#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d12 s GLY 177 N 0.00 1.92 0.44 0.62 0.00 -1.26 -2.47 107.32 106.56 3d12 s GLY 177 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.66 3d12 s GLY 177 CO 0.00 0.87 1.03 0.14 0.00 0.00 0.00 173.10 175.15 3d12 s VAL 178 N 1.88 3.82 0.10 1.40 1.01 -1.23 -4.77 120.40 122.62 3d12 s VAL 178 Ca 0.14 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.42 3d12 s VAL 178 Cb -0.16 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3d12 s VAL 178 CO 0.10 -0.14 -0.15 -0.55 0.00 0.00 0.00 175.10 174.35 3d12 s SER 179 N -1.82 1.99 0.68 3.32 0.15 -0.72 -3.94 113.70 113.36 3d12 s SER 179 Ca 0.63 -0.71 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 3d12 s SER 179 Cb -0.18 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 3d12 s SER 179 CO 0.22 -0.08 0.84 0.59 1.20 0.00 0.00 173.24 176.02 3d12 n ASN 180 N 0.92 0.09 -4.56 5.45 4.13 -1.26 -0.15 115.26 119.89 3d12 n ASN 180 Ca -0.18 0.69 -0.34 0.00 1.68 0.00 0.00 54.58 56.42 3d12 n ASN 180 Cb 0.55 -1.35 -0.04 0.00 -1.54 0.00 0.00 39.78 37.41 3d12 n ASN 180 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3d12 s LEU 181 N -1.98 3.25 0.09 3.41 2.96 -1.26 -4.33 118.68 120.82 3d12 s LEU 181 Ca 0.72 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3d12 s LEU 181 Cb -0.37 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3d12 s LEU 181 CO 0.51 -2.38 -0.07 0.68 -1.32 0.00 0.00 176.35 173.77 3d12 s VAL 182 N 8.69 0.73 0.00 1.68 -7.23 -1.26 -0.61 120.40 122.39 3d12 s VAL 182 Ca 0.63 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 3d12 s VAL 182 Cb -0.08 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.41 3d12 s VAL 182 CO 0.08 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 3d12 n GLY 183 N 0.31 2.15 2.90 2.32 0.00 -1.26 -4.21 105.19 107.40 3d12 n GLY 183 Ca -0.15 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 3d12 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d12 s LEU 184 N 0.00 3.94 1.23 0.99 1.43 -1.26 -4.99 118.68 120.02 3d12 s LEU 184 Ca 0.00 -2.87 -0.18 0.00 -1.03 0.00 0.00 54.13 50.05 3d12 s LEU 184 Cb 0.00 -1.49 0.30 0.00 0.03 0.00 0.00 46.19 45.02 3d12 s LEU 184 CO 0.00 -0.25 1.04 -2.84 0.23 0.00 0.00 176.35 174.53 3d12 s PRO 185 N -0.06 -1.44 1.23 1.29 0.02 -1.26 -5.01 135.00 129.76 3d12 s PRO 185 Ca 0.17 0.24 -0.17 0.00 0.02 0.00 0.00 61.00 61.26 3d12 s PRO 185 Cb -0.25 -1.54 0.26 0.00 0.02 0.00 0.00 34.50 32.98 3d12 s PRO 185 CO -0.01 -3.92 0.62 0.09 -0.33 0.00 0.00 177.00 173.45 3d12 n ASN 186 N -4.97 -2.78 -4.79 2.53 4.13 -0.44 -4.96 115.26 103.98 3d12 n ASN 186 Ca 0.10 -0.39 -0.35 0.00 1.68 0.00 0.00 54.58 55.61 3d12 n ASN 186 Cb 0.58 -1.04 -0.05 0.00 -1.54 0.00 0.00 39.78 37.73 3d12 n ASN 186 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3d12 s ASN 187 N -2.36 6.93 0.14 6.41 0.01 -1.26 -4.92 114.94 119.88 3d12 s ASN 187 Ca 0.61 1.88 0.11 0.00 -0.71 0.00 0.00 52.86 54.74 3d12 s ASN 187 Cb -0.16 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 3d12 s ASN 187 CO 0.59 -0.37 -0.26 0.27 -1.51 0.00 0.00 177.10 175.82 3d12 s ILE 188 N -1.81 2.24 0.10 0.60 -4.36 -1.26 -3.83 121.20 112.88 3d12 s ILE 188 Ca 0.58 -1.79 -0.33 0.00 -0.26 0.00 0.00 60.65 58.84 3d12 s ILE 188 Cb -0.17 -1.99 -0.13 0.00 1.25 0.00 0.00 42.46 41.42 3d12 s ILE 188 CO 0.22 0.04 1.69 0.00 0.24 0.00 0.00 174.94 177.14 3d12 n LEU 190 N 4.48 3.40 -4.66 0.00 4.77 -1.26 -4.99 117.00 118.74 3d12 n LEU 190 Ca 0.18 -2.35 -0.35 0.00 -0.03 0.00 0.00 56.01 53.46 3d12 n LEU 190 Cb 0.30 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3d12 n LEU 190 CO 0.66 0.73 -0.24 -1.10 -1.33 0.00 0.00 177.39 176.10 3d12 s GLN 191 N -1.63 3.91 -0.16 3.23 -1.52 -1.26 -5.05 119.66 117.18 3d12 s GLN 191 Ca 0.32 -0.32 -0.29 0.00 -1.95 0.00 0.00 55.36 53.12 3d12 s GLN 191 Cb 0.21 -3.21 -0.05 0.00 -0.22 0.00 0.00 33.01 29.74 3d12 s GLN 191 CO 0.15 0.33 2.03 0.21 -0.25 0.00 0.00 175.29 177.76 3d12 s LYS 192 N 0.21 3.53 0.27 2.91 2.20 -1.26 -4.63 119.74 122.96 3d12 s LYS 192 Ca 0.05 2.09 0.03 0.00 -0.36 0.00 0.00 55.97 57.78 3d12 s LYS 192 Cb -0.12 -4.25 -0.06 0.00 -1.51 0.00 0.00 37.83 31.89 3d12 s LYS 192 CO 0.00 -1.65 0.05 -0.08 -0.36 0.00 0.00 175.35 173.31 3d12 s THR 193 N 6.67 0.96 -0.45 3.43 -1.32 -0.48 -5.00 115.64 119.45 3d12 s THR 193 Ca 0.91 -2.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.42 3d12 s THR 193 Cb -0.34 -2.58 0.01 0.00 -1.51 0.00 0.00 72.50 68.09 3d12 s THR 193 CO 0.36 -0.12 0.51 -1.20 -2.21 0.00 0.00 174.62 171.95 3d12 n SER 194 N -0.52 1.04 -4.77 8.08 7.64 -1.26 -4.42 113.62 119.40 3d12 n SER 194 Ca -0.03 -1.02 -0.37 0.00 1.01 0.00 0.00 58.87 58.46 3d12 n SER 194 Cb 0.65 0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 3d12 n SER 194 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3d12 s ASN 195 N -0.64 6.23 -1.51 6.43 -0.87 -1.26 -4.90 114.94 118.41 3d12 s ASN 195 Ca 0.04 2.35 -0.13 0.00 -1.57 0.00 0.00 52.86 53.56 3d12 s ASN 195 Cb 0.03 -2.61 -0.00 0.00 -0.02 0.00 0.00 41.25 38.65 3d12 s ASN 195 CO 0.08 -0.88 2.48 0.00 -2.57 0.00 0.00 177.10 176.21 3d12 n GLN 196 N -0.34 3.16 0.11 -0.60 1.13 -1.26 -4.55 117.38 115.03 3d12 n GLN 196 Ca 0.06 -2.48 -0.03 0.00 -1.94 0.00 0.00 57.00 52.61 3d12 n GLN 196 Cb 0.47 -3.12 0.12 0.00 0.11 0.00 0.00 30.24 27.83 3d12 n GLN 196 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 3d12 h ILE 197 N 3.65 1.46 -3.16 5.09 3.07 -1.83 -3.43 117.51 122.35 3d12 h ILE 197 Ca 0.67 -2.22 -0.55 0.00 1.55 0.00 0.00 64.86 64.31 3d12 h ILE 197 Cb 0.52 2.19 -0.03 0.00 -0.27 0.00 0.00 36.82 39.23 3d12 h ILE 197 CO 1.85 0.64 0.64 -0.76 -1.05 0.00 0.00 178.15 179.47 3d12 s LEU 198 N -7.60 4.27 -0.51 0.16 1.43 -1.26 -4.77 118.68 110.39 3d12 s LEU 198 Ca -0.02 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 3d12 s LEU 198 Cb 0.12 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 42.95 3d12 s LEU 198 CO 0.78 -0.52 0.38 -0.54 0.23 0.00 0.00 176.35 176.68 3d12 s LYS 199 N 2.08 1.47 0.63 1.70 1.02 -1.26 -4.93 119.74 120.44 3d12 s LYS 199 Ca 0.53 -2.51 -0.18 0.00 0.02 0.00 0.00 55.97 53.82 3d12 s LYS 199 Cb -0.22 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 3d12 s LYS 199 CO 0.21 -1.33 1.21 -2.30 -0.92 0.00 0.00 175.35 172.22 3d12 n PRO 200 N 2.62 1.11 -4.64 -1.68 -0.02 -1.26 -4.71 135.00 126.42 3d12 n PRO 200 Ca 0.24 0.43 -0.26 0.00 -2.02 0.00 0.00 63.50 61.89 3d12 n PRO 200 Cb 0.42 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 3d12 n PRO 200 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3d12 s LYS 201 N -3.17 1.42 -0.24 -0.52 1.02 0.12 -4.98 119.74 113.40 3d12 s LYS 201 Ca 0.80 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 55.62 3d12 s LYS 201 Cb -0.39 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 3d12 s LYS 201 CO 0.43 0.40 0.49 -1.17 -0.92 0.00 0.00 175.35 174.57 3d12 s LEU 202 N -1.27 4.08 -0.03 3.17 2.96 -1.26 -0.41 118.68 125.91 3d12 s LEU 202 Ca 0.08 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.56 3d12 s LEU 202 Cb -0.09 -2.63 0.07 0.00 0.50 0.00 0.00 46.19 44.04 3d12 s LEU 202 CO 0.02 -0.24 0.92 2.30 -1.32 0.00 0.00 176.35 178.04 3d12 n ILE 203 N 4.96 0.83 -0.10 6.68 -5.35 -0.18 -4.86 119.36 121.33 3d12 n ILE 203 Ca -0.05 -0.92 -0.12 0.00 -0.27 0.00 0.00 62.75 61.39 3d12 n ILE 203 Cb 0.50 0.43 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 3d12 n ILE 203 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3d12 h SER 204 N 0.00 -1.60 -0.14 7.28 0.02 -1.91 -2.95 113.55 114.25 3d12 h SER 204 Ca 0.00 0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3d12 h SER 204 Cb 0.88 0.67 -0.03 0.00 0.14 0.00 0.00 62.40 64.06 3d12 h SER 204 CO 0.00 -0.40 -0.01 0.00 -1.14 0.00 0.00 176.83 175.27 3d12 n TYR 205 N -5.41 0.08 0.79 3.45 4.11 -1.26 0.24 117.16 119.16 3d12 n TYR 205 Ca -0.03 0.17 0.05 0.00 -0.00 0.00 0.00 57.90 58.09 3d12 n TYR 205 Cb 0.36 -0.60 0.28 0.00 -0.00 0.00 0.00 39.34 39.38 3d12 n TYR 205 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3d12 n THR 206 N -4.04 0.00 -3.69 -3.48 -2.24 -1.12 -2.73 114.28 96.98 3d12 n THR 206 Ca 0.03 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 3d12 n THR 206 Cb 0.10 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.54 3d12 n THR 206 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3d12 n LEU 207 N -0.88 2.74 -4.64 3.22 7.94 0.66 -4.42 117.00 121.63 3d12 n LEU 207 Ca 0.07 -5.17 -0.47 0.00 -1.11 0.00 0.00 56.01 49.33 3d12 n LEU 207 Cb 0.03 -0.54 -0.04 0.00 0.53 0.00 0.00 43.42 43.41 3d12 n LEU 207 CO 0.05 1.86 0.96 -0.81 -1.11 0.00 0.00 177.39 178.34 3d12 n PRO 208 N 1.73 1.72 -3.48 1.96 -0.04 -1.11 -4.99 135.00 130.80 3d12 n PRO 208 Ca 0.24 0.62 -0.16 0.00 -0.04 0.00 0.00 63.50 64.15 3d12 n PRO 208 Cb 0.39 -2.25 -0.12 0.00 -0.04 0.00 0.00 33.50 31.48 3d12 n PRO 208 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d12 s VAL 209 N 0.16 -0.39 0.61 0.52 -7.23 -1.26 -5.13 120.40 107.67 3d12 s VAL 209 Ca 0.73 -0.08 0.05 0.00 -1.81 0.00 0.00 61.98 60.88 3d12 s VAL 209 Cb -0.74 -0.69 0.09 0.00 0.56 0.00 0.00 36.38 35.60 3d12 s VAL 209 CO 0.48 -0.16 0.84 -0.69 -0.31 0.00 0.00 175.10 175.25 3d12 s VAL 210 N 2.38 2.26 0.00 1.32 1.01 -1.26 -5.11 120.40 121.00 3d12 s VAL 210 Ca 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3d12 s VAL 210 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3d12 s VAL 210 CO -0.13 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.58 3d12 n GLY 211 N -2.41 2.91 3.63 4.51 0.00 -1.26 -5.09 105.19 107.47 3d12 n GLY 211 Ca 0.14 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3d12 n GLY 211 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d12 s GLN 212 N -0.71 0.47 0.87 1.61 1.11 -1.26 -4.79 119.66 116.95 3d12 s GLN 212 Ca 0.00 1.08 -0.14 0.00 0.01 0.00 0.00 55.36 56.31 3d12 s GLN 212 Cb 0.00 -1.70 -0.00 0.00 -1.01 0.00 0.00 33.01 30.30 3d12 s GLN 212 CO 0.00 -2.86 0.38 0.43 0.01 0.00 0.00 175.29 173.26 3d12 n SER 213 N -4.34 -1.97 -0.90 5.90 7.64 -1.26 -1.99 113.62 116.70 3d12 n SER 213 Ca 0.07 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.26 3d12 n SER 213 Cb 0.54 -1.18 -0.05 0.00 -1.01 0.00 0.00 64.21 62.50 3d12 n SER 213 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d12 n GLY 214 N 1.67 1.18 3.83 0.23 0.00 -1.04 -4.96 105.19 106.10 3d12 n GLY 214 Ca 0.07 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3d12 n GLY 214 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d12 s THR 215 N -2.14 5.20 -0.13 2.61 2.01 -0.84 -2.09 115.64 120.26 3d12 s THR 215 Ca 0.00 0.63 0.01 0.00 0.31 0.00 0.00 61.69 62.64 3d12 s THR 215 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.91 3d12 s THR 215 CO 0.00 0.56 -0.13 0.00 -0.69 0.00 0.00 174.62 174.35 3d12 s ILE 217 N 1.38 4.91 0.00 0.00 1.01 0.05 0.52 121.20 129.07 3d12 s ILE 217 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3d12 s ILE 217 Cb -0.13 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3d12 s ILE 217 CO -0.08 0.02 0.00 0.35 0.00 0.00 0.00 174.94 175.23 3d12 n THR 218 N 5.04 0.00 -3.99 2.92 -2.24 -0.31 -4.17 114.28 111.52 3d12 n THR 218 Ca -0.13 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 3d12 n THR 218 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 3d12 n THR 218 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3d12 n ASP 219 N 0.00 -2.04 -4.79 3.42 2.03 -1.26 0.34 116.55 114.25 3d12 n ASP 219 Ca 0.00 -1.13 -0.34 0.00 0.52 0.00 0.00 54.79 53.84 3d12 n ASP 219 Cb 0.00 -2.53 -0.02 0.00 -0.72 0.00 0.00 41.12 37.85 3d12 n ASP 219 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3d12 s PRO 220 N -6.78 3.58 -0.09 -0.67 0.02 -1.26 -4.25 135.00 125.55 3d12 s PRO 220 Ca 0.22 1.39 -0.04 0.00 0.02 0.00 0.00 61.00 62.59 3d12 s PRO 220 Cb -0.10 -2.06 0.05 0.00 0.02 0.00 0.00 34.50 32.41 3d12 s PRO 220 CO 0.92 -0.62 0.20 -1.17 -0.33 0.00 0.00 177.00 176.00 3d12 s LEU 221 N -3.79 0.36 -0.03 -5.54 0.20 -0.13 -4.95 118.68 104.80 3d12 s LEU 221 Ca 0.68 0.42 0.03 0.00 0.69 0.00 0.00 54.13 55.94 3d12 s LEU 221 Cb -0.18 0.51 0.00 0.00 -0.43 0.00 0.00 46.19 46.10 3d12 s LEU 221 CO 0.25 -0.18 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.80 3d12 s LEU 222 N 1.54 1.80 0.04 -0.68 2.96 -1.26 -1.41 118.68 121.66 3d12 s LEU 222 Ca -0.06 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3d12 s LEU 222 Cb -0.11 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 3d12 s LEU 222 CO -0.07 0.08 -0.04 0.00 -1.32 0.00 0.00 176.35 175.00 3d12 s ALA 223 N 0.20 0.40 -0.00 5.97 0.00 -0.61 -4.75 121.76 122.97 3d12 s ALA 223 Ca -0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3d12 s ALA 223 Cb -0.10 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 3d12 s ALA 223 CO 0.01 -0.18 0.08 -1.64 0.00 0.00 0.00 175.76 174.03 3d12 s MET 224 N -2.26 0.36 -0.30 0.00 -1.94 -1.26 -1.31 119.30 112.59 3d12 s MET 224 Ca -0.07 -0.34 -0.15 0.00 -1.71 0.00 0.00 55.69 53.42 3d12 s MET 224 Cb -0.05 0.14 0.15 0.00 2.01 0.00 0.00 34.83 37.09 3d12 s MET 224 CO -0.03 -0.07 0.95 0.34 -0.01 0.00 0.00 175.02 176.20 3d12 s ASP 225 N -1.09 -0.60 -1.59 3.03 -1.08 -0.12 -4.98 116.67 110.23 3d12 s ASP 225 Ca -0.12 0.87 -0.04 0.00 -0.52 0.00 0.00 52.55 52.74 3d12 s ASP 225 Cb -0.07 1.52 0.01 0.00 -1.46 0.00 0.00 42.92 42.92 3d12 s ASP 225 CO 0.01 -0.13 0.51 -0.62 0.52 0.00 0.00 175.17 175.45 3d12 n GLU 226 N 4.51 -4.35 -1.21 4.34 1.02 -1.26 -1.74 120.64 121.95 3d12 n GLU 226 Ca -0.13 0.92 -0.00 0.00 -0.02 0.00 0.00 57.16 57.93 3d12 n GLU 226 Cb 0.54 -5.75 -0.00 0.00 -0.02 0.00 0.00 31.44 26.21 3d12 n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d12 n GLY 227 N -1.44 0.39 3.20 0.62 0.00 -1.25 -4.93 105.19 101.78 3d12 n GLY 227 Ca -0.13 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 3d12 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d12 s TYR 228 N -2.01 1.24 0.08 1.61 2.02 -0.71 -0.84 117.35 118.74 3d12 s TYR 228 Ca 0.00 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 3d12 s TYR 228 Cb 0.00 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.86 3d12 s TYR 228 CO 0.00 0.07 -0.14 -0.59 -1.57 0.00 0.00 175.55 173.33 3d12 s PHE 229 N -1.91 1.22 0.16 2.71 -0.12 -0.32 -0.95 117.98 118.78 3d12 s PHE 229 Ca 0.04 -0.50 0.06 0.00 -0.05 0.00 0.00 56.93 56.47 3d12 s PHE 229 Cb -0.06 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 3d12 s PHE 229 CO 0.02 0.06 0.08 0.00 -0.05 0.00 0.00 175.22 175.34 3d12 s ALA 230 N -1.57 3.44 -0.02 1.99 0.00 -0.43 -1.97 121.76 123.20 3d12 s ALA 230 Ca 0.01 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.59 3d12 s ALA 230 Cb -0.08 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.81 3d12 s ALA 230 CO 0.02 0.53 0.30 -0.47 0.00 0.00 