#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3o s PHE 203 N 0.00 3.19 -0.10 -2.53 0.40 -1.26 -5.02 117.98 112.66 3g3o s PHE 203 Ca 0.00 -0.05 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 3g3o s PHE 203 Cb 0.00 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 3g3o s PHE 203 CO 0.00 0.05 0.20 0.50 0.70 0.00 0.00 175.22 176.67 3g3o s ARG 204 N 0.58 3.63 -0.16 0.44 3.52 0.26 -4.73 118.95 122.50 3g3o s ARG 204 Ca 0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 3g3o s ARG 204 Cb -0.13 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3g3o s ARG 204 CO 0.01 0.70 -0.03 0.45 -0.81 0.00 0.00 175.30 175.63 3g3o s SER 205 N -0.88 4.90 -0.06 -2.12 0.15 -1.26 -0.26 113.70 114.16 3g3o s SER 205 Ca 0.16 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.75 3g3o s SER 205 Cb -0.13 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3g3o s SER 205 CO 0.06 0.18 -0.18 -0.36 1.20 0.00 0.00 173.24 174.13 3g3o s PHE 206 N 0.32 1.92 0.00 3.44 0.08 0.34 -4.98 117.98 119.11 3g3o s PHE 206 Ca -0.03 -0.66 0.05 0.00 0.12 0.00 0.00 56.93 56.41 3g3o s PHE 206 Cb -0.14 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 3g3o s PHE 206 CO 0.03 -0.26 -0.13 0.15 -0.10 0.00 0.00 175.22 174.91 3g3o s LYS 207 N 0.25 2.38 0.05 0.44 1.02 -1.26 -0.12 119.74 122.50 3g3o s LYS 207 Ca -0.10 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.10 3g3o s LYS 207 Cb -0.14 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 3g3o s LYS 207 CO 0.04 0.59 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.94 3g3o s PHE 208 N -0.90 0.60 -0.03 3.18 0.08 -1.26 -0.94 117.98 118.71 3g3o s PHE 208 Ca 0.15 -0.64 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 3g3o s PHE 208 Cb -0.11 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 3g3o s PHE 208 CO 0.05 -0.15 0.16 -1.58 -0.10 0.00 0.00 175.22 173.59 3g3o s TRP 209 N -2.08 3.52 -0.07 0.36 0.51 0.09 -4.33 118.94 116.94 3g3o s TRP 209 Ca -0.06 0.37 0.01 0.00 -2.12 0.00 0.00 56.10 54.30 3g3o s TRP 209 Cb -0.05 -1.84 0.02 0.00 -0.81 0.00 0.00 33.47 30.79 3g3o s TRP 209 CO -0.02 0.65 -0.06 0.08 -0.51 0.00 0.00 176.95 177.08 3g3o s VAL 210 N -1.25 0.78 0.36 4.03 1.01 -0.07 -0.98 120.40 124.28 3g3o s VAL 210 Ca 0.24 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 3g3o s VAL 210 Cb -0.12 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 3g3o s VAL 210 CO 0.15 0.30 1.06 -2.28 0.00 0.00 0.00 175.10 174.33 3g3o s HIS 211 N 1.21 3.40 0.40 5.22 2.46 -1.26 -1.46 115.29 125.25 3g3o s HIS 211 Ca -0.06 1.67 0.20 0.00 0.47 0.00 0.00 55.06 57.34 3g3o s HIS 211 Cb -0.14 -3.17 1.14 0.00 -0.13 0.00 0.00 32.58 30.28 3g3o s HIS 211 CO -0.02 -0.56 1.75 -0.91 -2.47 0.00 0.00 174.74 172.54 3g3o h ASN 212 N 2.98 0.42 0.65 9.88 2.35 -1.97 0.89 115.58 130.77 3g3o h ASN 212 Ca -0.48 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 3g3o h ASN 212 Cb 1.21 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 3g3o h ASN 212 CO 0.64 0.05 -0.03 0.44 -1.65 0.00 0.00 177.43 176.88 3g3o h ASP 213 N 0.35 0.00 -0.02 5.81 3.32 -1.99 -2.86 116.42 121.03 3g3o h ASP 213 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 3g3o h ASP 213 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3g3o h ASP 213 CO -0.32 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 177.82 3g3o n ASN 214 N -3.17 2.12 -0.52 6.45 3.02 0.27 -4.83 115.26 118.60 3g3o n ASN 214 Ca -0.01 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 3g3o n ASN 214 Cb 0.24 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3g3o n ASN 214 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3g3o n LEU 215 N 0.75 0.22 0.00 3.41 7.94 -0.99 -1.16 117.00 127.16 3g3o n LEU 215 Ca 0.08 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3g3o n LEU 215 Cb 0.33 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.18 3g3o n LEU 215 CO 0.08 0.05 0.00 1.21 -1.11 0.00 0.00 177.39 177.63 3g3o n GLU 217 N 0.42 0.00 -0.13 1.96 2.13 -1.26 -1.47 120.64 122.29 3g3o n GLU 217 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3g3o n GLU 217 Cb 0.05 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.76 3g3o n GLU 217 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3g3o h VAL 218 N 0.00 1.16 -0.53 6.31 2.07 -1.50 -1.56 116.25 122.21 3g3o h VAL 218 Ca 0.00 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3g3o h VAL 218 Cb 0.00 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3g3o h VAL 218 CO 0.00 0.17 0.31 0.11 0.02 0.00 0.00 177.57 178.18 3g3o h LYS 219 N 0.52 0.72 -0.44 1.57 1.57 -1.51 -1.59 116.57 117.41 3g3o h LYS 219 Ca 0.14 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3g3o h LYS 219 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3g3o h LYS 219 CO -0.02 0.54 0.01 1.79 -0.57 0.00 0.00 179.45 181.20 3g3o h THR 220 N 0.70 1.23 -0.49 -0.16 1.35 -1.80 -0.97 112.91 112.77 3g3o h THR 220 Ca 0.19 -0.93 -0.07 0.00 -0.55 0.00 0.00 66.41 65.05 3g3o h THR 220 Cb 0.01 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 3g3o h THR 220 CO -0.03 0.33 0.04 0.03 -0.25 0.00 0.00 175.52 175.63 3g3o h ARG 221 N 0.67 0.84 -0.63 4.72 3.08 -0.92 -2.79 114.38 119.36 3g3o h ARG 221 Ca 0.14 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3g3o h ARG 221 Cb 0.40 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3g3o h ARG 221 CO 0.01 0.86 0.27 0.82 -1.07 0.00 0.00 179.97 180.87 3g3o h ILE 222 N 0.71 1.22 0.00 2.04 2.04 -0.80 -2.83 117.51 119.88 3g3o h ILE 222 Ca 0.15 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3g3o h ILE 222 Cb 0.45 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3g3o h ILE 222 CO 0.02 0.26 0.00 0.25 0.00 0.00 0.00 178.15 178.68 3g3o h LEU 223 N 0.90 0.00 -1.12 1.44 5.85 -0.91 0.12 115.31 121.58 3g3o h LEU 223 Ca 0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3g3o h LEU 223 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3g3o h LEU 223 CO -0.02 0.00 -0.01 0.03 -0.34 0.00 0.00 178.44 178.09 3g3o h ARG 224 N 0.00 0.00 0.00 1.25 3.08 -1.40 -3.30 114.38 114.01 3g3o h ARG 224 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g3o h ARG 224 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3g3o h ARG 224 CO 0.00 0.01 -0.52 0.72 -1.07 0.00 0.00 179.97 179.12 3g3o n HIS 225 N -3.11 0.00 -3.83 3.04 8.25 0.22 -5.03 115.22 114.76 3g3o n HIS 225 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 3g3o n HIS 225 Cb 0.36 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.34 3g3o n HIS 225 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g3o s LEU 226 N -2.33 1.52 0.67 2.41 1.43 -0.13 -4.96 118.68 117.29 3g3o s LEU 226 Ca 0.00 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 3g3o s LEU 226 Cb 0.00 0.26 0.01 0.00 0.03 0.00 0.00 46.19 46.49 3g3o s LEU 226 CO 0.00 -0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.47 3g3o s PRO 227 N 0.27 2.75 -0.09 1.29 0.05 -1.26 -4.11 135.00 133.90 3g3o s PRO 227 Ca -0.02 1.32 -0.01 0.00 0.05 0.00 0.00 61.00 62.35 3g3o s PRO 227 Cb -0.03 -1.95 -0.03 0.00 0.05 0.00 0.00 34.50 32.54 3g3o s PRO 227 CO -0.01 -1.28 -0.04 0.54 0.05 0.00 0.00 177.00 176.26 3g3o s VAL 228 N -2.47 3.90 0.21 -0.36 0.11 -1.26 -1.78 120.40 118.74 3g3o s VAL 228 Ca 0.65 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 59.01 3g3o s VAL 228 Cb -0.19 -2.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.95 3g3o s VAL 228 CO 0.44 0.58 1.24 -0.76 -3.33 0.00 0.00 175.10 173.27 3g3o s LEU 229 N -0.64 4.44 -0.12 2.54 1.02 -0.32 -5.01 118.68 120.60 3g3o s LEU 229 Ca 0.10 2.33 0.03 0.00 0.02 0.00 0.00 54.13 56.60 3g3o s LEU 229 Cb -0.12 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.49 3g3o s LEU 229 CO 0.02 -0.42 -0.21 0.68 0.02 0.00 0.00 176.35 176.43 3g3o s VAL 230 N -0.16 1.97 0.00 -1.59 -7.23 -1.26 -4.65 120.40 107.48 3g3o s VAL 230 Ca 0.53 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 3g3o s VAL 230 Cb -0.34 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 34.86 3g3o s VAL 230 CO 0.39 0.53 0.00 0.47 -0.31 0.00 0.00 175.10 176.18 3g3o n ASP 275 N 3.93 0.00 -4.78 4.85 8.00 -1.26 -5.21 116.55 122.08 3g3o n ASP 275 Ca -0.20 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.94 3g3o n ASP 275 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 3g3o n ASP 275 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3g3o s PRO 276 N 0.00 4.05 0.34 -0.24 0.04 -1.26 -5.01 135.00 132.93 3g3o s PRO 276 Ca 0.00 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 3g3o s PRO 276 Cb 0.00 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 3g3o s PRO 276 CO 0.00 -0.24 1.04 -0.51 0.04 0.00 0.00 177.00 177.33 3g3o s LEU 277 N -2.85 4.32 -0.14 -3.56 1.43 -1.26 -4.67 118.68 111.94 3g3o s LEU 277 Ca 0.60 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 3g3o s LEU 277 Cb -0.22 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 3g3o s LEU 277 CO 0.27 -0.29 0.25 -0.63 0.23 0.00 0.00 176.35 176.18 3g3o s ILE 278 N -1.49 5.33 -0.23 -0.59 1.01 0.32 -0.24 121.20 125.31 3g3o s ILE 278 Ca 0.52 0.45 -0.08 0.00 0.00 0.00 0.00 60.65 61.54 3g3o s ILE 278 Cb -0.24 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3g3o s ILE 278 CO 0.31 0.46 0.09 0.20 0.00 0.00 0.00 174.94 176.00 3g3o s ASN 279 N 0.01 5.47 -0.17 3.58 0.01 0.08 -2.47 114.94 121.46 3g3o s ASN 279 Ca 0.15 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.24 3g3o s ASN 279 Cb -0.13 -1.98 0.03 0.00 0.41 0.00 0.00 41.25 39.59 3g3o s ASN 279 CO 0.04 0.03 -0.13 0.42 -1.51 0.00 0.00 177.10 175.95 3g3o s THR 280 N 1.23 1.61 -0.37 1.60 -4.23 0.01 -1.70 115.64 113.78 3g3o s THR 280 Ca 0.05 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.74 3g3o s THR 280 Cb -0.14 -1.57 0.08 0.00 1.34 0.00 0.00 72.50 72.20 3g3o s THR 280 CO 0.04 0.35 0.15 -0.22 -0.54 0.00 0.00 174.62 174.41 3g3o s LEU 281 N 1.45 4.76 0.30 4.79 2.96 0.52 0.23 118.68 133.68 3g3o s LEU 281 Ca 0.03 -1.58 -0.16 0.00 -0.22 0.00 0.00 54.13 52.20 3g3o s LEU 281 Cb -0.14 -1.85 