#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqh s PRO 190 N 0.00 2.40 0.14 -1.46 0.04 -1.26 -4.92 135.00 129.94 3kqh s PRO 190 Ca 0.00 1.20 -0.34 0.00 0.04 0.00 0.00 61.00 61.90 3kqh s PRO 190 Cb 0.00 -1.91 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 3kqh s PRO 190 CO 0.00 -1.54 1.16 -2.30 0.04 0.00 0.00 177.00 174.36 3kqh n PRO 191 N -3.28 1.00 -2.44 0.56 -0.02 -1.26 -4.90 135.00 124.65 3kqh n PRO 191 Ca 0.09 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 3kqh n PRO 191 Cb 0.53 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 3kqh n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kqh s ALA 192 N -0.07 3.41 -0.47 3.55 0.00 -1.26 -4.98 121.76 121.95 3kqh s ALA 192 Ca 0.77 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 3kqh s ALA 192 Cb -0.92 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 18.88 3kqh s ALA 192 CO 0.52 -0.22 1.16 0.08 0.00 0.00 0.00 175.76 177.30 3kqh s VAL 193 N -0.92 4.18 0.65 0.00 1.01 -1.26 -5.01 120.40 119.05 3kqh s VAL 193 Ca 0.46 1.21 -0.16 0.00 0.00 0.00 0.00 61.98 63.50 3kqh s VAL 193 Cb -0.32 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.49 3kqh s VAL 193 CO 0.41 -0.98 1.13 -2.16 0.00 0.00 0.00 175.10 173.49 3kqh s PRO 194 N 4.49 2.76 0.14 2.72 0.04 -1.26 -4.96 135.00 138.93 3kqh s PRO 194 Ca 0.49 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 3kqh s PRO 194 Cb -0.08 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3kqh s PRO 194 CO 0.32 -1.29 1.73 1.96 0.04 0.00 0.00 177.00 179.75 3kqh h GLN 195 N 0.14 0.11 -6.71 4.56 1.08 -1.95 -3.43 115.11 108.91 3kqh h GLN 195 Ca -0.47 -0.01 -0.47 0.00 -1.45 0.00 0.00 58.65 56.25 3kqh h GLN 195 Cb 1.26 -0.03 0.04 0.00 -0.05 0.00 0.00 27.48 28.70 3kqh h GLN 195 CO 0.54 0.07 -0.08 0.95 -0.95 0.00 0.00 178.83 179.36 3kqh s THR 196 N -6.18 2.30 0.30 -0.54 -4.23 -1.26 -5.04 115.64 100.98 3kqh s THR 196 Ca -0.13 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.18 3kqh s THR 196 Cb 0.11 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 3kqh s THR 196 CO 0.69 0.00 1.21 0.12 -0.54 0.00 0.00 174.62 176.10 3kqh s PHE 197 N -2.71 3.31 0.07 3.99 5.36 -1.26 -4.81 117.98 121.93 3kqh s PHE 197 Ca 0.61 1.53 -0.20 0.00 -0.96 0.00 0.00 56.93 57.92 3kqh s PHE 197 Cb -0.07 -3.49 0.04 0.00 -0.34 0.00 0.00 43.02 39.17 3kqh s PHE 197 CO 0.39 -1.25 0.46 -0.65 -1.46 0.00 0.00 175.22 172.72 3kqh s GLN 198 N -1.50 1.02 -0.21 10.12 -1.52 -1.12 -5.02 119.66 121.42 3kqh s GLN 198 Ca 0.47 -0.39 -0.02 0.00 -1.95 0.00 0.00 55.36 53.47 3kqh s GLN 198 Cb -0.36 0.46 0.00 0.00 -0.22 0.00 0.00 33.01 32.89 3kqh s GLN 198 CO 0.46 -0.37 -0.09 0.08 -0.25 0.00 0.00 175.29 175.12 3kqh s VAL 199 N -2.80 2.97 0.16 1.09 1.01 -1.26 -1.81 120.40 119.75 3kqh s VAL 199 Ca -0.03 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.39 3kqh s VAL 199 Cb -0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3kqh s VAL 199 CO -0.05 0.44 -0.16 0.00 0.00 0.00 0.00 175.10 175.34 3kqh s ALA 200 N 1.42 2.77 -0.02 5.51 0.00 0.38 -4.96 121.76 126.85 3kqh s ALA 200 Ca 0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 3kqh s ALA 200 Cb -0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3kqh s ALA 200 CO -0.06 0.51 0.14 -1.01 0.00 0.00 0.00 175.76 175.35 3kqh s HIS 201 N -1.47 3.46 -0.44 0.00 3.76 -1.26 -1.23 115.29 118.11 3kqh s HIS 201 Ca 0.21 0.32 0.02 0.00 -0.15 0.00 0.00 55.06 55.46 3kqh s HIS 201 Cb -0.09 -1.81 0.14 0.00 1.11 0.00 0.00 32.58 31.93 3kqh s HIS 201 CO 0.12 0.62 0.25 -1.17 -0.85 0.00 0.00 174.74 173.72 3kqh s LEU 202 N -1.80 2.63 -0.41 0.89 2.96 -0.82 -4.88 118.68 117.25 3kqh s LEU 202 Ca 0.25 -2.68 -0.20 0.00 -0.22 0.00 0.00 54.13 51.28 3kqh s LEU 202 Cb -0.12 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.58 3kqh s LEU 202 CO 0.16 -0.26 0.61 -1.00 -1.32 0.00 0.00 176.35 174.54 3kqh s HIS 203 N 0.30 3.11 -0.17 5.38 3.76 -1.26 -2.26 115.29 124.14 3kqh s HIS 203 Ca 0.19 0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 54.86 3kqh s HIS 203 Cb -0.22 -3.20 0.09 0.00 1.11 0.00 0.00 32.58 30.35 3kqh s HIS 203 CO -0.01 -0.76 0.79 0.00 -0.85 0.00 0.00 174.74 173.91 3kqh s ALA 204 N 2.68 -1.83 1.01 -1.40 0.00 -1.13 -5.04 121.76 116.05 3kqh s ALA 204 Ca 0.22 1.67 -0.15 0.00 0.00 0.00 0.00 51.96 53.70 3kqh s ALA 204 Cb -0.15 -0.69 0.20 0.00 0.00 0.00 0.00 23.12 22.48 3kqh s ALA 204 CO 0.17 -0.33 1.14 -0.35 0.00 0.00 0.00 175.76 176.39 3kqh n PRO 205 N 1.63 -1.22 -2.43 0.00 -0.04 -1.26 -3.61 135.00 128.06 3kqh n PRO 205 Ca -0.15 -1.76 -0.05 0.00 -0.04 0.00 0.00 63.50 61.49 3kqh n PRO 205 Cb 0.56 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 3kqh n PRO 205 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kqh n THR 206 N -3.64-11.62 -1.69 0.52 -1.04 -1.26 -4.77 114.28 90.78 3kqh n THR 206 Ca 0.14 2.43 -0.40 0.00 -2.04 0.00 0.00 64.05 64.19 3kqh n THR 206 Cb 0.50 -6.14 -0.04 0.00 -1.82 0.00 0.00 70.33 62.83 3kqh n THR 206 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqh n GLY 207 N 1.48 2.68 2.09 3.41 0.00 -1.26 -3.99 105.19 109.59 3kqh n GLY 207 Ca -0.37 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3kqh n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqh n SER 208 N 8.75 -1.59 -0.36 1.61 3.41 -1.26 -4.95 113.62 119.23 3kqh n SER 208 Ca 0.49 0.45 -0.02 0.00 -0.26 0.00 0.00 58.87 59.54 3kqh n SER 208 Cb 0.42 1.64 0.11 0.00 -0.26 0.00 0.00 64.21 66.13 3kqh n SER 208 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kqh h GLY 209 N 0.00 1.37 1.63 5.00 0.00 -1.90 -1.05 103.07 108.12 3kqh h GLY 209 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.87 3kqh h GLY 209 CO 0.00 0.47 0.14 0.07 0.00 0.00 0.00 176.54 177.22 3kqh h LYS 210 N 1.28 0.00 -0.01 4.80 2.10 -1.90 0.15 116.57 122.99 3kqh h LYS 210 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3kqh h LYS 210 Cb -0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 3kqh h LYS 210 CO -0.09 0.00 -0.07 -1.13 -2.00 0.00 0.00 179.45 176.16 3kqh n SER 211 N -3.99 1.70 0.09 7.07 3.41 -0.89 -4.56 113.62 116.46 3kqh n SER 211 Ca 0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3kqh n SER 211 Cb 0.26 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3kqh n SER 211 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kqh n THR 212 N 0.34 0.57 0.18 6.66 -2.24 -0.45 -4.76 114.28 114.59 3kqh n THR 212 Ca 0.06 0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.88 3kqh n THR 212 Cb 0.26 -1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 3kqh n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kqh h LYS 213 N 0.00 -0.41 -0.02 -0.78 1.57 -1.03 -0.61 116.57 115.29 3kqh h LYS 213 Ca 0.00 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3kqh h LYS 213 Cb 0.00 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3kqh h LYS 213 CO 0.00 -0.21 -0.34 0.28 -0.57 0.00 0.00 179.45 178.61 3kqh h VAL 214 N -0.51 0.27 -0.58 0.50 2.07 -1.08 0.33 116.25 117.25 3kqh h VAL 214 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3kqh h VAL 214 Cb 0.38 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3kqh h VAL 214 CO 0.07 0.00 0.18 1.55 0.02 0.00 0.00 177.57 179.39 3kqh h PRO 215 N -0.48 0.87 -0.84 1.57 0.13 -1.79 -2.26 132.00 129.20 3kqh h PRO 215 Ca 0.06 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3kqh h PRO 215 Cb 0.58 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 3kqh h PRO 215 CO -0.29 0.76 0.56 0.00 -0.23 0.00 0.00 178.00 178.79 3kqh h ALA 216 N 1.35 1.42 0.41 -0.56 0.00 -0.37 -1.70 119.26 119.81 3kqh h ALA 216 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kqh h ALA 216 Cb 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kqh h ALA 216 CO -0.01 0.52 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 3kqh h ALA 217 N 1.48 -0.55 -0.78 0.00 0.00 -0.41 -2.61 119.26 116.39 3kqh h ALA 217 Ca 0.32 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3kqh h ALA 217 Cb -0.08 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 3kqh h ALA 217 CO -0.08 -0.69 0.33 1.88 0.00 0.00 0.00 179.25 180.69 3kqh h TYR 218 N -0.79 0.57 -0.02 0.00 0.05 -1.17 0.17 116.97 115.79 3kqh h TYR 218 Ca -0.06 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 3kqh h TYR 218 Cb 0.54 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3kqh h TYR 218 CO 0.00 0.08 -0.14 0.00 -1.05 0.00 0.00 178.16 177.05 3kqh h ALA 219 N 1.56 1.74 -0.03 3.88 0.00 -1.26 -1.49 119.26 123.66 3kqh h ALA 219 Ca 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kqh h ALA 219 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kqh h ALA 219 CO -0.40 0.19 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 3kqh h ALA 220 N 1.84 1.53 -0.23 0.00 0.00 -0.26 -1.08 119.26 121.06 3kqh h ALA 220 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kqh h ALA 220 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kqh h ALA 220 CO 0.02 0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.66 3kqh n GLN 221 N -4.22 1.56 -2.46 0.00 6.02 -0.60 -4.88 117.38 112.80 3kqh n GLN 221 Ca -0.02 -0.86 -0.00 0.00 -0.01 0.00 0.00 57.00 56.10 3kqh n GLN 221 Cb 0.32 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3kqh n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqh n GLY 222 N 0.91 0.87 3.57 1.08 0.00 -0.41 -5.07 105.19 106.15 3kqh n GLY 222 Ca 0.09 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 3kqh n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqh s TYR 223 N -2.90 2.73 -0.21 1.61 2.02 -0.98 -5.02 117.35 114.61 3kqh s TYR 223 Ca 0.01 -0.16 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 3kqh s TYR 223 Cb -0.00 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3kqh s TYR 223 CO 0.01 0.42 0.48 0.15 -1.57 0.00 0.00 175.55 175.04 3kqh s LYS 224 N -2.14 4.17 -0.02 -0.62 1.02 -1.26 -4.11 119.74 116.79 3kqh s LYS 224 Ca 0.21 0.34 0.07 0.00 0.02 0.00 0.00 55.97 56.60 3kqh s LYS 224 Cb -0.11 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3kqh s LYS 224 CO 0.13 -0.14 -0.23 0.08 -0.92 0.00 0.00 175.35 174.27 3kqh s VAL 225 N 1.61 1.83 -0.13 3.17 1.01 0.80 -1.27 120.40 127.41 3kqh s VAL 225 Ca 0.22 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3kqh s VAL 225 Cb -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3kqh s VAL 225 CO 0.09 0.52 -0.21 -0.22 0.00 0.00 0.00 175.10 175.28 3kqh s LEU 226 N -0.53 2.03 -0.25 3.92 2.96 -0.53 -0.82 118.68 125.46 3kqh s LEU 226 Ca 0.09 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3kqh s LEU 226 Cb -0.09 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.27 3kqh s LEU 226 CO -0.01 0.08 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.32 3kqh s VAL 227 N 0.79 2.56 -0.15 1.68 1.01 0.12 0.66 120.40 127.07 3kqh s VAL 227 Ca -0.08 -1.27 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 3kqh s VAL 227 Cb -0.16 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3kqh s VAL 227 CO -0.01 0.12 0.13 -0.76 0.00 0.00 0.00 175.10 174.59 3kqh s LEU 228 N 1.24 4.29 -0.03 3.92 1.43 0.41 -1.53 118.68 128.41 3kqh s LEU 228 Ca -0.03 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3kqh s LEU 228 Cb -0.18 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3kqh s LEU 228 CO -0.05 0.33 0.07 0.21 0.23 0.00 0.00 176.35 177.14 3kqh s ASN 229 N -0.53 -0.07 0.40 2.29 3.84 -0.49 -1.24 114.94 119.14 3kqh s ASN 229 Ca 0.12 0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.41 3kqh s ASN 229 Cb -0.12 0.13 0.83 0.00 -0.55 0.00 0.00 41.25 41.54 3kqh s ASN 229 CO 0.02 -0.03 2.02 1.55 -2.79 0.00 0.00 177.10 177.86 3kqh h PRO 230 N 6.16 0.48 -6.44 0.43 0.13 -1.89 -3.01 132.00 127.86 3kqh h PRO 230 Ca -0.26 -0.05 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 3kqh h PRO 230 Cb 1.20 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3kqh h PRO 230 CO 0.46 0.38 0.16 0.45 -0.23 0.00 0.00 178.00 179.22 3kqh s SER 231 N -6.73 7.32 0.02 1.44 0.15 -1.26 -4.70 113.70 109.94 3kqh s SER 231 Ca -0.08 1.57 -0.18 0.00 0.70 0.00 0.00 55.95 57.96 3kqh s SER 231 Cb 0.17 -2.48 -0.25 0.00 -1.71 0.00 0.00 66.02 61.74 3kqh s SER 231 CO 0.73 0.17 1.10 0.58 1.20 0.00 0.00 173.24 177.02 3kqh h VAL 232 N 3.54 1.38 -0.54 4.45 2.07 -2.00 -2.52 116.25 122.63 3kqh h VAL 232 Ca -0.46 -2.24 -0.05 0.00 0.82 0.00 0.00 66.70 64.77 3kqh h VAL 232 Cb 1.21 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 3kqh h VAL 232 CO 0.67 0.66 0.15 0.00 0.02 0.00 0.00 177.57 179.07 3kqh h ALA 233 N 0.30 1.25 -0.22 1.67 0.00 -1.98 -0.04 119.26 120.25 3kqh h ALA 233 Ca -0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3kqh h ALA 233 Cb 1.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3kqh h ALA 233 CO 0.16 0.53 -0.08 0.00 0.00 0.00 0.00 179.25 179.86 3kqh h ALA 234 N 1.38 0.30 -0.57 0.00 0.00 -1.98 0.14 119.26 118.53 3kqh h ALA 234 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kqh h ALA 234 Cb 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3kqh h ALA 234 CO -0.01 0.12 0.38 1.15 0.00 0.00 0.00 179.25 180.89 3kqh h THR 235 N 0.15 1.15 0.00 0.00 2.02 -1.00 -0.27 112.91 114.96 3kqh h THR 235 Ca 0.05 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3kqh h THR 235 Cb 0.56 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3kqh h THR 235 CO 0.03 0.14 -0.46 -0.07 0.37 0.00 0.00 175.52 175.53 3kqh h LEU 236 N 0.77 0.00 -0.77 2.58 3.38 -0.93 -3.00 115.31 117.35 3kqh h LEU 236 Ca 0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 3kqh h LEU 236 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kqh h LEU 236 CO -0.04 0.46 -0.24 1.23 0.09 0.00 0.00 178.44 179.94 3kqh h GLY 237 N 1.53 0.73 2.00 0.83 0.00 0.53 -2.72 103.07 105.97 3kqh h GLY 237 Ca -0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3kqh h GLY 237 CO 0.06 0.56 -0.14 0.74 0.00 0.00 0.00 176.54 177.76 3kqh h PHE 238 N 0.59 0.00 -0.09 5.60 0.04 -0.95 -3.01 116.94 119.11 3kqh h PHE 238 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3kqh h PHE 238 Cb 0.72 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 3kqh h PHE 238 CO 0.03 0.14 0.01 0.78 -0.60 0.00 0.00 178.31 178.68 3kqh h GLY 239 N 1.81 0.17 1.05 -1.45 0.00 -1.49 -1.64 103.07 101.53 3kqh h GLY 239 Ca -0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3kqh h GLY 239 CO 0.02 0.10 0.07 0.00 0.00 0.00 0.00 176.54 176.74 3kqh h ALA 240 N 0.78 0.82 -0.32 3.60 0.00 -1.57 -3.09 119.26 119.48 3kqh h ALA 240 Ca 0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3kqh h ALA 240 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kqh h ALA 240 CO 0.00 0.60 -0.43 -0.92 0.00 0.00 0.00 179.25 178.50 3kqh h TYR 241 N 0.94 0.98 -0.98 0.00 5.03 -1.51 -3.15 116.97 118.29 3kqh h TYR 241 Ca 0.18 -0.30 0.01 0.00 2.58 0.00 0.00 58.73 61.20 3kqh h TYR 241 Cb 0.46 -0.20 -0.05 0.00 1.55 0.00 0.00 36.73 38.49 3kqh h TYR 241 CO 0.03 1.09 0.65 0.52 -1.32 0.00 0.00 178.16 179.14 3kqh h MET 242 N 0.65 1.28 0.58 1.82 2.86 -1.29 0.16 114.93 121.00 3kqh h MET 242 Ca 0.04 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3kqh