#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg1 h PRO 163 N 0.00 0.00 0.16 -0.53 0.13 -2.04 -3.35 132.00 126.37 1rg1 h PRO 163 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 1rg1 h PRO 163 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1rg1 h PRO 163 CO 0.00 0.00 -1.45 0.74 -0.23 0.00 0.00 178.00 177.06 1rg1 h PHE 164 N 0.00 0.60 -6.21 1.56 0.04 -1.99 -3.48 116.94 107.47 1rg1 h PHE 164 Ca 0.00 -0.44 -0.47 0.00 2.80 0.00 0.00 57.97 59.86 1rg1 h PHE 164 Cb 0.84 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.91 1rg1 h PHE 164 CO 0.00 1.56 -0.74 1.04 -0.60 0.00 0.00 178.31 179.57 1rg1 n GLN 165 N -3.82 -5.09 -3.78 1.51 1.13 -1.26 -4.81 117.38 101.26 1rg1 n GLN 165 Ca -0.23 0.58 -0.36 0.00 -1.94 0.00 0.00 57.00 55.05 1rg1 n GLN 165 Cb 0.97 -5.44 -0.11 0.00 0.11 0.00 0.00 30.24 25.77 1rg1 n GLN 165 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1rg1 s PHE 166 N -3.26 3.17 0.19 1.08 2.19 -1.26 -1.32 117.98 118.78 1rg1 s PHE 166 Ca 0.64 -0.12 0.06 0.00 0.33 0.00 0.00 56.93 57.84 1rg1 s PHE 166 Cb -0.33 -2.23 -0.05 0.00 -1.31 0.00 0.00 43.02 39.10 1rg1 s PHE 166 CO 0.79 -0.15 -0.09 0.71 1.83 0.00 0.00 175.22 178.31 1rg1 s TYR 167 N 1.29 1.53 0.21 10.12 1.51 0.30 -4.97 117.35 127.33 1rg1 s TYR 167 Ca 0.06 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.46 1rg1 s TYR 167 Cb -0.15 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 1rg1 s TYR 167 CO 0.05 0.17 0.12 -0.51 -1.11 0.00 0.00 175.55 174.26 1rg1 s LEU 168 N -3.27 3.65 0.68 -1.29 1.43 -1.26 -0.12 118.68 118.49 1rg1 s LEU 168 Ca 0.22 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1rg1 s LEU 168 Cb 0.02 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 1rg1 s LEU 168 CO 0.05 0.03 1.06 0.42 0.23 0.00 0.00 176.35 178.14 1rg1 s THR 169 N -1.94 4.15 0.32 5.49 -4.23 -1.01 -0.95 115.64 117.47 1rg1 s THR 169 Ca 0.31 0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 61.23 1rg1 s THR 169 Cb -0.09 -3.57 -0.10 0.00 1.34 0.00 0.00 72.50 70.09 1rg1 s THR 169 CO 0.23 -0.91 1.23 -0.60 -0.54 0.00 0.00 174.62 174.03 1rg1 s ARG 170 N -5.14 4.42 -0.22 3.99 3.52 -0.74 -4.58 118.95 120.21 1rg1 s ARG 170 Ca 0.57 2.07 -0.02 0.00 -0.13 0.00 0.00 55.73 58.22 1rg1 s ARG 170 Cb -0.13 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1rg1 s ARG 170 CO 0.54 -0.07 -0.09 0.08 -0.81 0.00 0.00 175.30 174.95 1rg1 s VAL 171 N -1.16 2.87 -0.19 7.11 1.01 -1.26 -4.57 120.40 124.20 1rg1 s VAL 171 Ca 0.48 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1rg1 s VAL 171 Cb -0.37 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1rg1 s VAL 171 CO 0.48 0.40 1.44 -0.55 0.00 0.00 0.00 175.10 176.88 1rg1 s SER 172 N 1.39 6.67 0.00 3.32 0.15 0.51 -3.29 113.70 122.45 1rg1 s SER 172 Ca 0.04 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1rg1 s SER 172 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1rg1 s SER 172 CO -0.06 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1rg1 n GLY 173 N 4.16 2.10 3.82 9.45 0.00 -1.26 -4.84 105.19 118.62 1rg1 n GLY 173 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1rg1 n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rg1 s VAL 174 N -2.07 3.83 0.42 1.61 -7.23 -1.21 -5.01 120.40 110.74 1rg1 s VAL 174 Ca 0.00 0.59 -0.27 0.00 -1.81 0.00 0.00 61.98 60.50 1rg1 s VAL 174 Cb 0.00 -3.38 -0.10 0.00 0.56 0.00 0.00 36.38 33.47 1rg1 s VAL 174 CO 0.00 -0.77 1.47 -0.54 -0.31 0.00 0.00 175.10 174.94 1rg1 s LYS 175 N -5.11 3.87 0.48 4.82 1.02 -1.26 -4.89 119.74 118.68 1rg1 s LYS 175 Ca 0.58 2.51 0.28 0.00 0.02 0.00 0.00 55.97 59.37 1rg1 s LYS 175 Cb -0.14 -2.80 1.35 0.00 -0.52 0.00 0.00 37.83 35.72 1rg1 s LYS 175 CO 0.55 -0.71 1.81 -1.35 -0.92 0.00 0.00 175.35 174.73 1rg1 h PRO 176 N 2.62 0.17 0.00 -1.68 0.11 -1.98 0.12 132.00 131.37 1rg1 h PRO 176 Ca -0.51 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1rg1 h PRO 176 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rg1 h PRO 176 CO 0.62 0.11 -0.02 1.57 -0.21 0.00 0.00 178.00 180.07 1rg1 h LYS 177 N 0.17 0.00 -0.01 1.05 2.10 -2.01 0.42 116.57 118.29 1rg1 h LYS 177 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 1rg1 h LYS 177 Cb 1.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 1rg1 h LYS 177 CO -0.13 0.02 -0.28 0.66 -2.00 0.00 0.00 179.45 177.72 1rg1 n TYR 178 N -3.30 0.00 0.26 0.07 4.01 0.43 -4.00 117.16 114.64 1rg1 n TYR 178 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1rg1 n TYR 178 Cb 0.14 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1rg1 n TYR 178 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rg1 n ASN 179 N -0.30 0.58 -0.16 7.72 3.02 -0.13 -4.75 115.26 121.25 1rg1 n ASN 179 Ca 0.12 -0.79 -0.05 0.00 -0.03 0.00 0.00 54.58 53.83 1rg1 n ASN 179 Cb 0.39 0.74 0.05 0.00 -0.61 0.00 0.00 39.78 40.35 1rg1 n ASN 179 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1rg1 h SER 180 N 0.31 0.33 -0.57 6.41 4.64 -1.14 -1.93 113.55 121.61 1rg1 h SER 180 Ca 0.00 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1rg1 h SER 180 Cb 0.16 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1rg1 h SER 180 CO 0.00 0.23 0.10 0.61 -0.87 0.00 0.00 176.83 176.90 1rg1 n GLY 181 N -1.24 3.05 3.92 -0.77 0.00 -1.26 -4.96 105.19 103.92 1rg1 n GLY 181 Ca 0.04 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1rg1 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg1 s ALA 182 N -2.63 3.90 -0.06 4.61 0.00 -0.73 -4.64 121.76 122.21 1rg1 s ALA 182 Ca 0.49 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1rg1 s ALA 182 Cb 0.38 -1.51 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 1rg1 s ALA 182 CO 0.13 0.14 -0.21 -0.51 0.00 0.00 0.00 175.76 175.31 1rg1 s LEU 183 N -3.99 1.98 0.40 0.00 1.43 -0.12 -4.74 118.68 113.64 1rg1 s LEU 183 Ca 0.38 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1rg1 s LEU 183 Cb -0.08 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1rg1 s LEU 183 CO 0.28 0.18 0.63 -2.28 0.23 0.00 0.00 176.35 175.38 1rg1 s HIS 184 N 0.08 3.42 0.53 0.29 5.65 -1.26 -1.79 115.29 122.21 1rg1 s HIS 184 Ca -0.08 0.39 0.18 0.00 0.25 0.00 0.00 55.06 55.80 1rg1 s HIS 184 Cb -0.14 -2.10 1.34 0.00 -1.18 0.00 0.00 32.58 30.50 1rg1 s HIS 184 CO 0.04 -0.10 2.14 0.97 -0.65 0.00 0.00 174.74 177.14 1rg1 h ILE 185 N 0.55 0.92 -0.27 0.89 2.10 -1.96 -1.32 117.51 118.41 1rg1 h ILE 185 Ca -0.48 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.41 1rg1 h ILE 185 Cb 1.23 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.91 1rg1 h ILE 185 CO 0.60 0.00 -0.06 0.11 -1.08 0.00 0.00 178.15 177.72 1rg1 h LYS 186 N 0.00 0.42 -0.40 2.19 1.57 -1.95 -2.02 116.57 116.39 1rg1 h LYS 186 Ca 0.03 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1rg1 h LYS 186 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1rg1 h LYS 186 CO -0.00 0.50 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.79 1rg1 h ASP 187 N 0.40 0.83 -0.18 0.86 3.45 -1.60 -2.61 116.42 117.56 1rg1 h ASP 187 Ca 0.08 -0.39 -0.07 0.00 0.43 0.00 0.00 57.03 57.08 1rg1 h ASP 187 Cb 0.37 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1rg1 h ASP 187 CO 0.02 1.03 -0.11 0.40 -1.57 0.00 0.00 179.24 179.01 1rg1 h ILE 188 N 0.62 1.23 -0.05 0.35 2.04 -1.10 -2.59 117.51 118.02 1rg1 h ILE 188 Ca 0.09 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1rg1 h ILE 188 Cb 0.70 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1rg1 h ILE 188 CO 0.05 0.34 0.00 0.18 0.00 0.00 0.00 178.15 178.72 1rg1 n LEU 189 N -4.20 2.13 -4.75 1.44 4.77 -0.80 -4.79 117.00 110.79 1rg1 n LEU 189 Ca 0.01 -0.73 -0.37 0.00 -0.03 0.00 0.00 56.01 54.89 1rg1 n LEU 189 Cb 0.32 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1rg1 n LEU 189 CO 0.41 0.37 0.88 -0.94 -1.33 0.00 0.00 177.39 176.77 1rg1 s SER 190 N -1.95 5.18 0.61 -1.43 1.04 -0.98 -4.49 113.70 111.68 1rg1 s SER 190 Ca 0.34 2.50 0.29 0.00 0.48 0.00 0.00 55.95 59.56 1rg1 s SER 190 Cb 0.20 -2.61 1.53 0.00 0.10 0.00 0.00 66.02 65.25 1rg1 s SER 190 CO 0.32 -1.61 1.92 -0.65 0.98 0.00 0.00 173.24 174.20 1rg1 h PRO 191 N 1.04 0.00 0.00 4.02 0.11 -1.90 -0.10 132.00 135.17 1rg1 h PRO 191 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1rg1 h PRO 191 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1rg1 h PRO 191 CO 0.56 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.24 1rg1 h LEU 192 N 0.00 0.00 0.00 2.35 3.38 -1.91 -2.49 115.31 116.65 1rg1 h LEU 192 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rg1 h LEU 192 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1rg1 h LEU 192 CO -0.00 0.03 -0.77 0.49 0.09 0.00 0.00 178.44 178.28 1rg1 n PHE 193 N -3.22 0.38 0.00 1.13 3.01 -0.05 -5.01 117.46 113.69 1rg1 n PHE 193 Ca -0.01 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1rg1 n PHE 193 Cb 0.21 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1rg1 n PHE 193 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rg1 n GLY 194 N 1.37 3.78 3.45 1.37 0.00 -0.94 -5.03 105.19 109.19 1rg1 n GLY 194 Ca 0.03 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 1rg1 n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rg1 s THR 195 N -2.00 4.57 0.24 2.61 2.01 -1.26 -4.41 115.64 117.41 1rg1 s THR 195 Ca 0.00 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 1rg1 s THR 195 Cb 0.00 -4.53 -0.11 0.00 0.01 0.00 0.00 72.50 67.87 1rg1 s THR 195 CO 0.00 -1.17 1.63 -0.22 -0.69 0.00 0.00 174.62 174.17 1rg1 s LEU 196 N 3.40 4.36 -0.15 4.42 2.96 -1.26 -0.88 118.68 131.53 1rg1 s LEU 196 Ca 0.20 2.86 -0.04 0.00 -0.22 0.00 0.00 54.13 56.93 1rg1 s LEU 196 Cb -0.18 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 42.81 1rg1 s LEU 196 CO 0.11 -0.91 -0.17 0.52 -1.32 0.00 0.00 176.35 174.58 1rg1 n VAL 197 N 3.04 0.83 -3.85 1.68 0.31 0.32 -4.83 118.33 115.83 1rg1 n VAL 197 Ca 0.11 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 1rg1 n VAL 197 Cb 0.37 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 1rg1 n VAL 197 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1rg1 s SER 198 N -5.96 -0.25 0.03 4.52 1.04 -1.06 -4.15 113.70 107.88 1rg1 s SER 198 Ca -0.21 -0.62 -0.09 0.00 0.48 0.00 0.00 55.95 55.52 1rg1 s SER 198 Cb 0.07 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1rg1 s SER 198 CO 0.30 -1.29 0.17 -0.94 0.98 0.00 0.00 173.24 172.46 1rg1 s SER 199 N -2.92 0.05 -0.09 7.02 1.04 -0.75 -0.96 113.70 117.09 1rg1 s SER 199 Ca 0.12 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.26 1rg1 s SER 199 Cb -0.05 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 1rg1 s SER 199 CO 0.06 -0.50 -0.24 0.00 0.98 0.00 0.00 173.24 173.53 1rg1 s ALA 200 N -2.27 2.16 -0.31 5.32 0.00 0.06 -1.29 121.76 125.43 1rg1 s ALA 200 Ca -0.08 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1rg1 s ALA 200 Cb -0.03 -0.77 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1rg1 s ALA 200 CO -0.02 0.33 0.01 -0.65 0.00 0.00 0.00 175.76 175.42 1rg1 s GLN 201 N 0.20 2.12 -0.16 0.00 -1.52 0.20 -0.58 119.66 119.91 1rg1 s GLN 201 Ca -0.15 -1.50 -0.19 0.00 -1.95 0.00 0.00 55.36 51.57 1rg1 s GLN 201 Cb -0.17 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.42 1rg1 s GLN 201 CO 0.07 -0.74 0.55 -0.06 -0.25 0.00 0.00 175.29 174.86 1rg1 s PHE 202 N 1.12 3.44 0.21 0.91 0.40 0.97 -0.77 117.98 124.26 1rg1 s PHE 202 Ca -0.01 0.89 -0.19 0.00 -0.60 0.00 0.00 56.93 57.02 1rg1 s PHE 202 Cb -0.20 -2.68 0.07 0.00 0.51 0.00 0.00 43.02 40.72 1rg1 s PHE 202 CO -0.04 -0.01 0.94 -1.71 0.70 0.00 0.00 175.22 175.10 1rg1 n ASN 203 N 4.39 -1.76 -0.09 1.36 2.85 -0.52 -1.96 115.26 119.53 1rg1 n ASN 203 Ca -0.04 -1.99 -0.10 0.00 -0.11 0.00 0.00 54.58 52.33 1rg1 n ASN 203 Cb 0.51 2.88 -0.03 0.00 1.24 0.00 0.00 39.78 44.37 1rg1 n ASN 203 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rg1 n TYR 204 N -0.66 0.00 -4.25 1.20 9.36 -1.24 -4.35 117.16 117.22 1rg1 n TYR 204 Ca -0.03 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.85 1rg1 n TYR 204 Cb 0.56 -0.53 -0.08 0.00 -0.63 0.00 0.00 39.34 38.66 1rg1 n TYR 204 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rg1 s PHE 206 N -1.06 0.61 -0.38 0.00 0.40 -1.26 -0.78 117.98 115.51 1rg1 s PHE 206 Ca 0.19 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 1rg1 s PHE 206 Cb -0.12 -0.54 0.08 0.00 0.51 0.00 0.00 43.02 42.96 1rg1 s PHE 206 CO 0.09 -0.13 0.17 0.34 0.70 0.00 0.00 175.22 176.39 1rg1 s ASP 207 N 0.66 5.28 0.08 1.36 -1.08 0.53 -4.95 116.67 118.54 1rg1 s ASP 207 Ca -0.08 -1.67 -0.16 0.00 -0.52 0.00 0.00 52.55 50.12 1rg1 s ASP 207 Cb -0.11 -1.85 -0.11 0.00 -1.46 0.00 0.00 42.92 39.39 1rg1 s ASP 207 CO -0.00 -0.47 1.37 0.58 0.52 0.00 0.00 175.17 177.18 1rg1 h VAL 208 N 6.30 1.32 -0.38 1.11 2.07 -1.89 0.15 116.25 124.92 1rg1 h VAL 208 Ca -0.18 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 65.89 1rg1 h VAL 208 Cb 1.06 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 1rg1 h VAL 208 CO 0.67 0.48 -0.15 0.44 0.02 0.00 0.00 177.57 179.03 1rg1 h ASP 209 N 0.34 -0.52 -0.44 0.57 3.45 -1.95 -1.36 116.42 116.52 1rg1 h ASP 209 Ca 0.02 0.13 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 1rg1 h ASP 209 Cb 0.92 0.30 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 1rg1 h ASP 209 CO 0.08 -0.18 0.13 -0.25 -1.57 0.00 0.00 179.24 177.44 1rg1 h TRP 210 N -0.07 0.71 -0.28 4.55 7.01 -1.86 -3.11 115.95 122.89 1rg1 h TRP 210 Ca 0.19 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1rg1 h TRP 210 Cb 0.36 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1rg1 h TRP 210 CO -0.39 0.65 0.18 1.25 -2.79 0.00 0.00 178.44 177.34 1rg1 h LEU 211 N 0.57 0.34 -1.00 0.65 5.85 -0.20 -2.21 115.31 119.30 1rg1 h LEU 211 Ca 0.14 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1rg1 h LEU 211 Cb 0.28 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1rg1 h LEU 211 CO -0.00 0.27 0.64 0.58 -0.34 0.00 0.00 178.44 179.59 1rg1 h VAL 212 N 0.37 1.03 0.00 1.05 2.07 -1.31 0.10 116.25 119.56 1rg1 h VAL 212 Ca 0.10 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1rg1 h VAL 212 Cb -0.01 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.57 1rg1 h VAL 212 CO -0.02 0.20 0.00 0.11 0.02 0.00 0.00 177.57 177.88 1rg1 h LYS 213 N 1.12 0.00 0.00 1.57 1.57 -1.33 -2.47 116.57 117.02 1rg1 h LYS 213 Ca 0.45 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.17 1rg1 h LYS 213 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1rg1 h LYS 213 CO -0.20 0.00 -0.33 1.96 -0.57 0.00 0.00 179.45 180.31 1rg1 h GLN 214 N 0.00 0.00 -6.92 3.15 1.08 -0.63 -3.44 115.11 108.35 1rg1 h GLN 214 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 1rg1 h GLN 214 Cb 0.27 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1rg1 h GLN 214 CO 0.00 0.33 0.44 0.71 -0.95 0.00 0.00 178.83 179.35 1rg1 s TYR 215 N -3.23 3.31 0.55 2.96 1.51 -0.93 -4.45 117.35 117.06 1rg1 s TYR 215 Ca 0.03 1.65 -0.21 0.00 -1.01 0.00 0.00 57.07 57.53 1rg1 s TYR 215 Cb 0.08 -3.20 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 1rg1 s TYR 215 CO 0.70 -0.71 1.24 -2.14 -1.11 0.00 0.00 175.55 173.53 1rg1 s PRO 216 N -2.23 3.22 0.32 -1.71 0.02 -1.26 -4.78 135.00 128.58 1rg1 s PRO 216 Ca 0.55 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.59 1rg1 s PRO 216 Cb -0.25 -2.15 0.82 0.00 0.02 0.00 0.00 34.50 32.94 1rg1 s PRO 216 CO 0.32 -1.04 1.77 -1.35 -0.33 0.00 0.00 177.00 176.37 1rg1 h PRO 217 N 1.35 0.66 0.00 5.54 0.11 -1.94 0.40 132.00 138.12 1rg1 h PRO 217 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1rg1 h PRO 217 Cb 1.