#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3r s ARG 196 N 0.00 3.71 0.06 1.45 1.70 -1.26 -2.10 118.95 122.51 3g3r s ARG 196 Ca 0.00 -0.40 0.09 0.00 -0.47 0.00 0.00 55.73 54.95 3g3r s ARG 196 Cb 0.00 -3.06 -0.03 0.00 -0.57 0.00 0.00 34.95 31.29 3g3r s ARG 196 CO 0.00 0.35 -0.25 -1.14 -1.08 0.00 0.00 175.30 173.18 3g3r s GLN 197 N 0.11 1.65 -0.07 3.89 0.74 -0.17 -4.96 119.66 120.85 3g3r s GLN 197 Ca 0.03 -1.12 0.02 0.00 0.05 0.00 0.00 55.36 54.34 3g3r s GLN 197 Cb -0.13 -1.87 0.01 0.00 1.10 0.00 0.00 33.01 32.13 3g3r s GLN 197 CO 0.01 0.47 -0.12 0.99 -0.55 0.00 0.00 175.29 176.10 3g3r s THR 198 N -0.85 1.14 0.07 -0.34 2.01 -1.26 0.21 115.64 116.62 3g3r s THR 198 Ca 0.11 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.65 3g3r s THR 198 Cb -0.10 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 3g3r s THR 198 CO 0.03 0.36 -0.07 0.42 -0.69 0.00 0.00 174.62 174.67 3g3r s THR 199 N 0.70 0.58 0.04 -0.82 -4.23 -0.84 -4.99 115.64 106.08 3g3r s THR 199 Ca -0.14 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3g3r s THR 199 Cb -0.16 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 3g3r s THR 199 CO 0.03 -0.65 -0.18 -0.54 -0.54 0.00 0.00 174.62 172.74 3g3r s LYS 200 N -2.78 1.19 0.02 3.99 1.02 -1.26 -1.29 119.74 120.64 3g3r s LYS 200 Ca 0.01 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 3g3r s LYS 200 Cb -0.02 -1.26 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 3g3r s LYS 200 CO -0.03 0.32 -0.00 0.71 -0.92 0.00 0.00 175.35 175.43 3g3r s TYR 201 N -0.81 0.24 -0.07 3.18 2.02 0.38 -1.77 117.35 120.52 3g3r s TYR 201 Ca 0.05 -0.51 -0.10 0.00 -0.37 0.00 0.00 57.07 56.14 3g3r s TYR 201 Cb -0.08 -0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 3g3r s TYR 201 CO 0.02 -0.22 0.26 -1.58 -1.57 0.00 0.00 175.55 172.45 3g3r s TRP 202 N -1.66 3.65 -0.16 2.71 0.51 0.46 -0.88 118.94 123.58 3g3r s TRP 202 Ca -0.14 0.73 0.00 0.00 -2.12 0.00 0.00 56.10 54.57 3g3r s TRP 202 Cb -0.08 -2.09 0.03 0.00 -0.81 0.00 0.00 33.47 30.51 3g3r s TRP 202 CO -0.01 0.69 -0.12 0.08 -0.51 0.00 0.00 176.95 177.09 3g3r s VAL 203 N -1.04 1.47 0.42 4.03 1.01 -0.06 -1.02 120.40 125.22 3g3r s VAL 203 Ca 0.19 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 3g3r s VAL 203 Cb -0.14 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 3g3r s VAL 203 CO 0.08 0.35 1.40 -2.28 0.00 0.00 0.00 175.10 174.65 3g3r s HIS 204 N 1.51 2.61 0.63 5.22 2.46 -1.26 -1.47 115.29 125.00 3g3r s HIS 204 Ca 0.03 1.29 0.29 0.00 0.47 0.00 0.00 55.06 57.14 3g3r s HIS 204 Cb -0.14 -3.86 1.55 0.00 -0.13 0.00 0.00 32.58 30.00 3g3r s HIS 204 CO -0.10 -2.67 1.91 -1.35 -2.47 0.00 0.00 174.74 170.07 3g3r h PRO 205 N 2.63 0.00 0.00 2.88 0.11 -1.97 0.16 132.00 135.81 3g3r h PRO 205 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3g3r h PRO 205 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3g3r h PRO 205 CO 0.62 0.00 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.93 3g3r h ASP 206 N 0.00 0.00 -0.18 -2.05 5.19 -1.97 -3.27 116.42 114.14 3g3r h ASP 206 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3g3r h ASP 206 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3g3r h ASP 206 CO -0.00 0.05 0.00 0.59 -3.12 0.00 0.00 179.24 176.76 3g3r n ASN 207 N -3.13 2.61 -0.01 6.45 3.02 0.56 -4.65 115.26 120.11 3g3r n ASN 207 Ca 0.02 -1.76 -0.12 0.00 -0.03 0.00 0.00 54.58 52.70 3g3r n ASN 207 Cb 0.46 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 3g3r n ASN 207 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3g3r h ILE 208 N 2.87 1.19 0.07 2.41 2.04 -1.58 -1.58 117.51 122.93 3g3r h ILE 208 Ca 0.00 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3g3r h ILE 208 Cb 0.69 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3g3r h ILE 208 CO 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 178.15 178.27 3g3r h THR 209 N -0.10 1.10 -0.82 -0.27 1.03 -1.83 -0.34 112.91 111.68 3g3r h THR 209 Ca 0.02 -0.63 0.13 0.00 -0.01 0.00 0.00 66.41 65.93 3g3r h THR 209 Cb 0.24 1.51 -0.09 0.00 -1.07 0.00 0.00 68.15 68.74 3g3r h THR 209 CO 0.00 0.16 0.41 -0.08 -0.01 0.00 0.00 175.52 176.00 3g3r h GLU 210 N -0.38 0.60 -0.78 0.00 4.81 -1.85 -0.35 114.58 116.63 3g3r h GLU 210 Ca -0.01 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3g3r h GLU 210 Cb 0.33 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3g3r h GLU 210 CO 0.02 0.40 0.32 1.25 -0.73 0.00 0.00 179.01 180.26 3g3r h LEU 211 N 0.62 1.06 -0.02 1.64 5.85 -1.06 -2.68 115.31 120.73 3g3r h LEU 211 Ca 0.44 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3g3r h LEU 211 Cb 0.59 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3g3r h LEU 211 CO -0.34 0.94 -0.02 0.11 -0.34 0.00 0.00 178.44 178.79 3g3r h LYS 212 N 1.12 -0.03 -0.92 1.25 1.57 0.51 -2.18 116.57 117.89 3g3r h LYS 212 Ca 0.26 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.16 3g3r h LYS 212 Cb 0.20 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 3g3r h LYS 212 CO -0.02 -0.02 0.55 -0.07 -0.57 0.00 0.00 179.45 179.31 3g3r h LEU 213 N -0.03 0.78 0.34 2.94 3.38 -1.01 -0.95 115.31 120.76 3g3r h LEU 213 Ca 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3g3r h LEU 213 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3g3r h LEU 213 CO -0.04 0.42 -0.17 0.40 0.09 0.00 0.00 178.44 179.14 3g3r h ILE 214 N 0.87 0.68 -0.53 1.22 2.04 -1.23 -3.09 117.51 117.46 3g3r h ILE 214 Ca 0.46 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 66.15 3g3r h ILE 214 Cb 0.47 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3g3r h ILE 214 CO -0.27 0.04 0.31 0.40 0.00 0.00 0.00 178.15 178.63 3g3r h ILE 215 N -0.57 1.04 0.00 -0.67 2.04 -0.87 -2.41 117.51 116.07 3g3r h ILE 215 Ca -0.05 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3g3r h ILE 215 Cb 0.42 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3g3r h ILE 215 CO 0.08 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.34 3g3r n LEU 216 N -4.80 0.00 0.20 1.44 -0.00 -0.41 -1.25 117.00 112.18 3g3r n LEU 216 Ca 0.04 0.46 0.05 0.00 -0.00 0.00 0.00 56.01 56.55 3g3r n LEU 216 Cb 0.08 -0.46 0.42 0.00 -0.00 0.00 0.00 43.42 43.47 3g3r n LEU 216 CO 0.32 -0.24 0.76 0.50 -0.00 0.00 0.00 177.39 178.73 3g3r h LYS 217 N 0.00 0.00 0.00 1.47 3.64 -1.34 -3.32 116.57 117.01 3g3r h LYS 217 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3g3r h LYS 217 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3g3r h LYS 217 CO 0.00 0.33 -1.42 0.72 -2.27 0.00 0.00 179.45 176.81 3g3r n HIS 218 N -3.91 0.00 -4.15 1.91 8.25 -0.38 -5.05 115.22 111.89 3g3r n HIS 218 Ca -0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 3g3r n HIS 218 Cb 0.39 -0.24 -0.12 0.00 1.12 0.00 0.00 29.99 31.14 3g3r n HIS 218 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g3r s LEU 219 N -3.86 2.23 0.72 2.41 1.43 -0.93 -4.95 118.68 115.73 3g3r s LEU 219 Ca -0.03 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 3g3r s LEU 219 Cb 0.04 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.93 3g3r s LEU 219 CO 0.33 -0.11 1.08 -2.84 0.23 0.00 0.00 176.35 175.04 3g3r s PRO 220 N -1.47 2.75 -0.16 1.29 0.02 -1.26 -4.47 135.00 131.70 3g3r s PRO 220 Ca -0.05 0.65 -0.08 0.00 0.02 0.00 0.00 61.00 61.54 3g3r s PRO 220 Cb -0.09 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 3g3r s PRO 220 CO 0.01 -1.16 0.12 0.08 -0.33 0.00 0.00 177.00 175.72 3g3r s VAL 221 N -3.21 5.32 0.20 3.83 1.01 -1.26 -1.37 120.40 124.92 3g3r s VAL 221 Ca 0.58 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 3g3r s VAL 221 Cb -0.13 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 3g3r s VAL 221 CO 0.53 0.52 1.10 -0.76 0.00 0.00 0.00 175.10 176.49 3g3r s LEU 222 N -0.26 4.51 0.17 3.92 1.43 -0.77 -4.97 118.68 122.71 3g3r s LEU 222 Ca 0.10 2.12 0.06 0.00 -1.03 0.00 0.00 54.13 55.39 3g3r s LEU 222 Cb -0.12 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 3g3r s LEU 222 CO 0.01 -0.19 -0.11 0.68 0.23 0.00 0.00 176.35 176.96 3g3r s VAL 223 N -0.46 1.39 0.00 -1.59 -7.23 -1.26 -4.80 120.40 106.45 3g3r s VAL 223 Ca 0.48 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 3g3r s VAL 223 Cb -0.30 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3g3r s VAL 223 CO 0.36 -0.67 0.28 0.49 -0.31 0.00 0.00 175.10 175.24 3g3r n PHE 224 N -0.28 0.00 -3.85 2.82 3.72 -1.26 -4.99 117.46 113.62 3g3r n PHE 224 Ca -0.09 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 3g3r n PHE 224 Cb 0.61 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.10 3g3r n PHE 224 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3g3r s ASN 225 N -0.20 6.41 0.47 4.37 -0.87 -1.26 -5.02 114.94 118.84 3g3r s ASN 225 Ca 0.00 0.43 0.27 0.00 -1.57 0.00 0.00 52.86 51.99 3g3r s ASN 225 Cb 0.00 -2.04 0.75 0.00 -0.02 0.00 0.00 41.25 39.94 3g3r s ASN 225 CO 0.00 0.28 1.76 0.00 -2.57 0.00 0.00 177.10 176.56 3g3r h THR 226 N 3.04 0.10 -0.19 1.60 1.03 -1.94 -1.09 112.91 115.46 3g3r h THR 226 Ca -0.50 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 3g3r h THR 226 Cb 1.20 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 3g3r h THR 226 CO 0.67 0.05 0.00 -0.46 -0.01 0.00 0.00 175.52 175.76 3g3r n ASN 227 N -3.13 1.18 -2.47 0.00 0.23 -1.26 -4.91 115.26 104.90 3g3r n ASN 227 Ca 0.02 -1.87 -0.17 0.00 -0.53 0.00 0.00 54.58 52.04 3g3r n ASN 227 Cb 0.45 -0.13 -0.01 0.00 -2.08 0.00 0.00 39.78 38.02 3g3r n ASN 227 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3g3r n LYS 228 N 0.09 -2.12 -4.17 -3.83 5.02 -0.41 -4.97 118.16 107.77 3g3r n LYS 228 Ca 0.10 0.79 -0.27 0.00 -2.02 0.00 0.00 58.31 56.91 3g3r n LYS 228 Cb 0.21 -5.43 -0.07 0.00 -0.02 0.00 0.00 35.03 29.72 3g3r n LYS 228 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3g3r s GLU 229 N -5.09 2.52 0.01 1.97 2.02 -1.26 -5.02 118.70 113.86 3g3r s GLU 229 Ca 0.02 -1.01 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 3g3r s GLU 229 Cb -0.01 -2.44 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 3g3r s GLU 229 CO 0.03 0.48 0.10 -0.59 0.02 0.00 0.00 175.26 175.29 3g3r s PHE 230 N -1.65 0.11 0.36 1.61 -0.12 -1.26 -4.45 117.98 112.58 3g3r s PHE 230 Ca 0.28 -0.28 0.08 0.00 -0.05 0.00 0.00 56.93 56.95 3g3r s PHE 230 Cb -0.10 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 3g3r s PHE 230 CO 