h MET 242 Cb 1.00 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3kqh h MET 242 CO 0.10 0.85 -0.29 0.77 1.06 0.00 0.00 176.91 179.40 3kqh h SER 243 N 1.32 -0.68 0.38 1.22 0.02 -1.50 0.17 113.55 114.47 3kqh h SER 243 Ca 0.36 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 3kqh h SER 243 Cb -0.15 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3kqh h SER 243 CO -0.08 -0.48 -0.07 0.11 -1.14 0.00 0.00 176.83 175.17 3kqh h LYS 244 N -0.79 0.00 0.05 3.45 1.79 -1.51 0.68 116.57 120.24 3kqh h LYS 244 Ca -0.08 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.06 3kqh h LYS 244 Cb 0.61 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.22 3kqh h LYS 244 CO 0.13 0.07 -1.91 0.00 -1.08 0.00 0.00 179.45 176.66 3kqh n ALA 245 N -2.22 1.24 -0.43 3.86 0.00 0.55 -4.54 120.51 118.97 3kqh n ALA 245 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3kqh n ALA 245 Cb 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3kqh n ALA 245 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kqh n HIS 246 N -3.22 0.00 -3.83 0.00 8.25 0.58 -5.02 115.22 111.97 3kqh n HIS 246 Ca -0.25 -0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 56.65 3kqh n HIS 246 Cb 1.05 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 32.16 3kqh n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqh n GLY 247 N -0.30 -0.40 2.98 -1.41 0.00 0.24 -4.97 105.19 101.33 3kqh n GLY 247 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3kqh n GLY 247 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kqh s ILE 248 N -3.49 -0.58 -0.51 -0.61 -4.36 -1.23 -5.01 121.20 105.41 3kqh s ILE 248 Ca 0.36 -0.00 -0.28 0.00 -0.26 0.00 0.00 60.65 60.47 3kqh s ILE 248 Cb -0.18 -0.75 -0.00 0.00 1.25 0.00 0.00 42.46 42.77 3kqh s ILE 248 CO 0.83 -0.07 1.60 -1.81 0.24 0.00 0.00 174.94 175.73 3kqh s ASP 249 N 2.54 5.89 0.75 4.36 1.11 -1.26 -3.68 116.67 126.38 3kqh s ASP 249 Ca 0.09 0.57 -0.11 0.00 0.18 0.00 0.00 52.55 53.28 3kqh s ASP 249 Cb -0.15 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.35 3kqh s ASP 249 CO -0.14 -1.84 1.08 -2.16 1.18 0.00 0.00 175.17 173.28 3kqh s PRO 250 N 5.85 2.51 0.17 8.23 0.04 -1.26 -4.47 135.00 146.07 3kqh s PRO 250 Ca 0.63 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3kqh s PRO 250 Cb -0.14 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3kqh s PRO 250 CO 0.27 -1.35 0.97 -0.80 0.04 0.00 0.00 177.00 176.13 3kqh s ASN 251 N -3.92 7.54 -0.15 6.66 0.01 0.48 -4.75 114.94 120.80 3kqh s ASN 251 Ca 0.59 1.90 0.02 0.00 -0.71 0.00 0.00 52.86 54.66 3kqh s ASN 251 Cb -0.14 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 38.93 3kqh s ASN 251 CO 0.54 0.01 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.31 3kqh s ILE 252 N -0.54 2.20 -0.19 0.60 -1.09 -0.16 0.13 121.20 122.15 3kqh s ILE 252 Ca 0.45 -0.93 -0.00 0.00 -2.23 0.00 0.00 60.65 57.94 3kqh s ILE 252 Cb -0.25 -1.89 0.05 0.00 -1.58 0.00 0.00 42.46 38.78 3kqh s ILE 252 CO 0.31 0.54 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.38 3kqh s ARG 253 N 0.88 1.48 0.12 2.79 0.52 0.50 0.25 118.95 125.49 3kqh s ARG 253 Ca -0.05 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3kqh s ARG 253 Cb -0.15 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 3kqh s ARG 253 CO -0.03 -0.48 0.12 0.95 0.02 0.00 0.00 175.30 175.88 3kqh s THR 254 N 1.57 0.12 0.24 0.02 -4.23 -0.98 -2.85 115.64 109.54 3kqh s THR 254 Ca -0.01 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 58.81 3kqh s THR 254 Cb -0.16 -1.78 0.23 0.00 1.34 0.00 0.00 72.50 72.13 3kqh s THR 254 CO -0.07 -0.55 1.87 1.23 -0.54 0.00 0.00 174.62 176.56 3kqh h GLY 255 N 2.82 1.34 0.08 3.99 0.00 -1.95 -3.30 103.07 106.05 3kqh h GLY 255 Ca -0.34 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 3kqh h GLY 255 CO 0.57 0.33 -0.04 -0.39 0.00 0.00 0.00 176.54 177.01 3kqh h VAL 256 N 1.08 0.00 -4.13 4.60 -1.51 -2.02 -3.47 116.25 110.80 3kqh h VAL 256 Ca 0.38 -0.18 -0.69 0.00 -1.23 0.00 0.00 66.70 64.97 3kqh h VAL 256 Cb 0.10 0.00 -0.25 0.00 -2.13 0.00 0.00 31.29 29.01 3kqh h VAL 256 CO -0.15 0.00 -0.79 -0.60 -1.23 0.00 0.00 177.57 174.80 3kqh s ARG 257 N -1.97 2.44 0.00 5.19 3.52 -1.24 -5.12 118.95 121.77 3kqh s ARG 257 Ca -0.02 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 3kqh s ARG 257 Cb 0.00 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.06 3kqh s ARG 257 CO 0.05 0.60 -0.19 0.99 -0.81 0.00 0.00 175.30 175.94 3kqh s THR 258 N -0.68 1.54 -0.06 4.11 2.01 -1.26 -2.33 115.64 118.97 3kqh s THR 258 Ca 0.11 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 3kqh s THR 258 Cb -0.11 -1.29 0.04 0.00 0.01 0.00 0.00 72.50 71.15 3kqh s THR 258 CO 0.00 0.36 0.11 -0.63 -0.69 0.00 0.00 174.62 173.77 3kqh s ILE 259 N -0.55 -0.16 -0.11 1.82 1.01 0.14 -4.99 121.20 118.36 3kqh s ILE 259 Ca 0.07 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 3kqh s ILE 259 Cb -0.08 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 3kqh s ILE 259 CO -0.00 0.14 -0.02 -0.89 0.00 0.00 0.00 174.94 174.17 3kqh s THR 260 N 1.96 4.10 0.00 2.92 2.01 -1.26 -0.99 115.64 124.37 3kqh s THR 260 Ca 0.01 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3kqh s THR 260 Cb -0.12 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.65 3kqh s THR 260 CO -0.05 0.56 0.13 0.35 -0.69 0.00 0.00 174.62 174.93 3kqh n THR 261 N 2.65 0.00 -0.51 -0.82 -2.24 -1.26 -4.98 114.28 107.11 3kqh n THR 261 Ca -0.18 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3kqh n THR 261 Cb 0.53 1.61 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 3kqh n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqh n GLY 262 N 0.04 1.19 3.64 3.38 0.00 -1.26 -4.97 105.19 107.21 3kqh n GLY 262 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kqh n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh n ALA 263 N 0.74 -0.31 0.59 4.61 0.00 -1.26 -4.89 120.51 119.99 3kqh n ALA 263 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.24 3kqh n ALA 263 Cb 0.00 -2.16 0.41 0.00 0.00 0.00 0.00 19.45 17.69 3kqh n ALA 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kqh n PRO 264 N -2.61 0.05 -4.97 0.00 -0.04 -1.26 -4.69 135.00 121.48 3kqh n PRO 264 Ca 0.13 0.23 -0.32 0.00 -0.04 0.00 0.00 63.50 63.49 3kqh n PRO 264 Cb 0.50 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 3kqh n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kqh s ILE 265 N -3.06 2.72 -0.06 0.52 1.01 -1.26 -0.14 121.20 120.92 3kqh s ILE 265 Ca 0.08 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3kqh s ILE 265 Cb 0.11 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.52 3kqh s ILE 265 CO 0.36 0.56 -0.12 -0.89 0.00 0.00 0.00 174.94 174.84 3kqh s THR 266 N -0.06 1.13 -0.13 2.92 2.01 0.00 -0.39 115.64 121.13 3kqh s THR 266 Ca -0.04 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 3kqh s THR 266 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 3kqh s THR 266 CO 0.04 0.35 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.00 3kqh s TYR 267 N 0.66 3.09 0.04 4.92 1.51 0.35 -0.70 117.35 127.22 3kqh s TYR 267 Ca -0.14 -0.08 -0.21 0.00 -1.01 0.00 0.00 57.07 55.62 3kqh s TYR 267 Cb -0.16 -1.91 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 3kqh s TYR 267 CO 0.04 0.16 0.50 0.45 -1.11 0.00 0.00 175.55 175.58 3kqh s SER 268 N -0.07 -0.40 0.72 2.29 0.15 -0.58 -0.37 113.70 115.43 3kqh s SER 268 Ca 0.03 0.15 -0.09 0.00 0.70 0.00 0.00 55.95 56.73 3kqh s SER 268 Cb -0.13 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 3kqh s SER 268 CO 0.02 -0.70 1.06 0.42 1.20 0.00 0.00 173.24 175.25 3kqh s THR 269 N -2.40 2.70 0.15 6.45 -4.23 -1.13 -1.40 115.64 115.78 3kqh s THR 269 Ca -0.06 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 3kqh s THR 269 Cb -0.01 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 3kqh s THR 269 CO -0.01 -0.22 1.47 1.88 -0.54 0.00 0.00 174.62 177.20 3kqh h TYR 270 N -0.68 1.02 0.12 3.99 0.05 -1.81 -2.27 116.97 117.40 3kqh h TYR 270 Ca -0.45 -0.33 0.02 0.00 0.05 0.00 0.00 58.73 58.02 3kqh h TYR 270 Cb 1.30 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 3kqh h TYR 270 CO 0.39 1.13 -0.32 0.78 -1.05 0.00 0.00 178.16 179.09 3kqh h GLY 271 N 0.82 -0.61 1.49 3.88 0.00 -1.87 0.11 103.07 106.88 3kqh h GLY 271 Ca 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3kqh h GLY 271 CO 0.10 -0.25 0.20 1.70 0.00 0.00 0.00 176.54 178.30 3kqh h LYS 272 N -0.54 0.67 -0.39 4.80 1.63 -1.87 -1.39 116.57 119.47 3kqh h LYS 272 Ca 0.03 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 3kqh h LYS 272 Cb 0.57 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 3kqh h LYS 272 CO -0.19 0.54 0.23 0.35 -3.45 0.00 0.00 179.45 176.93 3kqh h PHE 273 N 0.67 0.53 -0.36 1.91 3.57 -0.69 -1.44 116.94 121.13 3kqh h PHE 273 Ca 0.16 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3kqh h PHE 273 Cb 0.12 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3kqh h PHE 273 CO 0.01 0.40 0.12 -0.07 -2.23 0.00 0.00 178.31 176.54 3kqh h LEU 274 N 0.51 0.52 -2.25 0.59 3.38 -0.28 -2.11 115.31 115.66 3kqh h LEU 274 Ca 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3kqh h LEU 274 Cb 0.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kqh h LEU 274 CO -0.02 0.57 -0.05 0.00 0.09 0.00 0.00 178.44 179.03 3kqh h ALA 275 N 0.96 1.36 -0.10 1.53 0.00 -1.05 0.54 119.26 122.51 3kqh h ALA 275 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kqh h ALA 275 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kqh h ALA 275 CO -0.01 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 3kqh n ASP 276 N -3.68 0.72 0.00 0.00 8.00 -0.56 -4.87 116.55 116.16 3kqh n ASP 276 Ca -0.02 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3kqh n ASP 276 Cb 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3kqh n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kqh n GLY 277 N 0.85 0.76 1.33 0.44 0.00 0.18 -4.89 105.19 103.87 3kqh n GLY 277 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3kqh n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqh n GLY 278 N -2.28 0.50 3.69 -0.02 0.00 -0.85 -4.93 105.19 101.30 3kqh n GLY 278 Ca 0.00 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3kqh n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh s SER 280 N 1.90 6.70 -0.45 0.00 0.01 -1.26 -4.92 113.70 115.68 3kqh s SER 280 Ca 0.63 1.99 -0.27 0.00 1.31 0.00 0.00 55.95 59.61 3kqh s SER 280 Cb -0.30 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.30 3kqh s SER 280 CO 0.25 -0.53 2.21 -0.83 0.41 0.00 0.00 173.24 174.75 3kqh s GLY 281 N -1.68 -0.03 -0.83 3.44 0.00 -1.26 -3.25 107.32 103.71 3kqh s GLY 281 Ca 0.60 0.05 -0.05 0.00 0.00 0.00 0.00 44.72 45.32 3kqh s GLY 281 CO 0.25 3.86 0.73 0.61 0.00 0.00 0.00 173.10 178.56 3kqh n GLY 282 N 5.85 -0.80 0.03 0.20 0.00 0.35 -4.98 105.19 105.85 3kqh n GLY 282 Ca 0.31 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.71 3kqh n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh n ALA 283 N -2.81 1.85 -2.87 4.61 0.00 -1.20 -5.05 120.51 115.04 3kqh n ALA 283 Ca -0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 3kqh n ALA 283 Cb 0.59 0.20 -0.12 0.00 0.00 0.00 0.00 19.45 20.12 3kqh n ALA 283 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kqh s TYR 284 N -2.14 0.51 -0.12 0.00 1.51 -1.26 -4.86 117.35 110.99 3kqh s TYR 284 Ca -0.05 -0.42 0.17 0.00 -1.01 0.00 0.00 57.07 55.76 3kqh s TYR 284 Cb 0.02 -0.32 -0.20 0.00 -0.11 0.00 0.00 41.96 41.35 3kqh s TYR 284 CO 0.21 -0.09 0.58 -0.25 -1.11 0.00 0.00 175.55 174.89 3kqh n ASP 285 N 1.81 0.56 -3.86 2.29 9.92 -0.40 -3.30 116.55 123.58 3kqh n ASP 285 Ca -0.21 0.25 -0.21 0.00 -0.53 0.00 0.00 54.79 54.09 3kqh n ASP 285 Cb 0.56 0.52 -0.17 0.00 -0.64 0.00 0.00 41.12 41.39 3kqh n ASP 285 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqh s ILE 286 N -2.83 0.53 -0.23 0.53 1.01 -0.87 0.12 121.20 119.45 3kqh s ILE 286 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 3kqh s ILE 286 Cb 0.08 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.99 3kqh s ILE 286 CO 0.83 0.24 -0.09 -0.63 0.00 0.00 0.00 174.94 175.30 3kqh s ILE 287 N 1.26 2.80 -0.27 2.92 1.01 -0.57 -1.46 121.20 126.89 3kqh s ILE 287 Ca -0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3kqh s ILE 287 Cb -0.14 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3kqh s ILE 287 CO -0.02 0.31 0.18 -0.63 0.00 0.00 0.00 174.94 174.78 3kqh s ILE 288 N 1.34 5.28 -0.70 2.92 1.01 0.21 -0.72 121.20 130.55 3kqh s ILE 288 Ca 0.02 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.69 3kqh s ILE 288 Cb -0.15 -3.50 0.18 0.00 0.01 0.00 0.00 42.46 38.99 3kqh s ILE 288 CO -0.06 0.28 0.64 0.00 0.00 0.00 0.00 174.94 175.80 3kqh s ASP 290 N 2.70 6.26 -1.33 0.00 3.68 -0.38 -1.69 116.67 125.91 3kqh s ASP 290 Ca 0.12 1.69 -0.06 0.00 2.13 0.00 0.00 52.55 56.42 3kqh s ASP 290 Cb -0.19 -2.52 0.04 0.00 -1.45 0.00 0.00 42.92 38.80 3kqh s ASP 290 CO -0.04 -0.84 0.42 -0.62 0.13 0.00 0.00 175.17 174.22 3kqh n GLU 291 N -1.74 -3.54 0.00 4.34 -0.58 -0.70 -4.61 120.64 113.80 3kqh n GLU 291 Ca 0.08 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3kqh n GLU 291 Cb 0.53 -5.36 0.00 0.00 -0.57 0.00 0.00 31.44 26.05 3kqh n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqh n HIS 293 N -1.03 0.39 -1.76 0.00 1.44 -1.26 -4.69 115.22 108.31 3kqh n HIS 293 Ca 0.00 0.11 -0.42 0.00 -2.01 0.00 0.00 57.72 55.40 3kqh n HIS 293 Cb 0.02 -0.57 -0.03 0.00 0.12 0.00 0.00 29.99 29.53 3kqh n HIS 293 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3kqh s SER 294 N -3.80 6.41 -0.34 4.39 0.01 0.16 -4.87 113.70 115.66 3kqh s SER 294 Ca 0.09 2.82 0.08 0.00 1.31 0.00 0.00 55.95 60.25 3kqh s SER 294 Cb 0.15 -2.60 0.59 0.00 0.21 0.00 0.00 66.02 64.37 3kqh s SER 294 CO 0.68 -0.95 1.65 0.35 0.41 0.00 0.00 173.24 175.38 3kqh n THR 295 N 4.00 2.79 -2.98 1.44 -2.24 -1.26 -4.51 114.28 111.52 3kqh n THR 295 Ca 0.16 -2.30 -0.32 0.00 -2.27 0.00 0.00 64.05 59.32 3kqh n THR 295 Cb 0.36 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 3kqh n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqh s ASP 296 N -1.94 6.72 0.29 3.42 1.47 -1.26 -4.94 116.67 120.44 3kqh s ASP 296 Ca 0.50 1.31 0.02 0.00 1.18 0.00 0.00 52.55 55.56 3kqh s ASP 296 Cb 0.43 -2.39 0.59 0.00 -0.34 0.00 0.00 42.92 41.21 3kqh s ASP 296 CO 0.05 -0.30 1.84 0.77 0.68 0.00 0.00 175.17 178.21 3kqh h SER 297 N 1.87 0.89 -0.65 2.11 4.64 -1.93 -2.61 113.55 117.87 3kqh h SER 297 Ca -0.48 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.81 3kqh h SER 297 Cb 1.18 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 3kqh h SER 297 CO 0.64 0.47 0.11 0.74 -0.87 0.00 0.00 176.83 177.92 3kqh h THR 298 N 0.96 1.26 -0.15 2.95 2.02 -1.95 -2.15 112.91 115.85 3kqh h THR 298 Ca 0.49 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 3kqh h THR 298 Cb 0.52 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3kqh h THR 298 CO -0.26 0.39 -0.16 0.74 0.37 0.00 0.00 175.52 176.59 3kqh h THR 299 N 1.02 1.35 -0.59 3.16 2.02 -1.81 -0.81 112.91 117.25 3kqh h THR 299 Ca 0.20 -1.33 0.02 0.00 0.77 0.00 0.00 66.41 66.07 3kqh h THR 299 Cb 0.43 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3kqh h THR 299 CO 0.01 0.39 0.36 0.40 0.37 0.00 0.00 175.52 177.06 3kqh h ILE 300 N -0.00 1.08 -0.53 3.11 2.04 -1.47 0.28 117.51 122.03 3kqh h ILE 300 Ca 0.02 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 3kqh h ILE 300 Cb 0.70 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3kqh h ILE 300 CO 0.04 0.13 -0.11 0.25 0.00 0.00 0.00 178.15 178.46 3kqh h LEU 301 N 0.72 1.00 0.39 1.44 6.46 -1.39 -0.70 115.31 123.23 3kqh h LEU 301 Ca 0.23 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3kqh h LEU 301 Cb 0.01 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.67 3kqh h LEU 301 CO -0.09 1.12 -0.19 1.23 -0.62 0.00 0.00 178.44 179.89 3kqh h GLY 302 N 0.87 -0.54 1.10 3.75 0.00 -0.30 -0.53 103.07 107.42 3kqh h GLY 302 Ca 0.14 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 3kqh h GLY 302 CO 0.05 -0.20 0.43 -2.22 0.00 0.00 0.00 176.54 174.60 3kqh h ILE 303 N -0.56 1.25 0.00 2.60 2.04 -0.46 -1.33 117.51 121.05 3kqh h ILE 303 Ca -0.05 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3kqh h ILE 303 Cb 0.42 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3kqh h ILE 303 CO 0.09 0.29 -0.21 1.23 0.00 0.00 0.00 178.15 179.54 3kqh h GLY 304 N 1.19 0.00 1.60 5.37 0.00 -0.91 -0.61 103.07 109.71 3kqh h GLY 304 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.43 3kqh h GLY 304 CO -0.04 0.00 -0.79 -0.84 0.00 0.00 0.00 176.54 174.87 3kqh h THR 305 N 0.00 1.40 -0.05 4.70 2.02 -0.02 -3.00 112.91 117.96 3kqh h THR 305 Ca -0.00 -2.25 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 3kqh h THR 305 Cb 0.40 2.