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1rg1 h PRO 217 CO 0.57 0.43 0.00 1.05 -0.21 0.00 0.00 178.00 179.84 1rg1 h GLU 218 N 0.68 0.00 -0.02 1.05 9.09 -2.03 -2.96 114.58 120.40 1rg1 h GLU 218 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1rg1 h GLU 218 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 1rg1 h GLU 218 CO -0.38 0.00 -0.07 1.19 0.05 0.00 0.00 179.01 179.80 1rg1 n PHE 219 N -2.59 0.00 0.34 2.06 3.72 0.14 -4.71 117.46 116.42 1rg1 n PHE 219 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1rg1 n PHE 219 Cb 0.21 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.28 1rg1 n PHE 219 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rg1 h ARG 220 N 2.62 0.00 -0.15 -1.08 3.08 -1.29 -1.92 114.38 115.63 1rg1 h ARG 220 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rg1 h ARG 220 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1rg1 h ARG 220 CO 0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 1rg1 n LYS 221 N -2.33 1.71 -1.66 0.04 5.02 -1.26 -4.98 118.16 114.70 1rg1 n LYS 221 Ca 0.01 -1.71 -0.35 0.00 -2.02 0.00 0.00 58.31 54.25 1rg1 n LYS 221 Cb 0.20 -1.34 0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1rg1 n LYS 221 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rg1 s LYS 222 N -1.28 2.50 0.34 1.97 -0.14 -0.72 -4.81 119.74 117.60 1rg1 s LYS 222 Ca 0.23 1.72 -0.29 0.00 -1.36 0.00 0.00 55.97 56.28 1rg1 s LYS 222 Cb 0.15 -1.88 -0.11 0.00 -1.68 0.00 0.00 37.83 34.31 1rg1 s LYS 222 CO 0.21 -1.55 1.45 -2.14 -0.76 0.00 0.00 175.35 172.56 1rg1 s PRO 223 N -3.76 4.20 -0.08 -1.68 0.02 -1.26 -4.87 135.00 127.56 1rg1 s PRO 223 Ca 0.74 2.45 0.03 0.00 0.02 0.00 0.00 61.00 64.24 1rg1 s PRO 223 Cb -0.28 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1rg1 s PRO 223 CO 0.41 -0.44 -0.18 0.42 -0.33 0.00 0.00 177.00 176.88 1rg1 s ILE 224 N -0.86 1.58 -0.16 2.83 1.01 -0.63 -1.80 121.20 123.17 1rg1 s ILE 224 Ca 0.54 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 1rg1 s ILE 224 Cb -0.44 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1rg1 s ILE 224 CO 0.56 0.45 -0.03 -0.22 0.00 0.00 0.00 174.94 175.71 1rg1 s LEU 225 N 0.47 3.28 -0.26 2.97 2.96 -0.41 -1.20 118.68 126.49 1rg1 s LEU 225 Ca -0.16 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1rg1 s LEU 225 Cb -0.17 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1rg1 s LEU 225 CO 0.06 0.15 0.12 -0.76 -1.32 0.00 0.00 176.35 174.61 1rg1 s LEU 226 N 0.45 3.72 -0.29 -0.68 1.43 -0.32 0.60 118.68 123.59 1rg1 s LEU 226 Ca -0.03 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1rg1 s LEU 226 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1rg1 s LEU 226 CO 0.03 -0.03 0.07 -0.69 0.23 0.00 0.00 176.35 175.96 1rg1 s VAL 227 N 1.59 3.97 0.32 -1.59 1.01 0.05 -0.56 120.40 125.19 1rg1 s VAL 227 Ca 0.06 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1rg1 s VAL 227 Cb -0.15 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1rg1 s VAL 227 CO 0.07 0.11 0.21 -1.38 0.00 0.00 0.00 175.10 174.10 1rg1 s HIS 228 N 1.51 1.65 -0.06 5.22 -0.00 -0.66 -1.44 115.29 121.52 1rg1 s HIS 228 Ca 0.03 -1.50 0.08 0.00 -0.00 0.00 0.00 55.06 53.68 1rg1 s HIS 228 Cb -0.17 -0.80 0.13 0.00 -0.00 0.00 0.00 32.58 31.74 1rg1 s HIS 228 CO 0.02 -0.66 1.01 0.41 -0.00 0.00 0.00 174.74 175.52 1rg1 n GLY 229 N -0.62 2.53 3.77 -1.38 0.00 -1.26 -0.57 105.19 107.67 1rg1 n GLY 229 Ca 0.03 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1rg1 n GLY 229 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rg1 s ASP 230 N -1.72 6.29 0.25 1.61 1.01 -1.26 -4.81 116.67 118.04 1rg1 s ASP 230 Ca 0.14 2.33 0.10 0.00 0.71 0.00 0.00 52.55 55.84 1rg1 s ASP 230 Cb 0.12 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1rg1 s ASP 230 CO 0.01 -0.83 -0.18 -0.54 0.21 0.00 0.00 175.17 173.84 1rg1 s LYS 231 N -2.55 1.53 3.41 8.23 1.02 -1.26 -4.46 119.74 125.66 1rg1 s LYS 231 Ca 0.61 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1rg1 s LYS 231 Cb -0.30 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1rg1 s LYS 231 CO 0.36 0.27 0.00 0.54 -0.92 0.00 0.00 175.35 175.60 1rg1 n ARG 232 N -0.51 0.00 0.06 1.68 1.74 -1.26 -1.72 116.66 116.65 1rg1 n ARG 232 Ca -0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.95 1rg1 n ARG 232 Cb 0.60 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.14 1rg1 n ARG 232 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rg1 h GLU 233 N 0.00 0.33 -0.57 5.56 5.08 -1.98 -0.57 114.58 122.43 1rg1 h GLU 233 Ca 0.00 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1rg1 h GLU 233 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1rg1 h GLU 233 CO 0.00 0.83 0.02 0.00 -1.00 0.00 0.00 179.01 178.87 1rg1 h ALA 234 N 1.12 0.76 -0.63 3.43 0.00 -1.73 -0.33 119.26 121.88 1rg1 h ALA 234 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1rg1 h ALA 234 Cb 1.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1rg1 h ALA 234 CO 0.10 0.57 0.40 -0.22 0.00 0.00 0.00 179.25 180.10 1rg1 h LYS 235 N 0.88 0.78 -0.42 0.00 3.64 -0.87 -1.09 116.57 119.48 1rg1 h LYS 235 Ca 0.16 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1rg1 h LYS 235 Cb 0.51 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1rg1 h LYS 235 CO 0.02 0.51 -0.05 0.00 -2.27 0.00 0.00 179.45 177.67 1rg1 h ALA 236 N 1.26 1.12 -0.51 5.00 0.00 -0.81 -0.06 119.26 125.26 1rg1 h ALA 236 Ca 0.25 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1rg1 h ALA 236 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rg1 h ALA 236 CO -0.08 0.56 0.08 1.25 0.00 0.00 0.00 179.25 181.06 1rg1 h HIS 237 N 0.66 0.90 -0.43 0.00 -0.00 -0.50 -0.97 115.15 114.81 1rg1 h HIS 237 Ca 0.13 -0.12 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 1rg1 h HIS 237 Cb 0.48 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1rg1 h HIS 237 CO 0.02 0.81 -0.07 1.25 -0.00 0.00 0.00 177.93 179.95 1rg1 h LEU 238 N 0.72 0.81 -0.44 0.26 5.85 -0.78 -1.17 115.31 120.56 1rg1 h LEU 238 Ca 0.15 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1rg1 h LEU 238 Cb 0.40 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1rg1 h LEU 238 CO 0.01 0.96 0.19 0.45 -0.34 0.00 0.00 178.44 179.71 1rg1 h HIS 239 N 0.64 0.35 -0.79 1.25 3.86 -0.92 -1.31 115.15 118.22 1rg1 h HIS 239 Ca 0.11 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1rg1 h HIS 239 Cb 0.59 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1rg1 h HIS 239 CO 0.05 0.16 0.52 0.00 0.86 0.00 0.00 177.93 179.52 1rg1 h ALA 240 N 1.26 1.49 -0.57 2.45 0.00 -0.93 -0.09 119.26 122.87 1rg1 h ALA 240 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1rg1 h ALA 240 Cb 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1rg1 h ALA 240 CO -0.17 0.45 0.30 1.96 0.00 0.00 0.00 179.25 181.79 1rg1 h GLN 241 N 1.01 0.81 0.00 0.00 4.20 -0.46 -3.07 115.11 117.60 1rg1 h GLN 241 Ca 0.31 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1rg1 h GLN 241 Cb -0.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1rg1 h GLN 241 CO -0.08 0.64 -0.41 0.00 -0.67 0.00 0.00 178.83 178.32 1rg1 h ALA 242 N 1.13 0.83 -0.95 3.87 0.00 -0.60 -3.39 119.26 120.14 1rg1 h ALA 242 Ca 0.20 -0.37 0.29 0.00 0.00 0.00 0.00 54.91 55.03 1rg1 h ALA 242 Cb 0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 1rg1 h ALA 242 CO -0.03 0.51 0.37 -0.22 0.00 0.00 0.00 179.25 179.88 1rg1 h LYS 243 N 0.00 0.21 0.00 0.00 1.63 -0.93 0.02 116.57 117.50 1rg1 h LYS 243 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1rg1 h LYS 243 Cb 1.13 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1rg1 h LYS 243 CO 0.05 0.14 0.00 -1.35 -3.45 0.00 0.00 179.45 174.84 1rg1 h PRO 244 N 0.22 0.00 -4.26 1.90 0.11 -1.79 -3.40 132.00 124.78 1rg1 h PRO 244 Ca 0.65 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 66.02 1rg1 h PRO 244 Cb 1.43 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.28 1rg1 h PRO 244 CO -0.67 0.00 -0.34 0.71 -0.21 0.00 0.00 178.00 177.49 1rg1 s TYR 245 N -3.44 3.32 0.46 0.65 2.02 -0.01 -4.95 117.35 115.41 1rg1 s TYR 245 Ca 0.04 -1.45 0.34 0.00 -0.37 0.00 0.00 57.07 55.63 1rg1 s TYR 245 Cb 0.09 -3.44 1.79 0.00 -0.40 0.00 0.00 41.96 40.01 1rg1 s TYR 245 CO 0.50 -0.94 2.18 0.93 -1.57 0.00 0.00 175.55 176.65 1rg1 h GLU 246 N 8.64 0.00 -0.04 -0.62 5.08 -1.81 -2.23 114.58 123.60 1rg1 h GLU 246 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1rg1 h GLU 246 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1rg1 h GLU 246 CO 0.90 0.05 0.00 0.27 -1.00 0.00 0.00 179.01 179.23 1rg1 n ASN 247 N -3.40 0.60 -4.58 1.42 6.94 -1.26 -4.84 115.26 110.14 1rg1 n ASN 247 Ca -0.02 -1.41 -0.35 0.00 -0.02 0.00 0.00 54.58 52.79 1rg1 n ASN 247 Cb 0.18 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.47 1rg1 n ASN 247 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1rg1 s ILE 248 N -1.95 4.56 0.34 1.53 1.01 -0.84 -1.60 121.20 124.25 1rg1 s ILE 248 Ca 0.35 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.98 1rg1 s ILE 248 Cb 0.17 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1rg1 s ILE 248 CO 0.28 0.45 0.01 -0.44 0.00 0.00 0.00 174.94 175.23 1rg1 s SER 249 N 0.57 4.15 -0.01 3.58 0.01 -0.34 -4.99 113.70 116.68 1rg1 s SER 249 Ca 0.02 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.32 1rg1 s SER 249 Cb -0.13 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.57 1rg1 s SER 249 CO 0.01 -0.24 -0.14 -0.76 0.41 0.00 0.00 173.24 172.52 1rg1 s LEU 250 N -3.71 2.04 -0.19 2.44 1.02 -1.26 -1.17 118.68 117.85 1rg1 s LEU 250 Ca 0.35 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.23 1rg1 s LEU 250 Cb 0.00 -0.73 0.04 0.00 0.02 0.00 0.00 46.19 45.51 1rg1 s LEU 250 CO 0.19 0.17 -0.13 0.00 0.02 0.00 0.00 176.35 176.60 1rg1 s GLN 252 N 1.38 3.32 0.27 0.00 0.74 -1.26 -1.65 119.66 122.47 1rg1 s GLN 252 Ca 0.01 -0.30 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 1rg1 s GLN 252 Cb -0.15 -3.98 -0.10 0.00 1.10 0.00 0.00 33.01 29.89 1rg1 s GLN 252 CO -0.09 -1.15 1.24 0.00 -0.55 0.00 0.00 175.29 174.73 1rg1 s ALA 253 N 3.17 3.47 0.15 1.58 0.00 0.27 -4.97 121.76 125.42 1rg1 s ALA 253 Ca 0.26 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1rg1 s ALA 253 Cb -0.14 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1rg1 s ALA 253 CO 0.20 -0.45 1.10 -1.59 0.00 0.00 0.00 175.76 175.02 1rg1 s LYS 254 N -1.17 4.57 -0.61 0.00 -2.85 -1.26 -4.67 119.74 113.75 1rg1 s LYS 254 Ca 0.50 1.70 0.05 0.00 -1.00 0.00 0.00 55.97 57.21 1rg1 s LYS 254 Cb -0.36 -3.30 0.17 0.00 -2.06 0.00 0.00 37.83 32.28 1rg1 s LYS 254 CO 0.45 0.02 0.45 1.28 0.10 0.00 0.00 175.35 177.65 1rg1 n LEU 255 N 2.70 1.92 -0.32 2.77 4.77 -1.26 -4.92 117.00 122.66 1rg1 n LEU 255 Ca 0.04 -4.95 0.10 0.00 -0.03 0.00 0.00 56.01 51.17 1rg1 n LEU 255 Cb 0.47 -0.34 0.46 0.00 -2.33 0.00 0.00 43.42 41.68 1rg1 n LEU 255 CO 0.54 1.80 0.82 0.47 -1.33 0.00 0.00 177.39 179.68 1rg1 n ASP 256 N 2.20 0.97 -4.26 -1.43 10.43 -1.26 -4.69 116.55 118.50 1rg1 n ASP 256 Ca 0.23 -1.57 -0.33 0.00 2.57 0.00 0.00 54.79 55.69 1rg1 n ASP 256 Cb 0.39 -0.06 -0.16 0.00 1.84 0.00 0.00 41.12 43.14 1rg1 n ASP 256 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1rg1 s ILE 257 N -1.89 2.49 0.31 0.53 1.01 -1.26 -5.10 121.20 117.30 1rg1 s ILE 257 Ca 0.31 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1rg1 s ILE 257 Cb 0.16 -2.01 -0.13 0.00 0.01 0.00 0.00 42.46 40.48 1rg1 s ILE 257 CO 0.25 0.54 1.26 0.00 0.00 0.00 0.00 174.94 176.99 1rg1 n ALA 258 N 3.76 0.99 -1.06 9.38 0.00 -1.26 -2.46 120.51 129.85 1rg1 n ALA 258 Ca -0.19 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 1rg1 n ALA 258 Cb 0.52 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 1rg1 n ALA 258 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1rg1 n PHE 259 N 0.62 0.00 -2.24 0.00 3.72 -1.26 -4.99 117.46 113.30 1rg1 n PHE 259 Ca 0.07 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.16 1rg1 n PHE 259 Cb 0.34 -1.06 -0.01 0.00 -0.94 0.00 0.00 39.48 37.82 1rg1 n PHE 259 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1rg1 s GLY 260 N -2.23 1.74 0.08 1.37 0.00 -1.03 -4.89 107.32 102.36 1rg1 s GLY 260 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1rg1 s GLY 260 CO 0.00 0.11 -0.06 -0.51 0.00 0.00 0.00 173.10 172.64 1rg1 s THR 261 N -2.89 0.57 -0.92 0.90 -4.23 -1.26 -4.94 115.64 102.87 1rg1 s THR 261 Ca 0.54 -1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 59.11 1rg1 s THR 261 Cb -0.11 -1.42 0.11 0.00 1.34 0.00 0.00 72.50 72.42 1rg1 s THR 261 CO 0.45 -0.80 1.19 -2.28 -0.54 0.00 0.00 174.62 172.64 1rg1 s HIS 262 N -3.21 2.93 -0.10 3.99 2.46 -1.26 -1.61 115.29 118.50 1rg1 s HIS 262 Ca 0.06 -1.17 0.22 0.00 0.47 0.00 0.00 55.06 54.65 1rg1 s HIS 262 Cb 0.03 -4.38 -0.23 0.00 -0.13 0.00 0.00 32.58 27.86 1rg1 s HIS 262 CO -0.05 -1.61 0.64 1.58 -2.47 0.00 0.00 174.74 172.83 1rg1 n HIS 263 N 7.22 0.31 -1.53 3.88 -0.00 -0.23 -3.70 115.22 121.17 1rg1 n HIS 263 Ca 0.23 0.09 -0.56 0.00 -0.00 0.00 0.00 57.72 57.48 1rg1 n HIS 263 Cb 0.49 -0.66 -0.07 0.00 -0.00 0.00 0.00 29.99 29.75 1rg1 n HIS 263 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1rg1 n THR 264 N -2.41 0.15 -3.81 3.57 -1.04 -0.72 -4.52 114.28 105.50 1rg1 n THR 264 Ca -0.04 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 1rg1 n THR 264 Cb 0.58 -0.29 -0.12 0.00 -1.82 0.00 0.00 70.33 68.67 1rg1 n THR 264 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rg1 s LYS 265 N 0.08 2.16 -0.01 -2.82 3.01 -1.26 -2.85 119.74 118.05 1rg1 s LYS 265 Ca 0.87 -1.62 -0.03 0.00 -1.01 0.00 0.00 55.97 54.18 1rg1 s LYS 265 Cb -1.13 -3.47 -0.00 0.00 -1.01 0.00 0.00 37.83 32.22 1rg1 s LYS 265 CO 0.54 -0.92 0.06 1.41 0.51 0.00 0.00 175.35 176.95 1rg1 s MET 266 N 1.19 0.21 -0.09 1.68 1.75 -0.83 -1.48 119.30 121.73 1rg1 s MET 266 Ca 0.04 -0.15 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 1rg1 s MET 266 Cb -0.22 0.09 -0.02 0.00 2.84 0.00 0.00 34.83 37.52 1rg1 s MET 266 CO -0.03 -0.04 -0.14 -1.64 -0.65 0.00 0.00 175.02 172.52 1rg1 s MET 267 N -0.56 2.91 -0.22 4.11 -1.94 0.58 -0.02 119.30 124.16 1rg1 s MET 267 Ca -0.06 -0.71 -0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1rg1 s MET 267 Cb -0.04 -2.48 -0.01 0.00 2.01 0.00 0.00 34.83 34.31 1rg1 s MET 267 CO 0.00 0.42 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.89 1rg1 s LEU 268 N -0.20 2.97 -0.33 -0.03 1.43 0.25 -1.49 118.68 121.29 1rg1 s LEU 268 Ca 0.00 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1rg1 s LEU 268 Cb -0.13 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.42 1rg1 s LEU 268 CO 0.03 -0.01 0.03 -0.76 0.23 0.00 0.00 176.35 175.87 1rg1 s LEU 269 N 1.42 4.35 -0.22 1.79 1.43 -0.24 -0.76 118.68 126.45 1rg1 s LEU 269 Ca 0.05 -2.00 -0.18 0.00 -1.03 0.00 0.00 54.13 50.97 1rg1 s LEU 269 Cb -0.14 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1rg1 s LEU 269 CO -0.02 -0.36 0.51 -0.22 0.23 0.00 0.00 176.35 176.49 1rg1 s LEU 270 N 0.99 4.12 0.45 1.79 2.96 -0.14 -0.92 118.68 127.94 1rg1 s LEU 270 Ca 0.08 0.61 0.06 