0.19 -0.29 0.32 -1.21 -0.05 0.00 0.00 175.22 174.18 3g3r s GLU 231 N -1.66 2.68 0.23 1.99 2.02 -1.26 -5.02 118.70 117.69 3g3r s GLU 231 Ca -0.13 -1.35 -0.10 0.00 0.02 0.00 0.00 54.97 53.41 3g3r s GLU 231 Cb -0.07 -2.46 0.36 0.00 0.10 0.00 0.00 34.13 32.06 3g3r s GLU 231 CO -0.00 0.02 1.62 0.07 0.02 0.00 0.00 175.26 176.99 3g3r h ARG 232 N 1.19 0.05 0.00 1.61 0.11 -2.04 -1.24 114.38 114.05 3g3r h ARG 232 Ca -0.44 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3g3r h ARG 232 Cb 1.26 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3g3r h ARG 232 CO 0.58 0.03 0.00 0.93 0.10 0.00 0.00 179.97 181.61 3g3r h GLU 233 N 0.05 0.00 -0.26 0.08 5.08 -1.96 -3.18 114.58 114.38 3g3r h GLU 233 Ca 0.37 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 3g3r h GLU 233 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3g3r h GLU 233 CO -0.69 0.00 0.18 -0.44 -1.00 0.00 0.00 179.01 177.05 3g3r h ASP 234 N 0.00 0.15 0.65 1.42 3.32 -1.59 -2.04 116.42 118.34 3g3r h ASP 234 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3r h ASP 234 Cb 0.41 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3g3r h ASP 234 CO 0.00 0.10 -0.15 -1.20 -1.72 0.00 0.00 179.24 176.27 3g3r n SER 235 N -4.49 0.26 -4.72 6.45 7.64 -1.20 -4.46 113.62 113.09 3g3r n SER 235 Ca 0.02 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 3g3r n SER 235 Cb 0.21 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 3g3r n SER 235 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g3r s ALA 236 N -2.81 3.65 -0.11 -0.43 0.00 -0.77 -1.25 121.76 120.04 3g3r s ALA 236 Ca 0.19 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3g3r s ALA 236 Cb 0.19 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3g3r s ALA 236 CO 0.55 -0.68 -0.11 0.42 0.00 0.00 0.00 175.76 175.94 3g3r s ILE 237 N 0.77 1.23 -0.09 0.00 1.01 -0.12 -0.34 121.20 123.67 3g3r s ILE 237 Ca 0.64 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.89 3g3r s ILE 237 Cb -0.40 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 3g3r s ILE 237 CO 0.34 0.40 -0.24 -0.89 0.00 0.00 0.00 174.94 174.55 3g3r s THR 238 N 1.37 2.00 -0.03 2.92 2.01 -0.51 -2.46 115.64 120.94 3g3r s THR 238 Ca -0.00 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.04 3g3r s THR 238 Cb -0.13 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 3g3r s THR 238 CO -0.06 0.55 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.82 3g3r s SER 239 N 0.23 2.06 -0.34 3.53 0.01 -0.75 -1.40 113.70 117.03 3g3r s SER 239 Ca -0.15 -0.33 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 3g3r s SER 239 Cb -0.17 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.64 3g3r s SER 239 CO 0.07 0.17 0.16 -0.63 0.41 0.00 0.00 173.24 173.42 3g3r s ILE 240 N -0.13 4.36 0.05 1.44 -1.09 0.60 -1.40 121.20 125.02 3g3r s ILE 240 Ca 0.00 -0.77 -0.23 0.00 -2.23 0.00 0.00 60.65 57.42 3g3r s ILE 240 Cb -0.09 -3.36 -0.06 0.00 -1.58 0.00 0.00 42.46 37.37 3g3r s ILE 240 CO 0.01 -0.11 0.69 -0.31 -1.23 0.00 0.00 174.94 173.99 3g3r s TYR 241 N 1.54 3.75 -0.07 3.97 2.02 0.52 -1.26 117.35 127.80 3g3r s TYR 241 Ca 0.02 1.38 -0.04 0.00 -0.37 0.00 0.00 57.07 58.07 3g3r s TYR 241 Cb -0.18 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 3g3r s TYR 241 CO 0.05 0.36 0.09 -0.06 -1.57 0.00 0.00 175.55 174.43 3g3r s PHE 242 N -0.35 3.40 0.30 2.71 0.08 -0.21 -0.47 117.98 123.44 3g3r s PHE 242 Ca 0.35 0.35 -0.14 0.00 0.12 0.00 0.00 56.93 57.60 3g3r s PHE 242 Cb -0.20 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3g3r s PHE 242 CO 0.21 0.61 0.60 0.34 -0.10 0.00 0.00 175.22 176.89 3g3r s ASP 243 N -1.25 0.02 0.58 1.36 -1.08 -0.64 -4.46 116.67 111.20 3g3r s ASP 243 Ca 0.18 -0.96 0.10 0.00 -0.52 0.00 0.00 52.55 51.34 3g3r s ASP 243 Cb -0.12 0.69 0.09 0.00 -1.46 0.00 0.00 42.92 42.12 3g3r s ASP 243 CO 0.07 -1.33 0.78 0.54 0.52 0.00 0.00 175.17 175.75 3g3r s ASN 244 N -3.03 5.07 0.50 -0.34 2.20 -1.26 -1.03 114.94 117.05 3g3r s ASN 244 Ca 0.19 -0.88 0.26 0.00 -0.94 0.00 0.00 52.86 51.49 3g3r s ASN 244 Cb -0.03 0.32 1.34 0.00 -2.00 0.00 0.00 41.25 40.88 3g3r s ASN 244 CO 0.11 -1.34 2.03 -0.08 -2.94 0.00 0.00 177.10 174.88 3g3r h GLU 245 N 0.20 0.00 -0.00 3.55 4.81 -1.90 0.87 114.58 122.10 3g3r h GLU 245 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3g3r h GLU 245 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3g3r h GLU 245 CO 0.41 0.15 -0.08 0.09 -0.73 0.00 0.00 179.01 178.85 3g3r n ASN 246 N -3.67 0.28 -3.58 1.04 3.02 -1.26 -4.93 115.26 106.15 3g3r n ASN 246 Ca -0.02 -0.37 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 3g3r n ASN 246 Cb 0.26 -0.15 0.08 0.00 -0.61 0.00 0.00 39.78 39.36 3g3r n ASN 246 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3g3r n LEU 247 N -1.12 -3.46 -0.13 3.41 4.77 0.30 -4.92 117.00 115.84 3g3r n LEU 247 Ca 0.14 -0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 55.54 3g3r n LEU 247 Cb 0.27 -3.05 0.04 0.00 -2.33 0.00 0.00 43.42 38.36 3g3r n LEU 247 CO 0.24 0.64 0.88 0.44 -1.33 0.00 0.00 177.39 178.26 3g3r h ASP 248 N -2.65 -0.07 -0.08 -1.43 3.32 -1.92 -2.35 116.42 111.23 3g3r h ASP 248 Ca -0.57 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3g3r h ASP 248 Cb 1.37 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 3g3r h ASP 248 CO 0.55 -0.00 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.68 3g3r h LEU 249 N 0.17 0.59 0.27 1.55 3.38 -1.91 -1.67 115.31 117.69 3g3r h LEU 249 Ca 0.22 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g3r h LEU 249 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3g3r h LEU 249 CO -0.32 0.87 -0.21 0.22 0.09 0.00 0.00 178.44 179.10 3g3r h TYR 250 N 0.48 -0.56 -0.83 1.13 3.20 -1.81 -1.68 116.97 116.89 3g3r h TYR 250 Ca 0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3g3r h TYR 250 Cb 0.80 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 3g3r h TYR 250 CO 0.03 -0.32 0.49 1.88 -1.64 0.00 0.00 178.16 178.59 3g3r h TYR 251 N -0.49 1.11 -0.45 -3.82 0.05 -1.28 0.22 116.97 112.31 3g3r h TYR 251 Ca -0.02 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.77 3g3r h TYR 251 Cb 0.44 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3g3r h TYR 251 CO -0.13 0.75 0.27 0.78 -1.05 0.00 0.00 178.16 178.78 3g3r h GLY 252 N 1.17 0.63 1.17 3.88 0.00 -1.19 -1.56 103.07 107.18 3g3r h GLY 252 Ca 0.30 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 3g3r h GLY 252 CO -0.05 0.17 -0.51 3.21 0.00 0.00 0.00 176.54 179.36 3g3r h ARG 253 N 0.54 0.88 0.07 4.80 2.47 -1.05 -1.66 114.38 120.43 3g3r h ARG 253 Ca 0.18 -0.53 0.02 0.00 -1.26 0.00 0.00 59.98 58.39 3g3r h ARG 253 Cb 0.01 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 3g3r h ARG 253 CO -0.08 1.17 -0.23 1.25 0.56 0.00 0.00 179.97 182.64 3g3r h LEU 254 N 0.68 -0.64 -0.05 3.04 5.85 -0.69 -2.39 115.31 121.12 3g3r h LEU 254 Ca 0.03 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3g3r h LEU 254 Cb 1.11 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3g3r h LEU 254 CO 0.11 -0.30 -0.01 -2.11 -0.34 0.00 0.00 178.44 175.79 3g3r n ARG 255 N -5.35 0.73 -3.47 1.25 1.85 -0.61 -4.91 116.66 106.15 3g3r n ARG 255 Ca -0.06 -0.05 -0.21 0.00 -1.00 0.00 0.00 57.85 56.53 3g3r n ARG 255 Cb 0.26 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.25 3g3r n ARG 255 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3g3r n LYS 256 N -1.09 -7.11 -1.59 2.89 4.76 -0.74 -4.94 118.16 110.34 3g3r n LYS 256 Ca 0.19 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.97 3g3r n LYS 256 Cb 0.19 -5.60 0.01 0.00 -1.84 0.00 0.00 35.03 27.79 3g3r n LYS 256 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3g3r n ASP 257 N -2.68 1.00 -4.71 4.39 8.00 -0.70 -4.89 116.55 116.96 3g3r n ASP 257 Ca -0.04 1.03 -0.42 0.00 0.71 0.00 0.00 54.79 56.08 3g3r n ASP 257 Cb 0.57 -1.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 3g3r n ASP 257 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3g3r s GLU 258 N -1.92 4.21 0.00 -1.24 2.56 -1.26 -1.63 118.70 119.42 3g3r s GLU 258 Ca 0.63 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.94 3g3r s GLU 258 Cb -0.58 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.24 3g3r s GLU 258 CO 0.57 -0.65 0.00 0.41 -0.56 0.00 0.00 175.26 175.03 3g3r n GLY 259 N 3.83 0.47 3.68 -1.50 0.00 0.20 -4.99 105.19 106.89 3g3r n GLY 259 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 3g3r n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3r n ALA 260 N 1.00 1.73 -2.75 4.61 0.00 -0.64 -4.60 120.51 119.85 3g3r n ALA 260 Ca 0.00 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 3g3r n ALA 260 Cb 0.08 -2.56 -0.05 0.00 0.00 0.00 0.00 19.45 16.91 3g3r n ALA 260 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3g3r s GLU 261 N 3.11 3.59 -0.06 0.00 2.02 -1.26 -1.97 118.70 124.12 3g3r s GLU 261 Ca 0.85 -0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.84 3g3r s GLU 261 Cb -0.54 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 3g3r s GLU 261 CO 0.41 0.67 -0.18 0.00 0.02 0.00 0.00 175.26 176.18 3g3r s ALA 262 N -1.24 2.46 -0.11 5.21 0.00 -0.39 -4.80 121.76 122.88 3g3r s ALA 262 Ca 0.25 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.25 3g3r s ALA 262 Cb -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3g3r s ALA 262 CO 0.14 0.45 -0.23 -1.01 0.00 0.00 0.00 175.76 175.11 3g3r s HIS 263 N -0.34 2.57 0.00 0.00 3.76 -1.26 -1.22 115.29 118.80 3g3r s HIS 263 Ca 0.02 -1.12 -0.08 0.00 -0.15 0.00 0.00 55.06 53.74 3g3r s HIS 263 Cb -0.13 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3g3r s HIS 263 CO 0.02 -0.47 0.16 -0.98 -0.85 0.00 0.00 174.74 172.62 3g3r s ARG 264 N 0.46 0.51 -0.23 1.40 1.70 -0.59 -1.05 118.95 121.15 3g3r s ARG 264 Ca -0.16 -0.39 -0.04 0.00 -0.47 0.00 0.00 55.73 54.67 3g3r s ARG 264 Cb -0.17 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 3g3r s ARG 264 CO 0.06 -0.12 -0.03 -0.51 -1.08 0.00 0.00 175.30 173.62 3g3r s LEU 265 N -1.40 2.98 0.08 -1.89 1.02 -0.39 -0.28 118.68 118.80 3g3r s LEU 265 Ca -0.15 -0.38 0.09 0.00 0.02 0.00 0.00 54.13 53.71 3g3r s LEU 265 Cb -0.07 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 3g3r s LEU 265 CO 0.02 -0.03 -0.23 -0.60 0.02 0.00 0.00 176.35 175.53 3g3r s ARG 266 N 1.50 1.37 0.03 1.70 3.52 -0.03 -0.29 118.95 