#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 -1.48 -0.19 0.62 0.00 -1.26 -4.84 107.32 100.18 3d12 s GLY 177 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.84 3d12 s GLY 177 CO 0.00 3.93 0.25 0.14 0.00 0.00 0.00 173.10 177.43 3d12 s VAL 178 N 1.29 5.32 0.30 1.40 1.01 -1.26 -4.56 120.40 123.90 3d12 s VAL 178 Ca 0.23 0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.75 3d12 s VAL 178 Cb 0.03 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3d12 s VAL 178 CO -0.08 0.37 -0.13 -0.94 0.00 0.00 0.00 175.10 174.32 3d12 s SER 179 N 0.62 3.39 0.94 3.32 1.04 -1.01 -3.64 113.70 118.36 3d12 s SER 179 Ca 0.14 -1.13 -0.12 0.00 0.48 0.00 0.00 55.95 55.32 3d12 s SER 179 Cb -0.13 -0.28 0.06 0.00 0.10 0.00 0.00 66.02 65.77 3d12 s SER 179 CO 0.03 -0.15 0.59 0.59 0.98 0.00 0.00 173.24 175.28 3d12 n ASN 180 N -0.66 -1.48 -4.62 7.02 4.13 -1.26 -1.27 115.26 117.13 3d12 n ASN 180 Ca -0.05 0.36 -0.43 0.00 1.68 0.00 0.00 54.58 56.14 3d12 n ASN 180 Cb 0.62 -1.27 -0.02 0.00 -1.54 0.00 0.00 39.78 37.57 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 -2.37 3.78 0.08 3.41 2.96 -1.26 -4.32 118.68 120.95 3d12 s LEU 181 Ca 0.60 0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 55.12 3d12 s LEU 181 Cb -0.22 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.94 3d12 s LEU 181 CO 0.65 -1.08 0.31 0.68 -1.32 0.00 0.00 176.35 175.59 3d12 s VAL 182 N 4.09 0.09 0.00 1.68 -7.23 -1.26 -0.69 120.40 117.07 3d12 s VAL 182 Ca 0.47 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3d12 s VAL 182 Cb -0.10 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.75 3d12 s VAL 182 CO 0.24 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3d12 n GLY 183 N 0.20 3.33 3.04 2.32 0.00 -1.26 -4.23 105.19 108.59 3d12 n GLY 183 Ca -0.17 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 4.87 0.00 0.99 1.43 -1.26 -5.03 118.68 119.68 3d12 s LEU 184 Ca 0.00 -2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 50.66 3d12 s LEU 184 Cb 0.00 -1.70 0.20 0.00 0.03 0.00 0.00 46.19 44.72 3d12 s LEU 184 CO 0.00 -0.40 1.17 -0.81 0.23 0.00 0.00 176.35 176.54 3d12 n PRO 185 N 4.12 -1.09 -1.48 1.29 -0.05 -1.26 -5.00 135.00 131.52 3d12 n PRO 185 Ca 0.03 -1.86 -0.39 0.00 -0.05 0.00 0.00 63.50 61.23 3d12 n PRO 185 Cb 0.40 -1.18 0.03 0.00 -0.05 0.00 0.00 33.50 32.70 3d12 n PRO 185 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3d12 n ASN 186 N -3.72 -0.75 -4.76 3.54 4.13 -0.26 -4.93 115.26 108.51 3d12 n ASN 186 Ca 0.15 0.79 -0.37 0.00 1.68 0.00 0.00 54.58 56.83 3d12 n ASN 186 Cb 0.51 -1.19 0.02 0.00 -1.54 0.00 0.00 39.78 37.59 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 -1.11 5.54 0.28 6.41 0.01 -1.26 -4.82 114.94 119.99 3d12 s ASN 187 Ca 0.68 2.41 0.12 0.00 -0.71 0.00 0.00 52.86 55.36 3d12 s ASN 187 Cb -0.48 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.53 3d12 s ASN 187 CO 0.55 -1.35 -0.18 0.27 -1.51 0.00 0.00 177.10 174.87 3d12 s ILE 188 N -1.54 2.57 0.05 0.60 -4.36 -1.26 -3.82 121.20 113.43 3d12 s ILE 188 Ca 0.72 -2.36 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 3d12 s ILE 188 Cb -0.31 -2.35 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 3d12 s ILE 188 CO 0.35 -0.39 1.92 0.00 0.24 0.00 0.00 174.94 177.07 3d12 n LEU 190 N 7.13 3.48 -4.89 0.00 4.77 -1.26 -4.96 117.00 121.26 3d12 n LEU 190 Ca 0.19 -1.64 -0.33 0.00 -0.03 0.00 0.00 56.01 54.21 3d12 n LEU 190 Cb 0.41 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3d12 n LEU 190 CO 0.67 0.79 0.06 -1.10 -1.33 0.00 0.00 177.39 176.48 3d12 s GLN 191 N -1.30 3.68 0.05 3.23 -1.52 -1.26 -5.08 119.66 117.46 3d12 s GLN 191 Ca 0.39 0.03 -0.30 0.00 -1.95 0.00 0.00 55.36 53.53 3d12 s GLN 191 Cb 0.22 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 3d12 s GLN 191 CO 0.30 0.48 1.00 0.21 -0.25 0.00 0.00 175.29 177.03 3d12 s LYS 192 N -2.43 4.60 0.24 2.91 2.20 -1.26 -4.65 119.74 121.35 3d12 s LYS 192 Ca 0.39 1.48 -0.12 0.00 -0.36 0.00 0.00 55.97 57.35 3d12 s LYS 192 Cb -0.13 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3d12 s LYS 192 CO 0.22 0.03 0.45 -0.08 -0.36 0.00 0.00 175.35 175.62 3d12 s THR 193 N 0.59 0.01 -0.59 3.43 -1.32 0.25 -5.03 115.64 112.97 3d12 s THR 193 Ca 0.51 -1.39 0.08 0.00 -1.21 0.00 0.00 61.69 59.68 3d12 s THR 193 Cb -0.23 -2.16 -0.05 0.00 -1.51 0.00 0.00 72.50 68.56 3d12 s THR 193 CO 0.29 -0.03 0.47 -1.20 -2.21 0.00 0.00 174.62 171.94 3d12 n SER 194 N -0.36 0.76 -4.77 8.08 7.64 -1.26 -4.50 113.62 119.21 3d12 n SER 194 Ca -0.02 -0.88 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 3d12 n SER 194 Cb 0.62 0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 64.53 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 -1.50 6.79 -1.09 6.43 0.01 -1.26 -4.87 114.94 119.45 3d12 s ASN 195 Ca 0.05 2.65 -0.12 0.00 -0.71 0.00 0.00 52.86 54.73 3d12 s ASN 195 Cb 0.07 -2.64 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 3d12 s ASN 195 CO 0.28 -0.53 2.23 0.00 -1.51 0.00 0.00 177.10 177.57 3d12 n GLN 196 N 1.06 2.33 0.16 -0.60 1.13 -1.26 -4.50 117.38 115.70 3d12 n GLN 196 Ca 0.01 -1.86 0.12 0.00 -1.94 0.00 0.00 57.00 53.33 3d12 n GLN 196 Cb 0.42 -2.76 0.22 0.00 0.11 0.00 0.00 30.24 28.22 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 3.72 0.00 -3.54 5.09 3.07 -1.87 -3.43 117.51 120.56 3d12 h ILE 197 Ca 0.56 -0.82 -0.61 0.00 1.55 0.00 0.00 64.86 65.54 3d12 h ILE 197 Cb 0.39 1.73 -0.12 0.00 -0.27 0.00 0.00 36.82 38.55 3d12 h ILE 197 CO 1.71 0.00 -0.14 -0.76 -1.05 0.00 0.00 178.15 177.92 3d12 s LEU 198 N -5.50 4.11 -0.58 0.16 1.43 -1.26 -4.66 118.68 112.38 3d12 s LEU 198 Ca 0.07 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3d12 s LEU 198 Cb 0.08 -2.57 0.16 0.00 0.03 0.00 0.00 46.19 43.89 3d12 s LEU 198 CO 0.67 -0.16 0.40 -0.54 0.23 0.00 0.00 176.35 176.95 3d12 s LYS 199 N 1.70 1.89 0.62 1.70 1.02 -1.26 -4.85 119.74 120.56 3d12 s LYS 199 Ca 0.20 -2.80 -0.19 0.00 0.02 0.00 0.00 55.97 53.20 3d12 s LYS 199 Cb -0.15 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 3d12 s LYS 199 CO 0.09 -1.27 1.29 -2.30 -0.92 0.00 0.00 175.35 172.23 3d12 n PRO 200 N 2.51 1.22 -4.67 -1.68 -0.02 -1.26 -4.74 135.00 126.36 3d12 n PRO 200 Ca 0.19 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 3d12 n PRO 200 Cb 0.37 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.19 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 -3.23 1.32 0.14 -0.52 1.02 0.31 -4.96 119.74 113.82 3d12 s LYS 201 Ca 0.80 -0.77 -0.26 0.00 0.02 0.00 0.00 55.97 55.76 3d12 s LYS 201 Cb -0.39 -1.34 -0.07 0.00 -0.52 0.00 0.00 37.83 35.51 3d12 s LYS 201 CO 0.42 0.35 0.81 -1.17 -0.92 0.00 0.00 175.35 174.85 3d12 s LEU 202 N -0.83 4.56 0.00 3.17 2.96 -1.26 -0.57 118.68 126.70 3d12 s LEU 202 Ca 0.06 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 3d12 s LEU 202 Cb -0.08 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3d12 s LEU 202 CO 0.01 0.13 0.35 2.30 -1.32 0.00 0.00 176.35 177.81 3d12 n ILE 203 N 2.01 0.00 -0.29 6.68 -5.35 -1.03 -4.92 119.36 116.47 3d12 n ILE 203 Ca -0.04 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.55 3d12 n ILE 203 Cb 0.49 1.18 0.26 0.00 -1.74 0.00 0.00 39.64 39.83 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 0.15 -0.91 7.28 0.02 -1.92 -2.48 113.55 115.69 3d12 h SER 204 Ca 0.00 0.16 0.17 0.00 -0.84 0.00 0.00 61.79 61.28 3d12 h SER 204 Cb 0.87 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 3d12 h SER 204 CO 0.00 -0.04 0.59 0.10 -1.14 0.00 0.00 176.83 176.33 3d12 h TYR 205 N 0.32 0.76 -0.10 3.45 -0.00 -1.95 0.38 116.97 119.83 3d12 h TYR 205 Ca 0.51 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 59.29 3d12 h TYR 205 Cb 0.95 -0.24 -0.00 0.00 -0.00 0.00 0.00 36.73 37.44 3d12 h TYR 205 CO -0.21 0.24 0.17 1.79 -0.00 0.00 0.00 178.16 180.15 3d12 h THR 206 N 0.61 0.30 -3.49 -0.90 1.35 -1.71 -2.75 112.91 106.32 3d12 h THR 206 Ca 0.47 0.00 -0.70 0.00 -0.55 0.00 0.00 66.41 65.63 3d12 h THR 206 Cb 0.90 0.85 -0.35 0.00 -1.73 0.00 0.00 68.15 67.82 3d12 h THR 206 CO -0.22 0.00 -0.27 -0.22 -0.25 0.00 0.00 175.52 174.56 3d12 s LEU 207 N -6.99 5.39 0.35 3.87 2.96 0.13 -4.44 118.68 119.95 3d12 s LEU 207 Ca -0.05 -3.13 -0.29 0.00 -0.22 0.00 0.00 54.13 50.45 3d12 s LEU 207 Cb 0.14 -1.88 -0.11 0.00 0.50 0.00 0.00 46.19 44.83 3d12 s LEU 207 CO 0.47 -0.32 1.48 -0.81 -1.32 0.00 0.00 176.35 175.86 3d12 n PRO 208 N 3.13 2.58 -3.86 0.98 -0.04 -1.04 -4.92 135.00 131.82 3d12 n PRO 208 Ca 0.12 0.91 -0.12 0.00 -0.04 0.00 0.00 63.50 64.38 3d12 n PRO 208 Cb 0.38 -2.63 -0.12 0.00 -0.04 0.00 0.00 33.50 31.09 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 -0.79 0.03 0.12 0.52 -7.23 -1.26 -5.09 120.40 106.69 3d12 s VAL 209 Ca 0.57 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 3d12 s VAL 209 Cb -0.50 -0.21 -0.00 0.00 0.56 0.00 0.00 36.38 36.23 3d12 s VAL 209 CO 0.59 -0.14 0.01 0.52 -0.31 0.00 0.00 175.10 175.77 3d12 n VAL 210 N 2.55 0.00 0.00 1.32 0.31 -1.26 -5.14 118.33 116.11 3d12 n VAL 210 Ca -0.16 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 3d12 n VAL 210 Cb 0.58 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 3d12 n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d12 n GLY 211 N 3.14 3.88 3.48 2.92 0.00 -1.26 -5.05 105.19 112.30 3d12 n GLY 211 Ca -0.04 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.29 -1.04 0.77 1.61 1.11 -1.26 -4.80 119.66 112.76 3d12 s GLN 212 Ca 0.00 0.83 -0.15 0.00 0.01 0.00 0.00 55.36 56.06 3d12 s GLN 212 Cb 0.00 -1.54 0.04 0.00 -1.01 0.00 0.00 33.01 30.50 3d12 s GLN 212 CO 0.00 -3.80 1.00 0.43 0.01 0.00 0.00 175.29 172.93 3d12 n SER 213 N -4.97 0.43 0.00 5.90 7.64 -1.26 -2.33 113.62 119.02 3d12 n SER 213 Ca 0.03 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3d12 n SER 213 Cb 0.54 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 0.93 0.29 3.82 0.23 0.00 -0.54 -4.96 105.19 104.96 3d12 n GLY 214 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.71 4.76 -0.09 2.61 2.01 -0.98 -2.06 115.64 120.19 3d12 s THR 215 Ca 0.00 1.13 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 3d12 s THR 215 Cb 0.00 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.68 3d12 s THR 215 CO 0.00 0.48 -0.04 0.00 -0.69 0.00 0.00 174.62 174.37 3d12 s ILE 217 N 1.70 4.58 0.00 0.00 1.01 0.56 0.10 121.20 129.15 3d12 s ILE 217 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3d12 s ILE 217 Cb -0.13 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.09 3d12 s ILE 217 CO -0.06 0.18 0.00 0.35 0.00 0.00 0.00 174.94 175.41 3d12 n THR 218 N 4.97 0.00 -3.86 2.92 -2.24 0.85 -4.33 114.28 112.58 3d12 n THR 218 Ca -0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 3d12 n THR 218 Cb 0.50 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.89 -4.78 -4.75 3.42 2.03 -1.26 0.19 116.55 109.50 3d12 n ASP 219 Ca 0.00 -1.09 -0.39 0.00 0.52 0.00 0.00 54.79 53.83 3d12 n ASP 219 Cb 0.00 -2.19 -0.05 0.00 -0.72 0.00 0.00 41.12 38.16 3d12 n ASP 219 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3d12 s PRO 220 N -6.19 4.38 -0.03 -0.67 0.05 -1.26 -3.97 135.00 127.32 3d12 s PRO 220 Ca 0.32 0.82 0.07 0.00 0.05 0.00 0.00 61.00 62.27 3d12 s PRO 220 Cb -0.16 -3.37 -0.02 0.00 0.05 0.00 0.00 34.50 31.00 3d12 s PRO 220 CO 0.92 0.29 -0.24 -1.17 0.05 0.00 0.00 177.00 176.85 3d12 s LEU 221 N 0.02 2.14 -0.17 -3.56 0.20 -0.61 -4.95 118.68 111.75 3d12 s LEU 221 Ca 0.34 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.68 3d12 s LEU 221 Cb -0.19 -1.37 0.08 0.00 -0.43 0.00 0.00 46.19 44.29 3d12 s LEU 221 CO 0.18 0.32 0.22 -0.22 -0.29 0.00 0.00 176.35 176.57 3d12 s LEU 222 N -0.61 -0.15 0.04 -0.68 2.96 -1.26 -1.97 118.68 117.01 3d12 s LEU 222 Ca 0.10 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.13 3d12 s LEU 222 Cb -0.10 0.45 -0.03 0.00 0.50 0.00 0.00 46.19 47.00 3d12 s LEU 222 CO -0.01 -0.30 -0.24 0.00 -1.32 0.00 0.00 176.35 174.49 3d12 s ALA 223 N 2.34 2.36 -0.00 5.97 0.00 -0.14 -4.83 121.76 127.46 3d12 s ALA 223 Ca 0.05 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3d12 s ALA 223 Cb -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3d12 s ALA 223 CO -0.10 0.55 -0.02 -1.64 0.00 0.00 0.00 175.76 174.54 3d12 s MET 224 N -1.28 0.17 -0.29 0.00 -1.94 -1.26 -0.55 119.30 114.14 3d12 s MET 224 Ca 0.13 -0.06 -0.16 0.00 -1.71 0.00 0.00 55.69 53.89 3d12 s MET 224 Cb -0.10 -0.18 0.12 0.00 2.01 0.00 0.00 34.83 36.68 3d12 s MET 224 CO 0.03 0.03 0.86 0.34 -0.01 0.00 0.00 175.02 176.27 3d12 s ASP 225 N 0.06 -0.69 -1.63 3.03 2.15 -0.73 -4.99 116.67 113.86 3d12 s ASP 225 Ca -0.00 1.09 -0.17 0.00 0.43 0.00 0.00 52.55 53.90 3d12 s ASP 225 Cb -0.02 1.35 0.13 0.00 -0.30 0.00 0.00 42.92 44.08 3d12 s ASP 225 CO -0.00 -0.17 0.88 -0.62 -0.17 0.00 0.00 175.17 175.09 3d12 n GLU 226 N 4.08 -4.23 -1.65 4.34 1.02 -1.26 -0.54 120.64 122.40 3d12 n GLU 226 Ca -0.18 0.47 -0.05 0.00 -0.02 0.00 0.00 57.16 57.38 3d12 n GLU 226 Cb 0.57 -5.28 -0.01 0.00 -0.02 0.00 0.00 31.44 26.70 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 -1.53 0.44 3.39 0.62 0.00 -1.24 -4.93 105.19 101.94 3d12 n GLY 227 Ca 0.06 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.20 1.77 -0.04 1.61 2.02 0.29 -2.59 117.35 118.21 3d12 s TYR 228 Ca 0.00 -0.97 -0.07 0.00 -0.37 0.00 0.00 57.07 55.66 3d12 s TYR 228 Cb 0.00 -1.09 0.01 0.00 -0.40 0.00 0.00 41.96 40.48 3d12 s TYR 228 CO 0.00 -0.05 0.17 -0.59 -1.57 0.00 0.00 175.55 173.50 3d12 s PHE 229 N -3.40 -0.11 0.02 2.71 -0.12 -0.71 -1.77 117.98 114.60 3d12 s PHE 229 Ca 0.34 0.26 0.01 0.00 -0.05 0.00 0.00 56.93 57.49 3d12 s PHE 229 Cb 0.07 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 3d12 s PHE 229 CO 0.13 -0.17 0.06 0.00 -0.05 0.00 0.00 175.22 175.20 3d12 s ALA 230 N -0.45 3.52 -0.04 1.99 0.00 0.28 -2.08 121.76 124.99 3d12 s ALA 230 Ca -0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 3d12 s ALA 230 Cb -0.04 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.60 3d12 s ALA 230 CO 0.01 0.70 0.18 -0.47 0.00 0.00 0.00 175.76 176.17 3d12 s TYR 231 N -1.22 -0.10 0.09 0.00 5.04 0.23 -0.97 117.35 120.43 3d12 s TYR 231 Ca 0.24 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 54.99 3d12 s TYR 231 Cb -0.12 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.21 