#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 0.10 1.20 0.13 -2.03 -3.33 132.00 128.06 1rg1 h PRO 163 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1rg1 h PRO 163 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1rg1 h PRO 163 CO 0.00 0.00 -1.83 0.74 -0.23 0.00 0.00 178.00 176.68 1rg1 h PHE 164 N 0.00 0.39 -5.36 1.56 0.04 -1.99 -3.48 116.94 108.09 1rg1 h PHE 164 Ca 0.00 -0.28 -0.40 0.00 2.80 0.00 0.00 57.97 60.09 1rg1 h PHE 164 Cb 0.77 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 1rg1 h PHE 164 CO 0.00 1.53 -0.60 1.04 -0.60 0.00 0.00 178.31 179.68 1rg1 n GLN 165 N -3.38 -4.01 -3.61 1.51 1.13 -1.25 -4.82 117.38 102.94 1rg1 n GLN 165 Ca -0.25 0.59 -0.37 0.00 -1.94 0.00 0.00 57.00 55.03 1rg1 n GLN 165 Cb 1.05 -5.36 -0.09 0.00 0.11 0.00 0.00 30.24 25.95 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 -3.04 3.31 0.14 1.08 2.19 -1.26 -2.08 117.98 118.32 1rg1 s PHE 166 Ca 0.42 0.27 0.06 0.00 0.33 0.00 0.00 56.93 58.00 1rg1 s PHE 166 Cb -0.21 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 1rg1 s PHE 166 CO 0.52 0.03 -0.13 0.71 1.83 0.00 0.00 175.22 178.18 1rg1 s TYR 167 N 1.17 1.39 0.16 10.12 1.51 0.72 -4.98 117.35 127.44 1rg1 s TYR 167 Ca 0.09 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1rg1 s TYR 167 Cb -0.14 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1rg1 s TYR 167 CO 0.06 0.15 0.24 -0.51 -1.11 0.00 0.00 175.55 174.38 1rg1 s LEU 168 N -2.78 4.17 0.63 -1.29 1.43 -1.26 0.10 118.68 119.68 1rg1 s LEU 168 Ca 0.13 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1rg1 s LEU 168 Cb -0.02 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1rg1 s LEU 168 CO 0.03 0.05 1.09 0.42 0.23 0.00 0.00 176.35 178.17 1rg1 s THR 169 N -1.76 3.45 0.41 5.49 -4.23 -0.90 -1.48 115.64 116.62 1rg1 s THR 169 Ca 0.33 0.69 -0.27 0.00 -1.18 0.00 0.00 61.69 61.27 1rg1 s THR 169 Cb -0.11 -3.22 -0.09 0.00 1.34 0.00 0.00 72.50 70.43 1rg1 s THR 169 CO 0.27 -0.40 1.41 -0.13 -0.54 0.00 0.00 174.62 175.23 1rg1 s ARG 170 N -4.04 3.93 -0.17 3.99 0.52 -0.80 -4.61 118.95 117.77 1rg1 s ARG 170 Ca 0.66 2.39 -0.01 0.00 -0.52 0.00 0.00 55.73 58.25 1rg1 s ARG 170 Cb -0.19 -2.81 -0.00 0.00 0.52 0.00 0.00 34.95 32.47 1rg1 s ARG 170 CO 0.39 -0.61 -0.12 0.08 0.02 0.00 0.00 175.30 175.05 1rg1 s VAL 171 N -1.18 2.83 0.03 3.52 1.01 -1.26 -4.55 120.40 120.79 1rg1 s VAL 171 Ca 0.57 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 1rg1 s VAL 171 Cb -0.43 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1rg1 s VAL 171 CO 0.56 0.49 0.75 -0.94 0.00 0.00 0.00 175.10 175.97 1rg1 s SER 172 N 1.02 7.18 0.00 3.32 1.04 -0.16 -3.75 113.70 122.34 1rg1 s SER 172 Ca -0.01 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1rg1 s SER 172 Cb -0.15 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1rg1 s SER 172 CO -0.02 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1rg1 n GLY 173 N 2.46 0.87 3.68 7.32 0.00 -1.26 -4.81 105.19 113.45 1rg1 n GLY 173 Ca -0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.32 0.34 1.61 -7.23 -1.25 -5.10 120.40 110.10 1rg1 s VAL 174 Ca 0.00 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 1rg1 s VAL 174 Cb 0.00 -2.91 -0.12 0.00 0.56 0.00 0.00 36.38 33.91 1rg1 s VAL 174 CO 0.00 -0.30 1.32 0.29 -0.31 0.00 0.00 175.10 176.09 1rg1 n LYS 175 N -0.99 2.20 0.20 4.82 5.02 -1.26 -4.84 118.16 123.31 1rg1 n LYS 175 Ca -0.05 0.77 0.18 0.00 -2.02 0.00 0.00 58.31 57.19 1rg1 n LYS 175 Cb 0.60 -2.38 0.79 0.00 -0.02 0.00 0.00 35.03 34.03 1rg1 n LYS 175 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1rg1 h PRO 176 N 2.63 0.00 0.00 1.97 0.13 -1.98 0.18 132.00 134.93 1rg1 h PRO 176 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1rg1 h PRO 176 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1rg1 h PRO 176 CO 0.63 0.00 -0.13 1.57 -0.23 0.00 0.00 178.00 179.84 1rg1 h LYS 177 N 0.00 0.00 -0.00 0.86 2.10 -2.01 -1.92 116.57 115.59 1rg1 h LYS 177 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1rg1 h LYS 177 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1rg1 h LYS 177 CO -0.00 0.13 -0.24 0.66 -2.00 0.00 0.00 179.45 178.00 1rg1 n TYR 178 N -3.92 0.00 -0.23 0.07 4.01 0.62 -3.17 117.16 114.54 1rg1 n TYR 178 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 1rg1 n TYR 178 Cb 0.22 -0.25 0.18 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.18 3.08 0.20 7.72 3.02 -0.74 -4.79 115.26 122.56 1rg1 n ASN 179 Ca 0.10 -2.04 -0.15 0.00 -0.03 0.00 0.00 54.58 52.46 1rg1 n ASN 179 Cb 0.32 -0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 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 2.26 -0.39 -0.84 6.41 4.64 -1.46 -2.68 113.55 121.50 1rg1 h SER 180 Ca 0.00 -0.05 -0.50 0.00 -0.47 0.00 0.00 61.79 60.77 1rg1 h SER 180 Cb 0.79 0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 62.72 1rg1 h SER 180 CO 0.01 -0.19 0.65 0.61 -0.87 0.00 0.00 176.83 177.03 1rg1 n GLY 181 N -1.01 4.72 3.66 -0.77 0.00 -1.26 -4.97 105.19 105.56 1rg1 n GLY 181 Ca -0.10 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.00 3.19 -0.04 4.61 0.00 -1.01 -4.44 121.76 121.07 1rg1 s ALA 182 Ca 0.51 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1rg1 s ALA 182 Cb 0.42 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1rg1 s ALA 182 CO 0.04 0.49 -0.19 -0.51 0.00 0.00 0.00 175.76 175.59 1rg1 s LEU 183 N -2.92 1.96 0.28 0.00 1.43 -0.55 -4.69 118.68 114.19 1rg1 s LEU 183 Ca 0.27 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1rg1 s LEU 183 Cb -0.09 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 1rg1 s LEU 183 CO 0.18 0.18 0.43 -2.28 0.23 0.00 0.00 176.35 175.09 1rg1 s HIS 184 N -0.07 3.43 0.44 0.29 5.65 -1.26 -1.91 115.29 121.86 1rg1 s HIS 184 Ca -0.02 0.07 0.16 0.00 0.25 0.00 0.00 55.06 55.51 1rg1 s HIS 184 Cb -0.11 -1.71 1.06 0.00 -1.18 0.00 0.00 32.58 30.64 1rg1 s HIS 184 CO 0.02 0.30 1.94 0.97 -0.65 0.00 0.00 174.74 177.33 1rg1 h ILE 185 N 1.02 0.82 -0.68 0.89 2.10 -1.96 -1.06 117.51 118.63 1rg1 h ILE 185 Ca -0.51 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.29 1rg1 h ILE 185 Cb 1.23 0.40 -0.03 0.00 -1.09 0.00 0.00 36.82 37.33 1rg1 h ILE 185 CO 0.60 0.07 0.40 0.11 -1.08 0.00 0.00 178.15 178.26 1rg1 h LYS 186 N 0.39 0.93 -0.40 2.19 1.57 -1.95 -1.60 116.57 117.70 1rg1 h LYS 186 Ca 0.33 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1rg1 h LYS 186 Cb 0.76 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1rg1 h LYS 186 CO -0.10 0.66 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.70 1rg1 h ASP 187 N 0.94 0.91 -0.22 0.86 3.32 -1.55 -2.17 116.42 118.51 1rg1 h ASP 187 Ca 0.25 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1rg1 h ASP 187 Cb -0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1rg1 h ASP 187 CO -0.04 1.14 0.01 0.40 -1.72 0.00 0.00 179.24 179.03 1rg1 h ILE 188 N 0.74 1.18 -0.02 0.35 2.04 -0.94 -2.96 117.51 117.89 1rg1 h ILE 188 Ca 0.08 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1rg1 h ILE 188 Cb 0.87 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1rg1 h ILE 188 CO 0.08 0.25 -0.05 0.18 0.00 0.00 0.00 178.15 178.61 1rg1 n LEU 189 N -4.30 2.46 -4.73 1.44 4.77 -0.67 -4.86 117.00 111.11 1rg1 n LEU 189 Ca 0.01 -0.82 -0.31 0.00 -0.03 0.00 0.00 56.01 54.86 1rg1 n LEU 189 Cb 0.23 -0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1rg1 n LEU 189 CO 0.38 0.41 0.70 -0.94 -1.33 0.00 0.00 177.39 176.62 1rg1 s SER 190 N -2.05 3.96 0.57 -1.43 1.04 -0.83 -4.52 113.70 110.44 1rg1 s SER 190 Ca 0.30 2.00 0.35 0.00 0.48 0.00 0.00 55.95 59.08 1rg1 s SER 190 Cb 0.20 -2.54 1.56 0.00 0.10 0.00 0.00 66.02 65.34 1rg1 s SER 190 CO 0.34 -2.41 2.06 -0.65 0.98 0.00 0.00 173.24 173.56 1rg1 h PRO 191 N -1.27 0.00 0.00 4.02 0.11 -1.90 -1.90 132.00 131.05 1rg1 h PRO 191 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1rg1 h PRO 191 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1rg1 h PRO 191 CO 0.48 0.01 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.20 1rg1 h LEU 192 N 0.00 0.00 0.00 2.35 3.38 -1.92 -2.43 115.31 116.69 1rg1 h LEU 192 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rg1 h LEU 192 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rg1 h LEU 192 CO 0.00 0.01 -0.62 0.49 0.09 0.00 0.00 178.44 178.41 1rg1 n PHE 193 N -3.32 0.12 0.00 1.13 3.01 -0.71 -5.02 117.46 112.65 1rg1 n PHE 193 Ca -0.03 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1rg1 n PHE 193 Cb 0.12 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 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 1.46 3.61 3.40 1.37 0.00 -0.92 -5.04 105.19 109.07 1rg1 n GLY 194 Ca 0.05 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 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 4.75 0.42 2.61 2.01 -1.26 -4.41 115.64 117.76 1rg1 s THR 195 Ca 0.00 -1.05 -0.26 0.00 0.31 0.00 0.00 61.69 60.69 1rg1 s THR 195 Cb 0.00 -4.58 -0.09 0.00 0.01 0.00 0.00 72.50 67.85 1rg1 s THR 195 CO 0.00 -1.25 1.32 -0.22 -0.69 0.00 0.00 174.62 173.78 1rg1 s LEU 196 N 2.81 4.18 0.00 4.42 2.96 -1.26 -1.42 118.68 130.37 1rg1 s LEU 196 Ca 0.18 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.78 1rg1 s LEU 196 Cb -0.19 -3.92 0.00 0.00 0.50 0.00 0.00 46.19 42.58 1rg1 s LEU 196 CO 0.03 -0.92 0.00 0.52 -1.32 0.00 0.00 176.35 174.66 1rg1 n VAL 197 N 0.03 0.00 -3.55 1.68 0.31 0.47 -4.82 118.33 112.45 1rg1 n VAL 197 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.29 1rg1 n VAL 197 Cb 0.43 -0.48 -0.03 0.00 -0.91 0.00 0.00 33.84 32.85 1rg1 n VAL 197 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rg1 s SER 198 N -2.62 -0.32 0.06 4.52 0.15 -0.99 -4.26 113.70 110.24 1rg1 s SER 198 Ca 0.00 0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.66 1rg1 s SER 198 Cb 0.00 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1rg1 s SER 198 CO 0.00 -0.43 0.35 -0.94 1.20 0.00 0.00 173.24 173.41 1rg1 s SER 199 N -1.86 -0.17 -0.08 5.45 1.04 -0.83 -1.02 113.70 116.23 1rg1 s SER 199 Ca 0.03 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1rg1 s SER 199 Cb -0.01 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1rg1 s SER 199 CO -0.04 -0.68 -0.18 0.00 0.98 0.00 0.00 173.24 173.33 1rg1 s ALA 200 N -2.83 1.66 -0.33 5.32 0.00 0.36 -1.29 121.76 124.65 1rg1 s ALA 200 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1rg1 s ALA 200 Cb 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.54 1rg1 s ALA 200 CO -0.05 0.20 0.05 -0.65 0.00 0.00 0.00 175.76 175.31 1rg1 s GLN 201 N 0.47 1.95 -0.04 0.00 -1.52 0.19 -0.91 119.66 119.79 1rg1 s GLN 201 Ca -0.15 -1.64 -0.20 0.00 -1.95 0.00 0.00 55.36 51.42 1rg1 s GLN 201 Cb -0.16 -3.24 -0.05 0.00 -0.22 0.00 0.00 33.01 29.34 1rg1 s GLN 201 CO 0.06 -0.84 0.57 -0.06 -0.25 0.00 0.00 175.29 174.77 1rg1 s PHE 202 N 1.07 3.63 0.09 0.91 0.40 0.01 -1.03 117.98 123.06 1rg1 s PHE 202 Ca 0.03 1.12 -0.16 0.00 -0.60 0.00 0.00 56.93 57.32 1rg1 s PHE 202 Cb -0.20 -2.61 0.06 0.00 0.51 0.00 0.00 43.02 40.77 1rg1 s PHE 202 CO -0.05 0.28 0.75 -1.71 0.70 0.00 0.00 175.22 175.19 1rg1 n ASN 203 N 3.08 -1.11 -0.05 1.36 2.85 -0.77 -1.79 115.26 118.83 1rg1 n ASN 203 Ca -0.06 -1.52 -0.06 0.00 -0.11 0.00 0.00 54.58 52.83 1rg1 n ASN 203 Cb 0.51 1.79 -0.02 0.00 1.24 0.00 0.00 39.78 43.30 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 -0.53 0.00 -4.33 1.20 9.36 -1.23 -4.36 117.16 117.26 1rg1 n TYR 204 Ca -0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 1rg1 n TYR 204 Cb 0.40 -0.31 -0.10 0.00 -0.63 0.00 0.00 39.34 38.70 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 -0.67 1.38 -0.45 0.00 0.40 -1.26 -1.46 117.98 115.93 1rg1 s PHE 206 Ca 0.11 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1rg1 s PHE 206 Cb -0.12 -0.93 0.12 0.00 0.51 0.00 0.00 43.02 42.60 1rg1 s PHE 206 CO 0.02 -0.10 0.21 0.34 0.70 0.00 0.00 175.22 176.39 1rg1 s ASP 207 N -0.03 4.94 0.21 1.36 -1.08 0.10 -4.96 116.67 117.21 1rg1 s ASP 207 Ca -0.01 -2.40 -0.11 0.00 -0.52 0.00 0.00 52.55 49.51 1rg1 s ASP 207 Cb -0.09 -1.74 0.15 0.00 -1.46 0.00 0.00 42.92 39.77 1rg1 s ASP 207 CO 0.01 -0.41 1.88 0.58 0.52 0.00 0.00 175.17 177.75 1rg1 h VAL 208 N 6.07 1.19 -0.02 1.11 2.07 -1.89 0.15 116.25 124.93 1rg1 h VAL 208 Ca -0.07 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1rg1 h VAL 208 Cb 0.99 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1rg1 h VAL 208 CO 0.65 0.18 0.01 0.44 0.02 0.00 0.00 177.57 178.87 1rg1 h ASP 209 N 0.99 0.02 -0.58 0.57 3.45 -1.95 -0.69 116.42 118.23 1rg1 h ASP 209 Ca 0.27 -0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.71 1rg1 h ASP 209 Cb -0.11 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 1rg1 h ASP 209 CO -0.06 0.06 0.35 -0.25 -1.57 0.00 0.00 179.24 177.76 1rg1 h TRP 210 N -0.02 0.65 0.05 4.55 7.01 -1.85 -2.93 115.95 123.42 1rg1 h TRP 210 Ca 0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1rg1 h TRP 210 Cb 0.04 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1rg1 h TRP 210 CO -0.06 0.36 -0.04 1.25 -2.79 0.00 0.00 178.44 177.16 1rg1 h LEU 211 N 0.68 -0.10 -1.44 0.65 5.85 -0.09 -2.01 115.31 118.86 1rg1 h LEU 211 Ca 0.23 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1rg1 h LEU 211 Cb 0.03 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1rg1 h LEU 211 CO -0.11 -0.06 0.43 0.58 -0.34 0.00 0.00 178.44 178.94 1rg1 h VAL 212 N -0.09 1.05 0.00 1.05 2.07 -1.10 -0.61 116.25 118.62 1rg1 h VAL 212 Ca -0.00 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1rg1 h VAL 212 Cb 0.08 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1rg1 h VAL 212 CO -0.00 0.13 -0.06 0.11 0.02 0.00 0.00 177.57 177.77 1rg1 h LYS 213 N 0.71 0.00 0.00 1.57 6.56 -1.18 -2.41 116.57 121.82 1rg1 h LYS 213 Ca 0.27 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.81 1rg1 h LYS 213 Cb 0.16 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 1rg1 h LYS 213 CO -0.08 0.06 -0.22 1.96 -2.06 0.00 0.00 179.45 179.11 1rg1 h GLN 214 N 0.00 0.00 -6.91 3.15 1.08 -0.79 -3.43 115.11 108.21 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 0.53 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1rg1 h GLN 214 CO 0.01 0.22 0.43 0.71 -0.95 0.00 0.00 178.83 179.24 1rg1 s TYR 215 N -3.58 3.36 0.48 2.96 1.51 -0.91 -4.42 117.35 116.75 1rg1 s TYR 215 Ca 0.01 1.66 -0.24 0.00 -1.01 0.00 0.00 57.07 57.50 1rg1 s TYR 215 Cb 0.10 -3.18 -0.07 0.00 -0.11 0.00 0.00 41.96 38.70 1rg1 s TYR 215 CO 0.64 -0.62 1.35 -2.14 -1.11 0.00 0.00 