0.00 -0.22 0.00 0.00 54.13 54.67 1rg1 s LEU 270 Cb -0.19 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 1rg1 s LEU 270 CO -0.09 -0.20 0.26 -0.31 -1.32 0.00 0.00 176.35 174.69 1rg1 s TYR 271 N 1.81 2.33 0.33 5.38 2.02 0.23 0.12 117.35 129.57 1rg1 s TYR 271 Ca 0.23 -0.66 0.09 0.00 -0.37 0.00 0.00 57.07 56.36 1rg1 s TYR 271 Cb -0.15 -1.97 0.59 0.00 -0.40 0.00 0.00 41.96 40.02 1rg1 s TYR 271 CO 0.09 -0.04 1.77 0.93 -1.57 0.00 0.00 175.55 176.74 1rg1 h GLU 272 N 1.18 0.17 0.00 -0.62 5.08 -1.33 -3.24 114.58 115.81 1rg1 h GLU 272 Ca -0.41 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1rg1 h GLU 272 Cb 1.27 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1rg1 h GLU 272 CO 0.65 0.50 -0.67 0.93 -1.00 0.00 0.00 179.01 179.42 1rg1 h GLU 273 N 0.15 0.00 0.00 2.33 3.07 -1.95 -3.50 114.58 114.67 1rg1 h GLU 273 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1rg1 h GLU 273 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1rg1 h GLU 273 CO 0.05 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.07 1rg1 n GLY 274 N 1.15 -0.56 2.98 -3.84 0.00 -1.23 -4.62 105.19 99.09 1rg1 n GLY 274 Ca 0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1rg1 n GLY 274 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rg1 s LEU 275 N 0.00 2.13 0.02 0.99 2.96 0.03 -0.60 118.68 124.21 1rg1 s LEU 275 Ca 0.00 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1rg1 s LEU 275 Cb 0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 1rg1 s LEU 275 CO 0.00 -0.10 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.17 1rg1 s ARG 276 N -0.82 1.14 -0.07 1.98 3.52 -0.10 -0.20 118.95 124.41 1rg1 s ARG 276 Ca -0.05 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 1rg1 s ARG 276 Cb -0.06 -1.16 -0.02 0.00 -1.56 0.00 0.00 34.95 32.16 1rg1 s ARG 276 CO -0.00 0.30 -0.18 0.08 -0.81 0.00 0.00 175.30 174.69 1rg1 s VAL 277 N -0.68 2.73 -0.17 7.11 1.01 -1.26 -1.08 120.40 128.06 1rg1 s VAL 277 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1rg1 s VAL 277 Cb -0.07 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1rg1 s VAL 277 CO 0.01 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 1rg1 s VAL 278 N -0.27 1.48 -0.15 2.92 1.01 -0.55 -1.42 120.40 123.41 1rg1 s VAL 278 Ca 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1rg1 s VAL 278 Cb -0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1rg1 s VAL 278 CO 0.03 0.30 -0.08 -0.63 0.00 0.00 0.00 175.10 174.72 1rg1 s ILE 279 N 1.49 3.48 0.00 2.22 1.01 -0.95 -0.30 121.20 128.15 1rg1 s ILE 279 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1rg1 s ILE 279 Cb -0.14 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1rg1 s ILE 279 CO -0.09 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.34 1rg1 n HIS 280 N 3.71 -0.44 -0.41 3.97 1.44 -0.55 0.34 115.22 123.28 1rg1 n HIS 280 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1rg1 n HIS 280 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1rg1 n HIS 280 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1rg1 n THR 281 N 0.00 0.13 -3.76 0.61 -2.24 -0.95 -4.26 114.28 103.81 1rg1 n THR 281 Ca 0.00 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 1rg1 n THR 281 Cb 0.00 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1rg1 n THR 281 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rg1 s SER 282 N -0.13 6.48 0.86 3.42 0.01 -1.26 -4.73 113.70 118.34 1rg1 s SER 282 Ca 0.00 0.57 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 1rg1 s SER 282 Cb 0.00 -2.12 0.11 0.00 0.21 0.00 0.00 66.02 64.22 1rg1 s SER 282 CO 0.00 0.35 1.09 0.20 0.41 0.00 0.00 173.24 175.29 1rg1 s ASN 283 N -0.83 3.73 -1.22 2.44 0.01 -1.26 -4.91 114.94 112.90 1rg1 s ASN 283 Ca 0.17 1.59 -0.05 0.00 -0.71 0.00 0.00 52.86 53.86 1rg1 s ASN 283 Cb -0.13 -2.27 0.20 0.00 0.41 0.00 0.00 41.25 39.46 1rg1 s ASN 283 CO 0.06 -2.49 2.07 0.18 -1.51 0.00 0.00 177.10 175.41 1rg1 n LEU 284 N -3.80 7.51 -4.16 0.60 4.77 0.04 -4.75 117.00 117.21 1rg1 n LEU 284 Ca 0.08 -5.01 -0.13 0.00 -0.03 0.00 0.00 56.01 50.91 1rg1 n LEU 284 Cb 0.55 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.21 1rg1 n LEU 284 CO 0.55 1.92 -0.41 0.27 -1.33 0.00 0.00 177.39 178.39 1rg1 s ILE 285 N -1.90 0.83 0.22 -0.08 -4.36 -1.26 -0.35 121.20 114.30 1rg1 s ILE 285 Ca 0.46 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 59.11 1rg1 s ILE 285 Cb 0.16 -1.38 0.17 0.00 1.25 0.00 0.00 42.46 42.67 1rg1 s ILE 285 CO -0.07 -0.63 1.78 -0.74 0.24 0.00 0.00 174.94 175.52 1rg1 h HIS 286 N 3.48 0.64 0.00 1.37 -0.00 -1.94 -2.53 115.15 116.16 1rg1 h HIS 286 Ca -0.36 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 59.99 1rg1 h HIS 286 Cb 1.18 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1rg1 h HIS 286 CO 0.62 0.24 -0.22 0.00 -0.00 0.00 0.00 177.93 178.57 1rg1 h ALA 287 N 1.42 1.45 0.00 5.26 0.00 -1.97 -2.17 119.26 123.25 1rg1 h ALA 287 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rg1 h ALA 287 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rg1 h ALA 287 CO -0.26 0.27 0.00 -0.44 0.00 0.00 0.00 179.25 178.82 1rg1 h ASP 288 N 0.00 0.00 -0.11 0.00 3.45 -1.74 -3.08 116.42 114.94 1rg1 h ASP 288 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1rg1 h ASP 288 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1rg1 h ASP 288 CO 0.03 0.00 0.00 0.79 -1.57 0.00 0.00 179.24 178.49 1rg1 n TRP 289 N -2.59 0.14 -0.03 4.55 7.02 -0.85 -4.56 117.44 121.14 1rg1 n TRP 289 Ca 0.02 -0.43 -0.02 0.00 -1.02 0.00 0.00 57.50 56.05 1rg1 n TRP 289 Cb 0.31 -0.04 -0.01 0.00 -2.42 0.00 0.00 31.31 29.16 1rg1 n TRP 289 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1rg1 n HIS 290 N -0.08 0.22 -1.96 -5.99 -0.00 -1.03 -4.69 115.22 101.70 1rg1 n HIS 290 Ca 0.04 0.09 0.05 0.00 0.46 0.00 0.00 57.72 58.36 1rg1 n HIS 290 Cb 0.28 -0.35 0.08 0.00 -0.12 0.00 0.00 29.99 29.89 1rg1 n HIS 290 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1rg1 n GLN 291 N -3.19 0.59 -4.04 1.57 6.02 -1.26 -0.36 117.38 116.72 1rg1 n GLN 291 Ca -0.04 -2.21 -0.28 0.00 -0.01 0.00 0.00 57.00 54.46 1rg1 n GLN 291 Cb 0.14 -0.74 -0.05 0.00 1.02 0.00 0.00 30.24 30.61 1rg1 n GLN 291 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1rg1 s LYS 292 N -1.25 3.03 -0.35 -1.09 1.02 -1.26 -3.78 119.74 116.06 1rg1 s LYS 292 Ca 0.28 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 55.26 1rg1 s LYS 292 Cb 0.29 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1rg1 s LYS 292 CO -0.08 0.53 1.00 0.99 -0.92 0.00 0.00 175.35 176.86 1rg1 s THR 293 N -1.62 4.53 0.08 2.17 2.01 -0.11 -4.80 115.64 117.91 1rg1 s THR 293 Ca 0.31 1.42 0.05 0.00 0.31 0.00 0.00 61.69 63.77 1rg1 s THR 293 Cb -0.11 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 1rg1 s THR 293 CO 0.24 -0.54 -0.13 -1.10 -0.69 0.00 0.00 174.62 172.41 1rg1 s GLN 294 N 3.60 0.83 0.06 4.92 -1.52 -1.26 -1.16 119.66 125.13 1rg1 s GLN 294 Ca 0.42 -1.03 0.06 0.00 -1.95 0.00 0.00 55.36 52.85 1rg1 s GLN 294 Cb -0.12 -0.72 -0.04 0.00 -0.22 0.00 0.00 33.01 31.92 1rg1 s GLN 294 CO 0.18 0.14 -0.10 0.20 -0.25 0.00 0.00 175.29 175.47 1rg1 s GLY 295 N -2.00 1.74 -0.03 3.09 0.00 -1.26 -2.41 107.32 106.45 1rg1 s GLY 295 Ca 0.01 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.61 1rg1 s GLY 295 CO 0.02 -1.07 -0.11 -0.42 0.00 0.00 0.00 173.10 171.52 1rg1 s ILE 296 N -1.09 0.93 -0.13 0.90 1.01 0.83 -2.25 121.20 121.39 1rg1 s ILE 296 Ca 0.19 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1rg1 s ILE 296 Cb -0.11 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1rg1 s ILE 296 CO 0.10 0.28 -0.06 0.86 0.00 0.00 0.00 174.94 176.13 1rg1 s TRP 297 N 0.17 2.97 -0.24 3.97 -0.00 0.15 -0.54 118.94 125.42 1rg1 s TRP 297 Ca -0.03 -0.29 -0.03 0.00 -0.00 0.00 0.00 56.10 55.75 1rg1 s TRP 297 Cb -0.09 -1.88 0.01 0.00 -0.00 0.00 0.00 33.47 31.50 1rg1 s TRP 297 CO 0.01 0.02 -0.04 -0.51 -0.00 0.00 0.00 176.95 176.43 1rg1 s LEU 298 N 0.10 3.15 0.89 5.86 1.43 -0.44 -2.24 118.68 127.43 1rg1 s LEU 298 Ca -0.02 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1rg1 s LEU 298 Cb -0.14 -1.72 0.13 0.00 0.03 0.00 0.00 46.19 44.49 1rg1 s LEU 298 CO 0.03 -0.09 1.09 -0.94 0.23 0.00 0.00 176.35 176.67 1rg1 s SER 299 N 1.41 3.46 0.84 2.29 1.04 -0.50 -4.81 113.70 117.43 1rg1 s SER 299 Ca 0.03 1.65 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 1rg1 s SER 299 Cb -0.16 -2.31 0.10 0.00 0.10 0.00 0.00 66.02 63.75 1rg1 s SER 299 CO -0.03 -2.67 1.10 -2.84 0.98 0.00 0.00 173.24 169.78 1rg1 s PRO 300 N -4.86 1.67 -0.34 4.02 0.02 -1.26 -4.77 135.00 129.48 1rg1 s PRO 300 Ca 0.64 1.20 -0.28 0.00 0.02 0.00 0.00 61.00 62.57 1rg1 s PRO 300 Cb -0.19 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 1rg1 s PRO 300 CO 0.57 -2.06 1.70 -1.17 -0.33 0.00 0.00 177.00 175.71 1rg1 s LEU 301 N -6.19 3.54 -0.22 -5.54 2.96 -1.26 -4.62 118.68 107.34 1rg1 s LEU 301 Ca 0.63 1.20 -0.24 0.00 -0.22 0.00 0.00 54.13 55.50 1rg1 s LEU 301 Cb -0.19 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1rg1 s LEU 301 CO 0.57 -1.62 0.80 -0.31 -1.32 0.00 0.00 176.35 174.47 1rg1 s TYR 302 N 6.45 3.34 0.66 5.38 2.02 0.73 -4.86 117.35 131.06 1rg1 s TYR 302 Ca 0.75 1.12 -0.12 0.00 -0.37 0.00 0.00 57.07 58.45 1rg1 s TYR 302 Cb -0.20 -3.00 -0.01 0.00 -0.40 0.00 0.00 41.96 38.34 1rg1 s TYR 302 CO 0.33 -0.34 1.05 -1.25 -1.57 0.00 0.00 175.55 173.78 1rg1 s PRO 303 N 2.57 3.14 0.49 -1.71 0.04 -1.25 -0.79 135.00 137.49 1rg1 s PRO 303 Ca 0.34 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 1rg1 s PRO 303 Cb -0.16 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1rg1 s PRO 303 CO 0.09 -0.94 1.22 1.03 0.04 0.00 0.00 177.00 178.44 1rg1 s ARG 304 N -4.88 3.56 0.20 4.56 0.52 -1.26 -0.24 118.95 121.40 1rg1 s ARG 304 Ca 0.58 1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 57.39 1rg1 s ARG 304 Cb -0.14 -2.35 -0.08 0.00 0.52 0.00 0.00 34.95 32.91 1rg1 s ARG 304 CO 0.51 -0.75 1.06 0.42 0.02 0.00 0.00 175.30 176.56 1rg1 s ILE 305 N -1.48 3.90 0.57 1.52 1.01 0.11 -4.68 121.20 122.16 1rg1 s ILE 305 Ca 0.66 1.73 -0.19 0.00 0.00 0.00 0.00 60.65 62.85 1rg1 s ILE 305 Cb -0.32 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1rg1 s ILE 305 CO 0.38 0.34 0.96 0.00 0.00 0.00 0.00 174.94 176.62 1rg1 n ALA 306 N 2.04 0.16 -1.77 9.38 0.00 -1.26 -4.94 120.51 124.12 1rg1 n ALA 306 Ca 0.01 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 1rg1 n ALA 306 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1rg1 n ALA 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rg1 s ASP 307 N -1.15 6.14 -1.53 0.00 1.01 -1.26 -2.24 116.67 117.64 1rg1 s ASP 307 Ca 0.73 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.75 1rg1 s ASP 307 Cb -0.44 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.85 1rg1 s ASP 307 CO 0.49 -0.98 0.00 0.61 0.21 0.00 0.00 175.17 175.50 1rg1 n GLY 308 N 0.63 1.37 3.87 0.21 0.00 -1.26 -4.95 105.19 105.06 1rg1 n GLY 308 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1rg1 n GLY 308 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rg1 s THR 309 N -2.20 4.90 -0.72 2.61 -1.32 -0.95 -5.05 115.64 112.91 1rg1 s THR 309 Ca 0.00 0.54 -0.01 0.00 -1.21 0.00 0.00 61.69 61.01 1rg1 s THR 309 Cb 0.00 -3.62 0.18 0.00 -1.51 0.00 0.00 72.50 67.55 1rg1 s THR 309 CO 0.00 -0.06 0.56 -1.00 -2.21 0.00 0.00 174.62 171.91 1rg1 s HIS 310 N -1.80 3.58 0.01 9.09 4.02 -1.26 -4.95 115.29 123.98 1rg1 s HIS 310 Ca 0.47 -2.92 0.02 0.00 1.02 0.00 0.00 55.06 53.65 1rg1 s HIS 310 Cb -0.11 -3.14 -0.01 0.00 -1.02 0.00 0.00 32.58 28.29 1rg1 s HIS 310 CO 0.21 -0.77 -0.06 0.15 1.02 0.00 0.00 174.74 175.29 1rg1 s LYS 311 N -0.69 0.46 0.21 1.40 1.02 -1.26 -5.03 119.74 115.85 1rg1 s LYS 311 Ca 0.22 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1rg1 s LYS 311 Cb -0.14 -0.37 0.16 0.00 -0.52 0.00 0.00 37.83 36.96 1rg1 s LYS 311 CO -0.08 0.09 1.52 0.66 -0.92 0.00 0.00 175.35 176.62 1rg1 h SER 312 N 5.46 0.44 -0.79 2.83 4.64 -1.97 -3.47 113.55 120.69 1rg1 h SER 312 Ca -0.31 -0.25 -0.23 0.00 -0.47 0.00 0.00 61.79 60.53 1rg1 h SER 312 Cb 1.20 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 63.09 1rg1 h SER 312 CO 0.47 0.94 -0.23 0.61 -0.87 0.00 0.00 176.83 177.75 1rg1 n GLY 313 N 0.31 0.91 3.90 -0.77 0.00 -1.26 -4.90 105.19 103.38 1rg1 n GLY 313 Ca -0.03 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1rg1 n GLY 313 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rg1 s GLU 314 N -3.35 3.65 0.35 1.61 2.56 -1.26 -0.83 118.70 121.43 1rg1 s GLU 314 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.97 55.02 1rg1 s GLU 314 Cb 0.00 -2.77 -0.01 0.00 2.00 0.00 0.00 34.13 33.35 1rg1 s GLU 314 CO 0.00 0.39 0.44 -1.54 -0.56 0.00 0.00 175.26 173.99 1rg1 s SER 315 N -2.62 5.77 0.66 -1.70 1.04 -1.26 -4.16 113.70 111.43 1rg1 s SER 315 Ca 0.43 -0.29 0.39 0.00 0.48 0.00 0.00 55.95 56.96 1rg1 s SER 315 Cb -0.12 -1.09 2.16 0.00 0.10 0.00 0.00 66.02 67.07 1rg1 s SER 315 CO 0.25 -0.46 2.24 1.55 0.98 0.00 0.00 173.24 177.80 1rg1 h PRO 316 N 0.94 0.00 -0.01 4.02 0.13 -1.82 -1.28 132.00 133.97 1rg1 h PRO 316 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1rg1 h PRO 316 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1rg1 h PRO 316 CO 0.53 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 178.39 1rg1 n THR 317 N -3.13 0.00 -1.90 1.56 -2.24 -1.26 -4.94 114.28 102.36 1rg1 n THR 317 Ca -0.02 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1rg1 n THR 317 Cb 0.16 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1rg1 n THR 317 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rg1 n HIS 318 N -0.32 -0.39 -0.33 4.78 8.25 -0.48 -4.76 115.22 121.97 1rg1 n HIS 318 Ca 0.15 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.65 1rg1 n HIS 318 Cb 0.36 -2.81 0.19 0.00 1.12 0.00 0.00 29.99 28.84 1rg1 n HIS 318 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1rg1 h PHE 319 N 0.00 1.01 0.47 4.41 3.57 -1.84 -0.74 116.94 123.82 1rg1 h PHE 319 Ca -0.32 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1rg1 h PHE 319 Cb 1.11 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1rg1 h PHE 319 CO 0.39 0.44 -0.23 -0.22 -2.23 0.00 0.00 178.31 176.46 1rg1 h LYS 320 N 0.93 -0.61 -0.85 1.11 3.64 -1.89 0.32 116.57 119.23 1rg1 h LYS 320 Ca 0.43 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1rg1 h LYS 320 Cb 0.36 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1rg1 h LYS 320 CO -0.23 -0.32 0.56 0.00 -2.27 0.00 0.00 179.45 177.18 1rg1 h ALA 321 N -0.38 1.46 -0.52 5.00 0.00 -1.93 -0.47 119.26 122.42 1rg1 h ALA 321 Ca -0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1rg1 h ALA 321 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1rg1 h ALA 321 CO 0.11 0.46 -0.07 -0.91 0.00 0.00 0.00 179.25 178.83 1rg1 h ASN 322 N 1.07 0.92 -0.31 0.00 -0.26 -0.84 -0.67 115.58 115.50 1rg1 h ASN 322 Ca 0.33 -0.28 -0.16 0.00 -0.56 0.00 0.00 56.30 55.64 1rg1 h ASN 322 Cb 0.01 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1rg1 h ASN 322 CO -0.10 1.02 -0.40 0.25 -1.06 0.00 0.00 177.43 177.14 1rg1 h LEU 323 N 0.84 0.92 -0.73 1.61 5.85 -0.00 -1.79 115.31 122.02 1rg1 h LEU 323 Ca 0.14 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1rg1 h LEU 323 Cb 0.60 