3d12 s TYR 231 CO 0.15 -0.20 0.21 0.45 -1.34 0.00 0.00 175.55 174.81 3d12 s SER 232 N -0.65 0.09 0.07 4.32 0.15 -0.83 0.17 113.70 117.02 3d12 s SER 232 Ca -0.07 -0.62 -0.27 0.00 0.70 0.00 0.00 55.95 55.68 3d12 s SER 232 Cb -0.04 0.35 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 3d12 s SER 232 CO 0.01 -0.74 0.96 -1.38 1.20 0.00 0.00 173.24 173.30 3d12 s HIS 233 N -3.84 -0.21 -0.11 3.44 -3.43 -0.50 -1.58 115.29 109.06 3d12 s HIS 233 Ca 0.05 -0.01 0.02 0.00 -0.80 0.00 0.00 55.06 54.31 3d12 s HIS 233 Cb 0.05 0.59 0.02 0.00 -1.43 0.00 0.00 32.58 31.80 3d12 s HIS 233 CO -0.11 -0.66 -0.15 -1.17 -2.00 0.00 0.00 174.74 170.64 3d12 s LEU 234 N -2.74 1.74 -0.40 5.38 2.96 0.13 -0.60 118.68 125.15 3d12 s LEU 234 Ca 0.09 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 3d12 s LEU 234 Cb -0.01 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.58 3d12 s LEU 234 CO -0.03 0.01 0.55 -0.70 -1.32 0.00 0.00 176.35 174.86 3d12 s GLU 235 N 1.03 3.36 -0.02 1.98 2.12 0.45 -0.11 118.70 127.52 3d12 s GLU 235 Ca -0.05 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 54.87 3d12 s GLU 235 Cb -0.15 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 3d12 s GLU 235 CO -0.03 -0.84 0.12 1.03 -0.54 0.00 0.00 175.26 175.01 3d12 s ARG 236 N 2.50 3.24 -0.44 4.30 0.52 0.11 0.83 118.95 130.01 3d12 s ARG 236 Ca 0.19 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.88 3d12 s ARG 236 Cb -0.15 -2.98 0.07 0.00 0.52 0.00 0.00 34.95 32.40 3d12 s ARG 236 CO 0.16 0.67 0.34 0.42 0.02 0.00 0.00 175.30 176.91 3d12 s ILE 237 N -1.21 4.93 0.00 1.52 1.01 0.56 0.05 121.20 128.06 3d12 s ILE 237 Ca 0.23 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3d12 s ILE 237 Cb -0.12 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3d12 s ILE 237 CO 0.14 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.18 3d12 n GLY 238 N 5.11 0.45 3.89 6.18 0.00 -0.87 -2.15 105.19 117.80 3d12 n GLY 238 Ca -0.12 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 6.48 0.53 1.61 1.04 -1.26 -4.61 113.70 113.49 3d12 s SER 239 Ca 0.00 1.00 0.31 0.00 0.48 0.00 0.00 55.95 57.74 3d12 s SER 239 Cb 0.00 -2.27 1.42 0.00 0.10 0.00 0.00 66.02 65.28 3d12 s SER 239 CO 0.00 -0.36 2.02 0.00 0.98 0.00 0.00 173.24 175.88 3d12 h SER 241 N 0.00 0.00 0.00 0.00 0.02 -1.99 -3.44 113.55 108.14 3d12 h SER 241 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3d12 h SER 241 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3d12 h SER 241 CO 0.01 1.03 0.00 0.54 -1.14 0.00 0.00 176.83 177.27 3d12 n ARG 242 N -4.57 1.84 -1.30 3.45 1.74 -1.23 -5.06 116.66 111.53 3d12 n ARG 242 Ca -0.16 -1.12 -0.34 0.00 -0.77 0.00 0.00 57.85 55.46 3d12 n ARG 242 Cb 0.42 -0.86 0.11 0.00 -1.02 0.00 0.00 32.46 31.11 3d12 n ARG 242 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3d12 s GLY 243 N -0.64 2.31 0.12 -0.13 0.00 -0.30 -4.79 107.32 103.90 3d12 s GLY 243 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 44.72 45.31 3d12 s GLY 243 CO 0.00 1.32 1.68 0.14 0.00 0.00 0.00 173.10 176.24 3d12 s VAL 244 N -2.00 2.68 -0.30 1.40 1.01 -0.91 -4.61 120.40 117.67 3d12 s VAL 244 Ca 0.75 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 3d12 s VAL 244 Cb -0.30 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3d12 s VAL 244 CO 0.48 0.01 1.85 -0.44 0.00 0.00 0.00 175.10 176.99 3d12 s SER 245 N 2.01 5.87 -0.14 3.32 0.01 -1.26 -0.32 113.70 123.18 3d12 s SER 245 Ca 0.75 1.44 -0.20 0.00 1.31 0.00 0.00 55.95 59.24 3d12 s SER 245 Cb -0.44 -2.52 -0.18 0.00 0.21 0.00 0.00 66.02 63.09 3d12 s SER 245 CO 0.33 -1.70 0.46 0.50 0.41 0.00 0.00 173.24 173.23 3d12 h LYS 246 N 13.00 0.00 -2.68 12.44 3.64 0.09 -3.46 116.57 139.60 3d12 h LYS 246 Ca -0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 3d12 h LYS 246 Cb 1.18 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 3d12 h LYS 246 CO 1.02 0.72 0.23 1.14 -2.27 0.00 0.00 179.45 180.29 3d12 s GLN 247 N -2.10 1.18 -0.11 1.90 -2.07 -1.09 -4.86 119.66 112.52 3d12 s GLN 247 Ca -0.16 -0.27 -0.03 0.00 -1.82 0.00 0.00 55.36 53.08 3d12 s GLN 247 Cb -0.01 0.55 -0.03 0.00 -1.09 0.00 0.00 33.01 32.43 3d12 s GLN 247 CO 0.50 -0.48 0.02 0.50 -1.32 0.00 0.00 175.29 174.51 3d12 s ARG 248 N -3.03 3.20 -0.12 9.60 6.06 -1.26 -0.41 118.95 132.99 3d12 s ARG 248 Ca -0.02 -0.37 0.02 0.00 -2.50 0.00 0.00 55.73 52.86 3d12 s ARG 248 Cb -0.01 -2.90 0.01 0.00 0.06 0.00 0.00 34.95 32.11 3d12 s ARG 248 CO -0.07 0.63 -0.19 0.42 -2.50 0.00 0.00 175.30 173.59 3d12 s ILE 249 N -0.68 1.82 -0.16 4.11 -1.09 0.23 -4.14 121.20 121.30 3d12 s ILE 249 Ca 0.11 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 3d12 s ILE 249 Cb -0.12 -1.62 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 3d12 s ILE 249 CO 0.02 0.50 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.42 3d12 s ILE 250 N 0.80 1.92 0.02 2.92 1.01 -0.76 -1.41 121.20 125.70 3d12 s ILE 250 Ca -0.09 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3d12 s ILE 250 Cb -0.16 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 3d12 s ILE 250 CO -0.00 0.52 0.02 -0.83 0.00 0.00 0.00 174.94 174.65 3d12 s GLY 251 N 1.17 0.19 0.20 6.18 0.00 0.13 -0.62 107.32 114.58 3d12 s GLY 251 Ca 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.26 3d12 s GLY 251 CO -0.09 -0.59 0.00 -1.34 0.00 0.00 0.00 173.10 171.09 3d12 s VAL 252 N -1.62 0.83 -0.72 1.40 -7.23 0.37 0.77 120.40 114.21 3d12 s VAL 252 Ca -0.14 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 3d12 s VAL 252 Cb -0.08 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3d12 s VAL 252 CO -0.01 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 3d12 n GLY 253 N -0.33 -0.63 3.16 2.32 0.00 -0.88 -0.96 105.19 107.87 3d12 n GLY 253 Ca -0.05 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.29 0.80 -0.33 1.61 -1.05 0.75 -1.73 118.70 118.46 3d12 s GLU 254 Ca 0.00 -1.06 -0.17 0.00 -0.15 0.00 0.00 54.97 53.59 3d12 s GLU 254 Cb 0.00 -0.57 -0.01 0.00 -0.44 0.00 0.00 34.13 33.11 3d12 s GLU 254 CO 0.00 0.10 0.45 0.08 0.95 0.00 0.00 175.26 176.84 3d12 s VAL 255 N -2.04 5.08 0.05 1.83 1.01 -1.07 -0.79 120.40 124.47 3d12 s VAL 255 Ca 0.02 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3d12 s VAL 255 Cb -0.05 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3d12 s VAL 255 CO 0.01 -0.11 -0.20 -0.76 0.00 0.00 0.00 175.10 174.03 3d12 s LEU 256 N 2.24 2.18 -0.55 3.92 1.43 -0.37 -4.29 118.68 123.23 3d12 s LEU 256 Ca 0.16 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3d12 s LEU 256 Cb -0.16 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 3d12 s LEU 256 CO 0.12 0.14 2.17 -0.62 0.23 0.00 0.00 176.35 178.39 3d12 s ASP 257 N -1.25 4.79 0.00 2.29 -1.08 -1.26 -1.39 116.67 118.77 3d12 s ASP 257 Ca 0.07 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.83 3d12 s ASP 257 Cb -0.09 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 3d12 s ASP 257 CO 0.02 -2.67 0.13 -2.11 0.52 0.00 0.00 175.17 171.05 3d12 n ARG 258 N 9.09 0.16 0.00 4.34 1.85 -0.79 -4.32 116.66 126.98 3d12 n ARG 258 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 3d12 n ARG 258 Cb 0.54 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.92 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 -0.07 2.84 0.30 2.89 0.00 -1.26 -4.83 105.19 105.06 3d12 n GLY 259 Ca 0.00 -0.42 0.20 0.00 0.00 0.00 0.00 46.02 45.79 3d12 n GLY 259 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3d12 h ASP 260 N 0.00 0.00 -0.50 1.61 3.58 -1.97 -3.45 116.42 115.69 3d12 h ASP 260 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3d12 h ASP 260 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3d12 h ASP 260 CO 0.00 0.00 -0.04 1.21 -2.88 0.00 0.00 179.24 177.53 3d12 n GLU 261 N -3.03 -0.24 -4.14 0.28 2.13 -1.26 -5.07 120.64 109.30 3d12 n GLU 261 Ca -0.01 0.07 -0.21 0.00 0.66 0.00 0.00 57.16 57.68 3d12 n GLU 261 Cb 0.18 -3.45 -0.16 0.00 0.27 0.00 0.00 31.44 28.27 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 -2.30 0.57 0.40 6.31 1.01 -1.26 -5.00 120.40 120.13 3d12 s VAL 262 Ca 0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.60 3d12 s VAL 262 Cb -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3d12 s VAL 262 CO 0.01 0.24 1.38 -2.16 0.00 0.00 0.00 175.10 174.58 3d12 s PRO 263 N 1.02 3.98 -0.07 2.72 0.04 -1.26 -1.89 135.00 139.54 3d12 s PRO 263 Ca -0.09 2.34 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 3d12 s PRO 263 Cb -0.14 -2.83 0.04 0.00 0.04 0.00 0.00 34.50 31.61 3d12 s PRO 263 CO -0.00 -0.55 0.45 0.45 0.04 0.00 0.00 177.00 177.39 3d12 s SER 264 N -0.49 -0.40 -0.19 6.66 0.15 -0.49 -4.86 113.70 114.08 3d12 s SER 264 Ca 0.56 0.50 -0.18 0.00 0.70 0.00 0.00 55.95 57.53 3d12 s SER 264 Cb -0.42 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 3d12 s SER 264 CO 0.55 -0.41 0.49 -0.76 1.20 0.00 0.00 173.24 174.31 3d12 s LEU 265 N -0.84 4.16 -0.20 3.45 1.43 -1.26 -1.24 118.68 124.18 3d12 s LEU 265 Ca -0.09 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3d12 s LEU 265 Cb -0.03 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.57 3d12 s LEU 265 CO 0.05 -0.14 -0.09 -0.36 0.23 0.00 0.00 176.35 176.03 3d12 s PHE 266 N 1.47 2.41 0.17 0.29 0.08 0.03 -3.62 117.98 118.80 3d12 s PHE 266 Ca 0.23 -1.61 -0.30 0.00 0.12 0.00 0.00 56.93 55.36 3d12 s PHE 266 Cb -0.15 -1.62 -0.08 0.00 -0.57 0.00 0.00 43.02 40.59 3d12 s PHE 266 CO 0.09 -0.75 1.22 -1.64 -0.10 0.00 0.00 175.22 174.05 3d12 s MET 267 N 1.40 4.46 0.00 0.44 -1.94 -1.26 -0.18 119.30 122.22 3d12 s MET 267 Ca -0.02 1.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.86 3d12 s MET 267 Cb -0.17 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.43 3d12 s MET 267 CO -0.08 -0.15 0.00 0.25 -0.01 0.00 0.00 175.02 175.04 3d12 n THR 268 N 2.75 0.00 -3.31 2.05 -2.24 -0.14 -4.93 114.28 108.46 3d12 n THR 268 Ca 0.05 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 3d12 n THR 268 Cb 0.44 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.58 -0.79 -0.09 3.42 3.84 -0.78 -4.64 114.94 114.33 3d12 s ASN 269 Ca 0.00 0.78 0.04 0.00 0.21 0.00 0.00 52.86 53.89 3d12 s ASN 269 Cb 0.00 1.81 0.00 0.00 -0.55 0.00 0.00 41.25 42.51 3d12 s ASN 269 CO 0.00 -0.26 -0.22 0.68 -2.79 0.00 0.00 177.10 174.51 3d12 s VAL 270 N 2.75 1.86 -0.08 -5.21 -7.23 -1.26 -0.48 120.40 110.75 3d12 s VAL 270 Ca 0.13 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 3d12 s VAL 270 Cb -0.15 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3d12 s VAL 270 CO -0.19 0.52 -0.16 0.86 -0.31 0.00 0.00 175.10 175.83 3d12 s TRP 271 N 0.34 2.71 -0.17 2.82 -0.00 0.21 -5.01 118.94 119.84 3d12 s TRP 271 Ca -0.16 -0.46 -0.00 0.00 -0.00 0.00 0.00 56.10 55.48 3d12 s TRP 271 Cb -0.17 -1.71 0.00 0.00 -0.00 0.00 0.00 33.47 31.59 3d12 s TRP 271 CO 0.07 -0.05 -0.14 0.95 -0.00 0.00 0.00 176.95 177.78 3d12 s THR 272 N -0.18 2.69 0.74 5.86 -4.23 -1.26 -1.83 115.64 117.42 3d12 s THR 272 Ca -0.01 -0.75 -0.15 0.00 -1.18 0.00 0.00 61.69 59.60 3d12 s THR 272 Cb -0.13 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.60 3d12 s THR 272 CO 0.03 0.50 1.19 -2.65 -0.54 0.00 0.00 174.62 173.15 3d12 n PRO 273 N 4.27 0.54 0.24 3.99 -0.02 -1.26 -4.97 135.00 137.79 3d12 n PRO 273 Ca -0.19 0.25 -0.15 0.00 -2.02 0.00 0.00 63.50 61.38 3d12 n PRO 273 Cb 0.51 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 3d12 n PRO 273 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3d12 h PRO 274 N -0.33 -0.56 -4.82 0.52 0.13 -2.00 -3.41 132.00 121.54 3d12 h PRO 274 Ca -0.48 0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.01 3d12 h PRO 274 Cb 1.32 0.13 -0.26 0.00 0.13 0.00 0.00 31.00 32.32 3d12 h PRO 274 CO 0.48 -0.32 -0.62 1.21 -0.23 0.00 0.00 178.00 178.52 3d12 s ASN 275 N -4.76 5.12 0.51 1.44 2.47 -1.26 -4.96 114.94 113.50 3d12 s ASN 275 Ca -0.16 -0.67 0.21 0.00 0.42 0.00 0.00 52.86 52.67 3d12 s ASN 275 Cb 0.03 -1.88 1.34 0.00 -1.45 0.00 0.00 41.25 39.29 3d12 s ASN 275 CO 0.60 -0.18 2.10 -0.65 -3.72 0.00 0.00 177.10 175.25 3d12 h PRO 276 N 8.23 0.00 0.00 0.43 0.11 -1.89 -3.03 132.00 135.85 3d12 h PRO 276 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3d12 h PRO 276 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3d12 h PRO 276 CO 0.60 0.10 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.49 3d12 h ASN 277 N 0.00 0.00 0.55 -2.05 2.35 -1.93 -3.34 115.58 111.16 3d12 h ASN 277 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d12 h ASN 277 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3d12 h ASN 277 CO 0.01 0.09 -1.38 0.35 -1.65 0.00 0.00 177.43 174.86 3d12 n THR 278 N -3.15 0.33 -3.45 2.81 -2.24 -1.14 -4.81 114.28 102.63 3d12 n THR 278 Ca 0.02 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 3d12 n THR 278 Cb 0.49 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.40 5.26 0.04 2.28 1.01 -1.25 -0.13 120.40 124.20 3d12 s VAL 279 Ca -0.03 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3d12 s VAL 279 Cb 0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3d12 s VAL 279 CO 0.84 0.34 -0.04 -0.31 0.00 0.00 0.00 175.10 175.92 3d12 s TYR 280 N 0.74 0.45 -1.34 5.22 2.02 -0.36 -4.98 117.35 119.09 3d12 s TYR 280 Ca 0.19 -0.69 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 3d12 s TYR 280 Cb -0.14 -0.30 -0.00 0.00 -0.40 0.00 0.00 41.96 41.12 3d12 s TYR 280 CO 0.06 -0.22 0.55 0.72 -1.57 0.00 0.00 175.55 175.10 3d12 n HIS 281 N 1.07 -1.76 -2.16 2.71 8.25 -1.26 -0.50 115.22 121.57 3d12 n HIS 281 Ca -0.20 0.74 -0.35 0.00 -0.26 0.00 0.00 57.72 57.64 3d12 n HIS 281 Cb 0.57 -3.91 0.02 0.00 1.12 0.00 0.00 29.99 27.78 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 -1.70 0.03 -0.03 0.00 0.15 0.16 -4.54 113.70 107.78 3d12 s SER 283 Ca 0.75 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 57.36 3d12 s SER 283 Cb -0.27 0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3d12 s SER 283 CO 0.29 -0.10 -0.16 0.00 1.20 0.00 0.00 173.24 174.47 3d12 s ALA 284 N -0.40 1.41 0.01 5.45 0.00 -0.33 -0.23 121.76 127.66 3d12 s ALA 284 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3d12 s ALA 284 Cb -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3d12 s ALA 284 CO -0.00 0.30 -0.09 0.54 0.00 0.00 0.00 175.76 176.51 3d12 