#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kql s PRO 190 N 0.00 -0.82 -0.38 1.43 0.02 -1.26 -4.86 135.00 129.14 3kql s PRO 190 Ca 0.00 0.61 -0.34 0.00 0.02 0.00 0.00 61.00 61.29 3kql s PRO 190 Cb 0.00 -1.58 -0.11 0.00 0.02 0.00 0.00 34.50 32.82 3kql s PRO 190 CO 0.00 -3.60 2.23 -2.30 -0.33 0.00 0.00 177.00 173.00 3kql n PRO 191 N -4.80 1.07 -1.08 5.54 -0.02 -1.26 -4.89 135.00 129.56 3kql n PRO 191 Ca 0.04 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 3kql n PRO 191 Cb 0.56 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.60 3kql n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kql n ALA 192 N 10.34 -2.47 -2.52 3.55 0.00 -1.26 -4.94 120.51 123.21 3kql n ALA 192 Ca 0.41 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3kql n ALA 192 Cb 0.25 -1.71 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 3kql n ALA 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kql s VAL 193 N -2.08 5.12 0.84 0.00 1.01 -1.26 -5.06 120.40 118.98 3kql s VAL 193 Ca 0.59 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 3kql s VAL 193 Cb -0.29 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.26 3kql s VAL 193 CO 0.65 -0.23 1.10 -2.16 0.00 0.00 0.00 175.10 174.46 3kql s PRO 194 N 2.10 1.73 0.10 2.72 0.04 -1.26 -4.98 135.00 135.44 3kql s PRO 194 Ca 0.12 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 61.56 3kql s PRO 194 Cb -0.17 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 3kql s PRO 194 CO 0.13 -1.86 1.64 1.96 0.04 0.00 0.00 177.00 178.90 3kql h GLN 195 N -1.26 0.36 -6.02 4.56 7.50 -1.98 -3.45 115.11 114.83 3kql h GLN 195 Ca -0.48 -0.07 -0.57 0.00 0.50 0.00 0.00 58.65 58.03 3kql h GLN 195 Cb 1.29 -0.06 -0.10 0.00 0.05 0.00 0.00 27.48 28.66 3kql h GLN 195 CO 0.59 0.41 -0.58 0.95 -1.50 0.00 0.00 178.83 178.70 3kql s THR 196 N -5.52 2.69 0.21 -0.54 -4.23 -1.26 -4.94 115.64 102.04 3kql s THR 196 Ca -0.14 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 3kql s THR 196 Cb 0.08 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.89 3kql s THR 196 CO 0.72 -0.17 0.80 0.33 -0.54 0.00 0.00 174.62 175.76 3kql n PHE 197 N -1.04 0.38 -3.56 3.99 7.35 -1.24 -4.80 117.46 118.54 3kql n PHE 197 Ca -0.04 0.86 -0.14 0.00 -0.76 0.00 0.00 57.45 57.37 3kql n PHE 197 Cb 0.62 -2.10 -0.05 0.00 0.35 0.00 0.00 39.48 38.30 3kql n PHE 197 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3kql s GLN 198 N -1.01 1.05 -0.13 -4.13 -0.21 -0.97 -4.97 119.66 109.29 3kql s GLN 198 Ca 0.66 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.78 3kql s GLN 198 Cb -0.87 0.48 -0.01 0.00 1.00 0.00 0.00 33.01 33.60 3kql s GLN 198 CO 0.57 -0.39 -0.14 0.08 -2.12 0.00 0.00 175.29 173.29 3kql s VAL 199 N -2.55 2.96 0.09 1.09 1.01 -1.26 -1.56 120.40 120.18 3kql s VAL 199 Ca -0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3kql s VAL 199 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3kql s VAL 199 CO -0.02 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.39 3kql s ALA 200 N 0.44 1.76 -0.10 5.51 0.00 -0.01 -4.98 121.76 124.37 3kql s ALA 200 Ca -0.10 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3kql s ALA 200 Cb -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3kql s ALA 200 CO 0.05 0.36 0.03 -1.01 0.00 0.00 0.00 175.76 175.19 3kql s HIS 201 N -1.10 3.25 -0.23 0.00 3.76 -1.26 -0.48 115.29 119.23 3kql s HIS 201 Ca 0.06 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 3kql s HIS 201 Cb -0.10 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.80 3kql s HIS 201 CO 0.04 0.48 -0.04 -1.17 -0.85 0.00 0.00 174.74 173.20 3kql s LEU 202 N -0.75 2.33 -0.22 0.89 2.96 -0.38 -4.91 118.68 118.59 3kql s LEU 202 Ca 0.12 -1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 52.89 3kql s LEU 202 Cb -0.12 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.52 3kql s LEU 202 CO 0.02 -0.25 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.72 3kql s HIS 203 N 1.48 2.97 0.02 5.38 3.76 -1.26 -1.63 115.29 126.00 3kql s HIS 203 Ca -0.05 -1.39 -0.14 0.00 -0.15 0.00 0.00 55.06 53.33 3kql s HIS 203 Cb -0.19 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.48 3kql s HIS 203 CO -0.07 -0.69 0.30 0.00 -0.85 0.00 0.00 174.74 173.43 3kql s ALA 204 N 1.36 -0.71 0.91 -1.40 0.00 -1.19 -5.02 121.76 115.71 3kql s ALA 204 Ca 0.03 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 3kql s ALA 204 Cb -0.15 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.26 3kql s ALA 204 CO -0.06 -0.35 0.70 -2.30 0.00 0.00 0.00 175.76 173.75 3kql n PRO 205 N 0.86 -0.24 -1.78 0.00 -0.02 -1.26 -3.69 135.00 128.87 3kql n PRO 205 Ca -0.20 -0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.85 3kql n PRO 205 Cb 0.58 -2.06 -0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3kql n PRO 205 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kql n THR 206 N -3.65 1.96 -1.24 3.45 -2.24 -1.26 -1.82 114.28 109.47 3kql n THR 206 Ca 0.09 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.30 3kql n THR 206 Cb 0.52 -2.00 -0.04 0.00 -2.10 0.00 0.00 70.33 66.72 3kql n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kql n GLY 207 N 0.51 1.03 0.11 3.38 0.00 -1.26 -4.92 105.19 104.03 3kql n GLY 207 Ca 0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 3kql n GLY 207 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kql h SER 208 N 0.00 0.28 0.00 1.61 0.02 -1.69 -3.42 113.55 110.36 3kql h SER 208 Ca -0.17 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 3kql h SER 208 Cb 0.56 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3kql h SER 208 CO 0.25 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.46 3kql n GLY 209 N 0.75 0.75 0.25 -3.77 0.00 -1.26 -4.94 105.19 96.97 3kql n GLY 209 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3kql n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kql h LYS 210 N 0.00 0.49 0.00 1.61 1.57 -1.92 -1.79 116.57 116.53 3kql h LYS 210 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kql h LYS 210 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3kql h LYS 210 CO 0.00 0.61 -0.88 0.77 -0.57 0.00 0.00 179.45 179.38 3kql h SER 211 N 0.45 0.00 0.00 0.86 0.02 -1.99 -3.38 113.55 109.51 3kql h SER 211 Ca 0.08 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3kql h SER 211 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3kql h SER 211 CO 0.03 0.04 -0.10 0.35 -1.14 0.00 0.00 176.83 176.01 3kql n THR 212 N -2.48 1.04 0.09 -2.27 -2.24 -1.19 -4.64 114.28 102.59 3kql n THR 212 Ca 0.01 0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.99 3kql n THR 212 Cb 0.51 -1.57 -0.07 0.00 -2.10 0.00 0.00 70.33 67.10 3kql n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kql h LYS 213 N -0.10 -0.18 0.31 -0.78 1.57 -1.65 -1.23 116.57 114.52 3kql h LYS 213 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kql h LYS 213 Cb 0.10 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3kql h LYS 213 CO 0.00 -0.12 -0.35 0.28 -0.57 0.00 0.00 179.45 178.69 3kql h VAL 214 N -0.19 0.28 -0.20 0.50 2.07 -1.53 -0.24 116.25 116.95 3kql h VAL 214 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kql h VAL 214 Cb 0.17 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3kql h VAL 214 CO -0.01 0.00 0.06 1.55 0.02 0.00 0.00 177.57 179.18 3kql h PRO 215 N -0.71 0.27 -0.23 1.57 0.13 -1.74 -0.80 132.00 130.50 3kql h PRO 215 Ca -0.01 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3kql h PRO 215 Cb 0.65 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3kql h PRO 215 CO -0.09 0.25 -0.18 0.00 -0.23 0.00 0.00 178.00 177.76 3kql h ALA 216 N 1.80 1.28 -0.36 -0.56 0.00 -0.57 -1.31 119.26 119.54 3kql h ALA 216 Ca 0.07 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3kql h ALA 216 Cb 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kql h ALA 216 CO -0.00 0.48 -0.43 0.00 0.00 0.00 0.00 179.25 179.30 3kql h ALA 217 N 1.46 0.56 -0.22 0.00 0.00 0.36 -2.17 119.26 119.25 3kql h ALA 217 Ca 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3kql h ALA 217 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kql h ALA 217 CO 0.03 0.68 0.04 1.88 0.00 0.00 0.00 179.25 181.88 3kql h TYR 218 N 0.73 0.38 -0.61 0.00 0.05 -1.05 -2.89 116.97 113.58 3kql h TYR 218 Ca 0.05 -0.05 0.11 0.00 0.05 0.00 0.00 58.73 58.88 3kql h TYR 218 Cb 1.02 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.58 3kql h TYR 218 CO 0.06 0.49 0.18 0.00 -1.05 0.00 0.00 178.16 177.85 3kql h ALA 219 N 0.84 0.77 -0.13 3.88 0.00 -1.19 0.24 119.26 123.68 3kql h ALA 219 Ca 0.07 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kql h ALA 219 Cb 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kql h ALA 219 CO 0.00 -0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.20 3kql h ALA 220 N 1.46 1.60 -0.01 