175.55 173.68 1rg1 s PRO 216 N -2.16 3.52 0.23 -1.71 0.02 -1.26 -4.74 135.00 128.89 1rg1 s PRO 216 Ca 0.54 2.24 -0.10 0.00 0.02 0.00 0.00 61.00 63.69 1rg1 s PRO 216 Cb -0.25 -2.49 0.34 0.00 0.02 0.00 0.00 34.50 32.12 1rg1 s PRO 216 CO 0.32 -0.89 1.63 -1.35 -0.33 0.00 0.00 177.00 176.38 1rg1 h PRO 217 N 2.00 0.05 -0.08 5.54 0.11 -1.93 0.42 132.00 138.10 1rg1 h PRO 217 Ca -0.51 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1rg1 h PRO 217 Cb 1.27 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1rg1 h PRO 217 CO 0.60 0.03 0.11 1.05 -0.21 0.00 0.00 178.00 179.58 1rg1 h GLU 218 N 0.05 0.00 -0.00 1.05 9.09 -2.03 -2.15 114.58 120.58 1rg1 h GLU 218 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1rg1 h GLU 218 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1rg1 h GLU 218 CO -0.68 0.00 -0.79 1.19 0.05 0.00 0.00 179.01 178.78 1rg1 n PHE 219 N -3.71 0.00 0.23 2.06 3.72 0.14 -4.58 117.46 115.32 1rg1 n PHE 219 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 1rg1 n PHE 219 Cb 0.21 0.00 0.70 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.67 0.00 -0.01 -1.08 3.08 -0.51 -2.16 114.38 114.36 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 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1rg1 h ARG 220 CO 0.00 0.00 -0.46 1.63 -1.07 0.00 0.00 179.97 180.07 1rg1 n LYS 221 N -2.43 1.46 -1.94 0.04 4.76 -1.26 -4.96 118.16 113.83 1rg1 n LYS 221 Ca -0.01 -0.73 -0.37 0.00 -2.87 0.00 0.00 58.31 54.34 1rg1 n LYS 221 Cb 0.07 -1.34 0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1rg1 n LYS 221 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rg1 s LYS 222 N -2.21 2.96 0.32 1.97 -0.14 -0.81 -4.74 119.74 117.09 1rg1 s LYS 222 Ca 0.14 1.94 -0.29 0.00 -1.36 0.00 0.00 55.97 56.39 1rg1 s LYS 222 Cb 0.15 -1.99 -0.12 0.00 -1.68 0.00 0.00 37.83 34.19 1rg1 s LYS 222 CO 0.51 -1.25 1.45 -2.30 -0.76 0.00 0.00 175.35 173.00 1rg1 n PRO 223 N -1.50 2.43 -4.25 -1.68 -0.02 -1.26 -4.86 135.00 123.85 1rg1 n PRO 223 Ca 0.13 0.86 -0.24 0.00 -2.02 0.00 0.00 63.50 62.23 1rg1 n PRO 223 Cb 0.48 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.25 1rg1 n PRO 223 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rg1 s ILE 224 N -0.66 0.91 -0.22 4.25 1.01 0.05 -1.97 121.20 124.57 1rg1 s ILE 224 Ca 0.59 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1rg1 s ILE 224 Cb -0.53 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1rg1 s ILE 224 CO 0.57 0.32 0.14 -0.22 0.00 0.00 0.00 174.94 175.75 1rg1 s LEU 225 N 1.08 4.13 -0.27 2.97 2.96 -0.41 -0.76 118.68 128.37 1rg1 s LEU 225 Ca -0.07 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 1rg1 s LEU 225 Cb -0.14 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1rg1 s LEU 225 CO -0.01 0.13 0.25 -0.76 -1.32 0.00 0.00 176.35 174.63 1rg1 s LEU 226 N 0.69 4.04 -0.31 -0.68 1.43 0.09 0.57 118.68 124.51 1rg1 s LEU 226 Ca 0.07 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1rg1 s LEU 226 Cb -0.12 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1rg1 s LEU 226 CO 0.01 -0.08 0.12 -0.69 0.23 0.00 0.00 176.35 175.94 1rg1 s VAL 227 N 1.77 4.23 0.33 -1.59 1.01 -0.20 -0.73 120.40 125.24 1rg1 s VAL 227 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1rg1 s VAL 227 Cb -0.16 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1rg1 s VAL 227 CO 0.10 0.03 0.19 -1.38 0.00 0.00 0.00 175.10 174.04 1rg1 s HIS 228 N 1.54 1.68 -0.09 5.22 -0.00 -0.88 -1.86 115.29 120.91 1rg1 s HIS 228 Ca 0.03 -1.45 0.13 0.00 -0.00 0.00 0.00 55.06 53.77 1rg1 s HIS 228 Cb -0.17 -0.87 0.19 0.00 -0.00 0.00 0.00 32.58 31.73 1rg1 s HIS 228 CO 0.04 -0.59 1.08 0.41 -0.00 0.00 0.00 174.74 175.69 1rg1 n GLY 229 N -0.66 3.81 3.77 -1.38 0.00 -1.26 -0.29 105.19 109.18 1rg1 n GLY 229 Ca 0.01 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.22 5.68 0.16 1.61 1.01 -1.26 -4.83 116.67 116.81 1rg1 s ASP 230 Ca 0.21 2.26 0.03 0.00 0.71 0.00 0.00 52.55 55.77 1rg1 s ASP 230 Cb 0.19 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1rg1 s ASP 230 CO 0.02 -1.25 -0.06 -0.54 0.21 0.00 0.00 175.17 173.54 1rg1 s LYS 231 N -3.18 1.09 5.10 8.23 1.02 -1.26 -4.44 119.74 126.30 1rg1 s LYS 231 Ca 0.72 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1rg1 s LYS 231 Cb -0.27 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1rg1 s LYS 231 CO 0.30 -0.00 0.00 0.54 -0.92 0.00 0.00 175.35 175.27 1rg1 n ARG 232 N -0.22 0.00 0.02 1.68 1.74 -1.26 -1.79 116.66 116.83 1rg1 n ARG 232 Ca -0.09 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1rg1 n ARG 232 Cb 0.62 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.13 1rg1 n ARG 232 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1rg1 h GLU 233 N 0.00 0.48 -0.21 5.56 4.11 -1.98 -0.41 114.58 122.13 1rg1 h GLU 233 Ca 0.00 -0.30 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 1rg1 h GLU 233 Cb 0.00 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1rg1 h GLU 233 CO 0.00 0.90 0.05 0.00 0.07 0.00 0.00 179.01 180.04 1rg1 h ALA 234 N 1.03 0.27 -0.43 1.06 0.00 -1.75 0.71 119.26 120.15 1rg1 h ALA 234 Ca 0.01 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1rg1 h ALA 234 Cb 1.08 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1rg1 h ALA 234 CO 0.10 -0.09 0.13 -0.22 0.00 0.00 0.00 179.25 179.17 1rg1 h LYS 235 N 0.15 0.28 -0.49 0.00 3.64 -1.29 -0.70 116.57 118.16 1rg1 h LYS 235 Ca 0.07 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1rg1 h LYS 235 Cb 0.26 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 1rg1 h LYS 235 CO -0.00 0.18 -0.08 0.00 -2.27 0.00 0.00 179.45 177.28 1rg1 h ALA 236 N 1.29 0.36 -0.23 5.00 0.00 -0.71 -0.28 119.26 124.70 1rg1 h ALA 236 Ca 0.20 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1rg1 h ALA 236 Cb 0.21 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rg1 h ALA 236 CO -0.22 -0.43 0.15 1.25 0.00 0.00 0.00 179.25 179.99 1rg1 h HIS 237 N 0.03 0.29 -0.18 0.00 -0.00 -0.07 0.50 115.15 115.72 1rg1 h HIS 237 Ca 0.24 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1rg1 h HIS 237 Cb 0.36 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 1rg1 h HIS 237 CO -0.38 0.19 -0.06 1.25 -0.00 0.00 0.00 177.93 178.92 1rg1 h LEU 238 N 0.30 -0.22 -0.73 0.26 5.85 -0.61 0.24 115.31 120.40 1rg1 h LEU 238 Ca 0.08 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1rg1 h LEU 238 Cb -0.02 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1rg1 h LEU 238 CO -0.02 -0.08 0.45 0.45 -0.34 0.00 0.00 178.44 178.90 1rg1 h HIS 239 N -0.03 0.85 -0.39 1.25 3.86 -0.80 -0.96 115.15 118.93 1rg1 h HIS 239 Ca 0.09 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.38 1rg1 h HIS 239 Cb 0.17 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 1rg1 h HIS 239 CO -0.22 0.47 0.11 0.00 0.86 0.00 0.00 177.93 179.15 1rg1 h ALA 240 N 1.32 0.44 -0.69 2.45 0.00 -0.12 0.32 119.26 122.98 1rg1 h ALA 240 Ca 0.30 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1rg1 h ALA 240 Cb 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1rg1 h ALA 240 CO -0.12 -0.29 0.46 1.96 0.00 0.00 0.00 179.25 181.26 1rg1 h GLN 241 N 0.25 0.64 0.12 0.00 4.20 0.53 -3.20 115.11 117.64 1rg1 h GLN 241 Ca 0.18 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.54 1rg1 h GLN 241 Cb 0.19 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1rg1 h GLN 241 CO -0.21 0.42 -1.63 0.00 -0.67 0.00 0.00 178.83 176.74 1rg1 h ALA 242 N 1.63 0.33 -0.75 3.87 0.00 -0.06 -3.40 119.26 120.88 1rg1 h ALA 242 Ca 0.31 -1.18 0.20 0.00 0.00 0.00 0.00 54.91 54.23 1rg1 h ALA 242 Cb 0.34 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 1rg1 h ALA 242 CO -0.10 1.19 -0.02 1.17 0.00 0.00 0.00 179.25 181.49 1rg1 n LYS 243 N -3.43 -0.06 0.06 0.00 4.81 -0.01 0.14 118.16 119.66 1rg1 n LYS 243 Ca -0.19 1.13 0.04 0.00 -0.87 0.00 0.00 58.31 58.42 1rg1 n LYS 243 Cb 1.05 -1.78 0.19 0.00 0.02 0.00 0.00 35.03 34.51 1rg1 n LYS 243 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1rg1 n PRO 244 N -5.07 0.05 -3.88 1.64 -0.02 -1.26 -4.31 135.00 122.13 1rg1 n PRO 244 Ca 0.17 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 1rg1 n PRO 244 Cb 0.54 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 32.22 1rg1 n PRO 244 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1rg1 s TYR 245 N -3.15 3.66 0.29 6.00 2.02 0.12 -4.97 117.35 121.33 1rg1 s TYR 245 Ca -0.01 -2.69 0.01 0.00 -0.37 0.00 0.00 57.07 54.01 1rg1 s TYR 245 Cb 0.02 -3.09 0.54 0.00 -0.40 0.00 0.00 41.96 39.03 1rg1 s TYR 245 CO 0.06 -0.96 1.87 1.05 -1.57 0.00 0.00 175.55 176.01 1rg1 h GLU 246 N 7.83 0.99 0.00 -0.62 4.11 -1.82 -2.22 114.58 122.85 1rg1 h GLU 246 Ca -0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1rg1 h GLU 246 Cb 1.03 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1rg1 h GLU 246 CO 0.62 0.65 0.00 0.27 0.07 0.00 0.00 179.01 180.62 1rg1 n ASN 247 N -4.55 0.00 -4.68 3.06 6.94 -1.26 -4.78 115.26 109.99 1rg1 n ASN 247 Ca 0.17 -0.52 -0.35 0.00 -0.02 0.00 0.00 54.58 53.86 1rg1 n ASN 247 Cb 0.28 -0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.52 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 -2.18 5.01 0.32 1.53 1.01 -0.84 -0.77 121.20 125.29 1rg1 s ILE 248 Ca 0.31 0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.10 1rg1 s ILE 248 Cb 0.16 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1rg1 s ILE 248 CO 0.30 0.47 -0.02 -0.44 0.00 0.00 0.00 174.94 175.25 1rg1 s SER 249 N 0.25 4.13 0.12 3.58 0.01 0.06 -4.96 113.70 116.89 1rg1 s SER 249 Ca 0.06 -0.96 0.09 0.00 1.31 0.00 0.00 55.95 56.44 1rg1 s SER 249 Cb -0.12 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1rg1 s SER 249 CO -0.00 -0.18 -0.23 -0.76 0.41 0.00 0.00 173.24 172.48 1rg1 s LEU 250 N -3.68 2.32 -0.19 2.44 1.02 -1.26 -0.73 118.68 118.60 1rg1 s LEU 250 Ca 0.34 -0.72 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 1rg1 s LEU 250 Cb -0.01 -1.00 0.05 0.00 0.02 0.00 0.00 46.19 45.25 1rg1 s LEU 250 CO 0.19 0.09 -0.02 0.00 0.02 0.00 0.00 176.35 176.63 1rg1 s GLN 252 N 1.67 3.92 -0.08 0.00 0.74 -1.26 -2.06 119.66 122.58 1rg1 s GLN 252 Ca -0.01 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 1rg1 s GLN 252 Cb -0.17 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.15 1rg1 s GLN 252 CO -0.07 -0.89 1.13 0.00 -0.55 0.00 0.00 175.29 174.91 1rg1 s ALA 253 N 3.44 3.48 0.28 1.58 0.00 0.61 -4.96 121.76 126.17 1rg1 s ALA 253 Ca 0.39 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1rg1 s ALA 253 Cb -0.12 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 1rg1 s ALA 253 CO 0.17 -0.74 1.61 0.36 0.00 0.00 0.00 175.76 177.17 1rg1 n LYS 254 N 5.23 2.70 -3.77 0.00 2.85 -1.26 -4.67 118.16 119.24 1rg1 n LYS 254 Ca 0.10 0.96 -0.28 0.00 -1.05 0.00 0.00 58.31 58.05 1rg1 n LYS 254 Cb 0.47 -2.75 -0.11 0.00 -0.65 0.00 0.00 35.03 31.98 1rg1 n LYS 254 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1rg1 n LEU 255 N 2.47 2.34 0.00 -5.58 4.77 -1.26 -4.96 117.00 114.78 1rg1 n LEU 255 Ca 0.10 -5.05 0.12 0.00 -0.03 0.00 0.00 56.01 51.15 1rg1 n LEU 255 Cb 0.36 -0.48 0.56 0.00 -2.33 0.00 0.00 43.42 41.54 1rg1 n LEU 255 CO 0.64 1.80 0.90 0.47 -1.33 0.00 0.00 177.39 179.87 1rg1 n ASP 256 N 2.07 0.00 -4.46 -1.43 10.43 -1.26 -4.70 116.55 117.19 1rg1 n ASP 256 Ca 0.22 0.35 -0.33 0.00 2.57 0.00 0.00 54.79 57.60 1rg1 n ASP 256 Cb 0.38 -0.44 -0.13 0.00 1.84 0.00 0.00 41.12 42.77 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 -2.89 3.25 0.47 0.53 1.01 -1.26 -5.09 121.20 117.22 1rg1 s ILE 257 Ca 0.15 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1rg1 s ILE 257 Cb 0.17 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.24 1rg1 s ILE 257 CO 0.44 0.56 1.33 0.00 0.00 0.00 0.00 174.94 177.27 1rg1 s ALA 258 N -0.31 3.08 -0.81 9.38 0.00 -1.26 -2.45 121.76 129.39 1rg1 s ALA 258 Ca 0.03 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1rg1 s ALA 258 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1rg1 s ALA 258 CO 0.03 -1.06 0.00 1.19 0.00 0.00 0.00 175.76 175.91 1rg1 n PHE 259 N -0.39 0.00 -2.78 0.00 3.72 -1.26 -5.00 117.46 111.75 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 0.44 -1.76 -0.03 0.00 -0.94 0.00 0.00 39.48 37.19 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 -2.60 1.94 0.08 1.37 0.00 -1.03 -4.90 107.32 102.18 1rg1 s GLY 260 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.57 1rg1 s GLY 260 CO 0.00 0.03 -0.08 -0.51 0.00 0.00 0.00 173.10 172.54 1rg1 s THR 261 N -2.42 0.70 -0.89 0.90 -4.23 -1.26 -4.98 115.64 103.46 1rg1 s THR 261 Ca 0.52 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1rg1 s THR 261 Cb -0.10 -1.29 0.14 0.00 1.34 0.00 0.00 72.50 72.59 1rg1 s THR 261 CO 0.32 -0.66 1.04 -2.28 -0.54 0.00 0.00 174.62 172.51 1rg1 s HIS 262 N -2.69 3.22 -0.94 3.99 2.46 -1.26 -2.06 115.29 118.01 1rg1 s HIS 262 Ca 0.04 -1.46 0.20 0.00 0.47 0.00 0.00 55.06 54.31 1rg1 s HIS 262 Cb -0.01 -4.19 -0.22 0.00 -0.13 0.00 0.00 32.58 28.03 1rg1 s HIS 262 CO -0.02 -1.40 0.85 1.58 -2.47 0.00 0.00 174.74 173.28 1rg1 n HIS 263 N 6.11 0.00 -1.69 3.88 -0.00 -0.60 -3.52 115.22 119.40 1rg1 n HIS 263 Ca 0.20 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.48 1rg1 n HIS 263 Cb 0.48 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.99 30.44 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 -1.49 1.17 -3.90 3.57 -1.04 -1.09 -4.60 114.28 106.90 1rg1 n THR 264 Ca 0.04 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.05 61.40 1rg1 n THR 264 Cb 0.32 -1.58 -0.14 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.72 2.45 -0.08 -2.82 3.01 -1.26 -2.70 119.74 117.62 1rg1 s LYS 265 Ca 0.65 -1.25 -0.12 0.00 -1.01 0.00 0.00 55.97 54.24 1rg1 s LYS 265 Cb -0.61 -3.18 0.03 0.00 -1.01 0.00 0.00 37.83 33.06 1rg1 s LYS 265 CO 0.52 -0.61 0.31 1.41 0.51 0.00 0.00 175.35 177.49 1rg1 s MET 266 N 1.26 0.47 -0.10 1.68 1.75 -0.74 -1.72 119.30 121.90 1rg1 s MET 266 Ca -0.05 0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.62 1rg1 s MET 266 Cb -0.20 0.22 -0.02 0.00 2.84 0.00 0.00 34.83 37.67 1rg1 s MET 266 CO -0.01 -0.09 -0.12 -1.64 -0.65 0.00 0.00 175.02 172.52 1rg1 s MET 267 N -0.33 3.10 -0.21 4.11 -1.94 0.63 -0.81 119.30 123.86 1rg1 s MET 267 Ca -0.05 -0.65 -0.05 0.00 -1.71 0.00 0.00 55.69 53.23 1rg1 s MET 267 Cb -0.03 -2.59 -0.02 0.00 2.01 0.00 0.00 34.83 34.20 1rg1 s MET 267 CO 0.02 0.38 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.89 1rg1 s LEU 268 N -0.08 3.12 -0.33 -0.03 1.43 -0.09 -1.06 118.68 121.64 1rg1 s LEU 268 Ca -0.01 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1rg1 s LEU 268 Cb -0.14 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.38 1rg1 s LEU 268 CO 0.03 0.02 0.04 -0.76 0.23 0.00 0.00 176.35 175.92 1rg1 s LEU 269 N 1.26 4.30 -0.24 1.79 1.43 0.29 -0.48 118.68 127.02 1rg1 s LEU 269 Ca 0.03 -2.02 -0.20 0.00 -1.03 0.00 0.00 54.13 50.92 1rg1 s LEU 269 Cb -0.15 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1rg1 s LEU 269 CO 0.00 -0.37 0.61 -0.22 0.23 0.00 0.00 176.35 176.60 1rg1 s LEU 270 N 1.02 4.08 0.39 1.79 2.96 -0.19 -1.09 118.68 127.64 1rg1 s LEU 270 Ca 0.09 0.70 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 1rg1 s LEU 270 Cb -0.19 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 1rg1 s LEU 270 CO -0.10 -0.33 0.14 -0.31 -1.32 0.00 0.00 176.35 174.43 1rg1 s TYR 271 N 2.30 2.61 0.42 5.38 2.02 0.91 -0.39 117.35 130.59 1rg1 s TYR 271 Ca 0.26 -0.53 0.10 0.00 -0.37 0.00 0.00 57.07 56.53 1rg1 s TYR 271 Cb -0.16 -1.82 0.93 0.00 -0.40 0.00 0.00 41.96 40.52 1rg1 s TYR 271 CO 0.09 0.27 2.02 0.93 -1.57 0.00 0.00 175.55 177.29 1rg1 h GLU 272 N 1.53 0.49 -0.01 -0.62 5.08 -1.56 -3.00 114.58 116.48 1rg1 h GLU 272 Ca -0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1rg1 h GLU 272 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1rg1 h GLU 272 CO 0.68 0.32 -0.33 0.39 -1.00 0.00 0.00 179.01 179.08 1rg1 n GLU 273 N -4.47 0.98 -0.59 2.33 4.71 -1.26 -5.04 120.64 117.30 1rg1 n GLU 273 Ca 0.07 -0.68 0.00 0.00 -0.01 0.00 0.00 57.16 56.54 1rg1 n GLU 273 Cb 0.22 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1rg1 n GLU 273 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rg1 n GLY 274 N 1.37 0.09 2.97 0.62 0.00 -1.14 -4.57 105.19 104.53 1rg1 n GLY 274 Ca 0.11 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 1.89 0.00 0.99 2.96 -0.21 -0.06 118.68 124.25 1rg1 s LEU 275 Ca 0.00 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1rg1 s LEU 275 Cb 0.00 -0.38 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 1rg1 s LEU 275 CO 0.00 0.06 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.32 1rg1 s ARG 276 N 0.02 1.37 -0.09 1.98 3.52 -0.25 -0.53 118.95 124.97 1rg1 s ARG 276 Ca 0.00 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1rg1 s ARG 276 Cb -0.05 -1.35 -0.01 0.00 -1.56 0.00 0.00 34.95 31.98 1rg1 s ARG 276 CO -0.00 0.36 -0.22 0.08 -0.81 0.00 0.00 175.30 174.71 1rg1 s VAL 277 N -0.51 2.27 -0.11 7.11 1.01 -1.26 -0.55 120.40 128.36 1rg1 s VAL 277 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1rg1 s VAL 277 Cb -0.07 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1rg1 s VAL 277 CO -0.00 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 1rg1 s VAL 278 N 0.19 1.43 -0.15 2.92 1.01 -0.22 -1.02 120.40 124.55 1rg1 s VAL 278 Ca -0.13 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1rg1 s VAL 278 Cb -0.16 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1rg1 s VAL 278 CO 0.07 0.43 -0.20 -0.63 0.00 0.00 0.00 175.10 174.76 1rg1 s ILE 279 N 1.14 1.99 0.00 2.22 1.01 -0.80 -0.27 121.20 126.49 1rg1 s ILE 279 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1rg1 s ILE 279 Cb -0.14 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1rg1 s ILE 279 CO -0.04 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1rg1 n HIS 280 N 4.28 -0.27 -0.32 3.97 1.44 -0.70 -0.30 115.22 123.33 1rg1 n HIS 280 Ca -0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 1rg1 n HIS 280 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 0.21 -3.82 0.61 -2.24 -0.81 -4.30 114.28 103.93 1rg1 n THR 281 Ca 0.00 -0.45 -0.37 0.00 -2.27 0.00 0.00 64.05 60.96 1rg1 n THR 281 Cb 0.00 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.21 6.45 0.73 3.42 0.01 -1.26 -4.78 113.70 118.06 1rg1 s SER 282 Ca 0.00 0.54 -0.11 0.00 1.31 0.00 0.00 55.95 57.69 1rg1 s SER 282 Cb 0.00 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.16 1rg1 s SER 282 CO 0.00 0.39 1.08 0.20 0.41 0.00 0.00 173.24 175.32 1rg1 s ASN 283 N -1.01 4.93 -1.26 2.44 0.01 -1.26 -4.92 114.94 113.86 1rg1 s ASN 283 Ca 0.16 1.77 -0.09 0.00 -0.71 0.00 0.00 52.86 53.99 1rg1 s ASN 283 Cb -0.13 -2.52 0.18 0.00 0.41 0.00 0.00 41.25 39.19 1rg1 s ASN 283 CO 0.05 -1.75 1.82 0.18 -1.51 0.00 0.00 177.10 175.89 1rg1 n LEU 284 N -3.19 6.53 -3.80 0.60 4.77 -0.53 -4.73 117.00 116.65 1rg1 n LEU 284 Ca 0.09 -4.67 -0.13 0.00 -0.03 0.00 0.00 56.01 51.27 1rg1 n LEU 284 Cb 0.53 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.05 1rg1 n LEU 284 CO 0.53 1.35 -0.04 0.27 -1.33 0.00 0.00 177.39 178.17 1rg1 s ILE 285 N 0.28 0.06 0.17 -0.08 -4.36 -1.26 0.00 121.20 116.02 1rg1 s ILE 285 Ca 0.39 -0.53 -0.17 0.00 -0.26 0.00 0.00 60.65 60.08 1rg1 s ILE 285 Cb 0.08 -0.55 0.11 0.00 1.25 0.00 0.00 42.46 43.35 1rg1 s ILE 285 CO 0.01 -0.29 1.66 -0.74 0.24 0.00 0.00 174.94 175.82 1rg1 h HIS 286 N 4.03 -0.26 0.00 1.37 -0.00 -1.94 -2.49 115.15 115.86 1rg1 h HIS 286 Ca -0.30 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1rg1 h HIS 286 Cb 1.18 0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 28.77 1rg1 h HIS 286 CO 0.54 -0.20 -0.01 0.00 -0.00 0.00 0.00 177.93 178.27 1rg1 h ALA 287 N 1.39 1.03 0.00 5.26 0.00 -1.98 -1.83 119.26 123.13 1rg1 h ALA 287 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rg1 h ALA 287 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rg1 h ALA 287 CO -0.45 0.01 0.00 -0.44 0.00 0.00 0.00 179.25 178.38 1rg1 h ASP 288 N 0.00 0.00 -0.26 0.00 3.45 -1.73 -3.10 116.42 114.78 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 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1rg1 h ASP 288 CO 0.00 0.00 0.00 0.79 -1.57 0.00 0.00 179.24 178.46 1rg1 n TRP 289 N -2.43 0.37 -0.01 4.55 7.02 -0.70 -4.60 117.44 121.64 1rg1 n TRP 289 Ca 0.05 -0.52 -0.01 0.00 -1.02 0.00 0.00 57.50 55.99 1rg1 n TRP 289 Cb 0.42 -0.05 -0.00 0.00 -2.42 0.00 0.00 31.31 29.26 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 0.22 0.00 -2.00 -5.99 -0.00 -1.12 -4.74 115.22 101.59 1rg1 n HIS 290 Ca 0.09 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.32 1rg1 n HIS 290 Cb 0.41 -0.08 0.12 0.00 -0.12 0.00 0.00 29.99 30.32 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 -2.82 0.87 -4.08 1.57 6.02 -1.26 -0.99 117.38 116.69 1rg1 n GLN 291 Ca -0.02 -2.72 -0.29 0.00 -0.01 0.00 0.00 57.00 53.96 1rg1 n GLN 291 Cb 0.08 -0.89 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.78 2.79 -0.30 -1.09 1.02 -1.26 -3.65 119.74 115.46 1rg1 s LYS 292 Ca 0.36 -0.81 -0.25 0.00 0.02 0.00 0.00 55.97 55.29 1rg1 s LYS 292 Cb 0.38 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1rg1 s LYS 292 CO -0.11 0.53 0.88 0.99 -0.92 0.00 0.00 175.35 176.71 1rg1 s THR 293 N -1.52 4.71 0.09 2.17 2.01 -0.12 -4.79 115.64 118.18 1rg1 s THR 293 Ca 0.29 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.73 1rg1 s THR 293 Cb -0.11 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1rg1 s THR 293 CO 0.22 -0.31 -0.11 -1.10 -0.69 0.00 0.00 174.62 172.63 1rg1 s GLN 294 N 3.16 0.85 0.08 4.92 -1.52 -1.26 -0.90 119.66 124.98 1rg1 s GLN 294 Ca 0.37 -1.10 0.07 0.00 -1.95 0.00 0.00 55.36 52.75 1rg1 s GLN 294 Cb -0.14 -0.64 -0.04 0.00 -0.22 0.00 0.00 33.01 31.98 1rg1 s GLN 294 CO 0.13 0.12 -0.14 0.20 -0.25 0.00 0.00 175.29 175.35 1rg1 s GLY 295 N -2.23 1.71 -0.02 3.09 0.00 -1.26 -2.11 107.32 106.50 1rg1 s GLY 295 Ca 0.03 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1rg1 s GLY 295 CO 0.01 -1.17 -0.04 -0.42 0.00 0.00 0.00 173.10 171.48 1rg1 s ILE 296 N -1.10 0.40 -0.16 0.90 1.01 0.12 -1.92 121.20 120.45 1rg1 s ILE 296 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1rg1 s ILE 296 Cb -0.11 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1rg1 s ILE 296 CO 0.10 0.15 -0.10 0.86 0.00 0.00 0.00 174.94 175.95 1rg1 s TRP 297 N 0.40 2.86 -0.30 3.97 -0.00 0.59 -0.20 118.94 126.27 1rg1 s TRP 297 Ca -0.05 -0.78 -0.09 0.00 -0.00 0.00 0.00 56.10 55.19 1rg1 s TRP 297 Cb -0.08 -1.93 -0.01 0.00 -0.00 0.00 0.00 33.47 31.45 1rg1 s TRP 297 CO -0.00 -0.34 0.13 -0.51 -0.00 0.00 0.00 176.95 176.22 1rg1 s LEU 298 N 0.74 3.94 1.02 5.86 1.43 -0.88 -1.90 118.68 128.88 1rg1 s LEU 298 Ca -0.05 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1rg1 s LEU 298 Cb -0.15 -1.97 0.20 0.00 0.03 0.00 0.00 46.19 44.30 1rg1 s LEU 298 CO 0.02 -0.16 1.08 -0.94 0.23 0.00 0.00 176.35 176.58 1rg1 s SER 299 N 1.60 2.19 1.00 2.29 1.04 -0.19 -4.83 113.70 116.80 1rg1 s SER 299 Ca 0.05 1.78 -0.13 0.00 0.48 0.00 0.00 55.95 58.13 1rg1 s SER 299 Cb -0.17 -2.39 0.19 0.00 0.10 0.00 0.00 66.02 63.75 1rg1 s SER 299 CO 0.05 -3.49 1.10 -2.16 0.98 0.00 0.00 173.24 169.73 1rg1 s PRO 300 N -4.62 0.43 -0.33 4.02 0.04 -1.26 -4.75 135.00 128.53 1rg1 s PRO 300 Ca 0.67 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 1rg1 s PRO 300 Cb -0.23 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1rg1 s PRO 300 CO 0.61 -2.71 1.52 -1.17 0.04 0.00 0.00 177.00 175.29 1rg1 s LEU 301 N -6.42 3.70 -0.31 -3.56 2.96 -1.26 -4.62 118.68 109.17 1rg1 s LEU 301 Ca 0.65 1.20 -0.23 0.00 -0.22 0.00 0.00 54.13 55.53 1rg1 s LEU 301 Cb -0.18 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1rg1 s LEU 301 CO 0.57 -1.38 0.79 -0.31 -1.32 0.00 0.00 176.35 174.70 1rg1 s TYR 302 N 5.47 3.19 0.72 5.38 2.02 0.32 -4.87 117.35 129.57 1rg1 s TYR 302 Ca 0.67 0.79 -0.13 0.00 -0.37 0.00 0.00 57.07 58.03 1rg1 s TYR 302 Cb -0.19 -3.24 0.03 0.00 -0.40 0.00 0.00 41.96 38.16 1rg1 s TYR 302 CO 0.30 -0.58 1.10 -1.25 -1.57 0.00 0.00 175.55 173.55 1rg1 s PRO 303 N 2.97 2.55 0.35 -1.71 0.04 -1.26 -1.05 135.00 136.89 1rg1 s PRO 303 Ca 0.32 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 1rg1 s PRO 303 Cb -0.14 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1rg1 s PRO 303 CO 0.13 -1.43 1.12 1.03 0.04 0.00 0.00 177.00 177.89 1rg1 s ARG 304 N -4.55 4.31 -0.07 4.56 0.52 -1.26 -0.68 118.95 121.78 1rg1 s ARG 304 Ca 0.63 1.75 -0.30 0.00 -0.52 0.00 0.00 55.73 57.30 1rg1 s ARG 304 Cb -0.18 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1rg1 s ARG 304 CO 0.49 -0.07 1.27 0.42 0.02 0.00 0.00 175.30 177.43 1rg1 s ILE 305 N -1.38 4.14 -0.63 1.52 1.01 -0.25 -4.76 121.20 120.85 1rg1 s ILE 305 Ca 0.52 1.45 -0.38 0.00 0.00 0.00 0.00 60.65 62.24 1rg1 s ILE 305 Cb -0.29 -3.93 -0.19 0.00 0.01 0.00 0.00 42.46 38.05 1rg1 s ILE 305 CO 0.37 -0.04 2.22 0.00 0.00 0.00 0.00 174.94 177.49 1rg1 n ALA 306 N 5.66 0.23 0.00 9.38 0.00 -1.26 -4.60 120.51 129.92 1rg1 n ALA 306 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1rg1 n ALA 306 Cb 0.45 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1rg1 n ALA 306 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rg1 n ASP 307 N 8.07 0.00 -0.24 0.00 8.00 -1.26 0.35 116.55 131.47 1rg1 n ASP 307 Ca 0.56 0.00 0.06 0.00 0.71 0.00 0.00 54.79 56.12 1rg1 n ASP 307 Cb -0.02 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.17 1rg1 n ASP 307 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rg1 n GLY 308 N -0.04 3.34 3.19 0.44 0.00 -1.26 -5.08 105.19 105.78 1rg1 n GLY 308 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.87 1.05 -0.45 2.61 -1.32 0.16 -5.12 115.64 110.70 1rg1 s THR 309 Ca 0.21 -1.61 -0.13 0.00 -1.21 0.00 0.00 61.69 58.95 1rg1 s THR 309 Cb 0.19 -1.36 0.08 0.00 -1.51 0.00 0.00 72.50 69.90 1rg1 s THR 309 CO 0.02 -0.48 0.34 -1.00 -2.21 0.00 0.00 174.62 171.29 1rg1 s HIS 310 N -2.22 3.29 -0.00 9.09 4.02 -1.26 -4.88 115.29 123.33 1rg1 s HIS 310 Ca 0.05 -1.23 -0.21 0.00 1.02 0.00 0.00 55.06 54.69 1rg1 s HIS 310 Cb -0.04 -3.13 0.04 0.00 -1.02 0.00 0.00 32.58 28.43 1rg1 s HIS 310 CO 0.01 -0.84 0.47 -1.59 1.02 0.00 0.00 174.74 173.81 1rg1 s LYS 311 N 1.54 0.89 0.25 1.40 -2.85 -1.26 -5.04 119.74 114.66 1rg1 s LYS 311 Ca 0.04 -0.11 0.06 0.00 -1.00 0.00 0.00 55.97 54.96 1rg1 s LYS 311 Cb -0.24 0.41 0.28 0.00 -2.06 0.00 0.00 37.83 36.21 1rg1 s LYS 311 CO 0.04 -0.28 1.57 0.66 0.10 0.00 0.00 175.35 177.44 1rg1 h SER 312 N 3.27 0.18 -0.60 0.03 4.64 -1.97 -3.47 113.55 115.62 1rg1 h SER 312 Ca -0.29 -0.11 -0.26 0.00 -0.47 0.00 0.00 61.79 60.66 1rg1 h SER 312 Cb 1.18 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 63.11 1rg1 h SER 312 CO 0.41 0.75 -0.23 0.61 -0.87 0.00 0.00 176.83 177.49 1rg1 n GLY 313 N 0.27 1.34 3.89 -0.77 0.00 -1.26 -4.88 105.19 103.78 1rg1 n GLY 313 Ca -0.02 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.03 3.72 0.26 1.61 2.56 -1.26 0.30 118.70 122.86 1rg1 s GLU 314 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 54.97 55.22 1rg1 s GLU 314 Cb 0.00 -2.59 -0.03 0.00 2.00 0.00 0.00 34.13 33.51 1rg1 s GLU 314 CO 0.00 0.20 0.34 -1.54 -0.56 0.00 0.00 175.26 173.70 1rg1 s SER 315 N -2.90 6.02 0.60 -1.70 1.04 -1.26 -4.08 113.70 111.43 1rg1 s SER 315 Ca 0.47 -0.08 0.29 0.00 0.48 0.00 0.00 55.95 57.10 1rg1 s SER 315 Cb -0.11 -1.60 1.52 0.00 0.10 0.00 0.00 66.02 65.93 1rg1 s SER 315 CO 0.27 -0.14 1.93 1.55 0.98 0.00 0.00 173.24 177.83 1rg1 h PRO 316 N 1.20 0.00 -0.03 4.02 0.13 -1.81 0.12 132.00 135.63 1rg1 h PRO 316 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1rg1 h PRO 316 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1rg1 h PRO 316 CO 0.59 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.61 1rg1 n THR 317 N -3.65 0.02 -2.12 1.56 -2.24 -1.26 -4.93 114.28 101.66 1rg1 n THR 317 Ca 0.06 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1rg1 n THR 317 Cb 0.58 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.01 -0.64 -0.22 4.78 8.25 0.43 -4.77 115.22 123.06 1rg1 n HIS 318 Ca 0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.64 1rg1 n HIS 318 Cb 0.31 -3.67 0.10 0.00 1.12 0.00 0.00 29.99 27.85 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 0.61 0.34 4.41 3.57 -1.84 -0.77 116.94 123.26 1rg1 h PHE 319 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1rg1 h PHE 319 Cb 1.33 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1rg1 h PHE 319 CO 0.54 0.27 -0.16 -0.22 -2.23 0.00 0.00 178.31 176.51 1rg1 h LYS 320 N 0.61 -0.44 -0.69 1.11 3.64 -1.90 0.13 116.57 119.03 1rg1 h LYS 320 Ca 0.29 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1rg1 h LYS 320 Cb 0.22 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1rg1 h LYS 320 CO -0.20 -0.28 0.20 0.00 -2.27 0.00 0.00 179.45 176.90 1rg1 h ALA 321 N 0.18 1.05 -0.57 5.00 0.00 -1.95 -1.90 119.26 121.07 1rg1 h ALA 321 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1rg1 h ALA 321 Cb 0.37 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1rg1 h ALA 321 CO 0.08 0.64 0.33 -0.91 0.00 0.00 0.00 179.25 179.38 1rg1 h ASN 322 N 1.03 0.70 -0.67 0.00 -0.26 -0.93 -0.11 115.58 115.33 1rg1 h ASN 322 Ca 0.22 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.82 1rg1 h ASN 322 Cb 0.31 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1rg1 h ASN 322 CO -0.01 0.57 0.15 0.25 -1.06 0.00 0.00 177.43 177.33 1rg1 h LEU 323 N 0.76 1.03 -0.74 1.61 5.85 -0.64 -0.89 115.31 122.30 1rg1 h LEU 323 Ca 0.20 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1rg1 h LEU 323 Cb 0.