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.02 3kqh h THR 305 CO 0.03 0.67 -0.05 0.58 0.37 0.00 0.00 175.52 177.12 3kqh h VAL 306 N 0.24 1.37 0.00 3.16 2.07 -0.62 -1.90 116.25 120.58 3kqh h VAL 306 Ca -0.04 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3kqh h VAL 306 Cb 1.38 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3kqh h VAL 306 CO 0.13 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.23 3kqh n LEU 307 N -4.75 0.48 -0.03 2.57 4.77 -0.30 0.01 117.00 119.74 3kqh n LEU 307 Ca -0.08 0.71 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 3kqh n LEU 307 Cb 0.29 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 3kqh n LEU 307 CO 0.36 -0.84 -0.78 -0.67 -1.33 0.00 0.00 177.39 174.12 3kqh n ASP 308 N -2.13 1.82 -0.01 -1.43 2.03 -1.13 -4.67 116.55 111.03 3kqh n ASP 308 Ca -0.01 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.34 3kqh n ASP 308 Cb 0.05 1.26 -0.09 0.00 -0.72 0.00 0.00 41.12 41.61 3kqh n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqh n GLN 309 N -2.21 0.63 0.00 -0.67 6.02 -0.72 -4.76 117.38 115.67 3kqh n GLN 309 Ca -0.11 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 3kqh n GLN 309 Cb 0.62 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.60 3kqh n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqh n ALA 310 N -1.98 -0.09 -0.07 -1.58 0.00 0.10 -0.53 120.51 116.36 3kqh n ALA 310 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3kqh n ALA 310 Cb 0.39 0.38 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 3kqh n ALA 310 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kqh h GLU 311 N 0.00 -0.37 -0.83 0.00 4.81 -1.82 -1.04 114.58 115.33 3kqh h GLU 311 Ca 0.00 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3kqh h GLU 311 Cb 0.00 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3kqh h GLU 311 CO 0.00 -0.25 0.54 1.15 -0.73 0.00 0.00 179.01 179.72 3kqh h THR 312 N -0.38 0.89 0.00 0.32 2.02 -1.83 0.15 112.91 114.08 3kqh h THR 312 Ca 0.12 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kqh h THR 312 Cb 0.59 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3kqh h THR 312 CO -0.49 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.52 3kqh n ALA 313 N -2.45 1.80 0.00 6.16 0.00 0.31 -4.85 120.51 121.49 3kqh n ALA 313 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3kqh n ALA 313 Cb 0.40 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3kqh n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqh n GLY 314 N 0.06 1.80 3.58 0.00 0.00 0.52 0.13 105.19 111.29 3kqh n GLY 314 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3kqh n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh n ALA 315 N -1.59 -0.10 -0.02 4.61 0.00 -1.01 -4.82 120.51 117.58 3kqh n ALA 315 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.64 3kqh n ALA 315 Cb 0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 17.25 3kqh n ALA 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqh n ARG 316 N -0.27 0.64 -3.65 0.00 5.12 0.31 -4.43 116.66 114.39 3kqh n ARG 316 Ca 0.11 -0.17 -0.15 0.00 -1.93 0.00 0.00 57.85 55.71 3kqh n ARG 316 Cb 0.43 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.17 3kqh n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3kqh s LEU 317 N -4.51 -0.23 -0.07 0.55 2.96 -0.43 -2.81 118.68 114.14 3kqh s LEU 317 Ca -0.08 0.98 0.05 0.00 -0.22 0.00 0.00 54.13 54.87 3kqh s LEU 317 Cb 0.13 2.06 -0.01 0.00 0.50 0.00 0.00 46.19 48.87 3kqh s LEU 317 CO 0.85 -0.31 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.64 3kqh s VAL 318 N -0.16 2.19 -0.21 1.68 1.01 -0.75 -1.51 120.40 122.64 3kqh s VAL 318 Ca -0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 3kqh s VAL 318 Cb -0.03 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3kqh s VAL 318 CO 0.03 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.89 3kqh s VAL 319 N -0.08 2.58 -0.89 2.92 1.01 0.10 -0.47 120.40 125.57 3kqh s VAL 319 Ca -0.06 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 3kqh s VAL 319 Cb -0.14 -2.20 0.21 0.00 0.00 0.00 0.00 36.38 34.24 3kqh s VAL 319 CO 0.04 0.38 0.89 -0.76 0.00 0.00 0.00 175.10 175.65 3kqh s LEU 320 N 1.33 6.34 -0.05 3.92 1.43 -0.36 0.69 118.68 131.97 3kqh s LEU 320 Ca 0.03 -2.66 -0.14 0.00 -1.03 0.00 0.00 54.13 50.33 3kqh s LEU 320 Cb -0.15 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 3kqh s LEU 320 CO -0.08 -0.65 0.36 0.00 0.23 0.00 0.00 176.35 176.21 3kqh s ALA 321 N 0.56 3.69 -0.14 4.21 0.00 -0.68 -1.95 121.76 127.44 3kqh s ALA 321 Ca 0.23 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 3kqh s ALA 321 Cb -0.09 -2.35 0.10 0.00 0.00 0.00 0.00 23.12 20.78 3kqh s ALA 321 CO -0.09 0.40 0.87 -0.08 0.00 0.00 0.00 175.76 176.86 3kqh s THR 322 N -0.68 0.00 -0.74 0.00 -1.32 -0.96 -1.72 115.64 110.22 3kqh s THR 322 Ca 0.22 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.93 3kqh s THR 322 Cb -0.15 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.78 3kqh s THR 322 CO 0.10 0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.69 3kqh n ALA 323 N 1.06 3.44 -3.53 11.08 0.00 -1.24 -2.85 120.51 128.47 3kqh n ALA 323 Ca -0.14 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3kqh n ALA 323 Cb 0.57 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 3kqh n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kqh n THR 324 N -1.85 0.55 -0.68 0.00 -2.24 -1.26 -4.67 114.28 104.13 3kqh n THR 324 Ca 0.03 -4.37 -0.32 0.00 -2.27 0.00 0.00 64.05 57.12 3kqh n THR 324 Cb 0.40 -1.97 0.17 0.00 -2.10 0.00 0.00 70.33 66.83 3kqh n THR 324 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kqh n PRO 325 N 1.89 -1.19 -1.75 -0.78 -0.02 -1.26 -4.81 135.00 127.07 3kqh n PRO 325 Ca 0.25 -0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 3kqh n PRO 325 Cb 0.43 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 3kqh n PRO 325 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kqh s PRO 326 N -3.83 4.10 0.00 0.52 0.02 -1.26 -2.53 135.00 132.03 3kqh s PRO 326 Ca 0.60 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.23 3kqh s PRO 326 Cb -0.19 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3kqh s PRO 326 CO 0.65 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 3kqh n GLY 327 N 2.11 0.69 3.86 0.52 0.00 0.37 -4.96 105.19 107.78 3kqh n GLY 327 Ca 0.08 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 3kqh n GLY 327 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqh s SER 328 N -2.73 6.52 -0.03 1.61 0.01 -1.05 -4.83 113.70 113.20 3kqh s SER 328 Ca 0.00 1.31 0.01 0.00 1.31 0.00 0.00 55.95 58.58 3kqh s SER 328 Cb 0.00 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.85 3kqh s SER 328 CO 0.00 -0.51 -0.05 0.68 0.41 0.00 0.00 173.24 173.76 3kqh s VAL 329 N -2.55 0.54 0.19 3.43 -7.23 -1.26 -3.45 120.40 110.07 3kqh s VAL 329 Ca 0.54 -0.17 -0.33 0.00 -1.81 0.00 0.00 61.98 60.22 3kqh s VAL 329 Cb -0.10 -0.54 -0.15 0.00 0.56 0.00 0.00 36.38 36.15 3kqh s VAL 329 CO 0.34 0.21 1.28 0.41 -0.31 0.00 0.00 175.10 177.02 3kqh n THR 330 N 3.76 0.80 -4.72 5.32 -1.04 -1.26 -4.99 114.28 112.14 3kqh n THR 330 Ca -0.23 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.05 61.27 3kqh n THR 330 Cb 0.52 -1.08 -0.13 0.00 -1.82 0.00 0.00 70.33 67.83 3kqh n THR 330 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kqh s VAL 331 N -0.04 2.74 0.09 12.58 1.01 -1.26 -5.08 120.40 130.44 3kqh s VAL 331 Ca 0.73 -1.15 -0.35 0.00 0.00 0.00 0.00 61.98 61.20 3kqh s VAL 331 Cb -0.79 -2.14 -0.15 0.00 0.00 0.00 0.00 36.38 33.31 3kqh s VAL 331 CO 0.50 0.37 1.54 -2.65 0.00 0.00 0.00 175.10 174.86 3kqh n PRO 332 N 1.67 1.76 -3.40 2.72 -0.02 -1.26 -4.95 135.00 131.51 3kqh n PRO 332 Ca -0.16 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 3kqh n PRO 332 Cb 0.52 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3kqh n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqh s HIS 333 N 1.22 3.66 0.02 6.00 2.46 -1.26 -5.03 115.29 122.36 3kqh s HIS 333 Ca 0.83 0.98 -0.06 0.00 0.47 0.00 0.00 55.06 57.28 3kqh s HIS 333 Cb -0.80 -2.41 -0.02 0.00 -0.13 0.00 0.00 32.58 29.22 3kqh s HIS 333 CO 0.44 0.46 1.10 -1.35 -2.47 0.00 0.00 174.74 172.91 3kqh h PRO 334 N 5.45 -0.08 0.00 2.88 0.11 -1.96 -1.94 132.00 136.46 3kqh h PRO 334 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kqh h PRO 334 Cb 1.20 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kqh h PRO 334 CO 0.67 -0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.50 3kqh n ASN 335 N -3.16 0.00 -4.17 -2.05 3.02 -1.26 -4.73 115.26 102.91 3kqh n ASN 335 Ca -0.01 -1.17 -0.28 0.00 -0.03 0.00 0.00 54.58 53.09 3kqh n ASN 335 Cb 0.06 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.07 3kqh n ASN 335 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kqh s ILE 336 N -2.00 1.63 -0.23 2.41 1.01 -0.73 0.18 121.20 123.47 3kqh s ILE 336 Ca 0.03 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3kqh s ILE 336 Cb 0.02 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 41.14 3kqh s ILE 336 CO 0.03 0.46 -0.10 -0.70 0.00 0.00 0.00 174.94 174.63 3kqh s GLU 337 N 0.00 2.13 0.19 2.79 2.12 -0.69 -4.39 118.70 120.85 3kqh s GLU 337 Ca -0.05 -1.11 -0.29 0.00 0.36 0.00 0.00 54.97 53.89 3kqh s GLU 337 Cb -0.12 -2.69 -0.08 0.00 0.26 0.00 0.00 34.13 31.49 3kqh s GLU 337 CO 0.03 -0.51 0.90 -1.21 -0.54 0.00 0.00 175.26 173.93 3kqh s GLU 338 N 1.25 4.74 -0.03 4.30 2.02 -1.26 -2.01 118.70 127.71 3kqh s GLU 338 Ca -0.05 1.39 -0.01 0.00 0.02 0.00 0.00 54.97 56.32 3kqh s GLU 338 Cb -0.18 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.78 3kqh s GLU 338 CO -0.07 0.46 0.06 0.08 0.02 0.00 0.00 175.26 175.81 3kqh s VAL 339 N -0.87 -0.06 0.93 2.63 1.01 0.75 -4.90 120.40 119.88 3kqh s VAL 339 Ca 0.41 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 3kqh s VAL 339 Cb -0.25 -0.12 0.15 0.00 0.00 0.00 0.00 36.38 36.16 3kqh s VAL 339 CO 0.30 0.09 1.13 0.00 0.00 0.00 0.00 175.10 176.62 3kqh s ALA 340 N 1.15 1.65 0.36 5.51 0.00 -1.26 -2.69 121.76 126.48 3kqh s ALA 340 Ca -0.08 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.43 3kqh s ALA 340 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3kqh s ALA 340 CO -0.04 -2.39 0.16 -0.51 0.00 0.00 0.00 175.76 172.98 3kqh s LEU 341 N -6.11 3.22 0.00 0.00 1.43 -1.00 -4.79 118.68 111.44 3kqh s LEU 341 Ca 0.64 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3kqh s LEU 341 Cb -0.15 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 3kqh s LEU 341 CO 0.54 -0.38 0.26 -1.54 0.23 0.00 0.00 176.35 175.46 3kqh n SER 342 N -1.19 -0.71 0.25 2.29 3.41 -1.26 -4.98 113.62 111.42 3kqh n SER 342 Ca -0.02 -2.22 0.16 0.00 -0.26 0.00 0.00 58.87 56.53 3kqh n SER 342 Cb 0.62 1.39 0.70 0.00 -0.26 0.00 0.00 64.21 66.66 3kqh n SER 342 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kqh h SER 343 N 1.23 0.00 -2.02 4.04 0.02 -1.89 -1.81 113.55 113.12 3kqh h SER 343 Ca -0.16 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.28 3kqh h SER 343 Cb 0.73 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3kqh h SER 343 CO 0.22 0.00 1.43 -0.89 -1.14 0.00 0.00 176.83 176.45 3kqh s THR 344 N -3.64 3.25 0.00 -2.27 2.01 -1.26 -4.56 115.64 109.18 3kqh s THR 344 Ca 0.01 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3kqh s THR 344 Cb 0.09 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3kqh s THR 344 CO 0.48 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3kqh n GLY 345 N 5.73 2.42 0.43 4.40 0.00 -1.26 -4.16 105.19 112.75 3kqh n GLY 345 Ca 0.26 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.59 3kqh n GLY 345 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kqh n GLU 346 N -0.70 1.19 -4.03 1.61 0.00 -1.23 -4.75 120.64 112.74 3kqh n GLU 346 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 57.16 55.96 3kqh n GLU 346 Cb 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 31.44 29.84 3kqh n GLU 346 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kqh s ILE 347 N -2.44 2.04 0.33 3.84 -1.09 -1.17 -4.95 121.20 117.76 3kqh s ILE 347 Ca 0.17 -1.71 -0.29 0.00 -2.23 0.00 0.00 60.65 56.59 3kqh s ILE 347 Cb 0.17 -2.26 -0.11 0.00 -1.58 0.00 0.00 42.46 38.68 3kqh s ILE 347 CO 0.58 -0.18 1.45 -2.84 -1.23 0.00 0.00 174.94 172.71 3kqh s PRO 348 N 1.13 4.20 0.00 2.79 0.02 -1.26 0.81 135.00 142.69 3kqh s PRO 348 Ca -0.04 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3kqh s PRO 348 Cb -0.20 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3kqh s PRO 348 CO -0.06 -0.44 0.00 0.34 -0.33 0.00 0.00 177.00 176.51 3kqh n PHE 349 N 1.11 0.00 -3.21 6.54 7.35 0.03 -4.85 117.46 124.44 3kqh n PHE 349 Ca 0.03 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.46 3kqh n PHE 349 Cb 0.40 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.17 3kqh n PHE 349 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3kqh n TYR 350 N 0.00 2.54 0.00 -5.13 4.02 -1.26 -4.76 117.16 112.57 3kqh n TYR 350 Ca 0.00 -3.96 0.00 0.00 -0.01 0.00 0.00 57.90 53.93 3kqh n TYR 350 Cb 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 3kqh n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kqh n GLY 351 N 0.58 1.71 0.00 2.72 0.00 -1.26 -5.02 