0.00 0.00 -1.19 0.32 119.26 121.43 3kql h ALA 220 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kql h ALA 220 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kql h ALA 220 CO -0.36 -0.26 -0.02 1.04 0.00 0.00 0.00 179.25 179.65 3kql n GLN 221 N -3.53 1.37 -0.47 0.00 6.02 0.85 -4.92 117.38 116.70 3kql n GLN 221 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 3kql n GLN 221 Cb 0.30 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3kql n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kql n GLY 222 N 1.14 0.76 3.90 1.08 0.00 0.11 -5.08 105.19 107.10 3kql n GLY 222 Ca 0.20 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3kql n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kql s TYR 223 N -2.00 3.46 -0.21 1.61 2.02 -1.17 -5.03 117.35 116.04 3kql s TYR 223 Ca 0.00 0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 57.21 3kql s TYR 223 Cb 0.00 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 3kql s TYR 223 CO 0.00 0.26 0.43 0.15 -1.57 0.00 0.00 175.55 174.83 3kql s LYS 224 N -3.15 4.17 -0.06 -0.62 1.02 -1.26 -4.27 119.74 115.57 3kql s LYS 224 Ca 0.44 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.74 3kql s LYS 224 Cb -0.11 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.63 3kql s LYS 224 CO 0.26 -0.09 -0.23 0.08 -0.92 0.00 0.00 175.35 174.45 3kql s VAL 225 N 1.46 2.24 -0.20 3.17 1.01 0.90 -1.62 120.40 127.37 3kql s VAL 225 Ca 0.20 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kql s VAL 225 Cb -0.15 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3kql s VAL 225 CO 0.09 0.57 -0.15 -0.22 0.00 0.00 0.00 175.10 175.39 3kql s LEU 226 N -0.23 2.48 -0.29 3.92 2.96 -0.54 -0.64 118.68 126.35 3kql s LEU 226 Ca -0.01 -0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 53.16 3kql s LEU 226 Cb -0.13 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.02 3kql s LEU 226 CO 0.03 -0.03 0.06 -0.69 -1.32 0.00 0.00 176.35 174.40 3kql s VAL 227 N 1.31 3.78 -0.19 1.68 1.01 0.58 -0.27 120.40 128.31 3kql s VAL 227 Ca 0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 3kql s VAL 227 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3kql s VAL 227 CO -0.10 0.06 0.24 -0.76 0.00 0.00 0.00 175.10 174.54 3kql s LEU 228 N 1.46 4.20 0.12 3.92 1.43 -0.09 -1.34 118.68 128.37 3kql s LEU 228 Ca 0.02 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.55 3kql s LEU 228 Cb -0.17 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3kql s LEU 228 CO 0.02 0.09 -0.16 0.20 0.23 0.00 0.00 176.35 176.73 3kql s ASN 229 N 0.62 2.13 0.05 2.29 0.01 -0.09 -1.38 114.94 118.57 3kql s ASN 229 Ca 0.13 -0.76 -0.01 0.00 -0.71 0.00 0.00 52.86 51.51 3kql s ASN 229 Cb -0.13 -0.09 -0.27 0.00 0.41 0.00 0.00 41.25 41.17 3kql s ASN 229 CO 0.03 -0.08 1.05 1.55 -1.51 0.00 0.00 177.10 178.14 3kql h PRO 230 N 3.72 0.21 -6.61 -0.60 0.13 -1.88 -0.45 132.00 126.52 3kql h PRO 230 Ca -0.41 -0.36 -0.51 0.00 -0.87 0.00 0.00 66.00 63.84 3kql h PRO 230 Cb 1.19 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3kql h PRO 230 CO 0.47 1.12 0.39 0.45 -0.23 0.00 0.00 178.00 180.20 3kql s SER 231 N -6.98 7.46 0.01 1.44 0.15 -1.26 -4.68 113.70 109.84 3kql s SER 231 Ca -0.05 1.88 -0.20 0.00 0.70 0.00 0.00 55.95 58.28 3kql s SER 231 Cb 0.07 -2.59 -0.19 0.00 -1.71 0.00 0.00 66.02 61.60 3kql s SER 231 CO 0.86 -0.08 1.20 0.58 1.20 0.00 0.00 173.24 177.00 3kql h VAL 232 N 3.87 1.41 -0.72 4.45 2.07 -1.89 -2.64 116.25 122.80 3kql h VAL 232 Ca -0.43 -1.73 0.05 0.00 0.82 0.00 0.00 66.70 65.40 3kql h VAL 232 Cb 1.21 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 3kql h VAL 232 CO 0.72 0.50 0.43 0.00 0.02 0.00 0.00 177.57 179.24 3kql h ALA 233 N 0.44 0.96 0.24 1.67 0.00 -1.94 -1.78 119.26 118.86 3kql h ALA 233 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kql h ALA 233 Cb 0.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kql h ALA 233 CO 0.07 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 3kql h ALA 234 N 1.34 -0.32 -0.35 0.00 0.00 -1.82 -1.21 119.26 116.89 3kql h ALA 234 Ca 0.31 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3kql h ALA 234 Cb 0.13 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3kql h ALA 234 CO -0.16 -0.60 -0.18 1.15 0.00 0.00 0.00 179.25 179.47 3kql h THR 235 N -0.50 0.47 -0.03 0.00 2.02 -1.22 -0.51 112.91 113.14 3kql h THR 235 Ca -0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3kql h THR 235 Cb 0.37 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3kql h THR 235 CO 0.05 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.65 3kql h LEU 236 N -0.12 0.05 -1.17 2.58 3.38 -1.31 -3.11 115.31 115.60 3kql h LEU 236 Ca 0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kql h LEU 236 Cb 0.39 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kql h LEU 236 CO -0.43 0.28 0.09 1.23 0.09 0.00 0.00 178.44 179.71 3kql h GLY 237 N 0.75 0.72 1.91 0.83 0.00 0.19 -3.02 103.07 104.45 3kql h GLY 237 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3kql h GLY 237 CO 0.03 0.38 0.01 0.74 0.00 0.00 0.00 176.54 177.70 3kql h PHE 238 N 0.65 0.12 -0.30 5.60 0.04 -1.43 -3.30 116.94 118.32 3kql h PHE 238 Ca 0.15 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.95 3kql h PHE 238 Cb 0.27 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.32 3kql h PHE 238 CO 0.01 0.12 -0.36 0.78 -0.60 0.00 0.00 178.31 178.26 3kql h GLY 239 N 0.25 -1.36 0.79 -1.45 0.00 -1.69 0.60 103.07 100.20 3kql h GLY 239 Ca 0.03 0.78 -0.02 0.00 0.00 0.00 0.00 47.33 48.12 3kql h GLY 239 CO -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 176.54 176.21 3kql h ALA 240 N -0.44 0.18 0.26 3.60 0.00 -1.79 -3.00 119.26 118.07 3kql h ALA 240 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kql h ALA 240 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kql h ALA 240 CO -0.41 -0.13 -0.18 -0.92 0.00 0.00 0.00 179.25 177.61 3kql h TYR 241 N -0.01 -0.47 -0.84 0.00 5.03 -1.62 -2.29 116.97 116.77 3kql h TYR 241 Ca 0.04 -0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.54 3kql h TYR 241 Cb 0.35 0.17 -0.06 0.00 1.55 0.00 0.00 36.73 38.74 3kql h TYR 241 CO 0.03 -0.28 0.56 0.52 -1.32 0.00 0.00 178.16 177.68 3kql h MET 242 N -0.43 0.34 0.71 1.82 2.86 -0.95 0.52 114.93 119.80 3kql h MET 242 Ca -0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3kql h MET 242 Cb 0.37 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.96 3kql h MET 242 CO 0.01 0.23 -0.34 1.03 1.06 0.00 0.00 176.91 178.89 3kql h SER 243 N 0.35 -0.80 1.03 1.22 0.87 -1.27 -1.08 113.55 113.86 3kql h SER 243 Ca 0.43 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.81 3kql h SER 243 Cb 1.12 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.26 3kql h SER 243 CO -0.14 -0.48 -0.85 0.11 -0.53 0.00 0.00 176.83 174.94 3kql h LYS 244 N -1.11 0.00 0.08 2.24 1.79 -0.87 -2.42 116.57 116.28 3kql h LYS 244 Ca -0.10 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.14 3kql h LYS 244 Cb 0.76 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 3kql h LYS 244 CO 0.16 0.85 -1.23 0.00 -1.08 0.00 0.00 179.45 178.15 3kql h ALA 245 N 1.15 0.18 -0.28 3.86 0.00 -0.08 -3.40 119.26 120.70 3kql h ALA 245 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3kql h ALA 245 Cb 1.59 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3kql h ALA 245 CO 0.11 0.71 0.00 0.72 0.00 0.00 0.00 179.25 180.79 3kql n HIS 246 N -4.10 0.52 -3.57 0.00 8.25 -0.45 -5.01 115.22 110.86 3kql n HIS 246 Ca -0.25 -0.61 -0.27 0.00 -0.26 0.00 0.00 57.72 56.34 3kql n HIS 246 Cb 0.81 -0.10 0.05 0.00 1.12 0.00 0.00 29.99 31.87 3kql n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kql n GLY 247 N 0.10 -1.00 3.40 -1.41 0.00 -0.92 -4.96 105.19 100.40 3kql n GLY 247 Ca 0.13 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.64 3kql n GLY 247 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kql s ILE 248 N -3.46 -0.70 -0.64 -0.61 2.07 -1.07 -4.99 121.20 111.80 3kql s ILE 248 Ca 0.44 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.46 3kql s ILE 248 Cb -0.13 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.53 3kql s ILE 248 CO 0.83 0.00 0.93 -0.62 -1.91 0.00 0.00 174.94 174.17 3kql s ASP 249 N 2.71 6.20 0.81 4.50 3.68 -1.26 -2.83 116.67 130.47 3kql s ASP 249 Ca 0.00 -0.93 -0.12 0.00 2.13 0.00 0.00 52.55 53.64 3kql s ASP 249 Cb -0.10 -2.41 0.08 0.00 -1.45 0.00 0.00 42.92 39.04 3kql s ASP 249 CO -0.18 -1.38 1.14 -2.16 0.13 0.00 0.00 175.17 172.72 3kql s PRO 250 N 3.92 1.96 0.07 4.34 0.04 -1.26 -4.45 135.00 139.61 3kql s PRO 250 Ca 0.22 0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.32 3kql s PRO 250 Cb -0.17 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3kql s PRO 250 CO 0.11 -1.64 0.85 -0.80 0.04 0.00 0.00 177.00 175.56 3kql s ASN 251 N -4.27 7.32 -0.08 6.66 0.01 -0.73 -4.69 114.94 119.17 3kql s ASN 251 Ca 0.61 1.58 0.03 0.00 -0.71 0.00 0.00 52.86 54.38 3kql s ASN 251 Cb -0.13 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 3kql s ASN 251 CO 0.52 -0.03 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.27 3kql s ILE 252 N 0.04 2.74 -0.12 0.60 -1.09 -0.06 -0.15 121.20 123.15 3kql s ILE 252 Ca 0.42 -0.81 -0.04 0.00 -2.23 0.00 0.00 60.65 58.00 3kql s ILE 252 Cb -0.22 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.63 3kql s ILE 252 CO 0.26 0.56 0.07 -0.13 -1.23 0.00 0.00 174.94 174.47 3kql s ARG 253 N -0.17 0.09 0.21 2.79 0.52 0.39 -0.01 118.95 122.78 3kql s ARG 253 Ca -0.01 0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.23 3kql s ARG 253 Cb -0.14 -1.