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 3g3o s LEU 281 CO -0.10 -0.44 0.73 -0.31 -1.32 0.00 0.00 176.35 174.91 3g3o s TYR 282 N 1.28 3.43 0.17 5.38 1.51 0.27 -0.71 117.35 128.67 3g3o s TYR 282 Ca 0.02 1.24 0.05 0.00 -1.01 0.00 0.00 57.07 57.37 3g3o s TYR 282 Cb -0.22 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 3g3o s TYR 282 CO -0.01 0.15 0.12 -0.06 -1.11 0.00 0.00 175.55 174.64 3g3o s PHE 283 N -1.89 3.12 0.27 2.71 0.40 0.18 -0.87 117.98 121.90 3g3o s PHE 283 Ca 0.52 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.62 3g3o s PHE 283 Cb -0.11 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 41.98 3g3o s PHE 283 CO 0.18 0.52 0.91 0.34 0.70 0.00 0.00 175.22 177.87 3g3o s ASP 284 N -3.09 -0.02 0.53 1.36 -1.08 -0.84 -4.61 116.67 108.92 3g3o s ASP 284 Ca 0.31 -0.86 0.08 0.00 -0.52 0.00 0.00 52.55 51.56 3g3o s ASP 284 Cb -0.10 0.66 0.06 0.00 -1.46 0.00 0.00 42.92 42.08 3g3o s ASP 284 CO 0.23 -1.31 0.65 0.54 0.52 0.00 0.00 175.17 175.80 3g3o s ASN 285 N -3.21 5.09 0.04 -0.34 2.20 -1.26 -1.10 114.94 116.35 3g3o s ASN 285 Ca 0.18 -0.85 0.20 0.00 -0.94 0.00 0.00 52.86 51.45 3g3o s ASN 285 Cb -0.04 0.10 0.86 0.00 -2.00 0.00 0.00 41.25 40.17 3g3o s ASN 285 CO 0.08 -1.15 1.65 -1.84 -2.94 0.00 0.00 177.10 172.90 3g3o n GLU 286 N -2.03 0.04 -0.03 3.55 0.28 -1.26 -0.33 120.64 120.86 3g3o n GLU 286 Ca 0.10 0.19 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 3g3o n GLU 286 Cb 0.62 -1.56 0.55 0.00 1.43 0.00 0.00 31.44 32.48 3g3o n GLU 286 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3g3o n HIS 287 N -1.62 0.07 -3.30 -1.84 8.25 -1.26 -4.94 115.22 110.58 3g3o n HIS 287 Ca 0.05 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 3g3o n HIS 287 Cb 0.24 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.37 3g3o n HIS 287 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3g3o n PHE 288 N -0.11 -1.98 -0.29 4.41 3.72 0.55 -4.88 117.46 118.89 3g3o n PHE 288 Ca 0.18 0.57 -0.04 0.00 -0.05 0.00 0.00 57.45 58.11 3g3o n PHE 288 Cb 0.27 -3.81 0.08 0.00 -0.94 0.00 0.00 39.48 35.07 3g3o n PHE 288 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3g3o h GLU 289 N -1.36 1.02 -0.54 -1.08 5.08 -1.92 -0.33 114.58 115.45 3g3o h GLU 289 Ca -0.50 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 57.71 3g3o h GLU 289 Cb 1.33 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3g3o h GLU 289 CO 0.57 0.68 -0.04 -0.07 -1.00 0.00 0.00 179.01 179.15 3g3o h LEU 290 N 1.05 0.96 -0.09 1.33 3.38 -1.91 -0.22 115.31 119.81 3g3o h LEU 290 Ca 0.30 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3g3o h LEU 290 Cb -0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 3g3o h LEU 290 CO -0.07 1.05 0.05 0.22 0.09 0.00 0.00 178.44 179.78 3g3o h TYR 291 N 0.85 0.11 -0.34 1.13 3.20 -1.86 0.21 116.97 120.27 3g3o h TYR 291 Ca 0.15 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3g3o h TYR 291 Cb 0.58 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3g3o h TYR 291 CO 0.04 0.10 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.75 3g3o h ASN 292 N 0.09 -0.15 -0.68 -2.11 2.35 -0.84 -1.30 115.58 112.94 3g3o h ASN 292 Ca 0.03 0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3g3o h ASN 292 Cb 0.02 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3g3o h ASN 292 CO -0.01 -0.04 0.16 0.44 -1.65 0.00 0.00 177.43 176.34 3g3o h ASP 293 N 0.09 1.04 -0.06 5.81 3.32 -0.91 -1.23 116.42 124.48 3g3o h ASP 293 Ca 0.16 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 3g3o h ASP 293 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3g3o h ASP 293 CO -0.28 1.00 -0.31 0.50 -1.72 0.00 0.00 179.24 178.43 3g3o h LYS 294 N 1.05 0.53 0.13 3.56 1.63 -0.59 0.46 116.57 123.34 3g3o h LYS 294 Ca 0.22 -0.23 -0.30 0.00 -0.85 0.00 0.00 60.65 59.49 3g3o h LYS 294 Cb 0.37 -0.02 0.03 0.00 -0.60 0.00 0.00 32.23 32.01 3g3o h LYS 294 CO 0.00 0.78 -1.27 1.25 -3.45 0.00 0.00 179.45 176.76 3g3o h LEU 295 N 0.45 0.89 0.00 5.20 5.85 -1.13 -3.32 115.31 123.25 3g3o h LEU 295 Ca 0.06 -0.83 -0.14 0.00 0.84 0.00 0.00 57.88 57.80 3g3o h LEU 295 Cb 0.77 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3g3o h LEU 295 CO 0.06 1.63 -0.98 -0.07 -0.34 0.00 0.00 178.44 178.75 3g3o h LEU 296 N 0.27 0.00 -1.32 2.25 3.38 -1.16 -3.48 115.31 115.25 3g3o h LEU 296 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3g3o h LEU 296 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3g3o h LEU 296 CO 0.24 0.58 0.00 1.17 0.09 0.00 0.00 178.44 180.53 3g3o n LYS 297 N -3.08 0.00 -4.18 1.13 0.00 0.15 -5.07 118.16 107.11 3g3o n LYS 297 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 57.98 3g3o n LYS 297 Cb 0.80 -1.72 -0.09 0.00 0.00 0.00 0.00 35.03 34.02 3g3o n LYS 297 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3g3o s LEU 298 N -1.32 3.28 -1.46 3.14 1.43 -0.61 -4.76 118.68 118.37 3g3o s LEU 298 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 3g3o s LEU 298 Cb 0.00 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.26 3g3o s LEU 298 CO 0.00 0.15 1.04 -0.46 0.23 0.00 0.00 176.35 177.31 3g3o n ASN 299 N 0.43 -5.50 0.00 2.29 2.04 -1.26 -1.73 115.26 111.53 3g3o n ASN 299 Ca -0.11 -0.65 0.00 0.00 -0.44 0.00 0.00 54.58 53.37 3g3o n ASN 299 Cb 0.53 -4.36 0.00 0.00 -2.53 0.00 0.00 39.78 33.42 3g3o n ASN 299 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3g3o n SER 300 N -2.88 0.00 -3.59 0.53 7.64 -1.26 -4.28 113.62 109.78 3g3o n SER 300 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 3g3o n SER 300 Cb 0.54 -0.90 0.04 0.00 -1.01 0.00 0.00 64.21 62.88 3g3o n SER 300 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g3o n ALA 301 N 0.82 -2.56 -1.75 -0.43 0.00 -0.71 -3.23 120.51 112.66 3g3o n ALA 301 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 3g3o n ALA 301 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 19.45 15.56 3g3o n ALA 301 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g3o s PRO 302 N -5.50 3.37 0.26 0.00 0.05 -1.26 -4.51 135.00 127.41 3g3o s PRO 302 Ca 0.41 1.53 0.11 0.00 0.05 0.00 0.00 61.00 63.09 3g3o s PRO 302 Cb -0.13 -2.02 -0.05 0.00 0.05 0.00 0.00 34.50 32.35 3g3o s PRO 302 CO 0.84 -0.81 -0.14 0.95 0.05 0.00 0.00 177.00 177.89 3g3o s THR 303 N -1.90 2.80 -0.02 1.26 -4.23 -0.26 -4.88 115.64 108.40 3g3o s THR 303 Ca 0.71 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 3g3o s THR 303 Cb -0.22 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3g3o s THR 303 CO 0.28 -0.34 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.78 3g3o s LEU 304 N -3.41 1.36 0.08 4.79 2.96 -1.26 -0.89 118.68 122.31 3g3o s LEU 304 Ca 0.29 -0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 54.04 3g3o s LEU 304 Cb -0.06 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.41 3g3o s LEU 304 CO 0.16 -0.07 0.26 0.00 -1.32 0.00 0.00 176.35 175.38 3g3o s ARG 305 N 0.77 0.86 -0.14 1.98 1.70 -0.46 -0.64 118.95 123.01 3g3o s ARG 305 Ca -0.08 -0.75 -0.11 0.00 -0.47 0.00 0.00 55.73 54.32 3g3o s ARG 305 Cb -0.11 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 3g3o s ARG 305 CO -0.01 -0.29 0.22 -0.51 -1.08 0.00 0.00 175.30 173.63 3g3o s LEU 306 N -2.54 4.30 -0.03 -1.89 1.43 0.12 -0.79 118.68 119.27 3g3o s LEU 306 Ca 0.01 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3g3o s LEU 306 Cb 0.02 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3g3o s LEU 306 CO -0.08 0.23 -0.10 -0.60 0.23 0.00 0.00 176.35 176.04 3g3o s ARG 307 N -0.15 1.09 0.09 1.70 3.52 0.89 -0.36 118.95 125.74 3g3o s ARG 307 Ca 0.14 -0.32 -0.16 0.00 -0.13 0.00 0.00 55.73 55.26 3g3o s ARG 307 Cb -0.13 -0.99 0.03 0.00 -1.56 0.00 0.00 34.95 32.30 3g3o s ARG 307 CO 0.03 0.09 0.39 1.67 -0.81 0.00 0.00 175.30 176.68 3g3o s TRP 308 N 0.30 -0.21 0.02 5.12 -2.14 -0.69 -1.22 118.94 120.13 3g3o s TRP 308 Ca -0.05 -0.00 0.03 0.00 2.66 0.00 0.00 56.10 58.73 3g3o s TRP 308 Cb -0.10 0.23 -0.04 0.00 -3.10 0.00 0.00 33.47 30.46 3g3o s TRP 308 CO 0.01 -0.64 -0.02 0.99 -2.66 0.00 0.00 176.95 174.63 3g3o s THR 309 N -3.28 3.99 0.00 0.66 2.01 -1.26 -0.74 115.64 117.02 3g3o s THR 309 Ca -0.00 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3g3o s THR 309 Cb 0.01 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.72 3g3o s THR 309 CO -0.08 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 3g3o n GLY 310 N 1.25 -1.57 3.70 4.40 0.00 0.67 -4.78 105.19 108.85 3g3o n GLY 310 Ca -0.14 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 3g3o n GLY 310 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g3o s GLN 311 N 0.00 4.41 0.65 1.61 0.74 -1.26 -4.81 119.66 121.00 3g3o s GLN 311 Ca 0.00 0.94 0.24 0.00 0.05 0.00 0.00 55.36 56.59 3g3o s GLN 311 Cb 0.00 -3.48 1.26 0.00 1.10 0.00 0.00 33.01 31.89 3g3o s GLN 311 CO 0.00 -0.05 1.71 1.25 -0.55 0.00 0.00 175.29 177.65 3g3o h LEU 312 N 7.18 0.00 -0.96 3.68 5.85 -1.86 -0.46 115.31 128.73 3g3o h LEU 312 Ca -0.38 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 3g3o h LEU 312 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3g3o h LEU 312 CO 0.77 0.00 -0.14 0.28 -0.34 0.00 0.00 178.44 179.02 3g3o h SER 313 N 0.00 0.59 0.00 1.25 0.02 -1.91 -2.85 113.55 110.65 3g3o h SER 313 Ca 0.04 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3g3o h SER 313 Cb 1.07 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3g3o h SER 313 CO -0.00 0.75 0.00 0.47 -1.14 0.00 0.00 176.83 176.91 3g3o n ASP 314 N -4.18 0.29 -3.45 3.07 8.00 -0.18 -4.88 116.55 115.23 3g3o n ASP 314 Ca 0.01 -1.94 -0.19 0.00 0.71 0.00 0.00 54.79 53.38 3g3o n ASP 314 Cb 0.35 -0.14 0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3g3o n ASP 314 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g3o n LYS 315 N -0.35 -3.83 -1.47 -1.24 5.02 -1.07 -4.97 118.16 110.25 3g3o n LYS 315 Ca 0.00 0.76 -0.29 0.00 -2.02 0.00 0.00 58.31 56.76 3g3o n LYS 315 Cb 0.07 -5.49 0.13 0.00 -0.02 0.00 0.00 35.03 29.73 3g3o n LYS 315 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3g3o s PRO 316 N -5.18 1.24 0.34 1.97 0.04 -1.26 -5.01 135.00 127.14 3g3o s PRO 316 Ca 0.25 0.42 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 3g3o s PRO 316 Cb -0.05 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 3g3o s PRO 316 CO 0.77 -2.16 1.20 -0.51 0.04 0.00 0.00 177.00 176.34 3g3o s ASP 317 N -3.89 6.85 -0.12 6.66 1.01 -1.26 -4.93 116.67 121.00 3g3o s ASP 317 Ca 0.63 2.46 0.02 0.00 0.71 0.00 0.00 52.55 56.37 3g3o s ASP 317 Cb -0.15 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.16 3g3o s ASP 317 CO 0.54 -0.45 -0.18 -0.63 0.21 0.00 0.00 175.17 174.66 3g3o s ILE 318 N -1.23 1.72 -0.10 0.77 1.01 -1.26 -4.43 121.20 117.68 3g3o s ILE 318 Ca 0.50 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3g3o s ILE 318 Cb -0.35 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3g3o s ILE 318 CO 0.45 0.49 0.01 -0.36 0.00 0.00 0.00 174.94 175.52 3g3o s PHE 319 N 0.93 3.16 -0.23 3.97 0.08 -0.36 -0.64 117.98 124.90 3g3o s PHE 319 Ca -0.06 0.13 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 3g3o s PHE 319 Cb -0.15 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 3g3o s PHE 319 CO -0.02 0.38 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.30 3g3o s LEU 320 N -0.61 3.06 -0.05 -0.37 2.96 0.55 -0.07 118.68 124.14 3g3o s LEU 320 Ca 0.10 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3g3o s LEU 320 Cb -0.12 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.80 3g3o s LEU 320 CO 0.02 -0.02 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.36 3g3o s GLU 321 N 1.47 1.05 -0.17 1.98 2.02 0.03 -0.73 118.70 124.36 3g3o s GLU 321 Ca 0.06 -0.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 3g3o s GLU 321 Cb -0.14 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 33.07 3g3o s GLU 321 CO -0.01 -0.07 -0.11 0.21 0.02 0.00 0.00 175.26 175.30 3g3o s LYS 322 N 0.92 3.32 -0.15 1.61 2.20 0.75 -1.36 119.74 127.04 3g3o s LYS 322 Ca -0.11 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 3g3o s LYS 322 Cb -0.15 -2.75 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 3g3o s LYS 322 CO 0.00 0.00 -0.21 0.21 -0.36 0.00 0.00 175.35 175.00 3g3o s LYS 323 N 0.89 3.03 -0.05 4.03 2.20 -0.07 -0.40 119.74 129.38 3g3o s LYS 323 Ca -0.03 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 3g3o s LYS 323 Cb -0.15 -2.48 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 3g3o s LYS 323 CO -0.00 -0.06 -0.09 0.99 -0.36 0.00 0.00 175.35 175.83 3g3o s THR 324 N 0.93 0.87 -0.68 3.43 2.01 0.01 -1.10 115.64 121.10 3g3o s THR 324 Ca -0.04 -0.35 -0.27 0.00 0.31 0.00 0.00 61.69 61.34 3g3o s THR 324 Cb -0.15 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.56 3g3o s THR 324 CO -0.04 0.29 1.47 -0.22 -0.69 0.00 0.00 174.62 175.42 3g3o s LEU 325 N 0.60 3.23 -0.29 4.42 2.96 -1.20 0.20 118.68 128.59 3g3o s LEU 325 Ca -0.11 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3g3o s LEU 325 Cb -0.14 -2.61 0.53 0.00 0.50 0.00 0.00 46.19 44.47 3g3o s LEU 325 CO 0.02 -1.98 1.62 -0.38 -1.32 0.00 0.00 176.35 174.31 3g3o n ILE 326 N 6.68 2.49 0.00 6.68 5.41 -1.26 -4.77 119.36 134.59 3g3o n ILE 326 Ca 0.09 -1.33 0.00 0.00 1.00 0.00 0.00 62.75 62.51 3g3o n ILE 326 Cb 0.50 -0.54 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 3g3o n ILE 326 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3g3o n SER 334 N -0.41 0.00 -3.71 4.38 7.64 -1.26 -4.98 113.62 115.27 3g3o n SER 334 Ca 0.38 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.11 3g3o n SER 334 Cb 1.27 -0.09 -0.15 0.00 -1.01 0.00 0.00 64.21 64.23 3g3o n SER 334 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3g3o s GLU 335 N 0.00 0.06 0.15 1.43 -1.05 -1.26 -4.69 118.70 113.34 3g3o s GLU 335 Ca 0.00 0.45 -0.30 0.00 -0.15 0.00 0.00 54.97 54.97 3g3o s GLU 335 Cb 0.00 -0.23 -0.07 0.00 -0.44 0.00 0.00 34.13 33.39 3g3o s GLU 335 CO 0.00 -0.23 1.18 -0.06 0.95 0.00 0.00 175.26 177.10 3g3o s PHE 336 N 1.66 3.46 -0.14 4.83 0.08 -1.26 -4.48 117.98 122.13 3g3o s PHE 336 Ca -0.04 1.42 -0.04 0.00 0.12 0.00 0.00 56.93 58.39 3g3o s PHE 336 Cb -0.12 -3.40 -0.03 0.00 -0.57 0.00 0.00 43.02 38.90 3g3o s PHE 336 CO -0.06 -1.12 0.00 0.34 -0.10 0.00 0.00 175.22 174.29 3g3o s ASP 337 N 0.34 5.18 -0.17 1.36 2.15 0.13 -4.90 116.67 120.76 3g3o s ASP 337 Ca 0.54 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.54 3g3o s ASP 337 Cb -0.31 -1.75 0.01 0.00 -0.30 0.00 0.00 42.92 40.56 3g3o s ASP 337 CO 0.34 0.23 -0.17 -0.22 -0.17 0.00 0.00 175.17 175.18 3g3o s LEU 338 N 0.00 2.35 -0.23 -1.34 2.96 -1.26 -0.81 118.68 120.35 3g3o s LEU 338 Ca 0.03 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 3g3o s LEU 338 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3g3o s LEU 338 CO 0.02 0.05 0.06 -0.89 -1.32 0.00 0.00 176.35 174.27 3g3o s THR 339 N 1.02 4.38 -0.10 3.68 2.01 0.47 -4.96 115.64 122.15 3g3o s THR 339 Ca -0.02 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3g3o s THR 339 Cb -0.15 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.36 3g3o s THR 339 CO -0.04 0.37 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.40 3g3o s LYS 340 N 1.30 1.67 -0.01 4.92 2.20 -1.26 -0.17 119.74 128.39 3g3o s LYS 340 Ca 0.05 -0.35 0.08 0.00 -0.36 0.00 0.00 55.97 55.39 3g3o s LYS 340 Cb -0.15 -1.56 -0.02 0.00 -1.51 0.00 0.00 37.83 34.59 3g3o s LYS 340 CO 0.03 -0.14 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.13 3g3o s LEU 341 N 1.26 2.16 -0.20 5.43 1.43 0.09 -4.97 118.68 123.87 3g3o s LEU 341 Ca -0.03 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 3g3o s LEU 341 Cb -0.14 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3g3o s LEU 341 CO -0.04 0.31 0.28 -1.58 0.23 0.00 0.00 176.35 175.56 3g3o s GLN 342 N -0.75 4.16 -0.12 1.70 0.74 -1.26 -0.33 119.66 123.80 3g3o s GLN 342 Ca 0.11 -0.00 0.02 0.00 0.05 0.00 0.00 55.36 55.53 3g3o s GLN 342 Cb -0.10 -3.50 -0.00 0.00 1.10 0.00 0.00 33.01 30.50 3g3o s GLN 342 CO -0.00 0.08 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.13 3g3o s LEU 343 N 0.97 2.39 0.24 3.68 1.43 0.18 -4.96 118.68 122.61 3g3o s LEU 343 Ca 0.14 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3g3o s LEU 343 Cb -0.14 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.48 3g3o s LEU 343 CO 0.05 0.14 1.28 -0.54 0.23 0.00 0.00 176.35 177.51 3g3o s LYS 344 N 0.48 4.42 0.27 1.70 -0.14 -1.26 -4.21 119.74 121.00 3g3o s LYS 344 Ca -0.12 2.05 -0.00 0.00 -1.36 0.00 0.00 55.97 56.53 3g3o s LYS 344 Cb -0.17 -3.17 0.51 0.00 -1.68 0.00 0.00 37.83 33.33 3g3o s LYS 344 CO 0.05 -0.17 1.82 0.37 -0.76 0.00 0.00 175.35 176.66 3g3o h GLN 345 N 4.71 0.87 0.00 1.68 4.15 -1.95 -0.22 115.11 124.36 3g3o h GLN 345 Ca -0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3g3o h GLN 345 Cb 1.22 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3g3o h GLN 345 CO 0.73 0.58 0.00 0.36 -1.93 0.00 0.00 178.83 178.57 3g3o n LYS 346 N -4.68 0.08 0.00 1.69 2.85 -1.26 -2.17 118.16 114.67 3g3o n LYS 346 Ca 0.17 0.09 0.12 0.00 -1.05 0.00 0.00 58.31 57.64 3g3o n LYS 346 Cb 0.34 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.33 3g3o n LYS 346 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3g3o n PHE 347 N -1.45 0.00 -0.17 5.58 3.01 -0.10 -4.57 117.46 119.77 3g3o n PHE 347 Ca 0.07 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 3g3o n PHE 347 Cb 0.25 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.69 3g3o n PHE 347 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g3o h ILE 348 N 1.81 1.19 -0.28 4.37 2.04 -1.43 -1.54 117.51 123.67 3g3o h ILE 348 Ca 0.00 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.34 3g3o h ILE 348 Cb 0.65 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3g3o h ILE 348 CO 0.00 0.21 0.17 0.78 0.00 0.00 0.00 178.15 179.31 3g3o h ASN 349 N 0.64 0.27 -0.76 1.72 2.35 -1.80 -0.33 115.58 117.67 3g3o h ASN 349 Ca 0.17 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3g3o h ASN 349 Cb 0.11 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3g3o h ASN 349 CO -0.02 0.20 0.32 1.23 -1.65 0.00 0.00 177.43 177.51 3g3o h GLY 350 N 0.34 1.21 0.89 2.83 0.00 -1.80 0.18 103.07 106.72 3g3o h GLY 350 Ca 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 3g3o h GLY 350 CO -0.05 0.61 -0.02 -2.75 0.00 0.00 0.00 176.54 174.34 3g3o h PHE 351 N 1.10 0.60 0.00 5.60 3.57 -0.73 -1.14 116.94 125.94 3g3o h PHE 351 Ca 0.26 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3g3o h PHE 351 Cb 0.19 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3g3o h PHE 351 CO 0.02 0.69 -1.11 0.44 -2.23 0.00 0.00 178.31 176.11 3g3o n ILE 352 N -4.54 0.40 -0.05 1.41 -5.35 -0.18 -4.11 119.36 106.93 3g3o n ILE 352 Ca -0.03 -0.44 -0.04 0.00 -0.27 0.00 0.00 62.75 61.97 3g3o n ILE 352 Cb 0.27 -0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 37.93 3g3o n ILE 352 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3g3o n PHE 353 N -2.40 0.00 -0.66 4.28 0.99 0.60 -4.77 117.46 115.51 3g3o n PHE 353 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 3g3o n PHE 353 Cb 0.52 -0.56 0.08 0.00 -1.00 0.00 0.00 39.48 38.52 3g3o n PHE 353 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3g3o n GLU 354 N -2.38 1.93 -1.83 -1.08 1.02 -0.48 -4.97 120.64 112.86 3g3o n GLU 354 Ca -0.17 -2.11 -0.18 0.00 -0.02 0.00 0.00 57.16 54.68 3g3o n GLU 354 Cb 0.82 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.91 3g3o n GLU 354 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3o n GLY 355 N -1.03 0.93 3.72 0.62 0.00 -1.14 -4.89 105.19 103.41 3g3o n GLY 355 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3g3o n GLY 355 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3o s ASP 356 N -2.35 6.56 0.00 1.61 -1.08 -0.89 -4.91 116.67 115.61 3g3o s ASP 356 Ca 0.00 2.67 0.20 0.00 -0.52 0.00 0.00 52.55 54.90 3g3o s ASP 356 Cb 0.00 -2.60 0.12 0.00 -1.46 0.00 0.00 42.92 38.98 3g3o s ASP 356 CO 0.00 -0.83 1.10 0.29 0.52 0.00 0.00 175.17 176.25 3g3o n LYS 357 N 3.61 1.74 0.07 4.34 5.02 -1.26 -4.59 118.16 127.09 3g3o n LYS 357 Ca 0.13 -1.52 -0.08 0.00 -2.02 0.00 