105.19 103.92 3kqh n GLY 351 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3kqh n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqh n LYS 352 N -1.50 2.01 -3.99 1.61 4.01 -1.26 -4.87 118.16 114.18 3kqh n LYS 352 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 3kqh n LYS 352 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 3kqh n LYS 352 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqh s ALA 353 N -2.00 0.16 -0.19 7.82 0.00 -0.68 -0.79 121.76 126.08 3kqh s ALA 353 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3kqh s ALA 353 Cb 0.00 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.95 3kqh s ALA 353 CO 0.00 -0.59 -0.15 0.42 0.00 0.00 0.00 175.76 175.44 3kqh s ILE 354 N -3.97 1.86 0.24 0.00 1.01 0.24 -4.38 121.20 116.20 3kqh s ILE 354 Ca 0.17 -0.97 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 3kqh s ILE 354 Cb 0.04 -1.79 -0.13 0.00 0.01 0.00 0.00 42.46 40.59 3kqh s ILE 354 CO -0.01 0.36 1.43 -2.65 0.00 0.00 0.00 174.94 174.07 3kqh n PRO 355 N 4.65 2.07 -0.24 2.79 -0.02 -1.26 -3.03 135.00 139.96 3kqh n PRO 355 Ca -0.18 0.74 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3kqh n PRO 355 Cb 0.48 -2.41 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 3kqh n PRO 355 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kqh h ILE 356 N 3.11 1.07 0.00 4.25 6.09 -1.96 -2.05 117.51 128.02 3kqh h ILE 356 Ca -0.45 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 62.72 3kqh h ILE 356 Cb 1.27 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 3kqh h ILE 356 CO 0.77 0.15 -0.20 1.05 -3.07 0.00 0.00 178.15 176.85 3kqh h GLU 357 N 0.80 0.00 -0.08 2.19 -0.00 -1.97 -0.20 114.58 115.33 3kqh h GLU 357 Ca 0.28 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.66 3kqh h GLU 357 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.80 3kqh h GLU 357 CO -0.12 0.20 0.06 1.15 -0.00 0.00 0.00 179.01 180.30 3kqh h THR 358 N 0.00 0.77 0.00 -1.06 2.02 -1.74 -2.54 112.91 110.37 3kqh h THR 358 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kqh h THR 358 Cb 0.67 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3kqh h THR 358 CO 0.03 0.00 -0.17 2.30 0.37 0.00 0.00 175.52 178.04 3kqh n ILE 359 N -4.23 0.70 0.05 3.11 -5.35 -1.09 -4.87 119.36 107.68 3kqh n ILE 359 Ca -0.01 -0.81 -0.13 0.00 -0.27 0.00 0.00 62.75 61.52 3kqh n ILE 359 Cb 0.17 0.39 -0.07 0.00 -1.74 0.00 0.00 39.64 38.39 3kqh n ILE 359 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3kqh h LYS 360 N 0.00 -0.55 -5.67 6.28 3.64 -0.58 -3.44 116.57 116.26 3kqh h LYS 360 Ca 0.00 0.04 -0.52 0.00 -1.27 0.00 0.00 60.65 58.90 3kqh h LYS 360 Cb 1.05 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 3kqh h LYS 360 CO 0.00 -0.36 -0.69 0.20 -2.27 0.00 0.00 179.45 176.32 3kqh s GLY 361 N -2.44 1.83 0.00 5.01 0.00 -1.26 -4.94 107.32 105.52 3kqh s GLY 361 Ca -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.67 3kqh s GLY 361 CO 0.64 -1.87 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3kqh n GLY 362 N -0.59 -3.36 3.58 0.20 0.00 -1.26 -4.92 105.19 98.85 3kqh n GLY 362 Ca -0.06 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 3kqh n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqh s ARG 363 N -0.78 3.92 0.18 1.61 0.52 -1.26 -1.76 118.95 121.38 3kqh s ARG 363 Ca 0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 55.73 54.93 3kqh s ARG 363 Cb 0.00 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 3kqh s ARG 363 CO 0.00 -0.07 -0.13 -1.01 0.02 0.00 0.00 175.30 174.11 3kqh s HIS 364 N 1.39 1.56 -0.16 -0.53 3.76 0.09 -0.19 115.29 121.21 3kqh s HIS 364 Ca 0.07 -0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3kqh s HIS 364 Cb -0.15 -0.75 0.04 0.00 1.11 0.00 0.00 32.58 32.83 3kqh s HIS 364 CO 0.07 0.26 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.99 3kqh s LEU 365 N -3.17 1.54 -0.20 0.89 2.96 -0.94 -1.06 118.68 118.69 3kqh s LEU 365 Ca 0.19 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3kqh s LEU 365 Cb -0.00 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 3kqh s LEU 365 CO 0.05 -0.17 0.03 -0.63 -1.32 0.00 0.00 176.35 174.31 3kqh s ILE 366 N 1.64 4.24 -0.26 6.68 -1.09 0.41 -0.92 121.20 131.91 3kqh s ILE 366 Ca 0.02 -0.21 -0.10 0.00 -2.23 0.00 0.00 60.65 58.12 3kqh s ILE 366 Cb -0.15 -2.93 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 3kqh s ILE 366 CO -0.08 0.42 0.16 -0.36 -1.23 0.00 0.00 174.94 173.85 3kqh s PHE 367 N 0.90 3.25 0.20 3.97 2.99 0.16 -1.03 117.98 128.42 3kqh s PHE 367 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 56.93 57.17 3kqh s PHE 367 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 43.02 40.52 3kqh s PHE 367 CO 0.02 -0.08 -0.21 0.00 -0.00 0.00 0.00 175.22 174.96 3kqh h HIS 369 N 3.06 0.63 -2.92 0.00 2.07 -1.88 -3.40 115.15 112.72 3kqh h HIS 369 Ca -0.46 -0.46 -0.62 0.00 -2.85 0.00 0.00 60.37 55.98 3kqh h HIS 369 Cb 1.21 -0.03 -0.05 0.00 2.57 0.00 0.00 27.41 31.12 3kqh h HIS 369 CO 0.69 1.40 -0.44 -1.54 -3.07 0.00 0.00 177.93 174.98 3kqh s SER 370 N -7.12 6.42 0.34 3.10 1.04 -1.26 -4.75 113.70 111.47 3kqh s SER 370 Ca -0.13 0.42 0.13 0.00 0.48 0.00 0.00 55.95 56.84 3kqh s SER 370 Cb 0.02 -2.03 0.60 0.00 0.10 0.00 0.00 66.02 64.71 3kqh s SER 370 CO 0.85 0.20 1.74 0.50 0.98 0.00 0.00 173.24 177.51 3kqh h LYS 371 N 3.49 0.00 -0.02 4.02 3.64 -1.99 -2.82 116.57 122.90 3kqh h LYS 371 Ca -0.48 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.64 3kqh h LYS 371 Cb 1.18 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3kqh h LYS 371 CO 0.71 0.46 -1.01 1.57 -2.27 0.00 0.00 179.45 178.91 3kqh h LYS 372 N 0.00 0.72 0.00 1.90 -0.00 -2.00 -3.03 116.57 114.16 3kqh h LYS 372 Ca -0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 60.65 59.90 3kqh h LYS 372 Cb 0.85 0.21 0.00 0.00 -0.00 0.00 0.00 32.23 33.29 3kqh h LYS 372 CO 0.06 1.32 0.00 -0.22 -0.00 0.00 0.00 179.45 180.61 3kqh h LYS 373 N 0.42 0.00 -0.25 0.07 3.64 -1.96 -1.49 116.57 117.00 3kqh h LYS 373 Ca -0.12 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.06 3kqh h LYS 373 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3kqh h LYS 373 CO 0.20 0.00 -0.62 0.00 -2.27 0.00 0.00 179.45 176.76 3kqh h ASP 375 N 0.64 0.00 0.40 0.00 3.45 -1.35 -1.68 116.42 117.89 3kqh h ASP 375 Ca -0.01 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 3kqh h ASP 375 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3kqh h ASP 375 CO 0.14 0.50 -0.19 -0.33 -1.57 0.00 0.00 179.24 177.78 3kqh h GLU 376 N 0.00 -0.52 -0.59 3.56 5.08 -1.14 -1.24 114.58 119.73 3kqh h GLU 376 Ca -0.00 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3kqh h GLU 376 Cb 1.09 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 3kqh h GLU 376 CO 0.06 -0.35 0.19 1.25 -1.00 0.00 0.00 179.01 179.16 3kqh h LEU 377 N -1.12 0.14 -1.35 1.33 5.85 -1.14 0.87 115.31 119.88 3kqh h LEU 377 Ca -0.06 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kqh h LEU 377 Cb 0.42 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3kqh h LEU 377 CO 0.09 0.09 0.12 0.00 -0.34 0.00 0.00 178.44 178.40 3kqh h ALA 378 N 1.43 1.49 0.52 1.25 0.00 -1.39 -2.22 119.26 120.33 3kqh h ALA 378 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kqh h ALA 378 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kqh h ALA 378 CO -0.33 0.39 -0.26 0.00 0.00 0.00 0.00 179.25 179.05 3kqh h ALA 379 N 1.58 -0.70 0.72 0.00 0.00 0.41 -0.52 119.26 120.75 3kqh h ALA 379 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kqh h ALA 379 Cb 0.17 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kqh h ALA 379 CO -0.01 -0.90 -0.50 -0.22 0.00 0.00 0.00 179.25 177.62 3kqh h LYS 380 N -0.70 -1.12 -0.54 0.00 1.63 -1.13 0.20 116.57 114.90 3kqh h LYS 380 Ca -0.07 0.08 0.11 0.00 -0.85 0.00 0.00 60.65 59.91 3kqh h LYS 380 Cb 0.54 0.26 -0.10 0.00 -0.60 0.00 0.00 32.23 32.33 3kqh h LYS 380 CO 0.11 -0.75 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.18 3kqh h LEU 381 N -1.17 -0.45 -1.36 5.20 3.38 -1.43 0.33 115.31 119.82 3kqh h LEU 381 Ca -0.10 0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3kqh h LEU 381 Cb 0.95 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3kqh h LEU 381 CO 0.06 -0.16 -0.21 -1.28 0.09 0.00 0.00 178.44 176.93 3kqh h SER 382 N 0.02 0.15 -0.10 -0.43 0.87 -0.96 -1.57 113.55 111.53 3kqh h SER 382 Ca 0.26 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 3kqh h SER 382 Cb 0.40 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3kqh h SER 382 CO -0.53 0.38 -0.20 1.23 -0.53 0.00 0.00 176.83 177.18 3kqh h GLY 383 N 0.83 0.54 -1.94 5.77 0.00 0.28 -2.43 103.07 106.13 3kqh h GLY 383 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kqh h GLY 383 CO 0.03 0.38 0.00 1.04 0.00 0.00 0.00 176.54 178.00 3kqh n LEU 384 N -4.15 2.67 0.00 3.11 4.32 0.32 -4.77 117.00 118.50 3kqh n LEU 384 Ca 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 56.01 54.65 3kqh n LEU 384 Cb 0.37 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 3kqh n LEU 384 CO 0.41 0.45 0.00 0.61 -1.22 0.00 0.00 177.39 177.65 3kqh n GLY 385 N 0.50 2.53 3.71 -0.72 0.00 -0.91 -4.98 105.19 105.31 3kqh n GLY 385 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kqh n GLY 385 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqh n LEU 386 N 0.00 5.54 -4.44 0.99 4.77 -0.99 -4.92 117.00 117.96 3kqh n LEU 386 Ca 0.00 0.80 -0.44 0.00 -0.03 0.00 0.00 56.01 56.34 3kqh n LEU 386 Cb 0.00 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 39.56 3kqh n LEU 386 CO 0.00 -1.20 1.20 0.21 -1.33 0.00 0.00 177.39 176.27 3kqh s ASN 387 N -1.42 7.02 -0.06 -1.43 3.04 -1.26 -3.90 114.94 116.93 3kqh s ASN 387 Ca 0.81 -2.92 0.03 0.00 0.04 0.00 0.00 52.86 50.83 3kqh s ASN 387 Cb -0.38 -2.37 -0.02 0.00 -1.54 0.00 0.00 41.25 36.94 3kqh s ASN 387 CO 0.42 -0.72 -0.14 0.00 -3.04 0.00 0.00 177.10 173.61 3kqh s ALA 388 N 1.29 2.65 0.09 1.71 0.00 -1.26 -0.91 121.76 125.33 3kqh s ALA 388 Ca 0.38 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.41 3kqh s ALA 388 Cb -0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3kqh s ALA 388 CO -0.03 0.52 -0.11 0.14 0.00 0.00 0.00 175.76 176.28 3kqh s VAL 389 N -0.60 1.00 0.06 0.00 -7.23 0.30 -4.68 120.40 109.25 3kqh s VAL 389 Ca 0.09 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 3kqh s VAL 389 Cb -0.11 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 3kqh s VAL 389 CO 0.01 -0.48 0.08 0.00 -0.31 0.00 0.00 175.10 174.40 3kqh s ALA 390 N -2.17 3.58 -0.04 1.32 0.00 -1.26 -1.01 121.76 122.18 3kqh s ALA 390 Ca 0.04 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3kqh s ALA 390 Cb -0.05 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.61 3kqh s ALA 390 CO 0.01 0.74 0.15 -0.47 0.00 0.00 0.00 175.76 176.19 3kqh s TYR 391 N -1.35 -0.09 0.02 0.00 5.04 -0.88 -4.92 117.35 115.18 3kqh s TYR 391 Ca 0.28 0.20 -0.28 0.00 -2.44 0.00 0.00 57.07 54.83 3kqh s TYR 391 Cb -0.12 0.01 0.10 0.00 0.35 0.00 0.00 41.96 42.30 3kqh s TYR 391 CO 0.21 -0.16 1.23 1.52 -1.34 0.00 0.00 175.55 177.01 3kqh s TYR 392 N -0.48 0.00 -0.25 4.97 -0.85 -1.26 -2.65 117.35 116.83 3kqh s TYR 392 Ca -0.06 -0.16 -0.33 0.00 -0.52 0.00 0.00 57.07 55.99 3kqh s TYR 392 Cb -0.04 0.58 -0.10 0.00 0.38 0.00 0.00 41.96 42.78 3kqh s TYR 392 CO 0.01 -0.40 2.10 -2.13 -1.52 0.00 0.00 175.55 173.61 3kqh n ARG 393 N -0.70 1.58 0.00 -3.49 0.63 -1.26 -2.23 116.66 111.19 3kqh n ARG 393 Ca -0.02 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 3kqh n ARG 393 Cb 0.60 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.83 3kqh n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kqh n GLY 394 N 5.71 3.37 3.77 5.14 0.00 -1.26 -5.10 105.19 116.81 3kqh n GLY 394 Ca 0.33 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3kqh n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqh s LEU 395 N 0.00 4.18 0.42 0.99 1.43 -0.95 -5.01 118.68 119.74 3kqh s LEU 395 Ca 0.00 2.40 -0.22 0.00 -1.03 0.00 0.00 54.13 55.28 3kqh s LEU 395 Cb 0.00 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.09 3kqh s LEU 395 CO 0.00 -0.74 0.97 1.51 0.23 0.00 0.00 176.35 178.32 3kqh s ASP 396 N -1.08 6.91 0.55 2.29 1.47 -1.26 -4.78 116.67 120.77 3kqh s ASP 396 Ca 0.58 1.78 0.22 0.00 1.18 0.00 0.00 52.55 56.31 3kqh s ASP 396 Cb -0.32 -2.55 1.47 0.00 -0.34 0.00 0.00 42.92 41.18 3kqh s ASP 396 CO 0.40 -0.38 2.15 0.58 0.68 0.00 0.00 175.17 178.60 3kqh h VAL 397 N 2.01 0.78 0.00 2.11 2.07 -1.95 -2.44 116.25 118.83 3kqh h VAL 397 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kqh h VAL 397 Cb 1.19 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3kqh h VAL 397 CO 0.62 0.00 0.21 -1.54 0.02 0.00 0.00 177.57 176.88 3kqh n SER 398 N -4.25 0.28 -0.02 0.57 3.41 -1.26 -1.35 113.62 111.00 3kqh n SER 398 Ca -0.01 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.09 3kqh n SER 398 Cb 0.18 -0.51 0.19 0.00 -0.26 0.00 0.00 64.21 63.81 3kqh n SER 398 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kqh h VAL 399 N 0.00 1.25 -3.33 -3.33 2.07 -1.83 -3.41 116.25 107.67 3kqh h VAL 399 Ca 0.00 -1.19 -0.60 0.00 0.82 0.00 0.00 66.70 65.74 3kqh h VAL 399 Cb 0.42 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.32 3kqh h VAL 399 CO 0.00 0.39 0.39 -0.63 0.02 0.00 0.00 177.57 177.74 3kqh s ILE 400 N -4.64 4.88 0.04 4.57 1.01 -0.46 -5.01 121.20 121.60 3kqh s ILE 400 Ca -0.08 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 3kqh s ILE 400 Cb 0.14 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 3kqh s ILE 400 CO 0.80 -0.04 1.80 -2.16 0.00 0.00 0.00 174.94 175.34 3kqh s PRO 401 N 2.66 4.16 0.35 2.79 0.04 -1.26 -4.86 135.00 138.88 3kqh s PRO 401 Ca 0.33 2.45 0.23 0.00 0.04 0.00 0.00 61.00 64.05 3kqh s PRO 401 Cb -0.15 -3.89 1.25 0.00 0.04 0.00 0.00 34.50 31.75 3kqh s PRO 401 CO 0.08 -0.86 1.70 1.15 0.04 0.00 0.00 177.00 179.11 3kqh h THR 402 N 5.26 0.00 -3.87 1.26 2.02 -1.95 -3.43 112.91 112.20 3kqh h THR 402 Ca -0.45 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 3kqh h THR 402 Cb 1.21 0.51 -0.12 0.00 -1.74 0.00 0.00 68.15 68.02 3kqh h THR 402 CO 0.94 0.00 -0.28 -0.94 0.37 0.00 0.00 175.52 175.61 3kqh s SER 403 N -4.09 0.00 0.00 4.18 1.04 -1.26 -5.07 113.70 108.50 3kqh s SER 403 Ca -0.03 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.48 3kqh s SER 403 Cb 0.07 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3kqh s SER 403 CO 0.21 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3kqh n GLY 404 N -0.27 -1.42 3.69 7.32 0.00 -1.26 -4.92 105.19 108.32 3kqh n GLY 404 Ca -0.05 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 3kqh n GLY 404 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqh n ASP 405 N -1.70 2.66 -3.61 1.61 10.43 -1.26 -4.65 116.55 120.03 3kqh n ASP 405 Ca 0.00 1.20 -0.06 0.00 2.57 0.00 0.00 54.79 58.50 3kqh n ASP 405 Cb 0.00 -1.46 -0.05 0.00 1.84 0.00 0.00 41.12 41.45 3kqh n ASP 405 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3kqh s VAL 406 N -0.92 0.00 -0.14 2.53 0.11 -0.72 -4.90 120.40 116.35 3kqh s VAL 406 Ca 0.58 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 3kqh s VAL 406 Cb -0.59 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 3kqh s VAL 406 CO 0.60 0.00 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.60 3kqh s ILE 407 N -1.02 1.53 -0.24 7.04 1.01 -0.09 -0.73 121.20 128.70 3kqh s ILE 407 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 3kqh s ILE 407 Cb -0.01 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 3kqh s ILE 407 CO -0.04 0.45 0.03 -0.69 0.00 0.00 0.00 174.94 174.69 3kqh s VAL 408 N 1.41 3.97 -0.60 2.92 1.01 -0.22 -0.54 120.40 128.35 3kqh s VAL 408 Ca 0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 3kqh s VAL 408 Cb -0.13 -2.84 0.15 0.00 0.00 0.00 0.00 36.38 33.56 3kqh s VAL 408 CO -0.09 0.37 0.49 -0.69 0.00 0.00 0.00 175.10 175.18 3kqh s VAL 409 N 1.55 4.58 0.46 2.92 1.01 -0.18 0.16 120.40 130.89 3kqh s VAL 409 Ca 0.06 -2.16 0.03 0.00 0.00 0.00 0.00 61.98 59.91 3kqh s VAL 409 Cb -0.15 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3kqh s VAL 409 CO 0.01 -0.87 0.08 0.00 0.00 0.00 0.00 175.10 174.32 3kqh s ALA 410 N 0.81 3.50 0.00 5.51 0.00 -0.20 -2.08 121.76 129.31 3kqh s ALA 410 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3kqh s ALA 410 Cb -0.22 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3kqh s ALA 410 CO -0.03 -0.20 0.00 0.25 0.00 0.00 0.00 175.76 175.78 3kqh n THR 411 N -1.09 0.00 1.11 0.00 -2.24 -1.09 -1.99 114.28 108.99 3kqh n THR 411 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3kqh n THR 411 Cb 0.66 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3kqh n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kqh n ASP 412 N -1.98 0.57 -4.73 3.42 8.00 -1.26 -4.86 116.55 115.70 3kqh n ASP 412 Ca 0.00 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 3kqh n ASP 412 Cb 0.00 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 3kqh n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqh s ALA 413 N -1.33 3.84 0.01 2.24 0.00 -1.26 -4.92 121.76 120.35 3kqh s ALA 413 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 3kqh s ALA 413 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 3kqh s ALA 413 CO 0.00 -0.92 1.41 -1.17 0.00 0.00 0.00 175.76 175.09 3kqh s LEU 414 N 0.56 4.32 -1.34 0.00 0.20 -1.26 -4.91 118.68 116.25 3kqh s LEU 414 Ca 0.70 2.15 -0.06 0.00 0.69 0.00 0.00 54.13 57.60 3kqh s LEU 414 Cb -0.48 -3.56 0.11 0.00 -0.43 0.00 0.00 46.19 41.83 3kqh s LEU 414 CO 0.38 -0.72 2.36 0.23 -0.29 0.00 0.00 176.35 178.31 3kqh n MET 415 N 5.26 4.39 -1.68 1.98 2.81 -1.26 -4.97 117.12 123.64 3kqh n MET 415 Ca 0.13 -3.36 -0.52 0.00 -1.81 0.00 0.00 57.70 52.13 3kqh n MET 415 Cb 0.43 -2.69 -0.06 0.00 -0.71 0.00 0.00 33.22 30.20 3kqh n MET 415 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kqh n THR 416 N 2.11 0.35 -2.23 2.03 -1.04 -1.26 -2.24 114.28 112.00 3kqh n THR 416 Ca 0.61 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 62.54 3kqh n THR 416 Cb 0.26 -1.47 0.01 0.00 -1.82 0.00 0.00 70.33 67.31 3kqh n THR 416 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqh n GLY 417 N 4.03 0.50 3.32 3.41 0.00 -1.26 -4.82 105.19 110.37 3kqh n GLY 417 Ca 0.23 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 3kqh n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqh s PHE 418 N -3.03 -0.88 -0.33 1.61 5.36 -0.95 -4.98 117.98 114.79 3kqh s PHE 418 Ca 0.01 1.64 -0.29 0.00 -0.96 0.00 0.00 56.93 57.34 3kqh s PHE 418 Cb -0.01 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 43.04 3kqh s PHE 418 CO 0.06 -0.51 1.69 0.99 -1.46 0.00 0.00 175.22 175.99 3kqh s THR 419 N 2.66 3.59 0.00 0.12 2.01 -1.26 -4.97 115.64 117.79 3kqh s THR 419 Ca -0.02 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3kqh s THR 419 Cb -0.12 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.63 3kqh s THR 419 CO -0.14 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 3kqh n GLY 420 N 5.24 -3.07 2.64 4.40 0.00 -1.26 -4.98 105.19 108.16 3kqh n GLY 420 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 3kqh n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqh n ASP 421 N 0.00 -1.30 -4.34 1.61 4.64 -1.18 -5.05 116.55 110.92 3kqh n ASP 421 Ca 0.00 1.34 -0.26 0.00 -1.38 0.00 0.00 54.79 54.49 3kqh n ASP 421 Cb 0.00 -5.08 -0.12 0.00 -1.04 0.00 0.00 41.12 34.88 3kqh n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kqh s PHE 422 N -0.71 2.02 0.35 -0.67 0.08 -1.09 -5.02 117.98 112.94 3kqh s PHE 422 Ca -0.26 -0.41 0.09 0.00 0.12 0.00 0.00 56.93 56.47 3kqh s PHE 422 Cb 0.02 -1.07 0.67 0.00 -0.57 0.00 0.00 43.02 42.06 3kqh s PHE 422 CO 0.76 0.31 1.84 -0.44 -0.10 0.00 0.00 175.22 177.58 3kqh h ASP 423 N 3.75 0.22 -5.18 1.36 3.32 -0.94 -3.37 116.42 115.59 3kqh h ASP 423 Ca -0.47 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.47 3kqh h ASP 423 Cb 1.19 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 3kqh h ASP 423 CO 0.42 0.47 -0.10 -0.94 -1.72 0.00 0.00 179.24 177.37 3kqh s SER 424 N -6.88 -0.13 -0.09 6.45 1.04 -1.24 -2.52 113.70 110.33 3kqh s SER 424 Ca -0.05 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 3kqh s SER 424 Cb 0.15 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.85 3kqh s SER 424 CO 0.75 -1.05 0.06 -0.69 0.98 0.00 0.00 173.24 173.29 3kqh s VAL 425 N -3.94 -0.03 -0.28 5.02 1.01 -0.16 -2.22 120.40 119.79 3kqh s VAL 425 Ca 0.15 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 3kqh s VAL 425 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3kqh s VAL 425 CO 0.02 0.04 0.13 -0.63 0.00 0.00 0.00 175.10 174.66 3kqh s ILE 426 N 2.13 4.72 -0.09 2.22 1.01 -0.10 -0.07 121.20 131.02 3kqh s ILE 426 Ca 0.04 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3kqh s ILE 426 Cb -0.13 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3kqh s ILE 426 CO -0.05 0.23 -0.13 -0.62 0.00 0.00 0.00 174.94 174.37 3kqh s ASP 427 N 1.66 4.10 0.06 3.58 3.68 -0.06 0.40 116.67 130.10 3kqh s ASP 427 Ca 0.06 -0.23 0.28 0.00 2.13 0.00 0.00 52.55 54.79 3kqh s ASP 427 Cb -0.16 -1.23 1.11 0.00 -1.45 0.00 0.00 42.92 41.19 3kqh s ASP 427 CO 0.07 0.26 1.88 0.00 0.13 0.00 0.00 175.17 177.51 3kqh n ASN 429 N -1.72 -4.96 -3.77 0.00 5.03 -1.26 -4.74 115.26 103.83 3kqh n ASN 429 Ca 0.07 -0.60 -0.13 0.00 0.87 0.00 0.00 54.58 54.79 3kqh n ASN 429 Cb 0.37 -4.90 -0.13 0.00 -1.02 0.00 0.00 39.78 34.10 3kqh n ASN 429 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3kqh s THR 430 N -3.34 -0.02 0.07 3.41 -4.23 -1.26 -2.89 115.64 107.38 3kqh s THR 430 Ca 0.43 0.07 0.09 0.00 -1.18 0.00 0.00 61.69 61.09 3kqh s THR 430 Cb -0.19 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 3kqh s THR 430 CO 0.74 0.03 -0.22 0.00 -0.54 0.00 0.00 174.62 174.64 3kqh s VAL 432 N -0.96 5.24 0.14 0.00 1.01 -1.26 -1.16 120.40 123.42 3kqh s VAL 432 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3kqh s VAL 432 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3kqh s VAL 432 CO 0.05 0.22 0.02 0.28 0.00 0.00 0.00 175.10 175.67 3kqh s THR 433 N 1.80 0.41 -0.14 3.92 -1.32 0.06 -4.96 115.64 115.41 3kqh s THR 433 Ca 0.12 -1.94 -0.09 0.00 -1.21 0.00 0.00 61.69 58.57 3kqh s THR 433 Cb -0.16 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 3kqh s THR 433 CO 0.10 -0.52 0.16 -1.10 -2.21 0.00 0.00 174.62 171.05 3kqh s GLN 434 N -3.97 3.74 0.08 7.08 -0.21 -1.26 0.17 119.66 125.30 3kqh s GLN 434 Ca 0.22 -0.11 0.07 0.00 0.02 0.00 0.00 55.36 55.56 3kqh s GLN 434 Cb 0.07 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.77 3kqh s GLN 434 CO 0.02 0.60 -0.18 -0.08 -2.12 0.00 0.00 175.29 173.52 3kqh s THR 435 N -0.53 1.47 -0.08 -0.19 -1.32 0.59 -4.73 115.64 110.85 3kqh s THR 435 Ca 0.14 -1.38 -0.00 0.00 -1.21 0.00 0.00 61.69 59.23 3kqh s THR 435 Cb -0.12 -1.35 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 3kqh s THR 435 CO 0.03 -0.08 -0.05 0.54 -2.21 0.00 0.00 174.62 172.85 3kqh s VAL 436 N -1.13 3.87 -0.09 5.08 0.11 -1.26 -1.58 120.40 125.41 3kqh s VAL 436 Ca 0.04 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 3kqh s VAL 436 Cb -0.10 -2.61 0.02 0.00 -1.53 0.00 0.00 36.38 32.17 3kqh s VAL 436 CO 0.03 0.59 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.69 3kqh s ASP 437 N -0.70 1.86 -1.29 3.54 2.15 0.80 -4.94 116.67 118.10 3kqh s ASP 437 Ca 0.11 -0.26 -0.12 0.00 0.43 0.00 0.00 52.55 52.71 3kqh s ASP 437 Cb -0.11 -0.74 0.14 0.00 -0.30 0.00 0.00 42.92 41.90 3kqh s ASP 437 CO 0.02 -0.08 1.81 0.49 -0.17 0.00 0.00 175.17 177.24 3kqh n PHE 438 N 4.57 3.67 1.13 -5.34 3.72 -1.26 -0.33 117.46 123.62 3kqh n PHE 438 Ca -0.16 -2.96 0.12 0.00 -0.05 0.00 0.00 57.45 54.39 3kqh n PHE 438 Cb 0.51 -2.15 0.60 0.00 -0.94 0.00 0.00 39.48 37.49 3kqh n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kqh n SER 439 N 5.00 0.00 -4.20 4.37 3.41 -1.22 -4.93 113.62 116.06 3kqh n SER 439 Ca 0.42 -0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.64 3kqh n SER 439 Cb 0.39 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3kqh n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqh n LEU 440 N -1.29 -1.67 -3.13 1.04 4.77 0.13 -4.88 117.00 111.97 3kqh n LEU 440 Ca 0.11 -1.06 -0.22 0.00 -0.03 0.00 0.00 56.01 54.81 3kqh n LEU 440 Cb 0.19 -2.02 -0.04 0.00 -2.33 0.00 0.00 43.42 39.22 3kqh n LEU 440 CO 0.18 0.33 -0.10 -0.90 -1.33 0.00 0.00 177.39 175.57 3kqh n ASP 441 N -2.74 2.12 0.04 -1.43 5.75 -1.26 -4.44 116.55 114.59 3kqh n ASP 441 Ca -0.06 -3.22 0.12 0.00 -0.01 0.00 0.00 54.79 51.63 3kqh n ASP 441 Cb 0.56 -0.61 0.11 0.00 -1.03 0.00 0.00 41.12 40.15 3kqh n ASP 441 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3kqh n PRO 442 N 0.30 0.25 0.00 0.11 -0.04 -1.26 -4.93 135.00 129.43 3kqh n PRO 442 Ca 0.27 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3kqh n PRO 442 Cb 0.54 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3kqh n PRO 442 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kqh n THR 443 N -1.95 0.00 -4.62 0.52 -2.24 -1.26 -4.77 114.28 99.95 3kqh n THR 443 Ca 0.03 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 3kqh n THR 443 Cb 0.42 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 3kqh n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kqh s PHE 444 N 1.09 2.04 -0.03 4.78 -0.12 -1.26 0.18 117.98 124.66 3kqh s PHE 444 Ca 0.00 -0.94 -0.01 0.00 -0.05 0.00 0.00 56.93 55.93 3kqh s PHE 444 Cb 0.00 -1.51 0.03 0.00 -0.63 0.00 0.00 43.02 40.91 3kqh s PHE 444 CO 0.00 0.15 0.03 0.99 -0.05 0.00 0.00 175.22 176.34 3kqh s THR 445 N -2.97 -0.02 -0.21 -4.49 2.01 0.56 -1.52 115.64 109.01 3kqh s THR 445 Ca 0.22 0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 3kqh s THR 445 Cb 0.05 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.41 3kqh s THR 445 CO 0.11 0.13 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.45 3kqh s ILE 446 N 1.43 2.89 0.05 1.82 1.01 -0.09 -0.14 121.20 128.17 3kqh s ILE 446 Ca -0.04 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3kqh s ILE 446 Cb -0.13 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3kqh s ILE 446 CO -0.03 0.46 -0.09 -1.83 0.00 0.00 0.00 174.94 173.46 3kqh s GLU 447 N 1.41 0.57 -0.22 2.79 -1.05 -0.61 -3.54 118.70 118.04 3kqh s GLU 447 Ca 0.05 -0.79 -0.14 0.00 -0.15 0.00 0.00 54.97 53.95 3kqh s GLU 447 Cb -0.14 -0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 3kqh s GLU 447 CO -0.07 0.07 0.31 -0.08 0.95 0.00 0.00 175.26 176.44 3kqh s THR 448 N -1.39 5.25 0.00 1.83 -1.32 -1.26 -0.30 115.64 118.45 3kqh s THR 448 Ca -0.09 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 3kqh s THR 448 Cb -0.10 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 3kqh s THR 448 CO 0.01 0.27 0.00 0.35 -2.21 0.00 0.00 174.62 173.04 3kqh n THR 449 N 4.42 0.00 -3.87 5.08 -2.24 0.13 -4.95 114.28 112.85 3kqh n THR 449 Ca -0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 3kqh n THR 449 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3kqh n THR 449 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kqh s THR 450 N -1.38 2.01 0.00 4.28 -4.23 -1.26 -0.76 115.64 114.31 3kqh s THR 450 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3kqh s THR 450 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3kqh s THR 450 CO 0.00 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 174.63 3kqh n VAL 451 N -1.60 0.00 -1.72 2.29 3.14 -0.31 -4.82 118.33 115.31 3kqh n VAL 451 Ca -0.01 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 3kqh n VAL 451 Cb 0.64 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.41 3kqh n VAL 451 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3kqh n PRO 452 N -0.03 2.34 -0.97 1.45 -0.04 -1.26 -0.46 135.00 136.02 3kqh n PRO 452 Ca 0.00 0.82 -0.32 0.00 -0.04 0.00 0.00 63.50 63.96 3kqh n PRO 452 Cb 0.00 -2.49 0.14 0.00 -0.04 0.00 0.00 33.50 31.11 3kqh n PRO 452 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3kqh s GLN 453 N -1.46 1.47 0.53 0.54 -2.07 -1.14 -4.71 119.66 112.83 3kqh s GLN 453 Ca 0.58 1.60 0.07 0.00 -1.82 0.00 0.00 55.36 55.79 3kqh s GLN 453 Cb -0.55 -1.77 0.05 0.00 -1.09 0.00 0.00 33.01 29.64 3kqh s GLN 453 CO 0.58 -2.31 0.53 0.16 -1.32 0.00 0.00 175.29 172.94 3kqh s ASP 454 N -2.51 4.87 0.17 12.60 1.47 -1.26 -2.74 116.67 129.27 3kqh s ASP 454 Ca 0.69 -1.02 -0.23 0.00 1.18 0.00 0.00 52.55 53.17 3kqh s ASP 454 Cb -0.25 0.21 0.06 0.00 -0.34 0.00 0.00 42.92 42.60 3kqh s ASP 454 CO 0.54 -1.11 1.59 0.00 0.68 0.00 0.00 175.17 176.87 3kqh h ALA 455 N 0.60 -0.19 -0.26 2.11 0.00 -1.59 -0.94 119.26 119.00 3kqh h ALA 455 Ca -0.35 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3kqh h ALA 455 Cb 1.29 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 3kqh h ALA 455 CO 0.51 -0.74 -0.26 0.28 0.00 0.00 0.00 179.25 179.05 3kqh h VAL 456 N -0.24 0.36 0.04 0.00 2.07 -1.88 0.39 116.25 116.98 3kqh h VAL 456 Ca 0.18 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 3kqh h VAL 456 Cb 0.55 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3kqh h VAL 456 CO -0.58 0.00 -0.22 -1.28 0.02 0.00 0.00 177.57 175.51 3kqh h SER 457 N -0.26 -0.63 -0.09 0.57 0.87 -1.78 0.53 113.55 112.76 3kqh h SER 457 Ca 0.14 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3kqh h SER 457 Cb 0.48 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 3kqh h SER 457 CO -0.41 -0.29 -0.11 -0.09 -0.53 0.00 0.00 176.83 175.40 3kqh h ARG 458 N -0.37 -0.15 0.05 2.24 2.43 -0.67 -0.92 114.38 116.99 3kqh h ARG 458 Ca 0.05 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3kqh h ARG 458 Cb 0.43 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3kqh h ARG 458 CO -0.17 -0.10 -0.22 0.77 -1.51 0.00 0.00 179.97 178.74 3kqh h SER 459 N -0.15 -0.64 -0.55 -3.80 0.02 0.07 0.38 113.55 108.88 3kqh h SER 459 Ca 0.07 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3kqh h SER 459 Cb 0.26 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 3kqh h SER 459 CO -0.18 -0.30 0.31 1.56 -1.14 0.00 0.00 176.83 177.08 3kqh h GLN 460 N -0.38 