126.75 3g3r s ARG 266 Ca 0.06 -1.13 -0.00 0.00 -0.13 0.00 0.00 55.73 54.52 3g3r s ARG 266 Cb -0.14 -1.64 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 3g3r s ARG 266 CO -0.02 0.40 -0.03 1.67 -0.81 0.00 0.00 175.30 176.51 3g3r s TRP 267 N -0.97 0.36 -0.07 5.12 -2.14 -0.49 -0.22 118.94 120.52 3g3r s TRP 267 Ca 0.09 -0.71 0.00 0.00 2.66 0.00 0.00 56.10 58.15 3g3r s TRP 267 Cb -0.10 -0.26 -0.03 0.00 -3.10 0.00 0.00 33.47 29.98 3g3r s TRP 267 CO 0.04 -0.25 -0.06 0.71 -2.66 0.00 0.00 176.95 174.73 3g3r s TYR 268 N -2.29 2.96 0.00 1.66 2.02 -1.26 -1.43 117.35 119.02 3g3r s TYR 268 Ca -0.08 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3g3r s TYR 268 Cb -0.04 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3g3r s TYR 268 CO -0.04 0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.69 3g3r n GLY 269 N 2.24 -1.38 0.83 0.71 0.00 0.54 -4.79 105.19 103.35 3g3r n GLY 269 Ca -0.18 -1.39 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 3g3r n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3r n GLY 270 N 0.00 -0.49 0.00 -0.02 0.00 -1.25 -4.77 105.19 98.66 3g3r n GLY 270 Ca 0.00 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.33 3g3r n GLY 270 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g3r n MET 271 N -1.53 0.16 0.00 1.61 0.00 -1.26 -1.82 117.12 114.27 3g3r n MET 271 Ca 0.04 0.14 0.14 0.00 0.00 0.00 0.00 57.70 58.01 3g3r n MET 271 Cb 0.13 -1.50 0.59 0.00 0.00 0.00 0.00 33.22 32.44 3g3r n MET 271 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3g3r n SER 272 N -1.38 0.11 -4.72 7.83 3.41 -1.26 -4.85 113.62 112.76 3g3r n SER 272 Ca 0.07 0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 58.46 3g3r n SER 272 Cb 0.18 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3g3r n SER 272 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3g3r s THR 273 N -2.88 2.92 -0.30 6.66 2.01 -0.76 -4.89 115.64 118.40 3g3r s THR 273 Ca 0.17 0.65 0.13 0.00 0.31 0.00 0.00 61.69 62.95 3g3r s THR 273 Cb 0.19 -3.42 -0.17 0.00 0.01 0.00 0.00 72.50 69.11 3g3r s THR 273 CO 0.54 0.05 0.41 -0.67 -0.69 0.00 0.00 174.62 174.25 3g3r n ASP 274 N 4.04 1.32 -4.62 3.53 2.03 -1.26 -4.91 116.55 116.68 3g3r n ASP 274 Ca 0.13 -0.39 -0.39 0.00 0.52 0.00 0.00 54.79 54.66 3g3r n ASP 274 Cb 0.40 1.31 -0.08 0.00 -0.72 0.00 0.00 41.12 42.02 3g3r n ASP 274 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3g3r s THR 275 N -2.56 5.14 -0.17 5.18 2.01 -1.26 -1.21 115.64 122.77 3g3r s THR 275 Ca -0.00 0.69 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 3g3r s THR 275 Cb 0.09 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3g3r s THR 275 CO 0.53 0.14 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.88 3g3r s ILE 276 N 2.06 3.14 -0.21 1.82 -1.09 0.52 -4.67 121.20 122.77 3g3r s ILE 276 Ca 0.17 -0.60 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 3g3r s ILE 276 Cb -0.16 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 3g3r s ILE 276 CO 0.09 0.49 0.47 -0.36 -1.23 0.00 0.00 174.94 174.40 3g3r s PHE 277 N 0.86 3.36 -0.44 3.97 0.08 0.69 -0.31 117.98 126.19 3g3r s PHE 277 Ca -0.03 0.69 -0.21 0.00 0.12 0.00 0.00 56.93 57.50 3g3r s PHE 277 Cb -0.15 -2.62 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 3g3r s PHE 277 CO 0.00 -0.09 0.64 0.08 -0.10 0.00 0.00 175.22 175.75 3g3r s VAL 278 N 1.60 4.83 0.02 -0.44 1.01 0.35 -0.85 120.40 126.93 3g3r s VAL 278 Ca 0.22 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.32 3g3r s VAL 278 Cb -0.15 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 3g3r s VAL 278 CO 0.09 -0.62 -0.20 -1.61 0.00 0.00 0.00 175.10 172.76 3g3r s GLU 279 N 2.80 2.08 -0.07 2.72 2.02 0.61 -2.12 118.70 126.74 3g3r s GLU 279 Ca 0.22 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.25 3g3r s GLU 279 Cb -0.14 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.95 3g3r s GLU 279 CO 0.18 0.55 -0.07 0.50 0.02 0.00 0.00 175.26 176.44 3g3r s ARG 280 N -1.19 1.27 -0.12 1.61 3.52 0.94 -1.54 118.95 123.44 3g3r s ARG 280 Ca 0.13 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.52 3g3r s ARG 280 Cb -0.10 -1.25 -0.01 0.00 -1.56 0.00 0.00 34.95 32.03 3g3r s ARG 280 CO 0.03 -0.13 -0.14 0.21 -0.81 0.00 0.00 175.30 174.46 3g3r s LYS 281 N 1.20 3.26 -0.11 5.12 2.20 -0.36 -0.73 119.74 130.32 3g3r s LYS 281 Ca -0.05 -0.70 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3g3r s LYS 281 Cb -0.14 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 3g3r s LYS 281 CO -0.02 0.26 -0.18 0.99 -0.36 0.00 0.00 175.35 176.04 3g3r s THR 282 N 0.22 1.73 -0.10 3.43 2.01 0.16 -1.27 115.64 121.83 3g3r s THR 282 Ca -0.09 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3g3r s THR 282 Cb -0.15 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 3g3r s THR 282 CO 0.05 0.49 0.98 -2.28 -0.69 0.00 0.00 174.62 173.17 3g3r s HIS 283 N 0.80 3.52 0.03 4.92 2.46 -0.83 -0.93 115.29 125.26 3g3r s HIS 283 Ca -0.09 1.56 0.08 0.00 0.47 0.00 0.00 55.06 57.08 3g3r s HIS 283 Cb -0.16 -3.15 -0.03 0.00 -0.13 0.00 0.00 32.58 29.11 3g3r s HIS 283 CO 0.00 -0.19 -0.24 1.03 -2.47 0.00 0.00 174.74 172.87 3g3r s ARG 284 N 1.88 1.94 -0.04 2.88 1.81 -0.41 0.59 118.95 127.60 3g3r s ARG 284 Ca 0.47 -1.04 -0.03 0.00 -1.72 0.00 0.00 55.73 53.42 3g3r s ARG 284 Cb -0.18 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.28 3g3r s ARG 284 CO 0.19 0.53 0.11 -1.21 -0.68 0.00 0.00 175.30 174.24 3g3r s GLU 285 N -1.17 0.10 0.00 3.54 2.02 -1.26 -1.61 118.70 120.31 3g3r s GLU 285 Ca 0.12 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.32 3g3r s GLU 285 Cb -0.10 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.10 3g3r s GLU 285 CO 0.02 -0.07 0.00 -0.40 0.02 0.00 0.00 175.26 174.83 3g3r n ASP 286 N 3.45 0.00 -0.28 -0.19 5.68 -0.15 -5.01 116.55 120.04 3g3r n ASP 286 Ca -0.18 -0.26 0.01 0.00 -0.50 0.00 0.00 54.79 53.86 3g3r n ASP 286 Cb 0.56 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.68 3g3r n ASP 286 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3g3r h TRP 287 N 0.26 0.86 0.00 2.11 0.09 -2.03 -2.04 115.95 115.19 3g3r h TRP 287 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 58.89 59.00 3g3r h TRP 287 Cb 0.00 -0.27 -0.00 0.00 0.08 0.00 0.00 29.16 28.97 3g3r h TRP 287 CO 0.00 0.40 -0.03 1.79 0.09 0.00 0.00 178.44 180.69 3g3r h THR 288 N 0.83 0.10 0.00 0.12 1.35 -2.03 -3.48 112.91 109.79 3g3r h THR 288 Ca 0.36 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3g3r h THR 288 Cb 0.24 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3g3r h THR 288 CO -0.20 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 3g3r n GLY 289 N -0.28 0.29 3.63 5.82 0.00 -0.77 -5.10 105.19 108.79 3g3r n GLY 289 Ca -0.00 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3g3r n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g3r s GLU 290 N -1.05 2.22 0.22 1.61 2.02 -1.26 -0.98 118.70 121.48 3g3r s GLU 290 Ca 0.00 -1.48 -0.23 0.00 0.02 0.00 0.00 54.97 53.28 3g3r s GLU 290 Cb 0.00 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.16 3g3r s GLU 290 CO 0.00 0.34 0.80 -1.59 0.02 0.00 0.00 175.26 174.83 3g3r s LYS 291 N -3.67 1.53 -0.12 1.61 -2.85 -0.63 -4.99 119.74 110.62 3g3r s LYS 291 Ca 0.32 -0.83 0.02 0.00 -1.00 0.00 0.00 55.97 54.48 3g3r s LYS 291 Cb -0.06 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 3g3r s LYS 291 CO 0.19 -0.70 -0.19 0.45 0.10 0.00 0.00 175.35 175.20 3g3r s SER 292 N -2.91 3.49 -0.25 0.03 0.15 -1.26 -1.28 113.70 111.66 3g3r s SER 292 Ca 0.11 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 3g3r s SER 292 Cb -0.04 -1.50 -0.00 0.00 -1.71 0.00 0.00 66.02 62.77 3g3r s SER 292 CO 0.04 0.15 0.01 -0.69 1.20 0.00 0.00 173.24 173.95 3g3r s VAL 293 N 0.41 3.63 -0.15 4.45 1.01 -0.11 -4.94 120.40 124.70 3g3r s VAL 293 Ca -0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3g3r s VAL 293 Cb -0.17 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3g3r s VAL 293 CO 0.06 0.28 0.05 -0.54 0.00 0.00 0.00 175.10 174.95 3g3r s LYS 294 N 1.49 3.67 0.01 2.72 1.02 -1.26 0.38 119.74 127.76 3g3r s LYS 294 Ca 0.04 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.72 3g3r s LYS 294 Cb -0.16 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 3g3r s LYS 294 CO -0.01 0.43 -0.10 0.00 -0.92 0.00 0.00 175.35 174.76 3g3r s ALA 295 N -0.09 0.80 0.12 5.17 0.00 0.09 -5.00 121.76 122.84 3g3r s ALA 295 Ca 0.06 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3g3r s ALA 295 Cb -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3g3r s ALA 295 CO 0.01 0.16 0.27 -0.98 0.00 0.00 0.00 175.76 175.23 3g3r s ARG 296 N -0.57 0.98 0.06 0.00 1.70 -1.26 -0.04 118.95 119.82 3g3r s ARG 296 Ca 0.01 -0.94 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 3g3r s ARG 296 Cb -0.05 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 3g3r s ARG 296 CO 0.00 -0.35 0.07 -0.59 -1.08 0.00 0.00 175.30 173.35 3g3r s PHE 297 N -3.87 0.35 -0.05 5.89 -0.12 -0.90 -4.97 117.98 114.31 3g3r s PHE 297 Ca 0.07 -0.83 -0.04 0.00 -0.05 0.00 0.00 56.93 56.08 3g3r s PHE 297 Cb 0.04 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 3g3r s PHE 297 CO -0.09 -0.44 0.16 0.00 -0.05 0.00 0.00 175.22 174.80 3g3r s ALA 298 N -3.79 3.90 -0.01 1.99 0.00 -1.26 -0.49 121.76 122.09 3g3r s ALA 298 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3g3r s ALA 298 Cb 0.06 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.30 3g3r s ALA 298 CO -0.10 0.70 -0.02 -1.17 0.00 0.00 0.00 175.76 175.17 3g3r s LEU 299 N -1.62 1.72 0.34 0.00 2.96 0.58 -4.94 118.68 117.72 3g3r s LEU 299 Ca 0.23 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 3g3r s LEU 299 Cb -0.12 -0.18 -0.11 0.00 0.50 0.00 0.00 46.19 46.28 3g3r s LEU 299 CO 0.13 -0.01 1.44 -0.54 -1.32 0.00 0.00 176.35 176.05 3g3r s LYS 300 N 0.30 4.20 0.28 1.98 1.02 -1.26 -0.36 119.74 125.91 3g3r s LYS 300 Ca -0.03 2.43 0.03 0.00 0.02 0.00 0.00 55.97 58.42 3g3r s LYS 300 Cb -0.05 -3.02 0.65 0.00 -0.52 0.00 0.00 37.83 34.88 3g3r s LYS 300 CO -0.01 -0.42 1.76 1.49 -0.92 0.00 0.00 175.35 177.25 3g3r h GLU 301 N 3.53 0.65 0.00 1.68 4.22 -1.52 -1.21 114.58 121.92 3g3r h GLU 301 Ca -0.49 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.91 3g3r h GLU 301 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3g3r