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1rg1 h LEU 323 CO -0.03 1.01 0.22 0.40 -0.34 0.00 0.00 178.44 179.69 1rg1 h ILE 324 N 1.01 1.26 -0.64 4.05 2.04 -1.16 -0.56 117.51 123.52 1rg1 h ILE 324 Ca 0.21 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 1rg1 h ILE 324 Cb 0.39 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1rg1 h ILE 324 CO 0.01 0.36 0.12 0.28 0.00 0.00 0.00 178.15 178.92 1rg1 h SER 325 N 1.11 1.00 -0.31 1.72 0.02 -0.83 0.14 113.55 116.39 1rg1 h SER 325 Ca 0.24 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1rg1 h SER 325 Cb 0.33 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1rg1 h SER 325 CO -0.01 1.00 0.13 0.22 -1.14 0.00 0.00 176.83 177.03 1rg1 h TYR 326 N 0.96 0.24 -0.10 3.45 3.20 -0.74 -2.33 116.97 121.66 1rg1 h TYR 326 Ca 0.20 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1rg1 h TYR 326 Cb 0.42 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1rg1 h TYR 326 CO 0.03 0.12 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.11 1rg1 h LEU 327 N 0.28 0.28 -1.69 2.82 3.38 -0.78 -2.98 115.31 116.61 1rg1 h LEU 327 Ca 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rg1 h LEU 327 Cb 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1rg1 h LEU 327 CO -0.12 0.73 0.05 0.74 0.09 0.00 0.00 178.44 179.93 1rg1 h THR 328 N 0.20 1.09 0.00 0.22 2.02 -0.21 -2.53 112.91 113.70 1rg1 h THR 328 Ca 0.01 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1rg1 h THR 328 Cb 0.94 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1rg1 h THR 328 CO 0.08 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.07 1rg1 h ALA 329 N 1.81 1.00 0.00 6.16 0.00 -1.28 -1.78 119.26 125.17 1rg1 h ALA 329 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1rg1 h ALA 329 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rg1 h ALA 329 CO -0.00 0.00 -0.22 1.88 0.00 0.00 0.00 179.25 180.91 1rg1 h TYR 330 N 0.00 0.00 -6.33 0.00 -1.99 -1.60 -3.47 116.97 103.58 1rg1 h TYR 330 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 1rg1 h TYR 330 Cb 0.44 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 1rg1 h TYR 330 CO 0.00 0.22 -0.83 -1.71 -0.00 0.00 0.00 178.16 175.84 1rg1 n ASN 331 N -3.55 -2.16 -4.24 3.88 5.15 -0.67 -4.69 115.26 108.97 1rg1 n ASN 331 Ca -0.01 -0.88 -0.32 0.00 -0.60 0.00 0.00 54.58 52.77 1rg1 n ASN 331 Cb 0.37 -3.59 -0.16 0.00 -0.53 0.00 0.00 39.78 35.87 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 -3.61 2.30 0.23 5.20 0.00 -1.26 -5.03 121.76 119.59 1rg1 s ALA 332 Ca 0.27 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1rg1 s ALA 332 Cb -0.14 -0.96 0.34 0.00 0.00 0.00 0.00 23.12 22.36 1rg1 s ALA 332 CO 0.85 0.19 1.82 -1.35 0.00 0.00 0.00 175.76 177.28 1rg1 h PRO 333 N 6.88 0.79 0.00 0.00 0.11 -2.00 -1.18 132.00 136.59 1rg1 h PRO 333 Ca -0.24 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1rg1 h PRO 333 Cb 1.22 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1rg1 h PRO 333 CO 0.51 0.52 -0.12 0.66 -0.21 0.00 0.00 178.00 179.36 1rg1 h SER 334 N 0.81 0.00 0.84 -2.05 4.64 -1.96 -2.79 113.55 113.03 1rg1 h SER 334 Ca 0.36 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.45 1rg1 h SER 334 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1rg1 h SER 334 CO -0.21 0.12 -1.20 -0.07 -0.87 0.00 0.00 176.83 174.60 1rg1 h LEU 335 N 0.00 0.03 -0.77 5.97 3.38 -1.62 -3.29 115.31 119.02 1rg1 h LEU 335 Ca -0.00 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1rg1 h LEU 335 Cb 0.31 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 1rg1 h LEU 335 CO 0.02 1.03 0.30 0.50 0.09 0.00 0.00 178.44 180.38 1rg1 h LYS 336 N 0.01 0.41 -0.88 1.13 1.63 -1.19 0.60 116.57 118.28 1rg1 h LYS 336 Ca -0.09 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.77 1rg1 h LYS 336 Cb 1.85 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 33.32 1rg1 h LYS 336 CO 0.12 0.27 0.57 0.93 -3.45 0.00 0.00 179.45 177.89 1rg1 h GLU 337 N 0.42 0.88 -0.01 1.90 4.39 -1.63 0.12 114.58 120.66 1rg1 h GLU 337 Ca 0.43 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.91 1rg1 h GLU 337 Cb 0.69 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1rg1 h GLU 337 CO -0.43 0.58 -0.78 -1.49 -1.16 0.00 0.00 179.01 175.73 1rg1 h TRP 338 N 0.91 0.15 -0.18 4.33 4.06 -0.11 -2.10 115.95 123.01 1rg1 h TRP 338 Ca 0.40 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 61.27 1rg1 h TRP 338 Cb 0.35 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1rg1 h TRP 338 CO -0.00 0.84 0.09 0.82 -3.56 0.00 0.00 178.44 176.63 1rg1 h ILE 339 N 0.06 1.12 -0.88 1.49 2.04 0.62 -0.81 117.51 121.14 1rg1 h ILE 339 Ca -0.02 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.58 1rg1 h ILE 339 Cb 1.38 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1rg1 h ILE 339 CO 0.11 0.11 0.55 0.44 0.00 0.00 0.00 178.15 179.36 1rg1 h ASP 340 N 0.18 0.85 -0.29 1.72 3.45 -0.77 0.21 116.42 121.78 1rg1 h ASP 340 Ca 0.06 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1rg1 h ASP 340 Cb 0.10 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1rg1 h ASP 340 CO -0.01 0.53 0.18 0.58 -1.57 0.00 0.00 179.24 178.95 1rg1 h VAL 341 N 0.98 1.10 -0.72 -1.35 2.07 -1.06 -2.79 116.25 114.48 1rg1 h VAL 341 Ca 0.39 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1rg1 h VAL 341 Cb 0.21 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1rg1 h VAL 341 CO -0.19 0.09 0.30 0.40 0.02 0.00 0.00 177.57 178.20 1rg1 h ILE 342 N 0.37 1.25 -1.03 4.57 2.04 -0.60 -1.38 117.51 122.73 1rg1 h ILE 342 Ca 0.10 -0.76 0.26 0.00 1.00 0.00 0.00 64.86 65.46 1rg1 h ILE 342 Cb -0.00 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.39 1rg1 h ILE 342 CO -0.02 0.31 0.67 0.45 0.00 0.00 0.00 178.15 179.55 1rg1 h HIS 343 N 1.03 0.62 -0.01 1.37 3.86 -0.80 -0.76 115.15 120.46 1rg1 h HIS 343 Ca 0.24 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1rg1 h HIS 343 Cb 0.19 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1rg1 h HIS 343 CO 0.01 0.07 -0.07 1.63 0.86 0.00 0.00 177.93 180.44 1rg1 n LYS 344 N -4.59 1.11 -4.22 2.45 5.02 -0.53 -4.86 118.16 112.54 1rg1 n LYS 344 Ca 0.24 -0.49 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 1rg1 n LYS 344 Cb 0.86 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 1rg1 n LYS 344 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1rg1 s HIS 345 N -2.23 2.83 -0.65 2.13 3.76 -0.29 -1.09 115.29 119.75 1rg1 s HIS 345 Ca 0.35 -0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.88 1rg1 s HIS 345 Cb 0.21 -1.35 0.07 0.00 1.11 0.00 0.00 32.58 32.62 1rg1 s HIS 345 CO 0.41 0.54 0.95 0.34 -0.85 0.00 0.00 174.74 176.13 1rg1 s ASP 346 N -3.13 6.18 -0.15 1.40 -1.08 0.14 -4.68 116.67 115.35 1rg1 s ASP 346 Ca 0.28 -0.98 0.15 0.00 -0.52 0.00 0.00 52.55 51.48 1rg1 s ASP 346 Cb -0.09 -2.42 0.68 0.00 -1.46 0.00 0.00 42.92 39.64 1rg1 s ASP 346 CO 0.19 -1.42 1.56 0.18 0.52 0.00 0.00 175.17 176.20 1rg1 n LEU 347 N 7.66 4.68 0.30 -1.34 4.32 0.15 -4.11 117.00 128.66 1rg1 n LEU 347 Ca -0.04 -2.37 0.19 0.00 -0.02 0.00 0.00 56.01 53.77 1rg1 n LEU 347 Cb 0.45 -0.60 0.90 0.00 -1.62 0.00 0.00 43.42 42.55 1rg1 n LEU 347 CO 0.64 0.67 1.07 0.77 -1.22 0.00 0.00 177.39 179.31 1rg1 h SER 348 N 3.60 0.00 0.27 -1.43 4.64 -1.50 -2.45 113.55 116.68 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 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1rg1 h SER 348 CO 0.31 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.66 1rg1 n GLU 349 N -3.14 0.66 -2.03 4.77 -0.58 -1.26 -4.37 120.64 114.69 1rg1 n GLU 349 Ca -0.01 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1rg1 n GLU 349 Cb 0.21 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1rg1 n GLU 349 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1rg1 s THR 350 N -2.29 3.31 -0.59 2.62 2.01 -0.92 -4.91 115.64 114.87 1rg1 s THR 350 Ca 0.36 0.70 0.15 0.00 0.31 0.00 0.00 61.69 63.20 1rg1 s THR 350 Cb 0.20 -3.45 0.48 0.00 0.01 0.00 0.00 72.50 69.73 1rg1 s THR 350 CO 0.39 -0.01 1.40 -0.46 -0.69 0.00 0.00 174.62 175.25 1rg1 n ASN 351 N 5.70 3.69 -4.53 3.53 2.04 -1.26 -4.47 115.26 119.95 1rg1 n ASN 351 Ca 0.15 -2.56 -0.24 0.00 -0.44 0.00 0.00 54.58 51.50 1rg1 n ASN 351 Cb 0.42 -0.43 -0.09 0.00 -2.53 0.00 0.00 39.78 37.14 1rg1 n ASN 351 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1rg1 s VAL 352 N -2.01 2.85 -0.11 3.53 -7.23 -1.26 -4.71 120.40 111.46 1rg1 s VAL 352 Ca 0.36 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 1rg1 s VAL 352 Cb 0.26 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1rg1 s VAL 352 CO 0.14 -0.37 0.26 -0.31 -0.31 0.00 0.00 175.10 174.50 1rg1 s TYR 353 N -2.38 3.58 -0.01 2.82 1.51 -0.62 -4.69 117.35 117.56 1rg1 s TYR 353 Ca 0.30 0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 56.74 1rg1 s TYR 353 Cb -0.06 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1rg1 s TYR 353 CO 0.17 0.53 0.86 -1.17 -1.11 0.00 0.00 175.55 174.83 1rg1 s LEU 354 N -0.49 4.38 -0.26 -1.29 2.96 -1.26 -0.26 118.68 122.46 1rg1 s LEU 354 Ca 0.17 1.49 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1rg1 s LEU 354 Cb -0.13 -3.37 0.06 0.00 0.50 0.00 0.00 46.19 43.25 1rg1 s LEU 354 CO 0.06 -0.16 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.24 1rg1 s ILE 355 N 0.71 1.85 0.21 6.68 1.01 -0.41 -4.94 121.20 126.31 1rg1 s ILE 355 Ca 0.45 -1.51 0.08 0.00 0.00 0.00 0.00 60.65 59.67 1rg1 s ILE 355 Cb -0.20 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1rg1 s ILE 355 CO 0.24 -0.13 0.03 -0.83 0.00 0.00 0.00 174.94 174.25 1rg1 s GLY 356 N 1.23 1.67 0.09 6.18 0.00 -1.26 -1.01 107.32 114.22 1rg1 s GLY 356 Ca -0.05 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 43.32 1rg1 s GLY 356 CO -0.06 -1.47 -0.25 -0.56 0.00 0.00 0.00 173.10 170.75 1rg1 s SER 357 N -3.25 3.10 -0.03 1.64 0.01 0.64 -1.23 113.70 114.58 1rg1 s SER 357 Ca 0.29 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 56.74 1rg1 s SER 357 Cb -0.08 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.94 1rg1 s SER 357 CO 0.20 0.19 0.30 0.28 0.41 0.00 0.00 173.24 174.61 1rg1 s THR 358 N -0.98 0.05 0.29 1.44 -1.32 -1.10 -1.89 115.64 112.13 1rg1 s THR 358 Ca 0.12 -0.41 -0.30 0.00 -1.21 0.00 0.00 61.69 59.89 1rg1 s THR 358 Cb -0.10 -0.57 -0.11 0.00 -1.51 0.00 0.00 72.50 70.21 1rg1 s THR 358 CO 0.04 -0.23 1.46 -2.84 -2.21 0.00 0.00 174.62 170.85 1rg1 s PRO 359 N -1.08 4.22 0.00 7.08 0.02 -1.23 -4.64 135.00 139.38 1rg1 s PRO 359 Ca -0.11 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1rg1 s PRO 359 Cb -0.05 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1rg1 s PRO 359 CO 0.03 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1rg1 n GLY 360 N 1.78 0.77 3.03 0.52 0.00 -0.44 -4.97 105.19 105.87 1rg1 n GLY 360 Ca 0.05 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 2.18 -0.10 1.61 0.52 -1.26 -1.21 118.95 118.70 1rg1 s ARG 361 Ca 0.00 -0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1rg1 s ARG 361 Cb 0.00 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 1rg1 s ARG 361 CO 0.00 -0.44 -0.06 -0.06 0.02 0.00 0.00 175.30 174.76 1rg1 s PHE 362 N 1.31 2.97 0.12 -0.53 0.08 -0.31 -4.88 117.98 116.73 1rg1 s PHE 362 Ca -0.02 -0.10 0.09 0.00 0.12 0.00 0.00 56.93 57.01 1rg1 s PHE 362 Cb -0.17 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1rg1 s PHE 362 CO -0.08 0.20 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.43 1rg1 s GLN 363 N -0.42 1.83 3.46 0.44 -0.21 -1.26 -1.27 119.66 122.24 1rg1 s GLN 363 Ca 0.06 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1rg1 s GLN 363 Cb -0.12 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1rg1 s GLN 363 CO 0.02 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 1rg1 n GLY 364 N 0.73 2.48 0.23 3.09 0.00 -1.26 -0.92 105.19 109.54 1rg1 n GLY 364 Ca -0.15 0.37 0.07 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.00 1.07 1.61 4.64 -1.98 -2.76 113.55 116.14 1rg1 h SER 365 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rg1 h SER 365 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rg1 h SER 365 CO 0.00 0.21 0.00 1.56 -0.87 0.00 0.00 176.83 177.73 1rg1 h GLN 366 N 0.00 0.00 -0.69 4.77 4.20 -1.39 -3.16 115.11 118.83 1rg1 h GLN 366 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.76 1rg1 h GLN 366 Cb 0.43 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 1rg1 h GLN 366 CO 0.03 0.00 0.40 0.87 -0.67 0.00 0.00 178.83 179.45 1rg1 h LYS 367 N 0.00 0.71 0.00 1.46 1.57 -1.57 -2.74 116.57 116.00 1rg1 h LYS 367 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1rg1 h LYS 367 Cb 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1rg1 h LYS 367 CO 0.00 0.47 0.00 -0.25 -0.57 0.00 0.00 179.45 179.10 1rg1 n ASP 368 N -4.76 0.00 0.09 0.86 8.00 -1.19 -3.51 116.55 116.05 1rg1 n ASP 368 Ca 0.09 0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.65 1rg1 n ASP 368 Cb 0.16 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.00 0.00 -5.07 -2.24 -0.26 -1.68 -3.27 115.58 103.05 1rg1 h ASN 369 Ca 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.59 1rg1 h ASN 369 Cb 0.17 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 37.25 1rg1 h ASN 369 CO 0.00 0.74 -0.64 0.26 -1.06 0.00 0.00 177.43 176.73 1rg1 s TRP 370 N -2.84 0.30 0.00 1.19 0.52 -1.23 -4.69 118.94 112.20 1rg1 s TRP 370 Ca 0.02 -0.64 0.00 0.00 0.02 0.00 0.00 56.10 55.50 1rg1 s TRP 370 Cb 0.09 -0.22 0.00 0.00 -1.15 0.00 0.00 33.47 32.18 1rg1 s TRP 370 CO 0.78 -0.29 0.00 0.41 0.02 0.00 0.00 176.95 177.88 1rg1 n GLY 371 N 1.00 1.25 0.19 0.98 0.00 -0.37 -2.53 105.19 105.72 1rg1 n GLY 371 Ca -0.20 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.05 1.61 2.07 -1.44 -2.28 115.15 115.07 1rg1 h HIS 372 Ca 0.00 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.30 1rg1 h HIS 372 