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1rg1 h LEU 323 CO 0.04 1.20 0.24 0.40 -0.34 0.00 0.00 178.44 179.98 1rg1 h ILE 324 N 0.70 1.26 -0.67 4.05 2.04 -0.95 -1.32 117.51 122.61 1rg1 h ILE 324 Ca 0.05 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1rg1 h ILE 324 Cb 0.98 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1rg1 h ILE 324 CO 0.09 0.35 0.16 0.28 0.00 0.00 0.00 178.15 179.04 1rg1 h SER 325 N 1.07 1.02 0.01 1.72 0.02 -1.02 -0.18 113.55 116.19 1rg1 h SER 325 Ca 0.24 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1rg1 h SER 325 Cb 0.29 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rg1 h SER 325 CO -0.01 0.99 -0.07 0.22 -1.14 0.00 0.00 176.83 176.82 1rg1 h TYR 326 N 1.00 -0.18 -0.22 3.45 3.20 -1.00 -2.45 116.97 120.78 1rg1 h TYR 326 Ca 0.21 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1rg1 h TYR 326 Cb 0.37 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1rg1 h TYR 326 CO 0.03 -0.11 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.27 1rg1 h LEU 327 N -0.13 0.33 -1.29 2.82 3.38 -0.89 -2.80 115.31 116.72 1rg1 h LEU 327 Ca 0.03 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1rg1 h LEU 327 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1rg1 h LEU 327 CO -0.07 0.47 -0.20 0.74 0.09 0.00 0.00 178.44 179.47 1rg1 h THR 328 N 0.33 1.21 0.00 0.22 2.02 -0.69 -2.59 112.91 113.42 1rg1 h THR 328 Ca 0.07 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1rg1 h THR 328 Cb 0.38 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1rg1 h THR 328 CO 0.02 0.29 -0.01 0.00 0.37 0.00 0.00 175.52 176.19 1rg1 h ALA 329 N 1.59 1.23 -0.02 6.16 0.00 -1.16 -2.03 119.26 125.02 1rg1 h ALA 329 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1rg1 h ALA 329 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1rg1 h ALA 329 CO 0.03 0.01 -0.51 1.88 0.00 0.00 0.00 179.25 180.66 1rg1 h TYR 330 N 0.00 0.06 -5.86 0.00 -1.99 -1.59 -3.48 116.97 104.11 1rg1 h TYR 330 Ca -0.00 -0.02 -0.37 0.00 2.00 0.00 0.00 58.73 60.34 1rg1 h TYR 330 Cb 0.04 -0.01 0.11 0.00 2.00 0.00 0.00 36.73 38.88 1rg1 h TYR 330 CO 0.00 0.55 -0.80 -1.71 -0.00 0.00 0.00 178.16 176.20 1rg1 n ASN 331 N -3.93 -1.62 -3.97 3.88 5.15 -0.77 -4.70 115.26 109.30 1rg1 n ASN 331 Ca -0.02 -0.72 -0.22 0.00 -0.60 0.00 0.00 54.58 53.03 1rg1 n ASN 331 Cb 0.53 -4.61 -0.16 0.00 -0.53 0.00 0.00 39.78 35.01 1rg1 n ASN 331 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rg1 s ALA 332 N -3.51 0.95 0.17 5.20 0.00 -1.26 -5.05 121.76 118.25 1rg1 s ALA 332 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 1rg1 s ALA 332 Cb -0.00 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.78 1rg1 s ALA 332 CO 0.77 0.08 1.71 -1.00 0.00 0.00 0.00 175.76 177.33 1rg1 h PRO 333 N 6.88 0.16 0.00 0.00 0.13 -2.00 -0.66 132.00 136.51 1rg1 h PRO 333 Ca -0.34 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1rg1 h PRO 333 Cb 1.17 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1rg1 h PRO 333 CO 0.48 0.11 -0.08 0.66 -0.23 0.00 0.00 178.00 178.93 1rg1 h SER 334 N 0.17 0.00 0.79 1.44 4.64 -1.97 -1.90 113.55 116.71 1rg1 h SER 334 Ca 0.19 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 1rg1 h SER 334 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1rg1 h SER 334 CO -0.28 0.08 -0.99 -0.07 -0.87 0.00 0.00 176.83 174.70 1rg1 h LEU 335 N 0.00 0.16 -0.71 5.97 3.38 -1.53 -3.22 115.31 119.35 1rg1 h LEU 335 Ca -0.00 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1rg1 h LEU 335 Cb 0.16 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1rg1 h LEU 335 CO 0.01 1.05 0.32 0.50 0.09 0.00 0.00 178.44 180.41 1rg1 h LYS 336 N 0.04 0.51 -0.71 1.13 1.63 -0.65 0.81 116.57 119.33 1rg1 h LYS 336 Ca -0.04 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.82 1rg1 h LYS 336 Cb 1.69 -0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 33.13 1rg1 h LYS 336 CO 0.14 0.34 0.34 0.93 -3.45 0.00 0.00 179.45 177.75 1rg1 h GLU 337 N 0.52 0.56 -0.11 1.90 3.07 -1.55 0.67 114.58 119.66 1rg1 h GLU 337 Ca 0.37 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 1rg1 h GLU 337 Cb 0.46 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1rg1 h GLU 337 CO -0.32 0.37 -0.31 -1.49 -1.40 0.00 0.00 179.01 175.86 1rg1 h TRP 338 N 0.58 0.23 -0.50 4.33 4.06 -1.16 -1.43 115.95 122.05 1rg1 h TRP 338 Ca 0.36 -0.05 -0.05 0.00 2.06 0.00 0.00 58.89 61.21 1rg1 h TRP 338 Cb 0.40 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 1rg1 h TRP 338 CO -0.12 0.50 0.13 0.82 -3.56 0.00 0.00 178.44 176.21 1rg1 h ILE 339 N 0.18 1.24 -0.49 1.49 2.04 0.29 -0.53 117.51 121.73 1rg1 h ILE 339 Ca 0.02 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1rg1 h ILE 339 Cb 0.65 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1rg1 h ILE 339 CO 0.05 0.30 0.03 0.44 0.00 0.00 0.00 178.15 178.97 1rg1 h ASP 340 N 0.68 0.77 -0.51 1.72 3.45 -0.72 -0.79 116.42 121.02 1rg1 h ASP 340 Ca 0.16 -0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.46 1rg1 h ASP 340 Cb 0.32 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 1rg1 h ASP 340 CO -0.00 0.82 0.32 0.58 -1.57 0.00 0.00 179.24 179.38 1rg1 h VAL 341 N 0.76 1.08 -0.62 -1.35 2.07 -0.82 -2.94 116.25 114.42 1rg1 h VAL 341 Ca 0.15 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1rg1 h VAL 341 Cb 0.42 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1rg1 h VAL 341 CO 0.02 0.12 0.14 0.40 0.02 0.00 0.00 177.57 178.27 1rg1 h ILE 342 N 0.64 1.25 -0.92 4.57 2.04 -0.51 -2.64 117.51 121.95 1rg1 h ILE 342 Ca 0.20 -0.94 0.19 0.00 1.00 0.00 0.00 64.86 65.32 1rg1 h ILE 342 Cb -0.02 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1rg1 h ILE 342 CO -0.07 0.35 0.60 0.45 0.00 0.00 0.00 178.15 179.48 1rg1 h HIS 343 N 0.92 0.65 -0.00 1.37 3.86 -1.02 -1.46 115.15 119.47 1rg1 h HIS 343 Ca 0.19 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1rg1 h HIS 343 Cb 0.37 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1rg1 h HIS 343 CO 0.03 0.18 -0.10 1.63 0.86 0.00 0.00 177.93 180.53 1rg1 n LYS 344 N -4.55 0.69 -4.15 2.45 4.01 -1.00 -4.88 118.16 110.73 1rg1 n LYS 344 Ca 0.20 -0.22 -0.22 0.00 -0.51 0.00 0.00 58.31 57.56 1rg1 n LYS 344 Cb 0.65 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.62 1rg1 n LYS 344 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1rg1 s HIS 345 N -2.46 2.96 -0.38 2.13 4.02 -0.55 0.07 115.29 121.08 1rg1 s HIS 345 Ca 0.29 -0.17 -0.13 0.00 1.02 0.00 0.00 55.06 56.08 1rg1 s HIS 345 Cb 0.20 -1.37 0.01 0.00 -1.02 0.00 0.00 32.58 30.40 1rg1 s HIS 345 CO 0.47 0.52 0.26 0.34 1.02 0.00 0.00 174.74 177.35 1rg1 s ASP 346 N -3.80 5.98 -0.09 1.40 -1.08 0.66 -4.71 116.67 115.03 1rg1 s ASP 346 Ca 0.33 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 51.72 1rg1 s ASP 346 Cb -0.07 -2.12 0.46 0.00 -1.46 0.00 0.00 42.92 39.73 1rg1 s ASP 346 CO 0.23 -0.37 1.38 0.18 0.52 0.00 0.00 175.17 177.11 1rg1 n LEU 347 N 5.10 3.59 0.31 -1.34 4.32 -0.01 -3.90 117.00 125.07 1rg1 n LEU 347 Ca -0.12 -2.51 0.19 0.00 -0.02 0.00 0.00 56.01 53.55 1rg1 n LEU 347 Cb 0.48 -0.41 1.03 0.00 -1.62 0.00 0.00 43.42 42.90 1rg1 n LEU 347 CO 0.39 0.71 1.14 0.77 -1.22 0.00 0.00 177.39 179.18 1rg1 h SER 348 N 2.19 0.00 0.78 -1.43 4.64 -1.61 -1.67 113.55 116.44 1rg1 h SER 348 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rg1 h SER 348 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1rg1 h SER 348 CO 0.13 0.01 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1rg1 n GLU 349 N -3.46 0.22 -1.67 4.77 -0.58 -1.26 -4.20 120.64 114.45 1rg1 n GLU 349 Ca -0.03 -0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.26 1rg1 n GLU 349 Cb 0.10 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.43 1rg1 n GLU 349 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1rg1 n THR 350 N -1.39 0.17 -0.28 2.62 -1.04 -0.63 -4.89 114.28 108.83 1rg1 n THR 350 Ca 0.11 -0.04 0.04 0.00 -2.04 0.00 0.00 64.05 62.11 1rg1 n THR 350 Cb 0.29 -1.57 0.08 0.00 -1.82 0.00 0.00 70.33 67.32 1rg1 n THR 350 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1rg1 n ASN 351 N 3.23 2.47 -4.60 8.00 0.23 -1.26 -4.59 115.26 118.74 1rg1 n ASN 351 Ca 0.16 -2.24 -0.23 0.00 -0.53 0.00 0.00 54.58 51.74 1rg1 n ASN 351 Cb 0.30 -0.17 -0.08 0.00 -2.08 0.00 0.00 39.78 37.75 1rg1 n ASN 351 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1rg1 s VAL 352 N -1.42 3.14 -0.15 3.53 -7.23 -1.26 -4.71 120.40 112.30 1rg1 s VAL 352 Ca 0.15 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1rg1 s VAL 352 Cb 0.10 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1rg1 s VAL 352 CO 0.06 -0.37 0.12 -0.31 -0.31 0.00 0.00 175.10 174.28 1rg1 s TYR 353 N -2.39 3.46 0.04 2.82 1.51 -0.53 -4.69 117.35 117.58 1rg1 s TYR 353 Ca 0.31 0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 56.46 1rg1 s TYR 353 Cb -0.06 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 1rg1 s TYR 353 CO 0.19 0.50 1.09 -1.17 -1.11 0.00 0.00 175.55 175.04 1rg1 s LEU 354 N -0.37 4.38 -0.29 -1.29 2.96 -1.26 0.05 118.68 122.85 1rg1 s LEU 354 Ca 0.11 1.85 0.03 0.00 -0.22 0.00 0.00 54.13 55.90 1rg1 s LEU 354 Cb -0.12 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.07 1rg1 s LEU 354 CO 0.01 -0.35 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.03 1rg1 s ILE 355 N 0.95 2.09 0.12 6.68 1.01 -0.41 -4.92 121.20 126.71 1rg1 s ILE 355 Ca 0.55 -1.86 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1rg1 s ILE 355 Cb -0.25 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1rg1 s ILE 355 CO 0.29 -0.29 0.12 -0.83 0.00 0.00 0.00 174.94 174.24 1rg1 s GLY 356 N 1.07 1.88 0.05 6.18 0.00 -1.26 -1.44 107.32 113.79 1rg1 s GLY 356 Ca -0.00 -1.09 0.09 0.00 0.00 0.00 0.00 44.72 43.71 1rg1 s GLY 356 CO -0.07 -1.09 -0.24 -0.56 0.00 0.00 0.00 173.10 171.15 1rg1 s SER 357 N -2.76 3.40 -0.01 1.64 0.01 -0.15 -1.59 113.70 114.23 1rg1 s SER 357 Ca 0.31 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 1rg1 s SER 357 Cb -0.11 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.73 1rg1 s SER 357 CO 0.23 0.25 0.17 0.28 0.41 0.00 0.00 173.24 174.59 1rg1 s THR 358 N -0.86 0.06 0.19 1.44 -1.32 -1.13 -1.63 115.64 112.39 1rg1 s THR 358 Ca 0.13 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.78 1rg1 s THR 358 Cb -0.10 -0.43 -0.09 0.00 -1.51 0.00 0.00 72.50 70.38 1rg1 s THR 358 CO 0.03 -0.29 1.34 -2.84 -2.21 0.00 0.00 174.62 170.66 1rg1 s PRO 359 N -1.08 4.36 0.00 7.08 0.02 -1.20 -4.66 135.00 139.52 1rg1 s PRO 359 Ca -0.12 2.09 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1rg1 s PRO 359 Cb -0.06 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1rg1 s PRO 359 CO 0.02 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1rg1 n GLY 360 N 2.60 -1.61 3.05 0.52 0.00 -0.48 -4.97 105.19 104.30 1rg1 n GLY 360 Ca 0.07 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1rg1 n GLY 360 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rg1 s ARG 361 N -1.68 2.28 -0.20 1.61 0.52 -1.26 -1.09 118.95 119.13 1rg1 s ARG 361 Ca 0.00 -1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 54.15 1rg1 s ARG 361 Cb 0.00 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 1rg1 s ARG 361 CO 0.00 -0.44 -0.05 -0.06 0.02 0.00 0.00 175.30 174.77 1rg1 s PHE 362 N 1.27 2.95 0.26 -0.53 0.08 0.59 -4.91 117.98 117.69 1rg1 s PHE 362 Ca -0.03 -0.81 0.11 0.00 0.12 0.00 0.00 56.93 56.32 1rg1 s PHE 362 Cb -0.17 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 1rg1 s PHE 362 CO -0.08 -0.44 -0.20 -0.65 -0.10 0.00 0.00 175.22 173.75 1rg1 s GLN 363 N 1.21 1.62 6.50 0.44 -0.21 -1.26 -1.26 119.66 126.70 1rg1 s GLN 363 Ca 0.03 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.69 1rg1 s GLN 363 Cb -0.14 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.16 1rg1 s GLN 363 CO -0.01 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1rg1 n GLY 364 N -0.47 2.56 0.34 3.09 0.00 -1.26 -2.30 105.19 107.15 1rg1 n GLY 364 Ca -0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1rg1 n GLY 364 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rg1 h SER 365 N 4.87 1.02 -0.22 1.61 4.64 -1.99 -1.93 113.55 121.56 1rg1 h SER 365 Ca 0.00 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1rg1 h SER 365 Cb 0.00 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1rg1 h SER 365 CO 0.00 0.78 0.25 1.56 -0.87 0.00 0.00 176.83 178.55 1rg1 h GLN 366 N 1.18 0.00 -0.55 4.77 4.20 -1.83 -2.46 115.11 120.41 1rg1 h GLN 366 Ca 0.31 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.17 1rg1 h GLN 366 Cb -0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1rg1 h GLN 366 CO -0.06 0.00 0.39 -0.22 -0.67 0.00 0.00 178.83 178.27 1rg1 h LYS 367 N 0.00 0.06 -0.01 1.46 3.64 -1.29 -1.79 116.57 118.64 1rg1 h LYS 367 Ca 0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1rg1 h LYS 367 Cb 0.60 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1rg1 h LYS 367 CO -0.00 0.04 -0.16 -0.25 -2.27 0.00 0.00 179.45 176.81 1rg1 n ASP 368 N -4.40 0.76 0.14 4.20 8.00 -0.93 -4.22 116.55 120.10 1rg1 n ASP 368 Ca 0.10 -0.78 0.02 0.00 0.71 0.00 0.00 54.79 54.84 1rg1 n ASP 368 Cb 0.58 0.02 0.06 0.00 -0.02 0.00 0.00 41.12 41.75 1rg1 n ASP 368 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1rg1 h ASN 369 N 0.94 0.00 -5.30 -2.24 2.35 -1.50 -3.22 115.58 106.62 1rg1 h ASN 369 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1rg1 h ASN 369 Cb 0.42 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.64 1rg1 h ASN 369 CO 0.00 0.54 -0.66 0.26 -1.65 0.00 0.00 177.43 175.92 1rg1 s TRP 370 N -3.03 0.62 0.00 1.19 0.52 -1.26 -4.69 118.94 112.29 1rg1 s TRP 370 Ca 0.03 -1.11 0.00 0.00 0.02 0.00 0.00 56.10 55.04 1rg1 s TRP 370 Cb 0.08 -0.41 0.00 0.00 -1.15 0.00 0.00 33.47 32.00 1rg1 s TRP 370 CO 0.74 -0.43 0.00 0.41 0.02 0.00 0.00 176.95 177.69 1rg1 n GLY 371 N 0.04 0.93 0.26 0.98 0.00 -0.62 -2.04 105.19 104.73 1rg1 n GLY 371 Ca -0.11 -0.64 0.15 0.00 0.00 0.00 0.00 46.02 45.42 1rg1 n GLY 371 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1rg1 h HIS 372 N 0.00 0.00 -0.02 1.61 2.07 -1.45 -2.21 115.15 115.16 1rg1 h HIS 372 Ca 0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 1rg1 h HIS 372 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1rg1 h HIS 372 CO 0.00 0.07 -0.72 0.74 -3.07 0.00 0.00 177.93 174.94 1rg1 h PHE 373 N 0.00 0.16 -0.32 6.12 -1.00 -1.81 -0.48 116.94 119.61 1rg1 h PHE 373 Ca -0.00 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1rg1 h PHE 373 Cb 0.58 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1rg1 h PHE 373 CO 0.00 0.80 0.20 -0.09 -1.61 0.00 0.00 178.31 177.61 1rg1 h ARG 374 N 0.08 0.42 -0.18 1.51 9.65 -0.80 -1.45 114.38 123.61 1rg1 h ARG 374 Ca -0.02 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1rg1 h ARG 374 Cb 1.28 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1rg1 h ARG 374 CO 0.10 0.29 0.10 1.25 2.80 0.00 0.00 179.97 184.51 1rg1 h LEU 375 N 0.42 0.16 -0.40 3.80 5.85 -1.32 -2.12 115.31 121.71 1rg1 h LEU 375 Ca 0.12 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1rg1 h LEU 375 Cb -0.03 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 1rg1 h LEU 375 CO -0.02 0.12 -0.20 0.50 -0.34 0.00 0.00 178.44 178.50 1rg1 h LYS 376 N 0.21 -0.13 -0.34 1.25 3.64 -0.93 -0.32 116.57 119.95 1rg1 h LYS 376 Ca 0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1rg1 h LYS 376 Cb 0.