h GLU 301 CO 0.68 0.43 0.00 2.89 -2.18 0.00 0.00 179.01 180.82 3g3r n ARG 302 N -4.84 0.01 0.00 1.92 1.85 -1.26 -2.15 116.66 112.19 3g3r n ARG 302 Ca 0.20 0.22 0.10 0.00 -1.00 0.00 0.00 57.85 57.38 3g3r n ARG 302 Cb 0.52 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.34 3g3r n ARG 302 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3g3r n HIS 303 N -1.49 0.00 0.45 2.89 8.25 -0.46 -4.71 115.22 120.15 3g3r n HIS 303 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 3g3r n HIS 303 Cb 0.18 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 3g3r n HIS 303 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3g3r h VAL 304 N 0.49 0.11 -0.65 1.59 2.07 -1.42 -1.01 116.25 117.42 3g3r h VAL 304 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3g3r h VAL 304 Cb 0.54 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 3g3r h VAL 304 CO 0.00 0.00 0.18 0.78 0.02 0.00 0.00 177.57 178.55 3g3r h ASN 305 N -1.17 0.08 -0.31 0.57 2.35 -1.84 -1.00 115.58 114.25 3g3r h ASN 305 Ca -0.11 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3g3r h ASN 305 Cb 0.92 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3g3r h ASN 305 CO 0.16 0.03 -0.03 0.44 -1.65 0.00 0.00 177.43 176.38 3g3r h ASP 306 N 0.31 0.65 -0.25 5.81 3.32 -1.82 -1.97 116.42 122.47 3g3r h ASP 306 Ca 0.35 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 3g3r h ASP 306 Cb 0.53 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3g3r h ASP 306 CO -0.41 0.74 -0.21 0.15 -1.72 0.00 0.00 179.24 177.79 3g3r h PHE 307 N 0.63 0.69 0.00 4.55 3.57 -0.38 0.42 116.94 126.43 3g3r h PHE 307 Ca 0.12 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 3g3r h PHE 307 Cb 0.45 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3g3r h PHE 307 CO 0.02 0.89 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.69 3g3r h LEU 308 N 0.30 0.00 -0.24 0.59 3.38 -0.89 -1.47 115.31 116.98 3g3r h LEU 308 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3g3r h LEU 308 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3g3r h LEU 308 CO 0.05 0.22 -0.07 0.29 0.09 0.00 0.00 178.44 179.02 3g3r n LYS 309 N -4.15 0.79 -1.58 1.13 5.02 -0.77 -4.67 118.16 113.93 3g3r n LYS 309 Ca -0.02 -0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 55.96 3g3r n LYS 309 Cb 0.29 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3g3r n LYS 309 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g3r n GLY 310 N 1.23 0.61 0.10 0.72 0.00 -0.55 -4.92 105.19 102.37 3g3r n GLY 310 Ca 0.16 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 3g3r n GLY 310 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g3r n LYS 311 N -2.37 0.68 -3.34 1.61 5.02 0.05 -4.71 118.16 115.11 3g3r n LYS 311 Ca -0.08 0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 56.06 3g3r n LYS 311 Cb 0.37 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 3g3r n LYS 311 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3g3r s TYR 312 N -2.58 3.18 0.77 2.13 5.04 -0.68 -4.98 117.35 120.23 3g3r s TYR 312 Ca -0.12 -0.38 -0.11 0.00 -2.44 0.00 0.00 57.07 54.02 3g3r s TYR 312 Cb 0.07 -2.85 0.05 0.00 0.35 0.00 0.00 41.96 39.59 3g3r s TYR 312 CO 0.80 -0.67 1.10 0.95 -1.34 0.00 0.00 175.55 176.38 3g3r s THR 313 N 2.07 3.20 0.19 4.34 -4.23 -1.26 -4.40 115.64 115.55 3g3r s THR 313 Ca 0.11 0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 60.92 3g3r s THR 313 Cb -0.17 -3.19 0.10 0.00 1.34 0.00 0.00 72.50 70.58 3g3r s THR 313 CO 0.13 -0.51 1.71 0.58 -0.54 0.00 0.00 174.62 175.99 3g3r h VAL 314 N -0.97 1.26 -0.06 2.29 2.07 -1.96 0.45 116.25 119.32 3g3r h VAL 314 Ca -0.46 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.16 3g3r h VAL 314 Cb 1.26 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3g3r h VAL 314 CO 0.60 0.36 -0.13 0.44 0.02 0.00 0.00 177.57 178.86 3g3r h ASP 315 N 1.01 -0.40 -1.00 0.57 3.32 -1.96 -1.08 116.42 116.87 3g3r h ASP 315 Ca 0.21 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.39 3g3r h ASP 315 Cb 0.35 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 3g3r h ASP 315 CO -0.00 -0.18 0.65 1.56 -1.72 0.00 0.00 179.24 179.54 3g3r h GLN 316 N -0.19 1.15 -0.69 3.56 4.20 -1.82 -0.45 115.11 120.87 3g3r h GLN 316 Ca 0.07 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3g3r h GLN 316 Cb 0.29 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3g3r h GLN 316 CO -0.18 0.76 0.39 0.28 -0.67 0.00 0.00 178.83 179.41 3g3r h VAL 317 N 1.19 0.99 -0.50 -0.54 2.07 0.68 -3.00 116.25 117.13 3g3r h VAL 317 Ca 0.42 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3g3r h VAL 317 Cb 0.13 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3g3r h VAL 317 CO -0.16 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.05 3g3r n PHE 318 N -4.76 0.66 -0.01 1.57 3.72 -0.48 -4.57 117.46 113.58 3g3r n PHE 318 Ca 0.09 -0.35 -0.09 0.00 -0.05 0.00 0.00 57.45 57.05 3g3r n PHE 318 Cb 0.17 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3g3r n PHE 318 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g3r h ALA 319 N 4.23 -0.12 -0.86 4.37 0.00 -0.95 -0.74 119.26 125.19 3g3r h ALA 319 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3g3r h ALA 319 Cb 0.96 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3g3r h ALA 319 CO 0.00 -0.64 0.57 0.87 0.00 0.00 0.00 179.25 180.05 3g3r h LYS 320 N -0.23 1.08 -0.43 0.00 1.57 -1.80 -1.51 116.57 115.24 3g3r h LYS 320 Ca 0.11 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3g3r h LYS 320 Cb 0.39 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3g3r h LYS 320 CO -0.29 0.71 -0.21 1.98 -0.57 0.00 0.00 179.45 181.08 3g3r h MET 321 N 1.11 0.86 -0.23 3.15 4.05 -1.64 -2.19 114.93 120.03 3g3r h MET 321 Ca 0.33 -0.35 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3g3r h MET 321 Cb -0.04 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 3g3r h MET 321 CO -0.09 0.98 -0.04 0.00 0.23 0.00 0.00 176.91 177.99 3g3r h ARG 322 N 0.75 0.44 -0.83 0.39 3.08 -0.91 -3.13 114.38 114.16 3g3r h ARG 322 Ca 0.10 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3g3r h ARG 322 Cb 0.74 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3g3r h ARG 322 CO 0.06 0.66 0.54 -0.22 -1.07 0.00 0.00 179.97 179.95 3g3r h LYS 323 N 0.18 0.93 -0.76 0.04 3.64 -1.20 -2.49 116.57 116.90 3g3r h LYS 323 Ca 0.06 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3g3r h LYS 323 Cb 0.49 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3g3r h LYS 323 CO 0.02 0.61 0.37 0.93 -2.27 0.00 0.00 179.45 179.11 3g3r h GLU 324 N 0.96 1.09 -0.18 1.90 5.08 -1.34 -3.47 114.58 118.61 3g3r h GLU 324 Ca 0.35 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3g3r h GLU 324 Cb 0.15 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3g3r h GLU 324 CO -0.12 0.85 -0.07 0.41 -1.00 0.00 0.00 179.01 179.08 3g3r n GLY 325 N -0.98 0.64 0.06 -3.84 0.00 -0.94 -4.93 105.19 95.20 3g3r n GLY 325 Ca 0.07 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 3g3r n GLY 325 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3r h LYS 326 N 0.32 0.02 -6.24 1.61 1.79 -1.88 -3.45 116.57 108.74 3g3r h LYS 326 Ca -0.08 -0.02 -0.56 0.00 -2.18 0.00 0.00 60.65 57.82 3g3r h LYS 326 Cb 0.46 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 3g3r h LYS 326 CO 0.12 0.72 0.05 0.15 -1.08 0.00 0.00 179.45 179.41 3g3r s LYS 327 N -3.40 4.37 0.45 3.15 1.02 -1.26 -5.03 119.74 119.04 3g3r s LYS 327 Ca -0.17 0.88 -0.22 0.00 0.02 0.00 0.00 55.97 56.48 3g3r s LYS 327 Cb -0.00 -3.31 -0.11 0.00 -0.52 0.00 0.00 37.83 33.89 3g3r s LYS 327 CO 0.69 0.44 0.63 -2.30 -0.92 0.00 0.00 175.35 173.89 3g3r n PRO 328 N 2.33 0.70 -0.20 -1.68 -0.02 -1.26 -4.73 135.00 130.13 3g3r n PRO 328 Ca -0.06 0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 3g3r n PRO 328 Cb 0.50 -1.65 0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3g3r n PRO 328 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3g3r h MET 329 N 0.82 0.78 -0.81 -0.52 2.86 -1.96 -2.05 114.93 114.06 3g3r h MET 329 Ca -0.42 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 3g3r h MET 329 Cb 1.39 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 3g3r h MET 329 CO 0.52 0.53 0.40 -2.95 1.06 0.00 0.00 176.91 176.46 3g3r h ASN 330 N 0.79 1.05 -0.66 1.22 -1.07 -1.99 0.20 115.58 115.12 3g3r h ASN 330 Ca 0.21 -0.13 -0.04 0.00 0.07 0.00 0.00 56.30 56.41 3g3r h ASN 330 Cb -0.06 -0.27 -0.03 0.00 -2.07 0.00 0.00 38.32 35.88 3g3r h ASN 330 CO -0.04 0.89 0.27 -0.33 0.07 0.00 0.00 177.43 178.29 3g3r h GLU 331 N 1.14 1.01 -0.45 4.14 5.08 -1.84 -0.55 114.58 123.11 3g3r h GLU 331 Ca 0.28 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3g3r h GLU 331 Cb 0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3g3r h GLU 331 CO -0.04 0.82 0.06 0.82 -1.00 0.00 0.00 179.01 179.68 3g3r h ILE 332 N 0.99 1.25 -0.71 3.13 2.04 -0.77 -1.65 117.51 121.80 3g3r h ILE 332 Ca 0.23 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3g3r h ILE 332 Cb 0.19 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3g3r h ILE 332 CO -0.02 0.32 0.34 -0.33 0.00 0.00 0.00 178.15 178.46 3g3r h GLU 333 N 0.61 1.01 -0.13 2.37 5.08 -0.41 -0.34 114.58 122.77 3g3r h GLU 333 Ca 0.13 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3g3r h GLU 333 Cb 0.40 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3g3r h GLU 333 CO 0.01 0.78 -0.50 -0.91 -1.00 0.00 0.00 179.01 177.39 3g3r h ASN 334 N 1.00 0.37 -0.36 1.42 2.35 -1.03 -0.92 115.58 118.40 3g3r h ASN 334 Ca 0.25 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3g3r h ASN 334 Cb 0.10 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3g3r h ASN 334 CO -0.03 0.81 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.36 3g3r h LEU 335 N 0.27 0.74 -0.58 1.61 3.38 -0.76 -2.28 115.31 117.68 3g3r h LEU 335 Ca 0.01 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3g3r h LEU 335 Cb 0.97 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3g3r h LEU 335 CO 0.08 0.95 0.31 -0.33 0.09 0.00 0.00 178.44 179.54 3g3r h GLU 336 N 0.52 0.83 -0.68 1.13 5.08 -0.96 -0.98 114.58 119.52 3g3r h GLU 336 Ca 0.09 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3g3r h GLU 336 Cb 0.65 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3g3r h GLU 336 CO 0.04 0.65 