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1rg1 h HIS 372 CO 0.00 0.00 -0.86 0.74 -3.07 0.00 0.00 177.93 174.74 1rg1 h PHE 373 N 0.00 0.71 -0.44 6.12 -1.00 -1.79 -1.03 116.94 119.50 1rg1 h PHE 373 Ca 0.00 -0.35 0.04 0.00 2.81 0.00 0.00 57.97 60.47 1rg1 h PHE 373 Cb 0.53 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 1rg1 h PHE 373 CO 0.00 1.15 0.21 -0.09 -1.61 0.00 0.00 178.31 177.98 1rg1 h ARG 374 N 0.31 0.42 -0.34 1.51 9.65 -1.12 0.65 114.38 125.45 1rg1 h ARG 374 Ca -0.06 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1rg1 h ARG 374 Cb 1.48 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.95 1rg1 h ARG 374 CO 0.16 0.27 0.22 1.25 2.80 0.00 0.00 179.97 184.67 1rg1 h LEU 375 N 0.43 0.38 -0.57 3.80 5.85 -1.32 -1.28 115.31 122.60 1rg1 h LEU 375 Ca 0.19 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1rg1 h LEU 375 Cb 0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1rg1 h LEU 375 CO -0.14 0.27 0.29 0.50 -0.34 0.00 0.00 178.44 179.02 1rg1 h LYS 376 N 0.45 0.53 -0.28 1.25 3.64 -0.83 -0.08 116.57 121.25 1rg1 h LYS 376 Ca 0.13 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1rg1 h LYS 376 Cb -0.04 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1rg1 h LYS 376 CO -0.03 0.35 0.17 -0.22 -2.27 0.00 0.00 179.45 177.45 1rg1 h LYS 377 N 0.55 0.39 -0.35 1.90 1.63 -0.57 -1.06 116.57 119.05 1rg1 h LYS 377 Ca 0.25 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.93 1rg1 h LYS 377 Cb 0.17 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1rg1 h LYS 377 CO -0.18 0.30 -0.16 -0.07 -3.45 0.00 0.00 179.45 175.89 1rg1 h LEU 378 N 0.36 0.64 -0.64 5.20 3.38 -0.74 -2.19 115.31 121.32 1rg1 h LEU 378 Ca 0.10 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1rg1 h LEU 378 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1rg1 h LEU 378 CO -0.02 0.82 -0.46 -0.07 0.09 0.00 0.00 178.44 178.80 1rg1 h LEU 379 N 0.58 0.56 0.11 1.67 3.38 -0.82 -1.19 115.31 119.61 1rg1 h LEU 379 Ca 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1rg1 h LEU 379 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1rg1 h LEU 379 CO 0.04 0.94 -0.11 0.50 0.09 0.00 0.00 178.44 179.90 1rg1 h LYS 380 N 0.42 -0.24 0.00 1.13 3.64 -1.04 -2.18 116.57 118.30 1rg1 h LYS 380 Ca 0.03 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1rg1 h LYS 380 Cb 0.97 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1rg1 h LYS 380 CO 0.09 -0.16 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.30 1rg1 h ASP 381 N -0.25 0.00 0.00 4.20 3.32 -1.25 -3.29 116.42 119.15 1rg1 h ASP 381 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1rg1 h ASP 381 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1rg1 h ASP 381 CO -0.03 0.24 0.00 1.41 -1.72 0.00 0.00 179.24 179.14 1rg1 n HIS 382 N -3.11 0.00 -3.86 4.55 8.25 -0.46 -5.02 115.22 115.56 1rg1 n HIS 382 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.22 1rg1 n HIS 382 Cb 0.64 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.11 4.48 0.13 -1.41 0.00 -1.06 -4.52 121.76 119.27 1rg1 s ALA 383 Ca 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1rg1 s ALA 383 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1rg1 s ALA 383 CO 0.00 -0.48 0.12 -1.54 0.00 0.00 0.00 175.76 173.87 1rg1 s SER 384 N -4.31 0.23 0.97 0.00 1.04 -1.26 -3.75 113.70 106.62 1rg1 s SER 384 Ca 0.34 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.57 1rg1 s SER 384 Cb -0.02 0.33 0.21 0.00 0.10 0.00 0.00 66.02 66.64 1rg1 s SER 384 CO 0.21 -0.77 1.25 -0.24 0.98 0.00 0.00 173.24 174.68 1rg1 n SER 385 N -0.11 0.24 0.00 7.02 2.88 -1.25 -4.69 113.62 117.70 1rg1 n SER 385 Ca -0.07 -1.54 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1rg1 n SER 385 Cb 0.63 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1rg1 n SER 385 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1rg1 n MET 386 N -3.62 0.00 -0.87 -1.46 0.00 -1.26 -5.08 117.12 104.82 1rg1 n MET 386 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1rg1 n MET 386 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.78 1rg1 n MET 386 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1rg1 n SER 391 N -1.92 -3.80 -4.63 3.17 3.41 -1.26 -5.27 113.62 103.32 1rg1 n SER 391 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1rg1 n SER 391 Cb 0.00 -2.72 -0.02 0.00 -0.26 0.00 0.00 64.21 61.21 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 -1.27 3.14 1.04 7.33 0.52 -1.26 -4.19 118.94 124.25 1rg1 s TRP 392 Ca 0.00 1.12 -0.13 0.00 0.02 0.00 0.00 56.10 57.12 1rg1 s TRP 392 Cb 0.00 -3.69 0.21 0.00 -1.15 0.00 0.00 33.47 28.85 1rg1 s TRP 392 CO 0.00 -0.78 1.08 -2.14 0.02 0.00 0.00 176.95 175.13 1rg1 s PRO 393 N 3.63 0.05 -0.03 4.98 0.02 -1.19 -4.77 135.00 137.70 1rg1 s PRO 393 Ca 0.44 0.55 0.04 0.00 0.02 0.00 0.00 61.00 62.05 1rg1 s PRO 393 Cb -0.12 -1.69 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 1rg1 s PRO 393 CO 0.16 -2.99 -0.14 0.08 -0.33 0.00 0.00 177.00 173.78 1rg1 s VAL 394 N -2.86 3.12 -0.09 3.83 1.01 -0.75 -3.40 120.40 121.26 1rg1 s VAL 394 Ca 0.66 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1rg1 s VAL 394 Cb -0.20 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1rg1 s VAL 394 CO 0.59 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 175.33 1rg1 s VAL 395 N -0.81 1.68 -0.03 2.92 1.01 -0.31 -1.31 120.40 123.54 1rg1 s VAL 395 Ca 0.13 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1rg1 s VAL 395 Cb -0.11 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1rg1 s VAL 395 CO 0.02 0.48 -0.24 -0.83 0.00 0.00 0.00 175.10 174.53 1rg1 s GLY 396 N 0.51 1.20 -0.06 4.51 0.00 0.53 -1.54 107.32 112.46 1rg1 s GLY 396 Ca -0.16 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1rg1 s GLY 396 CO 0.06 -0.74 0.12 1.62 0.00 0.00 0.00 173.10 174.16 1rg1 s GLN 397 N -0.37 0.03 0.25 2.90 -0.44 0.34 -0.59 119.66 121.79 1rg1 s GLN 397 Ca 0.04 0.40 -0.21 0.00 -2.50 0.00 0.00 55.36 53.09 1rg1 s GLN 397 Cb -0.11 -0.26 0.05 0.00 -1.64 0.00 0.00 33.01 31.05 1rg1 s GLN 397 CO 0.01 -0.23 0.84 -0.59 0.50 0.00 0.00 175.29 175.83 1rg1 s PHE 398 N 1.61 -0.08 0.00 1.67 -0.71 -1.18 -1.05 117.98 118.25 1rg1 s PHE 398 Ca -0.04 -0.38 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1rg1 s PHE 398 Cb -0.12 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 1rg1 s PHE 398 CO -0.05 -1.15 0.10 -1.13 -1.34 0.00 0.00 175.22 171.65 1rg1 n SER 399 N -0.75 0.20 -4.04 1.98 3.41 -1.26 -4.66 113.62 108.49 1rg1 n SER 399 Ca -0.05 -0.54 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 1rg1 n SER 399 Cb 0.60 0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 64.97 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 -0.56 0.98 -0.15 4.04 0.15 -1.26 -3.76 113.70 113.14 1rg1 s SER 400 Ca 0.00 -0.35 -0.00 0.00 0.70 0.00 0.00 55.95 56.29 1rg1 s SER 400 Cb 0.00 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1rg1 s SER 400 CO 0.00 -0.04 -0.08 -0.69 1.20 0.00 0.00 173.24 173.63 1rg1 s VAL 401 N -0.77 1.22 0.89 4.45 1.01 -1.26 -2.00 120.40 123.93 1rg1 s VAL 401 Ca -0.03 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1rg1 s VAL 401 Cb -0.06 -1.31 0.21 0.00 0.00 0.00 0.00 36.38 35.22 1rg1 s VAL 401 CO 0.00 0.24 1.12 0.61 0.00 0.00 0.00 175.10 177.07 1rg1 n GLY 402 N 4.85 -1.68 3.55 4.51 0.00 0.13 -4.85 105.19 111.72 1rg1 n GLY 402 Ca -0.13 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1rg1 n GLY 402 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rg1 s SER 403 N -5.03 6.46 0.00 1.61 0.15 -1.26 -4.92 113.70 110.70 1rg1 s SER 403 Ca 0.65 0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.56 1rg1 s SER 403 Cb -0.02 -2.43 0.45 0.00 -1.71 0.00 0.00 66.02 62.31 1rg1 s SER 403 CO 0.46 -1.03 1.37 0.18 1.20 0.00 0.00 173.24 175.42 1rg1 n LEU 404 N 7.07 1.14 0.00 3.45 4.77 -1.26 -4.77 117.00 127.40 1rg1 n LEU 404 Ca 0.05 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1rg1 n LEU 404 Cb 0.48 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1rg1 n LEU 404 CO 0.63 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1rg1 n GLY 405 N 1.40 2.19 0.10 -0.72 0.00 -1.26 -4.18 105.19 102.71 1rg1 n GLY 405 Ca 0.09 -2.11 0.10 0.00 0.00 0.00 0.00 46.02 44.10 1rg1 n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg1 n ALA 406 N -0.18 1.58 -3.74 4.61 0.00 -1.26 -4.72 120.51 116.80 1rg1 n ALA 406 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 1rg1 n ALA 406 Cb 0.00 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 1rg1 n ALA 406 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rg1 s ASP 407 N -3.88 -0.09 0.61 0.00 -4.77 -1.26 -4.95 116.67 102.32 1rg1 s ASP 407 Ca 0.04 -0.33 0.40 0.00 -3.30 0.00 0.00 52.55 49.37 1rg1 s ASP 407 Cb 0.09 0.34 2.11 0.00 -1.09 0.00 0.00 42.92 44.37 1rg1 s ASP 407 CO 0.33 -0.64 2.23 1.05 0.70 0.00 0.00 175.17 178.83 1rg1 h GLU 408 N 2.00 0.00 -0.00 2.11 4.11 -1.92 -2.38 114.58 118.50 1rg1 h GLU 408 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1rg1 h GLU 408 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1rg1 h GLU 408 CO 0.28 0.00 -0.28 -1.13 0.07 0.00 0.00 179.01 177.96 1rg1 n SER 409 N -2.98 0.43 0.10 3.06 3.41 -1.26 -0.18 113.62 116.19 1rg1 n SER 409 Ca -0.02 -0.19 -0.04 0.00 -0.26 0.00 0.00 58.87 58.35 1rg1 n SER 409 Cb 0.11 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.24 0.03 0.00 4.33 1.79 -1.72 -3.42 116.57 117.82 1rg1 h LYS 410 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1rg1 h LYS 410 Cb 0.47 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1rg1 h LYS 410 CO 0.00 0.80 0.00 1.87 -1.08 0.00 0.00 179.45 181.04 1rg1 n TRP 411 N -3.62 -1.68 0.25 -1.35 -0.00 -1.24 -4.86 117.44 104.95 1rg1 n TRP 411 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.33 1rg1 n TRP 411 Cb 0.76 0.34 -0.08 0.00 -0.00 0.00 0.00 31.31 32.32 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 -0.50 0.00 5.87 5.85 -1.76 -1.69 115.31 123.08 1rg1 h LEU 412 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1rg1 h LEU 412 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1rg1 h LEU 412 CO 0.00 -0.34 -0.67 0.00 -0.34 0.00 0.00 178.44 177.09 1rg1 n SER 414 N -1.71 0.00 -0.09 0.00 3.41 -1.18 -4.42 113.62 109.62 1rg1 n SER 414 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1rg1 n SER 414 Cb 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.88 0.60 4.33 4.11 -1.81 -2.77 114.58 119.93 1rg1 h GLU 415 Ca 0.00 -0.52 -0.03 0.00 0.07 0.00 0.00 59.36 58.88 1rg1 h GLU 415 Cb 0.00 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1rg1 h GLU 415 CO 0.00 1.16 -0.29 0.35 0.07 0.00 0.00 179.01 180.30 1rg1 h PHE 416 N 0.68 -0.75 -0.23 2.06 3.57 -1.46 -2.41 116.94 118.40 1rg1 h PHE 416 Ca 0.03 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1rg1 h PHE 416 Cb 1.07 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1rg1 h PHE 416 CO 0.07 -0.47 0.17 -0.22 -2.23 0.00 0.00 178.31 175.63 1rg1 h LYS 417 N -1.10 0.00 -0.50 1.11 3.64 -1.26 -2.22 116.57 116.24 1rg1 h LYS 417 Ca -0.08 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1rg1 h LYS 417 Cb 0.62 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1rg1 h LYS 417 CO 0.14 0.00 0.14 0.93 -2.27 0.00 0.00 179.45 178.38 1rg1 h GLU 418 N 0.00 0.78 -0.42 1.90 4.39 -1.40 0.75 114.58 120.59 1rg1 h GLU 418 Ca 0.11 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1rg1 h GLU 418 Cb 0.44 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1rg1 h GLU 418 CO -0.00 0.75 0.26 0.77 -1.16 0.00 0.00 179.01 179.63 1rg1 h SER 419 N 0.68 0.49 0.41 1.42 0.02 -0.90 -3.02 113.55 112.66 1rg1 h SER 419 Ca 0.16 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1rg1 h SER 419 Cb 0.30 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1rg1 h SER 419 CO -0.00 0.39 -0.35 0.24 -1.14 0.00 0.00 176.83 175.97 1rg1 h MET 420 N 0.56 0.00 -0.00 3.45 2.86 -0.81 -2.91 114.93 118.07 1rg1 h MET 420 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1rg1 h MET 420 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1rg1 h MET 420 CO -0.03 0.35 -0.48 1.47 1.06 0.00 0.00 176.91 179.28 1rg1 n LEU 421 N -4.01 0.60 -4.66 1.22 -0.00 0.19 -4.92 117.00 105.41 1rg1 n LEU 421 Ca -0.02 -0.06 -0.45 0.00 -0.00 0.00 0.00 56.01 55.49 1rg1 n LEU 421 Cb 0.40 -0.22 -0.02 0.00 -0.00 0.00 0.00 43.42 43.58 1rg1 n LEU 421 CO 0.38 0.14 0.91 0.41 -0.00 0.00 0.00 177.39 179.23 1rg1 n THR 422 N -1.37 1.33 -3.19 1.47 -1.04 -1.10 -4.99 114.28 105.39 1rg1 n THR 422 Ca 0.06 -0.33 0.01 0.00 -2.04 0.00 0.00 64.05 61.75 1rg1 n THR 422 Cb 0.34 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.44 1rg1 n THR 422 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rg1 s LEU 423 N -0.09 -1.36 0.00 -4.42 1.43 -1.26 -4.71 118.68 108.27 1rg1 s LEU 423 Ca 0.64 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1rg1 s LEU 423 Cb -0.65 1.87 0.00 0.00 0.03 0.00 0.00 46.19 47.44 1rg1 s LEU 423 CO 0.54 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1rg1 n GLY 424 N 5.41 2.35 0.00 -3.19 0.00 -0.84 -3.95 105.19 104.96 1rg1 n GLY 424 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.27 1.61 0.31 -1.26 -4.59 118.33 112.13 1rg1 n VAL 435 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1rg1 n VAL 435 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.99 4.38 -0.25 5.55 0.02 -1.26 -4.90 135.00 137.55 1rg1 s PRO 436 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1rg1 s PRO 436 Cb 0.00 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.53 1rg1 s PRO 436 CO 0.00 -0.09 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.33 1rg1 s LEU 437 N -1.83 3.27 -0.31 -5.54 2.96 -1.26 -1.82 118.68 114.15 1rg1 s LEU 437 Ca 0.49 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.20 1rg1 s LEU 437 Cb -0.35 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1rg1 s LEU 437 CO 0.46 -0.16 0.22 -0.31 -1.32 0.00 0.00 176.35 175.25 1rg1 s TYR 438 N 1.24 3.22 -0.20 5.38 1.51 -0.43 -4.92 117.35 123.15 1rg1 s TYR 438 Ca -0.03 -0.03 -0.05 0.00 -1.01 0.00 0.00 57.07 55.95 1rg1 s TYR 438 Cb -0.18 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1rg1 s TYR 438 CO -0.05 -0.26 0.00 -0.51 -1.11 0.00 0.00 175.55 173.62 1rg1 s LEU 439 N 1.75 3.29 -0.30 -1.29 1.43 -0.95 -0.35 118.68 122.28 1rg1 s LEU 439 Ca 0.07 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1rg1 s LEU 439 Cb -0.17 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1rg1 s LEU 439 CO 0.11 0.07 0.13 -0.63 0.23 0.00 0.00 176.35 176.26 1rg1 s ILE 440 N 0.95 4.50 -0.11 -0.59 1.01 0.25 0.44 121.20 127.65 1rg1 s ILE 440 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1rg1 s ILE 440 Cb -0.14 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.12 1rg1 s ILE 440 CO 0.02 0.13 0.25 -0.47 0.00 0.00 0.00 174.94 174.87 1rg1 s TYR 441 N 1.61 -0.33 0.29 3.97 6.14 -0.73 -3.08 117.35 125.21 1rg1 s TYR 441 Ca 0.05 0.79 -0.30 0.00 0.64 0.00 0.00 57.07 58.24 1rg1 s TYR 441 Cb -0.17 0.07 -0.12 0.00 0.42 0.00 0.00 41.96 42.16 1rg1 s TYR 441 CO 0.05 -0.22 1.56 -2.30 0.64 0.00 0.00 175.55 175.28 1rg1 n PRO 442 N 3.98 2.57 -2.06 4.97 -0.02 -1.26 -4.39 135.00 138.79 1rg1 n PRO 442 Ca -0.23 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1rg1 n PRO 442 Cb 0.54 -2.67 0.05 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.44 5.34 0.26 2.55 1.04 -1.26 -1.22 113.70 120.85 1rg1 s SER 443 Ca 0.65 0.92 -0.02 0.00 0.48 0.00 0.00 55.95 57.97 1rg1 s SER 443 Cb -0.52 -1.73 0.44 0.00 0.10 0.00 0.00 66.02 64.31 1rg1 s SER 443 CO 0.49 -1.34 1.82 0.58 0.98 0.00 0.00 173.24 175.77 1rg1 h VAL 444 N -0.56 0.92 -0.67 5.02 2.07 -1.18 -2.03 116.25 119.82 1rg1 h VAL 444 Ca -0.45 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1rg1 h VAL 444 Cb 1.27 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1rg1 h VAL 444 CO 0.63 0.16 0.24 -0.08 0.02 0.00 0.00 177.57 178.54 1rg1 h GLU 445 N 0.88 1.03 -0.66 1.57 4.57 -1.94 0.11 114.58 120.14 1rg1 h GLU 445 Ca 0.43 -0.21 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 1rg1 h GLU 445 Cb 0.39 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 1rg1 h GLU 445 CO -0.25 0.88 0.36 -0.91 -1.18 0.00 0.00 179.01 177.90 1rg1 h ASN 446 N 0.97 0.52 -0.08 1.04 -0.26 -1.76 -2.57 115.58 113.44 1rg1 h ASN 446 Ca 0.22 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 1rg1 h ASN 446 Cb 0.26 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1rg1 h ASN 446 CO -0.01 0.33 -0.09 0.58 -1.06 0.00 0.00 177.43 177.18 1rg1 h VAL 447 N 0.65 1.37 -0.80 2.81 2.07 -1.02 -3.01 116.25 118.33 1rg1 h VAL 447 Ca 0.30 -1.26 0.13 0.00 0.82 0.00 0.00 66.70 66.69 1rg1 h VAL 447 Cb 0.20 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.91 1rg1 h VAL 447 CO -0.19 0.35 0.40 -0.09 0.02 0.00 0.00 177.57 178.06 1rg1 h ARG 448 N -0.23 0.59 -0.64 1.57 2.43 -0.65 -1.50 114.38 115.94 1rg1 h ARG 448 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1rg1 h ARG 448 Cb 0.61 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1rg1 h ARG 448 CO 0.02 0.39 0.00 0.25 -1.51 0.00 0.00 179.97 179.12 1rg1 n THR 449 N -4.88 2.05 -1.63 0.20 -2.24 -0.98 -1.48 114.28 105.32 1rg1 n THR 449 Ca 0.15 -1.18 -0.29 0.00 -2.27 0.00 0.00 64.05 60.46 1rg1 n THR 449 Cb 0.38 -0.06 0.14 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.80 3.47 0.54 3.42 1.04 -0.57 -4.87 113.70 115.94 1rg1 s SER 450 Ca 0.49 0.81 0.20 0.00 0.48 0.00 0.00 55.95 57.93 1rg1 s SER 450 Cb 0.34 -1.27 1.41 0.00 0.10 0.00 0.00 66.02 66.60 1rg1 s SER 450 CO 0.20 -2.56 2.15 -0.07 0.98 0.00 0.00 173.24 173.94 1rg1 h LEU 451 N -1.50 0.00 0.00 2.42 3.38 -1.16 -2.71 115.31 115.74 1rg1 h LEU 451 Ca -0.48 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.24 1rg1 h LEU 451 Cb 1.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1rg1 h LEU 451 CO 0.58 0.00 -1.81 -0.62 0.09 0.00 0.00 178.44 176.68 1rg1 n GLU 452 N -4.35 0.65 0.00 1.13 1.02 -1.26 -4.98 120.64 112.84 1rg1 n GLU 452 Ca -0.01 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1rg1 n GLU 452 Cb 0.16 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 1.53 -0.32 0.34 0.62 0.00 -1.02 -4.26 105.19 102.08 1rg1 n GLY 453 Ca -0.18 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 0.77 0.00 1.61 0.05 -1.80 -1.55 116.97 116.06 1rg1 h TYR 454 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1rg1 h TYR 454 Cb 0.00 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1rg1 h TYR 454 CO 0.00 0.44 0.05 -2.30 -1.05 0.00 0.00 178.16 175.31 1rg1 n PRO 455 N -4.46 0.01 0.02 4.88 -0.02 -1.26 0.60 135.00 134.76 1rg1 n PRO 455 Ca 0.09 0.46 0.01 0.00 -2.02 0.00 0.00 63.50 62.04 1rg1 n PRO 455 Cb 0.15 -1.58 0.35 0.00 -0.02 0.00 0.00 33.50 32.39 1rg1 n PRO 455 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rg1 h ALA 456 N 1.80 1.48 0.00 3.55 0.00 -1.53 -2.33 119.26 122.23 1rg1 h ALA 456 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rg1 h ALA 456 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rg1 h ALA 456 CO 0.00 0.38 0.00 0.78 0.00 0.00 0.00 179.25 180.41 1rg1 h GLY 457 N 0.74 0.00 2.00 0.00 0.00 -0.04 -1.42 103.07 104.35 1rg1 h GLY 457 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1rg1 h GLY 457 CO 0.00 0.00 -0.21 -1.33 0.00 0.00 0.00 176.54 175.01 1rg1 h GLY 458 N 0.22 0.00 -2.50 4.60 0.00 -1.56 -2.38 103.07 101.45 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 -3.82 3.81 -3.53 0.19 7.64 -0.54 -4.48 113.62 112.89 1rg1 n SER 459 Ca -0.02 -2.00 -0.27 0.00 1.01 0.00 0.00 58.87 57.59 1rg1 n SER 459 Cb 0.31 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.50 3.28 -3.61 -3.43 4.77 -0.90 -4.83 117.00 113.78 1rg1 n LEU 460 Ca 0.23 -5.32 -0.41 0.00 -0.03 0.00 0.00 56.01 50.48 1rg1 n LEU 460 Cb 0.60 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1rg1 n LEU 460 CO 0.16 1.98 2.72 -0.81 -1.33 0.00 0.00 177.39 180.10 1rg1 n PRO 461 N 1.21 3.43 -3.41 3.23 -0.04 -1.25 -4.26 135.00 133.91 1rg1 n PRO 461 Ca 0.27 -2.76 -0.40 0.00 -0.04 0.00 0.00 63.50 60.57 1rg1 n PRO 461 Cb 0.40 -3.01 -0.09 0.00 -0.04 0.00 0.00 33.50 30.76 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 1.89 3.22 0.12 0.54 5.04 -1.26 -4.61 117.35 122.29 1rg1 s TYR 462 Ca 0.53 0.09 -0.13 0.00 -2.44 0.00 0.00 57.07 55.12 1rg1 s TYR 462 Cb 0.15 -2.62 -0.07 0.00 0.35 0.00 0.00 41.96 39.77 1rg1 s TYR 462 CO -0.06 -0.36 0.50 -1.54 -1.34 0.00 0.00 175.55 172.75 1rg1 s SER 463 N 1.72 6.77 0.30 4.32 1.04 -1.26 -0.67 113.70 125.92 1rg1 s SER 463 Ca 0.12 0.99 0.05 0.00 0.48 0.00 0.00 55.95 57.60 1rg1 s SER 463 Cb -0.16 -2.26 0.72 0.00 0.10 0.00 0.00 66.02 64.42 1rg1 s SER 463 CO 0.11 0.13 1.79 -0.29 0.98 0.00 0.00 173.24 175.96 1rg1 h ILE 464 N 2.84 0.73 -0.31 -1.02 6.09 -1.92 0.79 117.51 124.71 1rg1 h ILE 464 Ca -0.49 -0.27 0.07 0.00 -1.37 0.00 0.00 64.86 62.80 1rg1 h ILE 464 Cb 1.19 -0.13 -0.08 0.00 0.47 0.00 0.00 36.82 38.28 1rg1 h ILE 464 CO 0.66 0.14 -0.23 1.56 -3.07 0.00 0.00 178.15 177.21 1rg1 h GLN 465 N 0.79 -0.20 -0.10 2.19 7.50 -1.98 0.15 115.11 123.46 1rg1 h GLN 465 Ca 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.70 1rg1 h GLN 465 Cb 0.85 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.42 1rg1 h GLN 465 CO -0.36 -0.13 -0.07 1.15 -1.50 0.00 0.00 178.83 177.91 1rg1 h THR 466 N -0.21 1.34 -0.49 -0.54 2.02 -1.69 -3.27 112.91 110.07 1rg1 h THR 466 Ca 0.16 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1rg1 h THR 466 Cb 0.46 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1rg1 h THR 466 CO -0.43 0.33 0.30 0.00 0.37 0.00 0.00 175.52 176.09 1rg1 h ALA 467 N 0.60 1.61 0.00 6.16 0.00 -0.48 -2.05 119.26 125.11 1rg1 h ALA 467 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rg1 h ALA 467 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rg1 h ALA 467 CO 0.02 0.35 0.00 1.05 0.00 0.00 0.00 179.25 180.67 1rg1 h GLU 468 N 0.67 0.00 0.00 0.00 4.11 -0.78 -2.91 114.58 115.67 1rg1 h GLU 468 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1rg1 h GLU 468 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1rg1 h GLU 468 CO -0.03 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.68 1rg1 n LYS 469 N -2.66 0.26 -2.74 1.06 5.02 -0.77 -4.33 118.16 113.99 1rg1 n LYS 469 Ca 0.04 0.26 -0.03 0.00 -2.02 0.00 0.00 58.31 56.57 1rg1 n LYS 469 Cb 0.41 -1.83 0.08 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.29 1.47 0.17 1.97 10.64 -1.11 -4.67 117.38 123.57 1rg1 n GLN 470 Ca 0.05 -2.49 0.18 0.00 -1.83 0.00 0.00 57.00 52.92 1rg1 n GLN 470 Cb 0.39 -0.68 0.74 0.00 -0.86 0.00 0.00 30.24 29.84 1rg1 n GLN 470 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1rg1 h ASN 471 N 2.03 0.00 -1.01 2.61 -0.73 -1.73 -0.74 115.58 116.01 1rg1 h ASN 471 Ca -0.26 0.00 0.12 0.00 1.87 0.00 0.00 56.30 58.03 1rg1 h ASN 471 Cb 1.27 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.78 1rg1 h ASN 471 CO 0.06 0.00 0.64 4.11 -0.37 0.00 0.00 177.43 181.87 1rg1 h TRP 472 N 0.00 1.15 -0.63 0.67 5.08 -1.92 -2.65 115.95 117.66 1rg1 h TRP 472 Ca 0.14 0.03 0.09 0.00 1.08 0.00 0.00 58.89 60.23 1rg1 h TRP 472 Cb 1.02 -0.37 -0.04 0.00 -3.00 0.00 0.00 29.16 26.77 1rg1 h TRP 472 CO 0.00 0.46 0.42 1.25 -1.28 0.00 0.00 178.44 179.29 1rg1 h LEU 473 N 1.00 0.45 -0.77 0.11 5.85 -1.53 -2.80 115.31 117.61 1rg1 h LEU 473 Ca 0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1rg1 h LEU 473 Cb 0.49 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1rg1 h LEU 473 CO -0.26 0.28 0.00 1.41 -0.34 0.00 0.00 178.44 179.52 1rg1 n HIS 474 N -4.48 0.71 0.94 1.25 8.25 -1.00 -0.80 115.22 120.10 1rg1 n HIS 474 Ca 0.10 0.30 0.11 0.00 -0.26 0.00 0.00 57.72 57.97 1rg1 n HIS 474 Cb 0.33 -0.98 0.54 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.17 0.00 -0.24 0.41 3.41 -1.06 -2.51 113.62 111.47 1rg1 n SER 475 Ca 0.01 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1rg1 n SER 475 Cb 0.18 -0.40 0.44 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.40 0.00 -3.15 7.33 4.01 0.02 -4.97 117.16 118.99 1rg1 n TYR 476 Ca 0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.43 1rg1 n TYR 476 Cb 0.23 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.45 3.84 0.14 -0.72 2.99 -1.04 -2.23 117.98 118.51 1rg1 s PHE 477 Ca 0.27 1.42 0.07 0.00 0.00 0.00 0.00 56.93 58.69 1rg1 s PHE 477 Cb 0.20 -2.61 -0.04 0.00 0.00 0.00 0.00 43.02 40.56 1rg1 s PHE 477 CO 0.49 0.55 -0.16 -1.01 -0.00 0.00 0.00 175.22 175.08 1rg1 s HIS 478 N -1.07 1.63 0.66 0.36 3.76 0.17 -2.52 115.29 118.29 1rg1 s HIS 478 Ca 0.32 -0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1rg1 s HIS 478 Cb -0.21 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.65 1rg1 s HIS 478 CO 0.22 0.24 1.13 0.15 -0.85 0.00 0.00 174.74 175.63 1rg1 s LYS 479 N -2.70 2.73 -0.17 1.40 1.02 0.34 -1.77 119.74 120.59 1rg1 s LYS 479 Ca 0.12 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 1rg1 s LYS 479 Cb -0.05 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1rg1 s LYS 479 CO 0.05 -1.32 1.06 -0.46 -0.92 0.00 0.00 175.35 173.75 1rg1 s TRP 480 N -2.21 3.35 -0.12 3.18 -0.11 -1.26 -4.56 118.94 117.21 1rg1 s TRP 480 Ca 0.69 1.46 -0.05 0.00 1.22 0.00 0.00 56.10 59.42 1rg1 s TRP 480 Cb -0.22 -3.27 0.05 0.00 -1.50 0.00 0.00 33.47 28.53 1rg1 s TRP 480 CO 0.41 -0.55 0.25 0.45 -4.62 0.00 0.00 176.95 172.89 1rg1 s SER 481 N 1.25 0.00 -0.29 5.86 0.15 -1.26 -4.95 113.70 114.47 1rg1 s SER 481 Ca 0.47 0.55 0.20 0.00 0.70 0.00 0.00 55.95 57.88 1rg1 s SER 481 Cb -0.17 0.53 0.49 0.00 -1.71 0.00 0.00 66.02 65.15 1rg1 s SER 481 CO 0.12 -0.20 1.04 0.00 1.20 0.00 0.00 173.24 175.40 1rg1 n ALA 482 N 4.71 3.00 -0.19 5.45 0.00 -1.26 -1.05 120.51 131.16 1rg1 n ALA 482 Ca -0.17 -2.94 0.11 0.00 0.00 0.00 0.00 53.44 50.44 1rg1 n ALA 482 Cb 0.52 -0.90 0.42 0.00 0.00 0.00 0.00 19.45 19.49 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 2.77 0.58 -0.84 0.00 4.39 -1.92 0.16 114.58 119.73 1rg1 h GLU 483 Ca -0.11 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.70 1rg1 h GLU 483 Cb 1.23 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.69 1rg1 h GLU 483 CO 0.33 0.39 0.55 0.00 -1.16 0.00 0.00 179.01 179.12 1rg1 h THR 484 N 0.60 0.82 -0.24 1.13 1.03 -1.88 -1.94 112.91 112.43 1rg1 h THR 484 Ca 0.36 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1rg1 h THR 484 Cb 0.59 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 1rg1 h THR 484 CO -0.13 0.11 0.00 -1.54 -0.01 0.00 0.00 175.52 173.94 1rg1 n SER 485 N -4.53 2.61 -1.99 0.00 3.41 -0.52 -2.51 113.62 110.09 1rg1 n SER 485 Ca 0.16 -1.89 -0.16 0.00 -0.26 0.00 0.00 58.87 56.72 1rg1 n SER 485 Cb 0.49 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.38 -0.24 0.35 5.00 0.00 0.41 -4.91 105.19 106.17 1rg1 n GLY 486 Ca 0.09 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.79 0.82 -0.19 1.61 1.74 -0.24 -4.69 116.66 112.93 1rg1 n ARG 487 Ca -0.14 -2.11 0.16 0.00 -0.77 0.00 0.00 57.85 54.99 1rg1 n ARG 487 Cb 0.62 -1.10 0.50 0.00 -1.02 0.00 0.00 32.46 31.46 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 0.16 0.40 -0.12 0.55 0.02 -1.91 0.16 113.55 112.81 1rg1 h SER 488 Ca -0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1rg1 h SER 488 Cb 1.