0.00 175.76 176.14 3d12 s TYR 231 N -1.69 -0.18 -0.20 0.00 5.04 1.00 -1.58 117.35 119.74 3d12 s TYR 231 Ca 0.29 0.29 -0.26 0.00 -2.44 0.00 0.00 57.07 54.96 3d12 s TYR 231 Cb -0.10 0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.37 3d12 s TYR 231 CO 0.21 -0.37 0.68 0.45 -1.34 0.00 0.00 175.55 175.19 3d12 s SER 232 N -1.21 -0.70 0.08 4.32 0.15 -0.50 -1.08 113.70 114.75 3d12 s SER 232 Ca -0.13 1.20 -0.15 0.00 0.70 0.00 0.00 55.95 57.58 3d12 s SER 232 Cb -0.05 1.17 0.03 0.00 -1.71 0.00 0.00 66.02 65.46 3d12 s SER 232 CO 0.04 -0.34 0.34 -1.38 1.20 0.00 0.00 173.24 173.10 3d12 s HIS 233 N -0.07 -0.14 -0.30 3.44 -3.43 -1.00 -0.96 115.29 112.84 3d12 s HIS 233 Ca -0.03 -0.08 -0.07 0.00 -0.80 0.00 0.00 55.06 54.07 3d12 s HIS 233 Cb -0.04 0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.27 3d12 s HIS 233 CO 0.03 -0.59 0.09 -1.17 -2.00 0.00 0.00 174.74 171.10 3d12 s LEU 234 N -2.42 3.88 -0.18 5.38 2.96 0.15 -1.57 118.68 126.88 3d12 s LEU 234 Ca -0.01 -0.67 -0.27 0.00 -0.22 0.00 0.00 54.13 52.97 3d12 s LEU 234 Cb 0.01 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3d12 s LEU 234 CO -0.07 -0.19 0.92 -0.70 -1.32 0.00 0.00 176.35 174.99 3d12 s GLU 235 N 1.52 4.31 0.25 1.98 2.12 0.28 -1.17 118.70 128.00 3d12 s GLU 235 Ca 0.03 1.17 0.10 0.00 0.36 0.00 0.00 54.97 56.63 3d12 s GLU 235 Cb -0.17 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3d12 s GLU 235 CO 0.03 -0.41 -0.05 1.03 -0.54 0.00 0.00 175.26 175.32 3d12 s ARG 236 N 2.42 2.17 -0.24 4.30 0.52 0.18 -0.17 118.95 128.13 3d12 s ARG 236 Ca 0.41 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.21 3d12 s ARG 236 Cb -0.16 -2.11 0.05 0.00 0.52 0.00 0.00 34.95 33.25 3d12 s ARG 236 CO 0.12 0.37 -0.10 0.42 0.02 0.00 0.00 175.30 176.13 3d12 s ILE 237 N -2.22 1.94 -0.02 1.52 1.01 -0.54 -0.89 121.20 121.99 3d12 s ILE 237 Ca 0.30 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3d12 s ILE 237 Cb -0.07 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3d12 s ILE 237 CO 0.18 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3d12 n GLY 238 N 4.54 0.12 3.77 6.18 0.00 -0.89 -1.21 105.19 117.70 3d12 n GLY 238 Ca -0.14 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 3d12 n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d12 s SER 239 N -4.00 4.50 0.28 1.61 1.04 -1.26 -4.53 113.70 111.34 3d12 s SER 239 Ca 0.00 1.78 0.11 0.00 0.48 0.00 0.00 55.95 58.32 3d12 s SER 239 Cb 0.00 -2.49 0.37 0.00 0.10 0.00 0.00 66.02 64.01 3d12 s SER 239 CO 0.00 -2.03 1.61 0.00 0.98 0.00 0.00 173.24 173.80 3d12 h SER 241 N 0.00 0.07 0.00 0.00 0.02 -2.00 -3.41 113.55 108.23 3d12 h SER 241 Ca -0.01 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 3d12 h SER 241 Cb 1.10 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3d12 h SER 241 CO 0.08 0.98 -0.14 0.54 -1.14 0.00 0.00 176.83 177.15 3d12 n ARG 242 N -4.58 5.48 -1.10 3.45 5.12 -1.25 -5.08 116.66 118.71 3d12 n ARG 242 Ca -0.10 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.47 3d12 n ARG 242 Cb 0.49 -0.54 0.08 0.00 -1.16 0.00 0.00 32.46 31.33 3d12 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d12 n GLY 243 N 1.13 -2.05 3.66 -0.13 0.00 -0.49 -4.86 105.19 102.44 3d12 n GLY 243 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3d12 n GLY 243 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d12 s VAL 244 N -2.07 4.37 -0.22 1.61 1.01 -0.35 -4.66 120.40 120.10 3d12 s VAL 244 Ca 0.60 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.93 3d12 s VAL 244 Cb -0.30 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 3d12 s VAL 244 CO 0.64 -0.14 2.17 -1.20 0.00 0.00 0.00 175.10 176.57 3d12 n SER 245 N 6.45 3.07 -0.04 3.32 7.64 -1.26 -1.46 113.62 131.33 3d12 n SER 245 Ca 0.13 0.36 -0.22 0.00 1.01 0.00 0.00 58.87 60.15 3d12 n SER 245 Cb 0.45 -1.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.05 3d12 n SER 245 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3d12 n LYS 246 N 8.38 0.68 -3.53 1.43 4.81 0.76 -4.84 118.16 125.85 3d12 n LYS 246 Ca 0.31 0.36 -0.15 0.00 -0.87 0.00 0.00 58.31 57.96 3d12 n LYS 246 Cb 0.38 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.68 3d12 n LYS 246 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3d12 s GLN 247 N -2.49 1.07 -0.24 1.64 -2.07 -1.15 -4.86 119.66 111.56 3d12 s GLN 247 Ca -0.26 -0.05 -0.05 0.00 -1.82 0.00 0.00 55.36 53.18 3d12 s GLN 247 Cb 0.07 0.50 -0.01 0.00 -1.09 0.00 0.00 33.01 32.48 3d12 s GLN 247 CO 0.69 -0.38 -0.01 0.50 -1.32 0.00 0.00 175.29 174.78 3d12 s ARG 248 N -2.05 3.33 -0.08 9.60 6.06 -1.26 -0.55 118.95 133.99 3d12 s ARG 248 Ca -0.07 -0.67 -0.17 0.00 -2.50 0.00 0.00 55.73 52.32 3d12 s ARG 248 Cb -0.01 -3.12 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 3d12 s ARG 248 CO 0.02 -0.25 0.43 0.42 -2.50 0.00 0.00 175.30 173.42 3d12 s ILE 249 N 1.49 5.14 -0.16 4.11 -1.09 -0.61 -3.93 121.20 126.15 3d12 s ILE 249 Ca 0.05 0.87 -0.03 0.00 -2.23 0.00 0.00 60.65 59.31 3d12 s ILE 249 Cb -0.15 -3.76 0.05 0.00 -1.58 0.00 0.00 42.46 37.02 3d12 s ILE 249 CO -0.01 0.42 0.05 -0.63 -1.23 0.00 0.00 174.94 173.54 3d12 s ILE 250 N 0.01 0.27 0.19 2.92 1.01 -1.04 -2.37 121.20 122.18 3d12 s ILE 250 Ca 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 3d12 s ILE 250 Cb -0.15 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3d12 s ILE 250 CO 0.11 -0.15 0.17 -0.83 0.00 0.00 0.00 174.94 174.24 3d12 s GLY 251 N 1.98 1.12 0.24 6.18 0.00 -0.24 -0.03 107.32 116.57 3d12 s GLY 251 Ca 0.01 -1.45 -0.09 0.00 0.00 0.00 0.00 44.72 43.19 3d12 s GLY 251 CO -0.08 -1.23 0.38 -1.34 0.00 0.00 0.00 173.10 170.83 3d12 s VAL 252 N -4.10 0.00 -0.85 1.40 -7.23 -0.05 -0.00 120.40 109.58 3d12 s VAL 252 Ca 0.31 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3d12 s VAL 252 Cb 0.06 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3d12 s VAL 252 CO 0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 3d12 n GLY 253 N -0.35 -1.11 3.70 2.32 0.00 -0.83 -1.56 105.19 107.35 3d12 n GLY 253 Ca -0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 3d12 n GLY 253 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d12 s GLU 254 N -0.34 2.51 -0.43 1.61 -1.05 0.59 -1.17 118.70 120.41 3d12 s GLU 254 Ca 0.00 -1.14 -0.12 0.00 -0.15 0.00 0.00 54.97 53.56 3d12 s GLU 254 Cb 0.00 -2.37 0.07 0.00 -0.44 0.00 0.00 34.13 31.38 3d12 s GLU 254 CO 0.00 0.43 0.29 0.08 0.95 0.00 0.00 175.26 177.02 3d12 s VAL 255 N -1.91 4.64 0.35 1.83 1.01 -0.02 -0.59 120.40 125.71 3d12 s VAL 255 Ca 0.29 -1.18 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3d12 s VAL 255 Cb -0.09 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3d12 s VAL 255 CO 0.20 -0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.04 3d12 s LEU 256 N 1.52 2.87 -0.23 3.92 1.43 -0.26 -3.46 118.68 124.47 3d12 s LEU 256 Ca 0.03 -1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 51.74 3d12 s LEU 256 Cb -0.23 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3d12 s LEU 256 CO 0.05 -0.26 0.96 -0.62 0.23 0.00 0.00 176.35 176.70 3d12 s ASP 257 N -3.68 7.00 0.00 2.29 -1.08 -1.03 -1.27 116.67 118.89 3d12 s ASP 257 Ca 0.34 1.25 0.00 0.00 -0.52 0.00 0.00 52.55 53.62 3d12 s ASP 257 Cb 0.02 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 3d12 s ASP 257 CO 0.18 -0.61 0.63 -2.11 0.52 0.00 0.00 175.17 173.78 3d12 n ARG 258 N 6.18 0.86 0.00 4.34 1.85 -0.84 -4.78 116.66 124.26 3d12 n ARG 258 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 3d12 n ARG 258 Cb 0.47 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.64 3d12 n ARG 258 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3d12 n GLY 259 N 0.20 3.16 0.07 2.89 0.00 -1.26 -4.82 105.19 105.43 3d12 n GLY 259 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3d12 n GLY 259 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d12 n ASP 260 N 0.05 0.26 -2.94 1.61 2.03 -1.26 -4.85 116.55 111.44 3d12 n ASP 260 Ca 0.00 -0.76 -0.21 0.00 0.52 0.00 0.00 54.79 54.34 3d12 n ASP 260 Cb 0.00 -0.08 0.05 0.00 -0.72 0.00 0.00 41.12 40.36 3d12 n ASP 260 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3d12 n GLU 261 N -0.94 -5.46 -4.54 -0.67 2.13 -1.26 -5.03 120.64 104.86 3d12 n GLU 261 Ca 0.19 0.80 -0.23 0.00 0.66 0.00 0.00 57.16 58.58 3d12 n GLU 261 Cb 0.20 -5.53 -0.16 0.00 0.27 0.00 0.00 31.44 26.23 3d12 n GLU 261 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3d12 s VAL 262 N -3.18 1.02 0.27 6.31 1.01 -1.26 -5.02 120.40 119.55 3d12 s VAL 262 Ca 0.37 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 3d12 s VAL 262 Cb -0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 3d12 s VAL 262 CO 0.46 0.31 1.23 -2.16 0.00 0.00 0.00 175.10 174.94 3d12 s PRO 263 N 0.26 4.46 0.01 2.72 0.04 -1.26 -1.99 135.00 139.23 3d12 s PRO 263 Ca -0.06 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 3d12 s PRO 263 Cb -0.11 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.29 3d12 s PRO 263 CO 0.01 -0.07 0.24 0.45 0.04 0.00 0.00 177.00 177.68 3d12 s SER 264 N -0.35 -0.08 0.22 6.66 0.15 -0.40 -4.90 113.70 114.99 3d12 s SER 264 Ca 0.50 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.92 3d12 s SER 264 Cb -0.36 0.28 -0.07 0.00 -1.71 0.00 0.00 66.02 64.16 3d12 s SER 264 CO 0.44 -0.46 0.59 -0.76 1.20 0.00 0.00 173.24 174.25 3d12 s LEU 265 N -1.54 4.21 -0.20 3.45 1.43 -1.26 -1.10 118.68 123.67 3d12 s LEU 265 Ca -0.12 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.99 3d12 s LEU 265 Cb -0.05 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.64 3d12 s LEU 265 CO 0.01 -0.03 0.14 -0.36 0.23 0.00 0.00 176.35 176.34 3d12 s PHE 266 N -1.72 0.06 0.43 0.29 0.08 0.25 -4.55 117.98 112.82 3d12 s PHE 266 Ca 0.45 -0.25 -0.25 0.00 0.12 0.00 0.00 56.93 57.00 3d12 s PHE 266 Cb -0.13 -0.63 -0.08 0.00 -0.57 0.00 0.00 43.02 41.62 3d12 s PHE 266 CO 0.20 -0.59 1.34 -1.64 -0.10 0.00 0.00 175.22 174.43 3d12 s MET 267 N 2.19 3.81 0.00 0.44 -1.94 -1.26 -0.30 119.30 122.24 3d12 s MET 267 Ca 0.04 2.24 0.00 0.00 -1.71 0.00 0.00 55.69 56.26 3d12 s MET 267 Cb -0.16 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.00 3d12 s MET 267 CO -0.15 -0.65 0.00 0.25 -0.01 0.00 0.00 175.02 174.47 3d12 n THR 268 N -0.08 0.00 -3.58 2.05 -2.24 -0.60 -4.86 114.28 104.97 3d12 n THR 268 Ca 0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 3d12 n THR 268 Cb 0.43 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 3d12 n THR 268 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3d12 s ASN 269 N -0.71 -0.48 0.16 3.42 3.84 -0.99 -4.70 114.94 115.48 3d12 s ASN 269 Ca 0.00 1.03 0.08 0.00 0.21 0.00 0.00 52.86 54.18 3d12 s ASN 269 Cb 0.00 1.60 -0.04 0.00 -0.55 0.00 0.00 41.25 42.26 3d12 s ASN 269 CO 0.00 -0.24 -0.18 0.68 -2.79 0.00 0.00 177.10 174.57 3d12 s VAL 270 N 2.69 1.76 -0.16 -5.21 -7.23 -1.26 -0.87 120.40 110.12 3d12 s VAL 270 Ca 0.01 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 3d12 s VAL 270 Cb -0.13 -1.82 0.08 0.00 0.56 0.00 0.00 36.38 35.07 3d12 s VAL 270 CO -0.15 -0.34 0.27 0.86 -0.31 0.00 0.00 175.10 175.43 3d12 s TRP 271 N -2.10 -0.43 -0.24 2.82 -0.00 0.96 -4.97 118.94 114.97 3d12 s TRP 271 Ca 0.15 0.79 -0.11 0.00 -0.00 0.00 0.00 56.10 56.93 3d12 s TRP 271 Cb -0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 33.47 33.26 3d12 s TRP 271 CO 0.06 -0.45 0.16 0.95 -0.00 0.00 0.00 176.95 177.67 3d12 s THR 272 N 2.41 5.34 0.28 5.86 -4.23 -1.26 -2.49 115.64 121.56 3d12 s THR 272 Ca 0.04 0.18 -0.29 0.00 -1.18 0.00 0.00 61.69 60.43 3d12 s THR 272 Cb -0.13 -3.50 -0.10 0.00 1.34 0.00 0.00 72.50 70.11 3d12 s THR 272 CO -0.10 0.34 1.33 -2.84 -0.54 0.00 0.00 174.62 172.80 3d12 s PRO 273 N 1.12 4.36 0.15 3.99 0.02 -1.25 -4.98 135.00 138.41 3d12 s PRO 273 Ca 0.07 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 62.99 3d12 s PRO 273 Cb -0.14 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 3d12 s PRO 273 CO 0.05 -0.24 1.56 -1.00 -0.33 0.00 0.00 177.00 177.05 3d12 h PRO 274 N 4.23 -0.29 -4.50 5.54 0.13 -1.98 -3.34 132.00 131.78 3d12 h PRO 274 Ca -0.47 0.02 -0.70 0.00 -0.87 0.00 0.00 66.00 63.98 3d12 h PRO 274 Cb 1.22 0.07 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 3d12 h PRO 274 CO 0.71 -0.19 -0.53 1.21 -0.23 0.00 0.00 178.00 178.96 3d12 s ASN 275 N -5.11 5.36 0.64 1.44 2.47 -1.26 -4.97 114.94 113.51 3d12 s ASN 275 Ca -0.14 -1.73 0.29 0.00 0.42 0.00 0.00 52.86 51.69 3d12 s ASN 275 Cb 0.11 -1.88 1.54 0.00 -1.45 0.00 0.00 41.25 39.58 3d12 s ASN 275 CO 0.64 -0.51 1.89 -0.65 -3.72 0.00 0.00 177.10 174.75 3d12 h PRO 276 N 8.19 0.00 0.00 0.43 0.11 -1.89 -1.74 132.00 137.09 3d12 h PRO 276 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3d12 h PRO 276 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d12 h PRO 276 CO 0.70 0.00 -0.06 0.09 -0.21 0.00 0.00 178.00 178.53 3d12 n ASN 277 N -3.13 0.09 0.02 -2.05 3.02 -1.26 -4.09 115.26 107.87 3d12 n ASN 277 Ca 0.01 0.42 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 3d12 n ASN 277 Cb 0.48 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 3d12 n ASN 277 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d12 n THR 278 N -1.54 0.16 -4.13 3.41 -2.24 -0.65 -4.81 114.28 104.47 3d12 n THR 278 Ca 0.07 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 3d12 n THR 278 Cb 0.34 0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 3d12 n THR 278 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d12 s VAL 279 N -3.38 4.82 0.04 2.28 1.01 -1.26 -0.21 120.40 123.69 3d12 s VAL 279 Ca -0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3d12 s VAL 279 Cb 0.13 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 3d12 s VAL 279 CO 0.86 0.58 0.16 -0.31 0.00 0.00 0.00 175.10 176.40 3d12 s TYR 280 N -0.70 0.09 -1.58 5.22 2.02 -0.66 -4.98 117.35 116.77 3d12 s TYR 280 Ca 0.12 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.35 3d12 s TYR 280 Cb -0.12 -0.06 0.11 0.00 -0.40 0.00 0.00 41.96 41.49 3d12 s TYR 280 CO 0.02 -0.40 0.92 0.72 -1.57 0.00 0.00 175.55 175.25 3d12 n HIS 281 N 0.77 -2.14 -1.53 2.71 8.25 -1.26 -0.99 115.22 121.04 3d12 n HIS 281 Ca -0.19 0.88 -0.37 0.00 -0.26 0.00 0.00 57.72 57.77 3d12 n HIS 281 Cb 0.58 -3.69 0.07 0.00 1.12 0.00 0.00 29.99 28.07 3d12 n HIS 281 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d12 s SER 283 N -1.41 -0.03 -0.06 0.00 0.15 -0.34 -4.50 113.70 107.51 3d12 s SER 283 Ca 0.76 0.03 0.02 0.00 0.70 0.00 0.00 55.95 57.45 3d12 s SER 283 Cb -0.39 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 3d12 s SER 283 CO 0.48 -0.15 -0.11 0.00 1.20 0.00 0.00 173.24 174.65 3d12 s ALA 284 N -0.47 1.18 0.00 5.45 0.00 -0.81 -0.16 121.76 126.94 3d12 s ALA 284 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3d12 s ALA 284 Cb -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3d12 s ALA 284 CO 0.00 0.12 -0.03 0.54 0.00 0.00 0.00 175.76 176.39 3d12 s VAL 285 N 0.59 0.23 -0.04 0.00 0.11 -0.77 -1.78 120.40 118.73 3d12 s VAL 285 Ca -0.12 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 58.57 3d12 s VAL 285 Cb -0.15 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 3d12 s VAL 285 CO 0.03 -0.02 0.29 -0.47 -3.33 0.00 0.00 175.10 171.59 3d12 s TYR 286 N -0.29 3.65 0.14 1.54 5.04 -1.26 -0.48 117.35 125.69 3d12 s TYR 286 Ca -0.01 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 3d12 s TYR 286 Cb -0.02 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.18 3d12 s TYR 286 CO -0.00 0.67 0.00 -1.71 -1.34 0.00 0.00 175.55 173.16 3d12 n ASN 287 N 1.70 0.28 -3.15 4.32 5.15 -0.25 -4.44 115.26 118.87 3d12 n ASN 287 Ca -0.15 0.23 -0.21 0.00 -0.60 0.00 0.00 54.58 53.84 3d12 n ASN 287 Cb 0.53 0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 3d12 n ASN 287 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3d12 n ASN 288 N -3.17 -0.67 -0.26 1.20 2.85 -1.26 -4.80 115.26 109.15 3d12 n ASN 288 Ca 0.00 -2.71 -0.03 0.00 -0.11 0.00 0.00 54.58 51.72 3d12 n ASN 288 Cb 0.00 -0.11 -0.01 0.00 1.24 0.00 0.00 39.78 40.90 3d12 n ASN 288 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3d12 n GLU 289 N 1.90 -1.01 -4.05 1.20 -0.58 -1.26 -5.00 120.64 111.84 3d12 n GLU 289 Ca 0.21 0.46 -0.18 0.00 -0.42 0.00 0.00 57.16 57.24 3d12 n GLU 289 Cb 0.53 -4.33 -0.16 0.00 -0.57 0.00 0.00 31.44 26.91 3d12 n GLU 289 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3d12 s PHE 290 N -1.74 0.48 0.03 -0.32 0.08 -1.26 -1.56 117.98 113.69 3d12 s PHE 290 Ca 0.00 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 3d12 s PHE 290 Cb 0.00 -0.47 -0.06 0.00 -0.57 0.00 0.00 43.02 41.92 3d12 s PHE 290 CO 0.00 -0.13 0.39 0.71 -0.10 0.00 0.00 175.22 176.10 3d12 s TYR 291 N 0.77 3.65 -0.25 0.36 1.51 -0.28 -1.09 117.35 122.02 3d12 s TYR 291 Ca -0.09 0.87 0.01 0.00 -1.01 0.00 0.00 57.07 56.85 3d12 s TYR 291 Cb -0.12 -2.21 0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3d12 s TYR 291 CO -0.01 0.59 -0.09 0.71 -1.11 0.00 0.00 175.55 175.64 3d12 s TYR 292 N -1.23 3.14 -0.36 2.71 2.02 0.37 -1.82 117.35 122.18 3d12 s TYR 292 Ca 0.28 -1.94 -0.10 0.00 -0.37 0.00 0.00 57.07 54.94 3d12 s TYR 292 Cb -0.15 -1.99 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3d12 s TYR 292 CO 0.15 -0.82 0.18 0.08 -1.57 0.00 0.00 175.55 173.57 3d12 s VAL 293 N 1.22 4.37 -0.34 0.71 1.01 -0.17 -1.85 120.40 125.35 3d12 s VAL 293 Ca -0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 3d12 s VAL 293 Cb -0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3d12 s VAL 293 CO -0.05 -0.21 0.24 -0.22 0.00 0.00 0.00 175.10 174.85 3d12 s LEU 294 N 1.52 4.50 0.31 3.92 2.96 0.78 -1.24 118.68 131.42 3d12 s LEU 294 Ca 0.01 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.60 3d12 s LEU 294 Cb -0.19 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3d12 s LEU 294 CO 0.06 -0.23 -0.06 0.00 -1.32 0.00 0.00 176.35 174.79 3d12 s ALA 296 N -2.48 3.37 -0.19 0.00 0.00 -0.16 -1.24 121.76 121.06 3d12 s ALA 296 Ca 0.32 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 3d12 s ALA 296 Cb -0.03 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3d12 s ALA 296 CO 0.18 0.32 -0.11 0.08 0.00 0.00 0.00 175.76 176.23 3d12 s VAL 297 N -1.69 2.85 -0.02 0.00 1.01 0.11 -1.65 120.40 121.01 3d12 s VAL 297 Ca 0.47 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3d12 s VAL 297 Cb -0.15 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.00 3d12 s VAL 297 CO 0.20 0.48 0.05 -0.55 0.00 0.00 0.00 175.10 175.28 3d12 s SER 298 N 1.24 -0.02 -0.01 3.32 0.15 0.70 -4.24 113.70 114.84 3d12 s SER 298 Ca 0.03 0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.87 3d12 s SER 298 Cb -0.14 0.05 0.27 0.00 -1.71 0.00 0.00 66.02 64.49 3d12 s SER 298 CO -0.05 -0.07 1.22 0.35 1.20 0.00 0.00 173.24 175.89 3d12 n THR 299 N 3.58 1.09 -1.02 6.45 -2.24 -1.26 -4.21 114.28 116.66 3d12 n THR 299 Ca -0.19 -1.07 0.09 0.00 -2.27 0.00 0.00 64.05 60.61 3d12 n THR 299 Cb 0.56 0.45 0.13 0.00 -2.10 0.00 0.00 70.33 69.36 3d12 n THR 299 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3d12 n VAL 300 N 0.27 1.80 -1.75 2.28 0.24 -1.26 -5.11 118.33 114.79 3d12 n VAL 300 Ca 0.10 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 60.25 3d12 n VAL 300 Cb 0.43 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3d12 n VAL 300 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d12 n GLY 301 N -1.36 -1.76 3.62 7.63 0.00 -1.26 -4.75 105.19 107.31 3d12 n GLY 301 Ca 0.15 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3d12 n GLY 301 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d12 n ASP 302 N 0.08 3.62 0.12 1.61 -0.08 -1.26 -4.77 116.55 115.87 3d12 n ASP 302 Ca 0.00 0.52 0.19 0.00 -1.51 0.00 0.00 54.79 53.99 3d12 n ASP 302 Cb 0.00 -1.53 0.69 0.00 2.34 0.00 0.00 41.12 42.62 3d12 n ASP 302 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3d12 h PRO 303 N 13.00 0.00 -0.06 -0.67 0.11 -1.89 0.23 132.00 142.72 3d12 h PRO 303 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3d12 h PRO 303 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3d12 h PRO 303 CO 0.95 0.00 -0.21 0.82 -0.21 0.00 0.00 178.00 179.36 3d12 h ILE 304 N 0.00 1.44 0.00 4.15 1.08 -1.94 -3.00 117.51 119.23 3d12 h ILE 304 Ca 0.18 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3d12 h ILE 304 Cb 1.27 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 3d12 h ILE 304 CO -0.00 0.45 0.00 -0.07 -0.69 0.00 0.00 178.15 177.84 3d12 h LEU 305 N -0.26 0.00 -5.69 1.44 3.38 -1.34 -3.27 115.31 109.57 3d12 h LEU 305 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3d12 h LEU 305 Cb 0.84 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.18 3d12 h LEU 305 CO 0.04 0.00 -1.03 -3.20 0.09 0.00 0.00 178.44 174.34 3d12 n ASN 306 N -2.76 2.00 0.01 -0.43 2.85 -1.00 -4.99 115.26 110.94 3d12 n ASN 306 Ca 0.03 -3.20 -0.10 0.00 -0.11 0.00 0.00 54.58 51.21 3d12 n ASN 306 Cb 0.41 -0.59 -0.03 0.00 1.24 0.00 0.00 39.78 40.80 3d12 n ASN 306 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3d12 h SER 307 N 2.98 -0.40 0.55 1.20 0.02 -1.58 -2.80 113.55 113.51 3d12 h SER 307 Ca 0.10 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3d12 h SER 307 Cb 0.85 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3d12 h SER 307 CO 0.60 -0.17 0.00 0.71 -1.14 0.00 0.00 176.83 176.83 3d12 h THR 308 N -0.17 0.00 -0.26 -2.27 1.35 -1.93 -2.91 112.91 106.73 3d12 h THR 308 Ca 0.08 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3d12 h THR 308 Cb 0.29 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3d12 h THR 308 CO -0.21 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 173.84 3d12 n TYR 309 N -2.43 0.33 -3.23 4.73 4.02 -1.06 -4.98 117.16 114.54 3d12 n TYR 309 Ca 0.01 -0.25 -0.39 0.00 -0.01 0.00 0.00 57.90 57.26 3d12 n TYR 309 Cb 0.18 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3d12 n TYR 309 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3d12 s TRP 310 N -1.18 3.78 0.50 -0.72 -0.00 -1.10 -4.83 118.94 115.38 3d12 s TRP 310 Ca 0.26 1.28 0.21 0.00 -0.00 0.00 0.00 56.10 57.86 3d12 s TRP 310 Cb 0.16 -2.56 1.28 0.00 -0.00 0.00 0.00 33.47 32.35 3d12 s TRP 310 CO 0.22 0.51 2.01 0.77 -0.00 0.00 0.00 176.95 180.46 3d12 h SER 311 N 4.85 0.11 0.00 5.86 0.02 -1.91 -3.44 113.55 119.03 3d12 h SER 311 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3d12 h SER 311 Cb 1.21 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3d12 h SER 311 CO 0.65 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.02 3d12 n GLY 312 N -1.59 0.63 3.69 -3.77 0.00 -1.26 -5.01 105.19 97.87 3d12 n GLY 312 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3d12 n GLY 312 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d12 s SER 313 N -2.02 6.85 0.45 1.61 0.15 -1.26 -4.77 113.70 114.71 3d12 s SER 313 Ca 0.00 2.10 0.06 0.00 0.70 0.00 0.00 55.95 58.81 3d12 s SER 313 Cb 0.00 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 3d12 s SER 313 CO 0.00 -0.72 0.23 -0.76 1.20 0.00 0.00 173.24 173.18 3d12 s LEU 314 N 2.48 3.00 -0.23 3.45 1.43 -1.26 0.05 118.68 127.60 3d12 s LEU 314 Ca 0.64 -1.13 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 3d12 s LEU 314 Cb -0.31 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3d12 s LEU 314 CO 0.26 -0.68 0.73 -0.32 0.23 0.00 0.00 176.35 176.56 3d12 s MET 315 N -3.99 0.86 -0.11 1.70 -2.45 -0.37 -4.51 119.30 110.43 3d12 s MET 315 Ca 0.37 0.86 0.03 0.00 -1.25 0.00 0.00 55.69 55.71 3d12 s MET 315 Cb 0.02 0.42 0.01 0.00 1.25 0.00 0.00 34.83 36.52 3d12 s MET 315 CO 0.21 -0.14 -0.21 1.41 1.05 0.00 0.00 175.02 177.35 3d12 s MET 316 N 0.11 2.73 0.11 4.11 1.75 -0.56 -0.81 119.30 126.73 3d12 s MET 316 Ca -0.02 -0.76 0.03 0.00 -1.25 0.00 0.00 55.69 53.69 3d12 s MET 316 Cb -0.04 -2.14 -0.04 0.00 2.84 0.00 0.00 34.83 35.45 3d12 s MET 316 CO 0.02 0.08 0.16 0.99 -0.65 0.00 0.00 175.02 175.62 3d12 s THR 317 N 0.59 4.89 -0.27 10.11 2.01 -0.37 -1.04 115.64 131.56 3d12 s THR 317 Ca -0.14 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 3d12 s THR 317 Cb -0.17 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.01 3d12 s THR 317 CO 0.04 0.04 0.09 -0.60 -0.69 0.00 0.00 174.62 173.50 3d12 s ARG 318 N -2.74 0.48 -0.15 4.92 3.52 -0.24 -1.00 118.95 123.75 3d12 s ARG 318 Ca 0.32 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 55.15 3d12 s ARG 318 Cb -0.12 -1.73 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 3d12 s ARG 318 CO 0.25 -0.90 0.17 -0.51 -0.81 0.00 0.00 175.30 173.50 3d12 s LEU 319 N 1.87 4.31 0.16 -0.88 1.43 -0.75 -3.01 118.68 121.79 3d12 s LEU 319 Ca 0.07 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.26 3d12 s LEU 319 Cb -0.17 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.83 3d12 s LEU 319 CO -0.24 0.28 1.36 0.00 0.23 0.00 0.00 176.35 177.99 3d12 s ALA 320 N -0.33 3.57 0.20 4.21 0.00 -0.84 -1.13 121.76 127.44 3d12 s ALA 320 Ca 0.13 1.13 0.13 0.00 0.00 0.00 0.00 51.96 53.35 3d12 s ALA 320 Cb -0.12 -3.52 0.35 0.00 0.00 0.00 0.00 23.12 19.84 3d12 s ALA 320 CO 0.02 -0.59 1.59 -0.39 0.00 0.00 0.00 175.76 176.39 3d12 h VAL 321 N 4.00 1.29 -2.98 0.00 -1.51 -1.65 -3.35 116.25 112.05 3d12 h VAL 321 Ca -0.43 -2.13 -0.62 0.00 -1.23 0.00 0.00 66.70 62.29 3d12 h VAL 321 Cb 1.21 2.19 -0.41 0.00 -2.13 0.00 0.00 31.29 32.16 3d12 h VAL 321 CO 0.82 0.58 -0.66 -0.54 -1.23 0.00 0.00 177.57 176.54 3d12 s LYS 322 N -3.45 2.05 0.15 5.19 1.02 -1.26 -4.64 119.74 118.81 3d12 s LYS 322 Ca -0.00 -2.96 -0.33 0.00 0.02 0.00 0.00 55.97 52.69 3d12 s LYS 322 Cb 0.12 -2.98 -0.16 0.00 -0.52 0.00 0.00 37.83 34.29 3d12 s LYS 322 CO 0.75 -1.28 1.15 -2.30 -0.92 0.00 0.00 175.35 172.75 3d12 n PRO 323 N 2.35 1.04 -3.02 -1.68 -0.02 -1.26 -4.96 135.00 127.45 3d12 n PRO 323 Ca 0.19 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 3d12 n PRO 323 Cb 0.37 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3d12 n PRO 323 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3d12 s LYS 324 N -0.29 4.35 -0.25 -0.52 2.20 -1.26 -4.92 119.74 119.05 3d12 s LYS 324 Ca 0.75 0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 57.24 3d12 s LYS 324 Cb -0.89 -2.88 -0.12 0.00 -1.51 0.00 0.00 37.83 32.42 3d12 s LYS 324 CO 0.52 0.38 1.45 -1.13 -0.36 0.00 0.00 175.35 176.21 3d12 n SER 325 N 0.74 1.42 -1.49 1.43 3.41 -1.26 -4.49 113.62 113.38 3d12 n SER 325 Ca -0.02 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 3d12 n SER 325 Cb 0.51 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3d12 n SER 325 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d12 n ASN 326 N 6.16 -5.46 0.00 4.04 5.03 -1.26 -5.08 115.26 118.68 3d12 n ASN 326 Ca 0.26 0.79 0.00 0.00 0.87 0.00 0.00 54.58 56.50 3d12 n ASN 326 Cb 0.18 -2.96 0.00 0.00 -1.02 0.00 0.00 39.78 35.98 3d12 n ASN 326 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d12 n GLY 327 N 0.88 0.00 0.00 7.41 0.00 -1.26 -5.12 105.19 107.10 3d12 n GLY 327 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d12 n GLY 327 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d12 n GLY 328 N 1.85 0.67 0.00 -0.02 0.00 -1.26 -4.83 105.19 101.61 3d12 n GLY 328 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3d12 n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d12 n GLY 329 N 0.00 3.36 0.00 -0.02 0.00 -1.26 -4.97 105.19 102.30 3d12 n GLY 329 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d12 n GLY 329 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d12 n TYR 330 N -1.93 0.00 -0.20 1.61 9.36 -1.26 -4.06 117.16 120.68 3d12 n TYR 330 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3d12 n TYR 330 Cb 0.00 -0.29 0.06 0.00 -0.63 0.00 0.00 39.34 38.48 3d12 n TYR 330 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3d12 h ASN 331 N 0.00 -0.51 -4.07 2.98 2.35 -1.89 -3.36 115.58 111.08 3d12 h ASN 331 Ca 0.00 0.17 -0.38 0.00 -0.55 0.00 0.00 56.30 55.54 3d12 h ASN 331 Cb 0.00 0.35 -0.28 0.00 0.05 0.00 0.00 38.32 38.44 3d12 h ASN 331 CO 0.00 -0.18 -0.77 -1.10 -1.65 0.00 0.00 177.43 173.72 3d12 s GLN 332 N -6.22 0.69 -0.22 0.81 -0.21 -1.26 -1.98 119.66 111.28 3d12 s GLN 332 Ca -0.14 -0.35 -0.25 0.00 0.02 0.00 0.00 55.36 54.64 3d12 s GLN 332 Cb 0.18 -0.66 0.07 0.00 1.00 0.00 0.00 33.01 33.60 3d12 s GLN 332 CO 0.73 0.18 0.68 -1.58 -2.12 0.00 0.00 175.29 173.18 3d12 s HIS 333 N -0.29 -0.73 0.04 0.91 2.46 -1.17 -4.13 115.29 112.39 3d12 s HIS 333 Ca 0.03 1.70 0.07 0.00 0.47 0.00 0.00 55.06 57.33 3d12 s HIS 333 Cb -0.04 0.28 -0.03 0.00 -0.13 0.00 0.00 32.58 32.66 3d12 s HIS 333 CO -0.00 -0.40 -0.21 -0.65 -2.47 0.00 0.00 174.74 171.01 3d12 s GLN 334 N 0.10 1.41 0.02 2.88 -0.21 -1.26 -1.08 119.66 121.52 3d12 s GLN 334 Ca -0.02 -0.95 0.05 0.00 0.02 0.00 0.00 55.36 54.46 3d12 s GLN 334 Cb -0.04 -1.52 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 3d12 s GLN 334 CO 0.02 0.39 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.92 3d12 s LEU 335 N -1.18 2.10 0.00 2.90 1.02 -0.20 -5.03 118.68 118.29 3d12 s LEU 335 Ca 0.08 -0.38 0.22 0.00 0.02 0.00 0.00 54.13 54.07 3d12 s LEU 335 Cb -0.09 -0.73 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 3d12 s LEU 335 CO 0.02 0.12 1.06 0.00 0.02 0.00 0.00 176.35 177.57 3d12 n ALA 336 N 2.27 3.59 -2.47 4.21 0.00 -1.26 -1.50 120.51 125.34 3d12 n ALA 336 Ca -0.16 -0.64 -0.02 0.00 0.00 0.00 0.00 53.44 52.62 3d12 n ALA 336 Cb 0.55 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3d12 n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d12 n LEU 337 N -0.09 -6.67 -0.03 0.00 7.99 -1.26 -4.54 117.00 112.40 3d12 n LEU 337 Ca 0.09 0.91 -0.00 0.00 -0.01 0.00 