0.00 58.31 54.81 3g3o n LYS 357 Cb 0.38 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.04 3g3o n LYS 357 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3g3o h LYS 358 N 3.55 0.28 -0.30 1.97 2.10 -1.99 -1.27 116.57 120.91 3g3o h LYS 358 Ca 0.00 -0.25 -0.05 0.00 -2.00 0.00 0.00 60.65 58.35 3g3o h LYS 358 Cb 0.80 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 3g3o h LYS 358 CO 0.00 0.93 0.00 0.35 -2.00 0.00 0.00 179.45 178.73 3g3o h PHE 359 N 0.18 0.57 -0.25 0.07 3.57 -1.96 0.96 116.94 120.07 3g3o h PHE 359 Ca -0.03 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.43 3g3o h PHE 359 Cb 1.37 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 3g3o h PHE 359 CO 0.03 0.66 -0.15 -0.22 -2.23 0.00 0.00 178.31 176.40 3g3o h LYS 360 N 0.32 -0.12 -0.07 1.11 3.64 -1.84 -0.65 116.57 118.96 3g3o h LYS 360 Ca 0.08 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3g3o h LYS 360 Cb 0.43 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3g3o h LYS 360 CO 0.01 -0.08 -0.07 0.93 -2.27 0.00 0.00 179.45 177.98 3g3o h GLU 361 N -0.12 -0.08 -0.52 1.90 5.08 -0.87 -0.60 114.58 119.35 3g3o h GLU 361 Ca 0.14 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3g3o h GLU 361 Cb 0.33 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3g3o h GLU 361 CO -0.33 -0.05 0.21 1.96 -1.00 0.00 0.00 179.01 179.79 3g3o h GLN 362 N -0.09 0.76 -0.16 2.33 4.20 -0.77 -1.08 115.11 120.30 3g3o h GLN 362 Ca 0.05 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3g3o h GLN 362 Cb 0.16 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3g3o h GLN 362 CO -0.12 0.63 -0.05 1.15 -0.67 0.00 0.00 178.83 179.77 3g3o h THR 363 N 0.75 1.30 -0.55 -0.54 2.02 -0.42 -1.48 112.91 113.99 3g3o h THR 363 Ca 0.18 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 3g3o h THR 363 Cb 0.16 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3g3o h THR 363 CO -0.02 0.30 -0.01 -0.07 0.37 0.00 0.00 175.52 176.10 3g3o h LEU 364 N -0.00 0.96 -0.08 2.58 3.38 -1.04 -0.47 115.31 120.64 3g3o h LEU 364 Ca 0.04 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3g3o h LEU 364 Cb 0.49 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3g3o h LEU 364 CO 0.02 1.04 -0.09 0.50 0.09 0.00 0.00 178.44 180.00 3g3o h LYS 365 N 0.86 -0.11 -0.46 1.13 3.64 -1.11 0.10 116.57 120.63 3g3o h LYS 365 Ca 0.16 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3g3o h LYS 365 Cb 0.55 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3g3o h LYS 365 CO 0.03 -0.07 0.29 0.87 -2.27 0.00 0.00 179.45 178.30 3g3o h LYS 366 N -0.12 0.58 -0.31 1.90 6.56 -1.01 -1.73 116.57 122.45 3g3o h LYS 366 Ca 0.06 -0.03 -0.08 0.00 -1.06 0.00 0.00 60.65 59.54 3g3o h LYS 366 Cb 0.20 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 3g3o h LYS 366 CO -0.15 0.38 -0.14 -0.07 -2.06 0.00 0.00 179.45 177.41 3g3o h LEU 367 N 0.59 0.53 -0.53 2.94 3.38 -0.74 -1.60 115.31 119.89 3g3o h LEU 367 Ca 0.17 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3g3o h LEU 367 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3g3o h LEU 367 CO -0.05 0.70 -0.23 0.50 0.09 0.00 0.00 178.44 179.45 3g3o h LYS 368 N 0.50 0.95 -0.39 1.13 3.64 -0.55 -1.86 116.57 119.98 3g3o h LYS 368 Ca 0.09 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 3g3o h LYS 368 Cb 0.54 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3g3o h LYS 368 CO 0.03 1.07 -0.02 0.93 -2.27 0.00 0.00 179.45 179.19 3g3o h GLU 369 N 0.82 0.63 -0.01 1.90 5.08 -0.92 -2.88 114.58 119.20 3g3o h GLU 369 Ca 0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3g3o h GLU 369 Cb 0.80 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3g3o h GLU 369 CO 0.07 0.67 -0.10 -1.13 -1.00 0.00 0.00 179.01 177.51 3g3o n SER 370 N -4.24 1.14 0.00 1.42 3.41 -0.64 -4.93 113.62 109.78 3g3o n SER 370 Ca 0.02 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 3g3o n SER 370 Cb 0.28 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3g3o n SER 370 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g3o n GLY 371 N 1.24 1.35 3.71 5.00 0.00 -0.77 -5.08 105.19 110.64 3g3o n GLY 371 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3g3o n GLY 371 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g3o n THR 372 N -0.96 0.27 -1.69 2.61 -1.04 -0.79 -4.91 114.28 107.76 3g3o n THR 372 Ca 0.00 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 3g3o n THR 372 Cb 0.00 -1.87 -0.00 0.00 -1.82 0.00 0.00 70.33 66.63 3g3o n THR 372 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g3o n ALA 373 N 3.36 1.20 -0.32 2.41 0.00 -1.26 -4.73 120.51 121.18 3g3o n ALA 373 Ca 0.14 0.33 0.18 0.00 0.00 0.00 0.00 53.44 54.09 3g3o n ALA 373 Cb 0.34 -2.24 0.36 0.00 0.00 0.00 0.00 19.45 17.91 3g3o n ALA 373 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g3o h GLY 374 N 2.35 1.55 1.61 0.00 0.00 -1.99 -0.61 103.07 105.98 3g3o h GLY 374 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3g3o h GLY 374 CO 0.61 -0.51 0.08 0.07 0.00 0.00 0.00 176.54 176.80 3g3o h ARG 375 N 0.12 0.50 -0.05 4.80 0.11 -2.00 -0.47 114.38 117.39 3g3o h ARG 375 Ca 0.64 -0.08 -0.13 0.00 0.10 0.00 0.00 59.98 60.51 3g3o h ARG 375 Cb 1.40 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 32.40 3g3o h ARG 375 CO -0.76 0.47 -0.48 -0.44 0.10 0.00 0.00 179.97 178.87 3g3o h ASP 376 N 0.50 0.51 -0.70 0.08 3.32 -1.59 -2.43 116.42 116.10 3g3o h ASP 376 Ca 0.12 -0.69 0.06 0.00 0.02 0.00 0.00 57.03 56.54 3g3o h ASP 376 Cb 0.20 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3g3o h ASP 376 CO -0.00 1.13 0.40 -0.07 -1.72 0.00 0.00 179.24 178.97 3g3o h LEU 377 N -0.06 0.60 -0.78 1.55 3.38 -0.86 -1.16 115.31 117.98 3g3o h LEU 377 Ca -0.04 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3g3o h LEU 377 Cb 1.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3g3o h LEU 377 CO 0.10 0.39 -0.18 -0.08 0.09 0.00 0.00 178.44 178.76 3g3o h GLU 378 N 0.73 0.74 -0.37 1.13 4.22 -1.09 -1.00 114.58 118.94 3g3o h GLU 378 Ca 0.32 -0.27 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 3g3o h GLU 378 Cb 0.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3g3o h GLU 378 CO -0.18 0.87 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.38 3g3o h ARG 379 N 0.66 0.68 -0.53 1.92 9.65 -0.98 -1.22 114.38 124.56 3g3o h ARG 379 Ca 0.10 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3g3o h ARG 379 Cb 0.66 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.15 3g3o h ARG 379 CO 0.05 0.81 0.30 1.25 2.80 0.00 0.00 179.97 185.19 3g3o h LEU 380 N 0.49 0.48 -0.97 3.80 5.85 -1.01 -0.96 115.31 122.99 3g3o h LEU 380 Ca 0.10 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3g3o h LEU 380 Cb 0.53 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3g3o h LEU 380 CO 0.03 0.33 0.63 -0.08 -0.34 0.00 0.00 178.44 179.01 3g3o h GLU 381 N 0.60 1.29 -0.70 1.25 4.81 -0.93 -0.95 114.58 119.94 3g3o h GLU 381 Ca 0.22 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3g3o h GLU 381 Cb 0.06 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3g3o h GLU 381 CO -0.11 0.87 0.16 0.93 -0.73 0.00 0.00 179.01 180.12 3g3o h GLU 382 N 1.32 1.13 -0.08 1.92 5.08 -0.44 -2.02 114.58 121.49 3g3o h GLU 382 Ca 0.35 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3g3o h GLU 382 Cb -0.13 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 3g3o h GLU 382 CO -0.07 1.00 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.41 3g3o h ASP 383 N 1.06 -0.26 -0.28 1.42 3.32 -0.70 0.19 116.42 121.17 3g3o h ASP 383 Ca 0.22 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.37 3g3o h ASP 383 Cb 0.39 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3g3o h ASP 383 CO 0.00 -0.12 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.14 3g3o h PHE 384 N -0.11 -0.02 -0.46 4.55 -1.00 -1.03 -2.30 116.94 116.57 3g3o h PHE 384 Ca 0.06 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.72 3g3o h PHE 384 Cb 0.20 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3g3o h PHE 384 CO -0.19 -0.05 -0.26 0.77 -1.61 0.00 0.00 178.31 176.97 3g3o h SER 385 N 0.08 1.01 -0.57 2.17 0.02 -1.14 -1.97 113.55 113.15 3g3o h SER 385 Ca 0.13 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 3g3o h SER 385 Cb 0.17 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3g3o h SER 385 CO -0.22 1.20 0.14 1.05 -1.14 0.00 0.00 176.83 177.85 3g3o h GLU 386 N 0.83 0.92 -0.15 3.45 4.11 -0.43 -0.86 114.58 122.45 3g3o h GLU 386 Ca 0.10 -0.22 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 3g3o h GLU 386 Cb 0.84 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3g3o h GLU 386 CO 0.07 0.86 -0.08 0.82 0.07 0.00 0.00 179.01 180.75 3g3o h ILE 387 N 0.83 1.32 -0.82 -1.06 2.04 -1.39 -1.86 117.51 116.56 3g3o h ILE 387 Ca 0.18 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 3g3o h ILE 387 Cb 0.35 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3g3o h ILE 387 CO 0.00 0.33 0.36 -0.61 0.00 0.00 0.00 178.15 178.23 3g3o h GLN 388 N -0.02 1.21 -0.31 2.37 4.15 -1.31 -1.40 115.11 119.80 3g3o h GLN 388 Ca 0.03 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 3g3o h GLN 388 Cb 0.55 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3g3o h GLN 388 CO 0.02 0.96 -0.29 -0.91 -1.93 0.00 0.00 178.83 176.68 3g3o h ASN 389 N 1.19 0.67 -0.60 -0.69 2.35 -1.12 -0.45 115.58 116.92 3g3o h ASN 389 Ca 0.28 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3g3o h ASN 389 Cb 0.18 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3g3o h ASN 389 CO -0.03 0.92 0.37 0.15 -1.65 0.00 0.00 177.43 177.19 3g3o h PHE 390 N 0.56 0.68 -0.15 1.19 3.57 -0.94 0.27 116.94 122.12 3g3o h PHE 390 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3g3o h PHE 390 Cb 0.77 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3g3o h PHE 390 CO 0.03 0.38 0.03 0.82 -2.23 0.00 0.00 178.31 177.35 3g3o h ILE 391 N 0.72 1.20 0.09 1.41 2.04 -0.90 -2.75 117.51 119.31 3g3o h ILE 391 Ca 0.25 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3g3o h ILE 391 Cb 0.04 