s VAL 285 N -0.16 0.69 -0.16 0.00 0.11 -0.59 -1.93 120.40 118.36 3d12 s VAL 285 Ca 0.01 -0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.46 3d12 s VAL 285 Cb -0.09 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3d12 s VAL 285 CO 0.01 0.08 0.11 -0.47 -3.33 0.00 0.00 175.10 171.50 3d12 s TYR 286 N -0.43 3.44 0.00 1.54 5.04 -1.26 -0.90 117.35 124.77 3d12 s TYR 286 Ca 0.01 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 3d12 s TYR 286 Cb -0.05 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.24 3d12 s TYR 286 CO 0.00 0.46 0.00 -1.71 -1.34 0.00 0.00 175.55 172.96 3d12 n ASN 287 N 2.79 0.00 -3.47 4.32 5.15 0.03 -4.62 115.26 119.45 3d12 n ASN 287 Ca -0.18 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.52 3d12 n ASN 287 Cb 0.53 -0.07 -0.11 0.00 -0.53 0.00 0.00 39.78 39.60 3d12 n ASN 287 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3d12 s ASN 288 N -3.53 2.56 -1.71 1.20 3.84 -1.26 -4.77 114.94 111.27 3d12 s ASN 288 Ca 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 52.86 50.53 3d12 s ASN 288 Cb 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 41.25 40.21 3d12 s ASN 288 CO 0.00 -0.26 0.00 -0.62 -2.79 0.00 0.00 177.10 173.43 3d12 n GLU 289 N 3.57 -1.52 -3.74 0.43 -0.58 -1.26 -4.93 120.64 112.60 3d12 n GLU 289 Ca 0.18 1.03 -0.16 0.00 -0.42 0.00 0.00 57.16 57.79 3d12 n GLU 289 Cb 0.40 -5.39 -0.16 0.00 -0.57 0.00 0.00 31.44 25.72 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 -2.36 0.02 -0.12 -0.32 0.08 -1.26 -1.94 117.98 112.09 3d12 s PHE 290 Ca 0.00 0.19 -0.17 0.00 0.12 0.00 0.00 56.93 57.06 3d12 s PHE 290 Cb 0.00 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 3d12 s PHE 290 CO 0.00 -0.12 0.45 0.71 -0.10 0.00 0.00 175.22 176.16 3d12 s TYR 291 N 1.36 3.52 -0.21 0.36 1.51 0.36 -0.79 117.35 123.45 3d12 s TYR 291 Ca -0.06 0.86 -0.07 0.00 -1.01 0.00 0.00 57.07 56.80 3d12 s TYR 291 Cb -0.13 -2.51 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 3d12 s TYR 291 CO -0.03 0.20 0.06 0.71 -1.11 0.00 0.00 175.55 175.38 3d12 s TYR 292 N 0.50 3.16 -0.31 2.71 2.02 -0.08 -1.13 117.35 124.23 3d12 s TYR 292 Ca 0.25 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 3d12 s TYR 292 Cb -0.15 -2.14 0.08 0.00 -0.40 0.00 0.00 41.96 39.35 3d12 s TYR 292 CO 0.10 -0.07 -0.01 0.08 -1.57 0.00 0.00 175.55 174.07 3d12 s VAL 293 N 0.89 2.43 -0.05 0.71 1.01 0.80 -1.54 120.40 124.65 3d12 s VAL 293 Ca 0.03 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.89 3d12 s VAL 293 Cb -0.14 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3d12 s VAL 293 CO 0.03 -0.28 0.82 -0.22 0.00 0.00 0.00 175.10 175.44 3d12 s LEU 294 N 1.06 4.32 0.13 3.92 2.96 0.67 -1.47 118.68 130.27 3d12 s LEU 294 Ca -0.00 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3d12 s LEU 294 Cb -0.20 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 3d12 s LEU 294 CO -0.05 -0.20 -0.02 0.00 -1.32 0.00 0.00 176.35 174.76 3d12 s ALA 296 N -3.72 3.80 -0.19 0.00 0.00 0.34 -1.56 121.76 120.44 3d12 s ALA 296 Ca 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 3d12 s ALA 296 Cb 0.06 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 3d12 s ALA 296 CO -0.01 0.54 -0.03 0.08 0.00 0.00 0.00 175.76 176.35 3d12 s VAL 297 N -0.98 3.74 -0.12 0.00 1.01 -0.22 -1.22 120.40 122.60 3d12 s VAL 297 Ca 0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3d12 s VAL 297 Cb -0.14 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.62 3d12 s VAL 297 CO 0.07 0.45 0.28 -0.55 0.00 0.00 0.00 175.10 175.35 3d12 s SER 298 N 0.93 -0.10 -0.23 3.32 0.15 0.82 -4.34 113.70 114.23 3d12 s SER 298 Ca 0.00 0.61 0.14 0.00 0.70 0.00 0.00 55.95 57.41 3d12 s SER 298 Cb -0.14 0.58 0.73 0.00 -1.71 0.00 0.00 66.02 65.48 3d12 s SER 298 CO 0.01 -0.19 1.67 0.35 1.20 0.00 0.00 173.24 176.28 3d12 n THR 299 N 4.63 2.67 -1.34 6.45 -2.24 -1.26 -4.11 114.28 119.08 3d12 n THR 299 Ca -0.18 -1.59 0.03 0.00 -2.27 0.00 0.00 64.05 60.04 3d12 n THR 299 Cb 0.52 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.20 0.68 -2.19 2.28 0.24 -1.26 -5.13 118.33 113.14 3d12 n VAL 300 Ca 0.28 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3d12 n VAL 300 Cb 1.14 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.49 -2.22 3.57 7.63 0.00 -1.26 -4.76 105.19 107.66 3d12 n GLY 301 Ca 0.05 -1.52 -0.49 0.00 0.00 0.00 0.00 46.02 44.06 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 0.18 2.82 -0.26 1.61 -0.08 -1.26 -4.81 116.55 114.75 3d12 n ASP 302 Ca 0.00 0.59 0.26 0.00 -1.51 0.00 0.00 54.79 54.13 3d12 n ASP 302 Cb 0.00 -1.35 0.61 0.00 2.34 0.00 0.00 41.12 42.72 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 11.62 0.21 -0.59 -0.67 0.11 -1.88 0.43 132.00 141.23 3d12 h PRO 303 Ca -0.38 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.73 3d12 h PRO 303 Cb 1.29 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3d12 h PRO 303 CO 0.98 0.14 0.37 0.82 -0.21 0.00 0.00 178.00 180.10 3d12 h ILE 304 N 0.21 1.10 -0.00 4.15 1.08 -1.97 -0.46 117.51 121.62 3d12 h ILE 304 Ca 0.51 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 3d12 h ILE 304 Cb 1.60 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 3d12 h ILE 304 CO -0.13 0.14 -0.13 0.18 -0.69 0.00 0.00 178.15 177.52 3d12 n LEU 305 N -4.72 0.51 -2.77 1.44 4.77 0.14 -4.07 117.00 112.31 3d12 n LEU 305 Ca 0.05 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 3d12 n LEU 305 Cb 0.06 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 3d12 n LEU 305 CO 0.34 0.09 0.23 -3.20 -1.33 0.00 0.00 177.39 173.52 3d12 n ASN 306 N -0.95 0.39 -0.25 -1.43 2.85 -0.76 -4.99 115.26 110.12 3d12 n ASN 306 Ca 0.14 -2.14 0.00 0.00 -0.11 0.00 0.00 54.58 52.47 3d12 n ASN 306 Cb 0.29 -0.02 0.07 0.00 1.24 0.00 0.00 39.78 41.35 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 2.05 -0.77 0.73 1.20 0.02 -1.23 -0.88 113.55 114.66 3d12 h SER 307 Ca -0.25 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3d12 h SER 307 Cb 1.28 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.30 3d12 h SER 307 CO 0.06 -0.25 0.00 0.35 -1.14 0.00 0.00 176.83 175.85 3d12 n THR 308 N -5.48 0.84 0.54 -2.27 -2.24 -1.26 -2.25 114.28 102.16 3d12 n THR 308 Ca 0.09 0.21 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 3d12 n THR 308 Cb 0.37 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 67.36 3d12 n THR 308 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3d12 n TYR 309 N -2.15 0.00 -2.31 4.78 4.02 -0.37 -4.99 117.16 116.14 3d12 n TYR 309 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.51 3d12 n TYR 309 Cb 0.23 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.96 3.35 -0.51 -0.72 -0.00 -0.95 -4.92 118.94 112.23 3d12 s TRP 310 Ca 0.02 1.56 0.25 0.00 -0.00 0.00 0.00 56.10 57.93 3d12 s TRP 310 Cb 0.13 -3.46 0.94 0.00 -0.00 0.00 0.00 33.47 31.08 3d12 s TRP 310 CO 0.77 -1.15 1.75 0.66 -0.00 0.00 0.00 176.95 178.98 3d12 h SER 311 N 3.72 0.00 0.00 5.86 4.64 -1.88 -3.46 113.55 122.43 3d12 h SER 311 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3d12 h SER 311 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3d12 h SER 311 CO 0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 3d12 n GLY 312 N 0.46 0.48 3.71 -0.77 0.00 -1.26 -5.00 105.19 102.80 3d12 n GLY 312 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3d12 n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d12 s SER 313 N -2.02 7.24 0.47 1.61 1.04 -1.26 -4.76 113.70 116.02 3d12 s SER 313 Ca 0.00 1.75 0.07 0.00 0.48 0.00 0.00 55.95 58.25 3d12 s SER 313 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3d12 s SER 313 CO 0.00 -0.37 0.38 -0.76 0.98 0.00 0.00 173.24 173.47 3d12 s LEU 314 N 1.28 3.10 -0.25 2.42 1.43 -1.26 -1.06 118.68 124.33 3d12 s LEU 314 Ca 0.54 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3d12 s LEU 314 Cb -0.23 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.42 3d12 s LEU 314 CO 0.26 -0.83 0.64 -0.32 0.23 0.00 0.00 176.35 176.33 3d12 s MET 315 N -4.18 0.68 0.13 1.70 -2.45 -0.60 -4.55 119.30 110.03 3d12 s MET 315 Ca 0.43 1.06 0.05 0.00 -1.25 0.00 0.00 55.69 55.98 3d12 s MET 315 Cb -0.02 0.18 -0.04 0.00 1.25 0.00 0.00 34.83 36.21 3d12 s MET 315 CO 0.25 -0.13 0.07 1.41 1.05 0.00 0.00 175.02 177.67 3d12 s MET 316 N 1.21 2.72 -0.04 4.11 1.75 -1.15 -1.02 119.30 126.88 3d12 s MET 316 Ca -0.07 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 53.52 3d12 s MET 316 Cb -0.05 -2.59 0.02 0.00 2.84 0.00 0.00 34.83 35.05 3d12 s MET 316 CO -0.13 0.51 -0.05 0.99 -0.65 0.00 0.00 175.02 175.70 3d12 s THR 317 N -1.56 0.55 -0.33 10.11 2.01 -0.54 -3.09 115.64 122.77 3d12 s THR 317 Ca 0.29 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 3d12 s THR 317 Cb -0.11 -0.57 0.06 0.00 0.01 0.00 0.00 72.50 71.89 3d12 s THR 317 CO 0.21 0.22 0.08 -0.60 -0.69 0.00 0.00 174.62 173.84 3d12 s ARG 318 N 0.86 2.43 -0.17 4.92 3.52 0.20 -0.14 118.95 130.58 3d12 s ARG 318 Ca -0.12 -1.33 -0.05 0.00 -0.13 0.00 0.00 55.73 54.10 3d12 s ARG 318 Cb -0.14 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3d12 s ARG 318 CO 0.00 -0.72 0.01 -0.51 -0.81 0.00 0.00 175.30 173.27 3d12 s LEU 319 N 1.29 3.50 -0.01 -0.88 1.43 -0.28 -1.40 118.68 122.32 3d12 s LEU 319 Ca -0.02 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 3d12 s LEU 319 Cb -0.20 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3d12 s LEU 319 CO -0.00 0.17 1.13 0.00 0.23 0.00 0.00 176.35 177.88 3d12 s ALA 320 N 0.37 3.37 0.21 4.21 0.00 -0.67 -0.49 121.76 128.76 3d12 s ALA 320 Ca -0.01 0.65 0.33 0.00 0.00 0.00 0.00 51.96 52.93 3d12 s ALA 320 Cb -0.13 -3.44 1.45 0.00 0.00 0.00 0.00 23.12 20.99 3d12 s ALA 320 CO 0.02 -0.52 2.02 -0.39 0.00 0.00 0.00 175.76 176.89 3d12 h VAL 321 N 4.81 0.13 -2.73 0.00 -1.51 -1.75 -3.32 116.25 111.88 3d12 h VAL 321 Ca -0.38 -0.53 -0.60 0.00 -1.23 0.00 0.00 66.70 63.96 3d12 h VAL 321 Cb 1.19 1.47 -0.40 0.00 -2.13 0.00 0.00 31.29 31.42 3d12 h VAL 321 CO 0.83 0.04 -0.80 -0.54 -1.23 0.00 0.00 177.57 175.87 3d12 s LYS 322 N -3.78 1.43 0.02 5.19 1.02 -1.26 -4.64 119.74 117.72 3d12 s LYS 322 Ca -0.00 -2.41 -0.36 0.00 0.02 0.00 0.00 55.97 53.22 3d12 s LYS 322 Cb 0.10 -2.21 -0.15 0.00 -0.52 0.00 0.00 37.83 35.05 3d12 s LYS 322 CO 0.54 -1.30 1.57 -2.30 -0.92 0.00 0.00 175.35 172.94 3d12 n PRO 323 N 2.81 1.61 -1.29 -1.68 -0.02 -1.25 -4.96 135.00 130.22 3d12 n PRO 323 Ca 0.21 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 3d12 n PRO 323 Cb 0.40 -2.30 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.72 1.99 -0.40 -0.52 2.20 -1.26 -5.00 119.74 118.46 3d12 s LYS 324 Ca 0.87 1.59 -0.20 0.00 -0.36 0.00 0.00 55.97 57.87 3d12 s LYS 324 Cb -0.85 -1.83 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 3d12 s LYS 324 CO 0.48 -1.92 0.61 0.45 -0.36 0.00 0.00 175.35 174.61 3d12 s SER 325 N -2.41 6.34 -1.11 1.43 0.15 -1.26 -4.04 113.70 112.80 3d12 s SER 325 Ca 0.70 -0.19 -0.02 0.00 0.70 0.00 0.00 55.95 57.14 3d12 s SER 325 Cb -0.25 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3d12 s SER 325 CO 0.49 -0.68 0.26 0.59 1.20 0.00 0.00 173.24 175.10 3d12 n ASN 326 N 6.09 -4.52 -3.88 5.45 5.03 -1.26 -4.99 115.26 117.18 3d12 n ASN 326 Ca -0.02 -0.13 -0.36 0.00 0.87 0.00 0.00 54.58 54.94 3d12 n ASN 326 Cb 0.48 -3.50 -0.04 0.00 -1.02 0.00 0.00 39.78 35.70 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 -1.18 4.69 0.00 7.41 0.00 -1.26 -5.00 105.19 109.86 3d12 n GLY 327 Ca -0.11 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.24 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 1.54 -1.93 0.26 -0.02 0.00 -1.26 -1.83 105.19 101.96 3d12 n GLY 328 Ca 0.26 0.38 0.16 0.00 0.00 0.00 0.00 46.02 46.81 3d12 n GLY 328 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d12 h GLY 329 N 0.00 0.00 0.78 -0.02 0.00 -1.95 -3.15 103.07 98.74 3d12 h GLY 329 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3d12 h GLY 329 CO 0.00 0.00 -0.38 -1.82 0.00 0.00 0.00 176.54 174.34 3d12 h TYR 330 N 0.00 -0.97 -0.28 5.60 3.20 -1.77 -3.36 116.97 119.39 3d12 h TYR 330 Ca -0.00 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.89 3d12 h TYR 330 Cb 0.63 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 39.14 3d12 h TYR 330 CO 0.00 -0.61 -0.52 -0.91 -1.64 0.00 0.00 178.16 174.49 3d12 h ASN 331 N -1.24 -1.68 -3.15 -2.11 2.35 -1.41 -3.37 115.58 104.97 3d12 h ASN 331 Ca -0.11 0.22 -0.45 0.00 -0.55 0.00 0.00 56.30 55.41 3d12 h ASN 331 Cb 0.81 0.68 -0.40 0.00 0.05 0.00 0.00 38.32 39.46 3d12 h ASN 331 CO 0.18 -0.43 -0.75 -1.10 -1.65 0.00 0.00 177.43 173.67 3d12 s GLN 332 N -5.73 0.19 0.14 0.81 -0.21 -1.20 -1.67 119.66 111.99 3d12 s GLN 332 Ca -0.15 -0.06 0.06 0.00 0.02 0.00 0.00 55.36 55.24 3d12 s GLN 332 Cb 0.09 -1.61 -0.04 0.00 1.00 0.00 0.00 33.01 32.45 3d12 s GLN 332 CO 0.62 -0.58 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.49 3d12 s HIS 333 N 2.08 1.46 -0.12 0.91 2.46 -0.50 -4.64 115.29 116.95 3d12 s HIS 333 Ca 0.02 -0.58 -0.04 0.00 0.47 0.00 0.00 55.06 54.93 3d12 s HIS 333 Cb -0.15 -0.74 0.06 0.00 -0.13 0.00 0.00 32.58 31.61 3d12 s HIS 333 CO -0.08 0.18 0.23 -0.65 -2.47 0.00 0.00 174.74 171.96 3d12 s GLN 334 N -2.96 0.11 0.45 2.88 -0.21 -1.26 0.61 119.66 119.28 3d12 s GLN 334 Ca 0.12 0.69 -0.09 0.00 0.02 0.00 0.00 55.36 56.10 3d12 s GLN 334 Cb -0.03 -0.11 -0.05 0.00 1.00 0.00 0.00 33.01 33.82 3d12 s GLN 334 CO 0.03 -0.29 0.81 -1.17 -2.12 0.00 0.00 175.29 172.55 3d12 s LEU 335 N 2.36 3.70 0.25 2.90 2.96 -1.18 -5.00 118.68 124.68 3d12 s LEU 335 Ca 0.02 1.10 0.20 0.00 -0.22 0.00 0.00 54.13 55.23 3d12 s LEU 335 Cb -0.12 -4.03 0.08 0.00 0.50 0.00 0.00 46.19 42.62 3d12 s LEU 335 CO -0.08 -0.51 1.24 0.00 -1.32 0.00 0.00 176.35 175.69 3d12 h ALA 336 N 0.76 0.70 -3.47 5.97 0.00 -1.90 -3.03 119.26 118.30 3d12 h ALA 336 Ca -0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3d12 h ALA 336 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3d12 h ALA 336 CO 0.63 0.33 -0.14 1.28 0.00 0.00 0.00 179.25 181.35 3d12 n LEU 337 N -2.96 -3.26 0.00 0.00 7.99 -1.26 -4.40 117.00 113.11 3d12 n LEU 337 Ca -0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 3d12 n LEU 337 Cb 0.65 -1.50 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 3d12 n LEU 337 CO 0.39 -0.55 0.05 0.54 -1.51 0.00 0.00 177.39 176.31 3d12 n ARG 338 N -0.28 0.00 -3.41 3.23 1.74 -1.26 -4.82 116.66 111.85 3d12 n ARG 338 Ca 0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 3d12 n ARG 338 Cb 0.07 -0.