26 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1xd4 h SER 1013CO -0.01 0.61 0.28 -0.07 -0.53 0.00 0.00 176.83 177.12 1xd4 h LEU 1014N 0.53 0.79 0.06 2.23 3.38 -0.76 -1.50 115.31 120.03 1xd4 h LEU 1014Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xd4 h LEU 1014Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xd4 h LEU 1014CO -0.01 0.68 -0.03 -0.33 0.09 0.00 0.00 178.44 178.84 1xd4 h GLU 1015N 0.87 -0.07 0.00 1.13 5.08 -0.72 -1.97 114.58 118.89 1xd4 h GLU 1015Ca 0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1xd4 h GLU 1015Cb 0.11 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1xd4 h GLU 1015CO -0.03 0.18 -0.58 -0.84 -1.00 0.00 0.00 179.01 176.75 1xd4 h ILE 1016N -0.33 1.33 -2.28 3.13 3.07 -1.13 -3.38 117.51 117.92 1xd4 h ILE 1016Ca -0.01 -2.04 -0.56 0.00 1.55 0.00 0.00 64.86 63.80 1xd4 h ILE 1016Cb 0.29 2.13 -0.37 0.00 -0.27 0.00 0.00 36.82 38.60 1xd4 h ILE 1016CO 0.01 0.57 -0.94 -1.61 -1.05 0.00 0.00 178.15 175.13 1xd4 s GLU 1017N -3.57 0.89 0.71 0.16 2.02 -0.57 -4.70 118.70 113.63 1xd4 s GLU 1017Ca -0.01 -2.00 -0.16 0.00 0.02 0.00 0.00 54.97 52.82 1xd4 s GLU 1017Cb 0.12 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 1xd4 s GLU 1017CO 0.75 -1.38 0.65 -2.30 0.02 0.00 0.00 175.26 173.00 1xd4 n PRO 1018N 2.92 0.38 -2.32 0.39 -0.02 -0.74 -4.55 135.00 131.06 1xd4 n PRO 1018Ca 0.28 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 1xd4 n PRO 1018Cb 0.48 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1xd4 n PRO 1018CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xd4 s ARG 1019N -2.85 3.45 0.64 -0.52 0.52 -1.26 -4.81 118.95 114.13 1xd4 s ARG 1019Ca 0.68 1.55 -0.16 0.00 -0.52 0.00 0.00 55.73 57.29 1xd4 s ARG 1019Cb -0.36 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 1xd4 s ARG 1019CO 0.55 -0.76 1.12 -0.80 0.02 0.00 0.00 175.30 175.43 1xd4 s ASN 1020N -1.83 5.16 -0.02 0.23 0.01 -1.26 -1.24 114.94 115.98 1xd4 s ASN 1020Ca 0.71 2.05 0.04 0.00 -0.71 0.00 0.00 52.86 54.95 1xd4 s ASN 1020Cb -0.22 -2.56 0.16 0.00 0.41 0.00 0.00 41.25 39.04 1xd4 s ASN 1020CO 0.26 -1.60 0.95 -2.65 -1.51 0.00 0.00 177.10 172.55 1xd4 n PRO 1021N -2.25 1.60 -1.97 -0.60 -0.02 -1.26 -5.10 135.00 125.40 1xd4 n PRO 1021Ca 0.11 -0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 60.54 1xd4 n PRO 1021Cb 0.52 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 1xd4 n PRO 1021CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xd4 s LYS 1022N -1.60 4.24 0.58 -0.52 2.20 -0.38 -4.96 119.74 119.31 1xd4 s LYS 1022Ca 0.11 2.34 -0.19 0.00 -0.36 0.00 0.00 55.97 57.88 1xd4 s LYS 1022Cb 0.07 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1xd4 s LYS 1022CO 0.05 -0.48 1.17 -1.25 -0.36 0.00 0.00 175.35 174.48 1xd4 s PRO 1023N -0.11 3.08 -0.22 4.03 0.04 -1.26 -4.70 135.00 135.87 1xd4 s PRO 1023Ca 0.62 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 1xd4 s PRO 1023Cb -0.43 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1xd4 s PRO 1023CO 0.42 -1.08 1.07 -1.17 0.04 0.00 0.00 177.00 176.27 1xd4 s LEU 1024N -4.08 4.12 0.89 -3.56 2.96 -1.26 -4.74 118.68 113.02 1xd4 s