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3g3o h ILE 391 CO -0.11 0.19 -0.04 0.40 0.00 0.00 0.00 178.15 178.59 3g3o h ILE 392 N 0.04 1.15 -0.62 -0.67 2.04 -0.72 -1.28 117.51 117.46 3g3o h ILE 392 Ca 0.05 -0.98 0.13 0.00 1.00 0.00 0.00 64.86 65.05 3g3o h ILE 392 Cb 0.27 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3g3o h ILE 392 CO 0.00 0.24 0.42 0.50 0.00 0.00 0.00 178.15 179.31 3g3o h LYS 393 N -0.58 0.30 -0.33 2.37 3.64 -0.55 -2.51 116.57 118.91 3g3o h LYS 393 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3g3o h LYS 393 Cb 0.48 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3g3o h LYS 393 CO 0.02 0.20 0.00 0.09 -2.27 0.00 0.00 179.45 177.49 3g3o n ASN 394 N -4.45 2.90 -3.89 4.20 3.02 -1.04 -4.98 115.26 111.02 3g3o n ASN 394 Ca 0.11 -2.01 -0.28 0.00 -0.03 0.00 0.00 54.58 52.37 3g3o n ASN 394 Cb 0.47 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 3g3o n ASN 394 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g3o n GLU 395 N 0.46 -4.79 -2.57 3.52 1.02 -0.61 -4.61 120.64 113.06 3g3o n GLU 395 Ca 0.11 0.55 -0.35 0.00 -0.02 0.00 0.00 57.16 57.45 3g3o n GLU 395 Cb 0.42 -5.22 -0.04 0.00 -0.02 0.00 0.00 31.44 26.58 3g3o n GLU 395 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3g3o s LEU 396 N -7.06 4.02 0.10 -4.62 1.43 -0.58 -4.42 118.68 107.55 3g3o s LEU 396 Ca 0.39 1.97 -0.04 0.00 -1.03 0.00 0.00 54.13 55.42 3g3o s LEU 396 Cb -0.20 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 3g3o s LEU 396 CO 0.84 -0.58 0.08 0.00 0.23 0.00 0.00 176.35 176.93 3g3o s GLN 397 N -2.81 0.83 0.21 1.70 -2.07 -0.26 -4.91 119.66 112.35 3g3o s GLN 397 Ca 0.61 -1.22 -0.32 0.00 -1.82 0.00 0.00 55.36 52.62 3g3o s GLN 397 Cb -0.19 0.27 -0.12 0.00 -1.09 0.00 0.00 33.01 31.89 3g3o s GLN 397 CO 0.23 -0.23 1.68 -2.14 -1.32 0.00 0.00 175.29 173.52 3g3o s PRO 398 N -3.95 4.14 -0.06 9.60 0.02 -1.26 -1.99 135.00 141.50 3g3o s PRO 398 Ca 0.13 2.56 -0.02 0.00 0.02 0.00 0.00 61.00 63.69 3g3o s PRO 398 Cb 0.07 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 3g3o s PRO 398 CO -0.05 -0.71 -0.07 0.28 -0.33 0.00 0.00 177.00 176.11 3g3o n VAL 399 N 3.80 0.34 -3.54 3.83 0.31 -0.05 -4.23 118.33 118.79 3g3o n VAL 399 Ca 0.15 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3g3o n VAL 399 Cb 0.36 -1.34 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 3g3o n VAL 399 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3g3o s PHE 400 N -2.12 -0.43 0.04 3.52 -0.12 -1.19 0.12 117.98 117.81 3g3o s PHE 400 Ca -0.09 0.36 0.05 0.00 -0.05 0.00 0.00 56.93 57.21 3g3o s PHE 400 Cb 0.03 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 3g3o s PHE 400 CO 0.12 -0.71 -0.10 0.50 -0.05 0.00 0.00 175.22 174.98 3g3o s ARG 401 N -2.99 2.34 -0.10 1.99 3.52 0.01 -0.57 118.95 123.16 3g3o s ARG 401 Ca -0.02 -0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 3g3o s ARG 401 Cb -0.00 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 3g3o s ARG 401 CO -0.06 0.56 -0.04 0.99 -0.81 0.00 0.00 175.30 175.95 3g3o s THR 402 N -1.03 3.96 -0.01 4.11 2.01 0.13 -0.71 115.64 124.09 3g3o s THR 402 Ca 0.18 -0.37 0.07 0.00 0.31 0.00 0.00 61.69 61.88 3g3o s THR 402 Cb -0.11 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 3g3o s THR 402 CO 0.08 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.67 3g3o s VAL 403 N -0.43 1.76 0.15 3.82 1.01 0.13 -0.81 120.40 126.03 3g3o s VAL 403 Ca 0.07 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 3g3o s VAL 403 Cb -0.12 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.85 3g3o s VAL 403 CO 0.02 0.48 0.93 -0.72 0.00 0.00 0.00 175.10 175.81 3g3o s TYR 404 N -0.54 -0.15 -0.04 5.22 -0.85 -1.03 -1.24 117.35 118.71 3g3o s TYR 404 Ca 0.09 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 3g3o s TYR 404 Cb -0.09 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 3g3o s TYR 404 CO -0.01 -0.84 0.01 0.95 -1.52 0.00 0.00 175.55 174.13 3g3o s THR 405 N -3.33 4.25 -0.10 -3.49 -4.23 -0.51 -0.53 115.64 107.69 3g3o s THR 405 Ca 0.12 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 3g3o s THR 405 Cb -0.02 -2.85 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 3g3o s THR 405 CO 0.02 0.47 -0.18 -0.60 -0.54 0.00 0.00 174.62 173.79 3g3o s ARG 406 N -1.28 3.03 -0.17 3.99 3.52 -1.26 -0.70 118.95 126.08 3g3o s ARG 406 Ca 0.17 -0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 3g3o s ARG 406 Cb -0.11 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 3g3o s ARG 406 CO 0.07 0.29 -0.03 0.99 -0.81 0.00 0.00 175.30 175.82 3g3o s THR 407 N 0.10 3.84 -0.08 4.11 2.01 0.95 -4.85 115.64 121.73 3g3o s THR 407 Ca -0.08 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3g3o s THR 407 Cb -0.15 -2.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 3g3o s THR 407 CO 0.05 0.47 -0.22 0.00 -0.69 0.00 0.00 174.62 174.23 3g3o s ALA 408 N 0.62 2.01 -0.08 7.40 0.00 -1.26 -0.73 121.76 129.72 3g3o s ALA 408 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3g3o s ALA 408 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3g3o s ALA 408 CO 0.02 0.31 -0.21 -0.06 0.00 0.00 0.00 175.76 175.82 3g3o s PHE 409 N 0.19 2.23 -0.29 0.00 0.08 0.83 -1.17 117.98 119.85 3g3o s PHE 409 Ca -0.12 -0.85 -0.16 0.00 0.12 0.00 0.00 56.93 55.92 3g3o s PHE 409 Cb -0.16 -1.51 0.17 0.00 -0.57 0.00 0.00 43.02 40.95 3g3o s PHE 409 CO 0.06 -0.34 1.07 -1.14 -0.10 0.00 0.00 175.22 174.77 3g3o s GLN 410 N 0.31 0.26 -0.22 0.44 0.74 -0.74 -1.60 119.66 118.86 3g3o s GLN 410 Ca -0.15 0.48 -0.26 0.00 0.05 0.00 0.00 55.36 55.49 3g3o s GLN 410 Cb -0.16 0.10 -0.00 0.00 1.10 0.00 0.00 33.01 34.04 3g3o s GLN 410 CO 0.07 -0.06 0.87 0.42 -0.55 0.00 0.00 175.29 176.04 3g3o s ILE 411 N 1.43 4.82 0.16 -2.34 1.01 -1.26 -4.36 121.20 120.65 3g3o s ILE 411 Ca -0.08 1.68 -0.33 0.00 0.00 0.00 0.00 60.65 61.93 3g3o s ILE 411 Cb -0.03 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 3g3o s ILE 411 CO -0.14 -0.06 1.06 -2.65 0.00 0.00 0.00 174.94 173.15 3g3o n PRO 412 N 5.83 0.90 -1.40 2.79 -0.02 -1.26 -1.55 135.00 140.30 3g3o n PRO 412 Ca 0.07 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.73 3g3o n PRO 412 Cb 0.48 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 3g3o n PRO 412 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3o n GLY 413 N 1.90 1.31 3.17 -1.23 0.00 -1.26 -4.96 105.19 104.11 3g3o n GLY 413 Ca 0.16 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3g3o n GLY 413 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3o s ASP 414 N -2.52 3.33 0.05 1.61 3.68 -0.59 -5.00 116.67 117.21 3g3o s ASP 414 Ca 0.00 -0.59 0.20 0.00 2.13 0.00 0.00 52.55 54.29 3g3o s ASP 414 Cb 0.00 -1.52 -0.18 0.00 -1.45 0.00 0.00 42.92 39.78 3g3o s ASP 414 CO 0.00 0.02 0.69 0.47 0.13 0.00 0.00 175.17 176.48 3g3o n ASP 415 N 4.50 0.47 -0.35 -0.34 8.00 -1.26 -4.56 116.55 123.01 3g3o n ASP 415 Ca -0.20 0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 3g3o n ASP 415 Cb 0.51 0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 42.49 3g3o n ASP 415 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3g3o h LYS 416 N 0.00 -0.08 -5.34 -1.24 1.57 -1.94 -3.39 116.57 106.15 3g3o h LYS 416 Ca -0.10 0.01 -0.42 0.00 -1.87 0.00 0.00 60.65 58.27 3g3o h LYS 416 Cb 1.28 0.02 -0.22 0.00 0.08 0.00 0.00 32.23 33.39 3g3o h LYS 416 CO 0.01 -0.05 -0.78 0.42 -0.57 0.00 0.00 179.45 178.48 3g3o s ILE 417 N -5.62 1.11 -0.21 1.86 1.01 -1.26 -0.21 121.20 117.89 3g3o s ILE 417 Ca -0.13 -1.26 -0.16 0.00 0.00 0.00 0.00 60.65 59.10 3g3o s ILE 417 Cb 0.12 -1.06 0.06 0.00 0.01 0.00 0.00 42.46 41.59 3g3o s ILE 417 CO 0.64 -0.19 0.54 -0.60 0.00 0.00 0.00 174.94 175.33 3g3o s ARG 418 N -1.65 0.59 -0.06 2.79 3.00 -0.64 -4.70 118.95 118.29 3g3o s ARG 418 Ca -0.01 0.84 0.01 0.00 -1.00 0.00 0.00 55.73 55.57 3g3o s ARG 418 Cb -0.10 0.21 0.02 0.00 0.00 0.00 0.00 34.95 35.08 3g3o s ARG 418 CO 0.02 -0.11 -0.06 0.08 0.00 0.00 0.00 175.30 175.23 3g3o s VAL 419 N 0.76 0.72 0.03 7.11 1.01 -0.63 -1.11 120.40 128.29 3g3o s VAL 419 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3g3o s VAL 419 Cb -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3g3o s VAL 419 CO -0.06 0.28 -0.18 0.42 0.00 0.00 0.00 175.10 175.56 3g3o s THR 420 N 1.06 2.77 -0.12 3.92 -4.23 -0.62 -0.12 115.64 118.30 3g3o s THR 420 Ca -0.08 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3g3o s THR 420 Cb -0.14 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.57 3g3o s THR 420 CO -0.01 0.39 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.68 3g3o s ILE 421 N -0.88 1.56 -0.21 2.99 1.01 0.09 -0.38 121.20 125.38 3g3o s ILE 421 Ca 0.14 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3g3o s ILE 421 Cb -0.10 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3g3o s ILE 421 CO 0.04 0.45 0.05 -1.81 0.00 0.00 0.00 174.94 173.68 3g3o s ASP 422 N 1.13 5.24 0.36 3.58 1.01 -0.13 -0.04 116.67 127.82 3g3o s ASP 422 Ca -0.03 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.19 3g3o s ASP 422 Cb -0.14 -1.91 -0.07 0.00 1.01 0.00 0.00 42.92 41.80 3g3o s ASP 422 CO -0.04 0.07 0.01 -0.44 0.21 0.00 0.00 175.17 174.97 3g3o s SER 423 N 0.99 3.21 -1.50 0.27 0.01 0.12 -0.72 113.70 116.08 3g3o s SER 423 Ca 0.03 -1.33 -0.06 0.00 1.31 0.00 0.00 55.95 55.90 3g3o s SER 423 Cb -0.14 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.84 3g3o s SER 423 CO 0.03 -0.46 0.79 0.59 0.41 0.00 0.00 173.24 174.59 3g3o n ASN 424 N -0.80 -6.19 -4.68 2.44 3.02 -1.26 -1.43 115.26 106.36 3g3o n ASN 424 Ca -0.04 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 3g3o n ASN 424 Cb 0.66 -4.96 -0.03 0.00 -0.61 0.00 0.00 39.78 34.85 3g3o n ASN 424 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3g3o s ILE 425 N -3.22 4.13 0.00 2.41 1.01 -1.26 -4.25 121.20 120.02 3g3o s ILE 425 Ca 0.40 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.54 3g3o s ILE 425 Cb -0.18 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3g3o s ILE 425 CO 0.49 -0.02 -0.10 -0.69 0.00 0.00 0.00 