0.39 0.00 -1.00 0.00 0.00 179.01 179.09 3g3r h ALA 337 N 1.13 0.90 -0.16 3.43 0.00 -1.13 0.57 119.26 124.00 3g3r h ALA 337 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3g3r h ALA 337 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g3r h ALA 337 CO -0.03 0.10 0.08 1.25 0.00 0.00 0.00 179.25 180.64 3g3r h LEU 338 N 0.74 0.11 -0.86 0.00 5.85 -0.93 -1.28 115.31 118.94 3g3r h LEU 338 Ca 0.29 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3g3r h LEU 338 Cb 0.13 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3g3r h LEU 338 CO -0.16 0.09 0.46 0.00 -0.34 0.00 0.00 178.44 178.49 3g3r h ALA 339 N 1.09 1.10 -0.77 1.25 0.00 -0.79 0.20 119.26 121.33 3g3r h ALA 339 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3g3r h ALA 339 Cb 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3g3r h ALA 339 CO -0.05 0.62 0.28 0.77 0.00 0.00 0.00 179.25 180.86 3g3r h SER 340 N 1.20 1.09 -0.44 0.00 0.02 -0.71 0.13 113.55 114.84 3g3r h SER 340 Ca 0.30 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3g3r h SER 340 Cb 0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3g3r h SER 340 CO -0.05 0.98 0.01 -0.33 -1.14 0.00 0.00 176.83 176.30 3g3r h GLU 341 N 1.13 0.77 -0.11 3.45 5.08 -0.67 0.15 114.58 124.38 3g3r h GLU 341 Ca 0.25 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3g3r h GLU 341 Cb 0.26 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3g3r h GLU 341 CO -0.02 0.83 -0.02 0.82 -1.00 0.00 0.00 179.01 179.63 3g3r h ILE 342 N 0.61 1.28 -0.98 3.13 2.04 -0.75 -1.87 117.51 120.98 3g3r h ILE 342 Ca 0.13 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.11 3g3r h ILE 342 Cb 0.48 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 3g3r h ILE 342 CO 0.02 0.26 0.64 -0.61 0.00 0.00 0.00 178.15 178.46 3g3r h GLN 343 N -0.11 1.25 -0.03 2.37 4.15 -0.66 -0.87 115.11 121.22 3g3r h GLN 343 Ca 0.03 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.39 3g3r h GLN 343 Cb 0.40 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3g3r h GLN 343 CO 0.01 0.83 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.76 3g3r h TYR 344 N 1.29 -0.15 -0.47 3.99 3.20 -0.81 -1.85 116.97 122.17 3g3r h TYR 344 Ca 0.37 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.20 3g3r h TYR 344 Cb -0.09 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3g3r h TYR 344 CO -0.00 -0.09 0.10 0.28 -1.64 0.00 0.00 178.16 176.81 3g3r h VAL 345 N -0.09 1.24 -0.67 1.81 2.07 -0.90 0.62 116.25 120.33 3g3r h VAL 345 Ca 0.04 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 66.81 3g3r h VAL 345 Cb 0.14 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 3g3r h VAL 345 CO -0.08 0.30 0.25 -0.03 0.02 0.00 0.00 177.57 178.03 3g3r h MET 346 N 0.64 0.41 0.06 1.57 1.85 -1.10 0.35 114.93 118.71 3g3r h MET 346 Ca 0.15 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 59.08 3g3r h MET 346 Cb 0.34 -0.09 0.01 0.00 0.43 0.00 0.00 31.60 32.30 3g3r h MET 346 CO 0.00 0.27 -0.55 -0.07 -0.40 0.00 0.00 176.91 176.17 3g3r h LEU 347 N 0.42 0.37 -0.02 3.39 3.38 -0.95 -1.80 115.31 120.10 3g3r h LEU 347 Ca 0.35 -0.89 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 3g3r h LEU 347 Cb 0.47 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3g3r h LEU 347 CO -0.35 1.22 0.01 0.50 0.09 0.00 0.00 178.44 179.91 3g3r h LYS 348 N -0.43 0.02 -0.02 1.13 1.63 0.48 -2.81 116.57 116.57 3g3r h LYS 348 Ca -0.09 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3g3r h LYS 348 Cb 1.36 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 3g3r h LYS 348 CO 0.10 0.09 0.00 1.63 -3.45 0.00 0.00 179.45 177.82 3g3r n LYS 349 N -5.04 1.29 -3.87 1.90 5.02 0.12 -4.94 118.16 112.64 3g3r n LYS 349 Ca -0.07 -0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 55.52 3g3r n LYS 349 Cb 0.06 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3g3r n LYS 349 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g3r n LYS 350 N -0.46 -5.42 -1.32 1.97 5.02 -1.00 -4.63 118.16 112.32 3g3r n LYS 350 Ca 0.20 0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 56.75 3g3r n LYS 350 Cb 0.20 -5.42 0.11 0.00 -0.02 0.00 0.00 35.03 29.90 3g3r n LYS 350 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g3r s LEU 351 N -7.17 3.28 0.23 -0.35 1.43 -0.71 -4.57 118.68 110.82 3g3r s LEU 351 Ca 0.53 2.43 -0.15 0.00 -1.03 0.00 0.00 54.13 55.91 3g3r s LEU 351 Cb -0.26 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.37 3g3r s LEU 351 CO 0.83 -2.44 0.50 0.00 0.23 0.00 0.00 176.35 175.46 3g3r s ARG 352 N -3.91 1.50 0.28 1.70 1.70 -0.20 -4.92 118.95 115.10 3g3r s ARG 352 Ca 0.76 -1.12 -0.30 0.00 -0.47 0.00 0.00 55.73 54.60 3g3r s ARG 352 Cb -0.31 0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 34.44 3g3r s ARG 352 CO 0.47 -0.63 1.58 -2.30 -1.08 0.00 0.00 175.30 173.34 3g3r n PRO 353 N -0.37 2.61 0.01 3.89 -0.02 -1.26 -1.63 135.00 138.23 3g3r n PRO 353 Ca -0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3g3r n PRO 353 Cb 0.62 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3g3r n PRO 353 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g3r n VAL 354 N 2.31 0.09 -3.91 -1.45 0.31 0.38 -3.45 118.33 112.61 3g3r n VAL 354 Ca 0.10 0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.35 3g3r n VAL 354 Cb 0.36 -1.23 -0.12 0.00 -0.91 0.00 0.00 33.84 31.94 3g3r n VAL 354 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3g3r s VAL 355 N -2.00 0.05 -0.13 2.52 0.11 -1.16 -1.14 120.40 118.66 3g3r s VAL 355 Ca 0.00 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.59 3g3r s VAL 355 Cb 0.00 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 3g3r s VAL 355 CO 0.00 -0.23 0.04 -0.60 -3.33 0.00 0.00 175.10 170.98 3g3r s ARG 356 N -0.68 3.43 -0.09 1.54 3.52 0.12 -0.36 118.95 126.44 3g3r s ARG 356 Ca -0.07 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.14 3g3r s ARG 356 Cb -0.05 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3g3r s ARG 356 CO -0.00 0.53 0.02 -1.54 -0.81 0.00 0.00 175.30 173.50 3g3r s SER 357 N -0.39 5.39 0.01 -2.12 1.04 -0.50 -0.56 113.70 116.58 3g3r s SER 357 Ca 0.08 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.74 3g3r s SER 357 Cb -0.12 -1.55 -0.01 0.00 0.10 0.00 0.00 66.02 64.43 3g3r s SER 357 CO 0.02 0.38 -0.12 0.12 0.98 0.00 0.00 173.24 174.62 3g3r s PHE 358 N -0.91 1.04 0.07 5.02 5.36 0.75 -1.81 117.98 127.49 3g3r s PHE 358 Ca 0.14 -0.27 -0.26 0.00 -0.96 0.00 0.00 56.93 55.58 3g3r s PHE 358 Cb -0.11 -0.64 0.09 0.00 -0.34 0.00 0.00 43.02 42.01 3g3r s PHE 358 CO 0.03 -0.00 0.79 1.52 -1.46 0.00 0.00 175.22 176.10 3g3r s TYR 359 N -0.55 -0.39 -0.17 10.12 -0.85 -1.03 -0.04 117.35 124.45 3g3r s TYR 359 Ca 0.02 0.20 -0.11 0.00 -0.52 0.00 0.00 57.07 56.66 3g3r s TYR 359 Cb -0.06 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 3g3r s TYR 359 CO 0.00 -0.69 0.21 -0.80 -1.52 0.00 0.00 175.55 172.75 3g3r s ASN 360 N -2.62 6.35 -0.10 -0.18 0.01 0.04 -0.94 114.94 117.49 3g3r s ASN 360 Ca 0.04 0.40 0.03 0.00 -0.71 0.00 0.00 52.86 52.62 3g3r s ASN 360 Cb -0.01 -2.13 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 3g3r s ASN 360 CO -0.09 0.18 -0.19 -0.60 -1.51 0.00 0.00 177.10 174.89 3g3r s ARG 361 N 0.17 3.08 -0.18 -0.60 3.52 -0.38 -0.95 118.95 123.62 3g3r s ARG 361 Ca 0.13 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 3g3r s ARG 361 Cb -0.12 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 3g3r s ARG 361 CO 0.02 0.25 0.04 0.99 -0.81 0.00 0.00 175.30 175.78 3g3r s THR 362 N 0.22 4.59 -0.33 4.11 2.01 -0.20 -4.81 115.64 121.23 3g3r s THR 362 Ca -0.12 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 3g3r s THR 362 Cb -0.16 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.31 3g3r s THR 362 CO 0.07 0.46 0.12 0.00 -0.69 0.00 0.00 174.62 174.58 3g3r s ALA 363 N 0.41 3.11 -0.26 7.40 0.00 -1.26 -1.55 121.76 129.61 3g3r s ALA 363 Ca 0.02 -1.62 -0.15 0.00 0.00 0.00 0.00 51.96 50.21 3g3r s ALA 363 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3g3r s ALA 363 CO 0.01 -1.18 0.36 -0.06 0.00 0.00 0.00 175.76 174.89 3g3r s PHE 364 N 1.48 3.27 -0.30 0.00 0.08 0.36 -1.85 117.98 121.03 3g3r s PHE 364 Ca 0.01 0.43 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 3g3r s PHE 364 Cb -0.18 -2.54 0.16 0.00 -0.57 0.00 0.00 43.02 39.88 3g3r s PHE 364 CO 0.04 -0.18 1.01 -1.14 -0.10 0.00 0.00 175.22 174.85 3g3r s GLN 365 N 1.88 0.31 -0.57 0.44 0.74 -0.47 -1.73 119.66 120.27 3g3r s GLN 365 Ca 0.15 0.64 -0.21 0.00 0.05 0.00 0.00 55.36 55.99 3g3r s GLN 365 Cb -0.15 0.24 0.07 0.00 1.10 0.00 0.00 33.01 34.26 3g3r s GLN 365 CO 0.09 -0.08 0.79 -0.48 -0.55 0.00 0.00 175.29 175.05 3g3r s LEU 366 N 1.85 4.77 0.41 3.68 0.05 -1.26 -4.24 118.68 123.94 3g3r s LEU 366 Ca -0.06 -0.96 -0.24 0.00 0.05 0.00 0.00 54.13 52.92 3g3r s LEU 366 Cb -0.05 -2.47 -0.11 0.00 -2.05 0.00 0.00 46.19 41.51 3g3r s LEU 366 CO -0.16 -1.14 0.95 -2.65 -0.55 0.00 0.00 176.35 172.80 3g3r n PRO 367 N 6.82 1.23 -1.01 1.48 -0.02 -1.26 -1.11 135.00 141.13 3g3r n PRO 367 Ca -0.05 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3g3r n PRO 367 Cb 0.45 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3g3r n PRO 367 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3r n GLY 368 N 1.27 0.43 2.80 -1.23 0.00 -1.26 -4.95 105.19 102.25 3g3r n GLY 368 Ca 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3g3r n GLY 368 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3r s ASP 369 N -2.10 0.97 -0.07 1.61 -1.08 -0.27 -5.00 116.67 110.73 3g3r s ASP 369 Ca 0.00 -1.40 0.16 0.00 -0.52 0.00 0.00 52.55 50.79 3g3r s ASP 369 Cb 0.00 0.68 0.57 0.00 -1.46 0.00 0.00 42.92 42.71 3g3r s ASP 369 CO 0.00 -0.27 1.46 0.00 0.52 0.00 0.00 175.17 176.88 3g3r n ALA 370 N 4.40 2.82 0.04 3.66 0.00 -1.26 -4.24 120.51 125.93 3g3r n ALA 370 Ca 0.10 -1.21 0.18 0.00 0.00 0.00 0.00 53.44 52.51 3g3r n ALA 370 Cb 0.46 -1.00 0.68 0.00 0.00 0.00 0.00 19.45 19.59 3g3r n ALA 370 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3g3r h ARG 371 N 3.39 0.00 -3.04 0.00 -0.00 -1.90 -3.35 114.38 109.48 3g3r h ARG 371 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.76 3g3r h ARG 371 Cb 1.10 0.00 -0.32 0.00 -0.00 0.00 0.00 29.97 30.76 3g3r h ARG 371 CO 0.14 0.00 -0.54 0.54 -0.00 0.00 0.00 179.97 180.11 3g3r