LEU 1024Ca 0.74 1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 55.96 1xd4 s LEU 1024Cb -0.27 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.05 1xd4 s LEU 1024CO 0.32 -0.67 1.24 -2.16 -1.32 0.00 0.00 176.35 173.75 1xd4 s PRO 1025N 3.20 1.01 0.13 0.98 0.04 -1.26 -5.10 135.00 133.99 1xd4 s PRO 1025Ca 0.46 -0.49 0.09 0.00 0.04 0.00 0.00 61.00 61.09 1xd4 s PRO 1025Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1xd4 s PRO 1025CO 0.08 -2.12 -0.16 1.03 0.04 0.00 0.00 177.00 175.87 1xd4 s ARG 1026N -5.70 1.87 0.05 4.56 0.52 -1.26 -5.00 118.95 113.99 1xd4 s ARG 1026Ca 0.71 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1xd4 s ARG 1026Cb -0.05 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 1xd4 s ARG 1026CO 0.51 0.48 -0.06 -0.06 0.02 0.00 0.00 175.30 176.18 1xd4 s PHE 1027N -1.25 0.62 0.62 -0.53 0.40 -1.26 -5.06 117.98 111.51 1xd4 s PHE 1027Ca 0.20 -0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1xd4 s PHE 1027Cb -0.10 -0.38 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 1xd4 s PHE 1027CO 0.11 -0.14 1.04 -1.25 0.70 0.00 0.00 175.22 175.69 1xd4 s PRO 1028N -2.10 3.35 0.44 0.24 0.04 -1.26 -4.52 135.00 131.18 1xd4 s PRO 1028Ca -0.06 1.01 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 1xd4 s PRO 1028Cb -0.06 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1xd4 s PRO 1028CO -0.01 -0.77 1.17 0.15 0.04 0.00 0.00 177.00 177.57 1xd4 s LYS 1029N -4.57 3.86 -0.00 4.56 -0.14 -1.26 -4.25 119.74 117.94 1xd4 s LYS 1029Ca 0.60 1.80 0.05 0.00 -1.36 0.00 0.00 55.97 57.05 1xd4 s LYS 1029Cb -0.13 -2.50 -0.06 0.00 -1.68 0.00 0.00 37.83 33.46 1xd4 s LYS 1029CO 0.45 -0.47 0.20 0.36 -0.76 0.00 0.00 175.35 175.12 1xd4 n LYS 1030N -0.30 4.90 -3.87 1.68 2.85 -1.26 -5.01 118.16 117.16 1xd4 n LYS 1030Ca 0.06 -0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.96 1xd4 n LYS 1030Cb 0.47 -0.77 -0.10 0.00 -0.65 0.00 0.00 35.03 33.99 1xd4 n LYS 1030CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1xd4 s TYR 1031N -1.54 3.24 -2.24 5.58 2.02 -1.26 -4.98 117.35 118.16 1xd4 s TYR 1031Ca 0.01 0.04 0.20 0.00 -0.37 0.00 0.00 57.07 56.95 1xd4 s TYR 1031Cb 0.04 -2.16 0.55 0.00 -0.40 0.00 0.00 41.96 39.99 1xd4 s TYR 1031CO 0.20 0.05 1.44 -1.13 -1.57 0.00 0.00 175.55 174.54 1xd4 n SER 1032N 3.98 2.54 -4.43 2.29 3.41 -1.26 -4.92 113.62 115.23 1xd4 n SER 1032Ca -0.16 -1.89 -0.25 0.00 -0.26 0.00 0.00 58.87 56.31 1xd4 n SER 1032Cb 0.52 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 1xd4 n SER 1032CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1xd4 s TYR 1033N -1.55 2.20 0.25 7.33 -0.85 -1.26 -5.10 117.35 118.37 1xd4 s TYR 1033Ca 0.35 -0.37 -0.31 0.00 -0.52 0.00 0.00 57.07 56.21 1xd4 s TYR 1033Cb 0.19 -1.03 -0.13 0.00 0.38 0.00 0.00 41.96 41.37 1xd4 s TYR 1033CO 0.27 0.56 1.36 -0.35 -1.52 0.00 0.00 175.55 175.87 1xd4 n PRO 1034N -0.14 1.98 0.00 -3.49 -0.04 -1.26 -4.90 135.00 127.15 1xd4 n PRO 1034Ca -0.09 0.70 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1xd4 n PRO 1034Cb 0.58 -2.33 0.42 0.00 -0.04 0.00 0.00 33.50 32.13 1xd4 n PRO 1034CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xd4 