174.94 174.62 3g3o s VAL 426 N 2.48 0.81 -0.10 2.92 1.01 -0.37 -1.03 120.40 126.11 3g3o s VAL 426 Ca 0.58 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 3g3o s VAL 426 Cb -0.26 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3g3o s VAL 426 CO 0.22 0.15 -0.02 -0.36 0.00 0.00 0.00 175.10 175.08 3g3o s PHE 427 N -0.39 3.08 -0.03 5.22 0.08 0.65 -0.69 117.98 125.88 3g3o s PHE 427 Ca 0.03 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.10 3g3o s PHE 427 Cb -0.05 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3g3o s PHE 427 CO -0.00 0.29 -0.00 0.42 -0.10 0.00 0.00 175.22 175.83 3g3o s ILE 428 N -0.49 0.22 0.40 0.64 1.01 0.11 -1.44 121.20 121.66 3g3o s ILE 428 Ca 0.08 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 3g3o s ILE 428 Cb -0.12 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 41.94 3g3o s ILE 428 CO 0.02 0.16 1.36 -0.54 0.00 0.00 0.00 174.94 175.94 3g3o s LYS 429 N 1.09 3.98 -0.22 2.79 1.02 0.33 -0.81 119.74 127.92 3g3o s LYS 429 Ca -0.09 2.28 0.13 0.00 0.02 0.00 0.00 55.97 58.32 3g3o s LYS 429 Cb -0.14 -2.81 0.35 0.00 -0.52 0.00 0.00 37.83 34.71 3g3o s LYS 429 CO -0.02 -0.53 1.31 -1.91 -0.92 0.00 0.00 175.35 173.28 3g3o n GLU 430 N 0.20 1.03 -3.18 1.68 2.13 0.12 -4.84 120.64 117.78 3g3o n GLU 430 Ca 0.03 -1.71 -0.19 0.00 0.66 0.00 0.00 57.16 55.95 3g3o n GLU 430 Cb 0.42 -0.02 0.01 0.00 0.27 0.00 0.00 31.44 32.12 3g3o n GLU 430 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 3g3o s ASP 431 N -1.73 5.79 -0.38 4.31 -4.77 -0.75 -4.05 116.67 115.08 3g3o s ASP 431 Ca 0.13 -0.18 0.05 0.00 -3.30 0.00 0.00 52.55 49.26 3g3o s ASP 431 Cb 0.32 -1.06 0.46 0.00 -1.09 0.00 0.00 42.92 41.55 3g3o s ASP 431 CO -0.09 -0.64 1.43 -1.20 0.70 0.00 0.00 175.17 175.38 3g3o n SER 432 N -1.83 5.06 -0.05 2.11 7.64 -1.26 -1.02 113.62 124.26 3g3o n SER 432 Ca 0.03 -3.77 -0.12 0.00 1.01 0.00 0.00 58.87 56.02 3g3o n SER 432 Cb 0.58 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 3g3o n SER 432 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3g3o h PHE 433 N 1.90 0.29 -2.79 1.43 0.04 -1.95 -3.43 116.94 112.43 3g3o h PHE 433 Ca 0.39 -0.06 -0.54 0.00 2.80 0.00 0.00 57.97 60.56 3g3o h PHE 433 Cb 1.37 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.46 3g3o h PHE 433 CO 1.02 0.53 0.92 0.34 -0.60 0.00 0.00 178.31 180.52 3g3o s ASP 434 N -5.82 6.71 0.27 2.17 2.15 -1.26 -4.90 116.67 115.99 3g3o s ASP 434 Ca -0.14 2.33 -0.00 0.00 0.43 0.00 0.00 52.55 55.16 3g3o s ASP 434 Cb 0.05 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 40.49 3g3o s ASP 434 CO 0.72 -0.81 1.74 0.03 -0.17 0.00 0.00 175.17 176.69 3g3o h ARG 435 N 8.03 0.65 -6.16 4.34 3.08 -2.01 -3.12 114.38 119.20 3g3o h ARG 435 Ca -0.41 -0.20 -0.65 0.00 0.07 0.00 0.00 59.98 58.79 3g3o h ARG 435 Cb 1.19 -0.06 -0.10 0.00 0.08 0.00 0.00 29.97 31.08 3g3o h ARG 435 CO 0.92 0.75 -0.61 -1.21 -1.07 0.00 0.00 179.97 178.75 3g3o s GLU 436 N -4.77 2.87 -1.53 0.04 2.02 -1.26 -4.66 118.70 111.42 3g3o s GLU 436 Ca -0.08 -0.65 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 3g3o s GLU 436 Cb 0.14 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.71 3g3o s GLU 436 CO 0.80 0.59 0.56 0.54 0.02 0.00 0.00 175.26 177.77 3g3o n ARG 437 N 0.76 -3.24 -1.71 1.61 1.74 -1.26 -4.91 116.66 109.65 3g3o n ARG 437 Ca -0.11 0.39 -0.38 0.00 -0.77 0.00 0.00 57.85 56.98 3g3o n ARG 437 Cb 0.52 -4.74 0.05 0.00 -1.02 0.00 0.00 32.46 27.27 3g3o n ARG 437 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3g3o n PRO 438 N -4.42 1.43 -0.19 5.56 -0.04 -1.18 -4.85 135.00 131.32 3g3o n PRO 438 Ca -0.15 0.53 -0.08 0.00 -0.04 0.00 0.00 63.50 63.76 3g3o n PRO 438 Cb 0.61 -2.45 0.02 0.00 -0.04 0.00 0.00 33.50 31.64 3g3o n PRO 438 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3g3o h ILE 439 N 1.13 1.21 -3.45 0.52 2.04 -1.84 -3.40 117.51 113.72 3g3o h ILE 439 Ca -0.50 -0.61 -0.67 0.00 1.00 0.00 0.00 64.86 64.08 3g3o h ILE 439 Cb 1.32 0.62 -0.19 0.00 -0.74 0.00 0.00 36.82 37.83 3g3o h ILE 439 CO 0.55 0.24 -0.67 -0.60 0.00 0.00 0.00 178.15 177.67 3g3o s ARG 440 N -5.64 3.15 0.28 2.37 3.52 -0.19 -4.84 118.95 117.60 3g3o s ARG 440 Ca -0.13 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.66 3g3o s ARG 440 Cb 0.12 -2.76 -0.12 0.00 -1.56 0.00 0.00 34.95 30.63 3g3o s ARG 440 CO 0.78 0.51 1.53 -3.47 -0.81 0.00 0.00 175.30 173.84 3g3o n ASP 441 N 2.70 3.50 0.29 -2.12 2.03 -1.26 -4.37 116.55 117.32 3g3o n ASP 441 Ca -0.18 1.15 0.19 0.00 0.52 0.00 0.00 54.79 56.47 3g3o n ASP 441 Cb 0.53 -1.54 0.94 0.00 -0.72 0.00 0.00 41.12 40.33 3g3o n ASP 441 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3g3o h PRO 442 N 4.56 0.00 -0.54 -0.67 0.11 -1.94 -1.60 132.00 131.93 3g3o h PRO 442 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g3o h PRO 442 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3g3o h PRO 442 CO 0.78 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 3g3o n ASN 443 N -2.96 3.98 -4.29 -2.05 3.02 -1.26 -4.94 115.26 106.76 3g3o n ASN 443 Ca -0.01 -2.29 -0.31 0.00 -0.03 0.00 0.00 54.58 51.93 3g3o n ASN 443 Cb 0.16 -0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.71 3g3o n ASN 443 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g3o s THR 444 N -1.54 2.10 -1.04 3.41 2.01 -0.60 -4.92 115.64 115.05 3g3o s THR 444 Ca 0.42 -1.06 0.23 0.00 0.31 0.00 0.00 61.69 61.59 3g3o s THR 444 Cb 0.26 -1.75 0.21 0.00 0.01 0.00 0.00 72.50 71.23 3g3o s THR 444 CO 0.22 0.57 1.75 -2.67 -0.69 0.00 0.00 174.62 173.80 3g3o n TRP 445 N 2.81 0.00 -3.73 4.92 4.27 -1.26 -4.60 117.44 119.86 3g3o n TRP 445 Ca -0.17 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.33 3g3o n TRP 445 Cb 0.52 -0.48 -0.07 0.00 -1.36 0.00 0.00 31.31 29.92 3g3o n TRP 445 CO 0.00 0.00 0.00 -3.38 -2.29 0.00 0.00 177.69 172.02 3g3o s HIS 446 N -2.96 -0.12 0.07 -2.67 -3.43 -1.26 -4.84 115.29 100.09 3g3o s HIS 446 Ca 0.12 -0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 54.00 3g3o s HIS 446 Cb 0.15 0.13 -0.05 0.00 -1.43 0.00 0.00 32.58 31.38 3g3o s HIS 446 CO 0.42 -0.56 1.04 -0.98 -2.00 0.00 0.00 174.74 172.66 3g3o s ARG 447 N -2.96 4.58 0.23 -0.38 1.70 -1.26 -4.66 118.95 116.19 3g3o s ARG 447 Ca -0.02 1.55 0.23 0.00 -0.47 0.00 0.00 55.73 57.02 3g3o s ARG 447 Cb 0.00 -3.38 0.21 0.00 -0.57 0.00 0.00 34.95 31.21 3g3o s ARG 447 CO -0.06 0.00 1.28 1.79 -1.08 0.00 0.00 175.30 177.23 3g3o h THR 448 N 4.35 0.00 0.13 4.99 1.35 -1.99 -3.34 112.91 118.40 3g3o h THR 448 Ca -0.42 -0.84 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 3g3o h THR 448 Cb 1.21 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3g3o h THR 448 CO 0.75 0.00 -0.06 -2.24 -0.25 0.00 0.00 175.52 173.72 3g3o h ASP 449 N 0.00 -0.15 1.09 5.36 2.03 -1.92 -2.93 116.42 119.91 3g3o h ASP 449 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3g3o h ASP 449 Cb 0.92 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 3g3o h ASP 449 CO 0.00 -0.09 0.00 0.16 -1.03 0.00 0.00 179.24 178.28 3g3o h ILE 450 N -0.20 0.00 -0.02 4.15 3.07 -1.68 -2.14 117.51 120.68 3g3o h ILE 450 Ca -0.02 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3g3o h ILE 450 Cb 0.15 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 3g3o h ILE 450 CO 0.03 0.00 -0.06 0.47 -1.05 0.00 0.00 178.15 177.54 3g3o n ASP 451 N -2.48 2.40 -4.76 2.16 8.00 -1.20 -4.78 116.55 115.89 3g3o n ASP 451 Ca 0.03 -1.76 -0.39 0.00 0.71 0.00 0.00 54.79 53.37 3g3o n ASP 451 Cb 0.32 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 3g3o n ASP 451 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g3o s ALA 452 N -2.07 3.14 -1.30 2.24 0.00 -0.81 -4.60 121.76 118.37 3g3o s ALA 452 Ca 0.30 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 3g3o s ALA 452 Cb 0.20 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.89 3g3o s ALA 452 CO 0.35 -1.03 1.73 -1.71 0.00 0.00 0.00 175.76 175.10 3g3o n ASN 453 N -0.25 4.90 -4.10 0.00 5.15 -1.26 -4.72 115.26 114.97 3g3o n ASN 453 Ca 0.06 -2.93 -0.10 0.00 -0.60 0.00 0.00 54.58 51.01 3g3o n ASN 453 Cb 0.44 -1.69 -0.09 0.00 -0.53 0.00 0.00 39.78 37.91 3g3o n ASN 453 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3g3o s VAL 454 N 3.41 0.07 0.10 3.44 -7.23 -1.26 -5.08 120.40 113.85 3g3o s VAL 454 Ca 0.50 -1.75 -0.23 0.00 -1.81 0.00 0.00 61.98 58.69 3g3o s VAL 454 Cb 0.04 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 3g3o s VAL 454 CO 0.04 -0.31 1.39 0.00 -0.31 0.00 0.00 175.10 175.91 3g3o h ALA 455 N 2.70 -0.57 -3.55 1.32 0.00 -2.03 -3.36 119.26 113.77 3g3o h ALA 455 Ca -0.34 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.96 3g3o h ALA 455 Cb 1.22 1.09 -0.40 0.00 0.00 0.00 0.00 17.79 19.70 3g3o h ALA 455 CO 0.54 -0.79 -0.73 1.21 0.00 0.00 0.00 179.25 179.47 3g3o s ASN 456 N -4.49 4.53 0.00 0.00 2.47 -1.26 -4.97 114.94 111.22 3g3o s ASN 456 Ca -0.10 -1.96 0.27 0.00 0.42 0.00 0.00 52.86 51.49 3g3o s ASN 456 Cb 0.06 -1.40 1.17 0.00 -1.45 0.00 0.00 41.25 39.63 3g3o s ASN 456 CO 0.44 -0.38 1.87 -0.81 -3.72 0.00 0.00 177.10 174.50 3g3o n PRO 457 N 4.43 0.03 -0.02 0.43 -0.05 -1.26 -2.63 135.00 135.93 3g3o n PRO 457 Ca 0.01 0.03 0.13 0.00 -0.05 0.00 0.00 63.50 63.63 3g3o n PRO 457 Cb 0.42 -1.50 0.45 0.00 -0.05 0.00 0.00 33.50 32.82 3g3o n PRO 457 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3g3o n LEU 458 N -1.48 1.74 -0.33 1.53 4.32 -1.26 -3.80 117.00 117.71 3g3o n LEU 458 Ca 0.07 -0.61 0.20 0.00 -0.02 0.00 0.00 56.01 55.66 3g3o n LEU 458 Cb 0.31 -0.02 0.39 0.00 -1.62 0.00 0.00 43.42 42.48 3g3o n LEU 458 CO 0.25 0.30 0.92 0.50 -1.22 0.00 0.00 177.39 178.14 3g3o h LYS 459 N 2.65 0.05 -0.47 3.23 3.64 -1.90 -1.62 116.57 122.16 3g3o h LYS 459 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3g3o h LYS 459 Cb 0.57 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3g3o h LYS 459 CO 0.00 0.04 0.00 1.19 -2.27 0.00 0.00 179.45 178.41 3g3o n PHE 460 N -5.35 0.62 -2.00 1.91 3.72 -1.26 -4.93 117.46 110.16 3g3o n PHE 460 Ca 0.28 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3g3o