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 3kql s ARG 253 CO 0.03 -0.53 0.20 0.95 0.02 0.00 0.00 175.30 175.98 3kql s THR 254 N 2.12 0.00 0.32 0.02 -4.23 -0.23 -2.25 115.64 111.38 3kql s THR 254 Ca 0.03 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3kql s THR 254 Cb -0.14 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.49 3kql s THR 254 CO -0.07 -0.00 1.94 1.23 -0.54 0.00 0.00 174.62 177.19 3kql h GLY 255 N 2.55 0.96 0.74 3.99 0.00 -1.97 -3.21 103.07 106.13 3kql h GLY 255 Ca -0.34 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.41 3kql h GLY 255 CO 0.49 0.40 -1.58 3.33 0.00 0.00 0.00 176.54 179.18 3kql n VAL 256 N -4.38 1.04 -3.81 4.60 0.24 -1.26 -4.96 118.33 109.79 3kql n VAL 256 Ca 0.06 -0.68 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 3kql n VAL 256 Cb 0.09 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 31.77 3kql n VAL 256 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kql s ARG 257 N -2.97 0.41 -0.03 7.34 3.52 -1.21 -5.15 118.95 120.86 3kql s ARG 257 Ca -0.04 0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3kql s ARG 257 Cb 0.09 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3kql s ARG 257 CO 0.82 -0.09 0.07 0.95 -0.81 0.00 0.00 175.30 176.25 3kql s THR 258 N -0.60 -0.02 -0.14 4.11 -4.23 -1.26 -1.06 115.64 112.44 3kql s THR 258 Ca -0.07 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 3kql s THR 258 Cb -0.04 -0.12 0.02 0.00 1.34 0.00 0.00 72.50 73.69 3kql s THR 258 CO 0.01 0.04 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.33 3kql s ILE 259 N 0.50 1.71 -0.17 2.99 1.01 0.99 -4.95 121.20 123.28 3kql s ILE 259 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3kql s ILE 259 Cb -0.06 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3kql s ILE 259 CO -0.02 0.48 -0.06 -0.89 0.00 0.00 0.00 174.94 174.46 3kql s THR 260 N 1.17 3.57 0.00 2.92 2.01 -1.26 -0.88 115.64 123.17 3kql s THR 260 Ca -0.01 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3kql s THR 260 Cb -0.14 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.80 3kql s THR 260 CO -0.06 0.48 0.00 0.35 -0.69 0.00 0.00 174.62 174.70 3kql n THR 261 N 3.88 0.00 -0.51 -0.82 -2.24 -1.26 -5.02 114.28 108.31 3kql n THR 261 Ca -0.18 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3kql n THR 261 Cb 0.52 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3kql n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kql n GLY 262 N 0.90 0.99 3.60 3.38 0.00 -1.26 -5.05 105.19 107.75 3kql n GLY 262 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kql n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kql n ALA 263 N -0.26 -1.43 1.30 4.61 0.00 -1.26 -4.89 120.51 118.57 3kql n ALA 263 Ca 0.00 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 52.92 3kql n ALA 263 Cb 0.00 -2.09 0.67 0.00 0.00 0.00 0.00 19.45 18.03 3kql n ALA 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kql n PRO 264 N -3.83 0.46 -5.01 0.00 -0.04 -1.26 -4.71 135.00 120.60 3kql n PRO 264 Ca 0.10 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 3kql n PRO 264 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 3kql n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kql s ILE 265 N -2.44 2.60 -0.05 0.52 1.01 -1.26 -0.07 121.20 121.50 3kql s ILE 265 Ca 0.27 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3kql s ILE 265 Cb 0.17 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3kql s ILE 265 CO 0.37 0.56 -0.12 -0.89 0.00 0.00 0.00 174.94 174.86 3kql s THR 266 N 0.02 1.06 -0.17 2.92 2.01 0.19 -1.77 115.64 119.90 3kql s THR 266 Ca -0.07 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 3kql s THR 266 Cb -0.15 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 3kql s THR 266 CO 0.05 0.33 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.96 3kql s TYR 267 N 0.51 2.99 0.08 4.92 1.51 0.78 -0.31 117.35 127.84 3kql s TYR 267 Ca -0.11 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 55.48 3kql s TYR 267 Cb -0.14 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 3kql s TYR 267 CO 0.03 -0.18 -0.03 0.45 -1.11 0.00 0.00 175.55 174.71 3kql s SER 268 N 0.68 0.65 0.50 2.29 0.15 -0.45 -0.46 113.70 117.06 3kql s SER 268 Ca -0.02 -1.03 -0.04 0.00 0.70 0.00 0.00 55.95 55.56 3kql s SER 268 Cb -0.14 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 3kql s SER 268 CO 0.02 -0.58 0.78 0.42 1.20 0.00 0.00 173.24 175.08 3kql s THR 269 N -3.85 4.41 0.20 6.45 -4.23 -0.96 -0.91 115.64 116.75 3kql s THR 269 Ca 0.11 -0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3kql s THR 269 Cb 0.07 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.34 3kql s THR 269 CO -0.07 -0.63 1.71 1.88 -0.54 0.00 0.00 174.62 176.97 3kql h TYR 270 N 0.18 1.19 -0.11 3.99 0.05 -1.35 -1.81 116.97 119.12 3kql h TYR 270 Ca -0.47 -0.15 0.02 0.00 0.05 0.00 0.00 58.73 58.18 3kql h TYR 270 Cb 1.23 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 3kql h TYR 270 CO 0.52 0.98 0.01 0.78 -1.05 0.00 0.00 178.16 179.40 3kql h GLY 271 N 1.07 0.11 1.35 3.88 0.00 -1.85 -0.82 103.07 106.80 3kql h GLY 271 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 3kql h GLY 271 CO 0.01 -0.01 -0.06 1.70 0.00 0.00 0.00 176.54 178.18 3kql h LYS 272 N 0.05 0.78 -0.31 4.80 1.63 -1.85 -0.87 116.57 120.81 3kql h LYS 272 Ca 0.05 -0.24 0.03 0.00 -0.85 0.00 0.00 60.65 59.64 3kql h LYS 272 Cb 0.05 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3kql h LYS 272 CO -0.08 0.83 0.12 0.35 -3.45 0.00 0.00 179.45 177.22 3kql h PHE 273 N 0.72 0.22 -0.24 1.91 3.57 -1.04 0.94 116.94 123.02 3kql h PHE 273 Ca 0.13 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3kql h PHE 273 Cb 0.53 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3kql h PHE 273 CO 0.03 0.11 0.07 -0.07 -2.23 0.00 0.00 178.31 176.21 3kql h LEU 274 N 0.26 0.36 -2.24 0.59 3.38 -0.85 -0.76 115.31 116.06 3kql h LEU 274 Ca 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kql h LEU 274 Cb 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kql h LEU 274 CO -0.12 0.49 -0.01 0.00 0.09 0.00 0.00 178.44 178.88 3kql h ALA 275 N 0.89 1.68 -0.01 1.53 0.00 -0.76 0.44 119.26 123.04 3kql h ALA 275 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kql h ALA 275 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kql h ALA 275 CO -0.00 0.02 -0.06 -0.25 0.00 0.00 0.00 179.25 178.95 3kql n ASP 276 N -4.10 0.77 0.00 0.00 8.00 0.29 -4.92 116.55 116.59 3kql n ASP 276 Ca -0.03 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3kql n ASP 276 Cb 0.10 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3kql n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kql n GLY 277 N 1.19 0.96 7.00 0.44 0.00 0.15 -4.25 105.19 110.67 3kql n GLY 277 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3kql n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kql n GLY 278 N -1.62 -0.13 0.34 -0.02 0.00 -0.32 -3.60 105.19 99.83 3kql n GLY 278 Ca 0.00 -1.01 0.21 0.00 0.00 0.00 0.00 46.02 45.22 3kql n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kql n SER 280 N -3.14 0.00 -0.77 0.00 3.41 -1.24 -3.10 113.62 108.79 3kql n SER 280 Ca -0.03 -0.19 0.05 0.00 -0.26 0.00 0.00 58.87 58.44 3kql n SER 280 Cb 0.12 -0.26 0.17 0.00 -0.26 0.00 0.00 64.21 63.97 3kql n SER 280 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kql n GLY 281 N 1.16 0.99 0.00 5.00 0.00 0.21 -4.92 105.19 107.63 3kql n GLY 281 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3kql n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kql n GLY 282 N 0.92 3.00 3.39 -0.02 0.00 -1.18 -5.03 105.19 106.27 3kql n GLY 282 Ca 0.12 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3kql n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kql s ALA 283 N -1.86 3.32 0.16 4.61 0.00 -1.26 -4.81 121.76 121.91 3kql s ALA 283 Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 51.96 50.33 3kql s ALA 283 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3kql s ALA 283 CO 0.00 -1.42 -0.20 0.71 0.00 0.00 0.00 175.76 174.85 3kql s TYR 284 N 1.57 2.42 -0.08 0.00 1.51 -1.26 -4.99 117.35 116.53 3kql s TYR 284 Ca 0.02 -0.31 -0.19 0.00 -1.01 0.00 0.00 57.07 55.58 3kql s TYR 284 Cb -0.19 -1.23 -0.29 0.00 -0.11 0.00 0.00 41.96 40.13 3kql s TYR 284 CO 0.07 0.45 0.73 -0.44 -1.11 0.00 0.00 175.55 175.25 3kql h ASP 285 N 3.37 0.42 -4.41 2.29 3.45 -1.65 -3.32 116.42 116.57 3kql h ASP 285 Ca -0.48 -0.90 -0.61 0.00 0.43 0.00 0.00 57.03 55.47 3kql h ASP 285 Cb 1.19 -0.14 -0.29 0.00 -0.56 0.00 0.00 39.33 39.54 3kql h ASP 285 CO 0.47 1.50 -0.86 -0.63 -1.57 0.00 0.00 179.24 178.16 3kql s ILE 286 N -2.45 1.68 -0.18 0.35 1.01 -0.64 -1.27 121.20 119.70 3kql s ILE 286 Ca -0.17 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 3kql s ILE 286 Cb 0.03 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 41.13 3kql s ILE 286 CO 0.80 0.42 -0.04 -0.63 0.00 0.00 0.00 174.94 175.48 3kql s ILE 287 N -0.56 1.11 -0.18 2.92 1.01 -0.42 -1.46 121.20 123.62 3kql s ILE 287 Ca 0.08 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 3kql s ILE 287 Cb -0.08 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3kql s ILE 287 CO -0.00 0.05 0.46 -0.63 0.00 0.00 0.00 174.94 174.81 3kql s ILE 288 N 1.62 5.17 -0.81 2.92 -1.09 0.63 -0.67 121.20 128.97 3kql s ILE 288 Ca -0.01 0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 59.19 3kql s ILE 288 Cb -0.16 -3.79 0.21 0.00 -1.58 0.00 0.00 42.46 37.14 3kql s ILE 288 CO -0.07 0.25 0.71 0.00 -1.23 0.00 0.00 174.94 174.59 3kql s ASP 290 N 1.19 4.58 -1.63 0.00 -0.00 -0.48 -1.95 116.67 118.38 3kql s ASP 290 Ca 0.21 2.00 -0.15 0.00 -0.00 0.00 0.00 52.55 54.61 3kql s ASP 290 Cb -0.13 -2.55 0.12 0.00 -0.00 0.00 0.00 42.92 40.36 3kql s ASP 290 CO -0.08 -1.98 0.74 -0.62 -0.00 0.00 0.00 175.17 173.23 3kql n GLU 291 N -3.00 -3.46 0.15 8.23 -0.58 -0.63 -4.69 120.64 116.65 3kql n GLU 291 Ca 0.10 0.40 0.10 0.00 -0.42 0.00 0.00 57.16 57.35 3kql n GLU 291 Cb 0.52 -5.04 0.54 0.00 -0.57 0.00 0.00 31.44 26.89 3kql n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kql h HIS 293 N 0.00 0.00 -2.27 0.00 2.07 -1.86 -3.43 115.15 109.66 3kql h HIS 293 Ca 0.00 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.91 3kql h HIS 293 Cb 0.01 0.00 0.12 0.00 2.57 0.00 0.00 27.41 30.11 3kql h HIS 293 CO 0.00 0.18 -0.05 0.43 -3.07 0.00 0.00 177.93 175.43 3kql n SER 294 N -3.26 0.58 -0.65 3.10 7.64 0.41 -4.82 113.62 116.62 3kql n SER 294 Ca 0.01 1.12 0.05 0.00 1.01 0.00 0.00 58.87 61.06 3kql n SER 294 Cb 0.46 -1.22 0.20 0.00 -1.01 0.00 0.00 64.21 62.64 3kql n SER 294 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kql n THR 295 N -0.03 2.23 -3.14 0.44 -2.24 -1.26 -4.65 114.28 105.62 3kql n THR 295 Ca 0.11 -2.65 -0.32 0.00 -2.27 0.00 0.00 64.05 58.92 3kql n THR 295 Cb 0.33 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 3kql n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kql s ASP 296 N -2.76 6.75 0.15 3.42 1.47 -1.26 -4.94 116.67 119.50 3kql s ASP 296 Ca 0.39 1.25 -0.20 0.00 1.18 0.00 0.00 52.55 55.17 3kql s ASP 296 Cb 0.35 -2.36 0.05 0.00 -0.34 0.00 0.00 42.92 40.62 3kql s ASP 296 CO -0.00 -0.21 1.66 0.77 0.68 0.00 0.00 175.17 178.07 3kql h SER 297 N 2.22 -0.47 -0.63 2.11 4.64 -1.95 -1.94 113.55 117.52 3kql h SER 297 Ca -0.48 0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.06 3kql h SER 297 Cb 1.17 0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 63.45 3kql h SER 297 CO 0.66 -0.18 0.22 0.74 -0.87 0.00 0.00 176.83 177.40 3kql h THR 298 N -0.10 0.74 -0.33 2.95 2.02 -1.94 0.79 112.91 117.04 3kql h THR 298 Ca 0.15 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 3kql h THR 298 Cb 0.33 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3kql h THR 298 CO -0.35 0.07 -0.06 0.74 0.37 0.00 0.00 175.52 176.29 3kql h THR 299 N 0.39 1.27 -0.75 3.16 2.02 -1.83 0.97 112.91 118.15 3kql h THR 299 Ca 0.32 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3kql h THR 299 Cb 0.43 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 3kql h THR 299 CO -0.33 0.36 0.49 0.40 0.37 0.00 0.00 175.52 176.80 3kql h ILE 300 N 0.41 1.20 -0.38 3.11 1.08 -0.82 -0.61 117.51 121.50 3kql h ILE 300 Ca 0.09 -0.36 -0.14 0.00 -0.39 0.00 0.00 64.86 64.05 3kql h ILE 300 Cb 0.55 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3kql h ILE 300 CO 0.03 0.19 -0.31 0.25 -0.69 0.00 0.00 178.15 177.62 3kql h LEU 301 N 1.02 0.93 0.20 1.44 6.46 -0.66 -2.18 115.31 122.50 3kql h LEU 301 Ca 0.27 -0.45 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 3kql h LEU 301 Cb -0.11 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.57 3kql h LEU 301 CO -0.06 1.18 -0.09 1.23 -0.62 0.00 0.00 178.44 180.08 3kql h GLY 302 N 0.68 -0.27 1.01 3.75 0.00 -0.41 -1.40 103.07 106.42 3kql h GLY 302 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.51 3kql h GLY 302 CO 0.08 -0.10 0.65 -2.22 0.00 0.00 0.00 176.54 174.95 3kql h ILE 303 N -0.39 1.25 -0.06 2.60 2.04 -1.16 -0.36 117.51 121.43 3kql h ILE 303 Ca -0.03 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3kql h ILE 303 Cb 0.30 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3kql h ILE 303 CO 0.04 0.24 -0.14 1.23 0.00 0.00 0.00 178.15 179.53 3kql h GLY 304 N 1.33 0.10 0.91 5.37 0.00 -1.21 -0.51 103.07 109.06 3kql h GLY 304 Ca 0.36 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 3kql h GLY 304 CO -0.08 0.05 -0.25 -0.84 0.00 0.00 0.00 176.54 175.42 3kql h THR 305 N 0.09 1.31 -0.20 4.70 2.02 0.03 -2.83 112.91 118.03 3kql h THR 305 Ca 0.02 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 3kql h THR 305 Cb 0.30 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3kql h THR 305 CO 0.02 0.44 0.12 0.58 0.37 0.00 0.00 175.52 177.06 3kql h VAL 306 N 0.33 1.08 0.00 3.16 2.07 -0.67 -0.96 116.25 121.26 3kql h VAL 306 Ca 0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kql h VAL 306 Cb 0.81 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3kql h VAL 306 CO 0.06 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 3kql h LEU 307 N 0.25 0.00 0.00 2.57 3.38 -1.10 0.15 115.31 120.56 3kql h LEU 307 Ca 0.07 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.69 3kql h LEU 307 Cb 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3kql h LEU 307 CO -0.01 0.00 -2.23 -0.67 0.09 0.00 0.00 178.44 175.61 3kql n ASP 308 N -2.46 0.48 -0.04 -0.43 2.03 -1.01 -4.68 116.55 110.44 3kql n ASP 308 Ca 0.01 0.09 -0.00 0.00 0.52 0.00 0.00 54.79 55.40 3kql n ASP 308 Cb 0.19 0.55 -0.10 0.00 -0.72 0.00 0.00 41.12 41.04 3kql n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kql n GLN 309 N -2.90 1.30 -0.21 -0.67 6.02 -0.40 -4.74 117.38 115.78 3kql n GLN 309 Ca -0.31 -0.06 -0.05 0.00 -0.01 0.00 0.00 57.00 56.58 3kql n GLN 309 Cb 1.11 -1.31 0.01 0.00 1.02 0.00 0.00 30.24 31.07 3kql n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kql h ALA 310 N 0.87 -0.01 0.17 -1.58 0.00 -1.16 0.12 119.26 117.68 3kql h ALA 310 Ca -0.19 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kql h ALA 310 Cb 1.25 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 3kql h ALA 310 CO 0.01 -0.66 -0.23 1.49 0.00 0.00 0.00 179.25 179.86 3kql h GLU 311 N -0.15 -0.44 0.00 0.00 4.81 -1.81 -0.01 114.58 116.99 3kql h GLU 311 Ca 0.24 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3kql h GLU 311 Cb 0.55 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 3kql h GLU 311 CO -0.70 -0.29 -0.16 1.15 -0.73 0.00 0.00 179.01 178.28 3kql h THR 312 N -0.45 0.99 0.00 0.32 2.02 -1.78 -0.45 112.91 113.55 3kql h THR 312 Ca 0.01 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3kql h THR 312 Cb 0.45 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3kql h THR 312 CO -0.09 0.15 0.00 0.00 0.37 0.00 0.00 175.52 175.96 3kql n ALA 313 N -2.45 1.99 -0.00 6.16 0.00 0.40 -4.86 120.51 121.74 3kql n ALA 313 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kql n ALA 313 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3kql n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kql n GLY 314 N 0.58 0.81 3.74 0.00 0.00 -0.18 -4.75 105.19 105.39 3kql n GLY 314 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3kql n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kql s ALA 315 N -2.00 3.38 -0.71 4.61 0.00 -0.10 -4.76 121.76 122.17 3kql s ALA 315 Ca 0.00 0.83 0.18 0.00 0.00 0.00 0.00 51.96 52.97 3kql s ALA 315 Cb 0.00 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.57 3kql s ALA 315 CO 0.00 -0.20 0.70 2.89 0.00 0.00 0.00 175.76 179.14 3kql n ARG 316 N 2.18 1.09 -3.67 0.00 1.85 -0.40 -4.31 116.66 113.40 3kql n ARG 316 Ca 0.02 -0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 3kql n ARG 316 Cb 0.46 -1.35 -0.10 0.00 -1.05 0.00 0.00 32.46 30.43 3kql n ARG 316 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3kql