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1rg1 h SER 488 CO 0.01 0.20 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 1rg1 n ASN 489 N -4.49 2.32 -4.22 3.07 3.02 -1.26 -4.73 115.26 108.97 1rg1 n ASN 489 Ca 0.16 -1.78 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 1rg1 n ASN 489 Cb 0.56 -0.07 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.86 3.51 0.34 5.41 0.00 0.04 -0.58 121.76 128.63 1rg1 s ALA 490 Ca 0.34 -2.68 -0.28 0.00 0.00 0.00 0.00 51.96 49.33 1rg1 s ALA 490 Cb 0.20 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 20.28 1rg1 s ALA 490 CO 0.31 -1.97 1.39 -1.33 0.00 0.00 0.00 175.76 174.15 1rg1 n MET 491 N 4.72 2.35 -2.33 0.00 2.81 -1.24 -3.04 117.12 120.40 1rg1 n MET 491 Ca -0.05 0.83 -0.42 0.00 -1.81 0.00 0.00 57.70 56.24 1rg1 n MET 491 Cb 0.41 -2.48 -0.03 0.00 -0.71 0.00 0.00 33.22 30.41 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 -1.72 4.28 0.00 0.03 0.04 -1.26 -0.95 135.00 135.43 1rg1 s PRO 492 Ca 0.56 1.82 0.09 0.00 0.04 0.00 0.00 61.00 63.52 1rg1 s PRO 492 Cb -0.54 -3.65 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 1rg1 s PRO 492 CO 0.61 -0.59 0.47 1.58 0.04 0.00 0.00 177.00 179.11 1rg1 n HIS 493 N 5.76 0.00 -1.20 0.56 -0.00 -0.08 -4.67 115.22 115.59 1rg1 n HIS 493 Ca 0.13 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.97 1rg1 n HIS 493 Cb 0.45 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.43 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 -1.71 2.14 -0.05 3.57 2.07 -0.44 -4.80 121.20 121.98 1rg1 s ILE 494 Ca 0.05 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.37 1rg1 s ILE 494 Cb 0.07 -2.52 0.01 0.00 0.13 0.00 0.00 42.46 40.16 1rg1 s ILE 494 CO 0.34 -0.04 -0.09 -0.54 -1.91 0.00 0.00 174.94 172.70 1rg1 s LYS 495 N -4.09 1.27 0.03 3.50 3.01 -1.25 -4.37 119.74 117.85 1rg1 s LYS 495 Ca 0.73 -0.29 -0.05 0.00 -1.01 0.00 0.00 55.97 55.36 1rg1 s LYS 495 Cb -0.29 -1.12 -0.01 0.00 -1.01 0.00 0.00 37.83 35.40 1rg1 s LYS 495 CO 0.49 0.00 0.08 0.95 0.51 0.00 0.00 175.35 177.39 1rg1 s THR 496 N 0.68 0.13 -0.03 2.17 -4.23 -0.21 -2.02 115.64 112.13 1rg1 s THR 496 Ca -0.12 -1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1rg1 s THR 496 Cb -0.14 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 72.87 1rg1 s THR 496 CO 0.02 -0.60 0.11 -0.31 -0.54 0.00 0.00 174.62 173.30 1rg1 s TYR 497 N -2.46 -0.04 0.26 3.99 2.02 -0.59 -0.50 117.35 120.02 1rg1 s TYR 497 Ca -0.06 0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.54 1rg1 s TYR 497 Cb -0.02 -0.00 0.05 0.00 -0.40 0.00 0.00 41.96 41.58 1rg1 s TYR 497 CO -0.04 -0.14 0.84 0.00 -1.57 0.00 0.00 175.55 174.64 1rg1 s MET 498 N -0.49 1.69 -0.47 -0.62 0.23 -0.59 -0.49 119.30 118.57 1rg1 s MET 498 Ca -0.06 -1.00 0.04 0.00 -1.03 0.00 0.00 55.69 53.65 1rg1 s MET 498 Cb -0.04 0.53 0.17 0.00 -1.53 0.00 0.00 34.83 33.97 1rg1 s MET 498 CO 0.00 -0.78 0.37 -2.13 -2.03 0.00 0.00 175.02 170.46 1rg1 n ARG 499 N -0.51 0.53 -2.24 3.16 3.00 -1.17 -1.17 116.66 118.26 1rg1 n ARG 499 Ca -0.05 -3.44 -0.32 0.00 -0.00 0.00 0.00 57.85 54.04 1rg1 n ARG 499 Cb 0.60 -1.79 -0.02 0.00 0.00 0.00 0.00 32.46 31.25 1rg1 n ARG 499 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1rg1 s PRO 500 N -0.27 3.79 0.82 -0.14 0.02 -1.22 -0.21 135.00 137.79 1rg1 s PRO 500 Ca 0.31 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 62.18 1rg1 s PRO 500 Cb 0.03 -2.11 0.09 0.00 0.02 0.00 0.00 34.50 32.52 1rg1 s PRO 500 CO -0.19 -0.41 1.10 -1.54 -0.33 0.00 0.00 177.00 175.63 1rg1 s SER 501 N -3.24 4.00 0.44 2.53 1.04 0.24 -3.14 113.70 115.57 1rg1 s SER 501 Ca 0.59 1.85 0.21 0.00 0.48 0.00 0.00 55.95 59.08 1rg1 s SER 501 Cb -0.11 -2.49 1.18 0.00 0.10 0.00 0.00 66.02 64.71 1rg1 s SER 501 CO 0.36 -2.36 1.83 -0.65 0.98 0.00 0.00 173.24 173.41 1rg1 h PRO 502 N -1.36 0.31 -0.32 4.02 0.11 -1.91 0.64 132.00 133.48 1rg1 h PRO 502 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rg1 h PRO 502 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rg1 h PRO 502 CO 0.50 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1rg1 n ASP 503 N -4.48 2.41 -0.20 -2.05 5.75 -1.26 -4.95 116.55 111.77 1rg1 n ASP 503 Ca 0.21 -1.88 -0.03 0.00 -0.01 0.00 0.00 54.79 53.09 1rg1 n ASP 503 Cb 0.82 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 40.69 1rg1 n ASP 503 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1rg1 n PHE 504 N 0.81 0.00 0.25 2.11 3.01 0.22 -4.86 117.46 119.00 1rg1 n PHE 504 Ca 0.17 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.75 1rg1 n PHE 504 Cb 0.42 -1.84 0.17 0.00 -0.01 0.00 0.00 39.48 38.23 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 -4.89 4.37 4.64 -1.93 -3.45 113.55 112.29 1rg1 h SER 505 Ca -0.05 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.96 1rg1 h SER 505 Cb 0.87 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.81 1rg1 h SER 505 CO 0.08 0.00 -0.62 -0.54 -0.87 0.00 0.00 176.83 174.88 1rg1 s LYS 506 N -3.21 1.29 0.03 4.77 1.02 -1.26 -0.56 119.74 121.81 1rg1 s LYS 506 Ca 0.07 -1.68 0.02 0.00 0.02 0.00 0.00 55.97 54.40 1rg1 s LYS 506 Cb 0.06 -0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1rg1 s LYS 506 CO 0.68 -0.31 -0.08 0.96 -0.92 0.00 0.00 175.35 175.68 1rg1 s ILE 507 N -3.89 0.55 -0.62 2.17 -4.36 0.13 -0.59 121.20 114.59 1rg1 s ILE 507 Ca 0.36 -0.85 0.24 0.00 -0.26 0.00 0.00 60.65 60.15 1rg1 s ILE 507 Cb 0.07 -0.57 0.13 0.00 1.25 0.00 0.00 42.46 43.35 1rg1 s ILE 507 CO 0.12 -0.23 1.45 0.00 0.24 0.00 0.00 174.94 176.52 1rg1 h ALA 508 N 4.92 0.72 -1.12 2.27 0.00 -0.91 -1.95 119.26 123.19 1rg1 h ALA 508 Ca -0.34 0.00 0.34 0.00 0.00 0.00 0.00 54.91 54.91 1rg1 h ALA 508 Cb 1.20 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1rg1 h ALA 508 CO 0.43 0.00 0.95 1.67 0.00 0.00 0.00 179.25 182.31 1rg1 s TRP 509 N -3.17 -0.03 -0.02 0.00 1.48 -1.26 -4.44 118.94 111.50 1rg1 s TRP 509 Ca 0.07 0.01 -0.01 0.00 -1.06 0.00 0.00 56.10 55.11 1rg1 s TRP 509 Cb 0.12 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.96 1rg1 s TRP 509 CO 0.69 -0.06 0.04 0.12 -4.06 0.00 0.00 176.95 173.68 1rg1 s PHE 510 N -2.10 -0.01 -0.13 1.66 5.36 -0.95 -3.04 117.98 118.77 1rg1 s PHE 510 Ca 0.12 0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.27 1rg1 s PHE 510 Cb 0.01 -0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.57 1rg1 s PHE 510 CO -0.04 -0.07 -0.22 -1.17 -1.46 0.00 0.00 175.22 172.26 1rg1 s LEU 511 N 0.70 2.12 -0.10 6.12 2.96 0.36 0.36 118.68 131.20 1rg1 s LEU 511 Ca -0.06 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1rg1 s LEU 511 Cb -0.08 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 1rg1 s LEU 511 CO -0.02 0.10 -0.11 0.54 -1.32 0.00 0.00 176.35 175.54 1rg1 s VAL 512 N 0.67 3.27 0.26 1.68 0.11 -0.95 -1.54 120.40 123.90 1rg1 s VAL 512 Ca -0.11 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 58.16 1rg1 s VAL 512 Cb -0.16 -2.35 0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1rg1 s VAL 512 CO 0.01 0.55 0.63 0.28 -3.33 0.00 0.00 175.10 173.24 1rg1 s THR 513 N -0.09 0.00 -0.69 5.04 -1.32 -0.86 -0.80 115.64 116.94 1rg1 s THR 513 Ca -0.01 -1.12 0.25 0.00 -1.21 0.00 0.00 61.69 59.60 1rg1 s THR 513 Cb -0.14 -2.04 0.18 0.00 -1.51 0.00 0.00 72.50 68.99 1rg1 s THR 513 CO 0.03 -0.00 1.57 -1.54 -2.21 0.00 0.00 174.62 172.47 1rg1 n SER 514 N -0.43 0.78 -4.66 8.08 3.41 -0.66 -3.85 113.62 116.30 1rg1 n SER 514 Ca -0.04 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.53 1rg1 n SER 514 Cb 0.60 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -3.13 3.62 0.81 7.33 0.00 -1.26 -4.93 121.76 124.19 1rg1 s ALA 515 Ca 0.09 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 1rg1 s ALA 515 Cb 0.13 -3.74 0.05 0.00 0.00 0.00 0.00 23.12 19.56 1rg1 s ALA 515 CO 0.65 -1.38 0.34 0.09 0.00 0.00 0.00 175.76 175.46 1rg1 n ASN 516 N 7.06 0.16 -4.43 0.00 3.02 -1.26 -4.85 115.26 114.96 1rg1 n ASN 516 Ca 0.17 -1.20 -0.44 0.00 -0.03 0.00 0.00 54.58 53.07 1rg1 n ASN 516 Cb 0.43 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1rg1 n ASN 516 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1rg1 s LEU 517 N 0.00 5.37 0.00 3.41 2.96 -0.85 -4.72 118.68 124.85 1rg1 s LEU 517 Ca 0.20 -2.86 -0.13 0.00 -0.22 0.00 0.00 54.13 51.13 1rg1 s LEU 517 Cb -0.01 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.34 1rg1 s LEU 517 CO 0.14 -0.73 0.26 -0.94 -1.32 0.00 0.00 176.35 173.76 1rg1 s SER 518 N 2.73 -0.11 0.43 3.68 1.04 -1.26 -0.69 113.70 119.51 1rg1 s SER 518 Ca 0.37 -0.07 0.16 0.00 0.48 0.00 0.00 55.95 56.89 1rg1 s SER 518 Cb -0.05 0.29 0.96 0.00 0.10 0.00 0.00 66.02 67.32 1rg1 s SER 518 CO -0.04 -0.47 1.94 0.11 0.98 0.00 0.00 173.24 175.76 1rg1 h LYS 519 N 3.80 0.00 -0.89 4.02 1.57 -1.87 -1.20 116.57 122.00 1rg1 h LYS 519 Ca -0.30 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1rg1 h LYS 519 Cb 1.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 1rg1 h LYS 519 CO 0.42 0.25 0.59 0.00 -0.57 0.00 0.00 179.45 180.14 1rg1 h ALA 520 N 1.75 1.37 0.19 3.86 0.00 -1.90 0.45 119.26 124.98 1rg1 h ALA 520 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1rg1 h ALA 520 Cb 0.46 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1rg1 h ALA 520 CO 0.03 0.59 -1.71 0.00 0.00 0.00 0.00 179.25 178.16 1rg1 h ALA 521 N 1.44 0.14 0.00 0.00 0.00 -1.79 -2.16 119.26 116.89 1rg1 h ALA 521 Ca 0.33 -1.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 1rg1 h ALA 521 Cb -0.13 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1rg1 h ALA 521 CO -0.07 0.99 -1.75 0.91 0.00 0.00 0.00 179.25 179.33 1rg1 n TRP 522 N -3.63 0.42 0.00 0.00 7.02 -0.48 -4.81 117.44 115.96 1rg1 n TRP 522 Ca -0.24 0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 1rg1 n TRP 522 Cb 1.06 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 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 1.37 2.41 3.14 6.99 0.00 0.14 -1.07 105.19 118.17 1rg1 n GLY 523 Ca -0.10 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.98 1.20 -0.02 4.61 0.00 0.18 -4.81 121.76 121.94 1rg1 s ALA 524 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1rg1 s ALA 524 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1rg1 s ALA 524 CO 0.00 0.25 1.01 -0.51 0.00 0.00 0.00 175.76 176.50 1rg1 s LEU 525 N -0.92 4.34 0.33 0.00 1.43 -1.26 0.53 118.68 123.12 1rg1 s LEU 525 Ca 0.03 1.66 0.10 0.00 -1.03 0.00 0.00 54.13 54.89 1rg1 s LEU 525 Cb -0.07 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1rg1 s LEU 525 CO 0.01 -0.32 -0.08 -1.61 0.23 0.00 0.00 176.35 174.57 1rg1 s GLU 526 N 1.27 1.89 -0.80 1.70 2.02 0.44 -4.72 118.70 120.50 1rg1 s GLU 526 Ca 0.52 -1.82 -0.01 0.00 0.02 0.00 0.00 54.97 53.68 1rg1 s GLU 526 Cb -0.21 -1.81 -0.00 0.00 0.10 0.00 0.00 34.13 32.21 1rg1 s GLU 526 CO 0.26 0.19 0.66 1.63 0.02 0.00 0.00 175.26 178.02 1rg1 n LYS 527 N -0.81 -1.42 -4.04 1.61 5.02 -1.26 -1.49 118.16 115.76 1rg1 n LYS 527 Ca -0.05 1.08 -0.31 0.00 -2.02 0.00 0.00 58.31 57.01 1rg1 n LYS 527 Cb 0.62 -3.97 -0.01 0.00 -0.02 0.00 0.00 35.03 31.65 1rg1 n LYS 527 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rg1 n ASN 528 N -2.24 -2.78 -0.77 4.39 4.13 -1.26 -2.20 115.26 114.54 1rg1 n ASN 528 Ca -0.16 -0.94 -0.09 0.00 1.68 0.00 0.00 54.58 55.07 1rg1 n ASN 528 Cb 0.60 -3.21 -0.03 0.00 -1.54 0.00 0.00 39.78 35.60 1rg1 n ASN 528 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rg1 n GLY 529 N -1.64 0.92 0.23 7.41 0.00 -1.13 -4.89 105.19 106.08 1rg1 n GLY 529 Ca -0.06 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.93 0.00 -4.46 2.61 -2.24 -0.93 -4.92 114.28 101.40 1rg1 n THR 530 Ca -0.10 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.15 1rg1 n THR 530 Cb 0.35 1.12 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.93 1.60 -0.36 -0.78 0.74 -0.56 -4.07 119.66 114.29 1rg1 s GLN 531 Ca 0.10 -0.37 -0.16 0.00 0.05 0.00 0.00 55.36 54.99 1rg1 s GLN 531 Cb 0.11 -1.38 -0.00 0.00 1.10 0.00 0.00 33.01 32.84 1rg1 s GLN 531 CO 0.43 -0.02 0.39 -1.17 -0.55 0.00 0.00 175.29 174.37 1rg1 s LEU 532 N 0.82 4.56 -0.27 3.68 2.96 -0.39 0.17 118.68 130.21 1rg1 s LEU 532 Ca -0.12 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.32 1rg1 s LEU 532 Cb -0.15 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1rg1 s LEU 532 CO 0.02 -0.41 0.23 -0.32 -1.32 0.00 0.00 176.35 174.55 1rg1 s MET 533 N 2.06 3.99 0.03 1.98 -2.45 0.19 -1.17 119.30 123.92 1rg1 s MET 533 Ca 0.12 -0.21 0.09 0.00 -1.25 0.00 0.00 55.69 54.44 1rg1 s MET 533 Cb -0.17 -3.64 -0.03 0.00 1.25 0.00 0.00 34.83 32.25 1rg1 s MET 533 CO 0.12 -0.16 -0.26 0.42 1.05 0.00 0.00 175.02 176.19 1rg1 s ILE 534 N 1.70 2.11 -0.04 10.11 1.01 -0.35 -0.65 121.20 135.10 1rg1 s ILE 534 Ca 0.09 -1.31 0.18 0.00 0.00 0.00 0.00 60.65 59.61 1rg1 s ILE 534 Cb -0.16 -1.79 -0.28 0.00 0.01 0.00 0.00 42.46 40.24 1rg1 s ILE 534 CO 0.10 0.43 0.37 0.54 0.00 0.00 0.00 174.94 176.37 1rg1 n ARG 535 N 1.96 0.62 -4.25 2.79 1.74 -0.84 -1.33 116.66 117.35 1rg1 n ARG 535 Ca -0.17 -0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 56.62 1rg1 n ARG 535 Cb 0.52 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 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 -4.22 1.64 -0.03 0.55 0.01 -1.04 -4.10 113.70 106.51 1rg1 s SER 536 Ca -0.07 -1.07 -0.24 0.00 1.31 0.00 0.00 55.95 55.89 1rg1 s SER 536 Cb 0.11 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 1rg1 s SER 536 CO 0.76 -0.41 0.71 -0.31 0.41 0.00 0.00 173.24 174.40 1rg1 s TYR 537 N -3.42 3.64 0.07 2.43 1.51 -0.87 -2.71 117.35 117.98 1rg1 s TYR 537 Ca 0.19 1.32 -0.09 0.00 -1.01 0.00 0.00 57.07 57.48 1rg1 s TYR 537 Cb 0.04 -2.79 -0.00 0.00 -0.11 0.00 0.00 41.96 39.10 1rg1 s TYR 537 CO 0.02 0.17 0.18 -1.21 -1.11 0.00 0.00 175.55 173.60 1rg1 s GLU 538 N 0.44 0.77 -0.22 -0.62 0.41 -0.79 -1.56 118.70 117.12 1rg1 s GLU 538 Ca 0.37 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.92 1rg1 s GLU 538 Cb -0.19 0.31 0.06 0.00 -1.78 0.00 0.00 34.13 32.54 1rg1 s GLU 538 CO 0.20 -0.23 0.57 -1.17 -0.49 0.00 0.00 175.26 174.14 1rg1 s LEU 539 N -2.54 -0.36 0.20 1.80 2.96 -1.26 -0.26 118.68 119.22 1rg1 s LEU 539 Ca 0.01 1.20 -0.09 0.00 -0.22 0.00 0.00 54.13 55.02 1rg1 s LEU 539 Cb 0.03 1.96 -0.01 0.00 0.50 0.00 0.00 46.19 48.67 1rg1 s LEU 539 CO -0.08 -0.21 0.34 -0.83 -1.32 0.00 0.00 176.35 174.25 1rg1 s GLY 540 N 0.79 0.66 -0.06 7.98 0.00 -0.18 -1.65 107.32 114.88 1rg1 s GLY 540 Ca -0.04 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.72 1rg1 s GLY 540 CO -0.06 -0.84 -0.22 -1.34 0.00 0.00 0.00 173.10 170.64 1rg1 s VAL 541 N -4.02 2.38 -0.19 1.40 -7.23 0.02 -1.29 120.40 111.48 1rg1 s VAL 541 Ca 0.23 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.38 1rg1 s VAL 541 Cb 0.02 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1rg1 s VAL 541 CO 0.06 0.57 0.05 -0.22 -0.31 0.00 0.00 175.10 175.25 1rg1 s LEU 542 N -0.29 3.67 -0.34 1.32 2.96 0.65 -2.23 118.68 124.42 1rg1 s LEU 542 Ca 0.01 -0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.78 1rg1 s LEU 542 Cb -0.13 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1rg1 s LEU 542 CO 0.03 0.13 0.27 -0.36 -1.32 0.00 0.00 176.35 175.10 1rg1 s PHE 543 N 0.60 3.23 -0.16 5.38 0.40 0.16 -1.59 117.98 126.00 1rg1 s PHE 543 Ca 0.02 -0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1rg1 s PHE 543 Cb -0.13 -2.52 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 1rg1 s PHE 543 CO 0.02 -0.38 -0.08 -0.51 0.70 0.00 0.00 175.22 174.96 1rg1 s LEU 544 N 1.78 2.89 0.43 -0.37 1.43 -1.26 -2.24 118.68 121.35 1rg1 s LEU 544 Ca 0.07 -0.29 0.22 0.00 -1.03 0.00 0.00 54.13 53.10 1rg1 s LEU 544 Cb -0.17 -1.69 1.20 0.00 0.03 0.00 0.00 46.19 45.56 1rg1 s LEU 544 CO 0.11 0.12 1.79 -0.65 0.23 0.00 0.00 176.35 177.94 1rg1 h PRO 545 N 7.07 0.30 -0.01 1.29 0.11 -1.82 -1.18 132.00 137.75 1rg1 h PRO 545 Ca -0.31 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1rg1 h PRO 545 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1rg1 h PRO 545 CO 0.59 0.20 -0.16 0.66 -0.21 0.00 0.00 178.00 179.08 1rg1 h SER 546 N 0.30 0.01 0.90 -2.05 4.64 -1.75 0.36 113.55 115.97 1rg1 h SER 546 Ca 0.58 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1rg1 h SER 546 Cb 1.64 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1rg1 