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.94 3d12 n ARG 338 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3d12 s SER 339 N -1.76 6.76 -0.15 0.55 1.04 -1.26 -5.07 113.70 113.81 3d12 s SER 339 Ca 0.00 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3d12 s SER 339 Cb 0.00 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.88 3d12 s SER 339 CO 0.00 0.19 -0.12 -0.63 0.98 0.00 0.00 173.24 173.66 3d12 s ILE 340 N -0.36 1.49 -0.63 -1.02 1.01 -1.26 -3.05 121.20 117.37 3d12 s ILE 340 Ca 0.25 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 60.01 3d12 s ILE 340 Cb -0.16 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 40.91 3d12 s ILE 340 CO 0.12 0.37 0.96 -1.61 0.00 0.00 0.00 174.94 174.78 3d12 s GLU 341 N 1.51 3.16 0.00 2.79 2.02 0.15 -4.86 118.70 123.48 3d12 s GLU 341 Ca 0.04 -0.68 0.11 0.00 0.02 0.00 0.00 54.97 54.45 3d12 s GLU 341 Cb -0.14 -4.18 0.08 0.00 0.10 0.00 0.00 34.13 29.99 3d12 s GLU 341 CO -0.10 -1.73 0.84 0.36 0.02 0.00 0.00 175.26 174.65 3d12 n LYS 342 N 7.66 0.72 0.00 1.61 2.85 -1.26 -1.15 118.16 128.58 3d12 n LYS 342 Ca -0.02 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.11 3d12 n LYS 342 Cb 0.46 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.67 3.52 0.30 2.58 0.00 -1.26 -1.48 105.19 109.51 3d12 n GLY 343 Ca 0.06 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.21 3d12 n GLY 343 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d12 h ARG 344 N 0.00 0.00 -6.99 1.61 3.08 -1.99 -3.45 114.38 106.64 3d12 h ARG 344 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3d12 h ARG 344 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 3d12 h ARG 344 CO 0.00 0.00 0.43 0.71 -1.07 0.00 0.00 179.97 180.04 3d12 s TYR 345 N -3.82 3.11 -0.13 3.04 2.02 -0.55 -4.84 117.35 116.17 3d12 s TYR 345 Ca -0.01 1.60 -0.25 0.00 -0.37 0.00 0.00 57.07 58.04 3d12 s TYR 345 Cb 0.10 -3.20 -0.22 0.00 -0.40 0.00 0.00 41.96 38.24 3d12 s TYR 345 CO 0.50 -0.93 0.66 0.22 -1.57 0.00 0.00 175.55 174.42 3d12 h ASP 346 N 2.26 0.00 -3.24 2.29 -0.00 -1.31 -3.45 116.42 112.97 3d12 h ASP 346 Ca -0.49 -0.86 -0.44 0.00 -0.00 0.00 0.00 57.03 55.24 3d12 h ASP 346 Cb 1.23 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.41 3d12 h ASP 346 CO 0.61 0.93 -0.73 -0.54 -0.00 0.00 0.00 179.24 179.52 3d12 s LYS 347 N -2.13 1.33 -0.09 0.28 1.02 -1.19 -5.03 119.74 113.95 3d12 s LYS 347 Ca -0.16 -1.60 -0.07 0.00 0.02 0.00 0.00 55.97 54.15 3d12 s LYS 347 Cb -0.03 -1.08 0.03 0.00 -0.52 0.00 0.00 37.83 36.23 3d12 s LYS 347 CO 0.59 0.16 0.22 0.54 -0.92 0.00 0.00 175.35 175.95 3d12 s VAL 348 N -3.01 -0.01 0.11 3.17 0.11 -1.26 -0.70 120.40 118.82 3d12 s VAL 348 Ca 0.23 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 3d12 s VAL 348 Cb 0.00 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3d12 s VAL 348 CO 0.07 0.01 0.36 0.00 -3.33 0.00 0.00 175.10 172.21 3d12 s MET 349 N 0.30 1.01 0.36 1.54 0.00 -0.71 -4.93 119.30 116.86 3d12 s MET 349 Ca -0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 55.69 54.67 3d12 s MET 349 Cb -0.03 0.44 -0.10 0.00 0.00 0.00 0.00 34.83 35.14 3d12 s MET 349 CO -0.01 -0.38 1.31 -1.25 0.00 0.00 0.00 175.02 174.69 3d12 s PRO 350 N -3.70 4.23 -0.44 3.16 0.04 -1.26 -0.09 135.00 136.93 3d12 s PRO 350 Ca 0.03 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.32 3d12 s PRO 350 Cb 0.02 -2.97 0.17 0.00 0.04 0.00 0.00 34.50 31.77 3d12 s PRO 350 CO -0.11 -0.29 0.48 -0.47 0.04 0.00 0.00 177.00 176.65 3d12 s TYR 351 N -1.18 -0.07 0.00 0.56 5.04 0.40 -4.71 117.35 117.39 3d12 s TYR 351 Ca 0.51 -1.48 0.00 0.00 -2.44 0.00 0.00 57.07 53.66 3d12 s TYR 351 Cb -0.39 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.51 3d12 s TYR 351 CO 0.52 -1.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 3d12 n GLY 352 N 3.11 3.74 0.28 8.97 0.00 -1.25 -0.46 105.19 119.58 3d12 n GLY 352 Ca 0.23 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 0.96 -2.07 1.61 0.11 -1.79 -3.36 132.00 127.46 3d12 h PRO 353 Ca 0.00 -0.33 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3d12 h PRO 353 Cb 0.00 -0.07 -0.19 0.00 0.11 0.00 0.00 31.00 30.85 3d12 h PRO 353 CO 0.00 1.00 0.28 -1.54 -0.21 0.00 0.00 178.00 177.52 3d12 s SER 354 N -6.51 -0.58 0.00 -2.05 1.04 -1.26 -1.19 113.70 103.15 3d12 s SER 354 Ca -0.12 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.83 3d12 s SER 354 Cb 0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3d12 s SER 354 CO 0.84 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 175.07 3d12 n GLY 355 N 0.64 5.87 3.47 7.32 0.00 -0.81 -2.33 105.19 119.34 3d12 n GLY 355 Ca -0.17 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 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 0.66 1.12 0.05 -0.61 -4.36 -0.65 -4.70 121.20 112.71 3d12 s ILE 356 Ca 0.00 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.47 3d12 s ILE 356 Cb 0.00 -2.73 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 3d12 s ILE 356 CO 0.00 0.00 -0.23 -1.59 0.24 0.00 0.00 174.94 173.36 3d12 s LYS 357 N -3.87 1.52 -0.24 0.37 -2.85 -1.26 -0.31 119.74 113.11 3d12 s LYS 357 Ca 0.34 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 3d12 s LYS 357 Cb 0.08 -1.69 0.06 0.00 -2.06 0.00 0.00 37.83 34.22 3d12 s LYS 357 CO 0.15 0.43 -0.02 -1.14 0.10 0.00 0.00 175.35 174.87 3d12 s GLN 358 N -1.28 1.38 6.40 1.78 2.00 -0.17 -5.00 119.66 124.77 3d12 s GLN 358 Ca 0.09 -0.93 0.00 0.00 -2.00 0.00 0.00 55.36 52.52 3d12 s GLN 358 Cb -0.09 -2.49 0.00 0.00 0.80 0.00 0.00 33.01 31.23 3d12 s GLN 358 CO 0.02 -0.65 0.00 0.41 -0.50 0.00 0.00 175.29 174.57 3d12 n GLY 359 N 4.73 1.93 0.30 2.59 0.00 -1.26 -1.16 105.19 112.32 3d12 n GLY 359 Ca -0.10 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 11.36 2.68 -4.67 1.61 8.00 -1.26 -4.97 116.55 129.30 3d12 n ASP 360 Ca 0.00 -2.71 -0.35 0.00 0.71 0.00 0.00 54.79 52.44 3d12 n ASP 360 Cb 0.00 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.24 5.15 -0.09 -3.53 2.01 -0.31 -0.50 115.64 116.13 3d12 s THR 361 Ca 0.26 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 3d12 s THR 361 Cb 0.21 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 3d12 s THR 361 CO 0.05 0.43 0.16 -0.76 -0.69 0.00 0.00 174.62 173.81 3d12 s LEU 362 N 0.53 4.39 -0.32 4.42 1.43 0.14 -1.00 118.68 128.27 3d12 s LEU 362 Ca 0.06 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3d12 s LEU 362 Cb -0.12 -2.23 0.10 0.00 0.03 0.00 0.00 46.19 43.96 3d12 s LEU 362 CO 0.00 0.37 0.07 -0.31 0.23 0.00 0.00 176.35 176.71 3d12 s TYR 363 N -1.11 2.76 0.20 0.29 1.51 0.58 -0.38 117.35 121.20 3d12 s TYR 363 Ca 0.19 -2.38 -0.15 0.00 -1.01 0.00 0.00 57.07 53.71 3d12 s TYR 363 Cb -0.12 -2.32 -0.08 0.00 -0.11 0.00 0.00 41.96 39.33 3d12 s TYR 363 CO 0.08 -0.91 0.63 -0.06 -1.11 0.00 0.00 175.55 174.18 3d12 s PHE 364 N 1.25 3.57 0.25 2.71 0.08 -0.67 -1.64 117.98 123.52 3d12 s PHE 364 Ca 0.10 1.16 -0.30 0.00 0.12 0.00 0.00 56.93 58.01 3d12 s PHE 364 Cb -0.18 -2.46 -0.10 0.00 -0.57 0.00 0.00 43.02 39.71 3d12 s PHE 364 CO -0.16 0.34 1.40 -2.14 -0.10 0.00 0.00 175.22 174.56 3d12 s PRO 365 N -2.19 4.30 0.18 0.24 0.02 -1.26 -1.10 135.00 135.17 3d12 s PRO 365 Ca 0.43 2.25 -0.06 0.00 0.02 0.00 0.00 61.00 63.63 3d12 s PRO 365 Cb -0.14 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3d12 s PRO 365 CO 0.20 -0.37 0.24 0.00 -0.33 0.00 0.00 177.00 176.74 3d12 s ALA 366 N -0.11 0.35 0.05 -1.55 0.00 -0.31 -0.45 121.76 119.74 3d12 s ALA 366 Ca 0.58 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 51.45 3d12 s ALA 366 Cb -0.41 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 3d12 s ALA 366 CO 0.43 -0.63 -0.16 0.54 0.00 0.00 0.00 175.76 175.94 3d12 s VAL 367 N -4.03 1.31 -0.16 0.00 0.11 0.87 0.74 120.40 119.25 3d12 s VAL 367 Ca 0.23 -1.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.07 3d12 s VAL 367 Cb 0.04 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 3d12 s VAL 367 CO 0.04 0.01 0.02 -0.83 -3.33 0.00 0.00 175.10 171.01 3d12 s GLY 368 N -1.34 1.84 -0.51 6.54 0.00 0.49 -1.74 107.32 112.61 3d12 s GLY 368 Ca 0.03 -0.77 -0.23 0.00 0.00 0.00 0.00 44.72 43.75 3d12 s GLY 368 CO 0.02 -0.06 0.83 -1.36 0.00 0.00 0.00 173.10 172.54 3d12 s PHE 369 N 0.22 2.91 -0.16 1.90 0.08 0.12 -0.83 117.98 122.22 3d12 s PHE 369 Ca 0.02 -0.04 -0.05 0.00 0.12 0.00 0.00 56.93 56.97 3d12 s PHE 369 Cb -0.13 -3.84 -0.03 0.00 -0.57 0.00 0.00 43.02 38.45 3d12 s PHE 369 CO 0.01 -1.17 0.01 -1.17 -0.10 0.00 0.00 175.22 172.80 3d12 s LEU 370 N 3.50 3.56 0.09 -0.37 2.96 -0.48 -0.89 118.68 127.05 3d12 s LEU 370 Ca 0.28 0.01 -0.34 0.00 -0.22 0.00 0.00 54.13 53.86 3d12 s LEU 370 Cb -0.13 -1.87 -0.13 0.00 0.50 0.00 0.00 46.19 44.55 3d12 s LEU 370 CO 0.19 0.21 1.65 0.52 -1.32 0.00 0.00 176.35 177.60 3d12 n VAL 371 N 3.30 0.16 -0.31 1.68 0.31 -1.26 0.46 118.33 122.66 3d12 n VAL 371 Ca -0.17 -0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.17 3d12 n VAL 371 Cb 0.53 -1.60 0.23 0.00 -0.91 0.00 0.00 33.84 32.09 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 6.74 1.01 0.00 5.55 2.43 -1.03 -0.67 114.38 128.42 3d12 h ARG 372 Ca -0.46 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3d12 h ARG 372 Cb 1.26 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3d12 h ARG 372 CO 0.90 0.67 0.00 0.25 -1.51 0.00 0.00 179.97 180.28 3d12 n THR 373 N -4.49 0.72 0.69 0.20 -2.24 -1.26 -2.12 114.28 105.77 3d12 n THR 373 Ca 0.14 0.17 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 3d12 n THR 373 Cb 0.20 -0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 67.55 3d12 n THR 373 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d12 n GLU 374 N -1.60 1.76 -1.68 -0.78 1.02 -0.29 -4.98 120.64 114.10 3d12 n GLU 374 Ca 0.04 -0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 56.09 3d12 n GLU 374 Cb 0.23 -1.25 0.04 0.00 -0.02 0.00 0.00 31.44 30.44 3d12 n GLU 374 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3d12 n PHE 375 N -0.26 1.60 -3.97 -0.32 7.35 -0.90 -4.98 117.46 115.98 3d12 n PHE 375 Ca 0.06 0.45 -0.31 0.00 -0.76 0.00 0.00 57.45 56.89 3d12 n PHE 375 Cb 0.31 -2.26 -0.15 0.00 0.35 0.00 0.00 39.48 37.73 3d12 n PHE 375 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 3d12 s LYS 376 N -2.74 1.45 -0.14 -4.13 0.00 -1.26 -5.08 119.74 107.85 3d12 s LYS 376 Ca 0.72 -1.62 -0.05 0.00 0.00 0.00 0.00 55.97 55.02 3d12 s LYS 376 Cb -0.44 -2.93 0.07 0.00 0.00 0.00 0.00 37.83 34.53 3d12 s LYS 376 CO 0.49 -0.88 0.29 -0.47 0.00 0.00 0.00 175.35 174.78 3d12 s TYR 377 N 1.08 -0.48 -0.71 1.78 5.04 -1.26 -5.09 117.35 117.70 3d12 s TYR 377 Ca 0.07 1.05 -0.26 0.00 -2.44 0.00 0.00 57.07 55.50 3d12 s TYR 377 Cb -0.19 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.19 3d12 s TYR 377 CO -0.10 -0.36 1.21 1.21 -1.34 0.00 0.00 175.55 176.16 3d12 s ASN 378 N 2.31 6.19 0.57 4.32 3.84 -1.26 -4.90 114.94 126.02 3d12 s ASN 378 Ca -0.01 -0.49 0.36 0.00 0.21 0.00 0.00 52.86 52.94 3d12 s ASN 378 Cb -0.12 -2.53 1.44 0.00 -0.55 0.00 0.00 41.25 39.49 3d12 s ASN 378 CO -0.09 -1.72 1.66 0.44 -2.79 0.00 0.00 177.10 174.59 3d12 h ASP 379 N 9.89 0.00 0.00 -4.21 3.32 -1.99 0.28 116.42 123.71 3d12 h ASP 379 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3d12 h ASP 379 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3d12 h ASP 379 CO 1.25 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 177.23 3d12 n SER 380 N -3.83 0.00 0.03 6.45 3.41 -1.26 -1.98 113.62 116.45 3d12 n SER 380 Ca 0.26 -0.73 0.13 0.00 -0.26 0.00 0.00 58.87 58.27 3d12 n SER 380 Cb 1.38 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 65.68 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 -0.98 0.47 -4.65 4.04 3.02 0.99 -4.82 115.26 113.35 3d12 n ASN 381 Ca 0.16 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.45 3d12 n ASN 381 Cb 0.07 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 3d12 n ASN 381 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d12 s PRO 383 N 4.33 3.20 -0.01 0.00 0.02 -1.26 -4.75 135.00 136.53 3d12 s PRO 383 Ca 0.72 -0.67 0.18 0.00 0.02 0.00 0.00 61.00 61.25 3d12 s PRO 383 Cb -0.29 -5.06 -0.24 0.00 0.02 0.00 0.00 34.50 28.93 3d12 s PRO 383 CO 0.29 -2.54 0.58 -0.89 -0.33 0.00 0.00 177.00 174.10 3d12 n ILE 384 N 7.10 0.00 -0.29 2.83 -0.00 -1.26 -4.53 119.36 123.21 3d12 n ILE 384 Ca 0.30 -0.25 0.28 0.00 -0.00 0.00 0.00 62.75 63.08 3d12 n ILE 384 Cb 0.50 0.54 0.50 0.00 -0.00 0.00 0.00 39.64 41.18 3d12 n ILE 384 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3d12 n THR 385 N -1.77 -0.31 -0.69 1.39 -2.24 -1.26 0.14 114.28 109.53 3d12 n THR 385 Ca 0.00 1.63 0.07 0.00 -2.27 0.00 0.00 64.05 63.48 3d12 n THR 385 Cb 0.37 -2.65 0.19 0.00 -2.10 0.00 0.00 70.33 66.14 3d12 n THR 385 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d12 n LYS 386 N -4.75 2.69 -3.92 -0.78 4.76 -1.26 -4.92 118.16 109.98 3d12 n LYS 386 Ca 0.32 -2.47 -0.31 0.00 -2.87 0.00 0.00 58.31 52.98 3d12 n LYS 386 Cb 1.11 -1.56 -0.13 0.00 -1.84 0.00 0.00 35.03 32.61 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 -0.14 4.36 0.00 0.00 -2.07 -1.26 -2.29 119.66 118.26 3d12 s GLN 388 Ca 0.16 2.20 0.00 0.00 -1.82 0.00 0.00 55.36 55.90 3d12 s GLN 388 Cb -0.24 -3.08 0.00 0.00 -1.09 0.00 0.00 33.01 28.59 3d12 s GLN 388 CO -0.01 -0.19 0.00 0.66 -1.32 0.00 0.00 175.29 174.43 3d12 n TYR 389 N 1.00 0.00 -3.55 9.60 0.53 -1.26 -5.05 117.16 118.43 3d12 n TYR 389 Ca 0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.52 3d12 n TYR 389 Cb 0.42 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.66 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 -2.85 6.54 0.05 7.72 0.01 -0.97 -5.04 113.70 119.16 3d12 s SER 390 Ca 0.00 0.64 0.05 0.00 1.31 0.00 0.00 55.95 57.95 3d12 s SER 390 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3d12 s SER 390 CO 0.00 0.19 -0.06 -0.54 0.41 0.00 0.00 173.24 173.24 3d12 s LYS 391 N -0.09 2.43 0.59 12.44 1.02 -1.26 -4.99 119.74 129.88 3d12 s LYS 391 Ca 0.19 -0.84 0.30 0.00 0.02 0.00 0.00 55.97 55.64 3d12 s