s LEU 317 N -3.04 -0.48 -0.16 2.89 2.96 -1.14 -2.29 118.68 117.42 3kql s LEU 317 Ca 0.05 1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.95 3kql s LEU 317 Cb 0.13 1.44 -0.01 0.00 0.50 0.00 0.00 46.19 48.25 3kql s LEU 317 CO 0.73 -0.22 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.74 3kql s VAL 318 N 2.12 3.05 -0.20 1.68 1.01 -0.60 -1.29 120.40 126.17 3kql s VAL 318 Ca -0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3kql s VAL 318 Cb -0.10 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3kql s VAL 318 CO -0.13 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 3kql s VAL 319 N 0.76 3.42 -0.57 2.92 1.01 0.16 -0.83 120.40 127.27 3kql s VAL 319 Ca -0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3kql s VAL 319 Cb -0.15 -2.53 0.13 0.00 0.00 0.00 0.00 36.38 33.83 3kql s VAL 319 CO 0.01 0.45 0.55 -0.76 0.00 0.00 0.00 175.10 175.35 3kql s LEU 320 N 1.16 6.14 -0.04 3.92 1.43 0.37 0.89 118.68 132.55 3kql s LEU 320 Ca 0.02 -1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 51.26 3kql s LEU 320 Cb -0.14 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3kql s LEU 320 CO -0.01 -0.87 0.14 0.00 0.23 0.00 0.00 176.35 175.84 3kql s ALA 321 N 1.62 3.82 -0.25 4.21 0.00 -0.82 -1.24 121.76 129.09 3kql s ALA 321 Ca 0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3kql s ALA 321 Cb -0.28 -1.81 0.17 0.00 0.00 0.00 0.00 23.12 21.20 3kql s ALA 321 CO 0.02 0.69 1.24 -0.08 0.00 0.00 0.00 175.76 177.64 3kql s THR 322 N -1.20 0.00 -1.80 0.00 -1.32 -0.65 -1.60 115.64 109.07 3kql s THR 322 Ca 0.22 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.96 3kql s THR 322 Cb -0.12 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.04 3kql s THR 322 CO 0.13 0.00 1.42 0.00 -2.21 0.00 0.00 174.62 173.96 3kql n ALA 323 N 0.77 3.26 -3.34 11.08 0.00 -1.24 -3.16 120.51 127.86 3kql n ALA 323 Ca -0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 3kql n ALA 323 Cb 0.58 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 3kql n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kql n THR 324 N -0.51 -0.62 -1.12 0.00 -2.24 -1.26 -4.78 114.28 103.75 3kql n THR 324 Ca 0.11 -3.86 -0.32 0.00 -2.27 0.00 0.00 64.05 57.71 3kql n THR 324 Cb 0.38 -1.84 0.12 0.00 -2.10 0.00 0.00 70.33 66.89 3kql n THR 324 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kql s PRO 325 N -0.69 1.77 0.12 -0.78 0.04 -1.26 -4.76 135.00 129.44 3kql s PRO 325 Ca 0.34 1.50 -0.35 0.00 0.04 0.00 0.00 61.00 62.53 3kql s PRO 325 Cb 0.09 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.66 3kql s PRO 325 CO -0.15 -2.07 1.33 -2.30 0.04 0.00 0.00 177.00 173.86 3kql n PRO 326 N -3.50 1.31 0.00 0.56 -0.02 -1.26 -1.69 135.00 130.40 3kql n PRO 326 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kql n PRO 326 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3kql n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kql n GLY 327 N 2.50 3.13 3.76 -1.23 0.00 -1.24 -4.90 105.19 107.21 3kql n GLY 327 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3kql n GLY 327 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kql s SER 328 N -0.62 5.10 0.20 1.61 1.04 -0.68 -4.86 113.70 115.48 3kql s SER 328 Ca 0.00 2.17 0.11 0.00 0.48 0.00 0.00 55.95 58.72 3kql s SER 328 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3kql s SER 328 CO 0.00 -1.64 -0.22 0.68 0.98 0.00 0.00 173.24 173.04 3kql s VAL 329 N -2.01 2.47 0.11 5.02 -7.23 -1.26 -4.76 120.40 112.74 3kql s VAL 329 Ca 0.71 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.58 3kql s VAL 329 Cb -0.25 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.39 3kql s VAL 329 CO 0.37 -0.13 1.87 0.41 -0.31 0.00 0.00 175.10 177.32 3kql n THR 330 N 0.19 0.45 -4.46 5.32 -1.04 -1.26 -4.99 114.28 108.50 3kql n THR 330 Ca -0.12 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.58 3kql n THR 330 Cb 0.56 -2.19 -0.10 0.00 -1.82 0.00 0.00 70.33 66.78 3kql n THR 330 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3kql s VAL 331 N 3.10 2.34 0.28 12.58 -7.23 -1.26 -5.10 120.40 125.11 3kql s VAL 331 Ca 0.83 -2.36 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 3kql s VAL 331 Cb -0.46 -2.29 -0.14 0.00 0.56 0.00 0.00 36.38 34.05 3kql s VAL 331 CO 0.38 -0.41 1.19 -2.65 -0.31 0.00 0.00 175.10 173.29 3kql n PRO 332 N -0.60 1.68 -4.07 4.82 -0.02 -1.26 -4.98 135.00 130.58 3kql n PRO 332 Ca -0.05 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 3kql n PRO 332 Cb 0.60 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 3kql n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kql s HIS 333 N -0.77 3.14 -0.06 6.00 2.46 -1.26 -5.00 115.29 119.79 3kql s HIS 333 Ca 0.61 -0.17 0.16 0.00 0.47 0.00 0.00 55.06 56.14 3kql s HIS 333 Cb -0.67 -2.08 0.89 0.00 -0.13 0.00 0.00 32.58 30.59 3kql s HIS 333 CO 0.58 -0.03 1.44 -0.35 -2.47 0.00 0.00 174.74 173.90 3kql n PRO 334 N 3.87 0.11 -0.00 2.88 -0.04 -1.26 -1.70 135.00 138.86 3kql n PRO 334 Ca -0.17 0.60 0.01 0.00 -0.04 0.00 0.00 63.50 63.90 3kql n PRO 334 Cb 0.52 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3kql n PRO 334 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kql n ASN 335 N -2.13 1.29 -4.20 3.54 5.03 -1.26 -5.02 115.26 112.50 3kql n ASN 335 Ca -0.01 -1.17 -0.31 0.00 0.87 0.00 0.00 54.58 53.95 3kql n ASN 335 Cb 0.21 -0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.80 3kql n ASN 335 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kql s ILE 336 N -0.27 1.96 -0.13 2.41 1.01 -0.69 -1.04 121.20 124.46 3kql s ILE 336 Ca 0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 3kql s ILE 336 Cb 0.02 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3kql s ILE 336 CO 0.03 0.54 0.01 -0.70 0.00 0.00 0.00 174.94 174.82 3kql s GLU 337 N 0.33 3.39 -0.22 2.79 2.12 -0.54 -4.49 118.70 122.09 3kql s GLU 337 Ca -0.17 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 54.67 3kql s GLU 337 Cb -0.17 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3kql s GLU 337 CO 0.08 0.49 0.06 -1.21 -0.54 0.00 0.00 175.26 174.15 3kql s GLU 338 N -0.29 3.80 -0.11 4.30 2.02 -1.26 -0.29 118.70 126.86 3kql s GLU 338 Ca 0.06 -0.42 -0.00 0.00 0.02 0.00 0.00 54.97 54.63 3kql s GLU 338 Cb -0.12 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.87 3kql s GLU 338 CO 0.02 0.03 -0.08 0.08 0.02 0.00 0.00 175.26 175.32 3kql s VAL 339 N 1.03 1.08 0.30 2.63 1.01 -0.39 -4.96 120.40 121.10 3kql s VAL 339 Ca 0.04 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3kql s VAL 339 Cb -0.14 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 3kql s VAL 339 CO 0.03 0.38 1.11 0.00 0.00 0.00 0.00 175.10 176.61 3kql s ALA 340 N 1.65 3.38 0.68 5.51 0.00 -1.26 -3.24 121.76 128.47 3kql s ALA 340 Ca 0.04 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 3kql s ALA 340 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3kql s ALA 340 CO -0.08 -0.21 1.07 -0.51 0.00 0.00 0.00 175.76 176.03 3kql s LEU 341 N -1.61 3.02 0.00 0.00 1.43 -0.66 -4.89 118.68 115.97 3kql s LEU 341 Ca 0.46 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 3kql s LEU 341 Cb -0.32 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 3kql s LEU 341 CO 0.41 -1.26 0.06 -1.54 0.23 0.00 0.00 176.35 174.25 3kql n SER 342 N -2.98 0.26 0.00 2.29 3.41 -1.26 -4.92 113.62 110.42 3kql n SER 342 Ca 0.07 -1.57 0.09 0.00 -0.26 0.00 0.00 58.87 57.20 3kql n SER 342 Cb 0.55 0.38 0.43 0.00 -0.26 0.00 0.00 64.21 65.31 3kql n SER 342 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kql n SER 343 N -2.38 0.00 -4.67 4.04 7.64 -1.26 -0.87 113.62 116.12 3kql n SER 343 Ca 0.01 0.39 -0.39 0.00 1.01 0.00 0.00 58.87 59.88 3kql n SER 343 Cb 0.16 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 3kql n SER 343 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kql s THR 344 N -2.90 5.11 0.00 0.44 2.01 -1.26 -4.70 115.64 114.34 3kql s THR 344 Ca 0.11 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.09 3kql s THR 344 Cb 0.13 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3kql s THR 344 CO 0.34 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 3kql n GLY 345 N 3.81 4.07 0.50 4.40 0.00 -1.26 -4.37 105.19 112.34 3kql n GLY 345 Ca -0.05 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.29 3kql n GLY 345 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kql n GLU 346 N -1.42 1.68 -4.03 1.61 0.00 -1.23 -4.63 120.64 112.62 3kql n GLU 346 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 57.16 55.85 3kql n GLU 346 Cb 0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 31.44 29.84 3kql n GLU 346 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kql s ILE 347 N -1.91 1.95 0.33 3.84 1.01 -1.15 -4.97 121.20 120.29 3kql s ILE 347 Ca 0.36 -1.