s VAL 372 N -5.02 -0.16 -0.03 0.08 0.11 -1.26 -0.51 120.40 113.61 3g3r s VAL 372 Ca -0.05 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 3g3r s VAL 372 Cb 0.19 -0.36 0.03 0.00 -1.53 0.00 0.00 36.38 34.71 3g3r s VAL 372 CO 0.72 0.09 0.00 -0.13 -3.33 0.00 0.00 175.10 172.45 3g3r s ARG 373 N 1.66 0.31 -0.04 1.54 0.52 -0.27 -4.58 118.95 118.09 3g3r s ARG 373 Ca -0.05 0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.29 3g3r s ARG 373 Cb -0.11 -0.52 -0.00 0.00 0.52 0.00 0.00 34.95 34.83 3g3r s ARG 373 CO -0.08 -0.16 -0.16 0.42 0.02 0.00 0.00 175.30 175.34 3g3r s ILE 374 N 1.15 1.35 -0.03 1.52 1.01 -0.70 0.41 121.20 125.91 3g3r s ILE 374 Ca -0.08 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3g3r s ILE 374 Cb -0.13 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3g3r s ILE 374 CO -0.02 0.39 -0.16 -0.94 0.00 0.00 0.00 174.94 174.21 3g3r s SER 375 N 0.01 1.99 -0.15 3.58 1.04 -0.40 -0.48 113.70 119.29 3g3r s SER 375 Ca -0.03 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 3g3r s SER 375 Cb -0.11 -0.46 -0.00 0.00 0.10 0.00 0.00 66.02 65.55 3g3r s SER 375 CO 0.02 0.16 -0.14 -0.22 0.98 0.00 0.00 173.24 174.03 3g3r s LEU 376 N -0.07 2.56 -0.17 2.42 2.96 -0.59 -1.02 118.68 124.76 3g3r s LEU 376 Ca -0.01 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3g3r s LEU 376 Cb -0.10 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3g3r s LEU 376 CO 0.01 0.09 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.22 3g3r s ASP 377 N 0.76 4.00 0.35 3.68 1.01 0.57 -1.03 116.67 126.00 3g3r s ASP 377 Ca -0.06 -0.40 0.06 0.00 0.71 0.00 0.00 52.55 52.86 3g3r s ASP 377 Cb -0.15 -1.64 -0.07 0.00 1.01 0.00 0.00 42.92 42.06 3g3r s ASP 377 CO 0.01 0.06 0.01 0.42 0.21 0.00 0.00 175.17 175.88 3g3r s THR 378 N 0.96 1.61 -2.08 -1.27 -4.23 -0.12 -0.77 115.64 109.74 3g3r s THR 378 Ca -0.02 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3g3r s THR 378 Cb -0.15 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3g3r s THR 378 CO -0.01 -0.07 0.00 -0.62 -0.54 0.00 0.00 174.62 173.38 3g3r n GLU 379 N -0.77 -1.47 -1.68 3.99 4.71 -1.26 -0.78 120.64 123.39 3g3r n GLU 379 Ca -0.04 1.16 -0.47 0.00 -0.01 0.00 0.00 57.16 57.80 3g3r n GLU 379 Cb 0.66 -5.56 -0.04 0.00 -1.01 0.00 0.00 31.44 25.48 3g3r n GLU 379 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3g3r n LEU 380 N -2.39 3.38 -3.92 -4.62 7.94 -1.25 -4.43 117.00 111.70 3g3r n LEU 380 Ca -0.20 1.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.58 3g3r n LEU 380 Cb 0.66 -1.39 -0.13 0.00 0.53 0.00 0.00 43.42 43.08 3g3r n LEU 380 CO 0.30 -0.11 -0.37 -0.89 -1.11 0.00 0.00 177.39 175.21 3g3r s THR 381 N 3.14 0.12 -0.07 1.96 2.01 0.95 -1.38 115.64 122.37 3g3r s THR 381 Ca 0.88 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.63 3g3r s THR 381 Cb -0.68 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 3g3r s THR 381 CO 0.47 -0.12 -0.21 -0.04 -0.69 0.00 0.00 174.62 174.04 3g3r s MET 382 N -0.44 2.76 -0.02 4.92 -1.94 -0.29 -0.18 119.30 124.11 3g3r s MET 382 Ca -0.04 -0.83 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 3g3r s MET 382 Cb -0.03 -2.30 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 3g3r s MET 382 CO -0.00 0.37 -0.17 0.08 -0.01 0.00 0.00 175.02 175.29 3g3r s VAL 383 N -0.10 1.34 0.22 -6.03 1.01 0.28 -0.66 120.40 116.45 3g3r s VAL 383 Ca -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3g3r s VAL 383 Cb -0.14 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 3g3r s VAL 383 CO 0.04 0.38 1.44 -0.13 0.00 0.00 0.00 175.10 176.84 3g3r s ARG 384 N -0.27 4.27 0.00 2.72 0.52 0.30 0.13 118.95 126.62 3g3r s ARG 384 Ca 0.04 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 3g3r s ARG 384 Cb -0.08 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.26 3g3r s ARG 384 CO 0.00 -0.43 0.32 0.39 0.02 0.00 0.00 175.30 175.59 3g3r n GLU 385 N 2.72 -0.03 -1.96 3.54 -0.58 -0.29 -4.82 120.64 119.23 3g3r n GLU 385 Ca 0.08 -0.32 -0.28 0.00 -0.42 0.00 0.00 57.16 56.22 3g3r n GLU 385 Cb 0.40 -0.80 0.09 0.00 -0.57 0.00 0.00 31.44 30.56 3g3r n GLU 385 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 3g3r s ASP 386 N -0.09 4.56 -0.26 1.62 -4.77 -1.05 -4.44 116.67 112.24 3g3r s ASP 386 Ca 0.00 0.72 0.09 0.00 -3.30 0.00 0.00 52.55 50.06 3g3r s ASP 386 Cb 0.00 -1.24 0.44 0.00 -1.09 0.00 0.00 42.92 41.04 3g3r s ASP 386 CO 0.00 -1.85 1.25 -0.46 0.70 0.00 0.00 175.17 174.81 3g3r n ASN 387 N -3.25 3.18 0.23 2.11 6.94 -1.26 -4.12 115.26 119.10 3g3r n ASN 387 Ca 0.08 -3.83 0.13 0.00 -0.02 0.00 0.00 54.58 50.93 3g3r n ASN 387 Cb 0.61 -0.48 0.40 0.00 -2.36 0.00 0.00 39.78 37.95 3g3r n ASN 387 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 3g3r h PHE 388 N 1.48 0.00 -0.61 -2.53 0.04 -1.96 -2.05 116.94 111.32 3g3r h PHE 388 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3g3r h PHE 388 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3g3r h PHE 388 CO 0.84 0.10 0.00 -0.40 -0.60 0.00 0.00 178.31 178.25 3g3r n ASP 389 N -3.17 5.20 0.00 2.17 3.85 -1.26 -4.93 116.55 118.42 3g3r n ASP 389 Ca 0.02 -2.68 0.00 0.00 -0.71 0.00 0.00 54.79 51.42 3g3r n ASP 389 Cb 0.45 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 3g3r n ASP 389 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g3r n GLY 390 N 0.87 2.48 3.64 6.12 0.00 -0.77 -5.01 105.19 112.52 3g3r n GLY 390 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3g3r n GLY 390 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3r s VAL 391 N -2.23 4.60 -1.39 1.61 1.01 -1.26 -4.94 120.40 117.80 3g3r s VAL 391 Ca 0.00 1.76 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 3g3r s VAL 391 Cb 0.00 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 32.06 3g3r s VAL 391 CO 0.00 -0.35 2.15 -0.67 0.00 0.00 0.00 175.10 176.23 3g3r n ASP 392 N 6.61 3.89 -0.07 3.32 -0.08 -1.26 -4.13 116.55 124.83 3g3r n ASP 392 Ca 0.11 -2.84 0.08 0.00 -1.51 0.00 0.00 54.79 50.63 3g3r n ASP 392 Cb 0.47 -1.63 0.44 0.00 2.34 0.00 0.00 41.12 42.74 3g3r n ASP 392 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3g3r h ARG 393 N 6.34 0.52 -0.01 -0.67 3.08 -1.83 -1.36 114.38 120.44 3g3r h ARG 393 Ca 0.54 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.56 3g3r h ARG 393 Cb 0.67 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3g3r h ARG 393 CO 1.84 0.34 -0.78 0.25 -1.07 0.00 0.00 179.97 180.55 3g3r n THR 394 N -4.47 0.00 -3.01 2.04 -2.24 -1.26 -4.63 114.28 100.71 3g3r n THR 394 Ca 0.07 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 3g3r n THR 394 Cb 0.22 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.52 3g3r n THR 394 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3g3r n HIS 395 N -0.96 -1.86 -1.00 4.78 8.25 -0.51 -1.64 115.22 122.28 3g3r n HIS 395 Ca 0.06 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 3g3r n HIS 395 Cb 0.38 -4.21 0.00 0.00 1.12 0.00 0.00 29.99 27.28 3g3r n HIS 395 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3r n LYS 396 N -3.89 -0.57 -1.97 -0.41 5.02 -1.26 -5.02 118.16 110.07 3g3r n LYS 396 Ca -0.11 0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 3g3r n LYS 396 Cb 0.62 -3.57 0.06 0.00 -0.02 0.00 0.00 35.03 32.12 3g3r n LYS 396 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3g3r s ASN 397 N -2.02 5.02 0.17 4.39 2.47 -0.65 -5.00 114.94 119.32 3g3r s ASN 397 Ca 0.00 0.89 0.26 0.00 0.42 0.00 0.00 52.86 54.43 3g3r s ASN 397 Cb 0.00 -1.57 0.91 0.00 -1.45 0.00 0.00 41.25 39.15 3g3r s ASN 397 CO 0.00 -1.57 1.79 -2.67 -3.72 0.00 0.00 177.10 170.94 3g3r n TRP 398 N -3.09 0.70 -3.92 0.43 4.27 -1.26 -4.78 117.44 109.80 3g3r n TRP 398 Ca 0.07 0.21 -0.10 0.00 -3.89 0.00 0.00 57.50 53.79 3g3r n TRP 398 Cb 0.59 -0.85 -0.10 0.00 -1.36 0.00 0.00 31.31 29.59 3g3r n TRP 398 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 3g3r s ARG 399 N -3.10 0.47 0.68 -2.67 1.70 -1.26 -4.75 118.95 110.02 3g3r s ARG 399 Ca 0.11 -0.55 -0.17 0.00 -0.47 0.00 0.00 55.73 54.65 3g3r s ARG 399 Cb 0.13 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 3g3r s ARG 399 CO 0.55 -0.11 1.16 0.54 -1.08 0.00 0.00 175.30 176.37 3g3r n ARG 400 N 1.31 0.80 0.00 3.89 1.74 -1.26 -4.80 116.66 118.34 3g3r n ARG 400 Ca -0.22 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3g3r n ARG 400 Cb 0.56 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 3g3r n ARG 400 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3g3r n THR 401 N -2.25 0.81 1.20 0.55 -2.24 -1.26 -4.61 114.28 106.48 3g3r n THR 401 Ca 0.15 -0.86 0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3g3r n THR 401 Cb 0.49 0.61 0.27 0.00 -2.10 0.00 0.00 70.33 69.59 3g3r n THR 401 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3g3r n ASP 402 N -0.40 2.28 -4.24 3.42 5.75 -1.26 -4.83 116.55 117.26 3g3r n ASP 402 Ca 0.00 -1.73 -0.14 0.00 -0.01 0.00 0.00 54.79 52.91 3g3r n ASP 402 Cb 0.24 0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 40.27 3g3r n ASP 402 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3g3r s ILE 403 N -2.06 1.13 0.00 2.12 -4.36 -1.26 -4.99 121.20 111.78 3g3r s ILE 403 Ca 0.31 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 3g3r s ILE 403 Cb 0.20 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 42.09 3g3r s ILE 403 CO 0.34 -0.75 0.00 0.61 0.24 0.00 0.00 174.94 175.38 3g3r n GLY 404 N -0.16 1.89 0.51 6.27 0.00 -1.26 -4.98 105.19 107.47 3g3r n GLY 404 Ca -0.11 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3g3r n GLY 404 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g3r n VAL 405 N 0.00 2.14 -1.70 1.61 0.24 -1.26 -4.91 118.33 114.46 3g3r n VAL 405 Ca 0.00 -2.59 -0.40 0.00 -2.04 0.00 0.00 64.34 59.31 3g3r n VAL 405 Cb 0.00 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 3g3r n VAL 405 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3g3r n ASP 406 N -1.17 7.80 -4.60 -1.34 5.75 -1.26 -4.96 116.55 116.78 3g3r n ASP 406 Ca 0.20 -2.86 -0.42 0.00 -0.01 0.00 0.00 54.79 51.70 3g3r n ASP 406 Cb 0.75 -1.48 0.01 0.00 -1.03 0.00 0.00 41.12 39.37 3g3r n ASP 406 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3g3r n TRP 407 N 3.06 1.11 0.19 2.11 -0.00 -1.26 -1.46 117.44 121.19 3g3r n TRP 407 Ca 0.67 0.58 0.07 0.00 -0.00 0.00 0.00 57.50 58.82 3g3r n TRP 407 Cb 0.26 -2.22 