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1rg1 h LYS 376 CO -0.04 -0.08 0.15 -0.22 -2.27 0.00 0.00 179.45 176.99 1rg1 h LYS 377 N -0.13 0.31 -0.37 1.90 1.63 -1.06 0.45 116.57 119.30 1rg1 h LYS 377 Ca 0.19 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1rg1 h LYS 377 Cb 0.43 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1rg1 h LYS 377 CO -0.48 0.21 0.23 -0.07 -3.45 0.00 0.00 179.45 175.89 1rg1 h LEU 378 N 0.32 0.40 -0.48 5.20 3.38 -1.03 -0.56 115.31 122.54 1rg1 h LEU 378 Ca 0.15 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1rg1 h LEU 378 Cb 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1rg1 h LEU 378 CO -0.12 0.29 -0.07 -0.07 0.09 0.00 0.00 178.44 178.55 1rg1 h LEU 379 N 0.48 0.90 -0.74 1.67 3.38 -0.49 0.22 115.31 120.73 1rg1 h LEU 379 Ca 0.14 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.85 1rg1 h LEU 379 Cb -0.03 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 1rg1 h LEU 379 CO -0.05 1.03 0.39 0.50 0.09 0.00 0.00 178.44 180.41 1rg1 h LYS 380 N 0.75 0.65 0.06 1.13 3.64 0.06 -1.80 116.57 121.06 1rg1 h LYS 380 Ca 0.13 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.16 1rg1 h LYS 380 Cb 0.61 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1rg1 h LYS 380 CO 0.04 0.43 -1.68 -0.44 -2.27 0.00 0.00 179.45 175.53 1rg1 h ASP 381 N 0.67 0.19 0.00 4.20 3.32 -0.60 -3.30 116.42 120.90 1rg1 h ASP 381 Ca 0.36 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1rg1 h ASP 381 Cb 0.34 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1rg1 h ASP 381 CO -0.25 1.30 0.00 1.41 -1.72 0.00 0.00 179.24 179.98 1rg1 n HIS 382 N -3.26 0.00 -4.11 4.55 8.25 0.74 -5.01 115.22 116.38 1rg1 n HIS 382 Ca -0.19 -0.18 -0.24 0.00 -0.26 0.00 0.00 57.72 56.86 1rg1 n HIS 382 Cb 1.04 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 32.08 1rg1 n HIS 382 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rg1 s ALA 383 N -0.35 3.55 -0.05 -1.41 0.00 -0.92 -4.44 121.76 118.13 1rg1 s ALA 383 Ca 0.00 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1rg1 s ALA 383 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1rg1 s ALA 383 CO 0.00 0.36 -0.19 -1.54 0.00 0.00 0.00 175.76 174.38 1rg1 s SER 384 N -3.52 3.58 0.77 0.00 1.04 -1.26 -2.76 113.70 111.55 1rg1 s SER 384 Ca 0.32 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 1rg1 s SER 384 Cb -0.09 -0.79 0.05 0.00 0.10 0.00 0.00 66.02 65.30 1rg1 s SER 384 CO 0.24 0.30 1.12 -0.94 0.98 0.00 0.00 173.24 174.94 1rg1 s SER 385 N -0.48 4.83 0.13 7.02 1.04 -1.21 -4.66 113.70 120.37 1rg1 s SER 385 Ca 0.06 1.06 -0.06 0.00 0.48 0.00 0.00 55.95 57.49 1rg1 s SER 385 Cb -0.12 -1.75 -0.02 0.00 0.10 0.00 0.00 66.02 64.24 1rg1 s SER 385 CO 0.01 -1.73 0.17 0.00 0.98 0.00 0.00 173.24 172.67 1rg1 s MET 386 N -5.37 0.98 0.47 4.02 0.23 -1.26 -5.02 119.30 113.35 1rg1 s MET 386 Ca 0.60 -1.23 -0.24 0.00 -1.03 0.00 0.00 55.69 53.79 1rg1 s MET 386 Cb -0.12 0.31 -0.08 0.00 -1.53 0.00 0.00 34.83 33.41 1rg1 s MET 386 CO 0.52 -0.32 1.39 -2.30 -2.03 0.00 0.00 175.02 172.28 1rg1 n PRO 387 N -0.12 2.07 -1.74 3.16 -0.02 -1.26 -2.50 135.00 134.58 1rg1 n PRO 387 Ca -0.09 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1rg1 n PRO 387 Cb 0.63 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1rg1 n PRO 387 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rg1 n ASN 388 N -0.31 -4.47 -0.30 2.55 4.13 -1.26 -4.89 115.26 110.71 1rg1 n ASN 388 Ca 0.07 0.20 0.17 0.00 1.68 0.00 0.00 54.58 56.69 1rg1 n ASN 388 Cb 0.42 -3.36 0.43 0.00 -1.54 0.00 0.00 39.78 35.73 1rg1 n ASN 388 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rg1 h ALA 389 N 0.26 1.99 -0.09 5.41 0.00 -1.89 0.48 119.26 125.42 1rg1 h ALA 389 Ca -0.30 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rg1 h ALA 389 Cb 1.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rg1 h ALA 389 CO 0.40 -0.32 0.26 0.93 0.00 0.00 0.00 179.25 180.52 1rg1 h GLU 390 N 0.56 0.00 -0.16 0.00 3.07 -1.90 0.25 114.58 116.40 1rg1 h GLU 390 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1rg1 h GLU 390 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1rg1 h GLU 390 CO -0.27 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.21 1rg1 n SER 391 N -3.21 2.79 -4.64 1.42 3.41 0.16 -3.73 113.62 109.81 1rg1 n SER 391 Ca -0.00 -1.83 -0.43 0.00 -0.26 0.00 0.00 58.87 56.35 1rg1 n SER 391 Cb 0.34 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1rg1 n SER 391 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1rg1 s TRP 392 N -1.40 3.17 0.93 7.33 0.52 0.07 -4.05 118.94 125.52 1rg1 s TRP 392 Ca 0.26 1.21 -0.11 0.00 0.02 0.00 0.00 56.10 57.48 1rg1 s TRP 392 Cb 0.17 -3.62 0.15 0.00 -1.15 0.00 0.00 33.47 29.01 1rg1 s TRP 392 CO 0.24 -0.73 1.10 -2.14 0.02 0.00 0.00 176.95 175.44 1rg1 s PRO 393 N 3.57 0.92 -0.07 4.98 0.02 -1.16 -4.69 135.00 138.58 1rg1 s PRO 393 Ca 0.45 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1rg1 s PRO 393 Cb -0.13 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1rg1 s PRO 393 CO 0.14 -2.57 -0.06 0.08 -0.33 0.00 0.00 177.00 174.26 1rg1 s VAL 394 N -2.74 3.76 -0.08 3.83 1.01 -0.34 -3.28 120.40 122.57 1rg1 s VAL 394 Ca 0.65 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1rg1 s VAL 394 Cb -0.21 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1rg1 s VAL 394 CO 0.59 0.60 -0.18 -0.69 0.00 0.00 0.00 175.10 175.41 1rg1 s VAL 395 N -0.76 1.60 0.04 2.92 1.01 -0.36 -1.10 120.40 123.74 1rg1 s VAL 395 Ca 0.12 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1rg1 s VAL 395 Cb -0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1rg1 s VAL 395 CO 0.02 0.46 -0.23 -0.83 0.00 0.00 0.00 175.10 174.51 1rg1 s GLY 396 N 0.53 1.25 -0.12 4.51 0.00 -0.34 -1.11 107.32 112.05 1rg1 s GLY 396 Ca -0.16 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.34 1rg1 s GLY 396 CO 0.06 -1.06 0.27 1.62 0.00 0.00 0.00 173.10 173.98 1rg1 s GLN 397 N -1.20 0.21 0.37 2.90 -0.44 0.58 -1.05 119.66 121.03 1rg1 s GLN 397 Ca 0.10 0.60 -0.16 0.00 -2.50 0.00 0.00 55.36 53.40 1rg1 s GLN 397 Cb -0.09 -0.09 0.06 0.00 -1.64 0.00 0.00 33.01 31.25 1rg1 s GLN 397 CO 0.02 -0.19 0.83 -0.59 0.50 0.00 0.00 175.29 175.86 1rg1 s PHE 398 N 1.52 0.14 0.00 1.67 -0.71 -1.13 -0.95 117.98 118.53 1rg1 s PHE 398 Ca -0.07 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.01 1rg1 s PHE 398 Cb -0.11 0.84 0.00 0.00 -1.21 0.00 0.00 43.02 42.54 1rg1 s PHE 398 CO -0.09 -1.53 0.22 -1.13 -1.34 0.00 0.00 175.22 171.35 1rg1 n SER 399 N -1.49 0.27 -3.93 1.98 3.41 -1.26 -4.63 113.62 107.97 1rg1 n SER 399 Ca -0.08 -1.05 -0.11 0.00 -0.26 0.00 0.00 58.87 57.37 1rg1 n SER 399 Cb 0.60 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1rg1 n SER 399 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rg1 s SER 400 N -0.05 0.13 -0.14 4.04 0.15 -1.26 -3.91 113.70 112.67 1rg1 s SER 400 Ca 0.00 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.42 1rg1 s SER 400 Cb 0.00 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1rg1 s SER 400 CO 0.00 -0.14 -0.19 -0.69 1.20 0.00 0.00 173.24 173.42 1rg1 s VAL 401 N -0.71 1.84 0.80 4.45 1.01 -1.26 -2.35 120.40 124.17 1rg1 s VAL 401 Ca -0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1rg1 s VAL 401 Cb -0.05 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.80 1rg1 s VAL 401 CO -0.00 0.51 1.13 -0.83 0.00 0.00 0.00 175.10 175.90 1rg1 s GLY 402 N 1.00 1.72 -0.15 4.51 0.00 -0.17 -4.86 107.32 109.37 1rg1 s GLY 402 Ca -0.04 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 1rg1 s GLY 402 CO -0.04 -0.59 0.87 -1.35 0.00 0.00 0.00 173.10 171.99 1rg1 s SER 403 N -4.69 7.02 0.00 1.64 1.04 -1.26 -4.90 113.70 112.54 1rg1 s SER 403 Ca 0.66 1.25 0.15 0.00 0.48 0.00 0.00 55.95 58.49 1rg1 s SER 403 Cb -0.07 -2.48 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 1rg1 s SER 403 CO 0.48 -0.41 0.69 0.18 0.98 0.00 0.00 173.24 175.16 1rg1 n LEU 404 N 5.17 0.97 0.00 2.42 4.77 -1.26 -4.72 117.00 124.34 1rg1 n LEU 404 Ca 0.05 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1rg1 n LEU 404 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1rg1 n LEU 404 CO 0.49 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1rg1 n GLY 405 N 1.28 2.20 0.16 -0.72 0.00 -1.26 -4.10 105.19 102.74 1rg1 n GLY 405 Ca 0.04 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 44.01 1rg1 n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg1 h ALA 406 N 0.00 1.00 -2.98 4.61 0.00 -1.98 -3.45 119.26 116.46 1rg1 h ALA 406 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1rg1 h ALA 406 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rg1 h ALA 406 CO 0.00 0.00 0.18 0.16 0.00 0.00 0.00 179.25 179.59 1rg1 s ASP 407 N -4.53 0.03 0.21 0.00 -4.77 -1.26 -4.95 116.67 101.40 1rg1 s ASP 407 Ca 0.04 -1.02 0.18 0.00 -3.30 0.00 0.00 52.55 48.45 1rg1 s ASP 407 Cb 0.09 0.78 0.87 0.00 -1.09 0.00 0.00 42.92 43.56 1rg1 s ASP 407 CO 0.42 -1.51 1.56 -1.84 0.70 0.00 0.00 175.17 174.50 1rg1 n GLU 408 N -0.50 0.12 0.05 2.11 0.28 -1.26 -2.59 120.64 118.85 1rg1 n GLU 408 Ca -0.06 0.49 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 1rg1 n GLU 408 Cb 0.60 -1.80 0.20 0.00 1.43 0.00 0.00 31.44 31.87 1rg1 n GLU 408 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1rg1 n SER 409 N -2.05 0.64 -0.05 -1.84 3.41 -1.26 -0.18 113.62 112.30 1rg1 n SER 409 Ca 0.01 0.07 -0.08 0.00 -0.26 0.00 0.00 58.87 58.61 1rg1 n SER 409 Cb 0.12 0.15 0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1rg1 n SER 409 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1rg1 h LYS 410 N 0.00 0.70 0.00 4.33 1.79 -1.79 -3.40 116.57 118.20 1rg1 h LYS 410 Ca 0.00 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1rg1 h LYS 410 Cb 0.70 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1rg1 h LYS 410 CO 0.00 0.92 0.00 1.87 -1.08 0.00 0.00 179.45 181.16 1rg1 n TRP 411 N -4.07 -2.19 0.35 -1.35 -0.00 -1.26 -4.81 117.44 104.11 1rg1 n TRP 411 Ca -0.01 0.15 -0.18 0.00 -0.00 0.00 0.00 57.50 57.46 1rg1 n TRP 411 Cb 0.48 0.80 -0.09 0.00 -0.00 0.00 0.00 31.31 32.51 1rg1 n TRP 411 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1rg1 h LEU 412 N 0.00 -0.92 -1.41 5.87 5.85 -1.79 -1.50 115.31 121.41 1rg1 h LEU 412 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1rg1 h LEU 412 Cb 0.00 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1rg1 h LEU 412 CO 0.00 -0.58 0.00 0.00 -0.34 0.00 0.00 178.44 177.52 1rg1 n SER 414 N 0.68 0.00 -0.06 0.00 3.41 -1.15 -4.61 113.62 111.88 1rg1 n SER 414 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.67 1rg1 n SER 414 Cb 0.45 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1rg1 n SER 414 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1rg1 h GLU 415 N 0.00 0.32 0.74 4.33 4.11 -1.74 -1.29 114.58 121.05 1rg1 h GLU 415 Ca 0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1rg1 h GLU 415 Cb 0.00 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1rg1 h GLU 415 CO 0.00 0.39 -0.36 0.35 0.07 0.00 0.00 179.01 179.46 1rg1 h PHE 416 N 0.18 -0.94 -0.22 2.06 3.57 -1.41 -1.22 116.94 118.96 1rg1 h PHE 416 Ca 0.07 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1rg1 h PHE 416 Cb 0.20 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1rg1 h PHE 416 CO -0.01 -0.58 0.15 -0.22 -2.23 0.00 0.00 178.31 175.42 1rg1 h LYS 417 N -1.00 0.24 -0.86 1.11 3.64 -1.28 -1.43 116.57 116.99 1rg1 h LYS 417 Ca -0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1rg1 h LYS 417 Cb 0.77 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1rg1 h LYS 417 CO 0.16 0.16 0.45 0.93 -2.27 0.00 0.00 179.45 178.89 1rg1 h GLU 418 N 0.25 1.20 -0.26 1.90 4.39 -1.06 0.20 114.58 121.20 1rg1 h GLU 418 Ca 0.09 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1rg1 h GLU 418 Cb 0.04 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1rg1 h GLU 418 CO -0.02 0.89 -0.03 0.77 -1.16 0.00 0.00 179.01 179.47 1rg1 h SER 419 N 1.20 0.46 1.33 1.42 0.02 -0.29 -3.22 113.55 114.48 1rg1 h SER 419 Ca 0.30 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1rg1 h SER 419 Cb 0.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1rg1 h SER 419 CO -0.05 0.69 -0.06 0.24 -1.14 0.00 0.00 176.83 176.51 1rg1 h MET 420 N 0.23 0.00 -0.01 3.45 2.86 -0.80 -2.95 114.93 117.71 1rg1 h MET 420 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1rg1 h MET 420 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1rg1 h MET 420 CO 0.02 0.06 -0.11 1.47 1.06 0.00 0.00 176.91 179.41 1rg1 n LEU 421 N -3.15 1.52 -4.73 1.22 -0.00 0.65 -4.90 117.00 107.62 1rg1 n LEU 421 Ca 0.02 -0.49 -0.42 0.00 -0.00 0.00 0.00 56.01 55.12 1rg1 n LEU 421 Cb 0.41 -0.04 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 1rg1 n LEU 421 CO 0.31 0.26 1.32 -0.89 -0.00 0.00 0.00 177.39 178.39 1rg1 s THR 422 N -2.19 2.11 -0.26 1.47 2.01 -1.11 -4.99 115.64 112.66 1rg1 s THR 422 Ca 0.31 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 1rg1 s THR 422 Cb 0.20 -3.05 0.13 0.00 0.01 0.00 0.00 72.50 69.79 1rg1 s THR 422 CO 0.41 0.01 0.31 -0.76 -0.69 0.00 0.00 174.62 173.89 1rg1 s LEU 423 N 0.70 -0.34 0.00 4.42 1.43 -1.26 -4.65 118.68 118.97 1rg1 s LEU 423 Ca 0.71 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1rg1 s LEU 423 Cb -0.48 0.66 0.00 0.00 0.03 0.00 0.00 46.19 46.39 1rg1 s LEU 423 CO 0.36 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1rg1 n GLY 424 N 5.33 1.16 0.00 -3.19 0.00 -0.72 -3.32 105.19 104.44 1rg1 n GLY 424 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rg1 n GLY 424 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rg1 n VAL 435 N 0.00 0.00 -2.03 1.61 0.31 -1.24 -4.53 118.33 112.44 1rg1 n VAL 435 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1rg1 n VAL 435 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1rg1 n VAL 435 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1rg1 s PRO 436 N -1.74 4.28 -0.22 5.55 0.02 -1.26 -4.86 135.00 136.76 1rg1 s PRO 436 Ca 0.00 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1rg1 s PRO 436 Cb 0.00 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.45 1rg1 s PRO 436 CO 0.00 -0.36 -0.11 -1.17 -0.33 0.00 0.00 177.00 175.03 1rg1 s LEU 437 N -0.85 2.76 -0.24 -5.54 2.96 -1.26 -1.19 118.68 115.31 1rg1 s LEU 437 Ca 0.56 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1rg1 s LEU 437 Cb -0.42 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1rg1 s LEU 437 CO 0.47 -0.06 0.09 -0.31 -1.32 0.00 0.00 176.35 175.21 1rg1 s TYR 438 N 1.33 3.13 -0.15 5.38 1.51 -0.26 -4.92 117.35 123.37 1rg1 s TYR 438 Ca 0.03 -0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1rg1 s TYR 438 Cb -0.15 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.45 1rg1 s TYR 438 CO -0.07 -0.25 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.51 1rg1 s LEU 439 N 1.43 2.82 -0.24 -1.29 1.43 -0.97 -1.20 118.68 120.67 1rg1 s LEU 439 Ca 0.06 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1rg1 s LEU 439 Cb -0.15 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1rg1 s LEU 439 CO 0.04 0.13 0.09 -0.63 0.23 0.00 0.00 176.35 176.21 1rg1 s ILE 440 N 0.56 4.58 -0.23 -0.59 1.01 -0.22 