0.00 56.01 57.00 3d12 n LEU 337 Cb 0.45 -2.84 -0.00 0.00 -0.11 0.00 0.00 43.42 40.92 3d12 n LEU 337 CO 0.28 -2.31 0.00 0.03 -1.51 0.00 0.00 177.39 173.89 3d12 h ARG 338 N 2.13 -0.00 -5.85 3.23 2.47 -1.95 -3.45 114.38 110.96 3d12 h ARG 338 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 3d12 h ARG 338 Cb 0.23 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.50 3d12 h ARG 338 CO 0.10 -0.00 -0.50 -1.54 0.56 0.00 0.00 179.97 178.59 3d12 s SER 339 N -4.62 6.35 -0.36 7.04 1.04 -1.26 -5.09 113.70 116.81 3d12 s SER 339 Ca -0.00 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.77 3d12 s SER 339 Cb 0.00 -1.98 0.16 0.00 0.10 0.00 0.00 66.02 64.30 3d12 s SER 339 CO 0.00 0.22 0.40 -0.63 0.98 0.00 0.00 173.24 174.21 3d12 s ILE 340 N -1.40 -0.43 -0.38 -1.02 1.01 -1.26 -3.21 121.20 114.50 3d12 s ILE 340 Ca 0.30 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.90 3d12 s ILE 340 Cb -0.13 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 3d12 s ILE 340 CO 0.22 -0.49 2.23 -1.61 0.00 0.00 0.00 174.94 175.30 3d12 s GLU 341 N 1.67 2.65 0.00 2.79 2.02 -0.17 -4.76 118.70 122.90 3d12 s GLU 341 Ca 0.15 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.73 3d12 s GLU 341 Cb -0.14 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.64 3d12 s GLU 341 CO -0.09 -2.65 0.85 0.36 0.02 0.00 0.00 175.26 173.75 3d12 n LYS 342 N 8.88 2.12 0.00 1.61 2.85 -1.26 -1.17 118.16 131.19 3d12 n LYS 342 Ca 0.31 -1.21 0.00 0.00 -1.05 0.00 0.00 58.31 56.36 3d12 n LYS 342 Cb 0.50 -0.86 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 3d12 n LYS 342 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d12 n GLY 343 N -0.36 3.10 0.19 2.58 0.00 -1.26 -0.92 105.19 108.53 3d12 n GLY 343 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3d12 n GLY 343 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d12 n ARG 344 N 14.00 1.25 -3.37 1.61 1.74 -1.26 -4.82 116.66 125.81 3d12 n ARG 344 Ca 0.00 -0.38 -0.38 0.00 -0.77 0.00 0.00 57.85 56.32 3d12 n ARG 344 Cb 0.00 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.00 3d12 n ARG 344 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3d12 s TYR 345 N -1.95 3.45 0.04 -1.55 2.02 -0.10 -4.74 117.35 114.53 3d12 s TYR 345 Ca 0.33 0.75 -0.20 0.00 -0.37 0.00 0.00 57.07 57.58 3d12 s TYR 345 Cb 0.16 -2.52 -0.11 0.00 -0.40 0.00 0.00 41.96 39.10 3d12 s TYR 345 CO 0.26 0.10 1.31 0.22 -1.57 0.00 0.00 175.55 175.87 3d12 h ASP 346 N 6.97 -0.68 -2.06 2.29 -0.00 -0.99 -3.46 116.42 118.48 3d12 h ASP 346 Ca -0.39 0.04 -0.60 0.00 -0.00 0.00 0.00 57.03 56.08 3d12 h ASP 346 Cb 1.17 0.20 -0.13 0.00 -0.00 0.00 0.00 39.33 40.57 3d12 h ASP 346 CO 0.74 -0.42 -0.69 -0.54 -0.00 0.00 0.00 179.24 178.33 3d12 s LYS 347 N -4.59 1.87 -0.15 0.28 1.02 -1.20 -5.00 119.74 111.96 3d12 s LYS 347 Ca -0.10 -1.78 -0.10 0.00 0.02 0.00 0.00 55.97 54.00 3d12 s LYS 347 Cb 0.02 -1.82 0.05 0.00 -0.52 0.00 0.00 37.83 35.55 3d12 s LYS 347 CO 0.33 0.23 0.39 0.08 -0.92 0.00 0.00 175.35 175.45 3d12 s VAL 348 N -2.52 -0.02 0.09 3.17 1.01 -1.26 -0.60 120.40 120.26 3d12 s VAL 348 Ca 0.32 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3d12 s VAL 348 Cb -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.85 3d12 s VAL 348 CO 0.17 0.03 0.49 0.00 0.00 0.00 0.00 175.10 175.78 3d12 s MET 349 N 0.94 1.07 0.24 2.72 0.23 -0.85 -4.90 119.30 118.75 3d12 s MET 349 Ca -0.06 -0.42 -0.30 0.00 -1.03 0.00 0.00 55.69 53.87 3d12 s MET 349 Cb -0.06 0.48 -0.10 0.00 -1.53 0.00 0.00 34.83 33.61 3d12 s MET 349 CO -0.07 -0.41 1.52 -1.25 -2.03 0.00 0.00 175.02 172.78 3d12 s PRO 350 N -3.05 4.21 -0.43 3.16 0.04 -1.26 -0.51 135.00 137.16 3d12 s PRO 350 Ca -0.02 2.40 0.05 0.00 0.04 0.00 0.00 61.00 63.47 3d12 s PRO 350 Cb 0.00 -3.09 0.17 0.00 0.04 0.00 0.00 34.50 31.62 3d12 s PRO 350 CO -0.07 -0.53 0.41 -0.47 0.04 0.00 0.00 177.00 176.39 3d12 s TYR 351 N 0.29 0.54 0.00 0.56 5.04 -0.46 -4.77 117.35 118.55 3d12 s TYR 351 Ca 0.63 -1.96 0.00 0.00 -2.44 0.00 0.00 57.07 53.30 3d12 s TYR 351 Cb -0.44 -0.67 0.00 0.00 0.35 0.00 0.00 41.96 41.20 3d12 s TYR 351 CO 0.41 -0.92 0.00 0.41 -1.34 0.00 0.00 175.55 174.12 3d12 n GLY 352 N 2.89 4.06 0.12 8.97 0.00 -1.26 -1.30 105.19 118.67 3d12 n GLY 352 Ca 0.27 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 3d12 n GLY 352 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d12 h PRO 353 N 0.00 -0.02 -3.12 1.61 0.11 -1.79 -3.37 132.00 125.42 3d12 h PRO 353 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3d12 h PRO 353 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.99 3d12 h PRO 353 CO 0.00 -0.01 0.10 -1.54 -0.21 0.00 0.00 178.00 176.33 3d12 s SER 354 N -5.19 -0.44 0.00 -2.05 1.04 -1.26 -1.93 113.70 103.87 3d12 s SER 354 Ca -0.14 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3d12 s SER 354 Cb 0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3d12 s SER 354 CO 0.68 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3d12 n GLY 355 N -0.27 5.83 3.30 7.32 0.00 -0.74 -3.12 105.19 117.52 3d12 n GLY 355 Ca -0.17 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 3d12 n GLY 355 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d12 s ILE 356 N 0.38 1.16 0.04 -0.61 -4.36 -0.88 -4.72 121.20 112.21 3d12 s ILE 356 Ca 0.00 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3d12 s ILE 356 Cb 0.00 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 3d12 s ILE 356 CO 0.00 -0.51 0.09 -1.59 0.24 0.00 0.00 174.94 173.17 3d12 s LYS 357 N -3.80 3.00 -0.48 0.37 -2.85 -1.26 -0.43 119.74 114.28 3d12 s LYS 357 Ca 0.23 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.65 3d12 s LYS 357 Cb 0.04 -2.80 0.14 0.00 -2.06 0.00 0.00 37.83 33.14 3d12 s LYS 357 CO 0.06 0.61 0.27 -1.14 0.10 0.00 0.00 175.35 175.24 3d12 s GLN 358 N -2.08 1.58 2.93 1.78 2.00 0.17 -4.95 119.66 121.09 3d12 s GLN 358 Ca 0.27 -2.30 0.00 0.00 -2.00 0.00 0.00 55.36 51.33 3d12 s GLN 358 Cb -0.12 -2.70 0.00 0.00 0.80 0.00 0.00 33.01 30.99 3d12 s GLN 358 CO 0.18 -1.16 0.00 0.41 -0.50 0.00 0.00 175.29 174.22 3d12 n GLY 359 N 3.28 1.30 0.08 2.59 0.00 -1.26 -2.17 105.19 109.00 3d12 n GLY 359 Ca 0.09 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.42 3d12 n GLY 359 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d12 n ASP 360 N 5.95 1.78 -4.54 1.61 8.00 -1.26 -5.01 116.55 123.08 3d12 n ASP 360 Ca 0.00 -2.37 -0.34 0.00 0.71 0.00 0.00 54.79 52.79 3d12 n ASP 360 Cb 0.00 -0.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 3d12 n ASP 360 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d12 s THR 361 N -1.60 4.22 -0.11 -3.53 2.01 -0.92 -1.69 115.64 114.02 3d12 s THR 361 Ca 0.13 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 3d12 s THR 361 Cb 0.12 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 3d12 s THR 361 CO 0.01 0.47 0.24 -0.76 -0.69 0.00 0.00 174.62 173.89 3d12 s LEU 362 N 0.48 4.35 -0.22 4.42 1.43 0.02 0.45 118.68 129.61 3d12 s LEU 362 Ca -0.01 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3d12 s LEU 362 Cb -0.14 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.86 3d12 s LEU 362 CO 0.02 0.29 -0.14 -0.31 0.23 0.00 0.00 176.35 176.44 3d12 s TYR 363 N -0.53 3.01 -0.12 0.29 1.51 0.42 -0.35 117.35 121.58 3d12 s TYR 363 Ca 0.17 -1.90 -0.06 0.00 -1.01 0.00 0.00 57.07 54.27 3d12 s TYR 363 Cb -0.13 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 3d12 s TYR 363 CO 0.05 -0.83 0.09 -0.06 -1.11 0.00 0.00 175.55 173.70 3d12 s PHE 364 N 1.22 3.41 0.31 2.71 0.08 -0.29 -2.08 117.98 123.34 3d12 s PHE 364 Ca -0.01 0.36 -0.29 0.00 0.12 0.00 0.00 56.93 57.11 3d12 s PHE 364 Cb -0.16 -1.92 -0.13 0.00 -0.57 0.00 0.00 43.02 40.24 3d12 s PHE 364 CO -0.09 0.56 1.30 -2.30 -0.10 0.00 0.00 175.22 174.59 3d12 n PRO 365 N 2.32 2.05 -2.74 0.24 -0.02 -1.26 -0.16 135.00 135.43 3d12 n PRO 365 Ca -0.19 0.72 -0.07 0.00 -2.02 0.00 0.00 63.50 61.95 3d12 n PRO 365 Cb 0.54 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3d12 n PRO 365 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d12 n ALA 366 N 0.76 -0.50 -3.39 3.55 0.00 0.55 -1.35 120.51 120.13 3d12 n ALA 366 Ca 0.07 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 3d12 n ALA 366 Cb 0.35 0.65 -0.10 0.00 0.00 0.00 0.00 19.45 20.35 3d12 n ALA 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d12 s VAL 367 N -2.59 -0.01 -0.12 0.00 0.11 0.33 -1.15 120.40 116.97 3d12 s VAL 367 Ca 0.13 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 3d12 s VAL 367 Cb -0.01 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3d12 s VAL 367 CO 0.09 0.01 0.07 -0.83 -3.33 0.00 0.00 175.10 171.11 3d12 s GLY 368 N 0.47 1.99 -0.44 6.54 0.00 0.38 -2.01 107.32 114.25 3d12 s GLY 368 Ca -0.02 -0.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.82 3d12 s GLY 368 CO -0.02 -0.34 0.36 -1.36 0.00 0.00 0.00 173.10 171.74 3d12 s PHE 369 N -0.63 3.23 -0.18 1.90 0.08 0.23 -1.77 117.98 120.83 3d12 s PHE 369 Ca 0.11 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 3d12 s PHE 369 Cb -0.12 -2.87 -0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3d12 s PHE 369 CO 0.02 -0.70 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.17 3d12 s LEU 370 N 1.75 2.68 -0.19 -0.37 2.96 -0.88 -0.39 118.68 124.24 3d12 s LEU 370 Ca 0.06 -0.42 -0.40 0.00 -0.22 0.00 0.00 54.13 53.14 3d12 s LEU 370 Cb -0.21 -1.64 -0.17 0.00 0.50 0.00 0.00 46.19 44.67 3d12 s LEU 370 CO 0.09 0.05 1.56 0.52 -1.32 0.00 0.00 176.35 177.25 3d12 n VAL 371 N 4.33 0.16 -0.34 1.68 0.31 -1.26 -0.54 118.33 122.66 3d12 n VAL 371 Ca -0.19 -0.03 0.17 0.00 -0.01 0.00 0.00 64.34 64.28 3d12 n VAL 371 Cb 0.51 -0.91 0.37 0.00 -0.91 0.00 0.00 33.84 32.90 3d12 n VAL 371 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3d12 h ARG 372 N 5.83 0.56 -0.74 5.55 2.43 -0.73 0.55 114.38 127.83 3d12 h ARG 372 Ca -0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3d12 h ARG 372 Cb 1.34 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 3d12 h ARG 372 CO 0.89 0.37 0.48 1.79 -1.51 0.00 0.00 179.97 181.98 3d12 h THR 373 N 0.57 1.19 -0.03 0.20 1.35 -1.87 -1.74 112.91 112.59 3d12 h THR 373 Ca 0.63 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 3d12 h THR 373 Cb 1.18 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3d12 h THR 373 CO -0.48 0.19 0.00 -0.62 -0.25 0.00 0.00 175.52 174.37 3d12 n GLU 374 N -4.41 1.37 -2.10 4.72 1.02 0.17 -4.82 120.64 116.57 3d12 n GLU 374 Ca 0.08 -0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 56.26 3d12 n GLU 374 Cb 0.04 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 3d12 n GLU 374 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3d12 s PHE 375 N -1.97 2.71 -0.42 -0.32 5.36 -0.66 -4.98 117.98 117.70 3d12 s PHE 375 Ca 0.39 0.63 -0.09 0.00 -0.96 0.00 0.00 56.93 56.91 3d12 s PHE 375 Cb 0.20 -3.78 0.08 0.00 -0.34 0.00 0.00 43.02 39.18 3d12 s PHE 375 CO 0.32 -2.99 0.26 -1.59 -1.46 0.00 0.00 175.22 169.76 3d12 s LYS 376 N 2.41 2.56 -0.12 10.12 0.00 -1.26 -5.05 119.74 128.40 3d12 s LYS 376 Ca 0.68 -1.51 -0.05 0.00 0.00 0.00 0.00 55.97 55.08 3d12 s LYS 376 Cb -0.35 -3.78 0.05 0.00 0.00 0.00 0.00 37.83 33.75 3d12 s LYS 376 CO 0.29 -0.99 0.26 -0.47 0.00 0.00 0.00 175.35 174.44 3d12 s TYR 377 N 1.40 -0.37 -0.66 1.78 5.04 -1.26 -5.10 117.35 118.18 3d12 s TYR 377 Ca 0.03 0.87 -0.27 0.00 -2.44 0.00 0.00 57.07 55.27 3d12 s TYR 377 Cb -0.23 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.13 3d12 s TYR 377 CO 0.01 -0.28 1.20 1.21 -1.34 0.00 0.00 175.55 176.35 3d12 s ASN 378 N 1.69 6.29 0.66 4.32 3.84 -1.26 -4.89 114.94 125.59 3d12 s ASN 378 Ca -0.05 -0.26 0.21 0.00 0.21 0.00 0.00 52.86 52.96 3d12 s ASN 378 Cb -0.11 -2.54 1.11 0.00 -0.55 0.00 0.00 41.25 39.17 3d12 s ASN 378 CO -0.09 -1.63 1.63 0.44 -2.79 0.00 0.00 177.10 174.65 3d12 h ASP 379 N 9.76 0.00 0.77 -4.21 3.32 -1.99 0.26 116.42 124.33 3d12 h ASP 379 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3d12 h ASP 379 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3d12 h ASP 379 CO 1.22 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 177.20 3d12 n SER 380 N -2.83 0.00 0.00 6.45 3.41 -1.26 -2.53 113.62 116.86 3d12 n SER 380 Ca -0.00 0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.95 3d12 n SER 380 Cb 0.61 -0.40 0.75 0.00 -0.26 0.00 0.00 64.21 64.91 3d12 n SER 380 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d12 n ASN 381 N -1.40 0.00 -4.69 4.04 4.13 0.91 -4.79 115.26 113.47 3d12 n ASN 381 Ca 0.10 -0.34 -0.42 0.00 1.68 0.00 0.00 54.58 55.60 3d12 n ASN 381 Cb 0.28 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.29 3d12 n ASN 381 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d12 n PRO 383 N 5.07 2.03 0.11 0.00 -0.02 -1.26 -4.65 135.00 136.28 3d12 n PRO 383 Ca 0.10 -1.91 0.13 0.00 -2.02 0.00 0.00 63.50 59.80 3d12 n PRO 383 Cb 0.47 -2.86 0.38 0.00 -0.02 0.00 0.00 33.50 31.46 3d12 n PRO 383 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3d12 h ILE 384 N 4.04 0.00 0.00 4.25 5.03 -1.91 -3.41 117.51 125.52 3d12 h ILE 384 Ca 0.50 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 3d12 h ILE 384 Cb 0.51 1.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.81 3d12 h ILE 384 CO 1.81 0.00 0.57 0.71 -0.68 0.00 0.00 178.15 180.57 3d12 h THR 385 N 0.00 0.00 0.00 -0.27 1.35 -1.96 1.16 112.91 113.19 3d12 h THR 385 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.76 3d12 h THR 385 Cb 0.76 0.21 -0.22 0.00 -1.73 0.00 0.00 68.15 67.17 3d12 h THR 385 CO 0.00 0.00 -0.81 0.29 -0.25 0.00 0.00 175.52 174.75 3d12 n LYS 386 N -2.19 0.67 -3.54 4.72 4.76 -1.26 -5.02 118.16 116.30 3d12 n LYS 386 Ca -0.01 -2.55 -0.28 0.00 -2.87 0.00 0.00 58.31 52.60 3d12 n LYS 386 Cb 0.59 -0.68 -0.12 0.00 -1.84 0.00 0.00 35.03 32.98 3d12 n LYS 386 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d12 s GLN 388 N 0.28 3.63 0.00 0.00 -2.07 -1.26 -2.50 119.66 117.75 3d12 s GLN 388 Ca 0.24 2.22 0.00 0.00 -1.82 0.00 0.00 55.36 56.00 3d12 s GLN 388 Cb -0.12 -2.55 0.00 0.00 -1.09 0.00 0.00 33.01 29.25 3d12 s GLN 388 CO -0.09 -0.79 0.00 0.66 -1.32 0.00 0.00 175.29 173.75 3d12 n TYR 389 N -0.35 0.00 -2.68 9.60 0.53 -1.26 -5.02 117.16 117.98 3d12 n TYR 389 Ca 0.06 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.52 3d12 n TYR 389 Cb 0.44 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.72 3d12 n TYR 389 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3d12 s SER 390 N 0.58 7.26 -0.01 7.72 0.01 -1.04 -5.05 113.70 123.16 3d12 s SER 390 Ca 0.00 1.56 0.00 0.00 1.31 0.00 0.00 55.95 58.82 3d12 s SER 390 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 3d12 s SER 390 CO 0.00 -0.43 0.04 -0.54 0.41 0.00 0.00 173.24 172.72 3d12 s LYS 391 N 1.87 2.94 0.55 12.44 1.02 -1.26 -4.91 119.74 132.39 3d12 s LYS 391 Ca 0.49 -0.53 0.39 0.00 0.02 0.00 0.00 55.97 56.35 3d12 s LYS 391 Cb -0.19 -2.77 1.58 0.00 -0.52 0.00 0.00 37.83 35.92 3d12 s LYS 391 CO 0.20 0.65 1.74 -1.00 -0.92 0.00 0.00 175.35 176.01 3d12 h PRO 392 N 4.33 0.00 0.00 -1.68 0.13 -1.92 0.15 132.00 133.02 3d12 h PRO 392 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3d12 h PRO 392 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3d12 h PRO 392 CO 0.59 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 3d12 h GLU 393 N 0.00 0.00 -0.45 0.86 4.11 -1.95 -3.37 114.58 113.78 3d12 h GLU 393 Ca 0.64 0.00 0.05 0.00 0.07 0.00 0.00 59.36 60.12 3d12 h GLU 393 Cb 2.