0.24 0.00 -0.00 0.00 0.00 31.31 29.58 3g3r n TRP 407 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3g3r n PRO 408 N 0.25 2.66 -3.03 5.87 -0.05 -1.26 -4.97 135.00 134.47 3g3r n PRO 408 Ca 0.09 -1.88 -0.13 0.00 -0.05 0.00 0.00 63.50 61.54 3g3r n PRO 408 Cb 0.38 -1.61 0.06 0.00 -0.05 0.00 0.00 33.50 32.28 3g3r n PRO 408 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3g3r n PHE 409 N 0.75 -1.58 0.27 0.54 3.72 -0.53 -4.89 117.46 115.73 3g3r n PHE 409 Ca 0.17 0.62 0.18 0.00 -0.05 0.00 0.00 57.45 58.37 3g3r n PHE 409 Cb 0.58 -3.83 0.96 0.00 -0.94 0.00 0.00 39.48 36.25 3g3r n PHE 409 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3g3r h LYS 410 N -1.42 0.00 0.00 -1.08 1.57 -1.93 -2.15 116.57 111.55 3g3r h LYS 410 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3g3r h LYS 410 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3g3r h LYS 410 CO 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 3g3r n GLN 411 N -2.74 0.03 -2.70 3.15 0.00 -1.26 -4.81 117.38 109.05 3g3r n GLN 411 Ca -0.02 0.16 -0.40 0.00 0.00 0.00 0.00 57.00 56.74 3g3r n GLN 411 Cb 0.06 -1.55 -0.06 0.00 0.00 0.00 0.00 30.24 28.69 3g3r n GLN 411 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3g3r s LEU 412 N -3.21 4.63 0.42 2.61 1.43 -0.81 -5.03 118.68 118.72 3g3r s LEU 412 Ca 0.10 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 54.95 3g3r s LEU 412 Cb 0.13 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 3g3r s LEU 412 CO 0.40 0.10 1.09 0.47 0.23 0.00 0.00 176.35 178.65 3g3r n ASP 413 N 1.48 1.66 -0.34 2.29 8.00 -1.26 -4.89 116.55 123.49 3g3r n ASP 413 Ca -0.02 1.06 0.14 0.00 0.71 0.00 0.00 54.79 56.69 3g3r n ASP 413 Cb 0.47 -1.40 0.35 0.00 -0.02 0.00 0.00 41.12 40.52 3g3r n ASP 413 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3g3r h ASP 414 N 1.72 0.74 0.99 -2.24 3.58 -1.96 -1.06 116.42 118.19 3g3r h ASP 414 Ca -0.45 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.10 3g3r h ASP 414 Cb 1.32 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3g3r h ASP 414 CO 0.58 0.24 0.00 0.07 -2.88 0.00 0.00 179.24 177.25 3g3r h LYS 415 N 0.71 0.00 -0.02 0.28 2.10 -2.01 -3.09 116.57 114.54 3g3r h LYS 415 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 3g3r h LYS 415 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 3g3r h LYS 415 CO -0.38 0.00 -0.01 -0.25 -2.00 0.00 0.00 179.45 176.81 3g3r n ASP 416 N -2.35 2.14 -3.86 7.07 9.92 -0.40 -4.88 116.55 124.19 3g3r n ASP 416 Ca 0.03 -1.70 -0.12 0.00 -0.53 0.00 0.00 54.79 52.47 3g3r n ASP 416 Cb 0.30 0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 40.65 3g3r n ASP 416 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3g3r s ILE 417 N -2.02 -0.01 -0.22 0.53 2.07 -1.17 -0.54 121.20 119.85 3g3r s ILE 417 Ca 0.33 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.61 3g3r s ILE 417 Cb 0.20 -0.02 0.04 0.00 0.13 0.00 0.00 42.46 42.81 3g3r s ILE 417 CO 0.33 0.01 -0.15 0.00 -1.91 0.00 0.00 174.94 173.22 3g3r s ARG 419 N 1.23 3.23 0.09 0.00 0.52 -1.26 -1.14 118.95 121.62 3g3r s ARG 419 Ca -0.01 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 3g3r s ARG 419 Cb -0.16 -3.93 -0.06 0.00 0.52 0.00 0.00 34.95 31.32 3g3r s ARG 419 CO -0.09 -0.82 1.17 0.12 0.02 0.00 0.00 175.30 175.70 3g3r s PHE 420 N 2.26 3.47 0.23 -0.53 5.36 -0.48 -4.93 117.98 123.36 3g3r s PHE 420 Ca 0.14 1.38 0.17 0.00 -0.96 0.00 0.00 56.93 57.66 3g3r s PHE 420 Cb -0.16 -3.39 0.66 0.00 -0.34 0.00 0.00 43.02 39.79 3g3r s PHE 420 CO 0.14 -1.11 1.74 -1.35 -1.46 0.00 0.00 175.22 173.18 3g3r h PRO 421 N 6.36 0.00 -6.17 10.12 0.11 -1.96 -3.42 132.00 137.03 3g3r h PRO 421 Ca -0.42 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.14 3g3r h PRO 421 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 3g3r h PRO 421 CO 0.79 0.41 -0.59 0.71 -0.21 0.00 0.00 178.00 179.11 3g3r s TYR 422 N -3.71 2.78 0.45 0.65 2.02 -1.26 -4.48 117.35 113.79 3g3r s TYR 422 Ca -0.01 -0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 3g3r s TYR 422 Cb 0.12 -1.36 -0.07 0.00 -0.40 0.00 0.00 41.96 40.25 3g3r s TYR 422 CO 0.70 0.52 0.85 0.00 -1.57 0.00 0.00 175.55 176.05 3g3r s ALA 423 N -2.32 3.25 -0.17 3.71 0.00 -0.54 -4.71 121.76 120.99 3g3r s ALA 423 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 3g3r s ALA 423 Cb -0.06 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 3g3r s ALA 423 CO 0.22 -0.10 -0.11 0.08 0.00 0.00 0.00 175.76 175.85 3g3r s VAL 424 N -2.48 3.06 -0.20 0.00 1.01 0.05 -0.88 120.40 120.98 3g3r s VAL 424 Ca 0.54 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 3g3r s VAL 424 Cb -0.10 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3g3r s VAL 424 CO 0.32 0.49 0.06 -0.22 0.00 0.00 0.00 175.10 175.75 3g3r s LEU 425 N 0.83 3.68 -0.07 3.92 2.96 -0.06 -0.32 118.68 129.64 3g3r s LEU 425 Ca -0.03 -0.00 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3g3r s LEU 425 Cb -0.15 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3g3r s LEU 425 CO 0.01 0.12 -0.25 -1.61 -1.32 0.00 0.00 176.35 173.30 3g3r s GLU 426 N 0.67 2.66 -0.17 1.98 2.02 -0.19 -0.47 118.70 125.19 3g3r s GLU 426 Ca 0.03 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.13 3g3r s GLU 426 Cb -0.13 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 31.93 3g3r s GLU 426 CO 0.02 0.33 -0.18 0.08 0.02 0.00 0.00 175.26 175.52 3g3r s VAL 427 N -0.04 2.27 -0.34 2.63 1.01 -0.41 -1.27 120.40 124.25 3g3r s VAL 427 Ca -0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3g3r s VAL 427 Cb -0.15 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.35 3g3r s VAL 427 CO 0.05 0.53 0.08 -0.54 0.00 0.00 0.00 175.10 175.21 3g3r s LYS 428 N 1.10 2.32 -0.07 2.72 3.01 0.17 -2.00 119.74 126.99 3g3r s LYS 428 Ca 0.00 -1.42 -0.04 0.00 -1.01 0.00 0.00 55.97 53.50 3g3r s LYS 428 Cb -0.14 -3.34 -0.04 0.00 -1.01 0.00 0.00 37.83 33.30 3g3r s LYS 428 CO -0.07 -0.76 0.13 -0.51 0.51 0.00 0.00 175.35 174.65 3g3r s LEU 429 N 1.24 4.24 -0.49 3.17 1.43 0.13 -1.12 118.68 127.28 3g3r s LEU 429 Ca -0.01 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3g3r s LEU 429 Cb -0.21 -2.22 0.15 0.00 0.03 0.00 0.00 46.19 43.94 3g3r s LEU 429 CO -0.01 0.35 0.31 -1.10 0.23 0.00 0.00 176.35 176.12 3g3r s GLN 430 N -1.35 1.51 -0.16 1.70 -0.21 0.34 -1.00 119.66 120.48 3g3r s GLN 430 Ca 0.19 -2.34 -0.21 0.00 0.02 0.00 0.00 55.36 53.03 3g3r s GLN 430 Cb -0.12 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 3g3r s GLN 430 CO 0.09 -1.22 0.61 0.99 -2.12 0.00 0.00 175.29 173.64 3g3r s THR 431 N -0.11 5.05 -0.29 -0.19 2.01 -0.89 -4.46 115.64 116.76 3g3r s THR 431 Ca 0.22 1.18 -0.28 0.00 0.31 0.00 0.00 61.69 63.11 3g3r s THR 431 Cb -0.16 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3g3r s THR 431 CO -0.07 0.17 1.84 0.00 -0.69 0.00 0.00 174.62 175.87 3g3r s GLN 432 N 1.53 3.39 0.37 4.92 0.00 -1.26 -3.17 119.66 125.44 3g3r s GLN 432 Ca 0.29 1.59 -0.26 0.00 -0.00 0.00 0.00 55.36 56.98 3g3r s GLN 432 Cb -0.16 -4.20 -0.12 0.00 0.00 0.00 0.00 33.01 28.53 3g3r s GLN 432 CO 0.11 -1.79 1.14 1.28 0.00 0.00 0.00 175.29 176.04 3g3r n LEU 433 N 10.17 3.00 -2.82 2.60 4.32 -1.26 -0.95 117.00 132.07 3g3r n LEU 433 Ca 0.23 1.13 -0.33 0.00 -0.02 0.00 0.00 56.01 57.02 3g3r n LEU 433 Cb 0.46 -1.41 0.01 0.00 -1.62 0.00 0.00 43.42 40.87 3g3r n LEU 433 CO 0.68 -1.01 0.83 0.61 -1.22 0.00 0.00 177.39 177.28 3g3r n GLY 434 N 0.99 5.79 3.94 -0.72 0.00 -1.26 -5.10 105.19 108.85 3g3r n GLY 434 Ca 0.07 -2.64 -0.24 0.00 0.00 0.00 0.00 46.02 43.21 3g3r n GLY 434 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3r s GLN 435 N -3.82 2.30 0.36 1.61 -0.21 -0.13 -5.11 119.66 114.66 3g3r s GLN 435 Ca 0.49 -0.43 0.04 0.00 0.02 0.00 0.00 55.36 55.48 3g3r s GLN 435 Cb 0.38 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 32.11 3g3r s GLN 435 CO -0.27 -1.08 0.53 -1.83 -2.12 0.00 0.00 175.29 170.52 3g3r s GLU 436 N -5.09 3.13 0.82 2.91 4.04 -1.26 -4.80 118.70 118.45 3g3r s GLU 436 Ca 0.59 -0.81 -0.12 0.00 0.04 0.00 0.00 54.97 54.67 3g3r s GLU 436 Cb -0.11 -2.74 0.09 0.00 0.02 0.00 0.00 34.13 31.40 3g3r s GLU 436 CO 0.43 -0.02 1.18 -2.14 -1.84 0.00 0.00 175.26 172.87 3g3r s PRO 437 N -4.29 1.57 0.42 -4.83 0.02 -1.26 -4.92 135.00 121.71 3g3r s PRO 437 Ca 0.45 1.67 -0.24 0.00 0.02 0.00 0.00 61.00 62.90 3g3r s PRO 437 Cb -0.10 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 3g3r s PRO 437 CO 0.33 -2.25 0.86 -2.30 -0.33 0.00 0.00 177.00 173.32 3g3r n PRO 438 N -3.48 1.07 -0.24 5.54 -0.02 -1.26 -4.75 135.00 131.86 3g3r n PRO 438 Ca 0.13 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 3g3r n PRO 438 Cb 0.51 -1.86 0.37 0.00 -0.02 0.00 0.00 33.50 32.51 3g3r n PRO 438 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3g3r h GLU 439 N 1.28 0.68 -0.08 -0.52 9.09 -2.00 -2.02 114.58 121.01 3g3r h GLU 439 Ca -0.43 -0.04 -0.18 0.00 0.05 0.00 0.00 59.36 58.76 3g3r h GLU 439 Cb 1.36 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 3g3r h GLU 439 CO 0.55 0.45 -0.71 0.11 0.05 0.00 0.00 179.01 179.47 3g3r h TRP 440 N 0.70 0.53 0.04 2.06 5.08 -1.99 -2.08 115.95 120.30 3g3r h TRP 440 Ca 0.41 -0.23 -0.00 0.00 1.08 0.00 0.00 58.89 60.15 3g3r h TRP 440 Cb 0.60 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.67 3g3r h TRP 440 CO -0.00 0.98 -0.02 0.28 -1.28 0.00 0.00 178.44 178.39 3g3r h VAL 441 N 0.28 1.19 -0.91 0.12 2.07 -1.74 -2.10 116.25 115.15 3g3r h VAL 441 Ca -0.03 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3g3r h VAL 441 Cb 1.27 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 3g3r h VAL 441 CO 0.12 0.19 0.51 0.03 0.02 0.00 0.00 177.57 178.45 3g3r h ARG 442 N -0.40 1.27 -0.62 1.57 3.08 -1.44 -2.06 114.38 115.78 3g3r h ARG 442 Ca -0.01 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3g3r h ARG 442 Cb 0.36 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3g3r h ARG 442 CO 0.01 0.91 0.25 0.93 -1.07 0.00 0.00 179.97 181.00 3g3r h GLU 443 N 1.27 0.93 0.88 0.04 4.39 -1.38 -2.82 114.58 117.89 3g3r h GLU 443 Ca 0.32 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 3g3r h GLU 443 Cb 0.