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.22 3kql s ILE 347 Cb 0.19 -2.12 -0.12 0.00 0.01 0.00 0.00 42.46 40.43 3kql s ILE 347 CO 0.30 -0.06 1.50 -2.65 0.00 0.00 0.00 174.94 174.04 3kql n PRO 348 N 4.51 2.55 -3.27 2.79 -0.02 -1.26 -0.42 135.00 139.88 3kql n PRO 348 Ca -0.13 0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 62.20 3kql n PRO 348 Cb 0.43 -2.63 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 3kql n PRO 348 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3kql s PHE 349 N -0.56 -1.18 -1.51 6.00 5.36 0.09 -4.83 117.98 121.34 3kql s PHE 349 Ca 0.59 0.82 -0.03 0.00 -0.96 0.00 0.00 56.93 57.35 3kql s PHE 349 Cb -0.51 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 3kql s PHE 349 CO 0.56 -0.91 0.09 0.66 -1.46 0.00 0.00 175.22 174.16 3kql n TYR 350 N 5.38 -1.31 0.00 10.12 4.02 -1.26 -0.34 117.16 133.78 3kql n TYR 350 Ca -0.00 0.58 0.00 0.00 -0.01 0.00 0.00 57.90 58.47 3kql n TYR 350 Cb 0.51 -2.88 0.00 0.00 -0.02 0.00 0.00 39.34 36.94 3kql n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kql n GLY 351 N -2.50 2.50 0.00 2.72 0.00 -1.26 -4.99 105.19 101.66 3kql n GLY 351 Ca -0.31 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3kql n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kql n LYS 352 N 0.00 1.81 -4.12 1.61 4.76 0.54 -4.88 118.16 117.88 3kql n LYS 352 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 3kql n LYS 352 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3kql n LYS 352 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kql s ALA 353 N -2.43 0.70 -0.22 7.82 0.00 -0.04 -0.74 121.76 126.85 3kql s ALA 353 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.72 3kql s ALA 353 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.38 3kql s ALA 353 CO 0.00 -0.31 -0.14 0.42 0.00 0.00 0.00 175.76 175.73 3kql s ILE 354 N -3.76 2.21 -0.05 0.00 1.01 0.44 -4.24 121.20 116.81 3kql s ILE 354 Ca 0.09 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.19 3kql s ILE 354 Cb 0.07 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 3kql s ILE 354 CO -0.08 0.26 1.54 -2.84 0.00 0.00 0.00 174.94 173.82 3kql s PRO 355 N 1.21 4.21 0.56 2.79 0.02 -1.26 -2.92 135.00 139.61 3kql s PRO 355 Ca -0.02 2.08 0.31 0.00 0.02 0.00 0.00 61.00 63.39 3kql s PRO 355 Cb -0.16 -3.83 1.46 0.00 0.02 0.00 0.00 34.50 31.99 3kql s PRO 355 CO -0.09 -0.76 1.86 0.82 -0.33 0.00 0.00 177.00 178.50 3kql h ILE 356 N 5.36 0.45 -0.57 2.83 2.04 -1.96 0.52 117.51 126.19 3kql h ILE 356 Ca -0.37 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3kql h ILE 356 Cb 1.17 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3kql h ILE 356 CO 0.94 0.00 0.29 -0.08 0.00 0.00 0.00 178.15 179.30 3kql h GLU 357 N 0.00 0.78 0.00 2.37 4.22 -1.99 0.87 114.58 120.84 3kql h GLU 357 Ca 0.37 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.72 3kql h GLU 357 Cb 1.64 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3kql h GLU 357 CO -0.00 0.59 0.00 0.25 -2.18 0.00 0.00 179.01 177.67 3kql n THR 358 N -4.38 1.11 -0.75 0.32 -2.24 0.17 -3.26 114.28 105.26 3kql n THR 358 Ca 0.05 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 3kql n THR 358 Cb 0.11 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 3kql n THR 358 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3kql n ILE 359 N -1.74 0.00 -0.15 2.28 -5.35 -0.80 -4.84 119.36 108.77 3kql n ILE 359 Ca 0.02 -0.07 0.29 0.00 -0.27 0.00 0.00 62.75 62.72 3kql n ILE 359 Cb 0.15 1.75 0.69 0.00 -1.74 0.00 0.00 39.64 40.49 3kql n ILE 359 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3kql h LYS 360 N 0.00 0.00 0.00 6.28 3.64 0.78 -3.43 116.57 123.84 3kql h LYS 360 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3kql h LYS 360 Cb 0.37 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3kql h LYS 360 CO 0.00 0.00 -0.08 0.41 -2.27 0.00 0.00 179.45 177.51 3kql n GLY 361 N -1.66 3.33 7.00 5.01 0.00 -1.26 -5.00 105.19 112.60 3kql n GLY 361 Ca 0.18 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kql n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kql n GLY 362 N -0.16 -0.87 3.33 -0.02 0.00 -1.26 -4.80 105.19 101.41 3kql n GLY 362 Ca 0.01 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3kql n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kql s ARG 363 N 0.00 3.33 0.02 1.61 0.52 -1.26 -1.63 118.95 121.55 3kql s ARG 363 Ca 0.00 -0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 54.47 3kql s ARG 363 Cb 0.00 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 3kql s ARG 363 CO 0.00 0.14 0.04 -1.01 0.02 0.00 0.00 175.30 174.49 3kql s HIS 364 N 0.54 0.22 -0.13 -0.53 3.76 -0.45 0.52 115.29 119.21 3kql s HIS 364 Ca -0.09 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 3kql s HIS 364 Cb -0.16 -0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.38 3kql s HIS 364 CO 0.04 -0.28 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.27 3kql s LEU 365 N -1.75 2.07 -0.19 0.89 2.96 -0.98 -0.66 118.68 121.02 3kql s LEU 365 Ca -0.11 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.21 3kql s LEU 365 Cb -0.05 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3kql s LEU 365 CO -0.02 0.08 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.32 3kql s ILE 366 N 0.77 2.57 -0.16 6.68 1.01 0.93 -0.81 121.20 132.20 3kql s ILE 366 Ca -0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 3kql s ILE 366 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3kql s ILE 366 CO -0.01 0.50 0.43 -0.36 0.00 0.00 0.00 174.94 175.50 3kql s PHE 367 N 1.30 3.45 0.31 3.97 0.40 0.28 -0.74 117.98 126.95 3kql s PHE 367 Ca 0.04 0.75 0.10 0.00 -0.60 0.00 0.00 56.93 57.23 3kql s PHE 367 Cb -0.14 -2.52 -0.06 0.00 0.51 0.00 0.00 43.02 40.81 3kql s PHE 367 CO -0.08 0.10 -0.12 0.00 0.70 0.00 0.00 175.22 175.81 3kql n HIS 369 N -0.74 0.11 -3.95 0.00 1.44 -1.26 -4.38 115.22 106.43 3kql n HIS 369 Ca -0.05 0.03 -0.08 0.00 -2.01 0.00 0.00 57.72 55.61 3kql n HIS 369 Cb 0.62 -0.35 -0.09 0.00 0.12 0.00 0.00 29.99 30.29 3kql n HIS 369 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3kql s SER 370 N -3.25 0.25 0.29 4.39 1.04 -1.26 -4.81 113.70 110.36 3kql s SER 370 Ca 0.10 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.84 3kql s SER 370 Cb 0.17 0.26 0.46 0.00 0.10 0.00 0.00 66.02 67.01 3kql s SER 370 CO 0.69 -0.62 1.74 0.11 0.98 0.00 0.00 173.24 176.14 3kql h LYS 371 N 3.14 0.42 -0.08 4.02 1.57 -1.98 -2.49 116.57 121.16 3kql h LYS 371 Ca -0.34 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3kql h LYS 371 Cb 1.18 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3kql h LYS 371 CO 0.58 0.65 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.82 3kql h LYS 372 N 0.37 -0.08 -0.33 3.15 3.64 -2.00 -1.47 116.57 119.86 3kql h LYS 372 Ca 0.05 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3kql h LYS 372 Cb 0.66 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3kql h LYS 372 CO 0.05 -0.05 -0.13 0.87 -2.27 0.00 0.00 179.45 177.92 3kql h LYS 373 N -0.08 0.57 -0.98 1.90 1.57 -1.95 -1.87 116.57 115.73 3kql h LYS 373 Ca 0.06 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3kql h LYS 373 Cb 0.16 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3kql h LYS 373 CO -0.13 0.68 0.65 0.00 -0.57 0.00 0.00 179.45 180.08 3kql h ASP 375 N 1.33 0.43 0.10 0.00 3.45 -0.90 -0.82 116.42 120.01 3kql h ASP 375 Ca 0.36 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 3kql h ASP 375 Cb -0.15 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 3kql h ASP 375 CO -0.08 0.91 -0.05 -0.33 -1.57 0.00 0.00 179.24 178.12 3kql h GLU 376 N 0.29 -0.13 0.38 3.56 5.08 -0.70 -2.66 114.58 120.39 3kql h GLU 376 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3kql h GLU 376 Cb 1.