LYS 391 Cb -0.14 -2.45 1.73 0.00 -0.52 0.00 0.00 37.83 36.45 3d12 s LYS 391 CO 0.07 0.56 2.15 -1.00 -0.92 0.00 0.00 175.35 176.21 3d12 h PRO 392 N 4.01 0.00 0.00 -1.68 0.13 -1.89 -0.30 132.00 132.28 3d12 h PRO 392 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3d12 h PRO 392 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3d12 h PRO 392 CO 0.55 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.47 3d12 n GLU 393 N -3.77 0.12 -0.11 0.86 0.28 -1.26 -4.08 120.64 112.68 3d12 n GLU 393 Ca 0.00 0.22 -0.05 0.00 -0.16 0.00 0.00 57.16 57.18 3d12 n GLU 393 Cb 0.25 -1.68 0.02 0.00 1.43 0.00 0.00 31.44 31.46 3d12 n GLU 393 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3d12 h ASN 394 N 0.00 -0.17 -0.15 -1.84 2.35 -1.38 -2.11 115.58 112.28 3d12 h ASN 394 Ca 0.00 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3d12 h ASN 394 Cb 0.48 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3d12 h ASN 394 CO 0.00 -0.05 0.07 0.00 -1.65 0.00 0.00 177.43 175.80 3d12 h ARG 396 N 0.10 0.53 0.00 0.00 2.43 -1.78 -2.22 114.38 113.43 3d12 h ARG 396 Ca 0.05 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3d12 h ARG 396 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3d12 h ARG 396 CO -0.01 0.49 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.57 3d12 h LEU 397 N 0.52 0.00 -0.64 3.80 3.38 -1.14 -3.21 115.31 118.03 3d12 h LEU 397 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3d12 h LEU 397 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d12 h LEU 397 CO -0.00 0.30 0.00 -1.20 0.09 0.00 0.00 178.44 177.63 3d12 n SER 398 N -3.17 0.98 -0.04 -0.43 7.64 -0.30 -3.75 113.62 114.55 3d12 n SER 398 Ca 0.03 -1.43 0.14 0.00 1.01 0.00 0.00 58.87 58.61 3d12 n SER 398 Cb 0.65 -0.03 0.57 0.00 -1.01 0.00 0.00 64.21 64.40 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 -0.20 0.32 -4.46 1.43 2.81 -1.13 -4.39 117.12 111.49 3d12 n MET 399 Ca 0.19 -0.09 -0.23 0.00 -1.81 0.00 0.00 57.70 55.76 3d12 n MET 399 Cb 0.25 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.16 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 -2.74 1.87 0.62 3.03 0.00 -1.25 -0.66 107.32 108.19 3d12 s GLY 400 Ca 0.21 -1.89 0.34 0.00 0.00 0.00 0.00 44.72 43.38 3d12 s GLY 400 CO 0.53 -1.95 2.25 0.16 0.00 0.00 0.00 173.10 174.09 3d12 h ILE 401 N 2.27 0.35 -3.98 0.90 3.07 -1.87 -3.41 117.51 114.84 3d12 h ILE 401 Ca -0.40 0.00 -0.23 0.00 1.55 0.00 0.00 64.86 65.78 3d12 h ILE 401 Cb 1.25 0.96 -0.15 0.00 -0.27 0.00 0.00 36.82 38.61 3d12 h ILE 401 CO 0.62 0.00 -0.67 -0.13 -1.05 0.00 0.00 178.15 176.92 3d12 s ARG 402 N -4.48 0.95 0.59 0.16 0.52 -1.26 -4.62 118.95 110.80 3d12 s ARG 402 Ca -0.05 -1.43 0.38 0.00 -0.52 0.00 0.00 55.73 54.11 3d12 s ARG 402 Cb 0.14 -0.09 1.75 0.00 0.52 0.00 0.00 34.95 37.28 3d12 s ARG 402 CO 0.50 -0.13 2.12 -1.35 0.02 0.00 0.00 175.30 176.46 3d12 h PRO 403 N 2.85 0.00 -0.18 3.54 0.11 -1.81 -2.59 132.00 133.92 3d12 h PRO 403 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3d12 h PRO 403 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3d12 h PRO 403 CO 0.63 0.00 -0.01 0.09 -0.21 0.00 0.00 178.00 178.49 3d12 n ASN 404 N -3.07 3.28 -4.72 -2.05 3.02 -1.26 -4.95 115.26 105.50 3d12 n ASN 404 Ca -0.01 -3.12 -0.39 0.00 -0.03 0.00 0.00 54.58 51.04 3d12 n ASN 404 Cb 0.22 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 38.91 3d12 n ASN 404 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3d12 n SER 405 N -0.85 2.34 0.13 6.41 3.41 -0.98 -4.90 113.62 119.18 3d12 n SER 405 Ca 0.21 0.95 -0.02 0.00 -0.26 0.00 0.00 58.87 59.76 3d12 n SER 405 Cb 0.83 -1.54 0.20 0.00 -0.26 0.00 0.00 64.21 63.44 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 1.28 0.10 -1.92 7.33 2.76 -1.95 -3.44 115.15 119.30 3d12 h HIS 406 Ca -0.50 -0.04 -0.54 0.00 -2.20 0.00 0.00 60.37 57.09 3d12 h HIS 406 Cb 1.32 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 30.18 3d12 h HIS 406 CO 0.44 0.61 -0.55 0.71 -1.30 0.00 0.00 177.93 177.84 3d12 s TYR 407 N -3.82 2.72 0.28 5.26 1.51 -1.26 -0.45 117.35 121.60 3d12 s TYR 407 Ca -0.03 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 55.78 3d12 s TYR 407 Cb 0.13 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3d12 s TYR 407 CO 0.76 0.37 0.00 0.96 -1.11 0.00 0.00 175.55 176.54 3d12 s ILE 408 N -2.40 3.26 -0.23 2.71 -5.25 0.17 -4.49 121.20 114.97 3d12 s ILE 408 Ca 0.37 -1.92 -0.07 0.00 -0.99 0.00 0.00 60.65 58.04 3d12 s ILE 408 Cb -0.03 -2.82 -0.03 0.00 2.95 0.00 0.00 42.46 42.53 3d12 s ILE 408 CO 0.22 -0.34 0.05 -0.76 -1.79 0.00 0.00 174.94 172.33 3d12 s LEU 409 N -3.69 3.41 -0.24 0.37 1.43 0.17 -1.38 118.68 118.75 3d12 s LEU 409 Ca 0.32 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3d12 s LEU 409 Cb -0.05 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3d12 s LEU 409 CO 0.20 0.01 -0.02 -0.60 0.23 0.00 0.00 176.35 176.17 3d12 s ARG 410 N 1.35 3.16 0.75 1.70 6.06 -0.01 -1.07 118.95 130.89 3d12 s ARG 410 Ca 0.05 -0.78 -0.12 0.00 -2.50 0.00 0.00 55.73 52.38 3d12 s ARG 410 Cb -0.15 -3.08 0.05 0.00 0.06 0.00 0.00 34.95 31.83 3d12 s ARG 410 CO 0.03 -0.31 1.10 -1.12 -2.50 0.00 0.00 175.30 172.50 3d12 s SER 411 N 1.44 4.54 0.00 -2.12 0.01 -1.26 0.19 113.70 116.49 3d12 s SER 411 Ca 0.03 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.21 3d12 s SER 411 Cb -0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3d12 s SER 411 CO -0.02 -2.01 0.00 0.61 0.41 0.00 0.00 173.24 172.22 3d12 n GLY 412 N -0.88 0.99 3.25 3.44 0.00 0.23 -1.04 105.19 111.18 3d12 n GLY 412 Ca 0.10 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 2.39 -0.29 0.99 1.43 0.11 -1.16 118.68 122.14 3d12 s LEU 413 Ca 0.00 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.23 3d12 s LEU 413 Cb 0.00 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 3d12 s LEU 413 CO 0.00 -0.11 0.11 -0.76 0.23 0.00 0.00 176.35 175.82 3d12 s LEU 414 N -2.37 3.87 0.10 1.79 1.43 -0.26 -0.37 118.68 122.87 3d12 s LEU 414 Ca 0.08 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 3d12 s LEU 414 Cb -0.06 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.15 3d12 s LEU 414 CO 0.03 -0.16 0.63 -0.75 0.23 0.00 0.00 176.35 176.34 3d12 s LYS 415 N 1.57 4.30 -0.31 1.70 2.20 0.50 -1.68 119.74 128.03 3d12 s LYS 415 Ca 0.04 0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 56.50 3d12 s LYS 415 Cb -0.17 -3.23 0.13 0.00 -1.51 0.00 0.00 37.83 33.06 3d12 s LYS 415 CO 0.04 0.61 0.27 -0.47 -0.36 0.00 0.00 175.35 175.45 3d12 s TYR 416 N -1.14 -0.21 -0.18 4.03 5.04 0.49 -1.51 117.35 123.87 3d12 s TYR 416 Ca 0.31 -0.51 -0.29 0.00 -2.44 0.00 0.00 57.07 54.15 3d12 s TYR 416 Cb -0.20 -0.56 -0.00 0.00 0.35 0.00 0.00 41.96 41.54 3d12 s TYR 416 CO 0.21 -0.91 1.00 1.21 -1.34 0.00 0.00 175.55 175.72 3d12 s ASN 417 N 2.07 7.13 0.21 4.32 3.84 -1.26 -0.68 114.94 130.57 3d12 s ASN 417 Ca 0.11 1.41 0.04 0.00 0.21 0.00 0.00 52.86 54.62 3d12 s ASN 417 Cb -0.15 -2.53 0.15 0.00 -0.55 0.00 0.00 41.25 38.16 3d12 s ASN 417 CO -0.26 -0.56 1.49 -0.07 -2.79 0.00 0.00 177.10 174.91 3d12 h LEU 418 N 8.80 0.26 0.00 3.21 3.38 -1.17 -3.16 115.31 126.63 3d12 h LEU 418 Ca -0.25 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3d12 h LEU 418 Cb 1.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3d12 h LEU 418 CO 0.92 0.89 0.00 -1.54 0.09 0.00 0.00 178.44 178.79 3d12 n SER 419 N -3.79 0.00 -3.40 -0.43 3.41 -1.26 -4.34 113.62 103.81 3d12 n SER 419 Ca -0.03 -1.70 -0.37 0.00 -0.26 0.00 0.00 58.87 56.52 3d12 n SER 419 Cb 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.56 6.55 0.00 4.04 2.03 -1.20 -5.02 116.55 122.39 3d12 n ASP 420 Ca 0.03 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.64 3d12 n ASP 420 Cb 0.01 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 -0.14 -2.28 0.42 0.27 0.00 -1.26 -3.49 105.19 98.71 3d12 n GLY 421 Ca 0.43 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.93 3d12 n GLY 421 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d12 n GLU 422 N -0.24 1.14 -3.16 1.61 4.71 -1.26 -4.37 120.64 119.08 3d12 n GLU 422 Ca 0.00 -0.85 -0.23 0.00 -0.01 0.00 0.00 57.16 56.07 3d12 n GLU 422 Cb 0.00 -1.48 -0.05 0.00 -1.01 0.00 0.00 31.44 28.90 3d12 n GLU 422 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3d12 n ASN 423 N -0.19 2.25 -4.64 1.62 0.23 -1.26 -5.09 115.26 108.18 3d12 n ASN 423 Ca 0.11 -3.22 -0.30 0.00 -0.53 0.00 0.00 54.58 50.64 3d12 n ASN 423 Cb 0.42 -0.62 0.18 0.00 -2.08 0.00 0.00 39.78 37.68 3d12 n ASN 423 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 3d12 s PRO 424 N -2.49 0.67 -0.27 -0.53 0.02 -1.23 -4.88 135.00 126.30 3d12 s PRO 424 Ca 0.42 1.20 -0.09 0.00 0.02 0.00 0.00 61.00 62.54 3d12 s PRO 424 Cb 0.26 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 33.03 3d12 s PRO 424 CO -0.09 -2.75 0.13 0.21 -0.33 0.00 0.00 177.00 174.17 3d12 s LYS 425 N -4.68 3.79 -0.02 5.54 2.20 -1.26 -4.70 119.74 120.61 3d12 s LYS 425 Ca 0.66 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 3d12 s LYS 425 Cb -0.22 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3d12 s LYS 425 CO 0.59 -0.20 1.04 0.14 -0.36 0.00 0.00 175.35 176.57 3d12 s VAL 426 N 1.69 4.67 -0.09 4.02 -7.23 -1.17 -4.28 120.40 118.00 3d12 s VAL 426 Ca 0.07 1.93 0.02 0.00 -1.81 0.00 0.00 61.98 62.19 3d12 s VAL 426 Cb -0.16 -4.24 0.01 0.00 0.56 0.00 0.00 36.38 32.56 3d12 s VAL 426 CO 0.07 0.10 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.12 3d12 s VAL 427 N 1.36 1.47 -0.12 1.32 1.01 -0.57 0.34 120.40 125.21 3d12 s VAL 427 Ca 0.52 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 3d12 s VAL 427 Cb -0.22 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3d12 s VAL 427 CO 0.25 0.43 0.67 0.12 0.00 0.00 0.00 175.10 176.58 3d12 s PHE 428 N 0.80 3.50 -0.26 5.22 5.36 -0.30 -0.37 117.98 131.93 3d12 s PHE 428 Ca -0.11 1.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.93 3d12 s PHE 428 Cb -0.16 -2.80 -0.00 0.00 -0.34 0.00 0.00 43.02 39.72 3d12 s PHE 428 CO 0.02 -0.01 0.03 0.42 -1.46 0.00 0.00 175.22 174.21 3d12 s ILE 429 N 1.24 3.77 0.56 3.12 1.01 0.50 -4.89 121.20 126.51 3d12 s ILE 429 Ca 0.34 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 3d12 s ILE 429 Cb -0.17 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 3d12 s ILE 429 CO 0.14 0.25 1.01 -1.83 0.00 0.00 0.00 174.94 174.51 3d12 s GLU 430 N 1.50 3.71 0.28 2.79 -1.05 -1.26 0.07 118.70 124.75 3d12 s GLU 430 Ca 0.04 0.96 -0.19 0.00 -0.15 0.00 0.00 54.97 55.62 3d12 s GLU 430 Cb -0.16 -2.10 -0.09 0.00 -0.44 0.00 0.00 34.13 31.34 3d12 s GLU 430 CO 0.00 -0.47 0.78 -1.50 0.95 0.00 0.00 175.26 175.03 3d12 s ILE 431 N -2.73 4.53 0.59 1.83 2.07 -0.21 -4.14 121.20 123.14 3d12 s ILE 431 Ca 0.59 1.30 -0.18 0.00 -1.41 0.00 0.00 60.65 60.95 3d12 s ILE 431 Cb -0.11 -3.79 -0.09 0.00 0.13 0.00 0.00 42.46 38.59 3d12 s ILE 431 CO 0.38 0.04 0.35 -0.24 -1.91 0.00 0.00 174.94 173.56 3d12 n SER 432 N 0.28 -1.77 -0.24 4.50 2.88 -0.33 -4.90 113.62 114.04 3d12 n SER 432 Ca 0.01 0.68 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 3d12 n SER 432 Cb 0.52 -1.10 0.57 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.87 0.73 -4.77 -3.46 5.68 -1.26 -4.74 116.55 109.60 3d12 n ASP 433 Ca 0.10 -1.44 -0.40 0.00 -0.50 0.00 0.00 54.79 52.55 3d12 n ASP 433 Cb 0.48 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.42 3d12 n ASP 433 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3d12 s GLN 434 N -1.94 4.20 -0.69 0.11 -1.52 -1.26 -3.35 119.66 115.21 3d12 s GLN 434 Ca 0.35 2.30 -0.18 0.00 -1.95 0.00 0.00 55.36 55.88 3d12 s GLN 434 Cb 0.17 -2.97 0.02 0.00 -0.22 0.00 0.00 33.01 30.02 3d12 s GLN 434 CO 0.28 -0.35 0.40 -2.13 -0.25 0.00 0.00 175.29 173.23 3d12 n ARG 435 N 0.55 -0.61 -2.71 2.91 0.63 -1.26 -4.85 116.66 111.32 3d12 n ARG 435 Ca 0.01 -0.07 -0.41 0.00 -0.92 0.00 0.00 57.85 56.46 3d12 n ARG 435 Cb 0.41 -1.12 -0.04 0.00 0.45 0.00 0.00 32.46 32.17 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 -6.01 4.46 0.22 6.15 2.96 -1.21 -5.06 118.68 120.20 3d12 s LEU 436 Ca 0.24 1.78 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 3d12 s LEU 436 Cb -0.14 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3d12 s LEU 436 CO 0.58 -0.13 0.03 -0.44 -1.32 0.00 0.00 176.35 175.06 3d12 s SER 437 N 0.27 1.47 0.14 3.68 0.01 -1.26 -5.05 113.70 112.96 3d12 s SER 437 Ca 0.49 -1.25 -0.32 0.00 1.31 0.00 0.00 55.95 56.17 3d12 s SER 437 Cb -0.23 0.08 -0.12 0.00 0.21 0.00 0.00 66.02 65.96 3d12 s SER 437 CO 0.30 -0.60 1.75 0.00 0.41 0.00 0.00 173.24 175.10 3d12 n ILE 438 N -0.38 0.19 -1.44 1.44 3.06 -1.26 -4.76 119.36 116.21 3d12 n ILE 438 Ca -0.04 -0.03 -0.56 0.00 -2.50 0.00 0.00 62.75 59.61 3d12 n ILE 438 Cb 0.64 -1.92 -0.08 0.00 0.54 0.00 0.00 39.64 38.82 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 3.97 -0.13 3.28 4.50 0.00 -0.24 -4.71 105.19 111.87 3d12 n GLY 439 Ca 0.18 0.76 -0.09 0.00 0.00 0.00 0.00 46.02 46.86 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 0.80 0.10 -0.23 1.61 1.04 -1.26 -4.87 113.70 110.89 3d12 s SER 440 Ca 0.87 -0.84 -0.40 0.00 0.48 0.00 0.00 55.95 56.06 3d12 s SER 440 Cb -1.22 0.39 -0.17 0.00 0.10 0.00 0.00 66.02 65.12 3d12 s SER 440 CO 0.59 -0.82 1.62 -2.65 0.98 0.00 0.00 173.24 172.96 3d12 n PRO 441 N -0.15 0.95 -4.49 4.02 -0.02 -1.26 -4.59 135.00 129.46 3d12 n PRO 441 Ca -0.10 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 3d12 n PRO 441 Cb 0.63 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 3d12 n PRO 441 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d12 s SER 442 N 2.75 2.66 -0.17 2.55 0.01 0.39 -1.69 113.70 120.20 3d12 s SER 442 Ca 0.96 -1.