h SER 546 CO -0.23 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 1rg1 h ALA 547 N 1.83 1.00 -0.01 5.18 0.00 -1.53 -0.62 119.26 125.11 1rg1 h ALA 547 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rg1 h ALA 547 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rg1 h ALA 547 CO 0.02 0.00 -0.18 1.28 0.00 0.00 0.00 179.25 180.37 1rg1 n LEU 548 N -2.67 1.90 -0.13 0.00 4.77 -0.11 -4.97 117.00 115.79 1rg1 n LEU 548 Ca 0.01 -0.87 -0.01 0.00 -0.03 0.00 0.00 56.01 55.11 1rg1 n LEU 548 Cb 0.27 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1rg1 n LEU 548 CO 0.24 0.35 -0.02 0.61 -1.33 0.00 0.00 177.39 177.24 1rg1 n GLY 549 N 1.02 0.45 3.90 -0.72 0.00 -0.04 -5.05 105.19 104.74 1rg1 n GLY 549 Ca 0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.36 3.13 -0.03 0.99 1.43 0.11 -4.94 118.68 119.00 1rg1 s LEU 550 Ca 0.00 -0.93 0.19 0.00 -1.03 0.00 0.00 54.13 52.35 1rg1 s LEU 550 Cb 0.00 -1.70 -0.29 0.00 0.03 0.00 0.00 46.19 44.23 1rg1 s LEU 550 CO 0.00 -0.87 0.39 0.47 0.23 0.00 0.00 176.35 176.58 1rg1 n ASP 551 N -1.68 0.69 -3.52 2.29 8.00 -1.26 -2.74 116.55 118.33 1rg1 n ASP 551 Ca 0.03 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 1rg1 n ASP 551 Cb 0.63 1.81 -0.02 0.00 -0.02 0.00 0.00 41.12 43.52 1rg1 n ASP 551 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rg1 s SER 552 N -4.23 -0.39 -0.10 -2.24 1.04 -1.26 -4.84 113.70 101.68 1rg1 s SER 552 Ca -0.07 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 1rg1 s SER 552 Cb 0.12 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1rg1 s SER 552 CO 0.78 -0.76 -0.03 -0.36 0.98 0.00 0.00 173.24 173.85 1rg1 s PHE 553 N -3.32 3.04 0.31 5.02 2.99 -0.74 -4.91 117.98 120.37 1rg1 s PHE 553 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 56.93 56.69 1rg1 s PHE 553 Cb -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 43.02 41.10 1rg1 s PHE 553 CO -0.08 0.28 1.22 0.21 -0.00 0.00 0.00 175.22 176.85 1rg1 s LYS 554 N -0.52 4.48 -0.05 0.44 2.20 -1.26 -0.69 119.74 124.34 1rg1 s LYS 554 Ca 0.08 2.04 -0.30 0.00 -0.36 0.00 0.00 55.97 57.44 1rg1 s LYS 554 Cb -0.12 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1rg1 s LYS 554 CO 0.02 -0.02 1.04 0.08 -0.36 0.00 0.00 175.35 176.12 1rg1 s VAL 555 N -1.15 4.67 -0.33 4.02 1.01 0.28 -0.58 120.40 128.33 1rg1 s VAL 555 Ca 0.47 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 64.10 1rg1 s VAL 555 Cb -0.36 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1rg1 s VAL 555 CO 0.48 0.06 1.56 -0.75 0.00 0.00 0.00 175.10 176.45 1rg1 s LYS 556 N 1.66 3.60 0.31 2.72 2.20 -0.10 -4.85 119.74 125.27 1rg1 s LYS 556 Ca 0.51 1.29 0.03 0.00 -0.36 0.00 0.00 55.97 57.44 1rg1 s LYS 556 Cb -0.21 -4.06 0.52 0.00 -1.51 0.00 0.00 37.83 32.57 1rg1 s LYS 556 CO 0.23 -1.53 1.82 0.37 -0.36 0.00 0.00 175.35 175.87 1rg1 h GLN 557 N 11.18 0.54 -4.05 4.03 4.15 -1.94 -3.40 115.11 125.62 1rg1 h GLN 557 Ca -0.31 -0.14 -0.59 0.00 0.77 0.00 0.00 58.65 58.39 1rg1 h GLN 557 Cb 1.13 -0.06 -0.39 0.00 0.21 0.00 0.00 27.48 28.37 1rg1 h GLN 557 CO 1.04 0.62 -0.77 0.15 -1.93 0.00 0.00 178.83 177.94 1rg1 s LYS 558 N -4.83 1.23 -0.76 1.69 1.02 -1.26 -4.85 119.74 111.98 1rg1 s LYS 558 Ca -0.08 -0.91 -0.31 0.00 0.02 0.00 0.00 55.97 54.69 1rg1 s LYS 558 Cb 0.15 -2.42 -0.17 0.00 -0.52 0.00 0.00 37.83 34.87 1rg1 s LYS 558 CO 0.78 -0.69 2.53 0.34 -0.92 0.00 0.00 175.35 177.39 1rg1 n PHE 559 N 4.77 0.94 -1.86 3.18 7.35 -1.04 -5.04 117.46 125.75 1rg1 n PHE 559 Ca -0.09 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 1rg1 n PHE 559 Cb 0.44 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.82 1rg1 n PHE 559 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1rg1 n THR 569 N 7.52 -6.79 -2.56 -2.13 -2.24 -1.26 -5.03 114.28 101.79 1rg1 n THR 569 Ca 0.55 2.13 -0.42 0.00 -2.27 0.00 0.00 64.05 64.04 1rg1 n THR 569 Cb 0.18 -3.20 -0.03 0.00 -2.10 0.00 0.00 70.33 65.18 1rg1 n THR 569 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1rg1 s PHE 570 N -1.00 3.55 -1.23 4.78 5.36 0.26 -4.58 117.98 125.12 1rg1 s PHE 570 Ca 0.00 1.49 -0.19 0.00 -0.96 0.00 0.00 56.93 57.27 1rg1 s PHE 570 Cb 0.00 -3.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.39 1rg1 s PHE 570 CO 0.00 -0.68 1.89 -0.35 -1.46 0.00 0.00 175.22 174.62 1rg1 n PRO 571 N 3.87 2.46 -1.86 10.12 -0.04 -1.26 -0.92 135.00 147.36 1rg1 n PRO 571 Ca 0.07 -2.77 -0.43 0.00 -0.04 0.00 0.00 63.50 60.34 1rg1 n PRO 571 Cb 0.48 -3.48 -0.03 0.00 -0.04 0.00 0.00 33.50 30.44 1rg1 n PRO 571 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rg1 s VAL 572 N 6.35 3.33 -1.14 0.52 1.01 -1.26 -4.88 120.40 124.32 1rg1 s VAL 572 Ca 0.58 0.37 0.27 0.00 0.00 0.00 0.00 61.98 63.20 1rg1 s VAL 572 Cb 0.05 -3.34 0.31 0.00 0.00 0.00 0.00 36.38 33.41 1rg1 s VAL 572 CO 0.08 -0.14 1.90 -0.81 0.00 0.00 0.00 175.10 176.13 1rg1 n PRO 573 N 7.95 0.13 -4.46 2.72 -0.04 -1.26 -4.74 135.00 135.30 1rg1 n PRO 573 Ca 0.22 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1rg1 n PRO 573 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.86 2.02 0.45 0.54 1.13 -1.26 -4.16 117.35 113.20 1rg1 s TYR 574 Ca 0.18 -0.84 -0.22 0.00 -1.41 0.00 0.00 57.07 54.77 1rg1 s TYR 574 Cb 0.18 -1.29 -0.09 0.00 -1.10 0.00 0.00 41.96 39.66 1rg1 s TYR 574 CO 0.47 0.14 1.03 -0.51 -2.51 0.00 0.00 175.55 174.18 1rg1 s ASP 575 N -3.50 6.57 0.10 -0.18 -0.00 -0.22 -4.92 116.67 114.53 1rg1 s ASP 575 Ca 0.34 1.93 0.07 0.00 -0.00 0.00 0.00 52.55 54.89 1rg1 s ASP 575 Cb 0.07 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.39 1rg1 s ASP 575 CO 0.15 -0.62 -0.18 -0.76 -0.00 0.00 0.00 175.17 173.76 1rg1 s LEU 576 N -3.14 2.33 0.70 1.23 1.43 -1.26 -4.04 118.68 115.92 1rg1 s LEU 576 Ca 0.63 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1rg1 s LEU 576 Cb -0.17 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.34 1rg1 s LEU 576 CO 0.22 -0.02 1.06 -2.16 0.23 0.00 0.00 176.35 175.67 1rg1 s PRO 577 N -2.09 2.89 0.53 1.29 0.04 -1.26 -5.08 135.00 131.33 1rg1 s PRO 577 Ca 0.05 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 61.82 1rg1 s PRO 577 Cb -0.09 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1rg1 s PRO 577 CO 0.04 -1.13 1.38 -2.30 0.04 0.00 0.00 177.00 175.03 1rg1 n PRO 578 N -3.15 1.81 -3.75 0.56 -0.02 -1.26 -4.98 135.00 124.21 1rg1 n PRO 578 Ca 0.08 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 1rg1 n PRO 578 Cb 0.54 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 1rg1 n PRO 578 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1rg1 s GLU 579 N -2.81 3.91 0.48 -0.52 2.12 -1.26 -4.99 118.70 115.63 1rg1 s GLU 579 Ca 0.70 -0.35 -0.23 0.00 0.36 0.00 0.00 54.97 55.44 1rg1 s GLU 579 Cb -0.42 -3.44 -0.08 0.00 0.26 0.00 0.00 34.13 30.45 1rg1 s GLU 579 CO 0.51 -0.01 1.13 -0.11 -0.54 0.00 0.00 175.26 176.24 1rg1 n LEU 580 N 4.45 3.70 -4.62 2.70 7.94 -1.26 -0.50 117.00 129.40 1rg1 n LEU 580 Ca -0.15 1.00 -0.46 0.00 -1.11 0.00 0.00 56.01 55.29 1rg1 n LEU 580 Cb 0.52 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 43.00 1rg1 n LEU 580 CO 0.34 -1.18 0.81 -1.22 -1.11 0.00 0.00 177.39 175.03 1rg1 n TYR 581 N -0.75 1.69 -0.67 1.96 4.02 -1.05 -4.63 117.16 117.73 1rg1 n TYR 581 Ca 0.10 0.58 -0.29 0.00 -0.01 0.00 0.00 57.90 58.28 1rg1 n TYR 581 Cb 0.42 -2.35 0.25 0.00 -0.02 0.00 0.00 39.34 37.64 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 -0.04 1.50 0.29 2.72 0.00 -1.26 -4.91 107.32 105.62 1rg1 s GLY 582 Ca 0.67 -0.56 0.06 0.00 0.00 0.00 0.00 44.72 44.88 1rg1 s GLY 582 CO 0.54 0.28 1.69 1.48 0.00 0.00 0.00 173.10 177.09 1rg1 h SER 583 N -2.82 0.28 -0.09 1.64 4.64 -2.05 -2.91 113.55 112.23 1rg1 h SER 583 Ca -0.52 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1rg1 h SER 583 Cb 1.33 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1rg1 h SER 583 CO 0.41 0.66 0.00 2.29 -0.87 0.00 0.00 176.83 179.33 1rg1 n LYS 584 N -4.02 1.73 -2.77 4.77 2.85 -1.26 -4.93 118.16 114.52 1rg1 n LYS 584 Ca -0.02 -1.07 -0.35 0.00 -1.05 0.00 0.00 58.31 55.82 1rg1 n LYS 584 Cb 0.48 -1.44 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 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 -1.79 7.13 0.11 -5.58 1.01 -1.10 -5.07 116.67 111.39 1rg1 s ASP 585 Ca 0.35 1.80 0.06 0.00 0.71 0.00 0.00 52.55 55.47 1rg1 s ASP 585 Cb 0.19 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1rg1 s ASP 585 CO 0.30 -0.22 -0.16 -0.13 0.21 0.00 0.00 175.17 175.18 1rg1 s ARG 586 N -2.52 1.01 0.34 8.23 0.52 -1.26 -4.86 118.95 120.40 1rg1 s ARG 586 Ca 0.55 -1.17 -0.28 0.00 -0.52 0.00 0.00 55.73 54.31 1rg1 s ARG 586 Cb -0.15 -1.00 -0.10 0.00 0.52 0.00 0.00 34.95 34.22 1rg1 s ARG 586 CO 0.20 0.21 1.26 -1.25 0.02 0.00 0.00 175.30 175.74 1rg1 s PRO 587 N -2.31 4.33 0.12 3.54 0.04 -1.26 -0.78 135.00 138.67 1rg1 s PRO 587 Ca 0.06 2.11 -0.34 0.00 0.04 0.00 0.00 61.00 62.87 1rg1 s PRO 587 Cb -0.07 -3.02 -0.14 0.00 0.04 0.00 0.00 34.50 31.32 1rg1 s PRO 587 CO 0.03 -0.17 1.62 1.87 0.04 0.00 0.00 177.00 180.40 1rg1 n TRP 588 N 0.71 2.28 -4.04 0.56 -0.00 -0.35 -4.48 117.44 112.11 1rg1 n TRP 588 Ca 0.01 0.23 -0.30 0.00 -0.00 0.00 0.00 57.50 57.44 1rg1 n TRP 588 Cb 0.43 -2.56 -0.16 0.00 -0.00 0.00 0.00 31.31 29.01 1rg1 n TRP 588 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1rg1 s ILE 589 N 1.41 1.53 0.29 5.87 1.01 -1.26 -4.62 121.20 125.43 1rg1 s ILE 589 Ca 0.81 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1rg1 s ILE 589 Cb -0.68 -1.44 0.10 0.00 0.01 0.00 0.00 42.46 40.44 1rg1 s ILE 589 CO 0.40 0.45 1.77 4.11 0.00 0.00 0.00 174.94 181.67 1rg1 h TRP 590 N 8.01 0.59 -0.65 3.97 5.08 -1.08 -3.29 115.95 128.58 1rg1 h TRP 590 Ca -0.37 -0.10 -0.32 0.00 1.08 0.00 0.00 58.89 59.18 1rg1 h TRP 590 Cb 1.14 -0.15 -0.19 0.00 -3.00 0.00 0.00 29.16 26.95 1rg1 h TRP 590 CO 0.47 0.66 0.26 0.27 -1.28 0.00 0.00 178.44 178.82 1rg1 n ASN 591 N -4.18 3.21 -4.42 0.11 6.94 -1.26 -4.80 115.26 110.86 1rg1 n ASN 591 Ca 0.00 -3.65 -0.22 0.00 -0.02 0.00 0.00 54.58 50.70 1rg1 n ASN 591 Cb 0.35 -0.73 -0.10 0.00 -2.36 0.00 0.00 39.78 36.94 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 -3.24 2.20 0.40 1.53 -4.36 -1.24 -4.89 121.20 111.60 1rg1 s ILE 592 Ca 0.50 -2.32 -0.18 0.00 -0.26 0.00 0.00 60.65 58.39 1rg1 s ILE 592 Cb 0.44 -2.20 -0.10 0.00 1.25 0.00 0.00 42.46 41.85 1rg1 s ILE 592 CO 0.06 -0.46 0.87 -2.16 0.24 0.00 0.00 174.94 173.49 1rg1 s PRO 593 N -3.53 4.12 -0.24 0.37 0.04 -1.26 -4.62 135.00 129.88 1rg1 s PRO 593 Ca 0.27 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 1rg1 s PRO 593 Cb -0.04 -2.27 0.07 0.00 0.04 0.00 0.00 34.50 32.31 1rg1 s PRO 593 CO 0.12 0.02 0.02 0.71 0.04 0.00 0.00 177.00 177.91 1rg1 s TYR 594 N -2.14 1.78 0.00 0.56 2.02 -0.04 -4.98 117.35 114.55 1rg1 s TYR 594 Ca 0.59 -1.48 0.00 0.00 -0.37 0.00 0.00 57.07 55.81 1rg1 s TYR 594 Cb -0.09 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1rg1 s TYR 594 CO 0.16 -0.75 0.34 1.33 -1.57 0.00 0.00 175.55 175.06 1rg1 n VAL 595 N 4.84 0.10 0.10 0.71 0.24 -1.26 -1.98 118.33 121.08 1rg1 n VAL 595 Ca -0.08 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 1rg1 n VAL 595 Cb 0.45 1.38 -0.14 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.31 -4.43 7.34 1.57 -1.98 -3.45 116.57 115.93 1rg1 h LYS 596 Ca 0.00 -0.53 -0.38 0.00 -1.87 0.00 0.00 60.65 57.87 1rg1 h LYS 596 Cb 0.39 0.20 -0.30 0.00 0.08 0.00 0.00 32.23 32.60 1rg1 h LYS 596 CO 0.00 1.24 -0.77 0.00 -0.57 0.00 0.00 179.45 179.34 1rg1 s ALA 597 N -2.64 0.65 0.66 3.86 0.00 -1.26 -5.14 121.76 117.89 1rg1 s ALA 597 Ca -0.06 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1rg1 s ALA 597 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1rg1 s ALA 597 CO 0.89 0.11 1.05 -1.25 0.00 0.00 0.00 175.76 176.56 1rg1 s PRO 598 N 0.11 3.26 0.00 0.00 0.04 -1.26 -4.87 135.00 132.28 1rg1 s PRO 598 Ca -0.01 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1rg1 s PRO 598 Cb -0.06 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1rg1 s PRO 598 CO -0.00 -0.85 0.00 -0.40 0.04 0.00 0.00 177.00 175.79 1rg1 n ASP 599 N -2.93 0.00 -0.35 6.66 3.85 0.01 -4.87 116.55 118.92 1rg1 n ASP 599 Ca 0.07 -0.91 0.31 0.00 -0.71 0.00 0.00 54.79 53.54 1rg1 n ASP 599 Cb 0.54 0.00 0.64 0.00 -1.35 0.00 0.00 41.12 40.95 1rg1 n ASP 599 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1rg1 h THR 600 N -0.25 0.41 -0.56 2.12 2.02 -1.51 -0.89 112.91 114.24 1rg1 h THR 600 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1rg1 h THR 600 Cb 0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1rg1 h THR 600 CO 0.00 0.03 0.00 1.41 0.37 0.00 0.00 175.52 177.33 1rg1 n HIS 601 N -4.42 1.44 -1.16 3.16 8.25 -1.26 -4.93 115.22 116.30 1rg1 n HIS 601 Ca 0.27 -0.66 -0.06 0.00 -0.26 0.00 0.00 57.72 57.02 1rg1 n HIS 601 Cb 1.14 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.94 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 0.77 0.79 3.95 -1.41 0.00 -0.34 -5.02 105.19 103.93 1rg1 n GLY 602 Ca 0.24 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.62 6.33 0.55 1.61 0.01 -1.26 -4.77 114.94 114.80 1rg1 s ASN 603 Ca 0.00 0.14 0.08 0.00 -0.71 0.00 0.00 52.86 52.37 1rg1 s ASN 603 Cb 0.00 -1.89 0.07 0.00 0.41 0.00 0.00 41.25 39.83 1rg1 s ASN 603 CO 0.00 -0.00 0.65 -0.04 -1.51 0.00 0.00 177.10 176.19 1rg1 s MET 604 N -3.54 2.31 -0.22 -0.60 -1.94 -1.26 -0.81 119.30 113.25 1rg1 s MET 604 Ca 0.34 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.57 1rg1 s MET 604 Cb -0.10 -2.46 0.06 0.00 2.01 0.00 0.00 34.83 34.33 1rg1 s MET 604 CO 0.29 -0.74 -0.04 -0.46 -0.01 0.00 0.00 175.02 174.05 1rg1 s TRP 605 N -2.69 2.09 -0.38 -0.03 -0.11 -0.84 -4.99 118.94 112.00 1rg1 s TRP 605 Ca 0.52 -1.51 0.01 0.00 1.22 0.00 0.00 56.10 56.34 1rg1 s TRP 605 Cb -0.05 -1.46 0.12 0.00 -1.50 0.00 0.00 33.47 30.58 1rg1 s TRP 605 CO 0.33 -0.72 0.18 0.08 -4.62 0.00 0.00 176.95 172.19 1rg1 s VAL 606 N 1.50 1.14 0.08 5.86 1.01 -1.26 -0.86 120.40 127.87 1rg1 s VAL 606 Ca -0.04 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 59.60 1rg1 s VAL 606 Cb -0.18 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 1rg1 s VAL 606 CO -0.07 -0.81 1.13 -2.16 0.00 0.00 0.00 175.10 173.20 1rg1 s PRO 607 N 0.91 4.50 0.00 2.72 0.04 -1.26 -5.05 135.00 136.86 1rg1 s PRO 607 Ca 0.14 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1rg1 s PRO 607 Cb -0.21 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1rg1 s PRO 607 CO -0.10 -0.13 0.00 0.43 0.04 0.00 0.00 177.00 177.24