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kql h GLU 376 CO 0.10 0.28 -0.20 1.25 -1.00 0.00 0.00 179.01 179.43 3kql h LEU 377 N -0.59 -0.48 -0.87 1.33 6.46 -0.96 -1.17 115.31 119.03 3kql h LEU 377 Ca -0.01 0.02 0.18 0.00 -0.12 0.00 0.00 57.88 57.95 3kql h LEU 377 Cb 0.47 0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.43 3kql h LEU 377 CO 0.02 -0.33 0.41 0.00 -0.62 0.00 0.00 178.44 177.92 3kql h ALA 378 N 0.08 1.35 0.44 1.25 0.00 -1.23 0.84 119.26 121.99 3kql h ALA 378 Ca -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kql h ALA 378 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kql h ALA 378 CO 0.07 -0.22 -0.21 0.00 0.00 0.00 0.00 179.25 178.89 3kql h ALA 379 N 1.63 -0.59 -0.60 0.00 0.00 -1.21 -2.53 119.26 115.96 3kql h ALA 379 Ca 0.51 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.35 3kql h ALA 379 Cb 0.86 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3kql h ALA 379 CO -0.45 -0.69 0.07 -0.22 0.00 0.00 0.00 179.25 177.96 3kql h LYS 380 N -0.87 0.18 -0.36 0.00 3.64 -0.26 0.13 116.57 119.03 3kql h LYS 380 Ca -0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3kql h LYS 380 Cb 0.56 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3kql h LYS 380 CO 0.10 0.12 0.13 -0.07 -2.27 0.00 0.00 179.45 177.45 3kql h LEU 381 N 0.19 0.47 -0.65 5.20 3.38 -0.90 -1.03 115.31 121.96 3kql h LEU 381 Ca 0.31 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 3kql h LEU 381 Cb 0.49 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kql h LEU 381 CO -0.45 0.44 -0.59 0.28 0.09 0.00 0.00 178.44 178.21 3kql h SER 382 N 0.51 0.32 0.00 -0.43 0.02 -0.46 -2.12 113.55 111.39 3kql h SER 382 Ca 0.13 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kql h SER 382 Cb 0.14 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3kql h SER 382 CO -0.01 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 3kql n GLY 383 N 0.24 -0.62 0.00 -3.77 0.00 0.22 -1.53 105.19 99.73 3kql n GLY 383 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kql n GLY 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kql n LEU 384 N -0.56 1.66 0.00 0.99 4.32 -0.89 -4.98 117.00 117.54 3kql n LEU 384 Ca 0.02 -1.66 0.00 0.00 -0.02 0.00 0.00 56.01 54.35 3kql n LEU 384 Cb 0.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 3kql n LEU 384 CO 0.01 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 3kql n GLY 385 N -0.40 0.55 3.82 -0.72 0.00 -0.58 -5.05 105.19 102.82 3kql n GLY 385 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3kql n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kql s LEU 386 N 0.00 4.10 -1.10 0.99 1.43 -0.85 -5.03 118.68 118.22 3kql s LEU 386 Ca 0.00 0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 3kql s LEU 386 Cb 0.00 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.06 3kql s LEU 386 CO 0.00 0.32 1.48 0.21 0.23 0.00 0.00 176.35 178.59 3kql s ASN 387 N -1.49 6.67 -0.12 2.29 2.47 -1.26 -3.75 114.94 119.74 3kql s ASN 387 Ca 0.21 -1.98 -0.02 0.00 0.42 0.00 0.00 52.86 51.49 3kql s ASN 387 Cb -0.12 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.12 3kql s ASN 387 CO 0.11 -1.27 -0.06 0.00 -3.72 0.00 0.00 177.10 172.16 3kql s ALA 388 N 4.08 2.96 -0.01 1.71 0.00 -1.26 -1.41 121.76 127.83 3kql s ALA 388 Ca 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3kql s ALA 388 Cb 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 3kql s ALA 388 CO -0.04 0.34 -0.12 0.14 0.00 0.00 0.00 175.76 176.08 3kql s VAL 389 N -0.04 0.96 0.07 0.00 -7.23 -0.37 -4.82 120.40 108.97 3kql s VAL 389 Ca 0.01 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 3kql s VAL 389 Cb -0.13 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.94 3kql s VAL 389 CO 0.03 0.27 0.42 0.00 -0.31 0.00 0.00 175.10 175.51 3kql s ALA 390 N -0.23 3.70 -0.03 1.32 0.00 -1.26 -0.60 121.76 124.66 3kql s ALA 390 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 3kql s ALA 390 Cb -0.05 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.76 3kql s ALA 390 CO -0.00 0.54 0.08 -0.47 0.00 0.00 0.00 175.76 175.91 3kql s TYR 391 N -1.35 -0.08 0.17 0.00 6.14 0.22 -4.89 117.35 117.56 3kql s TYR 391 Ca 0.32 0.24 -0.17 0.00 0.64 0.00 0.00 57.07 58.09 3kql s TYR 391 Cb -0.14 -0.02 0.06 0.00 0.42 0.00 0.00 41.96 42.28 3kql s TYR 391 CO 0.17 -0.07 0.84 2.48 0.64 0.00 0.00 175.55 179.62 3kql n TYR 392 N 3.35 -1.29 -1.63 4.97 4.11 -1.26 -2.79 117.16 122.62 3kql n TYR 392 Ca -0.16 -1.09 -0.61 0.00 -0.00 0.00 0.00 57.90 56.04 3kql n TYR 392 Cb 0.57 0.53 -0.08 0.00 -0.00 0.00 0.00 39.34 40.36 3kql n TYR 392 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 3kql n ARG 393 N -0.59 0.38 0.00 -3.48 0.63 -1.26 -1.77 116.66 110.58 3kql n ARG 393 Ca -0.02 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3kql n ARG 393 Cb 0.48 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.70 3kql n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kql n GLY 394 N 2.95 3.06 3.76 5.14 0.00 -1.26 -5.05 105.19 113.80 3kql n GLY 394 Ca 0.24 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 3kql n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kql s LEU 395 N 0.00 3.83 0.05 0.99 1.43 -0.73 -4.95 118.68 119.31 3kql s LEU 395 Ca 0.00 2.37 -0.31 0.00 -1.03 0.00 0.00 54.13 55.16 3kql s LEU 395 Cb 0.00 -4.42 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 3kql s LEU 395 CO 0.00 -1.27 1.20 -0.62 0.23 0.00 0.00 176.35 175.89 3kql s ASP 396 N -1.45 7.07 0.07 2.29 2.15 -1.26 -4.87 116.67 120.68 3kql s ASP 396 Ca 0.71 2.01 0.05 0.00 0.43 0.00 0.00 52.55 55.74 3kql s ASP 396 Cb -0.30 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.00 3kql s ASP 396 CO 0.34 -0.48 1.11 0.52 -0.17 0.00 0.00 175.17 176.49 3kql n VAL 397 N 3.97 1.64 0.27 1.11 0.31 -1.26 -1.06 118.33 123.31 3kql n VAL 397 Ca 0.09 0.56 0.14 0.00 -0.01 0.00 0.00 64.34 65.12 3kql n VAL 397 Cb 0.46 -1.56 0.38 0.00 -0.91 0.00 0.00 33.84 32.22 3kql n VAL 397 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3kql h SER 398 N 0.00 0.00 -0.08 4.52 0.02 -2.03 -3.10 113.55 112.88 3kql h SER 398 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3kql h SER 398 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3kql h SER 398 CO 0.00 0.00 0.11 -0.37 -1.14 0.00 0.00 176.83 175.43 3kql h VAL 399 N 0.00 0.42 -3.48 2.27 -1.51 -1.49 -3.37 116.25 109.10 3kql h VAL 399 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.87 3kql h VAL 399 Cb 0.79 0.91 -0.11 0.00 -2.13 0.00 0.00 31.29 30.75 3kql h VAL 399 CO 0.00 0.00 0.59 -0.63 -1.23 0.00 0.00 177.57 176.30 3kql s ILE 400 N -4.56 4.42 0.07 7.19 1.01 -1.17 -4.99 121.20 123.16 3kql s ILE 400 Ca -0.05 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.88 3kql s ILE 400 Cb 0.15 -4.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 3kql s ILE 400 CO 0.52 -0.96 1.76 -2.16 0.00 0.00 0.00 174.94 174.10 3kql s PRO 401 N 3.88 4.17 0.30 2.79 0.04 -1.26 -4.84 135.00 140.08 3kql s PRO 401 Ca 0.35 2.44 0.22 0.00 0.04 0.00 0.00 61.00 64.05 3kql s PRO 401 Cb -0.11 -3.73 1.12 0.00 0.04 0.00 0.00 34.50 31.82 3kql s PRO 401 CO 0.24 -0.81 1.66 -2.37 0.04 0.00 0.00 177.00 175.75 3kql n THR 402 N 4.94 1.02 -3.92 1.26 5.66 -1.26 -4.75 114.28 117.22 3kql n THR 402 Ca 0.17 0.63 -0.09 0.00 -3.05 0.00 0.00 64.05 61.71 3kql n THR 402 Cb 0.40 -1.62 -0.07 0.00 -1.55 0.00 0.00 70.33 67.49 3kql n THR 402 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3kql s SER 403 N -4.06 0.06 0.00 1.09 0.15 -1.26 -5.02 113.70 104.66 3kql s SER 403 Ca -0.01 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.85 3kql s SER 403 Cb 0.07 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3kql s SER 403 CO 0.23 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.44 3kql n GLY 404 N -0.17 -1.51 3.76 9.45 0.00 -1.26 -4.92 105.19 110.53 3kql n GLY 404 Ca -0.10 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3kql n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kql s ASP 405 N -4.16 5.54 -0.27 1.61 1.11 -1.26 -4.73 116.67 114.51 3kql s ASP 405 Ca 0.00 2.65 -0.31 0.00 0.18 0.00 0.00 52.55 55.08 3kql s ASP 405 Cb 0.00 -2.63 0.18 0.00 1.07 0.00 0.00 42.92 41.54 3kql s ASP 405 CO 0.00 -1.38 1.33 0.54 1.18 0.00 0.00 175.17 176.84 3kql s VAL 406 N -1.36 0.00 -0.24 -1.27 0.11 -0.64 -4.90 120.40 112.09 3kql s VAL 406 Ca 0.69 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.73 3kql s VAL 406 Cb -0.37 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.55 3kql s VAL 406 CO 0.45 0.00 0.01 -0.63 -3.33 0.00 0.00 175.10 171.59 3kql s ILE 407 N -1.21 1.16 -0.29 7.04 1.01 -0.50 -1.34 121.20 127.07 3kql s ILE 407 Ca 0.09 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 3kql s ILE 407 Cb -0.01 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3kql s ILE 407 CO -0.07 -0.27 0.54 -0.69 0.00 0.00 0.00 174.94 174.45 3kql s VAL 408 N 1.54 5.03 -0.41 2.92 1.01 0.17 -1.24 120.40 129.42 3kql s VAL 408 Ca -0.01 0.77 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 3kql s VAL 408 Cb -0.18 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3kql s VAL 408 CO -0.10 -0.02 0.28 -0.69 0.00 0.00 0.00 175.10 174.57 3kql s VAL 409 N 2.39 5.09 0.25 2.92 1.01 0.23 -0.05 120.40 132.24 3kql s VAL 409 Ca 0.22 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3kql s VAL 409 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3kql s VAL 409 CO 0.11 -0.31 0.10 0.00 0.00 0.00 0.00 175.10 174.99 3kql s ALA 410 N 1.64 1.66 0.15 5.51 0.00 0.08 -0.61 121.76 130.19 3kql s ALA 410 Ca 0.04 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3kql s ALA 410 Cb -0.19 1.10 0.01 0.00 0.00 0.00 0.00 23.12 24.03 3kql s ALA 410 CO 0.09 -0.48 0.05 0.25 0.00 0.00 0.00 175.76 175.68 3kql n THR 411 N -0.44 0.00 0.49 0.00 -2.24 -1.12 -1.64 114.28 109.33 3kql n