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.80 3d12 h GLU 393 CO -0.01 0.00 0.18 -0.91 0.07 0.00 0.00 179.01 178.35 3d12 h ASN 394 N 0.00 0.22 -0.53 3.06 4.21 -1.02 -2.62 115.58 118.90 3d12 h ASN 394 Ca 0.00 0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.59 3d12 h ASN 394 Cb 0.37 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.54 3d12 h ASN 394 CO 0.00 0.16 0.30 0.00 -1.29 0.00 0.00 177.43 176.60 3d12 h ARG 396 N 0.59 0.39 -0.33 0.00 2.43 -1.80 -2.93 114.38 112.74 3d12 h ARG 396 Ca 0.22 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3d12 h ARG 396 Cb 0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3d12 h ARG 396 CO -0.12 0.51 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.75 3d12 h LEU 397 N 0.21 0.49 -0.31 3.80 3.38 -1.24 -2.25 115.31 119.39 3d12 h LEU 397 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d12 h LEU 397 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3d12 h LEU 397 CO 0.00 0.58 0.00 -1.20 0.09 0.00 0.00 178.44 177.91 3d12 n SER 398 N -4.26 0.32 -0.66 -0.43 7.64 -0.20 -3.24 113.62 112.78 3d12 n SER 398 Ca 0.01 -2.00 0.13 0.00 1.01 0.00 0.00 58.87 58.02 3d12 n SER 398 Cb 0.26 -0.14 0.32 0.00 -1.01 0.00 0.00 64.21 63.64 3d12 n SER 398 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3d12 n MET 399 N -0.34 1.86 -4.29 1.43 2.81 -0.85 -4.04 117.12 113.69 3d12 n MET 399 Ca 0.00 -1.32 -0.16 0.00 -1.81 0.00 0.00 57.70 54.41 3d12 n MET 399 Cb 0.08 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.01 3d12 n MET 399 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3d12 s GLY 400 N -2.05 1.48 0.48 3.03 0.00 -1.20 -0.56 107.32 108.49 3d12 s GLY 400 Ca 0.32 -1.73 0.21 0.00 0.00 0.00 0.00 44.72 43.53 3d12 s GLY 400 CO 0.34 -1.60 2.01 0.16 0.00 0.00 0.00 173.10 174.02 3d12 h ILE 401 N 2.53 0.84 -3.71 0.90 3.07 -1.87 -3.42 117.51 115.85 3d12 h ILE 401 Ca -0.38 -0.66 -0.29 0.00 1.55 0.00 0.00 64.86 65.08 3d12 h ILE 401 Cb 1.22 1.39 -0.17 0.00 -0.27 0.00 0.00 36.82 38.99 3d12 h ILE 401 CO 0.63 0.17 -0.72 -0.13 -1.05 0.00 0.00 178.15 177.05 3d12 s ARG 402 N -4.33 0.86 0.41 0.16 0.52 -1.26 -4.71 118.95 110.59 3d12 s ARG 402 Ca -0.03 -1.23 0.08 0.00 -0.52 0.00 0.00 55.73 54.02 3d12 s ARG 402 Cb 0.14 -0.44 0.87 0.00 0.52 0.00 0.00 34.95 36.04 3d12 s ARG 402 CO 0.64 0.05 2.04 -1.35 0.02 0.00 0.00 175.30 176.70 3d12 h PRO 403 N 3.32 0.54 -0.01 3.54 0.11 -1.82 -1.84 132.00 135.84 3d12 h PRO 403 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3d12 h PRO 403 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d12 h PRO 403 CO 0.57 0.36 -0.21 0.09 -0.21 0.00 0.00 178.00 178.60 3d12 n ASN 404 N -4.47 1.50 -4.51 -2.05 4.13 -1.26 -4.92 115.26 103.67 3d12 n ASN 404 Ca 0.05 -1.25 -0.38 0.00 1.68 0.00 0.00 54.58 54.68 3d12 n ASN 404 Cb 0.12 0.15 0.04 0.00 -1.54 0.00 0.00 39.78 38.55 3d12 n ASN 404 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3d12 n SER 405 N -0.16 -0.45 -0.07 6.41 3.41 -0.69 -4.92 113.62 117.14 3d12 n SER 405 Ca 0.13 0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 59.37 3d12 n SER 405 Cb 0.39 -1.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.05 3d12 n SER 405 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3d12 h HIS 406 N 0.35 0.87 -1.70 7.33 2.76 -1.94 -3.44 115.15 119.38 3d12 h HIS 406 Ca -0.46 -0.30 -0.49 0.00 -2.20 0.00 0.00 60.37 56.91 3d12 h HIS 406 Cb 1.39 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 30.15 3d12 h HIS 406 CO 0.33 1.07 -0.42 0.71 -1.30 0.00 0.00 177.93 178.33 3d12 s TYR 407 N -4.14 2.81 0.17 5.26 1.51 -1.26 -0.03 117.35 121.68 3d12 s TYR 407 Ca -0.12 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.64 3d12 s TYR 407 Cb 0.08 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 3d12 s TYR 407 CO 0.84 0.05 -0.13 0.96 -1.11 0.00 0.00 175.55 176.16 3d12 s ILE 408 N -2.38 3.01 -0.17 2.71 -5.25 0.30 -4.55 121.20 114.87 3d12 s ILE 408 Ca 0.44 -1.70 -0.07 0.00 -0.99 0.00 0.00 60.65 58.33 3d12 s ILE 408 Cb -0.05 -2.47 -0.04 0.00 2.95 0.00 0.00 42.46 42.85 3d12 s ILE 408 CO 0.27 -0.09 0.05 -0.76 -1.79 0.00 0.00 174.94 172.63 3d12 s LEU 409 N -2.72 3.79 -0.24 0.37 1.43 0.27 -2.07 118.68 119.52 3d12 s LEU 409 Ca 0.23 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3d12 s LEU 409 Cb -0.09 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.25 3d12 s LEU 409 CO 0.14 0.21 -0.07 -0.60 0.23 0.00 0.00 176.35 176.26 3d12 s ARG 410 N 0.14 1.77 0.72 1.70 6.06 -0.73 -0.85 118.95 127.75 3d12 s ARG 410 Ca 0.04 -1.06 -0.16 0.00 -2.50 0.00 0.00 55.73 52.06 3d12 s ARG 410 Cb -0.12 -2.65 0.03 0.00 0.06 0.00 0.00 34.95 32.27 3d12 s ARG 410 CO 0.01 -0.59 1.24 -1.12 -2.50 0.00 0.00 175.30 172.34 3d12 s SER 411 N 1.33 4.20 0.00 -2.12 0.01 -1.26 -0.47 113.70 115.40 3d12 s SER 411 Ca -0.06 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.65 3d12 s SER 411 Cb -0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3d12 s SER 411 CO -0.06 -2.26 0.00 0.61 0.41 0.00 0.00 173.24 171.94 3d12 n GLY 412 N 0.61 1.19 3.42 3.44 0.00 -0.30 -0.99 105.19 112.55 3d12 n GLY 412 Ca 0.14 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 3d12 n GLY 412 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d12 s LEU 413 N 0.00 2.42 -0.28 0.99 1.43 0.50 -0.33 118.68 123.40 3d12 s LEU 413 Ca 0.00 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 3d12 s LEU 413 Cb 0.00 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.98 3d12 s LEU 413 CO 0.00 0.16 0.04 -0.76 0.23 0.00 0.00 176.35 176.02 3d12 s LEU 414 N -2.28 3.67 0.07 1.79 1.43 0.77 0.27 118.68 124.40 3d12 s LEU 414 Ca 0.17 -0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 52.28 3d12 s LEU 414 Cb -0.09 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 3d12 s LEU 414 CO 0.08 -0.18 0.67 -0.75 0.23 0.00 0.00 176.35 176.40 3d12 s LYS 415 N 1.45 4.38 -0.24 1.70 2.20 0.11 -1.14 119.74 128.19 3d12 s LYS 415 Ca 0.02 0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 56.50 3d12 s LYS 415 Cb -0.17 -3.30 0.08 0.00 -1.51 0.00 0.00 37.83 32.93 3d12 s LYS 415 CO 0.00 0.48 0.09 -0.47 -0.36 0.00 0.00 175.35 175.10 3d12 s TYR 416 N -0.68 0.77 -0.42 4.03 5.04 0.52 -0.81 117.35 125.81 3d12 s TYR 416 Ca 0.33 -0.93 -0.24 0.00 -2.44 0.00 0.00 57.07 53.78 3d12 s TYR 416 Cb -0.20 -1.06 0.02 0.00 0.35 0.00 0.00 41.96 41.07 3d12 s TYR 416 CO 0.21 -0.72 0.85 1.21 -1.34 0.00 0.00 175.55 175.77 3d12 s ASN 417 N 1.94 6.52 0.37 4.32 3.84 -1.26 -0.80 114.94 129.88 3d12 s ASN 417 Ca 0.05 0.21 0.27 0.00 0.21 0.00 0.00 52.86 53.60 3d12 s ASN 417 Cb -0.17 -2.42 1.13 0.00 -0.55 0.00 0.00 41.25 39.24 3d12 s ASN 417 CO -0.21 -0.90 1.82 -0.07 -2.79 0.00 0.00 177.10 174.95 3d12 h LEU 418 N 10.15 0.00 -2.37 3.21 3.38 -1.70 -2.64 115.31 125.36 3d12 h LEU 418 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3d12 h LEU 418 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3d12 h LEU 418 CO 0.97 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.96 3d12 n SER 419 N -2.56 3.39 -1.29 -0.43 3.41 -1.26 -4.46 113.62 110.42 3d12 n SER 419 Ca 0.02 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.64 3d12 n SER 419 Cb 0.26 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 3d12 n SER 419 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3d12 n ASP 420 N 1.38 4.02 0.00 4.04 2.03 -0.99 -4.95 116.55 122.07 3d12 n ASP 420 Ca 0.18 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.20 3d12 n ASP 420 Cb 0.58 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 3d12 n ASP 420 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d12 n GLY 421 N 0.71 -3.07 0.30 0.27 0.00 -1.26 -3.88 105.19 98.25 3d12 n GLY 421 Ca 0.05 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 3d12 n GLY 421 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d12 h GLU 422 N 0.00 1.04 -3.38 1.61 3.07 -1.92 -3.32 114.58 111.68 3d12 h GLU 422 Ca 0.00 -0.33 -0.72 0.00 -0.50 0.00 0.00 59.36 57.81 3d12 h GLU 422 Cb 0.00 -0.09 -0.34 0.00 -0.84 0.00 0.00 28.75 27.47 3d12 h GLU 422 CO 0.00 1.03 -0.06 -0.80 -1.40 0.00 0.00 179.01 177.78 3d12 s ASN 423 N -6.54 6.07 0.31 1.42 0.02 -1.26 -5.08 114.94 109.88 3d12 s ASN 423 Ca -0.12 -3.59 -0.26 0.00 -1.02 0.00 0.00 52.86 47.88 3d12 s ASN 423 Cb 0.13 -1.94 -0.10 0.00 0.02 0.00 0.00 41.25 39.36 3d12 s ASN 423 CO 0.85 -0.22 0.93 -2.84 0.02 0.00 0.00 177.10 175.83 3d12 s PRO 424 N -1.16 4.56 0.30 -0.60 0.02 -1.25 -4.99 135.00 131.87 3d12 s PRO 424 Ca 0.26 1.29 -0.20 0.00 0.02 0.00 0.00 61.00 62.37 3d12 s PRO 424 Cb -0.09 -2.81 -0.09 0.00 0.02 0.00 0.00 34.50 31.53 3d12 s PRO 424 CO -0.11 0.29 0.81 -1.59 -0.33 0.00 0.00 177.00 176.07 3d12 s LYS 425 N -2.05 4.26 0.00 5.54 -2.85 -1.26 -4.87 119.74 118.51 3d12 s LYS 425 Ca 0.50 0.96 -0.16 0.00 -1.00 0.00 0.00 55.97 56.26 3d12 s LYS 425 Cb -0.18 -2.65 -0.06 0.00 -2.06 0.00 0.00 37.83 32.88 3d12 s LYS 425 CO 0.23 0.25 0.46 0.14 0.10 0.00 0.00 175.35 176.53 3d12 s VAL 426 N -1.75 4.97 -0.13 1.79 -7.23 -1.20 -4.04 120.40 112.81 3d12 s VAL 426 Ca 0.50 0.95 0.02 0.00 -1.81 0.00 0.00 61.98 61.64 3d12 s VAL 426 Cb -0.14 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.04 3d12 s VAL 426 CO 0.20 0.54 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.66 3d12 s VAL 427 N -0.87 1.74 0.09 1.32 1.01 0.01 -1.00 120.40 122.70 3d12 s VAL 427 Ca 0.25 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3d12 s VAL 427 Cb -0.17 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3d12 s VAL 427 CO 0.14 0.49 0.99 0.12 0.00 0.00 0.00 175.10 176.84 3d12 s PHE 428 N 0.96 3.74 -0.24 5.22 5.36 -0.31 0.05 117.98 132.76 3d12 s PHE 428 Ca -0.06 1.74 0.02 0.00 -0.96 0.00 0.00 56.93 57.67 3d12 s PHE 428 Cb -0.15 -3.11 0.05 0.00 -0.34 0.00 0.00 43.02 39.48 3d12 s PHE 428 CO -0.03 0.02 -0.11 0.42 -1.46 0.00 0.00 175.22 174.06 3d12 s ILE 429 N 0.23 1.97 0.58 3.12 1.01 0.14 -4.88 121.20 123.38 3d12 s ILE 429 Ca 0.49 -1.39 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 3d12 s ILE 429 Cb -0.24 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3d12 s ILE 429 CO 0.30 0.06 1.14 -1.83 0.00 0.00 0.00 174.94 174.61 3d12 s GLU 430 N 1.22 3.15 0.53 2.79 -1.05 -1.26 -0.37 118.70 123.71 3d12 s GLU 430 Ca -0.06 1.61 -0.17 0.00 -0.15 0.00 0.00 54.97 56.20 3d12 s GLU 430 Cb -0.18 -1.98 -0.07 0.00 -0.44 0.00 0.00 34.13 31.46 3d12 s GLU 430 CO -0.07 -1.01 1.02 -1.50 0.95 0.00 0.00 175.26 174.66 3d12 s ILE 431 N -1.86 4.08 0.86 1.83 2.07 -0.17 -4.16 121.20 123.86 3d12 s ILE 431 Ca 0.72 1.08 -0.12 0.00 -1.41 0.00 0.00 60.65 60.92 3d12 s ILE 431 Cb -0.24 -3.52 0.09 0.00 0.13 0.00 0.00 42.46 38.91 3d12 s ILE 431 CO 0.31 -0.49 1.00 -0.24 -1.91 0.00 0.00 174.94 173.61 3d12 n SER 432 N -1.55 0.11 -1.17 4.50 2.88 -0.14 -4.91 113.62 113.34 3d12 n SER 432 Ca 0.08 0.49 -0.02 0.00 -1.33 0.00 0.00 58.87 58.09 3d12 n SER 432 Cb 0.53 -1.43 0.12 0.00 -0.75 0.00 0.00 64.21 62.68 3d12 n SER 432 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3d12 n ASP 433 N -3.03 2.92 -4.71 -3.46 5.75 -1.26 -4.85 116.55 107.91 3d12 n ASP 433 Ca 0.12 -2.42 -0.42 0.00 -0.01 0.00 0.00 54.79 52.05 3d12 n ASP 433 Cb 0.51 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.98 3d12 n ASP 433 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3d12 s GLN 434 N -1.46 4.55 -0.68 0.11 -1.52 -1.26 -4.28 119.66 115.12 3d12 s GLN 434 Ca 0.20 1.38 -0.10 0.00 -1.95 0.00 0.00 55.36 54.89 3d12 s GLN 434 Cb 0.16 -3.46 0.02 0.00 -0.22 0.00 0.00 33.01 29.51 3d12 s GLN 434 CO 0.05 -0.04 0.58 -2.13 -0.25 0.00 0.00 175.29 173.50 3d12 n ARG 435 N 3.87 -1.55 -3.39 2.91 0.63 -1.26 -4.82 116.66 113.05 3d12 n ARG 435 Ca 0.05 0.87 -0.41 0.00 -0.92 0.00 0.00 57.85 57.45 3d12 n ARG 435 Cb 0.51 -2.02 -0.09 0.00 0.45 0.00 0.00 32.46 31.31 3d12 n ARG 435 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3d12 s LEU 436 N -4.12 4.40 0.34 6.15 2.96 -1.26 -5.07 118.68 122.07 3d12 s LEU 436 Ca 0.10 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 3d12 s LEU 436 Cb -0.01 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 3d12 s LEU 436 CO 0.84 -0.34 0.34 -0.44 -1.32 0.00 0.00 176.35 175.44 3d12 s SER 437 N 1.73 5.48 0.31 3.68 0.01 -1.26 -5.05 113.70 118.60 3d12 s SER 437 Ca 0.12 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 3d12 s SER 437 Cb -0.16 -1.04 -0.12 0.00 0.21 0.00 0.00 66.02 64.90 3d12 s SER 437 CO 0.12 -0.38 1.44 0.00 0.41 0.00 0.00 173.24 174.83 3d12 n ILE 438 N -1.45 1.51 -1.62 1.44 3.06 -1.26 -4.75 119.36 116.29 3d12 n ILE 438 Ca -0.01 -0.38 -0.58 0.00 -2.50 0.00 0.00 62.75 59.28 3d12 n ILE 438 Cb 0.59 -1.74 -0.08 0.00 0.54 0.00 0.00 39.64 38.96 3d12 n ILE 438 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3d12 n GLY 439 N 1.37 0.30 3.30 4.50 0.00 -0.03 -4.77 105.19 109.86 3d12 n GLY 439 Ca 0.06 0.82 -0.16 0.00 0.00 0.00 0.00 46.02 46.75 3d12 n GLY 439 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d12 s SER 440 N 1.48 1.25 0.21 1.61 1.04 -1.26 -4.83 113.70 113.19 3d12 s SER 440 Ca 0.93 -1.33 -0.32 0.00 0.48 0.00 0.00 55.95 55.71 3d12 s SER 440 Cb -1.17 0.14 -0.11 0.00 0.10 0.00 0.00 66.02 64.98 3d12 s SER 440 CO 0.60 -0.68 1.67 -2.84 0.98 0.00 0.00 173.24 172.97 3d12 s PRO 441 N -4.00 4.15 0.19 4.02 0.02 -1.26 -4.74 135.00 133.38 3d12 s PRO 441 Ca 0.35 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.92 3d12 s PRO 441 Cb 0.07 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 3d12 s PRO 441 CO 0.11 -0.70 0.06 -1.12 -0.33 0.00 0.00 177.00 175.02 3d12 s SER 442 N 1.08 0.83 -0.01 2.53 0.01 -0.42 -1.95 113.70 115.78 3d12 s SER 442 Ca 0.72 -1.27 0.03 0.00 1.31 0.00 0.00 55.95 56.73 3d12 s SER 442 Cb -0.48 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 3d12 s SER 442 CO 0.34 -0.69 -0.08 -0.75 0.41 0.00 0.00 173.24 172.46 3d12 s LYS 443 N -4.02 0.69 -0.10 12.44 2.20 0.75 -3.72 119.74 127.99 3d12 s LYS 443 Ca 0.30 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 3d12 s LYS 443 Cb 0.07 -0.66 0.01 0.00 -1.51 0.00 0.00 37.83 35.74 3d12 s LYS 443 CO 0.07 0.18 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.58 