n LEU 1035N 1.93 1.33 -4.72 1.53 4.77 -1.26 -4.92 117.00 115.66 1xd4 n LEU 1035Ca 0.11 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1xd4 n LEU 1035Cb 0.32 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1xd4 n LEU 1035CO 0.62 0.23 1.18 -0.75 -1.33 0.00 0.00 177.39 177.34 1xd4 s LYS 1036N -2.26 4.25 0.32 3.23 2.20 -1.26 -4.97 119.74 121.24 1xd4 s LYS 1036Ca 0.30 2.28 -0.27 0.00 -0.36 0.00 0.00 55.97 57.92 1xd4 s LYS 1036Cb 0.20 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1xd4 s LYS 1036CO 0.43 -0.55 1.04 0.45 -0.36 0.00 0.00 175.35 176.36 1xd4 s SER 1037N 1.11 7.18 0.00 1.43 0.15 -1.26 -4.92 113.70 117.39 1xd4 s SER 1037Ca 0.68 2.08 0.30 0.00 0.70 0.00 0.00 55.95 59.71 1xd4 s SER 1037Cb -0.42 -2.60 1.66 0.00 -1.71 0.00 0.00 66.02 62.95 1xd4 s SER 1037CO 0.31 -0.20 2.08 -0.81 1.20 0.00 0.00 173.24 175.82 1xd4 n PRO 1038N 0.75 0.72 0.00 5.44 -0.04 -1.26 -5.01 135.00 135.59 1xd4 n PRO 1038Ca 0.01 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1xd4 n PRO 1038Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1xd4 n PRO 1038CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xd4 n GLY 1039N 1.01 -0.74 0.62 0.55 0.00 -1.26 -4.77 105.19 100.61 1xd4 n GLY 1039Ca 0.19 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1xd4 n GLY 1039CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xd4 n VAL 1040N -0.82 2.16 -3.46 1.61 0.24 -1.26 -4.66 118.33 112.14 1xd4 n VAL 1040Ca 0.00 -2.02 -0.38 0.00 -2.04 0.00 0.00 64.34 59.89 1xd4 n VAL 1040Cb 0.00 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.02 1xd4 n VAL 1040CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xd4 s ARG 1041N -2.86 4.03 0.59 7.34 1.81 -1.26 -4.97 118.95 123.63 1xd4 s ARG 1041Ca 0.39 -0.05 -0.19 0.00 -1.72 0.00 0.00 55.73 54.16 1xd4 s ARG 1041Cb 0.32 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 1xd4 s ARG 1041CO 0.07 -0.20 1.21 -1.25 -0.68 0.00 0.00 175.30 174.45 1xd4 s PRO 1042N 1.82 2.98 0.09 3.54 0.04 -1.26 -5.04 135.00 137.17 1xd4 s PRO 1042Ca 0.13 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1xd4 s PRO 1042Cb -0.15 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1xd4 s PRO 1042CO 0.09 -1.20 0.18 -1.12 0.04 0.00 0.00 177.00 175.00 1xd4 s SER 1043N -1.57 6.10 -0.65 6.66 0.01 -1.26 -5.09 113.70 117.90 1xd4 s SER 1043Ca 0.77 0.16 0.05 0.00 1.31 0.00 0.00 55.95 58.25 1xd4 s SER 1043Cb -0.31 -1.80 0.20 0.00 0.21 0.00 0.00 66.02 64.32 1xd4 s SER 1043CO 0.33 0.14 0.58 0.59 0.41 0.00 0.00 173.24 175.29 1xd4 n ASN 1044N 0.15 2.89 -4.10 2.44 3.02 -1.26 -4.89 115.26 113.52 1xd4 n ASN 1044Ca -0.06 -3.21 -0.12 0.00 -0.03 0.00 0.00 54.58 51.16 1xd4 n ASN 1044Cb 0.52 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 1xd4 n ASN 1044CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xd4 s PRO 1045N -1.70 0.63 0.00 3.52 0.04 -1.26 -5.20 135.00 131.03 1xd4 s PRO 1045Ca 0.31 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1xd4 s PRO 1045Cb 0.04 -0.26 0.00 0.00 0.04 0.00 0.00 34.50 34.33 1xd4 s PRO 1045CO -0.11 0.03 0.00 2.89 0.04 0.00 0.00 177.00 179.84