0.58 -0.04 3.45 4.20 -0.67 0.41 115.11 122.67 3kqh h GLN 460 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3kqh h GLN 460 Cb 0.43 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kqh h GLN 460 CO -0.17 0.39 -0.01 0.00 -0.67 0.00 0.00 178.83 178.37 3kqh h ARG 461 N 0.60 0.07 0.00 1.46 3.08 -0.98 -2.74 114.38 115.88 3kqh h ARG 461 Ca 0.23 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kqh h ARG 461 Cb 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3kqh h ARG 461 CO -0.13 0.41 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.09 3kqh h ARG 462 N -0.27 0.00 0.00 0.04 2.43 -0.77 -2.12 114.38 113.69 3kqh h ARG 462 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3kqh h ARG 462 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3kqh h ARG 462 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 3kqh n GLY 463 N -0.80 -1.14 0.00 2.80 0.00 0.12 -3.40 105.19 102.77 3kqh n GLY 463 Ca -0.02 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3kqh n GLY 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqh n ARG 464 N -1.17 0.48 -4.30 1.61 5.12 -0.80 -4.79 116.66 112.81 3kqh n ARG 464 Ca 0.18 0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.97 3kqh n ARG 464 Cb 0.18 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.88 3kqh n ARG 464 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3kqh s THR 465 N -2.43 1.19 0.00 0.55 -1.32 -1.22 -2.67 115.64 109.74 3kqh s THR 465 Ca 0.28 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.69 3kqh s THR 465 Cb 0.17 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 3kqh s THR 465 CO 0.37 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 3kqh n GLY 466 N -0.34 0.51 3.38 6.08 0.00 -1.26 -4.86 105.19 108.71 3kqh n GLY 466 Ca -0.07 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 3kqh n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqh s ARG 467 N -4.15 3.04 0.00 1.61 0.52 -1.26 -4.30 118.95 114.41 3kqh s ARG 467 Ca 0.00 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 3kqh s ARG 467 Cb 0.00 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.27 3kqh s ARG 467 CO 0.00 -1.33 0.00 0.41 0.02 0.00 0.00 175.30 174.40 3kqh n GLY 468 N 5.23 2.93 3.30 -3.53 0.00 -1.26 -4.95 105.19 106.92 3kqh n GLY 468 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3kqh n GLY 468 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kqh s ARG 469 N -0.10 1.27 0.01 1.61 1.70 -1.26 -5.13 118.95 117.06 3kqh s ARG 469 Ca 0.00 -1.50 -0.30 0.00 -0.47 0.00 0.00 55.73 53.46 3kqh s ARG 469 Cb 0.00 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.64 3kqh s ARG 469 CO 0.00 -0.45 1.47 1.41 -1.08 0.00 0.00 175.30 176.65 3kqh s MET 470 N -4.11 4.26 0.50 3.89 -2.45 -1.26 -4.10 119.30 116.04 3kqh s MET 470 Ca 0.33 2.06 0.02 0.00 -1.25 0.00 0.00 55.69 56.85 3kqh s MET 470 Cb 0.05 -3.59 -0.01 0.00 1.25 0.00 0.00 34.83 32.52 3kqh s MET 470 CO 0.10 -0.63 0.06 0.20 1.05 0.00 0.00 175.02 175.80 3kqh s GLY 471 N 2.06 2.88 0.07 2.11 0.00 0.48 -4.75 107.32 110.17 3kqh s GLY 471 Ca 0.67 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.74 3kqh s GLY 471 CO 0.28 -2.15 -0.16 -0.42 0.00 0.00 0.00 173.10 170.65 3kqh s ILE 472 N -2.84 1.25 -0.24 0.90 1.01 -1.05 -1.71 121.20 118.53 3kqh s ILE 472 Ca 0.13 -1.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 3kqh s ILE 472 Cb 0.02 -1.17 0.08 0.00 0.01 0.00 0.00 42.46 41.40 3kqh s ILE 472 CO 0.07 -0.12 0.06 -0.47 0.00 0.00 0.00 174.94 174.48 3kqh s TYR 473 N -1.13 1.20 -0.35 3.97 5.04 -0.85 -0.99 117.35 124.23 3kqh s TYR 473 Ca 0.01 -1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 53.36 3kqh s TYR 473 Cb -0.09 -1.24 -0.01 0.00 0.35 0.00 0.00 41.96 40.97 3kqh s TYR 473 CO 0.02 -0.72 0.25 1.03 -1.34 0.00 0.00 175.55 174.79 3kqh s ARG 474 N 1.80 3.36 0.49 4.97 0.52 0.90 -0.18 118.95 130.80 3kqh s ARG 474 Ca 0.03 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.57 3kqh s ARG 474 Cb -0.17 -3.82 0.01 0.00 0.52 0.00 0.00 34.95 31.48 3kqh s ARG 474 CO -0.16 -0.51 0.37 -0.59 0.02 0.00 0.00 175.30 174.43 3kqh s PHE 475 N 1.70 2.10 -0.07 -0.53 -0.71 -1.09 -0.88 117.98 118.50 3kqh s PHE 475 Ca 0.06 -0.69 0.06 0.00 -1.04 0.00 0.00 56.93 55.32 3kqh s PHE 475 Cb -0.18 -2.01 -0.09 0.00 -1.21 0.00 0.00 43.02 39.54 3kqh s PHE 475 CO 0.10 -0.28 0.17 0.28 -1.34 0.00 0.00 175.22 174.15 3kqh n VAL 476 N -1.62 0.00 -3.81 -2.49 0.31 -1.20 -2.37 118.33 107.15 3kqh n VAL 476 Ca 0.00 -0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.01 3kqh n VAL 476 Cb 0.63 0.50 -0.15 0.00 -0.91 0.00 0.00 33.84 33.92 3kqh n VAL 476 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kqh s THR 477 N -2.25 -0.03 -0.10 2.52 2.01 -1.26 -4.90 115.64 111.63 3kqh s THR 477 Ca -0.01 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.84 3kqh s THR 477 Cb 0.04 -0.08 -0.23 0.00 0.01 0.00 0.00 72.50 72.24 3kqh s THR 477 CO 0.26 0.05 0.89 1.55 -0.69 0.00 0.00 174.62 176.69 3kqh h PRO 478 N 6.80 -0.01 0.00 4.92 0.13 -2.02 -3.47 132.00 138.35 3kqh h PRO 478 Ca -0.37 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.65 3kqh h PRO 478 Cb 1.16 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.36 3kqh h PRO 478 CO 0.48 0.79 -0.05 0.41 -0.23 0.00 0.00 178.00 179.40 3kqh n GLY 479 N 1.18 -3.54 3.64 1.56 0.00 -1.26 -5.08 105.19 101.68 3kqh n GLY 479 Ca -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 3kqh n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kqh s GLU 480 N -3.46 0.15 0.13 1.61 -1.05 -1.26 -5.02 118.70 109.80 3kqh s GLU 480 Ca 0.20 0.15 -0.28 0.00 -0.15 0.00 0.00 54.97 54.89 3kqh s GLU 480 Cb -0.04 0.07 -0.07 0.00 -0.44 0.00 0.00 34.13 33.66 3kqh s GLU 480 CO 0.17 -0.02 0.89 0.50 0.95 0.00 0.00 175.26 177.74 3kqh s ARG 481 N -0.12 4.67 0.30 -4.83 3.52 -1.11 -4.85 118.95 116.53 3kqh s ARG 481 Ca 0.07 1.33 -0.30 0.00 -0.13 0.00 0.00 55.73 56.70 3kqh s ARG 481 Cb -0.04 -3.34 -0.12 0.00 -1.56 0.00 0.00 34.95 29.89 3kqh s ARG 481 CO -0.13 0.34 1.43 -2.30 -0.81 0.00 0.00 175.30 173.84 3kqh n PRO 482 N 2.36 2.32 -2.51 5.12 -0.02 -1.26 -1.74 135.00 139.27 3kqh n PRO 482 Ca -0.01 0.82 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 3kqh n PRO 482 Cb 0.49 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3kqh n PRO 482 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kqh s SER 483 N 0.12 6.68 0.00 2.55 1.04 -1.22 -4.57 113.70 118.29 3kqh s SER 483 Ca 0.61 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.61 3kqh s SER 483 Cb -0.56 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.06 3kqh s SER 483 CO 0.55 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3kqh n GLY 484 N -1.37 1.68 2.93 7.32 0.00 -1.26 0.14 105.19 114.62 3kqh n GLY 484 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3kqh n GLY 484 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kqh s MET 485 N 0.00 0.21 0.07 1.61 -1.94 -1.26 -1.45 119.30 116.53 3kqh s MET 485 Ca 0.00 -0.21 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 3kqh s MET 485 Cb 0.00 -0.12 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 3kqh s MET 485 CO 0.00 0.03 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.39 3kqh s PHE 486 N -0.37 0.71 0.69 -0.03 -0.12 -0.93 -4.94 117.98 112.99 3kqh s PHE 486 Ca -0.03 -0.77 -0.11 0.00 -0.05 0.00 0.00 56.93 55.98 3kqh s PHE 486 Cb -0.03 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 41.94 3kqh s PHE 486 CO -0.00 -0.16 1.06 0.34 -0.05 0.00 0.00 175.22 176.41 3kqh s ASP 487 N -2.41 5.35 0.49 1.98 2.15 -1.26 -4.49 116.67 118.49 3kqh s ASP 487 Ca 0.02 1.64 0.19 0.00 0.43 0.00 0.00 52.55 54.83 3kqh s ASP 487 Cb -0.01 -2.50 1.25 0.00 -0.30 0.00 0.00 42.92 41.36 3kqh s ASP 487 CO -0.03 -1.46 2.07 -1.28 -0.17 0.00 0.00 175.17 174.30 3kqh h SER 488 N -0.67 0.00 -0.21 -0.34 0.87 -1.91 -2.11 113.55 109.17 3kqh h SER 488 Ca -0.44 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.18 3kqh h SER 488 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 3kqh h SER 488 CO 0.56 0.11 0.16 0.77 -0.53 0.00 0.00 176.83 177.91 3kqh h SER 489 N 0.00 0.00 -0.57 6.23 4.64 -1.92 -1.14 113.55 120.79 3kqh h SER 489 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3kqh h SER 489 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3kqh h SER 489 CO 0.01 0.00 0.17 0.58 -0.87 0.00 0.00 176.83 176.73 3kqh h VAL 490 N 0.00 1.24 -0.52 0.95 2.07 -1.69 -1.58 116.25 116.72 3kqh h VAL 490 Ca 0.10 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3kqh h VAL 490 Cb 0.43 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3kqh h VAL 490 CO -0.00 0.31 0.20 -0.07 0.02 0.00 0.00 177.57 178.02 3kqh h LEU 491 N 0.80 0.68 -0.85 2.57 3.38 -1.36 0.72 115.31 121.24 3kqh h LEU 491 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kqh h LEU 491 Cb 0.29 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3kqh h LEU 491 CO -0.00 0.62 0.48 0.00 0.09 0.00 0.00 178.44 179.62 3kqh h GLU 493 N 1.18 0.46 -0.09 0.00 5.08 0.07 -1.35 114.58 119.94 3kqh h GLU 493 Ca 0.30 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3kqh h GLU 493 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3kqh h GLU 493 CO -0.05 0.40 -0.01 0.00 -1.00 0.00 0.00 179.01 178.35 3kqh h TYR 495 N -0.14 1.02 -0.08 0.00 0.05 -1.13 0.22 116.97 116.92 3kqh h TYR 495 Ca 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3kqh h TYR 495 Cb 0.40 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3kqh h TYR 495 CO 0.05 0.76 0.02 0.22 -1.05 0.00 0.00 178.16 178.16 3kqh h ASP 496 N 1.01 0.11 -0.64 3.88 1.82 -1.09 -0.90 116.42 120.60 3kqh h ASP 496 Ca 0.24 -0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.62 3kqh h ASP 496 Cb 0.14 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 3kqh h ASP 496 CO -0.03 0.28 0.16 0.00 -1.61 0.00 0.00 179.24 178.05 3kqh h ALA 497 N 0.83 0.85 -0.48 -0.78 0.00 -0.60 0.43 119.26 119.51 3kqh h ALA 497 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kqh h ALA 497 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kqh h ALA 497 CO -0.00 0.55 0.32 0.78 0.00 0.00 0.00 179.25 180.90 3kqh h GLY 498 N 0.95 0.66 0.85 0.00 0.00 -0.42 0.44 103.07 105.55 3kqh h GLY 498 Ca 0.20 -0.24 -0.22 0.00 0.00 0.00 0.00 47.33 47.07 3kqh h GLY 498 CO 0.00 0.23 -0.98 0.00 0.00 0.00 0.00 176.54 175.80 3kqh h ALA 500 N 0.13 0.54 0.00 0.00 0.00 0.04 -3.40 119.26 116.56 3kqh h ALA 500 Ca -0.17 -1.13 -0.08 0.00 0.00 0.00 0.00 54.91 53.53 3kqh h ALA 500 Cb 1.76 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3kqh h ALA 500 CO 0.18 1.38 -1.29 0.91 0.00 0.00 0.00 179.25 180.43 3kqh n TRP 501 N -3.22 0.00 -1.01 0.00 7.02 0.15 -4.81 117.44 115.57 3kqh n TRP 501 Ca -0.07 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.44 3kqh n TRP 501 Cb 0.98 -0.20 0.32 0.00 -2.42 0.00 0.00 31.31 30.00 3kqh n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kqh n TYR 502 N -2.63 1.84 -4.02 -5.99 4.01 -0.99 -4.96 117.16 104.41 3kqh n TYR 502 Ca -0.09 -0.98 -0.27 0.00 -0.16 0.00 0.00 57.90 56.40 3kqh n TYR 502 Cb 0.60 -0.52 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 3kqh n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kqh n GLU 503 N -0.05 -0.92 -4.38 -0.72 1.02 -1.03 -4.92 120.64 109.63 3kqh n GLU 503 Ca 0.31 0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 57.18 3kqh n GLU 503 Cb 1.17 -3.11 -0.11 0.00 -0.02 0.00 0.00 31.44 29.37 3kqh n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kqh s LEU 504 N -6.61 3.41 0.78 -4.62 1.43 0.10 -5.02 118.68 108.15 3kqh s LEU 504 Ca 0.09 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 3kqh s LEU 504 Cb -0.05 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.42 3kqh s LEU 504 CO 0.84 0.27 1.08 0.42 0.23 0.00 0.00 176.35 179.19 3kqh s THR 505 N -0.25 3.36 0.22 5.49 -4.23 -1.26 -3.98 115.64 114.99 3kqh s THR 505 Ca 0.05 0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 60.92 3kqh s THR 505 Cb -0.13 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.78 3kqh s THR 505 CO 0.02 -0.58 1.82 -0.65 -0.54 0.00 0.00 174.62 174.70 3kqh h PRO 506 N -1.05 0.75 -0.85 3.99 0.11 -1.91 -1.71 132.00 131.33 3kqh h PRO 506 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kqh h PRO 506 Cb 1.25 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3kqh h PRO 506 CO 0.56 0.50 0.49 0.00 -0.21 0.00 0.00 178.00 179.34 3kqh h ALA 507 N 1.36 1.09 -0.24 -0.75 0.00 -1.91 -1.73 119.26 117.08 3kqh h ALA 507 Ca 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kqh h ALA 507 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kqh h ALA 507 CO -0.18 0.57 0.15 0.93 0.00 0.00 0.00 179.25 180.73 3kqh h GLU 508 N 1.18 0.32 -0.75 0.00 5.08 -1.77 -2.18 114.58 116.46 3kqh h GLU 508 Ca 0.30 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.67 3kqh h GLU 508 Cb -0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3kqh h GLU 508 CO -0.05 0.24 0.49 1.15 -1.00 0.00 0.00 179.01 179.84 3kqh h THR 509 N 0.31 1.13 -0.61 1.13 2.02 -1.08 -1.71 112.91 114.10 3kqh h THR 509 Ca 0.09 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3kqh h THR 509 Cb 0.00 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 3kqh h THR 509 CO -0.02 0.17 0.25 0.28 0.37 0.00 0.00 175.52 176.57 3kqh h SER 510 N 0.93 0.80 -0.19 4.18 0.02 -0.71 -0.48 113.55 118.10 3kqh h SER 510 Ca 0.29 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3kqh h SER 510 Cb 0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3kqh h SER 510 CO -0.08 0.71 0.12 0.58 -1.14 0.00 0.00 176.83 177.02 3kqh h VAL 511 N 0.87 1.07 -0.23 2.27 2.07 -0.83 0.56 116.25 122.03 3kqh h VAL 511 Ca 0.21 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 3kqh h VAL 511 Cb 0.16 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3kqh h VAL 511 CO -0.02 0.06 -0.37 0.03 0.02 0.00 0.00 177.57 177.29 3kqh h ARG 512 N 0.23 0.52 0.01 1.57 3.08 -1.32 -2.13 114.38 116.34 3kqh h ARG 512 Ca 0.07 -0.25 -0.22 0.00 0.07 0.00 0.00 59.98 59.65 3kqh h ARG 512 Cb 0.01 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kqh h ARG 512 CO -0.01 0.82 -0.93 -0.07 -1.07 0.00 0.00 179.97 178.71 3kqh h LEU 513 N 0.44 0.41 -0.67 3.04 3.38 -0.81 -2.94 115.31 118.17 3kqh h LEU 513 Ca 0.04 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3kqh h LEU 513 Cb 0.85 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3kqh h LEU 513 CO 0.07 1.14 0.35 -0.09 0.09 0.00 0.00 178.44 180.00 3kqh h ARG 514 N 0.17 0.95 -0.53 1.13 2.43 0.26 -1.24 114.38 117.54 3kqh h ARG 514 Ca -0.07 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3kqh h ARG 514 Cb 1.57 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 3kqh h ARG 514 CO 0.15 0.73 0.28 0.00 -1.51 0.00 0.00 179.97 179.62 3kqh h ALA 515 N 1.16 1.49 0.08 2.80 0.00 -1.35 -1.56 119.26 121.88 3kqh h ALA 515 Ca 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kqh h ALA 515 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kqh h ALA 515 CO -0.03 0.42 -0.04 -0.92 0.00 0.00 