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.49 3d12 s SER 442 Cb -1.12 0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.65 3d12 s SER 442 CO 0.64 -0.92 0.39 -0.75 0.41 0.00 0.00 173.24 173.02 3d12 s LYS 443 N -3.72 0.33 -0.10 12.44 2.20 -0.21 -3.29 119.74 127.40 3d12 s LYS 443 Ca 0.26 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.72 3d12 s LYS 443 Cb 0.03 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 3d12 s LYS 443 CO 0.15 -0.20 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.40 3d12 s ILE 444 N 1.93 3.94 -0.06 5.43 2.07 -0.99 -0.45 121.20 133.08 3d12 s ILE 444 Ca -0.06 -0.37 -0.16 0.00 -1.41 0.00 0.00 60.65 58.65 3d12 s ILE 444 Cb -0.10 -2.66 0.03 0.00 0.13 0.00 0.00 42.46 39.86 3d12 s ILE 444 CO -0.12 0.57 0.37 -0.72 -1.91 0.00 0.00 174.94 173.13 3d12 s TYR 445 N -0.48 -0.30 -0.22 3.50 -0.85 0.19 -3.69 117.35 115.49 3d12 s TYR 445 Ca 0.08 0.58 -0.26 0.00 -0.52 0.00 0.00 57.07 56.95 3d12 s TYR 445 Cb -0.12 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.36 3d12 s TYR 445 CO 0.02 -0.36 0.91 -0.51 -1.52 0.00 0.00 175.55 174.09 3d12 s ASP 446 N -0.87 6.97 -0.06 -0.18 1.01 -1.26 0.59 116.67 122.86 3d12 s ASP 446 Ca -0.09 1.21 0.01 0.00 0.71 0.00 0.00 52.55 54.38 3d12 s ASP 446 Cb -0.04 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.43 3d12 s ASP 446 CO 0.04 -0.54 -0.07 -0.55 0.21 0.00 0.00 175.17 174.26 3d12 s SER 447 N 1.24 1.46 -1.52 0.27 0.15 -0.75 -4.83 113.70 109.72 3d12 s SER 447 Ca 0.39 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.71 3d12 s SER 447 Cb -0.16 -0.63 0.09 0.00 -1.71 0.00 0.00 66.02 63.61 3d12 s SER 447 CO 0.08 -0.05 0.92 0.18 1.20 0.00 0.00 173.24 175.57 3d12 n LEU 448 N 4.23 -2.42 -0.29 3.45 4.77 0.13 -2.37 117.00 124.50 3d12 n LEU 448 Ca -0.20 -0.73 -0.04 0.00 -0.03 0.00 0.00 56.01 55.01 3d12 n LEU 448 Cb 0.51 -2.51 -0.02 0.00 -2.33 0.00 0.00 43.42 39.07 3d12 n LEU 448 CO 0.22 0.42 -0.04 0.61 -1.33 0.00 0.00 177.39 177.27 3d12 n GLY 449 N -1.63 0.68 3.07 -0.72 0.00 -1.26 -4.72 105.19 100.61 3d12 n GLY 449 Ca 0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.10 0.23 0.45 1.61 0.74 -1.00 -5.15 119.66 114.44 3d12 s GLN 450 Ca 0.00 0.36 -0.24 0.00 0.05 0.00 0.00 55.36 55.53 3d12 s GLN 450 Cb 0.00 0.04 -0.08 0.00 1.10 0.00 0.00 33.01 34.07 3d12 s GLN 450 CO 0.00 -0.07 1.27 -2.14 -0.55 0.00 0.00 175.29 173.79 3d12 s PRO 451 N 0.48 3.76 -0.02 1.67 0.02 -1.26 -1.81 135.00 137.84 3d12 s PRO 451 Ca -0.03 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.06 3d12 s PRO 451 Cb -0.04 -2.56 -0.00 0.00 0.02 0.00 0.00 34.50 31.91 3d12 s PRO 451 CO -0.02 -0.63 -0.11 0.08 -0.33 0.00 0.00 177.00 175.99 3d12 s VAL 452 N -1.36 0.94 -0.08 3.83 1.01 0.20 -1.92 120.40 123.02 3d12 s VAL 452 Ca 0.61 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3d12 s VAL 452 Cb -0.35 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3d12 s VAL 452 CO 0.44 0.28 -0.04 0.12 0.00 0.00 0.00 175.10 175.89 3d12 s PHE 453 N -0.02 3.01 -0.05 5.22 5.36 -0.28 -0.64 117.98 130.59 3d12 s PHE 453 Ca -0.00 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.07 3d12 s PHE 453 Cb -0.07 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 3d12 s PHE 453 CO 0.00 0.37 -0.14 -0.47 -1.46 0.00 0.00 175.22 173.53 3d12 s TYR 454 N -0.81 1.46 -0.12 10.12 5.04 0.40 -1.32 117.35 132.13 3d12 s TYR 454 Ca 0.12 -0.46 0.03 0.00 -2.44 0.00 0.00 57.07 54.32 3d12 s TYR 454 Cb -0.11 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.17 3d12 s TYR 454 CO 0.02 -0.20 -0.22 -1.14 -1.34 0.00 0.00 175.55 172.67 3d12 s GLN 455 N 0.32 3.08 0.51 4.97 0.74 0.48 -1.04 119.66 128.72 3d12 s GLN 455 Ca -0.08 -0.85 -0.23 0.00 0.05 0.00 0.00 55.36 54.25 3d12 s GLN 455 Cb -0.13 -2.38 -0.06 0.00 1.10 0.00 0.00 33.01 31.54 3d12 s GLN 455 CO 0.03 0.13 1.33 0.00 -0.55 0.00 0.00 175.29 176.22 3d12 s ALA 456 N 0.48 2.93 -0.70 1.58 0.00 -0.68 -4.14 121.76 121.23 3d12 s ALA 456 Ca -0.15 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3d12 s ALA 456 Cb -0.17 -3.53 0.18 0.00 0.00 0.00 0.00 23.12 19.60 3d12 s ALA 456 CO 0.06 -1.19 0.65 -1.12 0.00 0.00 0.00 175.76 174.16 3d12 s SER 457 N -0.95 6.49 -0.18 0.00 0.01 -1.26 -4.68 113.70 113.13 3d12 s SER 457 Ca 0.68 -2.31 0.16 0.00 1.31 0.00 0.00 55.95 55.78 3d12 s SER 457 Cb -0.39 -2.20 0.67 0.00 0.21 0.00 0.00 66.02 64.32 3d12 s SER 457 CO 0.47 -0.69 1.59 0.49 0.41 0.00 0.00 173.24 175.50 3d12 n PHE 458 N 4.51 1.48 0.00 2.43 3.01 -1.26 -4.46 117.46 123.17 3d12 n PHE 458 Ca 0.02 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.74 3d12 n PHE 458 Cb 0.44 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 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 0.36 0.55 0.10 4.37 3.41 -1.23 -0.23 113.62 120.96 3d12 n SER 459 Ca 0.24 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 3d12 n SER 459 Cb 0.98 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.36 3d12 n SER 459 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3d12 n TRP 460 N 0.00 0.88 -3.04 7.33 4.27 -1.26 -4.33 117.44 121.30 3d12 n TRP 460 Ca 0.00 0.27 -0.44 0.00 -3.89 0.00 0.00 57.50 53.43 3d12 n TRP 460 Cb 0.00 -0.94 -0.01 0.00 -1.36 0.00 0.00 31.31 29.00 3d12 n TRP 460 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3d12 s ASP 461 N -4.44 6.90 0.00 -0.67 -1.08 -1.26 -4.06 116.67 112.06 3d12 s ASP 461 Ca 0.10 -2.68 0.24 0.00 -0.52 0.00 0.00 52.55 49.69 3d12 s ASP 461 Cb 0.12 -2.35 0.22 0.00 -1.46 0.00 0.00 42.92 39.45 3d12 s ASP 461 CO 0.57 -0.79 1.23 0.35 0.52 0.00 0.00 175.17 177.05 3d12 n THR 462 N 4.62 0.00 -2.30 1.71 -2.24 -1.15 -4.73 114.28 110.19 3d12 n THR 462 Ca 0.27 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 3d12 n THR 462 Cb 0.45 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 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 -2.59 3.68 0.22 -0.78 -1.94 -1.26 -3.05 119.30 113.58 3d12 s MET 463 Ca 0.18 1.14 -0.32 0.00 -1.71 0.00 0.00 55.69 54.98 3d12 s MET 463 Cb 0.18 -2.09 -0.12 0.00 2.01 0.00 0.00 34.83 34.81 3d12 s MET 463 CO 0.60 -0.51 1.67 1.51 -0.01 0.00 0.00 175.02 178.28 3d12 n ILE 464 N -1.61 0.21 -3.64 2.53 3.06 -0.30 -4.93 119.36 114.68 3d12 n ILE 464 Ca 0.08 -0.05 -0.39 0.00 -2.50 0.00 0.00 62.75 59.89 3d12 n ILE 464 Cb 0.53 -1.90 -0.09 0.00 0.54 0.00 0.00 39.64 38.72 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 0.78 2.38 0.28 9.51 1.02 -1.26 -4.74 119.74 127.71 3d12 s LYS 465 Ca 0.73 -1.93 -0.20 0.00 0.02 0.00 0.00 55.97 54.60 3d12 s LYS 465 Cb -0.53 -3.80 0.02 0.00 -0.52 0.00 0.00 37.83 32.99 3d12 s LYS 465 CO 0.37 -1.16 0.68 -0.59 -0.92 0.00 0.00 175.35 173.73 3d12 s PHE 466 N 1.02 -0.10 -4.36 3.18 -0.00 -1.26 -0.38 117.98 116.07 3d12 s PHE 466 Ca 0.09 -0.35 0.00 0.00 -0.00 0.00 0.00 56.93 56.67 3d12 s PHE 466 Cb -0.23 0.63 0.00 0.00 -0.00 0.00 0.00 43.02 43.42 3d12 s PHE 466 CO -0.03 -1.21 0.00 0.41 -0.00 0.00 0.00 175.22 174.40 3d12 n GLY 467 N -0.45 -1.70 3.73 1.99 0.00 -0.43 -0.00 105.19 108.33 3d12 n GLY 467 Ca -0.04 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3d12 n GLY 467 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d12 s ASP 468 N -3.03 6.79 -0.42 1.61 1.01 -1.23 -1.12 116.67 120.30 3d12 s ASP 468 Ca 0.00 2.47 -0.29 0.00 0.71 0.00 0.00 52.55 55.44 3d12 s ASP 468 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.34 3d12 s ASP 468 CO 0.00 -0.62 1.29 -0.69 0.21 0.00 0.00 175.17 175.36 3d12 s VAL 469 N 0.35 4.06 0.06 -1.27 1.01 -0.81 -0.20 120.40 123.60 3d12 s VAL 469 Ca 0.60 1.10 -0.20 0.00 0.00 0.00 0.00 61.98 63.48 3d12 s VAL 469 Cb -0.38 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.53 3d12 s VAL 469 CO 0.37 -0.80 1.45 -0.07 0.00 0.00 0.00 175.10 176.05 3d12 h LEU 470 N 11.62 0.36 -7.75 3.92 4.07 -1.45 -3.45 115.31 122.62 3d12 h LEU 470 Ca -0.25 -0.37 -0.06 0.00 0.08 0.00 0.00 57.88 57.28 3d12 h LEU 470 Cb 1.09 -0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.61 3d12 h LEU 470 CO 1.09 0.64 -0.13 0.28 -1.08 0.00 0.00 178.44 179.24 3d12 s THR 471 N -4.76 0.06 -0.08 0.22 -1.32 -1.20 -5.01 115.64 103.55 3d12 s THR 471 Ca -0.14 -0.96 -0.12 0.00 -1.21 0.00 0.00 61.69 59.27 3d12 s THR 471 Cb 0.06 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 3d12 s THR 471 CO 0.74 -0.26 -0.22 0.52 -2.21 0.00 0.00 174.62 173.18 3d12 n VAL 472 N -0.25 1.38 0.36 5.08 0.31 -1.26 -1.84 118.33 122.11 3d12 n VAL 472 Ca -0.11 0.24 0.14 0.00 -0.01 0.00 0.00 64.34 64.59 3d12 n VAL 472 Cb 0.63 -2.07 0.41 0.00 -0.91 0.00 0.00 33.84 31.90 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 -0.64 0.00 -3.54 4.52 -0.73 -2.00 -0.76 115.58 112.43 3d12 h ASN 473 Ca 0.00 0.00 -0.71 0.00 1.87 0.00 0.00 56.30 57.46 3d12 h ASN 473 Cb 0.64 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.98 3d12 h ASN 473 CO 0.00 0.00 -0.50 -2.16 -0.37 0.00 0.00 177.43 174.40 3d12 s PRO 474 N -3.32 2.75 -0.26 6.67 0.05 -1.26 -5.00 135.00 134.63 3d12 s PRO 474 Ca 0.06 -1.21 -0.29 0.00 0.05 0.00 0.00 61.00 59.61 3d12 s PRO 474 Cb 0.08 -3.75 -0.00 0.00 0.05 0.00 0.00 34.50 30.89 3d12 s PRO 474 CO 0.57 -0.78 1.26 -1.17 0.05 0.00 0.00 177.00 176.92 3d12 s LEU 475 N 1.51 3.99 -0.07 -3.56 2.96 -0.29 -4.51 118.68 118.71 3d12 s LEU 475 Ca 0.02 1.34 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 3d12 s LEU 475 Cb -0.20 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 42.99 3d12 s LEU 475 CO 0.05 -0.95 0.10 0.54 -1.32 0.00 0.00 176.35 174.78 3d12 s VAL 476 N 3.99 -0.17 -0.18 1.68 0.11 -0.77 -1.18 120.40 123.88 3d12 s VAL 476 Ca 0.54 0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 59.85 3d12 s VAL 476 Cb -0.18 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3d12 s VAL 476 CO 0.19 0.11 0.05 -0.69 -3.33 0.00 0.00 175.10 171.43 3d12 s VAL 477 N 2.22 4.66 -1.38 2.04 1.01 -1.26 -1.09 120.40 126.60 3d12 s VAL 477 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 3d12 s VAL 477 Cb -0.13 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.24 3d12 s VAL 477 CO -0.05 0.46 2.01 -3.20 0.00 0.00 0.00 175.10 174.32 3d12 n ASN 478 N 3.59 4.42 -4.62 3.32 5.15 0.72 -4.94 115.26 122.89 3d12 n ASN 478 Ca -0.17 -2.92 -0.48 0.00 -0.60 0.00 0.00 54.58 50.41 3d12 n ASN 478 Cb 0.52 -1.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.10 3d12 n ASN 478 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3d12 n TRP 479 N 6.02 1.74 -1.91 1.20 7.02 -1.26 -3.47 117.44 126.78 3d12 n TRP 479 Ca 0.48 0.54 -0.41 0.00 -1.02 0.00 0.00 57.50 57.08 3d12 n TRP 479 Cb 0.40 -2.38 -0.02 0.00 -2.42 0.00 0.00 31.31 26.89 3d12 n TRP 479 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3d12 s ARG 480 N -0.02 4.20 -1.54 -0.99 1.81 0.99 -4.89 118.95 118.52 3d12 s ARG 480 Ca 0.75 2.43 -0.11 0.00 -1.72 0.00 0.00 55.73 57.07 3d12 s ARG 480 Cb -0.79 -3.05 -0.02 0.00 -0.45 0.00 0.00 34.95 30.64 3d12 s ARG 480 CO 0.48 -0.48 2.61 0.09 -0.68 0.00 0.00 175.30 177.32 3d12 n ASN 481 N 1.77 6.69 -4.72 0.23 3.02 -1.26 -4.81 115.26 116.18 3d12 n ASN 481 Ca 0.05 -2.72 -0.39 0.00 -0.03 0.00 0.00 54.58 51.49 3d12 n ASN 481 Cb 0.39 -1.59 -0.05 0.00 -0.61 0.00 0.00 39.78 37.93 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 2.43 6.88 -0.03 6.41 3.84 -1.26 -4.78 114.94 128.43 3d12 s ASN 482 Ca 0.59 1.05 0.04 0.00 0.21 0.00 0.00 52.86 54.75 3d12 s ASN 482 Cb 0.16 -2.36 0.06 0.00 -0.55 0.00 0.00 41.25 38.56 3d12 s ASN 482 CO -0.07 -0.06 0.95 0.35 -2.79 0.00 0.00 177.10 175.49 3d12 n THR 483 N 3.65 0.97 0.00 -5.21 -2.24 0.05 -4.61 114.28 106.90 3d12 n THR 483 Ca -0.04 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3d12 n THR 483 Cb 0.51 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.58 0.00 -4.38 2.28 0.24 -1.25 -5.00 118.33 109.63 3d12 n VAL 484 Ca 0.03 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 3d12 n VAL 484 Cb 0.39 0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.27 4.21 0.00 1.34 -1.09 -1.26 -5.02 121.20 118.10 3d12 s ILE 485 Ca 0.00 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 3d12 s ILE 485 Cb 0.00 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3d12 s ILE 485 CO 0.00 0.58 0.00 -0.24 -1.23 0.00 0.00 174.94 174.05 3d12 n SER 486 N 2.49 0.00 -3.88 3.58 2.88 -1.26 -1.15 113.62 116.27 3d12 n SER 486 Ca -0.18 -0.80 -0.10 0.00 -1.33 0.00 0.00 58.87 56.46 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 -1.39 0.55 -0.06 -1.46 3.03 -1.17 -4.85 118.95 113.61 3d12 s ARG 487 Ca 0.00 -0.55 -0.31 0.00 2.03 0.00 0.00 55.73 56.90 3d12 s ARG 487 Cb 0.00 0.22 -0.09 0.00 -1.03 0.00 0.00 34.95 34.05 3d12 s ARG 487 CO 0.00 -0.14 2.00 -2.30 -1.13 0.00 0.00 175.30 173.73 3d12 n PRO 488 N 1.11 2.42 0.00 3.89 -0.02 -1.24 -3.49 135.00 137.67 3d12 n PRO 488 Ca -0.21 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3d12 n PRO 488 Cb 0.57 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3d12 n PRO 488 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d12 n GLY 489 N 4.80 2.64 0.00 -1.23 0.00 -0.40 -4.01 105.19 106.99 3d12 n GLY 489 Ca 0.23 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 3.43 0.09 1.61 6.02 -1.25 -3.90 117.38 123.38 3d12 n GLN 490 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3d12 n GLN 490 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 3d12 n GLN 490 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3d12 h SER 491 N 0.00 -1.44 -0.17 1.08 4.64 -1.96 -1.43 113.55 114.27 3d12 h SER 491 Ca 0.00 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3d12 h SER 491 Cb 0.00 0.53 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3d12 h SER 491 CO 0.00 -0.50 0.09 1.56 -0.87 0.00 0.00 176.83 177.11 3d12 h GLN 492 N -0.67 0.19 -2.14 4.77 1.08 -1.97 -3.33 115.11 113.03 3d12 h GLN 492 Ca -0.00 -0.01 -0.57 0.00 -1.45 0.00 0.00 58.65 56.62 3d12 h GLN 492 Cb 0.68 -0.04 -0.41 0.00 -0.05 0.00 0.00 27.48 27.66 3d12 h GLN 492 CO -0.27 0.12 -0.82 0.00 -0.95 0.00 0.00 178.83 176.92 3d12 n PRO 494 N 0.57 -2.40 -1.76 0.00 -0.02 -0.55 -3.88 135.00 126.96 3d12 n PRO 494 Ca 0.28 -1.71 -0.42 0.00 -2.02 0.00 0.00 63.50 59.63 3d12 n PRO 494 Cb 0.47 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.49 3d12 n PRO 494 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3d12 s ARG 495 N -5.43 4.13 0.00 -0.52 3.52 -0.50 -2.34 118.95 117.81 3d12 s ARG 495 Ca 0.67 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.86 3d12 s ARG 495 Cb -0.05 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3d12 s ARG 495 CO 0.50 -0.70 0.00 1.19 -0.81 0.00 0.00 175.30 175.48 3d12 n PHE 496 N 3.22 0.00 -1.66 5.12 3.72 -1.26 -4.96 117.46 121.64 3d12 n PHE 496 Ca 0.13 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.08 3d12 n PHE 496 Cb 0.36 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 2.54 0.00 4.37 2.85 -0.99 -4.87 115.26 119.16 3d12 n ASN 497 Ca 0.00 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 3d12 n ASN 497 Cb 0.00 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 39.61 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 1.63 0.00 -3.02 -0.44 -2.24 -1.26 -2.95 114.28 105.99 3d12 n THR 498 Ca 0.11 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 3d12 n THR 498 Cb 0.31 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 3d12 n THR 498 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d12 n PRO 500 N 2.73 2.48 -4.29 0.00 -0.02 -1.26 -4.82 135.00 129.83 3d12 n PRO 500 Ca -0.03 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 62.08 3d12 n PRO 500 Cb 0.50 -2.