3d12 s ILE 444 N -0.18 1.52 0.06 5.43 2.07 -1.18 0.53 121.20 129.45 3d12 s ILE 444 Ca 0.03 -0.68 -0.10 0.00 -1.41 0.00 0.00 60.65 58.49 3d12 s ILE 444 Cb -0.03 -1.37 0.01 0.00 0.13 0.00 0.00 42.46 41.19 3d12 s ILE 444 CO -0.00 0.44 0.22 -0.72 -1.91 0.00 0.00 174.94 172.97 3d12 s TYR 445 N 0.78 0.04 -0.26 3.50 -0.85 -0.11 -3.76 117.35 116.68 3d12 s TYR 445 Ca -0.11 -0.29 -0.19 0.00 -0.52 0.00 0.00 57.07 55.96 3d12 s TYR 445 Cb -0.16 0.00 -0.02 0.00 0.38 0.00 0.00 41.96 42.16 3d12 s TYR 445 CO 0.02 -0.48 0.56 -0.51 -1.52 0.00 0.00 175.55 173.62 3d12 s ASP 446 N -2.30 6.49 -0.13 -0.18 1.01 -1.26 0.44 116.67 120.74 3d12 s ASP 446 Ca -0.02 0.57 0.01 0.00 0.71 0.00 0.00 52.55 53.82 3d12 s ASP 446 Cb 0.01 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.65 3d12 s ASP 446 CO -0.06 -0.34 -0.16 -0.55 0.21 0.00 0.00 175.17 174.28 3d12 s SER 447 N 1.53 2.60 -1.42 0.27 0.15 -1.06 -4.81 113.70 110.98 3d12 s SER 447 Ca 0.23 -0.47 -0.09 0.00 0.70 0.00 0.00 55.95 56.32 3d12 s SER 447 Cb -0.16 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 3d12 s SER 447 CO 0.09 -0.00 1.06 0.18 1.20 0.00 0.00 173.24 175.77 3d12 n LEU 448 N 4.38 -3.15 0.00 3.45 4.77 0.22 -2.94 117.00 123.72 3d12 n LEU 448 Ca -0.18 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3d12 n LEU 448 Cb 0.51 -2.96 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 3d12 n LEU 448 CO 0.23 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3d12 n GLY 449 N -1.89 0.70 3.47 -0.72 0.00 -1.26 -4.75 105.19 100.74 3d12 n GLY 449 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3d12 n GLY 449 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d12 s GLN 450 N -0.45 0.63 0.28 1.61 0.74 -1.15 -5.15 119.66 116.17 3d12 s GLN 450 Ca 0.00 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 56.00 3d12 s GLN 450 Cb 0.00 0.22 -0.10 0.00 1.10 0.00 0.00 33.01 34.23 3d12 s GLN 450 CO 0.00 -0.11 1.43 -2.14 -0.55 0.00 0.00 175.29 173.92 3d12 s PRO 451 N 0.79 4.26 0.29 1.67 0.02 -1.26 -2.56 135.00 138.20 3d12 s PRO 451 Ca -0.04 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.40 3d12 s PRO 451 Cb -0.05 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 3d12 s PRO 451 CO -0.06 -0.41 0.12 0.08 -0.33 0.00 0.00 177.00 176.41 3d12 s VAL 452 N -0.31 3.57 -0.04 3.83 1.01 0.17 -0.76 120.40 127.87 3d12 s VAL 452 Ca 0.57 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 3d12 s VAL 452 Cb -0.42 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 32.92 3d12 s VAL 452 CO 0.47 -0.29 0.01 0.12 0.00 0.00 0.00 175.10 175.42 3d12 s PHE 453 N -2.31 0.33 -0.05 5.22 5.36 -0.89 -0.93 117.98 124.71 3d12 s PHE 453 Ca 0.35 0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.34 3d12 s PHE 453 Cb -0.05 -0.51 -0.03 0.00 -0.34 0.00 0.00 43.02 42.08 3d12 s PHE 453 CO 0.23 -0.19 -0.03 -0.47 -1.46 0.00 0.00 175.22 173.30 3d12 s TYR 454 N 1.48 3.03 -0.12 10.12 5.04 0.19 -2.61 117.35 134.47 3d12 s TYR 454 Ca -0.03 0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3d12 s TYR 454 Cb -0.13 -1.71 0.03 0.00 0.35 0.00 0.00 41.96 40.50 3d12 s TYR 454 CO -0.03 0.41 -0.05 -1.14 -1.34 0.00 0.00 175.55 173.40 3d12 s GLN 455 N -1.07 1.32 0.64 4.97 0.74 -0.18 -0.18 119.66 125.91 3d12 s GLN 455 Ca 0.15 -0.28 -0.17 0.00 0.05 0.00 0.00 55.36 55.11 3d12 s GLN 455 Cb -0.11 -1.63 -0.05 0.00 1.10 0.00 0.00 33.01 32.32 3d12 s GLN 455 CO 0.04 -0.34 0.70 0.00 -0.55 0.00 0.00 175.29 175.15 3d12 n ALA 456 N 4.96 -0.75 -3.31 1.58 0.00 -0.82 -4.25 120.51 117.92 3d12 n ALA 456 Ca -0.11 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 3d12 n ALA 456 Cb 0.49 -1.95 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 3d12 n ALA 456 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d12 s SER 457 N -1.33 5.89 -0.15 0.00 0.01 -1.26 -4.69 113.70 112.17 3d12 s SER 457 Ca 0.71 -1.69 0.16 0.00 1.31 0.00 0.00 55.95 56.43 3d12 s SER 457 Cb -0.40 -2.09 0.47 0.00 0.21 0.00 0.00 66.02 64.22 3d12 s SER 457 CO 0.52 -0.70 1.37 0.49 0.41 0.00 0.00 173.24 175.34 3d12 n PHE 458 N 5.05 0.78 0.00 2.43 3.01 -1.26 -4.45 117.46 123.03 3d12 n PHE 458 Ca -0.11 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.52 3d12 n PHE 458 Cb 0.41 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3d12 n PHE 458 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3d12 n SER 459 N -0.46 1.82 0.24 4.37 3.41 -1.24 -1.25 113.62 120.51 3d12 n SER 459 Ca 0.19 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 3d12 n SER 459 Cb 0.80 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.29 3d12 n SER 459 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d12 h TRP 460 N 0.00 0.00 -2.02 7.33 5.08 -1.84 -3.37 115.95 121.13 3d12 h TRP 460 Ca 0.00 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.26 3d12 h TRP 460 Cb 0.00 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.00 3d12 h TRP 460 CO 0.00 0.15 1.32 0.34 -1.28 0.00 0.00 178.44 178.97 3d12 s ASP 461 N -6.05 6.89 0.00 0.11 -1.08 -1.26 -3.97 116.67 111.31 3d12 s ASP 461 Ca 0.01 -2.58 0.24 0.00 -0.52 0.00 0.00 52.55 49.70 3d12 s ASP 461 Cb 0.10 -2.43 0.31 0.00 -1.46 0.00 0.00 42.92 39.44 3d12 s ASP 461 CO 0.61 -0.93 1.28 0.35 0.52 0.00 0.00 175.17 177.00 3d12 n THR 462 N 5.20 0.00 -2.65 1.71 -2.24 -1.11 -4.75 114.28 110.44 3d12 n THR 462 Ca 0.34 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.70 3d12 n THR 462 Cb 0.45 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 3d12 n THR 462 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3d12 s MET 463 N -2.80 4.22 0.06 -0.78 -1.94 -1.26 -3.52 119.30 113.28 3d12 s MET 463 Ca 0.15 1.38 -0.37 0.00 -1.71 0.00 0.00 55.69 55.14 3d12 s MET 463 Cb 0.18 -2.48 -0.17 0.00 2.01 0.00 0.00 34.83 34.37 3d12 s MET 463 CO 0.68 -0.06 1.38 1.51 -0.01 0.00 0.00 175.02 178.51 3d12 n ILE 464 N -0.14 0.03 -3.65 2.53 3.06 0.48 -4.95 119.36 116.72 3d12 n ILE 464 Ca 0.05 -0.00 -0.39 0.00 -2.50 0.00 0.00 62.75 59.91 3d12 n ILE 464 Cb 0.51 -0.86 -0.09 0.00 0.54 0.00 0.00 39.64 39.73 3d12 n ILE 464 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3d12 s LYS 465 N 0.74 2.37 0.16 9.51 1.02 -1.26 -4.71 119.74 127.57 3d12 s LYS 465 Ca 0.86 -1.93 -0.01 0.00 0.02 0.00 0.00 55.97 54.90 3d12 s LYS 465 Cb -0.96 -3.80 0.01 0.00 -0.52 0.00 0.00 37.83 32.55 3d12 s LYS 465 CO 0.48 -1.15 0.23 1.97 -0.92 0.00 0.00 175.35 175.96 3d12 n PHE 466 N 4.55 -0.94 0.00 3.18 -0.00 -1.26 -1.01 117.46 121.98 3d12 n PHE 466 Ca -0.03 -1.04 0.00 0.00 -0.00 0.00 0.00 57.45 56.38 3d12 n PHE 466 Cb 0.41 0.26 0.00 0.00 -0.00 0.00 0.00 39.48 40.15 3d12 n PHE 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3d12 n GLY 467 N -0.26 3.87 3.58 4.97 0.00 -1.07 -0.09 105.19 116.19 3d12 n GLY 467 Ca 0.00 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3d12 n GLY 467 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d12 n ASP 468 N 0.00 0.79 -4.57 1.61 8.00 -1.24 -2.10 116.55 119.03 3d12 n ASP 468 Ca 0.00 0.99 -0.42 0.00 0.71 0.00 0.00 54.79 56.07 3d12 n ASP 468 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 3d12 n ASP 468 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3d12 s VAL 469 N -1.33 4.72 -0.04 2.53 1.01 0.06 -0.57 120.40 126.78 3d12 s VAL 469 Ca 0.64 0.75 -0.22 0.00 0.00 0.00 0.00 61.98 63.15 3d12 s VAL 469 Cb -0.56 -4.23 -0.16 0.00 0.00 0.00 0.00 36.38 31.43 3d12 s VAL 469 CO 0.56 -0.51 0.98 -0.07 0.00 0.00 0.00 175.10 176.07 3d12 h LEU 470 N 9.83 -0.20 -7.90 3.92 4.07 -1.69 -3.45 115.31 119.89 3d12 h LEU 470 Ca -0.25 -0.33 -0.14 0.00 0.08 0.00 0.00 57.88 57.24 3d12 h LEU 470 Cb 1.09 0.05 -0.19 0.00 1.08 0.00 0.00 40.66 42.69 3d12 h LEU 470 CO 0.92 0.31 -0.57 0.28 -1.08 0.00 0.00 178.44 178.29 3d12 s THR 471 N -3.74 0.12 -0.18 0.22 -1.32 -1.22 -5.03 115.64 104.49 3d12 s THR 471 Ca -0.13 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.22 3d12 s THR 471 Cb 0.01 -0.63 -0.09 0.00 -1.51 0.00 0.00 72.50 70.28 3d12 s THR 471 CO 0.51 -0.54 -0.15 0.52 -2.21 0.00 0.00 174.62 172.75 3d12 n VAL 472 N 1.14 1.48 0.10 5.08 0.31 -1.26 -1.61 118.33 123.57 3d12 n VAL 472 Ca -0.21 0.07 -0.03 0.00 -0.01 0.00 0.00 64.34 64.16 3d12 n VAL 472 Cb 0.57 -2.24 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 3d12 n VAL 472 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3d12 h ASN 473 N -1.00 0.00 -3.26 4.52 -0.73 -1.99 -1.23 115.58 111.89 3d12 h ASN 473 Ca -0.17 0.00 -0.68 0.00 1.87 0.00 0.00 56.30 57.32 3d12 h ASN 473 Cb 0.95 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 39.36 3d12 h ASN 473 CO -0.10 0.78 0.07 -2.84 -0.37 0.00 0.00 177.43 174.96 3d12 s PRO 474 N -2.86 3.13 -0.52 6.67 0.02 -1.26 -4.97 135.00 135.21 3d12 s PRO 474 Ca 0.02 -0.86 -0.28 0.00 0.02 0.00 0.00 61.00 59.91 3d12 s PRO 474 Cb 0.09 -4.09 -0.00 0.00 0.02 0.00 0.00 34.50 30.52 3d12 s PRO 474 CO 0.79 -1.22 1.62 -1.17 -0.33 0.00 0.00 177.00 176.68 3d12 s LEU 475 N 2.67 3.40 -0.05 -5.54 2.96 -0.47 -4.49 118.68 117.16 3d12 s LEU 475 Ca 0.16 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 3d12 s LEU 475 Cb -0.19 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.48 3d12 s LEU 475 CO 0.12 -1.88 -0.13 0.54 -1.32 0.00 0.00 176.35 173.68 3d12 s VAL 476 N 7.03 1.16 -0.12 1.68 0.11 -0.63 -0.96 120.40 128.67 3d12 s VAL 476 Ca 0.63 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 3d12 s VAL 476 Cb -0.14 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 3d12 s VAL 476 CO 0.26 0.35 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.52 3d12 s VAL 477 N 0.45 2.58 -1.14 2.04 1.01 -1.26 -1.85 120.40 122.23 3d12 s VAL 477 Ca -0.11 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 3d12 s VAL 477 Cb -0.14 -2.05 0.11 0.00 0.00 0.00 0.00 36.38 34.30 3d12 s VAL 477 CO 0.03 0.54 1.46 0.21 0.00 0.00 0.00 175.10 177.33 3d12 s ASN 478 N 0.46 6.81 -0.07 3.32 3.84 0.27 -4.96 114.94 124.60 3d12 s ASN 478 Ca -0.13 -2.35 -0.31 0.00 0.21 0.00 0.00 52.86 50.29 3d12 s ASN 478 Cb -0.17 -2.48 -0.09 0.00 -0.55 0.00 0.00 41.25 37.96 3d12 s ASN 478 CO 0.05 -1.07 2.02 0.79 -2.79 0.00 0.00 177.10 176.10 3d12 n TRP 479 N 7.21 2.30 -1.56 0.43 7.02 -1.26 -3.64 117.44 127.94 3d12 n TRP 479 Ca 0.37 -0.21 -0.46 0.00 -1.02 0.00 0.00 57.50 56.18 3d12 n TRP 479 Cb 0.47 -2.74 -0.02 0.00 -2.42 0.00 0.00 31.31 26.59 3d12 n TRP 479 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3d12 n ARG 480 N 7.66 1.13 -1.93 -0.99 5.12 0.87 -4.86 116.66 123.66 3d12 n ARG 480 Ca 0.24 0.40 -0.37 0.00 -1.93 0.00 0.00 57.85 56.19 3d12 n ARG 480 Cb 0.38 -1.74 -0.01 0.00 -1.16 0.00 0.00 32.46 29.93 3d12 n ARG 480 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d12 n ASN 481 N 1.45 7.58 -4.77 0.55 3.02 -1.26 -4.80 115.26 117.03 3d12 n ASN 481 Ca 0.12 -3.24 -0.38 0.00 -0.03 0.00 0.00 54.58 51.05 3d12 n ASN 481 Cb 0.30 -1.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.16 3d12 n ASN 481 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3d12 s ASN 482 N 0.15 6.33 0.00 6.41 3.84 -1.26 -4.80 114.94 125.61 3d12 s ASN 482 Ca 0.54 2.39 0.16 0.00 0.21 0.00 0.00 52.86 56.17 3d12 s ASN 482 Cb 0.24 -2.61 0.27 0.00 -0.55 0.00 0.00 41.25 38.60 3d12 s ASN 482 CO -0.14 -0.81 1.11 0.35 -2.79 0.00 0.00 177.10 174.81 3d12 n THR 483 N -0.14 0.00 0.00 -5.21 -2.24 0.78 -4.82 114.28 102.65 3d12 n THR 483 Ca 0.05 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3d12 n THR 483 Cb 0.46 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3d12 n THR 483 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3d12 n VAL 484 N 0.32 0.00 -4.48 2.28 0.24 -1.25 -4.93 118.33 110.51 3d12 n VAL 484 Ca 0.04 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.00 3d12 n VAL 484 Cb 0.98 -0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.20 3d12 n VAL 484 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3d12 s ILE 485 N -0.79 3.80 0.00 1.34 -1.09 -1.26 -5.03 121.20 118.17 3d12 s ILE 485 Ca 0.00 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3d12 s ILE 485 Cb 0.00 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.24 3d12 s ILE 485 CO 0.00 0.52 0.00 -0.24 -1.23 0.00 0.00 174.94 173.99 3d12 n SER 486 N 3.25 0.00 -3.96 3.58 2.88 -1.26 -0.38 113.62 117.73 3d12 n SER 486 Ca -0.18 -0.60 -0.08 0.00 -1.33 0.00 0.00 58.87 56.68 3d12 n SER 486 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 3d12 n SER 486 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d12 s ARG 487 N -0.81 0.67 0.19 -1.46 3.03 -1.23 -4.77 118.95 114.58 3d12 s ARG 487 Ca 0.00 -0.97 -0.30 0.00 2.03 0.00 0.00 55.73 56.49 3d12 s ARG 487 Cb 0.00 0.26 -0.09 0.00 -1.03 0.00 0.00 34.95 34.09 3d12 s ARG 487 CO 0.00 -0.17 1.36 -2.14 -1.13 0.00 0.00 175.30 173.22 3d12 s PRO 488 N -3.40 4.34 0.00 3.89 0.02 -1.25 -2.74 135.00 135.86 3d12 s PRO 488 Ca 0.02 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.17 3d12 s PRO 488 Cb 0.04 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3d12 s PRO 488 CO -0.08 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 3d12 n GLY 489 N 2.59 3.48 0.00 0.52 0.00 -0.80 -4.08 105.19 106.89 3d12 n GLY 489 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3d12 n GLY 489 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d12 n GLN 490 N 0.00 3.68 -0.02 1.61 1.13 -1.26 -4.16 117.38 118.37 3d12 n GLN 490 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 3d12 n GLN 490 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 3d12 n GLN 490 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3d12 h SER 491 N 0.00 0.13 0.36 1.08 4.64 -1.96 -3.01 113.55 114.79 3d12 h SER 491 Ca 0.00 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 3d12 h SER 491 Cb 0.00 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3d12 h SER 491 CO 0.00 0.44 -0.20 1.56 -0.87 0.00 0.00 176.83 177.76 3d12 h GLN 492 N -0.19 -0.51 -2.37 4.77 1.08 -1.98 -3.35 115.11 112.56 3d12 h GLN 492 Ca 0.02 0.03 -0.60 0.00 -1.45 0.00 0.00 58.65 56.65 3d12 h GLN 492 Cb 0.39 0.12 -0.41 0.00 -0.05 0.00 0.00 27.48 27.52 3d12 h GLN 492 CO 0.01 -0.34 -0.67 0.00 -0.95 0.00 0.00 178.83 176.88 3d12 n PRO 494 N 1.24 -2.06 -1.69 0.00 -0.02 -1.13 -3.80 135.00 127.53 3d12 n PRO 494 Ca 0.27 -1.76 -0.44 0.00 -2.02 0.00 0.00 63.50 59.54 3d12 n PRO 494 Cb 0.42 -1.38 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 3d12 n PRO 494 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3d12 n ARG 495 N -4.07 2.28 0.00 -0.52 0.63 -0.97 -2.28 116.66 111.72 3d12 n ARG 495 Ca 0.15 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 3d12 n ARG 495 Cb 0.54 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.90 3d12 n ARG 495 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3d12 n PHE 496 N 2.58 0.00 -1.70 -0.14 3.72 -1.26 -4.99 117.46 