0.00 179.25 178.68 3kqh h TYR 516 N 0.74 -0.10 0.00 0.00 5.03 -1.19 -3.03 116.97 118.42 3kqh h TYR 516 Ca 0.19 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.50 3kqh h TYR 516 Cb 0.04 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.36 3kqh h TYR 516 CO 0.00 0.30 0.00 1.28 -1.32 0.00 0.00 178.16 178.43 3kqh n LEU 517 N -4.94 0.67 -0.91 2.82 4.32 -0.54 -2.19 117.00 116.24 3kqh n LEU 517 Ca -0.08 0.70 0.12 0.00 -0.02 0.00 0.00 56.01 56.73 3kqh n LEU 517 Cb 0.23 -0.66 0.22 0.00 -1.62 0.00 0.00 43.42 41.59 3kqh n LEU 517 CO 0.32 -0.70 0.70 -3.20 -1.22 0.00 0.00 177.39 173.29 3kqh n ASN 518 N -2.28 2.79 -4.37 -1.43 4.05 -0.60 -4.87 115.26 108.56 3kqh n ASN 518 Ca 0.01 -1.90 -0.38 0.00 0.45 0.00 0.00 54.58 52.76 3kqh n ASN 518 Cb 0.17 -0.08 -0.12 0.00 1.23 0.00 0.00 39.78 40.98 3kqh n ASN 518 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3kqh s THR 519 N -1.84 4.12 0.74 -0.44 2.01 -0.93 -5.06 115.64 114.24 3kqh s THR 519 Ca 0.33 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 3kqh s THR 519 Cb 0.21 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.65 3kqh s THR 519 CO 0.31 0.08 1.15 -2.84 -0.69 0.00 0.00 174.62 172.62 3kqh s PRO 520 N 1.53 2.19 0.00 4.92 0.02 -1.26 -3.67 135.00 138.72 3kqh s PRO 520 Ca 0.03 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.55 3kqh s PRO 520 Cb -0.17 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3kqh s PRO 520 CO 0.03 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.37 3kqh n GLY 521 N -0.22 0.74 3.68 0.52 0.00 -1.26 -5.05 105.19 103.61 3kqh n GLY 521 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3kqh n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqh s LEU 522 N 0.00 3.11 0.30 0.99 1.43 -1.24 -4.50 118.68 118.77 3kqh s LEU 522 Ca 0.00 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 3kqh s LEU 522 Cb 0.00 -1.53 -0.12 0.00 0.03 0.00 0.00 46.19 44.57 3kqh s LEU 522 CO 0.00 -0.28 1.41 -2.65 0.23 0.00 0.00 176.35 175.06 3kqh n PRO 523 N -1.06 2.26 -4.13 1.29 -0.02 -1.26 -4.93 135.00 127.15 3kqh n PRO 523 Ca -0.04 0.80 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 3kqh n PRO 523 Cb 0.62 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 3kqh n PRO 523 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kqh s VAL 524 N -0.50 4.33 0.07 -1.45 -7.23 -0.53 -4.94 120.40 110.15 3kqh s VAL 524 Ca 0.62 -1.33 -0.22 0.00 -1.81 0.00 0.00 61.98 59.23 3kqh s VAL 524 Cb -0.58 -3.28 0.05 0.00 0.56 0.00 0.00 36.38 33.14 3kqh s VAL 524 CO 0.55 -0.25 0.53 0.00 -0.31 0.00 0.00 175.10 175.62 3kqh s GLN 526 N -2.77 4.15 -0.65 0.00 -0.21 -1.26 -4.86 119.66 114.05 3kqh s GLN 526 Ca -0.03 2.53 -0.26 0.00 0.02 0.00 0.00 55.36 57.61 3kqh s GLN 526 Cb -0.00 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.94 3kqh s GLN 526 CO -0.04 -0.61 1.83 0.34 -2.12 0.00 0.00 175.29 174.69 3kqh s ASP 527 N 0.56 5.32 -0.12 5.90 -1.08 -1.26 -4.71 116.67 121.28 3kqh s ASP 527 Ca 0.64 0.19 0.14 0.00 -0.52 0.00 0.00 52.55 53.00 3kqh s ASP 527 Cb -0.47 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 38.74 3kqh s ASP 527 CO 0.45 -2.38 1.14 1.41 0.52 0.00 0.00 175.17 176.32 3kqh n HIS 528 N 12.65 0.00 -0.04 -5.34 8.25 -1.26 -4.81 115.22 124.66 3kqh n HIS 528 Ca 0.21 -0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 56.67 3kqh n HIS 528 Cb 0.51 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 3kqh n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kqh h LEU 529 N 0.35 0.21 -0.54 2.41 3.38 -1.99 -0.56 115.31 118.56 3kqh h LEU 529 Ca -0.02 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kqh h LEU 529 Cb 1.16 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3kqh h LEU 529 CO 0.01 0.15 0.36 -0.08 0.09 0.00 0.00 178.44 178.97 3kqh h GLU 530 N 0.26 0.71 -0.09 1.13 4.81 -1.99 0.14 114.58 119.54 3kqh h GLU 530 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3kqh h GLU 530 Cb -0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3kqh h GLU 530 CO -0.03 0.47 0.01 0.35 -0.73 0.00 0.00 179.01 179.08 3kqh h PHE 531 N 0.73 0.16 -0.53 0.92 3.57 -1.89 -1.69 116.94 118.21 3kqh h PHE 531 Ca 0.20 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3kqh h PHE 531 Cb -0.07 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3kqh h PHE 531 CO -0.04 0.37 0.08 -1.49 -2.23 0.00 0.00 178.31 175.00 3kqh h TRP 532 N -0.09 0.87 -0.40 0.41 -0.00 -0.93 -2.33 115.95 113.48 3kqh h TRP 532 Ca 0.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 3kqh h TRP 532 Cb 0.29 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.19 3kqh h TRP 532 CO 0.02 0.76 0.20 1.49 -0.00 0.00 0.00 178.44 180.91 3kqh h GLU 533 N 0.80 0.58 -0.10 0.49 4.81 -0.62 -1.94 114.58 118.60 3kqh h GLU 533 Ca 0.17 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3kqh h GLU 533 Cb 0.36 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3kqh h GLU 533 CO 0.01 0.50 -0.08 0.66 -0.73 0.00 0.00 179.01 179.36 3kqh h SER 534 N 0.52 0.13 0.51 1.04 4.64 -1.00 -1.00 113.55 118.38 3kqh h SER 534 Ca 0.14 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3kqh h SER 534 Cb 0.11 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3kqh h SER 534 CO -0.02 0.24 -0.24 0.58 -0.87 0.00 0.00 176.83 176.51 3kqh h VAL 535 N 0.14 0.24 0.00 0.95 2.07 -0.87 -3.16 116.25 115.61 3kqh h VAL 535 Ca 0.03 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3kqh h VAL 535 Cb 0.24 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3kqh h VAL 535 CO 0.01 0.04 -0.06 -0.26 0.02 0.00 0.00 177.57 177.33 3kqh h PHE 536 N -1.07 0.00 0.00 1.57 -1.00 -1.21 -1.98 116.94 113.24 3kqh h PHE 536 Ca -0.07 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 3kqh h PHE 536 Cb 0.60 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 3kqh h PHE 536 CO 0.01 0.06 -0.25 1.15 -1.61 0.00 0.00 178.31 177.67 3kqh h THR 537 N 0.00 1.03 -0.01 -1.55 2.02 -1.15 -2.11 112.91 111.14 3kqh h THR 537 Ca -0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3kqh h THR 537 Cb 0.23 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3kqh h THR 537 CO 0.01 0.25 -0.19 0.61 0.37 0.00 0.00 175.52 176.56 3kqh n GLY 538 N -0.65 -0.76 2.97 2.16 0.00 -0.75 -4.52 105.19 103.65 3kqh n GLY 538 Ca -0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3kqh n GLY 538 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqh n LEU 539 N -0.79 6.41 -4.92 0.99 4.77 -0.80 -4.98 117.00 117.68 3kqh n LEU 539 Ca 0.13 -4.67 -0.22 0.00 -0.03 0.00 0.00 56.01 51.21 3kqh n LEU 539 Cb 0.32 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 3kqh n LEU 539 CO 0.25 1.31 -0.09 0.42 -1.33 0.00 0.00 177.39 177.95 3kqh s THR 540 N 0.25 5.03 -1.15 -5.08 -4.23 -1.26 -4.63 115.64 104.58 3kqh s THR 540 Ca 0.39 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.82 3kqh s THR 540 Cb 0.07 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 3kqh s THR 540 CO 0.01 -0.29 0.95 1.41 -0.54 0.00 0.00 174.62 176.16 3kqh n HIS 541 N -1.17 -2.28 -2.53 3.99 8.25 -1.26 -4.97 115.22 115.25 3kqh n HIS 541 Ca -0.08 0.89 -0.34 0.00 -0.26 0.00 0.00 57.72 57.93 3kqh n HIS 541 Cb 0.57 -4.65 -0.03 0.00 1.12 0.00 0.00 29.99 26.99 3kqh n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kqh s ILE 542 N -3.39 3.86 -0.26 1.59 2.07 -1.26 -4.95 121.20 118.86 3kqh s ILE 542 Ca 0.19 1.13 -0.29 0.00 -1.41 0.00 0.00 60.65 60.27 3kqh s ILE 542 Cb -0.03 -3.46 -0.01 0.00 0.13 0.00 0.00 42.46 39.09 3kqh s ILE 542 CO 0.74 -0.28 1.49 -0.62 -1.91 0.00 0.00 174.94 174.36 3kqh s ASP 543 N -2.08 6.49 0.28 4.50 2.15 -1.26 -4.89 116.67 121.86 3kqh s ASP 543 Ca 0.66 1.42 0.00 0.00 0.43 0.00 0.00 52.55 55.07 3kqh s ASP 543 Cb -0.15 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.45 3kqh s ASP 543 CO 0.21 -1.20 1.86 0.00 -0.17 0.00 0.00 175.17 175.87 3kqh h ALA 544 N 10.19 1.50 0.19 3.66 0.00 -1.98 -1.45 119.26 131.37 3kqh h ALA 544 Ca -0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kqh h ALA 544 Cb 1.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kqh h ALA 544 CO 1.02 0.30 -0.09 1.25 0.00 0.00 0.00 179.25 181.73 3kqh h HIS 545 N 1.05 -0.24 -0.88 0.00 6.17 -1.99 -0.51 115.15 118.75 3kqh h HIS 545 Ca 0.46 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.58 3kqh h HIS 545 Cb 0.35 0.08 -0.06 0.00 2.52 0.00 0.00 27.41 30.30 3kqh h HIS 545 CO -0.00 -0.06 0.56 0.74 0.71 0.00 0.00 177.93 179.88 3kqh h PHE 546 N -0.38 1.04 -0.29 5.26 0.05 -1.80 -0.83 116.94 119.98 3kqh h PHE 546 Ca -0.03 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 3kqh h PHE 546 Cb 0.30 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 3kqh h PHE 546 CO -0.03 0.57 0.17 1.25 -0.18 0.00 0.00 178.31 180.09 3kqh h LEU 547 N 1.05 0.35 -1.02 1.54 6.46 -1.10 -0.40 115.31 122.18 3kqh h LEU 547 Ca 0.36 -0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.14 3kqh h LEU 547 Cb 0.08 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 39.86 3kqh h LEU 547 CO -0.14 0.30 0.64 -1.28 -0.62 0.00 0.00 178.44 177.34 3kqh h SER 548 N 0.37 1.01 0.00 1.25 0.87 -0.42 -0.25 113.55 116.37 3kqh h SER 548 Ca 0.10 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3kqh h SER 548 Cb 0.02 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3kqh h SER 548 CO -0.02 0.63 -0.00 1.56 -0.53 0.00 0.00 176.83 178.47 3kqh h GLN 549 N 1.14 -0.00 -0.83 2.24 4.20 -0.40 -1.23 115.11 120.23 3kqh h GLN 549 Ca 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.15 3kqh h GLN 549 Cb 0.22 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3kqh h GLN 549 CO -0.18 0.44 0.51 1.79 -0.67 0.00 0.00 178.83 180.72 3kqh h THR 550 N -0.45 1.23 0.05 -0.54 1.35 -0.85 0.14 112.91 113.84 3kqh h THR 550 Ca -0.00 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kqh h THR 550 Cb 0.45 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 3kqh h THR 550 CO 0.00 0.23 -0.03 0.11 -0.25 0.00 0.00 175.52 175.59 3kqh h LYS 551 N 1.14 -0.07 -0.09 4.72 1.57 -1.03 -2.80 116.57 120.02 3kqh h LYS 551 Ca 0.30 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 3kqh h LYS 551 Cb -0.06 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3kqh h LYS 551 CO -0.06 0.22 0.06 0.37 -0.57 0.00 0.00 179.45 179.48 3kqh h GLN 552 N -0.36 0.00 0.00 3.15 4.15 -0.95 0.15 115.11 121.25 3kqh h GLN 552 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3kqh h GLN 552 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3kqh h GLN 552 CO 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 3kqh n ALA 553 N -2.55 2.08 -1.77 3.38 0.00 0.01 -4.88 120.51 116.79 3kqh n ALA 553 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 3kqh n ALA 553 Cb 0.17 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3kqh n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqh n GLY 554 N 0.91 0.80 3.82 0.00 0.00 0.04 -4.99 105.19 105.77 3kqh n GLY 554 Ca 0.06 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3kqh n GLY 554 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqh s ASP 555 N -2.64 5.98 0.35 1.61 1.11 -1.16 -5.03 116.67 116.89 3kqh s ASP 555 Ca 0.00 1.67 -0.26 0.00 0.18 0.00 0.00 52.55 54.15 3kqh s ASP 555 Cb 0.00 -2.51 -0.09 0.00 1.07 0.00 0.00 42.92 41.38 3kqh s ASP 555 CO 0.00 -1.03 1.02 0.20 1.18 0.00 0.00 175.17 176.54 3kqh s ASN 556 N -3.19 7.06 -1.29 0.27 -0.87 -1.26 -3.81 114.94 111.85 3kqh s ASN 556 Ca 0.60 2.01 -0.04 0.00 -1.57 0.00 0.00 52.86 53.86 3kqh s ASN 556 Cb -0.13 -2.59 -0.01 0.00 -0.02 0.00 0.00 41.25 38.50 3kqh s ASN 556 CO 0.40 -0.28 0.65 0.49 -2.57 0.00 0.00 177.10 175.80 3kqh n PHE 557 N 0.39 -1.86 0.10 2.20 3.01 -1.26 -4.80 117.46 115.23 3kqh n PHE 557 Ca 0.03 0.74 0.09 0.00 1.01 0.00 0.00 57.45 59.32 3kqh n PHE 557 Cb 0.49 -4.03 0.57 0.00 -0.01 0.00 0.00 39.48 36.50 3kqh n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kqh h PRO 558 N -1.83 0.21 0.10 -1.08 0.13 -1.88 -0.41 132.00 127.24 3kqh h PRO 558 Ca -0.63 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.49 3kqh h PRO 558 Cb 1.36 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3kqh h PRO 558 CO 0.56 0.14 -0.05 -0.92 -0.23 0.00 0.00 178.00 177.50 3kqh h TYR 559 N 0.22 -0.13 -0.52 1.56 3.20 -1.89 0.51 116.97 119.92 3kqh h TYR 559 Ca 0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3kqh h TYR 559 Cb 0.22 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3kqh h TYR 559 CO -0.00 0.26 0.19 -0.07 -1.64 0.00 0.00 178.16 176.91 3kqh h LEU 560 N -0.56 0.68 0.53 2.82 3.38 -1.83 0.49 115.31 120.82 3kqh h LEU 560 Ca -0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3kqh h LEU 560 Cb 0.45 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kqh h LEU 560 CO 0.02 0.63 -0.25 0.58 0.09 0.00 0.00 178.44 179.51 3kqh h VAL 561 N 0.74 0.35 -0.33 1.22 2.07 -1.04 -1.93 116.25 117.33 3kqh h VAL 561 Ca 0.18 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3kqh h VAL 561 Cb 0.17 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kqh h VAL 561 CO -0.01 0.05 0.23 0.00 0.02 0.00 0.00 177.57 177.85 3kqh h ALA 562 N -0.70 2.16 -0.08 1.67 0.00 -0.63 -0.98 119.26 120.70 3kqh h ALA 562 Ca -0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 3kqh h ALA 562 Cb 0.62 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kqh h ALA 562 CO 0.12 -0.24 -0.86 -0.92 0.00 0.00 0.00 179.25 177.35 3kqh h TYR 563 N 0.12 0.90 -0.37 0.00 3.20 -0.82 -0.07 116.97 119.93 3kqh h TYR 563 Ca 0.15 -0.44 -0.05 0.00 3.14 0.00 0.00 58.73 61.53 3kqh h TYR 563 Cb 0.45 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3kqh h TYR 563 CO -0.00 1.26 0.03 0.37 -1.64 0.00 0.00 178.16 178.17 3kqh h GLN 564 N 0.41 0.64 -0.95 1.82 5.75 -0.78 -1.39 115.11 120.62 3kqh h GLN 564 Ca -0.07 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 3kqh h GLN 564 Cb 1.49 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.93 3kqh h GLN 564 CO 0.17 0.73 0.62 0.00 -2.65 0.00 0.00 178.83 177.69 3kqh h ALA 565 N 0.89 1.30 -0.44 3.38 0.00 -1.11 -0.13 119.26 123.14 3kqh h ALA 565 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kqh h ALA 565 Cb 0.42 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kqh h ALA 565 CO 0.01 0.64 0.25 1.15 0.00 0.00 0.00 179.25 181.30 3kqh h THR 566 N 1.30 1.15 -0.58 0.00 2.02 -0.59 -0.57 112.91 115.63 3kqh h THR 566 Ca 0.35 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3kqh h THR 566 Cb -0.13 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3kqh h THR 566 CO -0.07 0.15 0.12 0.58 0.37 0.00 0.00 175.52 176.67 3kqh h VAL 567 N 0.57 1.25 0.12 3.16 2.07 -0.83 0.16 116.25 122.76 3kqh h VAL 567 Ca 0.15 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3kqh h VAL 567 Cb 0.03 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3kqh h VAL 567 CO -0.03 0.34 -0.06 0.00 0.02 0.00 0.00 177.57 177.85 3kqh h ALA 569 N 0.70 0.91 0.00 0.00 0.00 -1.02 0.50 119.26 120.34 3kqh h ALA 569 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3kqh h ALA 569 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kqh h ALA 569 CO 0.03 