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3g3r h GLU 443 CO -0.05 0.79 -0.47 1.25 -1.16 0.00 0.00 179.01 179.36 3g3r h LEU 444 N 0.87 -1.15 -1.29 1.33 5.85 -0.94 -1.50 115.31 118.47 3g3r h LEU 444 Ca 0.21 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.15 3g3r h LEU 444 Cb 0.21 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 3g3r h LEU 444 CO -0.02 -0.76 0.60 -0.37 -0.34 0.00 0.00 178.44 177.55 3g3r h VAL 445 N -1.24 0.75 0.00 1.05 -1.51 -1.39 0.31 116.25 114.22 3g3r h VAL 445 Ca -0.12 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 3g3r h VAL 445 Cb 0.97 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3g3r h VAL 445 CO 0.17 0.11 -0.06 0.61 -1.23 0.00 0.00 177.57 177.17 3g3r n GLY 446 N -1.43 -1.60 3.76 5.19 0.00 -1.07 -4.77 105.19 105.27 3g3r n GLY 446 Ca 0.20 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3g3r n GLY 446 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3r s SER 447 N -3.93 4.37 0.12 1.61 1.04 0.11 -4.90 113.70 112.11 3g3r s SER 447 Ca 0.12 1.72 0.16 0.00 0.48 0.00 0.00 55.95 58.43 3g3r s SER 447 Cb 0.15 -2.43 0.70 0.00 0.10 0.00 0.00 66.02 64.54 3g3r s SER 447 CO 0.59 -2.11 1.50 0.00 0.98 0.00 0.00 173.24 174.20 3g3r n HIS 448 N -3.56 0.35 0.24 5.02 1.44 -1.26 -3.16 115.22 114.28 3g3r n HIS 448 Ca 0.08 0.15 0.07 0.00 -2.01 0.00 0.00 57.72 56.01 3g3r n HIS 448 Cb 0.54 -0.74 0.57 0.00 0.12 0.00 0.00 29.99 30.48 3g3r n HIS 448 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3g3r h LEU 449 N 0.00 0.01 -8.47 2.39 4.07 -1.91 -3.44 115.31 107.96 3g3r h LEU 449 Ca 0.00 -0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.49 3g3r h LEU 449 Cb 0.22 -0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.73 3g3r h LEU 449 CO 0.00 0.10 -0.80 0.68 -1.08 0.00 0.00 178.44 177.34 3g3r s VAL 450 N -4.85 1.32 -0.29 1.22 -7.23 -1.19 -4.49 120.40 104.90 3g3r s VAL 450 Ca -0.04 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3g3r s VAL 450 Cb 0.16 -1.22 0.05 0.00 0.56 0.00 0.00 36.38 35.93 3g3r s VAL 450 CO 0.68 -0.08 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.67 3g3r s GLU 451 N -1.58 2.51 0.19 4.82 2.12 -0.19 -4.86 118.70 121.71 3g3r s GLU 451 Ca 0.02 -1.21 -0.32 0.00 0.36 0.00 0.00 54.97 53.82 3g3r s GLU 451 Cb -0.09 -3.12 -0.12 0.00 0.26 0.00 0.00 34.13 31.06 3g3r s GLU 451 CO 0.02 -0.57 1.75 -2.30 -0.54 0.00 0.00 175.26 173.62 3g3r n PRO 452 N 4.62 2.76 -3.71 4.30 -0.02 -1.26 -0.41 135.00 141.29 3g3r n PRO 452 Ca -0.14 1.00 -0.30 0.00 -2.02 0.00 0.00 63.50 62.04 3g3r n PRO 452 Cb 0.44 -2.85 -0.14 0.00 -0.02 0.00 0.00 33.50 30.93 3g3r n PRO 452 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3g3r s VAL 453 N 1.51 1.18 0.11 -1.45 1.01 -0.73 -4.89 120.40 117.15 3g3r s VAL 453 Ca 0.77 -2.17 -0.34 0.00 0.00 0.00 0.00 61.98 60.24 3g3r s VAL 453 Cb -0.51 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 33.90 3g3r s VAL 453 CO 0.34 -0.84 1.54 -0.65 0.00 0.00 0.00 175.10 175.49 3g3r h PRO 454 N 7.14 -0.60 -0.67 2.72 0.11 -1.94 -2.65 132.00 136.11 3g3r h PRO 454 Ca -0.04 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3g3r h PRO 454 Cb 0.96 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3g3r h PRO 454 CO 0.46 -0.40 0.00 1.63 -0.21 0.00 0.00 178.00 179.48 3g3r n LYS 455 N -5.39 4.01 -1.68 1.05 5.02 -1.26 -4.57 118.16 115.33 3g3r n LYS 455 Ca -0.07 -2.44 -0.41 0.00 -2.02 0.00 0.00 58.31 53.37 3g3r n LYS 455 Cb 0.38 -2.09 0.01 0.00 -0.02 0.00 0.00 35.03 33.31 3g3r n LYS 455 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g3r n PHE 456 N 0.50 1.93 -3.68 2.13 7.35 -1.00 -5.00 117.46 119.69 3g3r n PHE 456 Ca 0.22 0.52 -0.11 0.00 -0.76 0.00 0.00 57.45 57.32 3g3r n PHE 456 Cb 0.98 -2.35 -0.11 0.00 0.35 0.00 0.00 39.48 38.35 3g3r n PHE 456 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3g3r s SER 457 N -0.56 -0.12 0.21 -2.13 0.15 -1.26 -5.04 113.70 104.95 3g3r s SER 457 Ca 0.61 0.79 -0.09 0.00 0.70 0.00 0.00 55.95 57.95 3g3r s SER 457 Cb -0.53 0.90 0.16 0.00 -1.71 0.00 0.00 66.02 64.84 3g3r s SER 457 CO 0.58 -0.22 1.85 0.11 1.20 0.00 0.00 173.24 176.77 3g3r h LYS 458 N 7.86 1.06 0.36 5.44 1.57 -1.98 0.20 116.57 131.08 3g3r h LYS 458 Ca -0.23 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3g3r h LYS 458 Cb 1.13 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3g3r h LYS 458 CO 0.19 0.76 -0.35 0.35 -0.57 0.00 0.00 179.45 179.83 3g3r h PHE 459 N 1.07 -0.96 -0.71 -1.35 3.57 -1.99 -0.31 116.94 116.27 3g3r h PHE 459 Ca 0.28 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3g3r h PHE 459 Cb -0.03 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3g3r h PHE 459 CO -0.01 -0.50 0.34 0.82 -2.23 0.00 0.00 178.31 176.74 3g3r h ILE 460 N -0.74 1.23 -0.59 1.41 2.04 -1.91 -1.75 117.51 117.20 3g3r h ILE 460 Ca -0.03 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3g3r h ILE 460 Cb 0.66 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3g3r h ILE 460 CO -0.06 0.27 0.39 -0.74 0.00 0.00 0.00 178.15 178.02 3g3r h HIS 461 N 1.00 0.74 -0.21 1.37 2.76 -0.43 -1.67 115.15 118.70 3g3r h HIS 461 Ca 0.24 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 3g3r h HIS 461 Cb 0.12 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3g3r h HIS 461 CO 0.01 0.47 0.09 0.78 -1.30 0.00 0.00 177.93 177.97 3g3r h GLY 462 N 0.80 0.33 0.96 5.26 0.00 -0.62 -1.15 103.07 108.66 3g3r h GLY 462 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3g3r h GLY 462 CO -0.05 0.16 0.20 -2.08 0.00 0.00 0.00 176.54 174.77 3g3r h VAL 463 N 0.20 1.20 -0.22 4.60 2.07 -1.23 -0.05 116.25 122.82 3g3r h VAL 463 Ca 0.07 -0.61 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 3g3r h VAL 463 Cb 0.15 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3g3r h VAL 463 CO -0.01 0.23 -0.41 0.00 0.02 0.00 0.00 177.57 177.40 3g3r h ALA 464 N 1.05 0.88 0.05 1.67 0.00 -1.19 0.13 119.26 121.85 3g3r h ALA 464 Ca 0.16 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3g3r h ALA 464 Cb 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3g3r h ALA 464 CO -0.02 0.64 -0.45 1.15 0.00 0.00 0.00 179.25 180.58 3g3r h THR 465 N 0.42 1.58 0.09 0.00 2.02 -1.12 -3.19 112.91 112.72 3g3r h THR 465 Ca 0.03 -2.28 -0.26 0.00 0.77 0.00 0.00 66.41 64.67 3g3r h THR 465 Cb 0.90 3.07 -0.00 0.00 -1.74 0.00 0.00 68.15 70.38 3g3r h THR 465 CO 0.08 0.63 -1.17 -0.07 0.37 0.00 0.00 175.52 175.36 3g3r h LEU 466 N -0.53 0.36 -4.19 2.58 3.38 -1.03 -3.29 115.31 112.59 3g3r h LEU 466 Ca -0.07 -0.37 -0.64 0.00 0.09 0.00 0.00 57.88 56.88 3g3r h LEU 466 Cb 1.28 -0.12 -0.35 0.00 0.09 0.00 0.00 40.66 41.57 3g3r h LEU 466 CO 0.08 1.27 0.14 0.18 0.09 0.00 0.00 178.44 180.21 3g3r n LEU 467 N -3.53 6.35 0.17 1.67 4.77 0.03 -4.81 117.00 121.65 3g3r n LEU 467 Ca -0.07 -4.68 0.04 0.00 -0.03 0.00 0.00 56.01 51.27 3g3r n LEU 467 Cb 0.99 -0.72 0.45 0.00 -2.33 0.00 0.00 43.42 41.81 3g3r n LEU 467 CO 0.52 1.84 0.91 -0.55 -1.33 0.00 0.00 177.39 178.78 3g3r h ASN 468 N 2.33 0.12 1.72 -1.43 -1.07 -1.63 -0.88 115.58 114.75 3g3r h ASN 468 Ca 0.48 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.83 3g3r h ASN 468 Cb 0.90 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.12 3g3r h ASN 468 CO 1.19 0.28 0.00 0.44 0.07 0.00 0.00 177.43 179.41 3g3r h ASP 469 N 0.13 0.00 0.20 6.14 3.32 -1.88 -3.34 116.42 120.99 3g3r h ASP 469 Ca 0.03 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.73 3g3r h ASP 469 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3g3r h ASP 469 CO 0.02 0.00 -1.99 1.17 -1.72 0.00 0.00 179.24 176.72 3g3r n LYS 470 N -2.69 0.71 -2.64 3.56 4.81 -0.39 -4.95 118.16 116.57 3g3r n LYS 470 Ca 0.05 0.25 -0.36 0.00 -0.87 0.00 0.00 58.31 57.37 3g3r n LYS 470 Cb 0.48 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.77 3g3r n LYS 470 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3g3r s VAL 471 N -2.56 3.94 -1.35 3.15 -7.23 -0.89 -4.96 120.40 110.50 3g3r s VAL 471 Ca -0.18 1.47 0.16 0.00 -1.81 0.00 0.00 61.98 61.62 3g3r s VAL 471 Cb 0.07 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 3g3r s VAL 471 CO 0.77 -0.00 0.83 0.47 -0.31 0.00 0.00 175.10 176.85 3g3r n ASP 472 N 0.01 1.46 -3.98 4.85 8.00 -1.26 -4.94 116.55 120.69 3g3r n ASP 472 Ca 0.04 -1.23 -0.12 0.00 0.71 0.00 0.00 54.79 54.20 3g3r n ASP 472 Cb 0.50 0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 42.06 3g3r n ASP 472 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g3r s SER 473 N -2.04 0.42 -0.02 -2.24 0.01 -1.26 -5.16 113.70 103.40 3g3r s SER 473 Ca 0.12 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.04 3g3r s SER 473 Cb 0.13 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.40 3g3r s SER 473 CO 0.46 -0.17 -0.09 -0.63 0.41 0.00 0.00 173.24 173.23 3g3r s ILE 474 N -0.98 0.77 0.93 1.44 1.01 -1.26 -4.99 121.20 118.12 3g3r s ILE 474 Ca -0.09 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3g3r s ILE 474 Cb -0.07 -0.68 0.15 0.00 0.01 0.00 0.00 42.46 41.87 3g3r s ILE 474 CO -0.00 0.24 1.12 -2.16 0.00 0.00 0.00 174.94 174.14 3g3r s PRO 475 N 0.12 0.94 0.00 2.79 0.04 -1.26 -4.91 135.00 132.72 3g3r s PRO 475 Ca -0.02 1.38 0.29 0.00 0.04 0.00 0.00 61.00 62.69 3g3r s PRO 475 Cb -0.08 -1.73 1.34 0.00 0.04 0.00 0.00 34.50 34.08 3g3r s PRO 475 CO 0.00 -2.63 1.92 1.19 0.04 0.00 0.00 177.00 177.52 3g3r n PHE 476 N -4.22 0.00 1.36 0.56 3.72 -1.26 -2.47 117.46 115.15 3g3r n PHE 476 Ca 0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 3g3r n PHE 476 Cb 0.53 -0.08 0.61 0.00 -0.94 0.00 0.00 39.48 39.60 3g3r n PHE 476 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 3g3r n TRP 477 N -0.62 0.00 -4.25 1.38 2.14 -1.26 -4.86 117.44 109.96 3g3r n TRP 477 Ca 0.18 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.51 3g3r n TRP 477 Cb 0.26 -0.22 -0.07 0.00 -0.81 0.00 0.00 31.31 30.47 3g3r n TRP 477 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3g3r s LEU 478 N -2.55 3.27 0.00 5.67 1.43 -1.03 -5.07 118.68 120.41 3g3r s LEU 478 Ca 0.27 -0.54 -0.36 0.00 -1.03 0.00 0.00 54.13 52.47 3g3r s LEU 478 Cb 0.20 -1.84 -0.14 0.00 0.03 0.00 0.00 46.19 44.43 3g3r s LEU 478 CO 0.49 0.03 1.63 -2.65 0.23 0.00 0.00 176.35 176.07 3g3r n PRO 479 N -0.66 1.73 -0.19 1.29 -0.02 -1.26 -4.87 135.00 131.02 3g3r n PRO 479 Ca -0.08 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3g3r n PRO 479 Cb 0.58 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3g3r n PRO 479 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48