115.67 3d12 n PHE 496 Ca 0.13 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 3d12 n PHE 496 Cb 0.32 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 3d12 n PHE 496 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3d12 n ASN 497 N 0.00 3.37 0.00 4.37 2.85 -0.96 -4.88 115.26 120.01 3d12 n ASN 497 Ca 0.00 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.60 3d12 n ASN 497 Cb 0.00 -1.51 0.00 0.00 1.24 0.00 0.00 39.78 39.51 3d12 n ASN 497 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3d12 n THR 498 N 2.47 0.00 -2.49 -0.44 -2.24 -1.25 -2.76 114.28 107.57 3d12 n THR 498 Ca 0.12 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 3d12 n THR 498 Cb 0.33 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 3d12 n THR 498 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d12 s PRO 500 N -0.08 2.12 0.33 0.00 0.02 -1.26 -4.80 135.00 131.33 3d12 s PRO 500 Ca 0.51 1.22 0.08 0.00 0.02 0.00 0.00 61.00 62.83 3d12 s PRO 500 Cb -0.29 -4.58 -0.03 0.00 0.02 0.00 0.00 34.50 29.61 3d12 s PRO 500 CO 0.34 -3.31 0.24 -1.21 -0.33 0.00 0.00 177.00 172.73 3d12 s GLU 501 N 8.15 2.62 -0.51 5.54 0.41 -1.26 -4.56 118.70 129.10 3d12 s GLU 501 Ca 0.93 -1.36 -0.17 0.00 -0.41 0.00 0.00 54.97 53.96 3d12 s GLU 501 Cb -0.16 -2.39 0.09 0.00 -1.78 0.00 0.00 34.13 29.90 3d12 s GLU 501 CO 0.24 0.12 0.51 -1.50 -0.49 0.00 0.00 175.26 174.13 3d12 s ILE 502 N -2.33 5.11 0.24 -1.63 2.07 -1.26 -4.37 121.20 119.03 3d12 s ILE 502 Ca 0.39 -1.09 -0.22 0.00 -1.41 0.00 0.00 60.65 58.33 3d12 s ILE 502 Cb -0.05 -4.27 0.03 0.00 0.13 0.00 0.00 42.46 38.31 3d12 s ILE 502 CO 0.25 -0.78 0.77 0.00 -1.91 0.00 0.00 174.94 173.27 3d12 s TRP 504 N -3.77 -0.99 -0.06 0.00 -0.00 -1.26 -4.57 118.94 108.30 3d12 s TRP 504 Ca 0.11 0.35 -0.31 0.00 -0.00 0.00 0.00 56.10 56.25 3d12 s TRP 504 Cb -0.05 -0.15 0.11 0.00 -0.00 0.00 0.00 33.47 33.39 3d12 s TRP 504 CO 0.05 -0.97 1.03 -1.83 -0.00 0.00 0.00 176.95 175.23 3d12 s GLU 505 N 2.54 0.65 0.00 5.86 -1.05 -0.38 -5.00 118.70 121.32 3d12 s GLU 505 Ca 0.10 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 3d12 s GLU 505 Cb -0.13 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 3d12 s GLU 505 CO -0.29 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.04 3d12 n GLY 506 N -0.23 0.85 3.26 -3.83 0.00 -1.26 -3.63 105.19 100.36 3d12 n GLY 506 Ca -0.05 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 3d12 n GLY 506 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d12 s VAL 507 N -1.49 0.52 -0.55 1.61 -7.23 -1.26 -5.01 120.40 107.00 3d12 s VAL 507 Ca 0.00 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 3d12 s VAL 507 Cb 0.00 -2.35 0.14 0.00 0.56 0.00 0.00 36.38 34.73 3d12 s VAL 507 CO 0.00 -0.24 0.44 -0.47 -0.31 0.00 0.00 175.10 174.52 3d12 s TYR 508 N -3.77 3.45 -0.40 2.82 5.04 -1.26 -4.42 117.35 118.80 3d12 s TYR 508 Ca 0.31 -1.90 -0.03 0.00 -2.44 0.00 0.00 57.07 53.02 3d12 s TYR 508 Cb 0.07 -3.56 0.10 0.00 0.35 0.00 0.00 41.96 38.92 3d12 s TYR 508 CO 0.08 -0.98 0.18 -0.80 -1.34 0.00 0.00 175.55 172.69 3d12 s ASN 509 N 2.53 5.22 0.92 4.32 0.01 -1.26 -0.88 114.94 125.79 3d12 s ASN 509 Ca 0.08 -1.95 -0.12 0.00 -0.71 0.00 0.00 52.86 50.16 3d12 s ASN 509 Cb -0.24 -1.82 0.19 0.00 0.41 0.00 0.00 41.25 39.80 3d12 s ASN 509 CO -0.02 -0.51 1.26 1.51 -1.51 0.00 0.00 177.10 177.83 3d12 s ASP 510 N 1.74 3.30 -0.07 -1.22 1.47 -1.06 -4.92 116.67 115.91 3d12 s ASP 510 Ca 0.07 0.05 -0.03 0.00 1.18 0.00 0.00 52.55 53.82 3d12 s ASP 510 Cb -0.22 -0.13 0.04 0.00 -0.34 0.00 0.00 42.92 42.27 3d12 s ASP 510 CO -0.04 -2.60 0.15 0.00 0.68 0.00 0.00 175.17 173.37 3d12 s ALA 511 N -3.73 -0.26 -0.29 2.11 0.00 -1.26 -4.16 121.76 114.17 3d12 s ALA 511 Ca 0.73 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 53.26 3d12 s ALA 511 Cb -0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3d12 s ALA 511 CO 0.51 -0.23 0.16 0.12 0.00 0.00 0.00 175.76 176.33 3d12 s PHE 512 N 1.38 3.18 0.22 0.00 5.36 0.70 -4.87 117.98 123.95 3d12 s PHE 512 Ca -0.07 -0.24 -0.32 0.00 -0.96 0.00 0.00 56.93 55.34 3d12 s PHE 512 Cb -0.12 -2.36 -0.12 0.00 -0.34 0.00 0.00 43.02 40.08 3d12 s PHE 512 CO -0.06 -0.32 1.70 -1.17 -1.46 0.00 0.00 175.22 173.91 3d12 s LEU 513 N 1.68 4.37 0.00 6.12 2.96 -1.26 -0.96 118.68 131.59 3d12 s LEU 513 Ca 0.06 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 3d12 s LEU 513 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3d12 s LEU 513 CO 0.08 -0.96 0.00 2.30 -1.32 0.00 0.00 176.35 176.45 3d12 n ILE 514 N 3.71 0.00 -3.58 6.68 -5.35 0.54 -4.87 119.36 116.49 3d12 n ILE 514 Ca 0.15 -0.07 -0.23 0.00 -0.27 0.00 0.00 62.75 62.32 3d12 n ILE 514 Cb 0.36 0.57 -0.16 0.00 -1.74 0.00 0.00 39.64 38.67 3d12 n ILE 514 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3d12 s ASP 515 N -1.83 1.99 0.05 7.28 2.15 -0.78 -4.97 116.67 120.55 3d12 s ASP 515 Ca 0.00 -0.46 -0.10 0.00 0.43 0.00 0.00 52.55 52.43 3d12 s ASP 515 Cb 0.00 -0.04 -0.32 0.00 -0.30 0.00 0.00 42.92 42.26 3d12 s ASP 515 CO 0.00 -0.34 1.06 -0.09 -0.17 0.00 0.00 175.17 175.64 3d12 h ARG 516 N 8.39 0.40 -0.59 4.34 2.43 -1.94 0.15 114.38 127.55 3d12 h ARG 516 Ca -0.15 -0.68 0.10 0.00 -0.81 0.00 0.00 59.98 58.43 3d12 h ARG 516 Cb 1.15 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 30.88 3d12 h ARG 516 CO 0.28 1.32 0.19 0.82 -1.51 0.00 0.00 179.97 181.07 3d12 h ILE 517 N 0.11 0.74 -0.17 1.20 2.04 -1.99 -2.87 117.51 116.57 3d12 h ILE 517 Ca -0.20 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3d12 h ILE 517 Cb 2.07 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3d12 h ILE 517 CO 0.24 0.06 0.00 0.59 0.00 0.00 0.00 178.15 179.04 3d12 n ASN 518 N -5.04 2.79 -3.84 1.72 5.03 -1.25 -5.02 115.26 109.66 3d12 n ASN 518 Ca 0.08 -1.83 -0.30 0.00 0.87 0.00 0.00 54.58 53.40 3d12 n ASN 518 Cb 0.28 -0.10 0.01 0.00 -1.02 0.00 0.00 39.78 38.94 3d12 n ASN 518 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3d12 n TRP 519 N 1.07 -1.89 -4.48 3.10 7.02 0.37 -4.94 117.44 117.69 3d12 n TRP 519 Ca 0.13 0.60 -0.34 0.00 -1.02 0.00 0.00 57.50 56.87 3d12 n TRP 519 Cb 0.48 -2.88 -0.12 0.00 -2.42 0.00 0.00 31.31 26.37 3d12 n TRP 519 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3d12 s ILE 520 N -3.17 3.76 0.16 -0.99 1.01 -0.34 -4.43 121.20 117.20 3d12 s ILE 520 Ca 0.17 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3d12 s ILE 520 Cb -0.09 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3d12 s ILE 520 CO 0.91 0.51 -0.17 -0.44 0.00 0.00 0.00 174.94 175.75 3d12 s SER 521 N 0.19 2.54 -0.01 3.58 0.01 -0.21 -0.34 113.70 119.47 3d12 s SER 521 Ca -0.03 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 56.43 3d12 s SER 521 Cb -0.14 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 3d12 s SER 521 CO 0.03 -0.08 -0.23 0.00 0.41 0.00 0.00 173.24 173.38 3d12 s ALA 522 N -2.21 1.93 0.32 1.44 0.00 -0.13 -0.80 121.76 122.31 3d12 s ALA 522 Ca 0.16 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 3d12 s ALA 522 Cb -0.05 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.63 3d12 s ALA 522 CO 0.06 0.47 0.74 0.20 0.00 0.00 0.00 175.76 177.23 3d12 s GLY 523 N -0.65 0.13 -0.23 0.00 0.00 -0.74 -0.22 107.32 105.60 3d12 s GLY 523 Ca 0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 3d12 s GLY 523 CO -0.00 -0.20 -0.07 0.14 0.00 0.00 0.00 173.10 172.97 3d12 s VAL 524 N -3.26 2.97 0.28 1.40 1.01 -1.26 -0.03 120.40 121.51 3d12 s VAL 524 Ca 0.13 -0.85 0.12 0.00 0.00 0.00 0.00 61.98 61.38 3d12 s VAL 524 Cb -0.05 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3d12 s VAL 524 CO 0.09 0.30 -0.19 -0.36 0.00 0.00 0.00 175.10 174.94 3d12 s PHE 525 N 1.37 2.30 -0.35 5.22 0.08 -0.16 -4.71 117.98 121.73 3d12 s PHE 525 Ca 0.03 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 3d12 s PHE 525 Cb -0.16 -1.02 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 3d12 s PHE 525 CO -0.05 0.71 0.23 -0.51 -0.10 0.00 0.00 175.22 175.50 3d12 s LEU 526 N -3.52 4.59 -1.50 -0.37 1.43 -1.25 0.92 118.68 118.97 3d12 s LEU 526 Ca 0.30 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3d12 s LEU 526 Cb -0.04 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3d12 s LEU 526 CO 0.15 -0.28 2.59 -0.67 0.23 0.00 0.00 176.35 178.36 3d12 n ASP 527 N 5.09 7.14 -3.82 2.29 -0.08 0.40 -4.57 116.55 123.00 3d12 n ASP 527 Ca -0.12 -2.79 -0.12 0.00 -1.51 0.00 0.00 54.79 50.25 3d12 n ASP 527 Cb 0.49 -1.54 -0.09 0.00 2.34 0.00 0.00 41.12 42.32 3d12 n ASP 527 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3d12 s SER 528 N 1.97 -0.05 -0.12 1.67 0.15 -1.26 -4.85 113.70 111.21 3d12 s SER 528 Ca 0.59 -0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.87 3d12 s SER 528 Cb 0.16 0.28 -0.17 0.00 -1.71 0.00 0.00 66.02 64.59 3d12 s SER 528 CO -0.07 -0.49 0.55 0.78 1.20 0.00 0.00 173.24 175.22 3d12 h ASN 529 N 3.74 -0.02 0.00 5.45 2.35 -1.93 -3.32 115.58 121.85 3d12 h ASN 529 Ca -0.31 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 3d12 h ASN 529 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3d12 h ASN 529 CO 0.44 0.78 -0.01 0.00 -1.65 0.00 0.00 177.43 176.98 3d12 n GLN 530 N -4.70 1.61 -4.20 0.81 6.02 -1.26 -1.91 117.38 113.76 3d12 n GLN 530 Ca -0.07 -2.27 -0.16 0.00 -0.01 0.00 0.00 57.00 54.49 3d12 n GLN 530 Cb 0.31 -1.35 -0.13 0.00 1.02 0.00 0.00 30.24 30.08 3d12 n GLN 530 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3d12 s THR 531 N -2.35 0.61 -1.33 5.09 2.01 -1.26 -4.71 115.64 113.70 3d12 s THR 531 Ca 0.24 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 3d12 s THR 531 Cb 0.21 -0.57 0.13 0.00 0.01 0.00 0.00 72.50 72.28 3d12 s THR 531 CO 0.02 -0.03 2.03 0.00 -0.69 0.00 0.00 174.62 175.96 3d12 n ALA 532 N 2.35 5.62 -2.54 7.40 0.00 -1.26 -4.52 120.51 127.56 3d12 n ALA 532 Ca -0.17 -4.18 -0.09 0.00 0.00 0.00 0.00 53.44 49.01 3d12 n ALA 532 Cb 0.56 -3.09 -0.07 0.00 0.00 0.00 0.00 19.45 16.85 3d12 n ALA 532 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3d12 s GLU 533 N 0.87 0.85 -0.07 0.00 -1.05 -1.25 -1.06 118.70 117.00 3d12 s GLU 533 Ca 0.43 -0.99 -0.02 0.00 -0.15 0.00 0.00 54.97 54.24 3d12 s GLU 533 Cb 0.12 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 3d12 s GLU 533 CO -0.03 -0.27 0.08 -1.71 0.95 0.00 0.00 175.26 174.28 3d12 n ASN 534 N -0.06 -2.98 -4.65 0.83 5.15 0.62 -3.34 115.26 110.82 3d12 n ASN 534 Ca -0.14 0.12 -0.43 0.00 -0.60 0.00 0.00 54.58 53.52 3d12 n ASN 534 Cb 0.62 -1.72 -0.02 0.00 -0.53 0.00 0.00 39.78 38.13 3d12 n ASN 534 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3d12 s PRO 535 N -1.07 4.12 -0.20 1.20 0.05 -1.26 -0.45 135.00 137.38 3d12 s PRO 535 Ca 0.03 1.25 0.01 0.00 0.05 0.00 0.00 61.00 62.34 3d12 s PRO 535 Cb -0.01 -3.73 0.02 0.00 0.05 0.00 0.00 34.50 30.83 3d12 s PRO 535 CO 0.13 -0.83 -0.16 0.08 0.05 0.00 0.00 177.00 176.26 3d12 s VAL 536 N 3.61 2.27 -0.41 -0.36 1.01 0.26 -1.45 120.40 125.33 3d12 s VAL 536 Ca 0.48 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3d12 s VAL 536 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3d12 s VAL 536 CO 0.14 0.42 1.48 0.12 0.00 0.00 0.00 175.10 177.26 3d12 s PHE 537 N 1.28 2.28 -0.06 5.22 5.36 0.39 -0.99 117.98 131.47 3d12 s PHE 537 Ca 0.03 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 56.71 3d12 s PHE 537 Cb -0.14 -4.29 -0.01 0.00 -0.34 0.00 0.00 43.02 38.24 3d12 s PHE 537 CO -0.10 -2.15 -0.24 0.95 -1.46 0.00 0.00 175.22 172.22 3d12 s THR 538 N 5.75 1.97 -0.16 0.12 -4.23 0.95 -0.70 115.64 119.34 3d12 s THR 538 Ca 0.64 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.05 3d12 s THR 538 Cb -0.15 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3d12 s THR 538 CO 0.32 0.55 0.13 -0.69 -0.54 0.00 0.00 174.62 174.39 3d12 s VAL 539 N -0.14 5.41 0.10 2.29 1.01 0.09 -1.79 120.40 127.36 3d12 s VAL 539 Ca -0.03 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 3d12 s VAL 539 Cb -0.13 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.87 3d12 s VAL 539 CO 0.03 0.52 0.45 0.72 0.00 0.00 0.00 175.10 176.82 3d12 s PHE 540 N -0.27 -0.29 0.43 5.22 -0.12 0.02 -2.03 117.98 120.94 3d12 s PHE 540 Ca 0.11 0.09 0.04 0.00 -0.05 0.00 0.00 56.93 57.12 3d12 s PHE 540 Cb -0.11 0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 42.53 3d12 s PHE 540 CO 0.01 -0.69 0.03 0.15 -0.05 0.00 0.00 175.22 174.68 3d12 s LYS 541 N -3.34 1.98 0.28 1.99 1.02 0.24 -1.04 119.74 120.88 3d12 s LYS 541 Ca -0.00 -2.19 0.01 0.00 0.02 0.00 0.00 55.97 53.81 3d12 s LYS 541 Cb 0.01 -1.31 0.67 0.00 -0.52 0.00 0.00 37.83 36.68 3d12 s LYS 541 CO -0.09 -0.25 1.64 -0.44 -0.92 0.00 0.00 175.35 175.30 3d12 h ASP 542 N 1.69 -0.07 0.00 2.83 5.19 -1.92 -2.67 116.42 121.47 3d12 h ASP 542 Ca -0.42 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.16 3d12 h ASP 542 Cb 1.27 0.29 -0.06 0.00 0.18 0.00 0.00 39.33 41.01 3d12 h ASP 542 CO 0.73 -0.17 -0.42 0.59 -3.12 0.00 0.00 179.24 176.85 3d12 n ASN 543 N -5.25 1.14 -3.72 6.45 3.02 -1.26 -0.15 115.26 115.48 3d12 n ASN 543 Ca 0.20 -2.60 -0.12 0.00 -0.03 0.00 0.00 54.58 52.03 3d12 n ASN 543 Cb 0.66 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 39.37 3d12 n ASN 543 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3d12 s GLU 544 N -1.35 0.23 -0.38 3.52 2.02 -1.01 -4.94 118.70 116.79 3d12 s GLU 544 Ca 0.21 0.59 -0.19 0.00 0.02 0.00 0.00 54.97 55.60 3d12 s GLU 544 Cb 0.20 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.34 3d12 s GLU 544 CO -0.03 -0.18 0.54 0.42 0.02 0.00 0.00 175.26 176.04 3d12 s ILE 545 N 1.41 4.97 0.00 -1.63 1.01 -1.26 0.82 121.20 126.53 3d12 s ILE 545 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3d12 s ILE 545 Cb -0.10 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3d12 s ILE 545 CO -0.09 -0.34 0.49 0.18 0.00 0.00 0.00 174.94 175.17 3d12 n LEU 546 N 5.87 0.05 -4.26 2.97 4.77 -0.86 -4.77 117.00 120.78 3d12 n LEU 546 Ca -0.04 0.73 -0.14 0.00 -0.03 0.00 0.00 56.01 56.53 3d12 n LEU 546 Cb 0.48 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3d12 n LEU 546 CO 0.48 -0.48 -0.32 -0.72 -1.33 0.00 0.00 177.39 175.02 3d12 s TYR 547 N -1.94 1.29 0.35 -1.77 -0.85 -1.21 -1.38 117.35 111.85 3d12 s TYR 547 Ca 0.00 -1.05 -0.10 0.00 -0.52 0.00 0.00 57.07 55.40 3d12 s TYR 547 Cb 0.00 -0.74 0.03 0.00 0.38 0.00 0.00 41.96 41.63 3d12 s TYR 547 CO 0.00 -0.23 0.63 -0.98 -1.52 0.00 0.00 175.55 173.45 3d12 s ARG 548 N -3.94 2.03 -0.30 -3.49 1.70 -1.26 -0.73 118.95 112.96 3d12 s ARG 548 Ca 0.27 -1.54 -0.07 0.00 -0.47 0.00 0.00 55.73 53.92 3d12 s ARG 548 Cb 0.06 0.54 0.16 0.00 -0.57 0.00 0.00 34.95 35.14 3d12 s ARG 548 CO 0.06 -0.90 0.68 0.00 -1.08 0.00 0.00 175.30 174.06 3d12 s ALA 549 N -2.83 -2.25 0.07 7.88 0.00 0.12 -4.72 121.76 120.03 3d12 s ALA 549 Ca 0.22 2.09 -0.31 0.00 0.00 0.00 0.00 51.96 53.96 3d12 s ALA 549 Cb -0.03 -1.99 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 3d12 s ALA 549 CO 0.15 -1.11 1.52 -0.65 0.00 0.00 0.00 175.76 175.66 3d12 s GLN 550 N 2.85 4.25 0.19 0.00 -0.21 -1.26 -0.46 119.66 125.01 3d12 s GLN 550 Ca 0.05 2.19 0.06 0.00 0.02 0.00 0.00 55.36 57.68 3d12 s GLN 550 Cb -0.13 -3.45 0.07 0.00 1.00 0.00 0.00 33.01 30.50 3d12 s GLN 550 CO -0.19 -0.61 1.43 -0.07 -2.12 0.00 0.00 175.29 173.73 3d12 h LEU 551 N 7.88 0.12 0.00 2.90 3.38 -1.63 -3.47 115.31 124.49 3d12 h LEU 551 Ca -0.41 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3d12 h LEU 551 Cb 1.