0.59 121.20 126.90 1rg1 s ILE 440 Ca -0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1rg1 s ILE 440 Cb -0.15 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.26 1rg1 s ILE 440 CO 0.03 0.36 0.57 -0.47 0.00 0.00 0.00 174.94 175.43 1rg1 s TYR 441 N 1.30 -0.83 0.13 3.97 6.14 -0.74 -2.83 117.35 124.50 1rg1 s TYR 441 Ca 0.05 1.73 -0.33 0.00 0.64 0.00 0.00 57.07 59.16 1rg1 s TYR 441 Cb -0.15 0.43 -0.13 0.00 0.42 0.00 0.00 41.96 42.54 1rg1 s TYR 441 CO 0.04 -0.42 1.66 -2.30 0.64 0.00 0.00 175.55 175.16 1rg1 n PRO 442 N 4.04 2.29 -1.50 4.97 -0.02 -1.26 -4.40 135.00 139.10 1rg1 n PRO 442 Ca -0.20 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 1rg1 n PRO 442 Cb 0.57 -2.63 0.12 0.00 -0.02 0.00 0.00 33.50 31.54 1rg1 n PRO 442 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rg1 s SER 443 N 1.48 3.90 0.27 2.55 1.04 -1.26 -1.39 113.70 120.28 1rg1 s SER 443 Ca 0.80 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.38 1rg1 s SER 443 Cb -0.64 -1.82 0.50 0.00 0.10 0.00 0.00 66.02 64.16 1rg1 s SER 443 CO 0.39 -2.33 1.82 0.58 0.98 0.00 0.00 173.24 174.68 1rg1 h VAL 444 N -1.34 0.89 -0.10 5.02 2.07 -0.73 -2.40 116.25 119.66 1rg1 h VAL 444 Ca -0.49 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 1rg1 h VAL 444 Cb 1.30 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1rg1 h VAL 444 CO 0.60 0.16 -0.45 -0.08 0.02 0.00 0.00 177.57 177.83 1rg1 h GLU 445 N 0.88 0.23 -0.34 1.57 4.57 -1.93 -0.28 114.58 119.28 1rg1 h GLU 445 Ca 0.46 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.57 1rg1 h GLU 445 Cb 0.47 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 1rg1 h GLU 445 CO -0.27 0.64 0.08 -0.91 -1.18 0.00 0.00 179.01 177.37 1rg1 h ASN 446 N 0.19 0.04 -0.07 1.04 -0.26 -1.80 -1.76 115.58 112.96 1rg1 h ASN 446 Ca 0.01 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1rg1 h ASN 446 Cb 0.87 0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 38.19 1rg1 h ASN 446 CO 0.07 0.06 -0.05 0.58 -1.06 0.00 0.00 177.43 177.03 1rg1 h VAL 447 N 0.20 1.35 -0.88 2.81 2.07 -1.12 -2.78 116.25 117.91 1rg1 h VAL 447 Ca 0.16 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1rg1 h VAL 447 Cb 0.17 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 1rg1 h VAL 447 CO -0.20 0.32 0.54 -0.09 0.02 0.00 0.00 177.57 178.16 1rg1 h ARG 448 N -0.26 0.94 -0.51 1.57 2.43 -1.00 -2.17 114.38 115.37 1rg1 h ARG 448 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1rg1 h ARG 448 Cb 0.53 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1rg1 h ARG 448 CO 0.01 0.62 0.00 0.25 -1.51 0.00 0.00 179.97 179.34 1rg1 n THR 449 N -4.63 0.76 -2.02 0.20 -2.24 -0.67 -2.55 114.28 103.13 1rg1 n THR 449 Ca 0.13 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.96 1rg1 n THR 449 Cb 0.21 0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 1rg1 n THR 449 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rg1 s SER 450 N -0.95 4.86 0.36 3.42 1.04 -0.82 -4.87 113.70 116.75 1rg1 s SER 450 Ca 0.32 0.75 0.12 0.00 0.48 0.00 0.00 55.95 57.63 1rg1 s SER 450 Cb 0.18 -1.39 0.93 0.00 0.10 0.00 0.00 66.02 65.84 1rg1 s SER 450 CO 0.21 -1.64 1.80 -0.07 0.98 0.00 0.00 173.24 174.52 1rg1 h LEU 451 N -0.78 0.59 0.00 2.42 3.38 -1.34 -0.90 115.31 118.68 1rg1 h LEU 451 Ca -0.45 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rg1 h LEU 451 Cb 1.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1rg1 h LEU 451 CO 0.64 0.20 -1.26 -0.62 0.09 0.00 0.00 178.44 177.49 1rg1 n GLU 452 N -4.65 0.52 0.00 1.13 1.02 -1.26 -4.93 120.64 112.48 1rg1 n GLU 452 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1rg1 n GLU 452 Cb 0.67 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1rg1 n GLU 452 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rg1 n GLY 453 N 1.26 0.66 0.39 0.62 0.00 -0.34 -3.97 105.19 103.80 1rg1 n GLY 453 Ca -0.00 -0.74 0.17 0.00 0.00 0.00 0.00 46.02 45.45 1rg1 n GLY 453 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rg1 h TYR 454 N 0.00 0.48 -0.13 1.61 0.05 -1.81 0.66 116.97 117.84 1rg1 h TYR 454 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1rg1 h TYR 454 Cb 0.00 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1rg1 h TYR 454 CO 0.00 0.16 0.17 -1.35 -1.05 0.00 0.00 178.16 176.09 1rg1 h PRO 455 N 0.39 0.00 -0.33 4.88 0.11 -1.92 0.32 132.00 135.46 1rg1 h PRO 455 Ca 0.41 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.61 1rg1 h PRO 455 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1rg1 h PRO 455 CO -0.13 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 177.94 1rg1 h ALA 456 N 1.79 2.12 0.00 -0.75 0.00 -1.07 0.62 119.26 121.98 1rg1 h ALA 456 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rg1 h ALA 456 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rg1 h ALA 456 CO -0.00 -0.45 0.00 0.78 0.00 0.00 0.00 179.25 179.58 1rg1 h GLY 457 N 0.00 0.00 2.00 0.00 0.00 -0.52 -2.33 103.07 102.23 1rg1 h GLY 457 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1rg1 h GLY 457 CO -0.00 0.00 -0.00 -1.33 0.00 0.00 0.00 176.54 175.20 1rg1 h GLY 458 N 0.55 0.00 -1.89 4.60 0.00 -1.03 -2.31 103.07 103.00 1rg1 h GLY 458 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rg1 h GLY 458 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1rg1 n SER 459 N -3.10 3.88 -3.35 0.19 7.64 -0.87 -4.53 113.62 113.47 1rg1 n SER 459 Ca -0.01 -2.61 -0.26 0.00 1.01 0.00 0.00 58.87 57.00 1rg1 n SER 459 Cb 0.21 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 1rg1 n SER 459 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rg1 n LEU 460 N 0.16 2.21 -1.84 -3.43 4.77 -0.87 -4.86 117.00 113.15 1rg1 n LEU 460 Ca 0.20 -5.11 -0.09 0.00 -0.03 0.00 0.00 56.01 50.97 1rg1 n LEU 460 Cb 0.77 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1rg1 n LEU 460 CO 0.16 2.04 1.32 -0.81 -1.33 0.00 0.00 177.39 178.77 1rg1 n PRO 461 N 1.17 1.61 -2.50 3.23 -0.04 -1.25 -4.37 135.00 132.85 1rg1 n PRO 461 Ca 0.26 -0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 62.49 1rg1 n PRO 461 Cb 0.46 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 1rg1 n PRO 461 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1rg1 s TYR 462 N -0.03 3.04 0.15 0.54 5.04 -1.26 -4.84 117.35 120.00 1rg1 s TYR 462 Ca 0.35 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1rg1 s TYR 462 Cb 0.19 -3.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.04 1rg1 s TYR 462 CO -0.02 -1.26 0.32 -1.54 -1.34 0.00 0.00 175.55 171.70 1rg1 s SER 463 N 1.68 6.37 0.25 4.32 1.04 -1.26 -0.45 113.70 125.64 1rg1 s SER 463 Ca 0.51 0.30 -0.06 0.00 0.48 0.00 0.00 55.95 57.18 1rg1 s SER 463 Cb -0.20 -1.97 0.26 0.00 0.10 0.00 0.00 66.02 64.21 1rg1 s SER 463 CO 0.13 0.04 1.93 -0.29 0.98 0.00 0.00 173.24 176.02 1rg1 h ILE 464 N 1.70 1.26 -0.52 -1.02 6.09 -1.92 0.67 117.51 123.76 1rg1 h ILE 464 Ca -0.48 -0.47 0.10 0.00 -1.37 0.00 0.00 64.86 62.65 1rg1 h ILE 464 Cb 1.19 -0.22 -0.09 0.00 0.47 0.00 0.00 36.82 38.16 1rg1 h ILE 464 CO 0.70 0.25 -0.06 1.56 -3.07 0.00 0.00 178.15 177.52 1rg1 h GLN 465 N 1.36 0.05 -0.13 2.19 7.50 -1.98 0.19 115.11 124.29 1rg1 h GLN 465 Ca 0.37 -0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.44 1rg1 h GLN 465 Cb -0.16 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.36 1rg1 h GLN 465 CO -0.08 0.04 -0.22 1.15 -1.50 0.00 0.00 178.83 178.21 1rg1 h THR 466 N 0.05 1.37 -0.91 -0.54 2.02 -1.89 -3.32 112.91 109.69 1rg1 h THR 466 Ca 0.26 -1.48 0.04 0.00 0.77 0.00 0.00 66.41 66.00 1rg1 h THR 466 Cb 0.40 2.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1rg1 h THR 466 CO -0.49 0.43 0.59 0.00 0.37 0.00 0.00 175.52 176.42 1rg1 h ALA 467 N 0.55 1.22 0.00 6.16 0.00 0.10 -2.20 119.26 125.08 1rg1 h ALA 467 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rg1 h ALA 467 Cb 0.80 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rg1 h ALA 467 CO 0.05 0.43 0.00 1.05 0.00 0.00 0.00 179.25 180.78 1rg1 h GLU 468 N 1.12 0.00 0.00 0.00 4.11 -0.78 -2.29 114.58 116.74 1rg1 h GLU 468 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1rg1 h GLU 468 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1rg1 h GLU 468 CO -0.13 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.58 1rg1 n LYS 469 N -2.77 0.31 -2.69 1.06 5.02 -0.83 -4.34 118.16 113.92 1rg1 n LYS 469 Ca 0.02 0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.26 1rg1 n LYS 469 Cb 0.31 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.92 1rg1 n LYS 469 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rg1 n GLN 470 N -1.33 1.23 -0.28 1.97 10.64 -0.87 -4.65 117.38 124.10 1rg1 n GLN 470 Ca 0.12 -2.16 0.25 0.00 -1.83 0.00 0.00 57.00 53.38 1rg1 n GLN 470 Cb 0.25 -0.34 0.59 0.00 -0.86 0.00 0.00 30.24 29.88 1rg1 n GLN 470 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1rg1 h ASN 471 N 2.14 0.27 -0.86 2.61 -0.26 -1.74 -0.97 115.58 116.78 1rg1 h ASN 471 Ca -0.25 0.04 0.21 0.00 -0.56 0.00 0.00 56.30 55.74 1rg1 h ASN 471 Cb 1.27 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.47 1rg1 h ASN 471 CO 0.06 0.07 0.58 4.11 -1.06 0.00 0.00 177.43 181.20 1rg1 h TRP 472 N 0.25 0.36 0.00 1.19 5.08 -1.91 -1.74 115.95 119.19 1rg1 h TRP 472 Ca 0.53 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 60.45 1rg1 h TRP 472 Cb 1.60 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.64 1rg1 h TRP 472 CO -0.00 0.10 -0.26 1.25 -1.28 0.00 0.00 178.44 178.25 1rg1 h LEU 473 N 0.28 0.00 -0.57 0.11 5.85 -1.57 -3.13 115.31 116.28 1rg1 h LEU 473 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1rg1 h LEU 473 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1rg1 h LEU 473 CO -0.12 0.26 0.00 1.41 -0.34 0.00 0.00 178.44 179.65 1rg1 n HIS 474 N -4.09 0.80 1.12 1.25 8.25 -0.65 -1.46 115.22 120.44 1rg1 n HIS 474 Ca -0.02 0.30 0.13 0.00 -0.26 0.00 0.00 57.72 57.87 1rg1 n HIS 474 Cb 0.32 -0.99 0.62 0.00 1.12 0.00 0.00 29.99 31.07 1rg1 n HIS 474 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rg1 n SER 475 N -2.22 0.00 0.00 0.41 3.41 -1.18 -2.21 113.62 111.83 1rg1 n SER 475 Ca 0.03 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1rg1 n SER 475 Cb 0.26 -0.35 0.21 0.00 -0.26 0.00 0.00 64.21 64.07 1rg1 n SER 475 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rg1 n TYR 476 N -1.35 0.00 -2.70 7.33 4.01 -0.53 -4.98 117.16 118.94 1rg1 n TYR 476 Ca 0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 1rg1 n TYR 476 Cb 0.23 -0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 38.99 1rg1 n TYR 476 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1rg1 s PHE 477 N -3.00 3.82 0.11 -0.72 2.99 -0.94 -2.30 117.98 117.94 1rg1 s PHE 477 Ca 0.11 1.80 0.09 0.00 0.00 0.00 0.00 56.93 58.93 1rg1 s PHE 477 Cb 0.17 -3.07 -0.04 0.00 0.00 0.00 0.00 43.02 40.08 1rg1 s PHE 477 CO 0.72 0.14 -0.23 -1.01 -0.00 0.00 0.00 175.22 174.83 1rg1 s HIS 478 N -0.34 2.00 0.63 0.36 3.76 0.20 -2.18 115.29 119.71 1rg1 s HIS 478 Ca 0.46 -0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 1rg1 s HIS 478 Cb -0.25 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1rg1 s HIS 478 CO 0.31 0.26 1.14 0.15 -0.85 0.00 0.00 174.74 175.75 1rg1 s LYS 479 N -1.96 2.89 0.02 1.40 1.02 0.13 -1.79 119.74 121.46 1rg1 s LYS 479 Ca 0.09 1.57 -0.30 0.00 0.02 0.00 0.00 55.97 57.35 1rg1 s LYS 479 Cb -0.10 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 1rg1 s LYS 479 CO 0.05 -1.21 1.22 -0.46 -0.92 0.00 0.00 175.35 174.03 1rg1 s TRP 480 N -2.02 3.30 -0.15 3.18 -0.11 -1.26 -4.48 118.94 117.39 1rg1 s TRP 480 Ca 0.71 1.22 -0.11 0.00 1.22 0.00 0.00 56.10 59.15 1rg1 s TRP 480 Cb -0.24 -3.45 0.05 0.00 -1.50 0.00 0.00 33.47 28.33 1rg1 s TRP 480 CO 0.37 -1.42 0.38 0.45 -4.62 0.00 0.00 176.95 172.11 1rg1 s SER 481 N 1.28 -0.44 -0.33 5.86 0.15 -1.26 -4.97 113.70 113.98 1rg1 s SER 481 Ca 0.58 0.81 0.15 0.00 0.70 0.00 0.00 55.95 58.19 1rg1 s SER 481 Cb -0.28 0.75 0.43 0.00 -1.71 0.00 0.00 66.02 65.21 1rg1 s SER 481 CO 0.27 -0.16 1.35 0.00 1.20 0.00 0.00 173.24 175.89 1rg1 n ALA 482 N 3.65 2.51 -0.31 5.45 0.00 -1.26 -0.82 120.51 129.72 1rg1 n ALA 482 Ca -0.19 -1.67 0.12 0.00 0.00 0.00 0.00 53.44 51.70 1rg1 n ALA 482 Cb 0.56 -0.89 0.30 0.00 0.00 0.00 0.00 19.45 19.42 1rg1 n ALA 482 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rg1 h GLU 483 N 1.79 0.51 -0.91 0.00 4.39 -1.91 -0.39 114.58 118.07 1rg1 h GLU 483 Ca -0.31 -0.03 0.26 0.00 0.34 0.00 0.00 59.36 59.62 1rg1 h GLU 483 Cb 1.28 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 1rg1 h GLU 483 CO -0.01 0.34 0.67 0.00 -1.16 0.00 0.00 179.01 178.85 1rg1 h THR 484 N 0.53 0.51 0.00 1.13 1.03 -1.87 -1.81 112.91 112.43 1rg1 h THR 484 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.95 1rg1 h THR 484 Cb 0.96 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1rg1 h THR 484 CO -0.46 0.00 -0.02 -1.54 -0.01 0.00 0.00 175.52 173.49 1rg1 n SER 485 N -4.20 1.99 -2.03 0.00 3.41 -0.59 -1.82 113.62 110.37 1rg1 n SER 485 Ca 0.19 -2.40 -0.19 0.00 -0.26 0.00 0.00 58.87 56.20 1rg1 n SER 485 Cb 0.99 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 1rg1 n SER 485 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rg1 n GLY 486 N -0.85 0.16 0.15 5.00 0.00 -0.62 -4.89 105.19 104.16 1rg1 n GLY 486 Ca 0.07 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1rg1 n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rg1 n ARG 487 N -2.75 1.22 0.21 1.61 1.74 -0.26 -4.70 116.66 113.73 1rg1 n ARG 487 Ca -0.22 -2.54 0.15 0.00 -0.77 0.00 0.00 57.85 54.46 1rg1 n ARG 487 Cb 0.67 -1.44 0.78 0.00 -1.02 0.00 0.00 32.46 31.45 1rg1 n ARG 487 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1rg1 h SER 488 N 0.10 0.00 -0.54 0.55 0.02 -1.90 -1.48 113.55 110.29 1rg1 h SER 488 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rg1 h SER 488 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1rg1 h SER 488 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 1rg1 n ASN 489 N -4.09 3.58 -4.21 3.07 3.02 -1.26 -4.77 115.26 110.59 1rg1 n ASN 489 Ca 0.00 -2.08 -0.41 0.00 -0.03 0.00 0.00 54.58 52.07 1rg1 n ASN 489 Cb 0.24 -0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 38.94 1rg1 n ASN 489 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rg1 s ALA 490 N -1.14 3.47 0.31 5.41 0.00 -0.56 -0.90 121.76 128.36 1rg1 s ALA 490 Ca 0.38 -2.67 -0.29 0.00 0.00 0.00 0.00 51.96 49.38 1rg1 s ALA 490 Cb 0.21 -2.88 -0.13 0.00 0.00 0.00 0.00 23.12 20.32 1rg1 s ALA 490 CO 0.24 -1.96 1.24 -1.33 0.00 0.00 0.00 175.76 173.96 1rg1 n MET 491 N 4.71 1.93 -2.54 0.00 2.81 -1.25 -3.05 117.12 119.73 1rg1 n MET 491 Ca -0.05 0.68 -0.42 0.00 -1.81 0.00 0.00 57.70 56.10 1rg1 n MET 491 Cb 0.41 -2.22 -0.03 0.00 -0.71 0.00 0.00 33.22 30.66 1rg1 n MET 491 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1rg1 s PRO 492 N -1.57 4.52 -0.00 0.03 0.04 -1.26 -0.94 135.00 135.82 1rg1 s PRO 492 Ca 0.58 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1rg1 s PRO 492 Cb -0.61 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 1rg1 s PRO 492 CO 0.60 -0.10 0.05 1.58 0.04 0.00 0.00 177.00 179.16 1rg1 n HIS 493 N 3.50 0.00 -1.24 0.56 -0.00 -0.31 -4.73 115.22 113.00 1rg1 n HIS 493 Ca 0.06 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.91 1rg1 n HIS 493 Cb 0.48 -0.00 0.11 0.00 -0.12 0.00 0.00 29.99 30.46 1rg1 n HIS 493 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1rg1 s ILE 494 N -1.14 2.14 -0.04 3.57 2.07 -0.38 -4.83 121.20 122.58 1rg1 s ILE 494 Ca 0.00 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.33 1rg1 s ILE 494 Cb 0.01 -2.55 0.01 0.00 0.13 0.00 0.00 42.46 40.06 1rg1 s ILE 494 CO 0.05 -0.04 -0.10 -0.54 -1.91 0.00 0.00 174.94 172.40 1rg1 s LYS 495 N -4.05 1.18 0.05 3.50 3.01 -1.24 -4.40 119.74 117.79 1rg1 s LYS 495 Ca 0.74 -0.34 -0.07 0.00 -1.01 0.00 0.00 55.97 55.30 1rg1 s LYS 495 Cb -0.29 -1.06 -0.01 0.00 -1.01 0.00 0.00 37.83 35.46 1rg1 s LYS 495 CO 0.49 0.09 0.12 0.95 0.51 0.00 0.00 175.35 177.51 1rg1 s THR 496 N 0.34 0.14 -0.01 2.17 -4.23 -0.12 -2.20 115.64 111.73 1rg1 s THR 496 Ca -0.06 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1rg1 s THR 496 Cb -0.11 -1.02 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 1rg1 s THR 496 CO 0.01 -0.62 0.04 -0.31 -0.54 0.00 0.00 174.62 173.20 1rg1 s TYR 497 N -2.91 0.04 0.25 3.99 2.02 -0.84 -0.31 117.35 119.60 1rg1 s TYR 497 Ca -0.02 -0.08 -0.22 0.00 -0.37 0.00 0.00 57.07 56.38 1rg1 s TYR 497 Cb 0.01 -0.05 0.03 0.00 -0.40 0.00 0.00 41.96 41.55 1rg1 s TYR 497 CO -0.06 -0.10 0.74 0.00 -1.57 0.00 0.00 175.55 174.56 1rg1 s MET 498 N -0.55 1.67 -0.55 -0.62 0.23 -0.26 -0.20 119.30 119.03 1rg1 s MET 498 Ca -0.06 -0.91 0.04 0.00 -1.03 0.00 0.00 55.69 53.73 1rg1 s MET 498 Cb -0.04 0.58 0.16 0.00 -1.53 0.00 0.00 34.83 34.00 1rg1 s MET 498 CO -0.00 -0.76 0.37 0.50 -2.03 0.00 0.00 175.02 173.09 1rg1 s ARG 499 N -3.82 1.74 0.67 3.16 6.06 -1.10 -1.23 118.95 124.43 1rg1 s ARG 499 Ca 0.10 -2.64 -0.11 0.00 -2.50 0.00 0.00 55.73 50.58 1rg1 s ARG 499 Cb -0.05 -2.66 -0.01 0.00 0.06 0.00 0.00 34.95 32.30 1rg1 s ARG 499 CO 0.05 -1.26 1.05 -2.14 -2.50 0.00 0.00 175.30 170.50 1rg1 s PRO 500 N -0.52 3.10 0.92 5.12 0.02 -1.21 -1.43 135.00 141.00 1rg1 s PRO 500 Ca 0.24 0.