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.06 3d12 n PRO 500 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d12 n GLU 501 N 7.29 0.75 -3.50 -0.52 -0.58 -1.26 -4.61 120.64 118.21 3d12 n GLU 501 Ca 0.22 -3.22 -0.42 0.00 -0.42 0.00 0.00 57.16 53.32 3d12 n GLU 501 Cb 0.36 1.32 -0.07 0.00 -0.57 0.00 0.00 31.44 32.48 3d12 n GLU 501 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3d12 s ILE 502 N -2.80 4.50 0.12 -3.67 1.01 -1.26 -4.62 121.20 114.48 3d12 s ILE 502 Ca 0.10 -1.88 -0.23 0.00 0.00 0.00 0.00 60.65 58.64 3d12 s ILE 502 Cb 0.00 -3.93 0.06 0.00 0.01 0.00 0.00 42.46 38.61 3d12 s ILE 502 CO 0.07 -0.83 0.58 0.00 0.00 0.00 0.00 174.94 174.76 3d12 s TRP 504 N -3.39 0.05 -0.30 0.00 -0.00 -1.25 -4.42 118.94 109.63 3d12 s TRP 504 Ca -0.01 -0.34 -0.29 0.00 -0.00 0.00 0.00 56.10 55.47 3d12 s TRP 504 Cb -0.01 -0.65 0.20 0.00 -0.00 0.00 0.00 33.47 33.01 3d12 s TRP 504 CO -0.10 -0.67 1.39 -1.83 -0.00 0.00 0.00 176.95 175.74 3d12 s GLU 505 N 2.20 0.02 0.00 5.86 -1.05 0.69 -4.98 118.70 121.44 3d12 s GLU 505 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 3d12 s GLU 505 Cb -0.16 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 3d12 s GLU 505 CO -0.20 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.41 3d12 n GLY 506 N 0.50 0.08 3.07 -3.83 0.00 -1.26 -3.51 105.19 100.24 3d12 n GLY 506 Ca 0.01 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.53 0.16 -0.43 1.61 -7.23 -1.26 -4.98 120.40 105.74 3d12 s VAL 507 Ca 0.00 -1.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 3d12 s VAL 507 Cb 0.00 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.99 3d12 s VAL 507 CO 0.00 -0.74 0.85 -0.47 -0.31 0.00 0.00 175.10 174.43 3d12 s TYR 508 N -2.83 2.99 -0.50 2.82 5.04 -1.26 -4.52 117.35 119.09 3d12 s TYR 508 Ca -0.03 0.35 0.07 0.00 -2.44 0.00 0.00 57.07 55.02 3d12 s TYR 508 Cb 0.00 -3.73 0.23 0.00 0.35 0.00 0.00 41.96 38.81 3d12 s TYR 508 CO -0.06 -0.97 0.57 0.09 -1.34 0.00 0.00 175.55 173.84 3d12 n ASN 509 N 6.84 1.51 -4.62 4.32 3.02 -1.26 -1.07 115.26 124.00 3d12 n ASN 509 Ca 0.04 -2.94 -0.29 0.00 -0.03 0.00 0.00 54.58 51.36 3d12 n ASN 509 Cb 0.48 -0.65 0.19 0.00 -0.61 0.00 0.00 39.78 39.20 3d12 n ASN 509 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3d12 s ASP 510 N -1.47 2.30 0.08 6.41 1.47 -0.86 -4.83 116.67 119.77 3d12 s ASP 510 Ca 0.35 1.47 0.03 0.00 1.18 0.00 0.00 52.55 55.58 3d12 s ASP 510 Cb 0.13 -2.16 -0.03 0.00 -0.34 0.00 0.00 42.92 40.52 3d12 s ASP 510 CO -0.10 -3.37 -0.08 0.00 0.68 0.00 0.00 175.17 172.30 3d12 s ALA 511 N -2.76 0.91 -0.10 2.11 0.00 -1.26 -4.15 121.76 116.52 3d12 s ALA 511 Ca 0.66 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3d12 s ALA 511 Cb -0.21 0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3d12 s ALA 511 CO 0.60 -0.09 -0.18 0.12 0.00 0.00 0.00 175.76 176.21 3d12 s PHE 512 N -2.45 2.12 0.19 0.00 5.36 0.13 -4.92 117.98 118.41 3d12 s PHE 512 Ca 0.03 -0.94 -0.30 0.00 -0.96 0.00 0.00 56.93 54.75 3d12 s PHE 512 Cb -0.03 -1.48 -0.09 0.00 -0.34 0.00 0.00 43.02 41.08 3d12 s PHE 512 CO -0.01 -0.44 1.36 -1.17 -1.46 0.00 0.00 175.22 173.49 3d12 s LEU 513 N 0.74 4.40 0.00 6.12 2.96 -1.26 -0.71 118.68 130.93 3d12 s LEU 513 Ca -0.11 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 3d12 s LEU 513 Cb -0.16 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3d12 s LEU 513 CO 0.02 -0.59 0.00 2.30 -1.32 0.00 0.00 176.35 176.76 3d12 n ILE 514 N 2.86 0.00 -3.41 6.68 -5.35 -0.06 -4.86 119.36 115.22 3d12 n ILE 514 Ca 0.07 -0.08 -0.14 0.00 -0.27 0.00 0.00 62.75 62.33 3d12 n ILE 514 Cb 0.42 0.53 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 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 -1.49 0.99 0.19 7.28 3.68 -0.96 -4.98 116.67 121.38 3d12 s ASP 515 Ca 0.00 -0.21 0.09 0.00 2.13 0.00 0.00 52.55 54.57 3d12 s ASP 515 Cb 0.00 0.71 0.03 0.00 -1.45 0.00 0.00 42.92 42.22 3d12 s ASP 515 CO 0.00 -0.33 1.42 -0.09 0.13 0.00 0.00 175.17 176.29 3d12 h ARG 516 N 8.25 0.00 -0.74 4.34 2.43 -1.93 0.30 114.38 127.02 3d12 h ARG 516 Ca -0.16 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 3d12 h ARG 516 Cb 1.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3d12 h ARG 516 CO 0.29 0.81 0.29 0.82 -1.51 0.00 0.00 179.97 180.67 3d12 h ILE 517 N 0.00 1.25 -0.01 1.20 2.04 -1.98 -2.70 117.51 117.30 3d12 h ILE 517 Ca -0.01 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3d12 h ILE 517 Cb 1.49 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3d12 h ILE 517 CO 0.10 0.32 -0.52 0.59 0.00 0.00 0.00 178.15 178.64 3d12 n ASN 518 N -4.29 1.92 -3.79 1.72 4.13 -1.22 -5.01 115.26 108.72 3d12 n ASN 518 Ca 0.07 -1.46 -0.28 0.00 1.68 0.00 0.00 54.58 54.59 3d12 n ASN 518 Cb 0.18 0.53 0.01 0.00 -1.54 0.00 0.00 39.78 38.95 3d12 n ASN 518 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3d12 n TRP 519 N -0.16 -1.97 -4.36 3.10 7.02 0.87 -4.90 117.44 117.03 3d12 n TRP 519 Ca 0.09 0.66 -0.34 0.00 -1.02 0.00 0.00 57.50 56.89 3d12 n TRP 519 Cb 0.45 -2.93 -0.11 0.00 -2.42 0.00 0.00 31.31 26.30 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 -3.14 4.14 0.21 -0.99 1.01 -0.18 -4.40 121.20 117.85 3d12 s ILE 520 Ca 0.14 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3d12 s ILE 520 Cb -0.07 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 3d12 s ILE 520 CO 0.90 0.54 -0.01 -0.44 0.00 0.00 0.00 174.94 175.93 3d12 s SER 521 N -0.18 1.68 0.01 3.58 0.01 -0.15 -0.88 113.70 117.78 3d12 s SER 521 Ca 0.04 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.13 3d12 s SER 521 Cb -0.13 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 3d12 s SER 521 CO 0.02 -0.52 -0.07 0.00 0.41 0.00 0.00 173.24 173.09 3d12 s ALA 522 N -3.47 0.55 0.16 1.44 0.00 0.11 -1.00 121.76 119.55 3d12 s ALA 522 Ca 0.27 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 3d12 s ALA 522 Cb 0.06 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3d12 s ALA 522 CO 0.07 0.09 0.85 0.20 0.00 0.00 0.00 175.76 176.98 3d12 s GLY 523 N -0.54 -0.27 -0.25 0.00 0.00 -0.45 0.20 107.32 106.01 3d12 s GLY 523 Ca -0.01 0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.81 3d12 s GLY 523 CO 0.00 0.05 0.13 0.14 0.00 0.00 0.00 173.10 173.42 3d12 s VAL 524 N -3.47 4.95 0.03 1.40 1.01 -1.26 -0.46 120.40 122.60 3d12 s VAL 524 Ca 0.10 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3d12 s VAL 524 Cb -0.02 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3d12 s VAL 524 CO 0.00 0.32 -0.21 -0.36 0.00 0.00 0.00 175.10 174.85 3d12 s PHE 525 N 1.38 1.85 -0.24 5.22 0.08 -0.42 -4.73 117.98 121.13 3d12 s PHE 525 Ca 0.06 -0.37 -0.27 0.00 0.12 0.00 0.00 56.93 56.47 3d12 s PHE 525 Cb -0.15 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 3d12 s PHE 525 CO 0.06 0.07 0.96 -0.51 -0.10 0.00 0.00 175.22 175.70 3d12 s LEU 526 N -1.04 4.09 -1.23 -0.37 1.43 -1.26 -0.48 118.68 119.82 3d12 s LEU 526 Ca 0.08 1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 3d12 s LEU 526 Cb -0.09 -3.40 0.16 0.00 0.03 0.00 0.00 46.19 42.89 3d12 s LEU 526 CO 0.01 -0.62 1.54 -0.67 0.23 0.00 0.00 176.35 176.85 3d12 n ASP 527 N 6.21 5.17 -3.63 2.29 -0.08 0.90 -4.55 116.55 122.86 3d12 n ASP 527 Ca 0.10 -2.99 -0.08 0.00 -1.51 0.00 0.00 54.79 50.31 3d12 n ASP 527 Cb 0.47 -1.57 -0.06 0.00 2.34 0.00 0.00 41.12 42.29 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 2.62 -0.32 -0.04 1.67 0.15 -1.26 -4.75 113.70 111.76 3d12 s SER 528 Ca 0.43 0.55 -0.25 0.00 0.70 0.00 0.00 55.95 57.38 3d12 s SER 528 Cb -0.00 0.54 -0.22 0.00 -1.71 0.00 0.00 66.02 64.63 3d12 s SER 528 CO 0.01 -0.15 1.11 0.78 1.20 0.00 0.00 173.24 176.18 3d12 h ASN 529 N 3.49 0.12 0.00 5.45 2.35 -1.93 -3.30 115.58 121.76 3d12 h ASN 529 Ca -0.25 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 3d12 h ASN 529 Cb 1.18 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3d12 h ASN 529 CO 0.17 0.77 0.00 0.00 -1.65 0.00 0.00 177.43 176.73 3d12 n GLN 530 N -4.66 1.11 -4.39 0.81 6.02 -1.25 -1.28 117.38 113.74 3d12 n GLN 530 Ca -0.09 -0.85 -0.19 0.00 -0.01 0.00 0.00 57.00 55.86 3d12 n GLN 530 Cb 0.39 -0.73 -0.14 0.00 1.02 0.00 0.00 30.24 30.77 3d12 n GLN 530 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3d12 s THR 531 N -0.39 0.80 -1.06 5.09 -1.32 -1.26 -4.68 115.64 112.82 3d12 s THR 531 Ca 0.00 -0.50 -0.22 0.00 -1.21 0.00 0.00 61.69 59.75 3d12 s THR 531 Cb 0.00 -0.68 0.04 0.00 -1.51 0.00 0.00 72.50 70.35 3d12 s THR 531 CO 0.00 0.17 1.55 0.00 -2.21 0.00 0.00 174.62 174.14 3d12 s ALA 532 N -0.34 2.69 0.06 11.08 0.00 -1.26 -4.62 121.76 129.37 3d12 s ALA 532 Ca 0.03 -2.29 -0.27 0.00 0.00 0.00 0.00 51.96 49.42 3d12 s ALA 532 Cb -0.04 -4.55 0.09 0.00 0.00 0.00 0.00 23.12 18.61 3d12 s ALA 532 CO -0.00 -3.71 0.97 -1.83 0.00 0.00 0.00 175.76 171.18 3d12 s GLU 533 N 5.08 0.95 -0.55 0.00 -1.05 -1.24 -2.05 118.70 119.84 3d12 s GLU 533 Ca 0.50 -0.46 -0.01 0.00 -0.15 0.00 0.00 54.97 54.85 3d12 s GLU 533 Cb -0.00 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 3d12 s GLU 533 CO -0.06 -0.43 0.51 -1.71 0.95 0.00 0.00 175.26 174.53 3d12 n ASN 534 N -0.37 -5.73 -4.61 0.83 5.15 0.11 -2.97 115.26 107.66 3d12 n ASN 534 Ca -0.07 -0.16 -0.43 0.00 -0.60 0.00 0.00 54.58 53.32 3d12 n ASN 534 Cb 0.61 -3.86 -0.02 0.00 -0.53 0.00 0.00 39.78 35.98 3d12 n ASN 534 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3d12 s PRO 535 N -3.24 3.72 -0.19 1.20 0.02 -1.26 -0.07 135.00 135.18 3d12 s PRO 535 Ca 0.08 1.07 -0.01 0.00 0.02 0.00 0.00 61.00 62.15 3d12 s PRO 535 Cb -0.01 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.55 3d12 s PRO 535 CO 0.51 -1.38 -0.13 0.08 -0.33 0.00 0.00 177.00 175.75 3d12 s VAL 536 N 4.98 2.75 0.02 3.83 1.01 0.37 -1.48 120.40 131.88 3d12 s VAL 536 Ca 0.59 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3d12 s VAL 536 Cb -0.15 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 3d12 s VAL 536 CO 0.29 0.49 1.36 0.12 0.00 0.00 0.00 175.10 177.36 3d12 s PHE 537 N 1.21 3.01 0.00 5.22 5.36 0.60 -1.30 117.98 132.09 3d12 s PHE 537 Ca 0.02 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.92 3d12 s PHE 537 Cb -0.14 -3.62 -0.00 0.00 -0.34 0.00 0.00 43.02 38.92 3d12 s PHE 537 CO -0.05 -2.21 -0.01 -0.08 -1.46 0.00 0.00 175.22 171.41 3d12 s THR 538 N 2.01 0.04 -0.08 0.12 -1.32 0.39 -0.02 115.64 116.79 3d12 s THR 538 Ca 0.63 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.93 3d12 s THR 538 Cb -0.32 -0.08 -0.02 0.00 -1.51 0.00 0.00 72.50 70.58 3d12 s THR 538 CO 0.27 -0.11 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.71 3d12 s VAL 539 N -0.32 2.73 0.14 5.08 1.01 -0.15 -1.35 120.40 127.53 3d12 s VAL 539 Ca -0.03 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3d12 s VAL 539 Cb -0.02 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.33 3d12 s VAL 539 CO -0.00 0.56 0.48 0.72 0.00 0.00 0.00 175.10 176.86 3d12 s PHE 540 N -0.22 -0.34 0.55 5.22 -0.12 -0.17 -0.30 117.98 122.60 3d12 s PHE 540 Ca -0.00 0.08 0.05 0.00 -0.05 0.00 0.00 56.93 57.01 3d12 s PHE 540 Cb -0.13 0.38 0.04 0.00 -0.63 0.00 0.00 43.02 42.68 3d12 s PHE 540 CO 0.03 -0.76 0.39 0.15 -0.05 0.00 0.00 175.22 174.99 3d12 s LYS 541 N -3.73 2.24 0.34 1.99 1.02 0.62 -0.97 119.74 121.25 3d12 s LYS 541 Ca 0.02 -2.07 0.09 0.00 0.02 0.00 0.00 55.97 54.03 3d12 s LYS 541 Cb 0.01 -2.06 0.82 0.00 -0.52 0.00 0.00 37.83 36.07 3d12 s LYS 541 CO -0.12 -0.64 1.83 -0.44 -0.92 0.00 0.00 175.35 175.05 3d12 h ASP 542 N 0.74 0.68 0.00 2.83 3.32 -1.91 -3.00 116.42 119.08 3d12 h ASP 542 Ca -0.37 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3d12 h ASP 542 Cb 1.