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.78 3kqh h ARG 570 N 1.01 0.00 -0.33 0.00 -0.00 -0.71 -0.53 114.38 113.83 3kqh h ARG 570 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 3kqh h ARG 570 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.24 3kqh h ARG 570 CO -0.01 0.06 0.00 0.00 0.00 0.00 0.00 179.97 180.02 3kqh n ALA 571 N -2.24 2.35 -3.24 0.04 0.00 -0.32 -4.94 120.51 112.16 3kqh n ALA 571 Ca -0.02 -0.98 -0.22 0.00 0.00 0.00 0.00 53.44 52.21 3kqh n ALA 571 Cb 0.18 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.00 3kqh n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqh n GLN 572 N 1.03 -3.70 -4.22 0.00 1.13 0.51 -4.93 117.38 107.20 3kqh n GLN 572 Ca 0.15 0.58 -0.30 0.00 -1.94 0.00 0.00 57.00 55.49 3kqh n GLN 572 Cb 0.49 -5.32 -0.09 0.00 0.11 0.00 0.00 30.24 25.42 3kqh n GLN 572 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kqh s ALA 573 N -2.97 3.12 0.67 -1.58 0.00 0.14 -1.61 121.76 119.54 3kqh s ALA 573 Ca 0.36 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 3kqh s ALA 573 Cb -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3kqh s ALA 573 CO 0.44 0.66 1.07 -1.25 0.00 0.00 0.00 175.76 176.68 3kqh s PRO 574 N -2.12 2.95 1.14 0.00 0.04 -1.26 -4.27 135.00 131.47 3kqh s PRO 574 Ca 0.23 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 3kqh s PRO 574 Cb -0.11 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.70 3kqh s PRO 574 CO 0.15 -1.10 1.12 -1.25 0.04 0.00 0.00 177.00 175.96 3kqh s PRO 575 N -4.66 -0.69 0.53 0.56 0.04 -1.26 -4.35 135.00 125.17 3kqh s PRO 575 Ca 0.61 0.03 0.27 0.00 0.04 0.00 0.00 61.00 61.95 3kqh s PRO 575 Cb -0.15 -1.65 1.41 0.00 0.04 0.00 0.00 34.50 34.14 3kqh s PRO 575 CO 0.49 -3.38 1.96 -1.35 0.04 0.00 0.00 177.00 174.76 3kqh h PRO 576 N -2.34 0.02 -2.33 0.56 0.11 -1.95 -3.42 132.00 122.64 3kqh h PRO 576 Ca -0.47 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.87 3kqh h PRO 576 Cb 1.30 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 3kqh h PRO 576 CO 0.40 0.01 0.71 -1.54 -0.21 0.00 0.00 178.00 177.38 3kqh s SER 577 N -6.02 -0.00 -0.40 -2.05 1.04 -1.26 0.13 113.70 105.14 3kqh s SER 577 Ca -0.05 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 55.96 3kqh s SER 577 Cb 0.20 0.35 0.56 0.00 0.10 0.00 0.00 66.02 67.24 3kqh s SER 577 CO 0.75 -0.70 1.69 0.79 0.98 0.00 0.00 173.24 176.74 3kqh n TRP 578 N -0.76 2.20 -1.27 5.02 7.02 -1.26 -4.73 117.44 123.65 3kqh n TRP 578 Ca -0.01 -1.91 -0.32 0.00 -1.02 0.00 0.00 57.50 54.24 3kqh n TRP 578 Cb 0.59 -0.77 0.10 0.00 -2.42 0.00 0.00 31.31 28.81 3kqh n TRP 578 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3kqh s ASP 579 N -2.06 4.22 0.51 -0.99 -1.08 -1.26 -4.88 116.67 111.12 3kqh s ASP 579 Ca 0.52 2.03 0.30 0.00 -0.52 0.00 0.00 52.55 54.89 3kqh s ASP 579 Cb 0.45 -2.55 1.42 0.00 -1.46 0.00 0.00 42.92 40.78 3kqh s ASP 579 CO 0.04 -2.23 1.84 -0.61 0.52 0.00 0.00 175.17 174.73 3kqh h GLN 580 N -0.91 0.09 0.00 4.34 5.75 -2.02 -1.20 115.11 121.16 3kqh h GLN 580 Ca -0.45 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3kqh h GLN 580 Cb 1.25 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.78 3kqh h GLN 580 CO 0.49 0.06 0.00 0.00 -2.65 0.00 0.00 178.83 176.73 3kqh n MET 581 N -4.31 0.12 -0.20 1.69 0.00 -1.26 -1.79 117.12 111.37 3kqh n MET 581 Ca 0.22 0.49 0.08 0.00 0.00 0.00 0.00 57.70 58.48 3kqh n MET 581 Cb 1.03 -1.79 0.18 0.00 0.00 0.00 0.00 33.22 32.64 3kqh n MET 581 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3kqh n TRP 582 N -2.02 0.52 0.00 3.17 7.02 -0.45 -4.67 117.44 121.01 3kqh n TRP 582 Ca 0.01 -0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.08 3kqh n TRP 582 Cb 0.11 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 3kqh n TRP 582 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 3kqh n LYS 583 N 0.88 0.00 0.12 -0.99 2.85 -0.74 -0.84 118.16 119.45 3kqh n LYS 583 Ca 0.15 0.26 0.13 0.00 -1.05 0.00 0.00 58.31 57.79 3kqh n LYS 583 Cb 0.47 -1.66 0.41 0.00 -0.65 0.00 0.00 35.03 33.60 3kqh n LYS 583 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kqh n LEU 585 N -2.34 2.43 -0.26 0.00 4.77 -0.02 -4.62 117.00 116.96 3kqh n LEU 585 Ca 0.05 -0.84 0.07 0.00 -0.03 0.00 0.00 56.01 55.25 3kqh n LEU 585 Cb 0.40 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.68 3kqh n LEU 585 CO 0.29 0.42 0.98 -0.29 -1.33 0.00 0.00 177.39 177.46 3kqh h ILE 586 N 3.49 0.56 0.00 -0.08 6.09 -1.69 0.12 117.51 126.00 3kqh h ILE 586 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3kqh h ILE 586 Cb 0.85 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.32 3kqh h ILE 586 CO 0.00 0.06 0.00 0.03 -3.07 0.00 0.00 178.15 175.17 3kqh h ARG 587 N 0.35 0.00 -0.01 2.19 3.08 -1.84 -2.48 114.38 115.67 3kqh h ARG 587 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3kqh h ARG 587 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3kqh h ARG 587 CO -0.47 0.00 -0.61 1.28 -1.07 0.00 0.00 179.97 179.10 3kqh n LEU 588 N -2.34 1.72 -0.32 3.04 4.77 0.38 -4.59 117.00 119.66 3kqh n LEU 588 Ca 0.01 -0.69 0.18 0.00 -0.03 0.00 0.00 56.01 55.48 3kqh n LEU 588 Cb 0.16 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.63 3kqh n LEU 588 CO 0.17 0.34 1.00 0.50 -1.33 0.00 0.00 177.39 178.07 3kqh h LYS 589 N 1.73 0.21 -0.23 3.23 3.64 -1.11 0.07 116.57 124.11 3kqh h LYS 589 Ca 0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3kqh h LYS 589 Cb 0.67 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3kqh h LYS 589 CO 0.00 0.14 0.16 -1.35 -2.27 0.00 0.00 179.45 176.14 3kqh h PRO 590 N 0.22 0.05 -0.57 1.90 0.11 -1.82 -2.71 132.00 129.18 3kqh h PRO 590 Ca 0.64 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 3kqh h PRO 590 Cb 1.41 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3kqh h PRO 590 CO -0.67 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 177.40 3kqh n THR 591 N -4.48 0.99 -4.07 -1.15 -2.24 -0.01 -4.93 114.28 98.40 3kqh n THR 591 Ca 0.02 -1.00 -0.34 0.00 -2.27 0.00 0.00 64.05 60.46 3kqh n THR 591 Cb 0.28 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 3kqh n THR 591 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kqh s LEU 592 N -1.00 3.69 0.09 3.22 1.43 -1.02 -4.77 118.68 120.31 3kqh s LEU 592 Ca 0.38 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 3kqh s LEU 592 Cb 0.20 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3kqh s LEU 592 CO 0.26 0.16 0.36 -1.38 0.23 0.00 0.00 176.35 175.99 3kqh s HIS 593 N 0.43 -0.16 0.00 0.29 -3.43 -0.63 -4.58 115.29 107.21 3kqh s HIS 593 Ca 0.02 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 3kqh s HIS 593 Cb -0.13 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 3kqh s HIS 593 CO 0.01 -0.63 0.00 0.41 -2.00 0.00 0.00 174.74 172.53 3kqh n GLY 594 N 0.07 -1.86 3.76 -1.38 0.00 -1.26 -4.24 105.19 100.28 3kqh n GLY 594 Ca -0.17 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 3kqh n GLY 594 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kqh s PRO 595 N 0.00 3.58 -0.05 1.61 0.02 -1.26 -4.34 135.00 134.55 3kqh s PRO 595 Ca 0.00 1.93 -0.28 0.00 0.02 0.00 0.00 61.00 62.66 3kqh s PRO 595 Cb 0.00 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 3kqh s PRO 595 CO 0.00 -0.74 0.93 0.99 -0.33 0.00 0.00 177.00 177.84 3kqh s THR 596 N -1.46 4.88 -1.20 0.99 2.01 0.16 -4.56 115.64 116.46 3kqh s THR 596 Ca 0.66 1.91 -0.21 0.00 0.31 0.00 0.00 61.69 64.36 3kqh s THR 596 Cb -0.32 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 67.94 3kqh s THR 596 CO 0.39 0.12 1.78 -2.84 -0.69 0.00 0.00 174.62 173.38 3kqh s PRO 597 N 1.34 3.38 0.01 4.92 0.02 -1.26 -1.49 135.00 141.91 3kqh s PRO 597 Ca 0.47 -1.51 -0.30 0.00 0.02 0.00 0.00 61.00 59.68 3kqh s PRO 597 Cb -0.19 -5.39 -0.07 0.00 0.02 0.00 0.00 34.50 28.87 3kqh s PRO 597 CO 0.22 -2.86 1.66 -1.17 -0.33 0.00 0.00 177.00 174.52 3kqh s LEU 598 N 6.83 4.35 -0.12 -5.54 2.96 -1.08 -4.88 118.68 121.20 3kqh s LEU 598 Ca 0.59 2.37 0.17 0.00 -0.22 0.00 0.00 54.13 57.03 3kqh s LEU 598 Cb 0.01 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.91 3kqh s LEU 598 CO 0.07 -0.91 0.32 0.18 -1.32 0.00 0.00 176.35 174.69 3kqh n LEU 599 N 6.42 0.28 -3.62 -0.68 4.77 -1.26 -4.77 117.00 118.14 3kqh n LEU 599 Ca 0.17 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.29 3kqh n LEU 599 Cb 0.42 0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3kqh n LEU 599 CO 0.63 0.39 1.06 -0.72 -1.33 0.00 0.00 177.39 177.42 3kqh s TYR 600 N -2.66 -0.04 -0.27 -1.77 -0.85 -1.26 -4.62 117.35 105.87 3kqh s TYR 600 Ca -0.08 -0.06 -0.07 0.00 -0.52 0.00 0.00 57.07 56.34 3kqh s TYR 600 Cb 0.07 0.55 -0.00 0.00 0.38 0.00 0.00 41.96 42.96 3kqh s TYR 600 CO 0.83 -0.27 0.06 1.03 -1.52 0.00 0.00 175.55 175.68 3kqh s ARG 601 N -2.42 3.30 -0.63 -3.49 0.52 -0.58 -5.00 118.95 110.65 3kqh s ARG 601 Ca 0.14 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 3kqh s ARG 601 Cb 0.05 -3.31 0.29 0.00 0.52 0.00 0.00 34.95 32.50 3kqh s ARG 601 CO -0.04 -0.33 0.88 1.28 0.02 0.00 0.00 175.30 177.11 3kqh n LEU 602 N 4.88 4.24 0.00 2.53 4.77 -1.26 -0.91 117.00 131.25 3kqh n LEU 602 Ca -0.15 -5.55 0.00 0.00 -0.03 0.00 0.00 56.01 50.28 3kqh n LEU 602 Cb 0.49 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3kqh n LEU 602 CO 0.31 2.18 0.00 0.61 -1.33 0.00 0.00 177.39 179.16 3kqh n GLY 603 N 0.35 -0.18 3.77 -0.72 0.00 -1.23 -5.03 105.19 102.15 3kqh n GLY 603 Ca 0.31 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 3kqh n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqh s ALA 604 N -1.97 2.91 -0.25 4.61 0.00 -1.26 -5.03 121.76 120.77 3kqh s ALA 604 Ca 0.00 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.89 3kqh s ALA 604 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3kqh s ALA 604 CO 0.00 -0.71 -0.09 0.08 0.00 0.00 0.00 175.76 175.04 3kqh s VAL 605 N -1.58 2.44 -0.13 0.00 1.01 -1.26 -4.62 120.40 116.24 3kqh s VAL 605 Ca 0.66 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3kqh s VAL 605 Cb -0.28 -2.33 -0.24 0.00 0.00 0.00 0.00 36.38 33.53 3kqh s VAL 605 CO 0.33 0.08 0.30 0.00 0.00 0.00 0.00 175.10 175.81 3kqh n GLN 606 N 4.54 0.71 -1.64 2.72 1.13 0.12 -4.98 117.38 119.98 3kqh n GLN 606 Ca -0.15 0.23 -0.30 0.00 -1.94 0.00 0.00 57.00 54.84 3kqh n GLN 606 Cb 0.44 -1.68 0.09 0.00 0.11 0.00 0.00 30.24 29.20 3kqh n GLN 606 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3kqh s ASN 607 N -6.70 4.46 0.63 1.08 3.04 -0.49 -5.02 114.94 111.94 3kqh s ASN 607 Ca -0.21 1.15 -0.16 0.00 0.04 0.00 0.00 52.86 53.68 3kqh s ASN 607 Cb 0.07 -1.84 -0.02 0.00 -1.54 0.00 0.00 41.25 37.92 3kqh s ASN 607 CO 0.75 -1.97 1.12 -1.83 -3.04 0.00 0.00 177.10 172.14 3kqh s GLU 608 N -5.26 2.94 0.03 0.43 -1.05 -1.26 -4.84 118.70 109.69 3kqh s GLU 608 Ca 0.61 1.49 0.09 0.00 -0.15 0.00 0.00 54.97 57.00 3kqh s GLU 608 Cb -0.14 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.57 3kqh s GLU 608 CO 0.53 -1.15 -0.25 0.08 0.95 0.00 0.00 175.26 175.42 3kqh s VAL 609 N -2.13 2.02 0.13 1.83 1.01 -1.26 0.35 120.40 122.35 3kqh s VAL 609 Ca 0.69 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3kqh s VAL 609 Cb -0.22 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3kqh s VAL 609 CO 0.37 0.39 -0.17 0.28 0.00 0.00 0.00 175.10 175.97 3kqh s THR 610 N -0.74 1.56 -0.05 3.92 -1.32 -0.56 -4.82 115.64 113.63 3kqh s THR 610 Ca 0.11 -1.73 0.07 0.00 -1.21 0.00 0.00 61.69 58.93 3kqh s THR 610 Cb -0.10 -1.62 0.11 0.00 -1.51 0.00 0.00 72.50 69.39 3kqh s THR 610 CO 0.01 -0.30 1.00 0.41 -2.21 0.00 0.00 174.62 173.53 3kqh n THR 611 N 0.60 1.10 0.65 5.08 -1.04 -1.26 -2.62 114.28 116.79 3kqh n THR 611 Ca -0.16 -1.25 0.13 0.00 -2.04 0.00 0.00 64.05 60.73 3kqh n THR 611 Cb 0.56 0.27 0.44 0.00 -1.82 0.00 0.00 70.33 69.79 3kqh n THR 611 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kqh n THR 612 N -0.74 0.55 -1.82 12.58 -2.24 -1.26 -4.51 114.28 116.84 3kqh n THR 612 Ca 0.06 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3kqh n THR 612 Cb 0.48 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 3kqh n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kqh s HIS 613 N -3.11 2.79 0.27 4.78 5.04 -1.26 -4.86 115.29 118.94 3kqh s HIS 613 Ca 0.10 0.84 0.01 0.00 -1.54 0.00 0.00 55.06 54.47 3kqh s HIS 613 Cb 0.13 -4.03 0.63 0.00 0.04 0.00 0.00 32.58 29.35 3kqh s HIS 613 CO 0.56 -3.42 1.72 -1.35 -2.34 0.00 0.00 174.74 169.91 3kqh h PRO 614 N 4.81 0.45 -0.29 2.88 0.11 -2.00 -0.54 132.00 137.42 3kqh h PRO 614 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3kqh h PRO 614 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3kqh h PRO 614 CO 0.79 0.30 0.01 0.82 -0.21 0.00 0.00 178.00 179.70 3kqh h ILE 615 N 0.46 1.17 -0.22 4.15 1.08 -1.95 0.50 117.51 122.71 3kqh h ILE 615 Ca 0.51 -0.66 -0.16 0.00 -0.39 0.00 0.00 64.86 64.16 3kqh h ILE 615 Cb 0.88 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 3kqh h ILE 615 CO -0.47 0.23 -0.51 0.74 -0.69 0.00 0.00 178.15 177.45 3kqh h THR 616 N 0.42 1.31 -0.43 -0.27 2.02 -1.42 -0.25 112.91 114.29 3kqh h THR 616 Ca 0.10 -1.73 -0.12 0.00 0.77 0.00 0.00 66.41 65.42 3kqh h THR 616 Cb 0.27 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3kqh h THR 616 CO 0.01 0.54 -0.20 0.11 0.37 0.00 0.00 175.52 176.36 3kqh h LYS 617 N 0.47 0.90 -0.17 6.66 1.57 -0.72 0.67 116.57 125.95 3kqh h LYS 617 Ca 0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3kqh h LYS 617 Cb 1.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3kqh h LYS 617 CO 0.10 1.04 0.11 -0.92 -0.57 0.00 0.00 179.45 179.21 3kqh h TYR 618 N 0.73 0.22 -0.54 -1.35 3.20 -0.79 -0.67 116.97 117.77 3kqh h TYR 618 Ca 0.10 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3kqh h TYR 618 Cb 0.76 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3kqh h TYR 618 CO 0.06 0.15 0.05 0.82 -1.64 0.00 0.00 178.16 177.59 3kqh h ILE 619 N 0.23 1.26 -0.60 1.81 2.04 -0.80 -2.11 117.51 119.34 3kqh h ILE 619 Ca 0.06 -1.02 0.09 0.00 1.00 0.00 0.00 64.86 64.99 3kqh h ILE 619 Cb -0.02 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3kqh h ILE 619 CO -0.01 0.37 0.22 0.24 0.00 0.00 0.00 178.15 178.97 3kqh h MET 620 N 0.80 0.39 -0.70 2.37 2.86 -0.64 -0.33 114.93 119.68 3kqh h MET 620 Ca 0.16 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3kqh h MET 620 Cb 0.46 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 3kqh h MET 620 CO 0.02 0.26 0.46 0.00 1.06 0.00 0.00 176.91 178.71 3kqh h ALA 621 N 1.41 1.57 -0.50 6.32 0.00 -0.67 -1.74 119.26 125.65 3kqh h ALA 621 Ca 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kqh h ALA 621 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kqh h ALA 621 CO -0.30 0.37 0.13 0.00 0.00 0.00 0.00 179.25 179.45 3kqh h MET 623 N 0.73 0.00 -0.01 0.00 2.86 -0.78 -3.49 114.93 114.24 3kqh h MET 623 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3kqh h MET 623 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3kqh h MET 623 CO -0.00 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.40