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.08 1rg1 s PRO 500 Cb -0.10 -2.01 0.14 0.00 0.02 0.00 0.00 34.50 32.55 1rg1 s PRO 500 CO -0.11 -0.97 1.12 -1.54 -0.33 0.00 0.00 177.00 175.16 1rg1 s SER 501 N -3.76 3.44 0.54 2.53 1.04 0.31 -2.97 113.70 114.83 1rg1 s SER 501 Ca 0.58 1.07 0.22 0.00 0.48 0.00 0.00 55.95 58.30 1rg1 s SER 501 Cb -0.14 -1.68 1.39 0.00 0.10 0.00 0.00 66.02 65.69 1rg1 s SER 501 CO 0.53 -2.61 2.07 -0.65 0.98 0.00 0.00 173.24 173.57 1rg1 h PRO 502 N -1.53 0.00 -0.61 4.02 0.11 -1.91 -0.86 132.00 131.21 1rg1 h PRO 502 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rg1 h PRO 502 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1rg1 h PRO 502 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1rg1 n ASP 503 N -4.35 3.77 -0.73 -2.05 5.68 -1.26 -4.95 116.55 112.66 1rg1 n ASP 503 Ca 0.03 -1.99 -0.10 0.00 -0.50 0.00 0.00 54.79 52.23 1rg1 n ASP 503 Cb 0.36 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 1rg1 n ASP 503 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1rg1 n PHE 504 N 1.57 0.00 0.15 2.11 3.01 -0.33 -4.85 117.46 119.12 1rg1 n PHE 504 Ca 0.22 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.75 1rg1 n PHE 504 Cb 0.61 -2.35 0.06 0.00 -0.01 0.00 0.00 39.48 37.79 1rg1 n PHE 504 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1rg1 h SER 505 N 0.00 0.00 -5.56 4.37 4.64 -1.93 -3.45 113.55 111.62 1rg1 h SER 505 Ca -0.20 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.90 1rg1 h SER 505 Cb 0.97 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.92 1rg1 h SER 505 CO 0.29 0.26 -0.58 -1.59 -0.87 0.00 0.00 176.83 174.33 1rg1 s LYS 506 N -3.11 1.23 0.02 4.77 -2.85 -1.26 -0.44 119.74 118.10 1rg1 s LYS 506 Ca 0.04 -1.60 0.02 0.00 -1.00 0.00 0.00 55.97 53.42 1rg1 s LYS 506 Cb 0.07 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1rg1 s LYS 506 CO 0.73 -0.41 -0.06 0.96 0.10 0.00 0.00 175.35 176.68 1rg1 s ILE 507 N -4.15 0.40 -0.50 3.79 -4.36 -0.09 -0.53 121.20 115.76 1rg1 s ILE 507 Ca 0.38 -0.59 0.24 0.00 -0.26 0.00 0.00 60.65 60.41 1rg1 s ILE 507 Cb 0.06 -0.41 0.21 0.00 1.25 0.00 0.00 42.46 43.58 1rg1 s ILE 507 CO 0.12 -0.14 1.49 0.00 0.24 0.00 0.00 174.94 176.64 1rg1 h ALA 508 N 5.32 0.83 -1.49 2.27 0.00 -1.55 -0.74 119.26 123.90 1rg1 h ALA 508 Ca -0.31 0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.87 1rg1 h ALA 508 Cb 1.20 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 1rg1 h ALA 508 CO 0.46 0.00 0.81 1.67 0.00 0.00 0.00 179.25 182.18 1rg1 s TRP 509 N -3.21 -0.11 -0.07 0.00 1.48 -1.26 -4.31 118.94 111.47 1rg1 s TRP 509 Ca 0.06 0.04 -0.05 0.00 -1.06 0.00 0.00 56.10 55.09 1rg1 s TRP 509 Cb 0.09 0.53 0.02 0.00 -1.16 0.00 0.00 33.47 32.95 1rg1 s TRP 509 CO 0.69 -0.24 0.17 0.12 -4.06 0.00 0.00 176.95 173.62 1rg1 s PHE 510 N -2.44 -0.19 -0.08 1.66 5.36 -0.95 -2.72 117.98 118.61 1rg1 s PHE 510 Ca 0.11 0.48 0.03 0.00 -0.96 0.00 0.00 56.93 56.59 1rg1 s PHE 510 Cb 0.01 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.73 1rg1 s PHE 510 CO -0.04 -0.11 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.24 1rg1 s LEU 511 N 0.37 1.90 -0.10 6.12 2.96 0.72 -0.53 118.68 130.12 1rg1 s LEU 511 Ca -0.02 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1rg1 s LEU 511 Cb -0.04 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1rg1 s LEU 511 CO -0.02 0.12 -0.15 0.54 -1.32 0.00 0.00 176.35 175.52 1rg1 s VAL 512 N 0.41 2.95 0.19 1.68 0.11 -0.96 -1.98 120.40 122.79 1rg1 s VAL 512 Ca -0.15 -0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 58.02 1rg1 s VAL 512 Cb -0.16 -2.20 0.02 0.00 -1.53 0.00 0.00 36.38 32.50 1rg1 s VAL 512 CO 0.06 0.55 0.48 0.28 -3.33 0.00 0.00 175.10 173.14 1rg1 s THR 513 N 0.03 0.03 -0.80 5.04 -1.32 -0.94 -0.59 115.64 117.10 1rg1 s THR 513 Ca -0.05 -0.90 0.27 0.00 -1.21 0.00 0.00 61.69 59.80 1rg1 s THR 513 Cb -0.14 -1.63 0.23 0.00 -1.51 0.00 0.00 72.50 69.45 1rg1 s THR 513 CO 0.04 -0.15 1.74 -1.54 -2.21 0.00 0.00 174.62 172.50 1rg1 n SER 514 N -0.32 0.60 -4.64 8.08 3.41 -0.54 -3.73 113.62 116.47 1rg1 n SER 514 Ca -0.09 0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 58.56 1rg1 n SER 514 Cb 0.62 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1rg1 n SER 514 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rg1 s ALA 515 N -3.08 3.44 0.97 7.33 0.00 -1.26 -4.93 121.76 124.22 1rg1 s ALA 515 Ca 0.11 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1rg1 s ALA 515 Cb 0.14 -3.79 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1rg1 s ALA 515 CO 0.60 -1.67 0.84 0.09 0.00 0.00 0.00 175.76 175.62 1rg1 n ASN 516 N 7.82 0.13 -4.28 0.00 3.02 -1.26 -4.84 115.26 115.85 1rg1 n ASN 516 Ca 0.18 -1.35 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 1rg1 n ASN 516 Cb 0.44 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1rg1 n ASN 516 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1rg1 n LEU 517 N 0.00 5.65 -3.90 3.41 7.94 -0.99 -4.73 117.00 124.37 1rg1 n LEU 517 Ca 0.11 -4.39 -0.11 0.00 -1.11 0.00 0.00 56.01 50.51 1rg1 n LEU 517 Cb 0.37 -1.61 -0.11 0.00 0.53 0.00 0.00 43.42 42.61 1rg1 n LEU 517 CO 0.27 0.82 -0.24 -0.94 -1.11 0.00 0.00 177.39 176.19 1rg1 s SER 518 N 2.61 0.08 0.43 1.96 1.04 -1.26 -1.00 113.70 117.56 1rg1 s SER 518 Ca 0.44 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.71 1rg1 s SER 518 Cb 0.03 0.17 0.95 0.00 0.10 0.00 0.00 66.02 67.27 1rg1 s SER 518 CO 0.01 -0.32 2.06 0.11 0.98 0.00 0.00 173.24 176.08 1rg1 h LYS 519 N 4.55 0.35 -0.70 4.02 1.57 -1.86 -1.70 116.57 122.80 1rg1 h LYS 519 Ca -0.31 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1rg1 h LYS 519 Cb 1.20 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 1rg1 h LYS 519 CO 0.41 0.27 0.22 0.00 -0.57 0.00 0.00 179.45 179.78 1rg1 h ALA 520 N 1.79 0.92 0.09 3.86 0.00 -1.91 0.26 119.26 124.27 1rg1 h ALA 520 Ca 0.09 0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.83 1rg1 h ALA 520 Cb 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rg1 h ALA 520 CO -0.01 -0.27 -1.60 0.00 0.00 0.00 0.00 179.25 177.37 1rg1 h ALA 521 N 1.54 0.39 0.00 0.00 0.00 -1.79 -2.03 119.26 117.37 1rg1 h ALA 521 Ca 0.38 -1.20 -0.20 0.00 0.00 0.00 0.00 54.91 53.89 1rg1 h ALA 521 Cb 0.59 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1rg1 h ALA 521 CO -0.43 1.25 -2.18 0.91 0.00 0.00 0.00 179.25 178.80 1rg1 n TRP 522 N -3.38 0.04 0.00 0.00 7.02 -0.67 -4.77 117.44 115.68 1rg1 n TRP 522 Ca -0.18 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 1rg1 n TRP 522 Cb 1.04 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 1rg1 n TRP 522 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rg1 n GLY 523 N 1.52 2.47 2.91 6.99 0.00 0.90 -1.09 105.19 118.89 1rg1 n GLY 523 Ca -0.20 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1rg1 n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg1 s ALA 524 N -1.71 0.70 0.21 4.61 0.00 0.05 -4.79 121.76 120.84 1rg1 s ALA 524 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 1rg1 s ALA 524 Cb 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.62 1rg1 s ALA 524 CO 0.00 0.02 1.47 -0.51 0.00 0.00 0.00 175.76 176.74 1rg1 s LEU 525 N 0.78 4.38 0.41 0.00 1.43 -1.26 -0.76 118.68 123.66 1rg1 s LEU 525 Ca -0.11 2.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 1rg1 s LEU 525 Cb -0.14 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1rg1 s LEU 525 CO 0.01 -0.73 0.09 -1.61 0.23 0.00 0.00 176.35 174.34 1rg1 s GLU 526 N 0.21 1.92 -1.26 1.70 2.02 0.39 -4.77 118.70 118.91 1rg1 s GLU 526 Ca 0.63 -2.16 -0.05 0.00 0.02 0.00 0.00 54.97 53.41 1rg1 s GLU 526 Cb -0.42 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 1rg1 s GLU 526 CO 0.38 -0.38 0.70 1.63 0.02 0.00 0.00 175.26 177.61 1rg1 n LYS 527 N -0.93 -3.63 -3.67 1.61 5.02 -1.26 -1.97 118.16 113.34 1rg1 n LYS 527 Ca -0.08 0.58 -0.22 0.00 -2.02 0.00 0.00 58.31 56.57 1rg1 n LYS 527 Cb 0.66 -4.91 0.05 0.00 -0.02 0.00 0.00 35.03 30.81 1rg1 n LYS 527 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rg1 n ASN 528 N -2.98 -2.61 -0.08 4.39 4.05 -1.26 -2.87 115.26 113.90 1rg1 n ASN 528 Ca -0.24 -0.74 -0.01 0.00 0.45 0.00 0.00 54.58 54.05 1rg1 n ASN 528 Cb 0.66 -4.38 -0.00 0.00 1.23 0.00 0.00 39.78 37.28 1rg1 n ASN 528 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1rg1 n GLY 529 N -1.55 0.49 0.00 8.20 0.00 -1.10 -4.90 105.19 106.34 1rg1 n GLY 529 Ca -0.20 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1rg1 n GLY 529 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rg1 n THR 530 N -2.86 0.00 -3.97 2.61 -2.24 -1.09 -4.93 114.28 101.80 1rg1 n THR 530 Ca -0.01 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1rg1 n THR 530 Cb 0.09 0.82 -0.17 0.00 -2.10 0.00 0.00 70.33 68.97 1rg1 n THR 530 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1rg1 s GLN 531 N -2.31 1.47 -0.24 -0.78 0.74 -0.83 -4.28 119.66 113.43 1rg1 s GLN 531 Ca 0.03 -0.24 -0.20 0.00 0.05 0.00 0.00 55.36 54.99 1rg1 s GLN 531 Cb 0.09 -1.51 -0.02 0.00 1.10 0.00 0.00 33.01 32.67 1rg1 s GLN 531 CO 0.50 -0.24 0.62 -1.17 -0.55 0.00 0.00 175.29 174.46 1rg1 s LEU 532 N 1.60 4.08 -0.16 3.68 2.96 -0.39 0.15 118.68 130.60 1rg1 s LEU 532 Ca 0.03 0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1rg1 s LEU 532 Cb -0.13 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 1rg1 s LEU 532 CO -0.07 -0.34 0.03 -0.32 -1.32 0.00 0.00 176.35 174.33 1rg1 s MET 533 N 2.36 3.71 -0.03 1.98 -2.45 0.06 -0.30 119.30 124.63 1rg1 s MET 533 Ca 0.26 -0.40 0.03 0.00 -1.25 0.00 0.00 55.69 54.33 1rg1 s MET 533 Cb -0.16 -3.06 0.00 0.00 1.25 0.00 0.00 34.83 32.87 1rg1 s MET 533 CO 0.09 0.35 -0.11 0.42 1.05 0.00 0.00 175.02 176.82 1rg1 s ILE 534 N 0.12 0.93 -0.12 10.11 1.01 -0.25 -0.77 121.20 132.23 1rg1 s ILE 534 Ca 0.03 -0.43 0.17 0.00 0.00 0.00 0.00 60.65 60.42 1rg1 s ILE 534 Cb -0.13 -0.83 -0.20 0.00 0.01 0.00 0.00 42.46 41.31 1rg1 s ILE 534 CO 0.01 0.29 0.59 0.54 0.00 0.00 0.00 174.94 176.38 1rg1 n ARG 535 N 3.36 0.64 -4.54 2.79 1.74 -0.79 -1.38 116.66 118.48 1rg1 n ARG 535 Ca -0.19 0.13 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 1rg1 n ARG 535 Cb 0.53 -1.71 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 1rg1 n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1rg1 s SER 536 N -5.61 3.65 -0.17 0.55 0.01 -1.01 -4.10 113.70 107.02 1rg1 s SER 536 Ca -0.05 -1.22 -0.17 0.00 1.31 0.00 0.00 55.95 55.81 1rg1 s SER 536 Cb 0.09 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1rg1 s SER 536 CO 0.83 -0.25 0.45 -0.31 0.41 0.00 0.00 173.24 174.37 1rg1 s TYR 537 N -2.67 3.42 0.08 2.43 1.51 -0.63 -2.84 117.35 118.65 1rg1 s TYR 537 Ca 0.33 0.75 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1rg1 s TYR 537 Cb 0.04 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 1rg1 s TYR 537 CO 0.16 0.03 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.38 1rg1 s GLU 538 N 1.16 0.74 -0.20 -0.62 0.41 -0.65 -1.06 118.70 118.48 1rg1 s GLU 538 Ca 0.23 -1.29 -0.16 0.00 -0.41 0.00 0.00 54.97 53.34 1rg1 s GLU 538 Cb -0.15 0.01 0.06 0.00 -1.78 0.00 0.00 34.13 32.27 1rg1 s GLU 538 CO 0.09 -0.08 0.52 -1.17 -0.49 0.00 0.00 175.26 174.13 1rg1 s LEU 539 N -2.99 -0.13 0.25 1.80 2.96 -1.26 -0.97 118.68 118.34 1rg1 s LEU 539 Ca 0.10 1.07 -0.09 0.00 -0.22 0.00 0.00 54.13 55.00 1rg1 s LEU 539 Cb 0.07 1.76 -0.01 0.00 0.50 0.00 0.00 46.19 48.51 1rg1 s LEU 539 CO -0.07 -0.19 0.40 -0.83 -1.32 0.00 0.00 176.35 174.34 1rg1 s GLY 540 N 0.69 0.86 -0.04 7.98 0.00 -0.52 -1.47 107.32 114.81 1rg1 s GLY 540 Ca -0.03 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1rg1 s GLY 540 CO -0.05 -0.85 -0.17 -1.34 0.00 0.00 0.00 173.10 170.69 1rg1 s VAL 541 N -3.92 1.42 -0.21 1.40 -7.23 0.25 -1.29 120.40 110.82 1rg1 s VAL 541 Ca 0.27 -0.71 -0.09 0.00 -1.81 0.00 0.00 61.98 59.64 1rg1 s VAL 541 Cb 0.01 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 1rg1 s VAL 541 CO 0.11 0.41 0.11 -0.22 -0.31 0.00 0.00 175.10 175.20 1rg1 s LEU 542 N 0.04 3.99 -0.32 1.32 2.96 0.11 -2.27 118.68 124.51 1rg1 s LEU 542 Ca -0.04 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.85 1rg1 s LEU 542 Cb -0.11 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1rg1 s LEU 542 CO 0.02 0.13 0.31 -0.36 -1.32 0.00 0.00 176.35 175.13 1rg1 s PHE 543 N 0.65 3.22 -0.13 5.38 0.40 0.31 -1.45 117.98 126.37 1rg1 s PHE 543 Ca 0.06 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1rg1 s PHE 543 Cb -0.13 -2.56 0.01 0.00 0.51 0.00 0.00 43.02 40.85 1rg1 s PHE 543 CO 0.01 -0.33 -0.22 -0.51 0.70 0.00 0.00 175.22 174.87 1rg1 s LEU 544 N 1.92 2.09 0.35 -0.37 1.43 -1.26 -2.23 118.68 120.61 1rg1 s LEU 544 Ca 0.10 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1rg1 s LEU 544 Cb -0.16 -1.42 0.86 0.00 0.03 0.00 0.00 46.19 45.50 1rg1 s LEU 544 CO 0.11 0.11 1.83 -0.65 0.23 0.00 0.00 176.35 177.97 1rg1 h PRO 545 N 7.12 0.62 -0.11 1.29 0.11 -1.81 0.47 132.00 139.70 1rg1 h PRO 545 Ca -0.28 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.82 1rg1 h PRO 545 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1rg1 h PRO 545 CO 0.52 0.41 0.15 0.66 -0.21 0.00 0.00 178.00 179.54 1rg1 h SER 546 N 0.64 0.00 1.24 -2.05 4.64 -1.67 0.21 113.55 116.56 1rg1 h SER 546 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1rg1 h SER 546 