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3d12 h ASP 542 CO 0.57 0.29 -0.08 0.59 -1.72 0.00 0.00 179.24 178.90 3d12 n ASN 543 N -4.63 1.52 -3.77 6.45 3.02 -1.26 -0.77 115.26 115.81 3d12 n ASN 543 Ca 0.20 -2.24 -0.13 0.00 -0.03 0.00 0.00 54.58 52.38 3d12 n ASN 543 Cb 0.55 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.37 0.29 -0.18 3.52 2.02 -1.14 -4.92 118.70 116.92 3d12 s GLU 544 Ca 0.11 0.39 -0.19 0.00 0.02 0.00 0.00 54.97 55.31 3d12 s GLU 544 Cb 0.10 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 3d12 s GLU 544 CO 0.01 -0.06 0.55 0.42 0.02 0.00 0.00 175.26 176.20 3d12 s ILE 545 N 0.35 5.09 -0.11 -1.63 1.01 -1.26 -0.27 121.20 124.38 3d12 s ILE 545 Ca -0.02 1.04 -0.19 0.00 0.00 0.00 0.00 60.65 61.48 3d12 s ILE 545 Cb -0.03 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.40 3d12 s ILE 545 CO -0.01 0.18 0.59 -0.07 0.00 0.00 0.00 174.94 175.63 3d12 h LEU 546 N 7.77 -0.04 -7.20 2.97 3.38 -0.96 -3.44 115.31 117.79 3d12 h LEU 546 Ca -0.34 -0.58 0.14 0.00 0.09 0.00 0.00 57.88 57.18 3d12 h LEU 546 Cb 1.16 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 3d12 h LEU 546 CO 0.75 0.72 0.51 -0.72 0.09 0.00 0.00 178.44 179.79 3d12 s TYR 547 N -2.32 -0.27 0.33 1.13 -0.85 -1.10 -0.58 117.35 113.67 3d12 s TYR 547 Ca -0.12 0.09 -0.15 0.00 -0.52 0.00 0.00 57.07 56.36 3d12 s TYR 547 Cb -0.01 0.57 0.03 0.00 0.38 0.00 0.00 41.96 42.92 3d12 s TYR 547 CO 0.45 -0.61 0.68 -0.98 -1.52 0.00 0.00 175.55 173.58 3d12 s ARG 548 N -3.13 1.95 -0.21 -3.49 1.70 -1.26 -0.98 118.95 113.53 3d12 s ARG 548 Ca 0.07 -1.30 -0.08 0.00 -0.47 0.00 0.00 55.73 53.95 3d12 s ARG 548 Cb -0.01 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.04 3d12 s ARG 548 CO -0.06 -0.88 0.45 0.00 -1.08 0.00 0.00 175.30 173.73 3d12 s ALA 549 N -3.18 -1.24 0.01 7.88 0.00 0.97 -4.72 121.76 121.48 3d12 s ALA 549 Ca 0.17 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 3d12 s ALA 549 Cb -0.04 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 3d12 s ALA 549 CO 0.11 -0.68 1.72 -0.65 0.00 0.00 0.00 175.76 176.25 3d12 s GLN 550 N 2.42 4.18 0.47 0.00 -0.21 -1.26 -0.29 119.66 124.96 3d12 s GLN 550 Ca -0.04 2.33 0.27 0.00 0.02 0.00 0.00 55.36 57.94 3d12 s GLN 550 Cb -0.11 -3.88 1.04 0.00 1.00 0.00 0.00 33.01 31.06 3d12 s GLN 550 CO -0.14 -0.83 1.87 -0.07 -2.12 0.00 0.00 175.29 174.01 3d12 h LEU 551 N 9.71 0.00 0.00 2.90 3.38 -1.63 -3.47 115.31 126.20 3d12 h LEU 551 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3d12 h LEU 551 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3d12 h LEU 551 CO 0.94 0.16 0.00 0.00 0.09 0.00 0.00 178.44 179.63 3d12 n ALA 552 N -2.19 0.00 -2.17 1.53 0.00 -1.26 -5.09 120.51 111.33 3d12 n ALA 552 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3d12 n ALA 552 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 1.73 6.40 0.27 0.00 0.01 -1.26 -4.98 113.70 115.87 3d12 s SER 553 Ca 0.00 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.37 3d12 s SER 553 Cb 0.00 -2.32 0.54 0.00 0.21 0.00 0.00 66.02 64.46 3d12 s SER 553 CO 0.00 -0.53 1.81 -0.33 0.41 0.00 0.00 173.24 174.60 3d12 h GLU 554 N 0.68 0.85 -0.89 12.44 3.07 -2.00 -1.94 114.58 126.78 3d12 h GLU 554 Ca -0.47 -0.05 -0.61 0.00 -0.50 0.00 0.00 59.36 57.74 3d12 h GLU 554 Cb 1.19 -0.19 -0.32 0.00 -0.84 0.00 0.00 28.75 28.59 3d12 h GLU 554 CO 0.63 0.56 0.32 -0.40 -1.40 0.00 0.00 179.01 178.72 3d12 n ASP 555 N -4.70 6.39 -4.75 1.42 5.75 -1.26 -3.72 116.55 115.68 3d12 n ASP 555 Ca 0.18 -3.77 -0.39 0.00 -0.01 0.00 0.00 54.79 50.81 3d12 n ASP 555 Cb 0.38 -0.77 -0.06 0.00 -1.03 0.00 0.00 41.12 39.65 3d12 n ASP 555 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3d12 s THR 556 N -4.59 4.98 0.18 2.12 2.01 -0.73 -4.85 115.64 114.77 3d12 s THR 556 Ca 0.59 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 63.52 3d12 s THR 556 Cb 0.47 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 3d12 s THR 556 CO 0.01 0.38 1.23 0.20 -0.69 0.00 0.00 174.62 175.74 3d12 s ASN 557 N 0.11 7.04 0.01 3.53 0.01 -0.18 -0.72 114.94 124.74 3d12 s ASN 557 Ca 0.31 2.26 -0.17 0.00 -0.71 0.00 0.00 52.86 54.55 3d12 s ASN 557 Cb -0.18 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 38.91 3d12 s ASN 557 CO 0.16 -0.42 0.38 0.00 -1.51 0.00 0.00 177.10 175.71 3d12 s ALA 558 N 0.06 -0.93 0.00 0.60 0.00 -0.87 -1.79 121.76 118.84 3d12 s ALA 558 Ca 0.54 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3d12 s ALA 558 Cb -0.33 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3d12 s ALA 558 CO 0.36 -0.37 0.00 0.94 0.00 0.00 0.00 175.76 176.70 3d12 n GLN 559 N 0.84 0.00 -2.37 0.00 7.27 -0.89 -3.58 117.38 118.65 3d12 n GLN 559 Ca -0.20 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.47 3d12 n GLN 559 Cb 0.58 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.19 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 1.43 4.55 -0.06 3.69 2.20 -1.26 -4.74 119.74 125.55 3d12 s LYS 560 Ca 0.00 1.92 0.01 0.00 -0.36 0.00 0.00 55.97 57.54 3d12 s LYS 560 Cb 0.00 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3d12 s LYS 560 CO 0.00 0.07 -0.07 0.95 -0.36 0.00 0.00 175.35 175.94 3d12 s THR 561 N -1.01 0.77 -0.20 3.43 -4.23 -0.23 -1.59 115.64 112.57 3d12 s THR 561 Ca 0.47 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 3d12 s THR 561 Cb -0.34 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 72.76 3d12 s THR 561 CO 0.44 0.29 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.00 3d12 s ILE 562 N 1.05 2.11 -0.14 2.99 1.01 -0.55 -2.03 121.20 125.63 3d12 s ILE 562 Ca -0.08 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 3d12 s ILE 562 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3d12 s ILE 562 CO -0.00 0.38 -0.11 -0.89 0.00 0.00 0.00 174.94 174.32 3d12 s THR 563 N 1.24 3.23 -0.03 2.92 2.01 -1.26 -0.21 115.64 123.53 3d12 s THR 563 Ca 0.01 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.48 3d12 s THR 563 Cb -0.15 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 3d12 s THR 563 CO -0.11 0.51 -0.21 0.20 -0.69 0.00 0.00 174.62 174.32 3d12 s ASN 564 N 0.48 2.56 0.19 3.53 0.01 -0.79 -4.59 114.94 116.32 3d12 s ASN 564 Ca -0.08 -0.41 0.10 0.00 -0.71 0.00 0.00 52.86 51.76 3d12 s ASN 564 Cb -0.15 -0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.01 3d12 s ASN 564 CO 0.04 0.24 -0.14 0.00 -1.51 0.00 0.00 177.10 175.73 3d12 n PHE 566 N 0.08 -0.78 -5.19 0.00 1.16 -0.27 -4.40 117.46 108.06 3d12 n PHE 566 Ca -0.11 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.17 3d12 n PHE 566 Cb 0.56 0.00 -0.16 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 2.04 -0.27 5.98 1.43 -0.39 -1.12 118.68 126.36 3d12 s LEU 567 Ca 0.00 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3d12 s LEU 567 Cb 0.00 -1.28 0.09 0.00 0.03 0.00 0.00 46.19 45.03 3d12 s LEU 567 CO 0.00 0.25 0.08 -0.22 0.23 0.00 0.00 176.35 176.69 3d12 s LEU 568 N -0.30 1.62 -1.03 1.79 2.96 -0.29 -2.41 118.68 121.03 3d12 s LEU 568 Ca 0.01 -1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 52.60 3d12 s LEU 568 Cb -0.12 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 3d12 s LEU 568 CO 0.02 -0.38 0.88 0.29 -1.32 0.00 0.00 176.35 175.84 3d12 n LYS 569 N 4.98 -3.70 -3.11 1.98 5.02 -1.26 -2.89 118.16 119.18 3d12 n LYS 569 Ca -0.05 0.80 -0.16 0.00 -2.02 0.00 0.00 58.31 56.88 3d12 n LYS 569 Cb 0.44 -5.56 -0.02 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.05 -2.14 -4.12 4.39 2.85 -1.26 -4.94 115.26 106.98 3d12 n ASN 570 Ca -0.15 -0.10 -0.27 0.00 -0.11 0.00 0.00 54.58 53.95 3d12 n ASN 570 Cb 0.63 -1.88 -0.16 0.00 1.24 0.00 0.00 39.78 39.61 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 -5.70 2.11 0.01 1.20 1.02 -1.14 -1.10 119.74 116.14 3d12 s LYS 571 Ca 0.26 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 3d12 s LYS 571 Cb -0.15 -1.72 -0.06 0.00 -0.52 0.00 0.00 37.83 35.38 3d12 s LYS 571 CO 0.32 0.15 1.46 0.42 -0.92 0.00 0.00 175.35 176.78 3d12 s ILE 572 N 0.33 3.58 0.04 2.17 1.01 -1.26 -1.14 121.20 125.93 3d12 s ILE 572 Ca -0.12 0.97 0.07 0.00 0.00 0.00 0.00 60.65 61.58 3d12 s ILE 572 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3d12 s ILE 572 CO 0.05 -0.01 -0.22 0.26 0.00 0.00 0.00 174.94 175.02 3d12 s TRP 573 N 2.51 1.89 -0.01 3.97 0.52 -0.27 -0.92 118.94 126.63 3d12 s TRP 573 Ca 0.66 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 56.47 3d12 s TRP 573 Cb -0.33 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 3d12 s TRP 573 CO 0.27 0.08 -0.23 0.00 0.02 0.00 0.00 176.95 177.09 3d12 s ILE 575 N -0.69 1.69 -0.18 0.00 1.01 0.20 -0.02 121.20 123.20 3d12 s ILE 575 Ca 0.11 -1.09 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 3d12 s ILE 575 Cb -0.10 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3d12 s ILE 575 CO 0.00 0.13 0.08 -0.44 0.00 0.00 0.00 174.94 174.71 3d12 s SER 576 N 1.37 5.77 -0.39 3.58 0.01 -0.28 -1.89 113.70 121.87 3d12 s SER 576 Ca -0.02 0.12 -0.19 0.00 1.31 0.00 0.00 55.95 57.17 3d12 s SER 576 Cb -0.17 -1.99 0.01 0.00 0.21 0.00 0.00 66.02 64.09 3d12 s SER 576 CO -0.08 0.19 0.56 -0.22 0.41 0.00 0.00 173.24 174.10 3d12 s LEU 577 N 0.31 4.46 -0.19 2.44 0.20 0.70 -1.24 118.68 125.37 3d12 s LEU 577 Ca 0.05 -0.21 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 3d12 s LEU 577 Cb -0.12 -2.62 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 3d12 s LEU 577 CO -0.00 -0.61 -0.12 -0.69 -0.29 0.00 0.00 176.35 174.64 3d12 s VAL 578 N 2.53 2.82 0.08 1.68 1.01 -0.10 -1.48 120.40 126.94 3d12 s VAL 578 Ca 0.20 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 3d12 s VAL 578 Cb -0.15 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 3d12 s VAL 578 CO 0.15 0.49 1.52 -1.61 0.00 0.00 0.00 175.10 175.65 3d12 s GLU 579 N 1.16 4.25 -0.28 2.72 2.02 -0.62 -0.44 118.70 127.50 3d12 s GLU 579 Ca 0.01 2.20 -0.21 0.00 0.02 0.00 0.00 54.97 56.99 3d12 s GLU 579 Cb -0.14 -3.44 0.12 0.00 0.10 0.00 0.00 34.13 30.77 3d12 s GLU 579 CO -0.04 -0.61 0.95 -1.50 0.02 0.00 0.00 175.26 174.08 3d12 s ILE 580 N 1.99 0.00 0.10 -1.63 2.07 -1.26 -2.08 121.20 120.38 3d12 s ILE 580 Ca 0.69 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.67 3d12 s ILE 580 Cb -0.38 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.29 3d12 s ILE 580 CO 0.30 0.00 0.81 -0.72 -1.91 0.00 0.00 174.94 173.42 3d12 s TYR 581 N 0.73 -0.34 -0.00 3.50 -0.85 -0.74 -4.38 117.35 115.26 3d12 s TYR 581 Ca -0.02 0.12 0.06 0.00 -0.52 0.00 0.00 57.07 56.71 3d12 s TYR 581 Cb -0.05 0.58 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 3d12 s TYR 581 CO -0.10 -0.74 -0.19 0.16 -1.52 0.00 0.00 175.55 173.16 3d12 s ASP 582 N -2.68 2.22 -0.12 -0.18 1.47 -1.26 -1.01 116.67 115.10 3d12 s ASP 582 Ca 0.06 -0.37 -0.39 0.00 1.18 0.00 0.00 52.55 53.03 3d12 s ASP 582 Cb -0.02 -0.24 -0.17 0.00 -0.34 0.00 0.00 42.92 42.16 3d12 s ASP 582 CO -0.06 0.21 1.52 0.35 0.68 0.00 0.00 175.17 177.87 3d12 n THR 583 N 2.49 0.14 0.00 2.11 -2.24 -1.26 -2.80 114.28 112.71 3d12 n THR 583 Ca -0.15 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3d12 n THR 583 Cb 0.54 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 3.29 3.46 3.73 3.38 0.00 -1.26 -5.11 105.19 112.67 3d12 n GLY 584 Ca 0.23 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 4.47 -0.15 1.61 -4.77 -1.12 -4.97 116.67 111.75 3d12 s ASP 585 Ca 0.00 2.41 -0.25 0.00 -3.30 0.00 0.00 52.55 51.41 3d12 s ASP 585 Cb 0.00 -2.60 -0.25 0.00 -1.09 0.00 0.00 42.92 38.99 3d12 s ASP 585 CO 0.00 -2.08 0.59 0.78 0.70 0.00 0.00 175.17 175.17 3d12 h ASN 586 N 0.09 0.09 -3.55 2.11 4.21 -1.96 -3.43 115.58 113.15 3d12 h ASN 586 Ca -0.49 -0.83 -0.64 0.00 1.21 0.00 0.00 56.30 55.54 3d12 h ASN 586 Cb 1.30 -0.03 -0.22 0.00 -1.12 0.00 0.00 38.32 38.26 3d12 h ASN 586 CO 0.51 1.26 -0.63 0.54 -1.29 0.00 0.00 177.43 177.82 3d12 s VAL 587 N -2.31 4.29 -0.36 2.81 0.11 -1.26 -1.47 120.40 122.21 3d12 s VAL 587 Ca -0.21 -0.19 -0.21 0.00 -2.93 0.00 0.00 61.98 58.43 3d12 s VAL 587 Cb 0.01 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 3d12 s VAL 587 CO 0.68 0.38 0.68 -0.63 -3.33 0.00 0.00 175.10 172.88 3d12 s ILE 588 N 1.30 4.84 0.04 7.04 1.01 -0.81 -5.03 121.20 129.59 3d12 s ILE 588 Ca 0.05 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 3d12 s ILE 588 Cb -0.15 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3d12 s ILE 588 CO 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 174.94 174.63 3d12 s ARG 589 N 2.83 0.52 0.64 2.79 1.70 -1.26 -0.32 118.95 125.85 3d12 s ARG 589 Ca 0.27 -0.89 -0.15 0.00 -0.47 0.00 0.00 55.73 54.49 3d12 s ARG 589 Cb -0.14 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.42 3d12 s ARG 589 CO 0.15 -0.11 1.09 -2.14 -1.08 0.00 0.00 175.30 173.22 3d12 s PRO 590 N -2.79 2.96 0.14 3.89 0.02 -1.26 -4.04 135.00 133.91 3d12 s PRO 590 Ca -0.03 1.32 0.07 0.00 0.02 0.00 0.00 61.00 62.37 3d12 s PRO 590 Cb -0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3d12 s PRO 590 CO -0.06 -1.11 -0.15 0.15 -0.33 0.00 0.00 177.00 175.50 3d12 s LYS 591 N -4.12 1.10 -0.16 5.54 1.02 0.41 -4.94 119.74 118.58 3d12 s LYS 591 Ca 0.66 -1.30 -0.08 0.00 0.02 0.00 0.00 55.97 55.27 3d12 s LYS 591 Cb -0.19 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3d12 s LYS 591 CO 0.41 0.20 0.10 -0.51 -0.92 0.00 0.00 175.35 174.62 3d12 s LEU 592 N -2.55 4.10 -0.09 3.17 2.01 -1.26 -0.92 118.68 123.13 3d12 s LEU 592 Ca 0.11 0.26 0.03 0.00 0.01 0.00 0.00 54.13 54.54 3d12 s LEU 592 Cb -0.05 -2.02 0.01 0.00 0.01 0.00 0.00 46.19 44.14 3d12 s LEU 592 CO 0.04 0.27 -0.19 -0.36 1.01 0.00 0.00 176.35 177.12 3d12 s PHE 593 N -0.19 2.12 -0.20 0.29 0.08 -0.37 -2.47 117.98 117.23 3d12 s PHE 593 Ca 0.09 -0.90 -0.10 0.00 0.12 0.00 0.00 56.93 56.15 3d12 s PHE 593 Cb -0.12 -1.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 3d12 s PHE 593 CO 0.01 -0.40 0.13 0.00 -0.10 0.00 0.00 175.22 174.85 3d12 s ALA 594 N 0.61 3.67 -0.14 5.36 0.00 0.26 -1.12 121.76 130.40 3d12 s ALA 594 Ca -0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3d12 s ALA 594 Cb -0.17 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.81 3d12 s ALA 594 CO 0.04 0.13 -0.04 0.08 0.00 0.00 0.00 175.76 175.97 3d12 s VAL 595 N 0.43 0.90 0.13 0.00 1.01 0.97 -0.53 120.40 123.30 3d12 s VAL 595 Ca 0.08 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3d12 s VAL 595 Cb -0.11 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 3d12 s VAL 595 CO -0.01 0.15 1.01 -0.75 0.00 0.00 0.00 175.10 175.50 3d12 s LYS 596 N 1.73 4.66 -0.31 2.72 2.20 -1.26 -0.38 119.74 129.10 3d12 s LYS 596 Ca 0.02 1.55 -0.22 0.00 -0.36 0.00 0.00 55.97 56.95 3d12 s LYS 596 Cb -0.14 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3d12 s LYS 596 CO -0.07 0.15 0.74 0.42 -0.36 0.00 0.00 175.35 176.23 3d12 s ILE 597 N -0.03 4.84 0.15 5.43 -1.09 -0.10 -4.71 121.20 125.69 3d12 s ILE 597 Ca 0.48 1.07 -0.33 0.00 -2.23 0.00 0.00 60.65 59.64 3d12 s ILE 597 Cb -0.25 -4.10 -0.13 0.00 -1.58 0.00 0.00 42.46 36.40 3d12 s ILE 597 CO 0.31 -0.22 1.66 -2.65 -1.23 0.00 0.00 174.94 172.82 3d12 n PRO 598 N 6.10 2.39 0.11 2.79 -0.02 -1.26 -4.68 135.00 140.42 3d12 n PRO 598 Ca 0.02 0.86 -0.23 0.00 -2.02 0.00 0.00 63.50 62.13 3d12 n PRO 598 Cb 0.48 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.15 3d12 n PRO 598 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3d12 h GLU 599 N 6.63 0.59 -6.21 -0.52 4.81 -1.90 0.24 114.58 118.21 3d12 h GLU 599 Ca -0.45 -0.86 -0.58 0.00 -0.13 0.00 0.00 59.36 57.34 3d12 h GLU 599 Cb 1.24 0.30 -0.04 0.00 0.63 0.00 0.00 28.75 30.88 3d12 h GLU 599 CO 0.92 1.40 -0.16 -0.65 -0.73 0.00 0.00 179.01 179.79 3d12 s GLN 600 N -2.83 3.89 -0.10 1.92 -1.52 -1.26 -3.33 119.66 116.43 3d12 s GLN 600 Ca -0.09 0.36 0.08 0.00 -1.95 0.00 0.00 55.36 53.75 3d12 s GLN 600 Cb 0.05 -2.99 0.39 0.00 -0.22 0.00 0.00 33.01 30.24 3d12 s GLN 600 CO 0.94 0.53 1.14 0.00 -0.25 0.00 0.00 175.29 177.64 3d12 n THR 602 N 0.35 0.00 1.48 0.00 5.66 -1.26 -4.86 114.28 115.64 3d12 n THR 602 Ca 0.13 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.25 3d12 n THR 602 Cb 0.65 0.00 0.70 0.00 -1.55 0.00 0.00 70.33 70.13 3d12 n THR 602 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02