n PHE 460 Cb 0.93 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.43 3g3o n PHE 460 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3g3o s LEU 461 N -1.15 4.36 0.39 4.37 2.96 -0.61 -5.01 118.68 123.98 3g3o s LEU 461 Ca 0.36 2.42 -0.06 0.00 -0.22 0.00 0.00 54.13 56.64 3g3o s LEU 461 Cb 0.20 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 3g3o s LEU 461 CO 0.27 -0.83 0.69 -0.13 -1.32 0.00 0.00 176.35 175.03 3g3o s ARG 462 N 2.24 3.62 0.24 1.98 0.52 -1.26 -4.99 118.95 121.30 3g3o s ARG 462 Ca 0.71 0.15 -0.05 0.00 -0.52 0.00 0.00 55.73 56.02 3g3o s ARG 462 Cb -0.39 -2.49 0.39 0.00 0.52 0.00 0.00 34.95 32.98 3g3o s ARG 462 CO 0.31 0.00 1.81 0.78 0.02 0.00 0.00 175.30 178.22 3g3o h GLY 463 N 0.98 1.27 1.10 -3.53 0.00 -1.95 0.16 103.07 101.11 3g3o h GLY 463 Ca -0.48 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3g3o h GLY 463 CO 0.63 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.92 3g3o n GLY 464 N -1.32 -0.78 0.34 4.60 0.00 -1.26 -2.79 105.19 103.97 3g3o n GLY 464 Ca 0.13 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3g3o n GLY 464 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g3o n GLU 465 N -1.05 0.84 -3.98 1.61 1.02 0.57 -4.94 120.64 114.71 3g3o n GLU 465 Ca 0.16 -0.68 -0.08 0.00 -0.02 0.00 0.00 57.16 56.54 3g3o n GLU 465 Cb 0.10 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 3g3o n GLU 465 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3g3o s TYR 466 N -2.63 0.32 -0.05 -0.32 -0.85 -1.12 -0.51 117.35 112.19 3g3o s TYR 466 Ca 0.16 -0.75 -0.04 0.00 -0.52 0.00 0.00 57.07 55.92 3g3o s TYR 466 Cb 0.18 -0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.30 3g3o s TYR 466 CO 0.65 -0.39 0.13 0.00 -1.52 0.00 0.00 175.55 174.41 3g3o s ALA 467 N -3.29 -0.30 0.00 9.51 0.00 -0.52 -4.94 121.76 122.22 3g3o s ALA 467 Ca 0.01 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 3g3o s ALA 467 Cb 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 3g3o s ALA 467 CO -0.08 -0.08 0.46 0.15 0.00 0.00 0.00 175.76 176.22 3g3o s LYS 468 N 0.26 4.07 -0.05 0.00 1.02 -1.26 -0.26 119.74 123.52 3g3o s LYS 468 Ca -0.02 0.51 -0.16 0.00 0.02 0.00 0.00 55.97 56.32 3g3o s LYS 468 Cb -0.03 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3g3o s LYS 468 CO -0.01 0.59 0.44 0.12 -0.92 0.00 0.00 175.35 175.57 3g3o s PHE 469 N -0.80 3.64 -0.64 3.18 2.19 -0.20 -4.97 117.98 120.38 3g3o s PHE 469 Ca 0.25 0.95 0.25 0.00 0.33 0.00 0.00 56.93 58.72 3g3o s PHE 469 Cb -0.17 -2.40 0.63 0.00 -1.31 0.00 0.00 43.02 39.76 3g3o s PHE 469 CO 0.14 0.44 1.67 -1.00 1.83 0.00 0.00 175.22 178.31 3g3o h PRO 470 N 5.55 0.00 -6.08 10.12 0.13 -1.98 -3.41 132.00 136.34 3g3o h PRO 470 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 3g3o h PRO 470 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 3g3o h PRO 470 CO 0.68 0.00 -0.67 0.71 -0.23 0.00 0.00 178.00 178.49 3g3o s TYR 471 N -3.14 2.48 0.44 1.56 2.02 -1.26 -4.70 117.35 114.74 3g3o s TYR 471 Ca 0.09 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.19 3g3o s TYR 471 Cb 0.11 -1.30 -0.11 0.00 -0.40 0.00 0.00 41.96 40.26 3g3o s TYR 471 CO 0.63 0.58 0.96 -1.12 -1.57 0.00 0.00 175.55 175.03 3g3o s SER 472 N -3.64 6.88 0.55 2.29 0.01 -0.54 -4.75 113.70 114.51 3g3o s SER 472 Ca 0.33 1.70 0.04 0.00 1.31 0.00 0.00 55.95 59.33 3g3o s SER 472 Cb -0.02 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.71 3g3o s SER 472 CO 0.18 -0.40 0.32 -0.69 0.41 0.00 0.00 173.24 173.06 3g3o s VAL 473 N -2.18 1.43 -0.30 3.43 1.01 0.11 -0.89 120.40 123.01 3g3o s VAL 473 Ca 0.62 -1.61 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3g3o s VAL 473 Cb -0.10 -2.04 0.18 0.00 0.00 0.00 0.00 36.38 34.42 3g3o s VAL 473 CO 0.14 0.00 1.11 -0.70 0.00 0.00 0.00 175.10 175.65 3g3o s GLU 475 N -4.22 0.21 -0.31 2.72 2.12 0.49 -0.95 118.70 118.75 3g3o s GLU 475 Ca 0.25 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.91 3g3o s GLU 475 Cb -0.02 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.52 3g3o s GLU 475 CO 0.16 -0.05 0.13 0.42 -0.54 0.00 0.00 175.26 175.38 3g3o s ILE 476 N 1.63 4.31 -0.31 -3.70 1.01 0.83 -1.59 121.20 123.38 3g3o s ILE 476 Ca -0.06 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 3g3o s ILE 476 Cb -0.03 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3g3o s ILE 476 CO -0.14 0.02 0.33 -0.54 0.00 0.00 0.00 174.94 174.61 3g3o s LYS 477 N 1.55 3.75 0.06 2.79 1.02 -0.27 -0.50 119.74 128.14 3g3o s LYS 477 Ca 0.03 -0.28 0.09 0.00 0.02 0.00 0.00 55.97 55.83 3g3o s LYS 477 Cb -0.17 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 3g3o s LYS 477 CO 0.05 -0.40 -0.23 0.08 -0.92 0.00 0.00 175.35 173.93 3g3o s VAL 478 N 1.98 2.46 -0.58 3.17 1.01 0.64 -1.62 120.40 127.46 3g3o s VAL 478 Ca 0.12 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.75 3g3o s VAL 478 Cb -0.16 -2.02 0.23 0.00 0.00 0.00 0.00 36.38 34.43 3g3o s VAL 478 CO 0.11 0.29 1.00 1.17 0.00 0.00 0.00 175.10 177.67 3g3o n LYS 479 N 1.48 1.94 -0.88 2.72 3.00 0.71 -0.57 118.16 126.56 3g3o n LYS 479 Ca -0.17 -0.94 -0.08 0.00 -0.00 0.00 0.00 58.31 57.13 3g3o n LYS 479 Cb 0.52 -1.62 0.24 0.00 0.00 0.00 0.00 35.03 34.17 3g3o n LYS 479 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3g3o n SER 490 N 0.13 4.23 0.00 3.14 3.41 -1.26 -0.16 113.62 123.11 3g3o n SER 490 Ca 0.11 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 3g3o n SER 490 Cb 0.63 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3g3o n SER 490 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3g3o n ILE 492 N -0.21 0.00 0.00 -1.33 5.41 -1.26 -5.21 119.36 116.77 3g3o n ILE 492 Ca 0.37 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.12 3g3o n ILE 492 Cb 1.26 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.19 3g3o n ILE 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g3o n HIS 501 N 0.00 0.00 0.00 1.39 -0.00 -1.26 -5.31 115.22 110.04 3g3o n HIS 501 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3g3o n HIS 501 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3g3o n HIS 501 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3g3o n GLY 502 N 0.00 1.00 0.06 -1.39 0.00 -1.26 -4.88 105.19 98.72 3g3o n GLY 502 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3g3o n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3o n GLN 503 N -0.62 1.02 0.02 1.61 -0.00 -1.26 -3.08 117.38 115.07 3g3o n GLN 503 Ca 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.00 56.84 3g3o n GLN 503 Cb 0.00 -1.37 0.24 0.00 -0.00 0.00 0.00 30.24 29.11 3g3o n GLN 503 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 3g3o h TRP 504 N 0.32 0.52 -0.30 2.61 5.08 -2.00 -2.73 115.95 119.44 3g3o h TRP 504 Ca 0.00 -0.09 0.07 0.00 1.08 0.00 0.00 58.89 59.95 3g3o h TRP 504 Cb 0.47 -0.13 -0.07 0.00 -3.00 0.00 0.00 29.16 26.42 3g3o h TRP 504 CO 0.00 0.63 -0.19 -0.07 -1.28 0.00 0.00 178.44 177.53 3g3o h LEU 505 N 0.43 -0.62 -0.27 0.11 4.07 -1.90 -0.47 115.31 116.65 3g3o h LEU 505 Ca 0.07 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.19 3g3o h LEU 505 Cb 0.57 0.32 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 3g3o h LEU 505 CO 0.04 -0.23 0.12 0.78 -1.08 0.00 0.00 178.44 178.07 3g3o h ASN 506 N -0.16 0.16 -0.87 -0.43 2.35 -1.58 0.33 115.58 115.39 3g3o h ASN 506 Ca 0.16 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 3g3o h ASN 506 Cb 0.40 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 3g3o h ASN 506 CO -0.40 0.13 0.56 0.44 -1.65 0.00 0.00 177.43 176.51 3g3o h ASP 507 N 0.26 0.92 0.67 5.81 3.32 -1.20 0.17 116.42 126.36 3g3o h ASP 507 Ca 0.12 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3g3o h ASP 507 Cb 0.06 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.41 3g3o h ASP 507 CO -0.10 0.62 -0.32 0.25 -1.72 0.00 0.00 179.24 177.98 3g3o h LEU 508 N 1.07 -0.76 -0.26 1.55 5.85 -0.73 -3.26 115.31 118.77 3g3o h LEU 508 Ca 0.35 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3g3o h LEU 508 Cb 0.03 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3g3o h LEU 508 CO -0.13 -0.39 0.00 0.71 -0.34 0.00 0.00 178.44 178.29 3g3o h THR 509 N -1.16 0.00 -0.77 1.05 1.35 -0.80 -0.98 112.91 111.60 3g3o h THR 509 Ca -0.09 -0.47 -0.35 0.00 -0.55 0.00 0.00 66.41 64.95 3g3o h THR 509 Cb 0.71 1.40 -0.21 0.00 -1.73 0.00 0.00 68.15 68.33 3g3o h THR 509 CO 0.15 0.00 0.44 0.59 -0.25 0.00 0.00 175.52 176.45 3g3o n ASN 510 N -2.39 3.92 -4.79 5.36 3.02 0.58 -4.88 115.26 116.08 3g3o n ASN 510 Ca 0.04 -3.24 -0.23 0.00 -0.03 0.00 0.00 54.58 51.13 3g3o n ASN 510 Cb 0.38 -0.76 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 3g3o n ASN 510 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3g3o s SER 511 N -0.88 4.73 0.00 6.41 0.15 -0.37 -4.97 113.70 118.77 3g3o s SER 511 Ca 0.48 -0.88 0.23 0.00 0.70 0.00 0.00 55.95 56.48 3g3o s SER 511 Cb 0.39 -0.58 1.32 0.00 -1.71 0.00 0.00 66.02 65.45 3g3o s SER 511 CO 0.10 -0.53 1.78 0.00 1.20 0.00 0.00 173.24 175.78 3g3o n HIS 512 N -1.34 0.00 0.17 3.44 1.44 -1.26 -3.88 115.22 113.79 3g3o n HIS 512 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 3g3o n HIS 512 Cb 0.63 -0.11 0.10 0.00 0.12 0.00 0.00 29.99 30.73 3g3o n HIS 512 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3g3o h LEU 513 N 0.00 0.00 -8.20 2.39 3.38 -1.90 -3.44 115.31 107.54 3g3o h LEU 513 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3g3o h LEU 513 Cb 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.64 3g3o h LEU 513 CO 0.00 0.04 -0.71 0.68 0.09 0.00 0.00 178.44 178.54 3g3o s VAL 514 N -3.25 0.43 -0.23 1.22 -7.23 -1.25 -4.59 120.40 105.50 3g3o s VAL 514 Ca 0.04 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 3g3o s VAL 514 Cb 0.07 -0.92 0.05 0.00 0.56 0.00 0.00 36.38 36.14 3g3o s VAL 514 CO 0.72 -0.62 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.05 3g3o s LYS 515 N -2.44 1.96 0.33 4.82 2.47 -0.15 -4.78 119.74 121.95 3g3o s LYS 515 Ca -0.04 -1.05 -0.28 0.00 -1.56 0.00 0.00 55.97 53.05 3g3o s LYS 515 Cb -0.04 -2.62 -0.09 0.00 -1.46 0.00 0.00 37.83 33.62 3g3o s LYS 515 CO -0.03 -0.53 1.10 -2.00 0.16 0.00 0.00 175.35 174.06 3g3o s GLU 516 N 1.31 4.44 -0.35 4.03 2.12 -1.26 -0.73 118.70 128.25 3g3o s GLU 516 Ca -0.05 1.75 -0.00 0.00 0.36 0.00 0.00 54.97 57.03 3g3o s GLU 516 Cb -0.18 -2.96 0.12 0.00 0.26 0.00 0.00 34.13 31.36 3g3o s GLU 516 CO -0.07 0.05 0.16 0.42 -0.54 0.00 0.00 175.26 175.28 3g3o s ILE 517 N -1.32 0.84 0.26 -3.70 -1.09 -0.12 -4.89 121.20 111.19 3g3o s ILE 517 Ca 0.49 -1.74 -0.30 0.00 -2.23 0.00 0.00 60.65 56.88 3g3o s ILE 517 Cb -0.30 -1.62 -0.13 0.00 -1.58 0.00 0.00 42.46 38.83 3g3o s ILE 517 CO 0.38 -0.79 1.33 -2.65 -1.23 0.00 0.00 174.94 171.98 3g3o n PRO 518 N 4.37 1.95 -1.16 2.79 -0.02 -1.26 -2.53 135.00 139.15 3g3o n PRO 518 Ca 0.03 0.69 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3g3o n PRO 518 Cb 0.39 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 3g3o n PRO 518 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3g3o n LYS 519 N 1.57 -1.51 -1.66 -0.52 5.02 -1.26 -4.94 118.16 114.86 3g3o n LYS 519 Ca 0.10 0.63 -0.46 0.00 -2.02 0.00 0.00 58.31 56.56 3g3o n LYS 519 Cb 0.32 -4.87 -0.04 0.00 -0.02 0.00 0.00 35.03 30.43 3g3o n LYS 519 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g3o n PHE 520 N -2.28 2.11 -4.00 2.13 7.35 -1.05 -4.98 117.46 116.74 3g3o n PHE 520 Ca -0.05 0.40 -0.25 0.00 -0.76 0.00 0.00 57.45 56.78 3g3o n PHE 520 Cb 0.46 -2.47 -0.17 0.00 0.35 0.00 0.00 39.48 37.65 3g3o n PHE 520 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3g3o s SER 521 N 0.54 1.88 0.27 -2.13 0.15 -1.26 -4.99 113.70 108.15 3g3o s SER 521 Ca 0.74 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.16 3g3o s SER 521 Cb -0.70 -0.72 0.36 0.00 -1.71 0.00 0.00 66.02 63.25 3g3o s SER 521 CO 0.45 -0.11 1.70 -0.29 1.20 0.00 0.00 173.24 176.19 3g3o h ILE 522 N 6.17 1.27 0.22 6.45 6.09 -1.99 -1.09 117.51 134.64 3g3o h ILE 522 Ca -0.29 -1.30 -0.00 0.00 -1.37 0.00 0.00 64.86 61.90 3g3o h ILE 522 Cb 1.14 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 3g3o h ILE 522 CO 0.39 0.42 -0.16 0.15 -3.07 0.00 0.00 178.15 175.88 3g3o h PHE 523 N 0.46 -0.42 -0.40 2.19 3.57 -1.99 -0.41 116.94 119.95 3g3o h PHE 523 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3g3o h PHE 523 Cb 0.70 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 3g3o h PHE 523 CO 0.03 -0.25 0.23 0.28 -2.23 0.00 0.00 178.31 176.37 3g3o h VAL 524 N -0.39 1.04 -0.65 1.41 2.07 -1.89 -2.15 116.25 115.69 3g3o h VAL 524 Ca -0.01 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3g3o h VAL 524 Cb 0.34 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3g3o h VAL 524 CO -0.00 0.09 0.40 -0.61 0.02 0.00 0.00 177.57 177.46 3g3o h GLN 525 N 0.47 0.75 -0.44 1.57 5.75 -1.09 -1.40 115.11 120.73 3g3o h GLN 525 Ca 0.16 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3g3o h GLN 525 Cb 0.01 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3g3o h GLN 525 CO -0.07 0.50 0.14 0.78 -2.65 0.00 0.00 178.83 177.53 3g3o h GLY 526 N 0.77 0.73 0.91 2.39 0.00 -0.89 0.32 103.07 107.31 3g3o h GLY 526 Ca 0.27 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3g3o h GLY 526 CO -0.12 0.40 0.13 -2.08 0.00 0.00 0.00 176.54 174.87 3g3o h VAL 527 N 0.57 1.01 -0.41 4.60 2.07 -1.20 -1.87 116.25 121.02 3g3o h VAL 527 Ca 0.14 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3g3o h VAL 527 Cb 0.25 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3g3o h VAL 527 CO -0.01 0.05 0.18 0.00 0.02 0.00 0.00 177.57 177.81 3g3o h ALA 528 N 1.12 0.52 -0.64 1.67 0.00 -1.00 -0.88 119.26 120.05 3g3o h ALA 528 Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3g3o h ALA 528 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3g3o h ALA 528 CO -0.06 0.10 0.30 0.77 0.00 0.00 0.00 179.25 180.36 3g3o h SER 529 N 0.51 0.82 0.06 0.00 0.02 -0.80 -1.33 113.55 112.84 3g3o h SER 529 Ca 0.14 -0.09 -0.21 0.00 -0.84 0.00 0.00 61.79 60.79 3g3o h SER 529 Cb 0.15 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3g3o h SER 529 CO -0.01 0.71 -1.09 -0.07 -1.14 0.00 0.00 176.83 175.22 3g3o h LEU 530 N 0.91 0.21 0.00 5.07 3.38 -1.10 -3.42 115.31 120.35 3g3o h LEU 530 Ca 0.22 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3g3o h LEU 530 Cb 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g3o h LEU 530 CO -0.03 1.46 -0.75 -1.22 0.09 0.00 0.00 178.44 177.99 3g3o n TYR 531 N -4.19 0.00 -0.29 1.13 4.01 -0.36 -4.56 117.16 112.90 3g3o n TYR 531 Ca -0.24 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.54 3g3o n TYR 531 Cb 0.76 -0.01 0.25 0.00 -0.31 0.00 0.00 39.34 40.03 3g3o n TYR 531 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3g3o h GLY 532 N 3.58 1.27 -1.42 2.72 0.00 -1.33 -0.87 103.07 107.02 3g3o h GLY 532 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3g3o h GLY 532 CO 0.00 0.29 0.00 2.09 0.00 0.00 0.00 176.54 178.92 3g3o n ASP 533 N -4.49 1.87 -0.06 0.19 5.75 -1.26 -3.86 116.55 114.70 3g3o n ASP 533 Ca 0.13 -2.17 0.02 0.00 -0.01 0.00 0.00 54.79 52.76 3g3o n ASP 533 Cb 0.20 -0.48 0.03 0.00 -1.03 0.00 0.00 41.12 39.84 3g3o n ASP 533 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3g3o n ASP 534 N 0.11 1.54 -3.27 -1.12 8.00 -0.33 -5.00 116.55 116.48 3g3o n ASP 534 Ca 0.06 -2.05 -0.23 0.00 0.71 0.00 0.00 54.79 53.28 3g3o n ASP 534 Cb 0.41 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.46 3g3o n ASP 534 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3g3o n GLU 535 N -0.57 -6.49 -0.01 -1.24 1.02 -1.24 -4.88 120.64 107.23 3g3o n GLU 535 Ca 0.03 0.85 0.08 0.00 -0.02 0.00 0.00 57.16 58.10 3g3o n GLU 535 Cb 0.42 -5.76 -0.11 0.00 -0.02 0.00 0.00 31.44 25.96 3g3o n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3g3o n LYS 536 N -4.49 0.85 -4.89 3.49 4.76 -1.25 -5.02 118.16 111.62 3g3o n LYS 536 Ca -0.04 -0.11 -0.33 0.00 -2.87 0.00 0.00 58.31 54.96 3g3o n LYS 536 Cb 0.59 -1.34 -0.13 0.00 -1.84 0.00 0.00 35.03 32.30 3g3o n LYS 536 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3g3o s LEU 537 N -3.74 2.70 0.01 -0.35 1.43 -1.26 -4.92 118.68 112.55 3g3o s LEU 537 Ca -0.03 -0.23 0.16 0.00 -1.03 0.00 0.00 54.13 53.00 3g3o s LEU 537 Cb 0.10 -1.56 -0.17 0.00 0.03 0.00 0.00 46.19 44.60 3g3o s LEU 537 CO 0.65 0.31 0.72 0.47 0.23 0.00 0.00 176.35 178.74 3g3o n ASP 538 N 2.53 0.78 -4.20 2.29 8.00 -1.26 -4.96 116.55 119.74 3g3o n ASP 538 Ca -0.17 0.35 -0.19 0.00 0.71 0.00 0.00 54.79 55.49 3g3o n ASP 538 Cb 0.52 0.21 -0.12 0.00 -0.02 0.00 0.00 41.12 41.71 3g3o n ASP 538 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3g3o s ILE 539 N -2.83 1.25 0.06 0.53 -4.36 -1.26 -5.16 121.20 109.43 3g3o s ILE 539 Ca -0.04 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 58.96 3g3o s ILE 539 Cb 0.08 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 3g3o s ILE 539 CO 0.82 -0.24 -0.12 -0.76 0.24 0.00 0.00 174.94 174.88 3g3o s LEU 540 N -1.92 2.27 0.32 0.37 1.43 -1.26 -5.03 118.68 114.87 3g3o s LEU 540 Ca 0.02 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.26 3g3o s LEU 540 Cb -0.09 -0.40 -0.10 0.00 0.03 0.00 0.00 46.19 45.63 3g3o s LEU 540 CO 0.03 -0.12 0.93 -2.16 0.23 0.00 0.00 176.35 175.25 3g3o s PRO 541 N -1.71 4.54 -0.32 1.29 0.04 -1.26 -5.02 135.00 132.56 3g3o s PRO 541 Ca -0.04 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.31 3g3o s PRO 541 Cb -0.10 -2.78 0.10 0.00 0.04 0.00 0.00 34.50 31.76 3g3o s PRO 541 CO 0.02 0.28 0.04 0.12 0.04 0.00 0.00 177.00 177.49 3g3o s PHE 542 N -1.63 3.33 -0.02 0.56 5.36 -1.26 -4.95 117.98 119.36 3g3o s PHE 542 Ca 0.50 -2.70 0.12 0.00 -0.96 0.00 0.00 56.93 53.90 3g3o s PHE 542 Cb -0.18 -2.60 -0.20 0.00 -0.34 0.00 0.00 43.02 39.70 3g3o s PHE 542 CO 0.23 -0.93 0.86 -1.49 -1.46 0.00 0.00 175.22 172.43 3g3o h TRP 543 N 7.72 0.00 -5.04 10.12 4.06 -1.98 -3.52 115.95 127.30 3g3o h TRP 543 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 3g3o h TRP 543 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3g3o h TRP 543 CO 0.46 0.92 -0.31 1.47 -3.56 0.00 0.00 178.44 177.42 3g3o n LEU 544 N -3.10 -6.97 -1.36 -4.49 -0.00 -1.26 -4.97 117.00 94.85 3g3o n LEU 544 Ca -0.11 0.31 0.12 0.00 -0.00 0.00 0.00 56.01 56.33 3g3o n LEU 544 Cb 0.98 -3.11 0.32 0.00 -0.00 0.00 0.00 43.42 41.62 3g3o n LEU 544 CO 0.45 -1.76 0.78 0.18 -0.00 0.00 0.00 177.39 177.04 3g3o n LEU 547 N -0.74 3.95 -0.06 1.47 4.32 -1.26 -4.97 117.00 119.71 3g3o n LEU 547 Ca 0.07 -1.98 -0.06 0.00 -0.02 0.00 0.00 56.01 54.02 3g3o n LEU 547 Cb 0.44 -0.49 -0.15 0.00 -1.62 0.00 0.00 43.42 41.59 3g3o n LEU 547 CO 0.44 0.97 -0.92 -0.62 -1.22 0.00 0.00 177.39 176.05 3g3o n GLU 548 N 1.63 0.67 -1.73 3.23 4.71 -1.26 -4.92 120.64 122.97 3g3o n GLU 548 Ca 0.25 0.05 -0.37 0.00 -0.01 0.00 0.00 57.16 57.07 3g3o n GLU 548 Cb 0.63 -1.60 0.06 0.00 -1.01 0.00 0.00 31.44 29.52 3g3o n GLU 548 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3g3o n THR 549 N -2.76 4.71 -3.14 2.62 -1.04 -1.26 -5.00 114.28 108.41 3g3o n THR 549 Ca -0.25 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.84 3g3o n THR 549 Cb 1.04 -1.51 -0.07 0.00 -1.82 0.00 0.00 70.33 67.98 3g3o n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3g3o s ASP 550 N -1.29 6.37 0.00 8.00 -1.08 -1.26 -4.92 116.67 122.49 3g3o s ASP 550 Ca 0.81 -0.03 0.23 0.00 -0.52 0.00 0.00 52.55 53.04 3g3o s ASP 550 Cb -0.39 -2.31 1.08 0.00 -1.46 0.00 0.00 42.92 39.84 3g3o s ASP 550 CO 0.42 -0.62 1.76 2.30 0.52 0.00 0.00 175.17 179.55 3g3o n ILE 551 N 5.62 0.34 0.11 4.11 -5.35 -1.26 -2.65 119.36 120.28 3g3o n ILE 551 Ca -0.02 0.09 -0.23 0.00 -0.27 0.00 0.00 62.75 62.31 3g3o n ILE 551 Cb 0.48 -0.69 -0.15 0.00 -1.74 0.00 0.00 39.64 37.54 3g3o n ILE 551 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3g3o h ARG 552 N 0.00 0.45 0.00 6.28 3.08 -1.91 -3.44 114.38 118.83 3g3o h ARG 552 Ca 0.00 -0.77 0.00 0.00 0.07 0.00 0.00 59.98 59.28 3g3o h ARG 552 Cb 0.32 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3g3o h ARG 552 CO 0.00 1.37 0.00 1.04 -1.07 0.00 0.00 179.97 181.31