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1rg1 h SER 546 CO -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.70 1rg1 n ALA 547 N -2.24 2.09 -0.30 5.18 0.00 0.16 -2.40 120.51 122.99 1rg1 n ALA 547 Ca -0.00 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1rg1 n ALA 547 Cb 0.25 -1.45 0.14 0.00 0.00 0.00 0.00 19.45 18.40 1rg1 n ALA 547 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rg1 n LEU 548 N -2.25 2.87 -0.17 0.00 4.77 -0.22 -4.97 117.00 117.03 1rg1 n LEU 548 Ca 0.05 -2.20 -0.02 0.00 -0.03 0.00 0.00 56.01 53.81 1rg1 n LEU 548 Cb 0.37 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1rg1 n LEU 548 CO 0.27 0.68 -0.02 0.61 -1.33 0.00 0.00 177.39 177.60 1rg1 n GLY 549 N 0.09 0.43 3.67 -0.72 0.00 -0.94 -5.06 105.19 102.66 1rg1 n GLY 549 Ca 0.11 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 1rg1 n GLY 549 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg1 s LEU 550 N -0.48 3.00 -0.10 0.99 1.43 0.57 -4.94 118.68 119.15 1rg1 s LEU 550 Ca 0.00 -1.13 0.19 0.00 -1.03 0.00 0.00 54.13 52.16 1rg1 s LEU 550 Cb 0.00 -1.26 -0.28 0.00 0.03 0.00 0.00 46.19 44.68 1rg1 s LEU 550 CO 0.00 -0.41 0.28 0.47 0.23 0.00 0.00 176.35 176.93 1rg1 n ASP 551 N -1.06 0.33 -3.58 2.29 9.92 -1.26 -2.29 116.55 120.90 1rg1 n ASP 551 Ca -0.03 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.12 1rg1 n ASP 551 Cb 0.64 1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 42.62 1rg1 n ASP 551 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1rg1 s SER 552 N -4.77 -0.40 -0.12 -2.24 1.04 -1.26 -4.84 113.70 101.11 1rg1 s SER 552 Ca -0.08 -0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 1rg1 s SER 552 Cb 0.10 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 1rg1 s SER 552 CO 0.82 -1.01 0.13 -0.36 0.98 0.00 0.00 173.24 173.79 1rg1 s PHE 553 N -3.81 3.56 0.17 5.02 2.99 -0.29 -4.94 117.98 120.69 1rg1 s PHE 553 Ca 0.04 0.50 -0.30 0.00 0.00 0.00 0.00 56.93 57.17 1rg1 s PHE 553 Cb -0.01 -1.94 -0.07 0.00 0.00 0.00 0.00 43.02 41.00 1rg1 s PHE 553 CO -0.08 0.70 1.00 0.21 -0.00 0.00 0.00 175.22 177.05 1rg1 s LYS 554 N -0.95 4.71 0.10 0.44 2.20 -1.24 -0.92 119.74 124.08 1rg1 s LYS 554 Ca 0.15 1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 57.01 1rg1 s LYS 554 Cb -0.12 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 1rg1 s LYS 554 CO 0.04 0.26 1.17 0.08 -0.36 0.00 0.00 175.35 176.54 1rg1 s VAL 555 N -0.46 3.96 -0.44 4.02 1.01 0.42 -0.57 120.40 128.34 1rg1 s VAL 555 Ca 0.46 1.49 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 1rg1 s VAL 555 Cb -0.26 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1rg1 s VAL 555 CO 0.33 0.16 0.98 -0.75 0.00 0.00 0.00 175.10 175.81 1rg1 s LYS 556 N 0.61 3.67 0.52 2.72 2.20 -0.06 -4.83 119.74 124.57 1rg1 s LYS 556 Ca 0.56 0.39 0.30 0.00 -0.36 0.00 0.00 55.97 56.86 1rg1 s LYS 556 Cb -0.30 -3.89 1.41 0.00 -1.51 0.00 0.00 37.83 33.54 1rg1 s LYS 556 CO 0.31 -1.18 2.02 -0.56 -0.36 0.00 0.00 175.35 175.58 1rg1 h GLN 557 N 8.93 0.00 -3.88 4.03 -0.00 -1.93 -3.39 115.11 118.87 1rg1 h GLN 557 Ca -0.23 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 57.90 1rg1 h GLN 557 Cb 1.07 0.00 -0.38 0.00 -0.00 0.00 0.00 27.48 28.17 1rg1 h GLN 557 CO 1.04 0.11 -0.78 -1.59 -0.00 0.00 0.00 178.83 177.61 1rg1 s LYS 558 N -3.93 1.02 0.28 0.06 0.00 -1.26 -4.81 119.74 111.10 1rg1 s LYS 558 Ca -0.01 -0.34 0.02 0.00 0.00 0.00 0.00 55.97 55.64 1rg1 s LYS 558 Cb 0.11 -1.78 0.64 0.00 0.00 0.00 0.00 37.83 36.81 1rg1 s LYS 558 CO 0.57 -0.46 1.72 0.35 0.00 0.00 0.00 175.35 177.54 1rg1 h PHE 559 N 8.20 0.70 -3.11 1.78 3.57 -1.55 -3.50 116.94 123.04 1rg1 h PHE 559 Ca -0.21 0.04 -0.81 0.00 3.53 0.00 0.00 57.97 60.52 1rg1 h PHE 559 Cb 1.12 -0.18 -0.28 0.00 2.79 0.00 0.00 35.95 39.40 1rg1 h PHE 559 CO 0.41 0.05 0.69 1.19 -2.23 0.00 0.00 178.31 178.43 1rg1 n PHE 560 N -4.97 3.26 0.00 0.41 3.01 -1.26 -4.96 117.46 112.95 1rg1 n PHE 560 Ca 0.20 -3.02 0.00 0.00 1.01 0.00 0.00 57.45 55.64 1rg1 n PHE 560 Cb 0.56 -1.41 0.00 0.00 -0.01 0.00 0.00 39.48 38.62 1rg1 n PHE 560 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rg1 n ALA 568 N 1.80 0.38 -3.22 4.37 0.00 -1.26 -5.11 120.51 117.47 1rg1 n ALA 568 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 1rg1 n ALA 568 Cb 0.35 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 1rg1 n ALA 568 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rg1 s THR 569 N 0.74 3.37 -0.10 0.00 -4.23 -1.26 -3.60 115.64 110.56 1rg1 s THR 569 Ca 0.00 -0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 59.70 1rg1 s THR 569 Cb 0.00 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 1rg1 s THR 569 CO 0.00 0.48 0.98 0.12 -0.54 0.00 0.00 174.62 175.66 1rg1 s PHE 570 N 0.81 3.52 -1.17 3.99 5.36 0.26 -4.66 117.98 126.08 1rg1 s PHE 570 Ca -0.03 1.56 -0.21 0.00 -0.96 0.00 0.00 56.93 57.29 1rg1 s PHE 570 Cb -0.15 -3.15 -0.01 0.00 -0.34 0.00 0.00 43.02 39.36 1rg1 s PHE 570 CO 0.01 -0.20 1.82 -1.25 -1.46 0.00 0.00 175.22 174.14 1rg1 s PRO 571 N 1.92 3.12 -0.04 10.12 0.04 -1.26 -0.89 135.00 148.02 1rg1 s PRO 571 Ca 0.47 -1.32 -0.30 0.00 0.04 0.00 0.00 61.00 59.89 1rg1 s PRO 571 Cb -0.18 -5.33 -0.05 0.00 0.04 0.00 0.00 34.50 28.97 1rg1 s PRO 571 CO 0.18 -3.13 1.53 0.08 0.04 0.00 0.00 177.00 175.70 1rg1 s VAL 572 N 7.95 3.64 -0.81 -0.36 1.01 -1.26 -4.90 120.40 125.67 1rg1 s VAL 572 Ca 0.61 0.90 0.23 0.00 0.00 0.00 0.00 61.98 63.72 1rg1 s VAL 572 Cb 0.00 -3.58 0.22 0.00 0.00 0.00 0.00 36.38 33.02 1rg1 s VAL 572 CO 0.07 -0.05 1.70 -0.81 0.00 0.00 0.00 175.10 176.02 1rg1 n PRO 573 N 6.35 0.11 -4.41 2.72 -0.04 -1.26 -4.73 135.00 133.73 1rg1 n PRO 573 Ca 0.15 0.23 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 1rg1 n PRO 573 Cb 0.43 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 1rg1 n PRO 573 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1rg1 s TYR 574 N -3.10 1.83 0.41 0.54 1.13 -1.26 -4.27 117.35 112.63 1rg1 s TYR 574 Ca 0.09 -1.04 -0.19 0.00 -1.41 0.00 0.00 57.07 54.51 1rg1 s TYR 574 Cb 0.12 -1.16 -0.10 0.00 -1.10 0.00 0.00 41.96 39.72 1rg1 s TYR 574 CO 0.43 -0.11 0.91 -0.51 -2.51 0.00 0.00 175.55 173.75 1rg1 s ASP 575 N -3.44 6.88 0.06 -0.18 -0.00 -0.00 -4.90 116.67 115.08 1rg1 s ASP 575 Ca 0.36 1.59 0.07 0.00 -0.00 0.00 0.00 52.55 54.58 1rg1 s ASP 575 Cb 0.08 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.47 1rg1 s ASP 575 CO 0.15 -0.34 -0.19 -0.76 -0.00 0.00 0.00 175.17 174.03 1rg1 s LEU 576 N -3.20 2.22 0.69 1.23 1.43 -1.26 -4.03 118.68 115.75 1rg1 s LEU 576 Ca 0.60 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1rg1 s LEU 576 Cb -0.09 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1rg1 s LEU 576 CO 0.15 0.08 1.06 -2.16 0.23 0.00 0.00 176.35 175.71 1rg1 s PRO 577 N -1.44 3.01 0.56 1.29 0.04 -1.26 -5.09 135.00 132.11 1rg1 s PRO 577 Ca 0.05 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 61.77 1rg1 s PRO 577 Cb -0.09 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1rg1 s PRO 577 CO 0.02 -1.02 1.14 -2.14 0.04 0.00 0.00 177.00 175.05 1rg1 s PRO 578 N -5.09 3.22 -0.25 0.56 0.02 -1.26 -5.00 135.00 127.20 1rg1 s PRO 578 Ca 0.58 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 1rg1 s PRO 578 Cb -0.13 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 1rg1 s PRO 578 CO 0.55 -0.96 0.17 -2.00 -0.33 0.00 0.00 177.00 174.42 1rg1 s GLU 579 N -3.36 4.04 0.64 5.54 2.12 -1.26 -4.99 118.70 121.42 1rg1 s GLU 579 Ca 0.73 -0.28 -0.17 0.00 0.36 0.00 0.00 54.97 55.60 1rg1 s GLU 579 Cb -0.25 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 1rg1 s GLU 579 CO 0.29 0.00 1.22 -1.17 -0.54 0.00 0.00 175.26 175.06 1rg1 s LEU 580 N 1.22 3.54 0.42 2.70 2.96 -1.26 -0.69 118.68 127.58 1rg1 s LEU 580 Ca 0.07 2.40 -0.25 0.00 -0.22 0.00 0.00 54.13 56.13 1rg1 s LEU 580 Cb -0.14 -4.60 -0.10 0.00 0.50 0.00 0.00 46.19 41.86 1rg1 s LEU 580 CO 0.06 -1.84 1.28 -1.22 -1.32 0.00 0.00 176.35 173.31 1rg1 n TYR 581 N -1.98 2.17 -1.13 5.38 4.02 -0.93 -4.62 117.16 120.08 1rg1 n TYR 581 Ca 0.14 0.50 -0.29 0.00 -0.01 0.00 0.00 57.90 58.23 1rg1 n TYR 581 Cb 0.50 -2.38 0.20 0.00 -0.02 0.00 0.00 39.34 37.63 1rg1 n TYR 581 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1rg1 s GLY 582 N -0.53 1.56 0.34 2.72 0.00 -1.26 -4.92 107.32 105.23 1rg1 s GLY 582 Ca 0.61 -0.50 0.27 0.00 0.00 0.00 0.00 44.72 45.09 1rg1 s GLY 582 CO 0.58 0.18 1.79 1.48 0.00 0.00 0.00 173.10 177.12 1rg1 h SER 583 N -2.10 0.00 0.11 1.64 4.64 -2.04 -2.45 113.55 113.35 1rg1 h SER 583 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1rg1 h SER 583 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1rg1 h SER 583 CO 0.53 0.00 -0.70 2.29 -0.87 0.00 0.00 176.83 178.08 1rg1 n LYS 584 N -2.51 0.41 -2.59 4.77 2.85 -1.26 -4.97 118.16 114.85 1rg1 n LYS 584 Ca 0.02 -0.32 -0.36 0.00 -1.05 0.00 0.00 58.31 56.60 1rg1 n LYS 584 Cb 0.30 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.14 1rg1 n LYS 584 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rg1 s ASP 585 N -2.81 6.85 0.07 -5.58 1.01 -0.92 -5.07 116.67 110.22 1rg1 s ASP 585 Ca 0.13 1.99 0.04 0.00 0.71 0.00 0.00 52.55 55.43 1rg1 s ASP 585 Cb 0.17 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1rg1 s ASP 585 CO 0.72 -0.42 -0.12 -0.13 0.21 0.00 0.00 175.17 175.43 1rg1 s ARG 586 N -2.46 0.75 0.42 8.23 0.52 -1.26 -4.85 118.95 120.30 1rg1 s ARG 586 Ca 0.57 -0.95 -0.26 0.00 -0.52 0.00 0.00 55.73 54.56 1rg1 s ARG 586 Cb -0.21 -0.64 -0.09 0.00 0.52 0.00 0.00 34.95 34.53 1rg1 s ARG 586 CO 0.26 0.13 1.45 -1.25 0.02 0.00 0.00 175.30 175.91 1rg1 s PRO 587 N -1.92 3.86 0.16 3.54 0.04 -1.26 -0.12 135.00 139.29 1rg1 s PRO 587 Ca -0.02 2.47 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 1rg1 s PRO 587 Cb -0.08 -2.79 -0.11 0.00 0.04 0.00 0.00 34.50 31.56 1rg1 s PRO 587 CO 0.01 -0.69 1.78 -0.46 0.04 0.00 0.00 177.00 177.69 1rg1 s TRP 588 N -1.17 2.45 -0.11 0.56 -0.11 -0.49 -4.42 118.94 115.65 1rg1 s TRP 588 Ca 0.58 0.13 0.01 0.00 1.22 0.00 0.00 56.10 58.03 1rg1 s TRP 588 Cb -0.45 -4.16 0.02 0.00 -1.50 0.00 0.00 33.47 27.38 1rg1 s TRP 588 CO 0.59 -4.63 -0.12 0.42 -4.62 0.00 0.00 176.95 168.58 1rg1 s ILE 589 N 2.12 1.28 -0.30 5.86 1.01 -1.26 -4.61 121.20 125.31 1rg1 s ILE 589 Ca 0.78 -0.49 0.19 0.00 0.00 0.00 0.00 60.65 61.13 1rg1 s ILE 589 Cb -0.47 -1.21 0.20 0.00 0.01 0.00 0.00 42.46 40.99 1rg1 s ILE 589 CO 0.35 0.40 1.53 4.11 0.00 0.00 0.00 174.94 181.33 1rg1 h TRP 590 N 7.66 0.00 -0.45 3.97 5.08 -0.96 -3.33 115.95 127.91 1rg1 h TRP 590 Ca -0.32 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.46 1rg1 h TRP 590 Cb 1.16 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 27.20 1rg1 h TRP 590 CO 0.48 0.25 0.06 0.27 -1.28 0.00 0.00 178.44 178.22 1rg1 n ASN 591 N -3.16 3.08 -4.37 0.11 6.94 -1.26 -4.82 115.26 111.76 1rg1 n ASN 591 Ca 0.03 -3.57 -0.20 0.00 -0.02 0.00 0.00 54.58 50.82 1rg1 n ASN 591 Cb 0.63 -0.65 -0.10 0.00 -2.36 0.00 0.00 39.78 37.29 1rg1 n ASN 591 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1rg1 s ILE 592 N -3.16 1.93 0.35 1.53 -4.36 -1.25 -4.89 121.20 111.35 1rg1 s ILE 592 Ca 0.47 -2.23 -0.19 0.00 -0.26 0.00 0.00 60.65 58.44 1rg1 s ILE 592 Cb 0.41 -2.09 -0.10 0.00 1.25 0.00 0.00 42.46 41.93 1rg1 s ILE 592 CO 0.04 -0.52 0.83 -2.16 0.24 0.00 0.00 174.94 173.37 1rg1 s PRO 593 N -3.52 4.16 -0.27 0.37 0.04 -1.26 -4.69 135.00 129.84 1rg1 s PRO 593 Ca 0.24 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1rg1 s PRO 593 Cb -0.02 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.18 1rg1 s PRO 593 CO 0.09 0.12 0.00 0.71 0.04 0.00 0.00 177.00 177.96 1rg1 s TYR 594 N -1.98 2.41 -0.02 0.56 2.02 0.74 -4.96 117.35 116.12 1rg1 s TYR 594 Ca 0.56 -1.92 0.03 0.00 -0.37 0.00 0.00 57.07 55.37 1rg1 s TYR 594 Cb -0.11 -1.81 0.05 0.00 -0.40 0.00 0.00 41.96 39.69 1rg1 s TYR 594 CO 0.17 -0.82 0.89 1.33 -1.57 0.00 0.00 175.55 175.54 1rg1 n VAL 595 N 4.66 0.76 0.08 0.71 0.24 -1.26 -1.11 118.33 122.41 1rg1 n VAL 595 Ca -0.07 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.24 1rg1 n VAL 595 Cb 0.43 0.51 -0.14 0.00 -1.47 0.00 0.00 33.84 33.17 1rg1 n VAL 595 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1rg1 h LYS 596 N 0.00 0.27 -2.88 7.34 1.79 -1.98 -3.47 116.57 117.64 1rg1 h LYS 596 Ca 0.00 -0.46 -0.13 0.00 -2.18 0.00 0.00 60.65 57.87 1rg1 h LYS 596 Cb 0.84 0.17 -0.24 0.00 -1.58 0.00 0.00 32.23 31.42 1rg1 h LYS 596 CO 0.00 1.17 -0.29 0.00 -1.08 0.00 0.00 179.45 179.25 1rg1 s ALA 597 N -2.63 -0.88 0.57 3.86 0.00 -1.26 -5.17 121.76 116.25 1rg1 s ALA 597 Ca -0.07 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1rg1 s ALA 597 Cb 0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1rg1 s ALA 597 CO 0.87 -0.18 0.92 -1.25 0.00 0.00 0.00 175.76 176.12 1rg1 s PRO 598 N -0.02 3.34 0.67 0.00 0.04 -1.26 -4.86 135.00 132.91 1rg1 s PRO 598 Ca -0.02 0.34 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 1rg1 s PRO 598 Cb -0.03 -2.23 0.13 0.00 0.04 0.00 0.00 34.50 32.42 1rg1 s PRO 598 CO 0.01 -0.52 0.91 -0.40 0.04 0.00 0.00 177.00 177.04 1rg1 n ASP 599 N -2.56 1.08 0.07 6.66 3.85 0.77 -4.88 116.55 121.54 1rg1 n ASP 599 Ca 0.04 -1.95 0.05 0.00 -0.71 0.00 0.00 54.79 52.22 1rg1 n ASP 599 Cb 0.56 -0.60 0.26 0.00 -1.35 0.00 0.00 41.12 39.98 1rg1 n ASP 599 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1rg1 n THR 600 N -2.78 1.52 0.48 2.12 -2.24 -1.06 -0.82 114.28 111.51 1rg1 n THR 600 Ca 0.15 0.56 0.10 0.00 -2.27 0.00 0.00 64.05 62.58 1rg1 n THR 600 Cb 0.52 -1.54 0.13 0.00 -2.10 0.00 0.00 70.33 67.34 1rg1 n THR 600 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rg1 n HIS 601 N -1.82 0.23 -0.72 4.78 8.25 -1.26 -4.97 115.22 119.72 1rg1 n HIS 601 Ca -0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1rg1 n HIS 601 Cb 0.03 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1rg1 n HIS 601 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rg1 n GLY 602 N 1.14 0.62 3.92 -1.41 0.00 -0.00 -5.06 105.19 104.39 1rg1 n GLY 602 Ca 0.14 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1rg1 n GLY 602 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rg1 s ASN 603 N -2.20 5.91 0.48 1.61 0.01 -1.26 -4.75 114.94 114.73 1rg1 s ASN 603 Ca 0.00 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.05 1rg1 s ASN 603 Cb 0.00 -1.51 0.03 0.00 0.41 0.00 0.00 41.25 40.17 1rg1 s ASN 603 CO 0.00 -0.16 0.25 0.23 -1.51 0.00 0.00 177.10 175.91 1rg1 n MET 604 N -1.38 0.81 -3.85 -0.60 2.81 -1.26 -0.16 117.12 113.49 1rg1 n MET 604 Ca -0.06 -3.13 -0.28 0.00 -1.81 0.00 0.00 57.70 52.42 1rg1 n MET 604 Cb 0.58 0.51 -0.16 0.00 -0.71 0.00 0.00 33.22 33.43 1rg1 n MET 604 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1rg1 s TRP 605 N -2.49 1.59 -0.34 2.03 -0.11 -0.26 -5.00 118.94 114.37 1rg1 s TRP 605 Ca 0.19 -1.09 -0.01 0.00 1.22 0.00 0.00 56.10 56.41 1rg1 s TRP 605 Cb -0.01 -1.26 0.11 0.00 -1.50 0.00 0.00 33.47 30.81 1rg1 s TRP 605 CO 0.12 -0.63 0.15 0.08 -4.62 0.00 0.00 176.95 172.06 1rg1 s VAL 606 N 1.67 0.65 -2.00 5.86 1.01 -1.26 -0.18 120.40 126.14 1rg1 s VAL 606 Ca -0.01 -1.55 0.32 0.00 0.00 0.00 0.00 61.98 60.74 1rg1 s VAL 606 Cb -0.16 -1.48 0.91 0.00 0.00 0.00 0.00 36.38 35.64 1rg1 s VAL 606 CO -0.07 -0.79 2.22 -0.81 0.00 0.00 0.00 175.10 175.65