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3d12 h LEU 551 CO 0.91 0.88 0.00 0.00 0.09 0.00 0.00 178.44 180.32 3d12 n ALA 552 N -2.43 0.00 -2.10 1.53 0.00 -1.26 -5.08 120.51 111.18 3d12 n ALA 552 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 3d12 n ALA 552 Cb 0.77 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.25 3d12 n ALA 552 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d12 s SER 553 N 1.21 5.48 0.27 0.00 0.01 -1.26 -5.00 113.70 114.41 3d12 s SER 553 Ca 0.00 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 3d12 s SER 553 Cb 0.00 -1.08 0.49 0.00 0.21 0.00 0.00 66.02 65.65 3d12 s SER 553 CO 0.00 -0.97 1.83 -0.33 0.41 0.00 0.00 173.24 174.18 3d12 h GLU 554 N 0.22 0.92 -0.68 12.44 3.07 -2.00 -2.40 114.58 126.15 3d12 h GLU 554 Ca -0.43 -0.06 -0.28 0.00 -0.50 0.00 0.00 59.36 58.09 3d12 h GLU 554 Cb 1.28 -0.21 -0.17 0.00 -0.84 0.00 0.00 28.75 28.82 3d12 h GLU 554 CO 0.53 0.61 0.28 -0.40 -1.40 0.00 0.00 179.01 178.64 3d12 n ASP 555 N -4.65 3.86 -4.72 1.42 5.68 -1.26 -3.97 116.55 112.91 3d12 n ASP 555 Ca 0.17 -3.45 -0.41 0.00 -0.50 0.00 0.00 54.79 50.59 3d12 n ASP 555 Cb 0.32 -0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 39.53 3d12 n ASP 555 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3d12 s THR 556 N -3.14 4.64 0.05 2.12 2.01 -0.90 -4.74 115.64 115.68 3d12 s THR 556 Ca 0.52 2.04 -0.30 0.00 0.31 0.00 0.00 61.69 64.26 3d12 s THR 556 Cb 0.44 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3d12 s THR 556 CO 0.09 0.27 1.03 0.20 -0.69 0.00 0.00 174.62 175.52 3d12 s ASN 557 N 0.33 7.34 0.04 3.53 0.01 0.89 -0.28 114.94 126.80 3d12 s ASN 557 Ca 0.48 1.80 -0.12 0.00 -0.71 0.00 0.00 52.86 54.31 3d12 s ASN 557 Cb -0.22 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.87 3d12 s ASN 557 CO 0.29 -0.25 0.26 0.00 -1.51 0.00 0.00 177.10 175.89 3d12 s ALA 558 N 0.66 -0.56 0.00 0.60 0.00 -0.22 -0.76 121.76 121.48 3d12 s ALA 558 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3d12 s ALA 558 Cb -0.24 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3d12 s ALA 558 CO 0.29 -0.40 0.00 0.94 0.00 0.00 0.00 175.76 176.59 3d12 n GLN 559 N 0.59 0.00 -2.02 0.00 7.27 0.08 -3.93 117.38 119.37 3d12 n GLN 559 Ca -0.19 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.46 3d12 n GLN 559 Cb 0.59 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.21 3d12 n GLN 559 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3d12 s LYS 560 N 2.55 4.25 -0.05 3.69 2.20 -1.26 -4.72 119.74 126.40 3d12 s LYS 560 Ca 0.00 2.25 0.05 0.00 -0.36 0.00 0.00 55.97 57.91 3d12 s LYS 560 Cb 0.00 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3d12 s LYS 560 CO 0.00 -0.55 -0.22 0.95 -0.36 0.00 0.00 175.35 175.17 3d12 s THR 561 N 1.25 1.77 -0.22 3.43 -4.23 -0.05 -1.66 115.64 115.93 3d12 s THR 561 Ca 0.68 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3d12 s THR 561 Cb -0.41 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 71.98 3d12 s THR 561 CO 0.31 0.50 -0.04 -0.63 -0.54 0.00 0.00 174.62 174.21 3d12 s ILE 562 N -0.07 1.37 -0.16 2.99 1.01 0.86 -2.55 121.20 124.64 3d12 s ILE 562 Ca -0.04 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 3d12 s ILE 562 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3d12 s ILE 562 CO 0.03 -0.09 0.00 -0.89 0.00 0.00 0.00 174.94 173.99 3d12 s THR 563 N 1.47 4.26 -0.02 2.92 2.01 -1.26 -0.45 115.64 124.57 3d12 s THR 563 Ca -0.05 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.75 3d12 s THR 563 Cb -0.18 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3d12 s THR 563 CO -0.07 0.50 -0.09 0.20 -0.69 0.00 0.00 174.62 174.48 3d12 s ASN 564 N 0.20 1.15 0.14 3.53 0.01 -0.45 -4.54 114.94 114.98 3d12 s ASN 564 Ca 0.00 -0.18 0.11 0.00 -0.71 0.00 0.00 52.86 52.08 3d12 s ASN 564 Cb -0.13 -0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 3d12 s ASN 564 CO 0.02 0.06 -0.24 0.00 -1.51 0.00 0.00 177.10 175.43 3d12 n PHE 566 N 0.79 -0.64 -4.90 0.00 1.16 -0.34 -4.23 117.46 109.30 3d12 n PHE 566 Ca -0.17 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.11 3d12 n PHE 566 Cb 0.53 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.26 3d12 n PHE 566 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3d12 s LEU 567 N 0.00 2.19 -0.19 5.98 1.43 0.79 -1.33 118.68 127.56 3d12 s LEU 567 Ca 0.00 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 3d12 s LEU 567 Cb 0.00 -1.30 0.06 0.00 0.03 0.00 0.00 46.19 44.98 3d12 s LEU 567 CO 0.00 0.26 0.07 -0.22 0.23 0.00 0.00 176.35 176.69 3d12 s LEU 568 N -1.24 0.73 -1.19 1.79 2.96 0.65 -1.76 118.68 120.61 3d12 s LEU 568 Ca 0.12 -0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 3d12 s LEU 568 Cb -0.10 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 3d12 s LEU 568 CO 0.02 -0.33 0.82 0.29 -1.32 0.00 0.00 176.35 175.83 3d12 n LYS 569 N 5.17 -3.77 -0.55 1.98 5.02 -1.26 -2.01 118.16 122.75 3d12 n LYS 569 Ca -0.08 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3d12 n LYS 569 Cb 0.48 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 3d12 n LYS 569 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3d12 n ASN 570 N -3.04 -3.13 -4.79 4.39 2.85 -1.26 -4.93 115.26 105.35 3d12 n ASN 570 Ca -0.20 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 53.90 3d12 n ASN 570 Cb 0.65 -2.14 -0.07 0.00 1.24 0.00 0.00 39.78 39.46 3d12 n ASN 570 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3d12 s LYS 571 N -1.09 3.99 -0.08 1.20 1.02 -0.85 -1.33 119.74 122.59 3d12 s LYS 571 Ca 0.00 0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.83 3d12 s LYS 571 Cb 0.00 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 3d12 s LYS 571 CO 0.00 0.48 1.41 0.42 -0.92 0.00 0.00 175.35 176.74 3d12 s ILE 572 N -0.29 3.93 0.12 2.17 1.01 -1.26 -0.25 121.20 126.62 3d12 s ILE 572 Ca 0.18 1.18 0.10 0.00 0.00 0.00 0.00 60.65 62.12 3d12 s ILE 572 Cb -0.14 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3d12 s ILE 572 CO 0.07 -0.07 -0.23 0.26 0.00 0.00 0.00 174.94 174.97 3d12 s TRP 573 N 3.30 2.42 -0.03 3.97 0.52 -0.44 -1.19 118.94 127.48 3d12 s TRP 573 Ca 0.63 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.48 3d12 s TRP 573 Cb -0.28 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 3d12 s TRP 573 CO 0.22 0.35 -0.22 0.00 0.02 0.00 0.00 176.95 177.32 3d12 s ILE 575 N -0.31 2.67 -0.15 0.00 1.01 0.13 -0.08 121.20 124.47 3d12 s ILE 575 Ca 0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 3d12 s ILE 575 Cb -0.11 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3d12 s ILE 575 CO 0.01 0.49 -0.11 -0.44 0.00 0.00 0.00 174.94 174.89 3d12 s SER 576 N 1.31 4.10 -0.21 3.58 0.01 -0.30 -1.35 113.70 120.85 3d12 s SER 576 Ca 0.04 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 3d12 s SER 576 Cb -0.14 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 3d12 s SER 576 CO -0.08 0.12 0.49 -0.22 0.41 0.00 0.00 173.24 173.96 3d12 s LEU 577 N 0.62 4.14 -0.13 2.44 0.20 0.40 -1.14 118.68 125.20 3d12 s LEU 577 Ca -0.06 0.62 -0.00 0.00 0.69 0.00 0.00 54.13 55.37 3d12 s LEU 577 Cb -0.15 -2.65 0.03 0.00 -0.43 0.00 0.00 46.19 42.98 3d12 s LEU 577 CO 0.03 -0.17 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.14 3d12 s VAL 578 N 1.63 1.24 -0.42 1.68 1.01 0.02 -0.10 120.40 125.46 3d12 s VAL 578 Ca 0.22 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 3d12 s VAL 578 Cb -0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3d12 s VAL 578 CO 0.09 0.36 2.20 -1.61 0.00 0.00 0.00 175.10 176.14 3d12 s GLU 579 N 1.61 2.59 -0.07 2.72 2.02 -0.66 -0.74 118.70 126.17 3d12 s GLU 579 Ca 0.04 1.43 -0.05 0.00 0.02 0.00 0.00 54.97 56.41 3d12 s GLU 579 Cb -0.13 -4.45 0.02 0.00 0.10 0.00 0.00 34.13 29.67 3d12 s GLU 579 CO -0.09 -2.73 0.18 -1.50 0.02 0.00 0.00 175.26 171.14 3d12 s ILE 580 N 10.09 -0.01 -0.04 -1.63 2.07 -1.26 -0.74 121.20 129.68 3d12 s ILE 580 Ca 0.91 0.05 -0.29 0.00 -1.41 0.00 0.00 60.65 59.91 3d12 s ILE 580 Cb -0.21 -0.26 0.09 0.00 0.13 0.00 0.00 42.46 42.21 3d12 s ILE 580 CO 0.28 0.02 0.79 -0.72 -1.91 0.00 0.00 174.94 173.40 3d12 s TYR 581 N 0.41 -0.51 -0.05 3.50 -0.85 0.06 -4.33 117.35 115.58 3d12 s TYR 581 Ca -0.03 0.71 0.04 0.00 -0.52 0.00 0.00 57.07 57.28 3d12 s TYR 581 Cb -0.04 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 3d12 s TYR 581 CO -0.02 -0.56 -0.16 0.16 -1.52 0.00 0.00 175.55 173.45 3d12 s ASP 582 N -1.63 3.87 -0.09 -0.18 1.47 -1.26 -0.07 116.67 118.78 3d12 s ASP 582 Ca -0.04 -0.25 -0.41 0.00 1.18 0.00 0.00 52.55 53.03 3d12 s ASP 582 Cb -0.00 -0.84 -0.20 0.00 -0.34 0.00 0.00 42.92 41.54 3d12 s ASP 582 CO 0.01 0.33 1.21 0.35 0.68 0.00 0.00 175.17 177.75 3d12 n THR 583 N 2.44 0.01 -0.03 2.11 -2.24 -1.26 -3.23 114.28 112.08 3d12 n THR 583 Ca -0.17 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3d12 n THR 583 Cb 0.52 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3d12 n THR 583 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d12 n GLY 584 N 2.14 0.99 3.87 3.38 0.00 -1.26 -5.10 105.19 109.20 3d12 n GLY 584 Ca 0.22 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3d12 n GLY 584 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d12 s ASP 585 N -2.00 6.59 -0.01 1.61 1.47 -1.20 -5.04 116.67 118.09 3d12 s ASP 585 Ca 0.00 1.17 -0.15 0.00 1.18 0.00 0.00 52.55 54.74 3d12 s ASP 585 Cb 0.00 -2.33 -0.09 0.00 -0.34 0.00 0.00 42.92 40.16 3d12 s ASP 585 CO 0.00 -0.34 0.76 0.78 0.68 0.00 0.00 175.17 177.05 3d12 h ASN 586 N 1.55 -0.47 -3.60 2.11 4.21 -1.97 -3.42 115.58 113.99 3d12 h ASN 586 Ca -0.47 0.02 -0.62 0.00 1.21 0.00 0.00 56.30 56.43 3d12 h ASN 586 Cb 1.18 0.12 -0.15 0.00 -1.12 0.00 0.00 38.32 38.36 3d12 h ASN 586 CO 0.64 -0.16 -0.51 0.54 -1.29 0.00 0.00 177.43 176.66 3d12 s VAL 587 N -3.47 5.36 -0.07 2.81 0.11 -1.26 -2.49 120.40 121.38 3d12 s VAL 587 Ca -0.08 0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.95 3d12 s VAL 587 Cb 0.01 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 3d12 s VAL 587 CO 0.24 0.34 0.56 -0.63 -3.33 0.00 0.00 175.10 172.28 3d12 s ILE 588 N 1.10 5.07 0.01 7.04 1.01 -0.86 -5.03 121.20 129.54 3d12 s ILE 588 Ca 0.07 1.14 -0.28 0.00 0.00 0.00 0.00 60.65 61.59 3d12 s ILE 588 Cb -0.14 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.53 3d12 s ILE 588 CO 0.05 0.34 0.79 0.00 0.00 0.00 0.00 174.94 176.12 3d12 s ARG 589 N 0.38 0.95 0.52 2.79 1.70 -1.26 -0.77 118.95 123.26 3d12 s ARG 589 Ca 0.30 -0.19 -0.20 0.00 -0.47 0.00 0.00 55.73 55.18 3d12 s ARG 589 Cb -0.17 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3d12 s ARG 589 CO 0.14 -0.38 1.09 -2.14 -1.08 0.00 0.00 175.30 172.93 3d12 s PRO 590 N -2.67 3.53 0.25 3.89 0.02 -1.26 -3.99 135.00 134.76 3d12 s PRO 590 Ca 0.00 1.49 0.11 0.00 0.02 0.00 0.00 61.00 62.62 3d12 s PRO 590 Cb -0.01 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 3d12 s PRO 590 CO -0.05 -0.68 -0.16 0.15 -0.33 0.00 0.00 177.00 175.93 3d12 s LYS 591 N -3.30 1.81 -0.18 5.54 1.02 0.08 -4.92 119.74 119.78 3d12 s LYS 591 Ca 0.70 -1.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 3d12 s LYS 591 Cb -0.20 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 3d12 s LYS 591 CO 0.25 0.36 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.48 3d12 s LEU 592 N -3.28 3.02 -0.19 3.17 1.02 -1.26 -0.80 118.68 120.36 3d12 s LEU 592 Ca 0.28 -0.28 -0.00 0.00 0.02 0.00 0.00 54.13 54.15 3d12 s LEU 592 Cb -0.06 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.41 3d12 s LEU 592 CO 0.15 0.08 -0.15 -0.36 0.02 0.00 0.00 176.35 176.08 3d12 s PHE 593 N 0.91 2.83 -0.08 0.29 0.08 -0.29 -1.01 117.98 120.70 3d12 s PHE 593 Ca -0.01 -1.42 -0.20 0.00 0.12 0.00 0.00 56.93 55.42 3d12 s PHE 593 Cb -0.15 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3d12 s PHE 593 CO 0.01 -0.72 0.56 0.00 -0.10 0.00 0.00 175.22 174.97 3d12 s ALA 594 N 1.32 3.44 -0.35 5.36 0.00 0.46 -1.15 121.76 130.84 3d12 s ALA 594 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 3d12 s ALA 594 Cb -0.13 -2.74 0.13 0.00 0.00 0.00 0.00 23.12 20.37 3d12 s ALA 594 CO -0.10 0.02 0.19 0.08 0.00 0.00 0.00 175.76 175.94 3d12 s VAL 595 N 0.48 0.34 0.38 0.00 1.01 0.89 0.16 120.40 123.65 3d12 s VAL 595 Ca 0.30 -1.58 -0.28 0.00 0.00 0.00 0.00 61.98 60.42 3d12 s VAL 595 Cb -0.16 -1.26 -0.11 0.00 0.00 0.00 0.00 36.38 34.85 3d12 s VAL 595 CO 0.14 -0.89 1.48 -0.75 0.00 0.00 0.00 175.10 175.09 3d12 s LYS 596 N 1.26 4.11 -0.20 2.72 2.20 -1.26 -2.37 119.74 126.20 3d12 s LYS 596 Ca 0.15 2.57 -0.16 0.00 -0.36 0.00 0.00 55.97 58.17 3d12 s LYS 596 Cb -0.21 -2.97 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3d12 s LYS 596 CO -0.10 -0.53 0.42 0.42 -0.36 0.00 0.00 175.35 175.20 3d12 s ILE 597 N -1.12 5.18 0.17 5.43 -1.09 -0.33 -4.69 121.20 124.76 3d12 s ILE 597 Ca 0.53 0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 3d12 s ILE 597 Cb -0.46 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 3d12 s ILE 597 CO 0.63 0.24 0.96 -2.16 -1.23 0.00 0.00 174.94 173.38 3d12 s PRO 598 N 1.33 4.77 -0.05 2.79 0.05 -1.26 -4.71 135.00 137.92 3d12 s PRO 598 Ca 0.20 1.48 -0.24 0.00 0.05 0.00 0.00 61.00 62.50 3d12 s PRO 598 Cb -0.15 -3.33 -0.25 0.00 0.05 0.00 0.00 34.50 30.82 3d12 s PRO 598 CO 0.08 0.34 0.99 1.49 0.05 0.00 0.00 177.00 179.95 3d12 h GLU 599 N 4.90 0.21 -7.12 4.56 4.81 -1.91 0.17 114.58 120.20 3d12 h GLU 599 Ca -0.44 -0.26 -0.47 0.00 -0.13 0.00 0.00 59.36 58.06 3d12 h GLU 599 Cb 1.21 0.08 0.03 0.00 0.63 0.00 0.00 28.75 30.69 3d12 h GLU 599 CO 0.70 1.01 0.38 -0.65 -0.73 0.00 0.00 179.01 179.72 3d12 s GLN 600 N -2.91 3.77 -0.04 1.92 -1.52 -1.26 -2.98 119.66 116.64 3d12 s GLN 600 Ca -0.15 1.22 0.18 0.00 -1.95 0.00 0.00 55.36 54.67 3d12 s GLN 600 Cb 0.01 -2.10 0.59 0.00 -0.22 0.00 0.00 33.01 31.29 3d12 s GLN 600 CO 0.76 -0.44 1.50 0.00 -0.25 0.00 0.00 175.29 176.86 3d12 n THR 602 N 1.15 0.00 0.73 0.00 5.66 -1.26 -4.85 114.28 115.71 3d12 n THR 602 Ca 0.22 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.31 3d12 n THR 602 Cb 0.66 -0.05 0.07 0.00 -1.55 0.00 0.00 70.33 69.46 3d12 n THR 602 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02