THR 411 Ca 0.00 -0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.69 3kql n THR 411 Cb 0.66 -1.08 0.11 0.00 -2.10 0.00 0.00 70.33 67.92 3kql n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kql n ASP 412 N -2.97 0.00 0.00 3.42 8.00 -1.26 -2.03 116.55 121.71 3kql n ASP 412 Ca 0.01 -0.38 0.11 0.00 0.71 0.00 0.00 54.79 55.25 3kql n ASP 412 Cb 0.04 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 41.78 3kql n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kql n ALA 413 N -0.73 2.28 -1.71 2.24 0.00 -1.26 -2.32 120.51 119.02 3kql n ALA 413 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.37 3kql n ALA 413 Cb 0.01 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.14 3kql n ALA 413 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kql n LEU 414 N -1.11 0.79 0.05 0.00 7.94 -0.86 -4.62 117.00 119.19 3kql n LEU 414 Ca 0.15 -1.71 -0.09 0.00 -1.11 0.00 0.00 56.01 53.25 3kql n LEU 414 Cb 0.12 -0.14 0.05 0.00 0.53 0.00 0.00 43.42 43.98 3kql n LEU 414 CO 0.15 0.41 0.40 -0.03 -1.11 0.00 0.00 177.39 177.21 3kql h MET 415 N 0.03 0.41 -5.43 1.96 4.05 -1.62 -3.44 114.93 110.88 3kql h MET 415 Ca -0.00 -0.30 -0.42 0.00 -0.28 0.00 0.00 59.70 58.69 3kql h MET 415 Cb 1.28 0.05 -0.15 0.00 -0.80 0.00 0.00 31.60 31.99 3kql h MET 415 CO 0.00 0.93 -0.73 0.95 0.23 0.00 0.00 176.91 178.29 3kql s THR 416 N -3.72 1.57 0.00 -0.77 -4.23 -1.26 -3.85 115.64 103.38 3kql s THR 416 Ca -0.06 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 3kql s THR 416 Cb 0.11 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3kql s THR 416 CO 0.83 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 3kql n GLY 417 N -0.28 0.00 3.79 3.99 0.00 -1.26 -4.65 105.19 106.78 3kql n GLY 417 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3kql n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kql s PHE 418 N -0.78 3.80 -0.32 1.61 5.36 -1.26 -4.74 117.98 121.65 3kql s PHE 418 Ca 0.00 1.35 0.03 0.00 -0.96 0.00 0.00 56.93 57.35 3kql s PHE 418 Cb 0.00 -2.60 0.09 0.00 -0.34 0.00 0.00 43.02 40.17 3kql s PHE 418 CO 0.00 0.50 0.04 0.99 -1.46 0.00 0.00 175.22 175.29 3kql s THR 419 N -0.85 2.06 -1.86 0.12 2.01 -1.26 -4.80 115.64 111.07 3kql s THR 419 Ca 0.32 -2.11 0.20 0.00 0.31 0.00 0.00 61.69 60.40 3kql s THR 419 Cb -0.20 -2.48 0.53 0.00 0.01 0.00 0.00 72.50 70.36 3kql s THR 419 CO 0.20 -0.53 1.45 0.61 -0.69 0.00 0.00 174.62 175.66 3kql n GLY 420 N 4.36 2.35 3.35 4.40 0.00 -1.26 -4.97 105.19 113.42 3kql n GLY 420 Ca 0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3kql n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kql n ASP 421 N 1.40 -6.38 -4.80 1.61 4.64 -1.26 -4.97 116.55 106.79 3kql n ASP 421 Ca 0.21 -0.75 -0.36 0.00 -1.38 0.00 0.00 54.79 52.51 3kql n ASP 421 Cb 0.58 -4.71 -0.07 0.00 -1.04 0.00 0.00 41.12 35.88 3kql n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kql s PHE 422 N -3.38 3.52 0.17 -0.67 0.08 -1.26 -4.79 117.98 111.64 3kql s PHE 422 Ca 0.43 0.51 0.20 0.00 0.12 0.00 0.00 56.93 58.19 3kql s PHE 422 Cb -0.08 -2.11 0.78 0.00 -0.57 0.00 0.00 43.02 41.03 3kql s PHE 422 CO 0.77 0.49 1.77 -0.44 -0.10 0.00 0.00 175.22 177.72 3kql h ASP 423 N 5.83 0.00 -5.07 1.36 3.32 -0.29 -3.38 116.42 118.20 3kql h ASP 423 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 3kql h ASP 423 Cb 1.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 3kql h ASP 423 CO 0.68 0.32 0.18 -0.94 -1.72 0.00 0.00 179.24 177.75 3kql s SER 424 N -6.37 -0.03 -0.03 6.45 1.04 -1.21 -2.19 113.70 111.36 3kql s SER 424 Ca 0.00 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 3kql s SER 424 Cb 0.11 0.76 0.03 0.00 0.10 0.00 0.00 66.02 67.02 3kql s SER 424 CO 0.67 -1.47 0.05 -0.69 0.98 0.00 0.00 173.24 172.78 3kql s VAL 425 N -3.16 -0.05 -0.23 5.02 1.01 0.17 -2.33 120.40 120.82 3kql s VAL 425 Ca 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3kql s VAL 425 Cb -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.25 3kql s VAL 425 CO 0.10 0.07 -0.09 -0.63 0.00 0.00 0.00 175.10 174.56 3kql s ILE 426 N 0.93 2.76 -0.14 2.22 1.01 0.01 0.81 121.20 128.80 3kql s ILE 426 Ca -0.08 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 3kql s ILE 426 Cb -0.11 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3kql s ILE 426 CO -0.03 0.28 0.04 -0.62 0.00 0.00 0.00 174.94 174.61 3kql s ASP 427 N 1.33 5.46 0.00 3.58 -1.08 0.22 -0.56 116.67 125.62 3kql s ASP 427 Ca 0.01 0.10 0.27 0.00 -0.52 0.00 0.00 52.55 52.42 3kql s ASP 427 Cb -0.16 -1.81 0.95 0.00 -1.46 0.00 0.00 42.92 40.44 3kql s ASP 427 CO -0.06 0.25 1.72 0.00 0.52 0.00 0.00 175.17 177.61 3kql n ASN 429 N -1.49 -5.60 -4.62 0.00 5.03 -1.26 -4.76 115.26 102.55 3kql n ASN 429 Ca 0.07 0.35 -0.34 0.00 0.87 0.00 0.00 54.58 55.52 3kql n ASN 429 Cb 0.34 -4.40 -0.10 0.00 -1.02 0.00 0.00 39.78 34.60 3kql n ASN 429 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kql s THR 430 N -2.20 4.08 0.27 3.41 2.01 -1.26 -1.00 115.64 120.94 3kql s THR 430 Ca 0.00 -0.33 0.11 0.00 0.31 0.00 0.00 61.69 61.78 3kql s THR 430 Cb 0.00 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 3kql s THR 430 CO 0.00 0.58 -0.18 0.00 -0.69 0.00 0.00 174.62 174.33 3kql s VAL 432 N -2.62 1.67 0.32 0.00 1.01 -1.26 -0.66 120.40 118.86 3kql s VAL 432 Ca 0.28 -1.27 0.10 0.00 0.00 0.00 0.00 61.98 61.10 3kql s VAL 432 Cb -0.04 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3kql s VAL 432 CO 0.13 -0.05 -0.12 0.28 0.00 0.00 0.00 175.10 175.35 3kql s THR 433 N 1.34 2.26 0.14 3.92 -1.32 -0.53 -4.98 115.64 116.47 3kql s THR 433 Ca -0.06 -2.26 0.10 0.00 -1.21 0.00 0.00 61.69 58.27 3kql s THR 433 Cb -0.19 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 3kql s THR 433 CO -0.06 -0.27 -0.23 -1.58 -2.21 0.00 0.00 174.62 170.27 3kql s GLN 434 N -3.59 1.33 -0.01 7.08 0.74 -1.26 -0.77 119.66 123.18 3kql s GLN 434 Ca 0.31 -1.35 -0.17 0.00 0.05 0.00 0.00 55.36 54.21 3kql s GLN 434 Cb 0.00 -1.65 0.03 0.00 1.10 0.00 0.00 33.01 32.50 3kql s GLN 434 CO 0.16 0.37 0.35 -0.08 -0.55 0.00 0.00 175.29 175.54 3kql s THR 435 N -1.41 0.05 0.00 -0.34 -1.32 -0.13 -4.87 115.64 107.62 3kql s THR 435 Ca 0.14 -0.44 -0.05 0.00 -1.21 0.00 0.00 61.69 60.14 3kql s THR 435 Cb -0.09 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 3kql s THR 435 CO 0.07 -0.24 0.23 0.54 -2.21 0.00 0.00 174.62 173.00 3kql s VAL 436 N -1.41 5.37 -0.21 5.08 0.11 -1.26 -0.80 120.40 127.29 3kql s VAL 436 Ca -0.13 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 3kql s VAL 436 Cb -0.04 -3.55 0.06 0.00 -1.53 0.00 0.00 36.38 31.32 3kql s VAL 436 CO 0.04 0.34 0.04 -0.62 -3.33 0.00 0.00 175.10 171.58 3kql s ASP 437 N -1.81 3.01 -1.25 3.54 2.15 0.12 -4.89 116.67 117.53 3kql s ASP 437 Ca 0.27 -0.90 -0.17 0.00 0.43 0.00 0.00 52.55 52.19 3kql s ASP 437 Cb -0.13 -0.61 -0.01 0.00 -0.30 0.00 0.00 42.92 41.87 3kql s ASP 437 CO 0.17 -0.32 2.08 0.49 -0.17 0.00 0.00 175.17 177.42 3kql n PHE 438 N 5.04 3.23 1.67 -5.34 3.72 -1.26 -0.56 117.46 123.96 3kql n PHE 438 Ca -0.08 -2.59 0.12 0.00 -0.05 0.00 0.00 57.45 54.84 3kql n PHE 438 Cb 0.47 -2.36 0.57 0.00 -0.94 0.00 0.00 39.48 37.21 3kql n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kql n SER 439 N 7.16 0.78 -4.39 4.37 3.41 -1.17 -4.93 113.62 118.84 3kql n SER 439 Ca 0.51 -1.45 -0.37 0.00 -0.26 0.00 0.00 58.87 57.30 3kql n SER 439 Cb 0.41 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 3kql n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kql n LEU 440 N -0.31 -1.08 -3.12 1.04 4.77 0.17 -4.86 117.00 113.61 3kql n LEU 440 Ca 0.17 -1.21 -0.21 0.00 -0.03 0.00 0.00 56.01 54.73 3kql n LEU 440 Cb 0.21 -1.70 -0.04 0.00 -2.33 0.00 0.00 43.42 39.56 3kql n LEU 440 CO 0.14 0.27 -0.11 -0.90 -1.33 0.00 0.00 177.39 175.45 3kql n ASP 441 N -2.66 1.99 0.12 -1.43 5.75 -1.26 -4.42 116.55 114.64 3kql n ASP 441 Ca -0.06 -3.21 0.05 0.00 -0.01 0.00 0.00 54.79 51.56 3kql n ASP 441 Cb 0.55 -0.60 0.02 0.00 -1.03 0.00 0.00 41.12 40.06 3kql n ASP 441 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3kql h PRO 442 N 3.09 0.00 0.00 0.11 0.13 -1.89 -3.48 132.00 129.96 3kql h PRO 442 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kql h PRO 442 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3kql h PRO 442 CO 0.60 0.25 0.00 0.25 -0.23 0.00 0.00 178.00 178.87 3kql n THR 443 N -3.01 0.00 -4.45 1.56 -2.24 -1.26 -4.88 114.28 100.00 3kql n THR 443 Ca -0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 3kql n THR 443 Cb 0.68 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.81 3kql n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kql s PHE 444 N 0.62 1.91 -0.03 4.78 -0.12 -1.26 0.42 117.98 124.32 3kql s PHE 444 Ca 0.00 -1.01 -0.00 0.00 -0.05 0.00 0.00 56.93 55.87 3kql s PHE 444 Cb 0.00 -1.25 0.03 0.00 -0.63 0.00 0.00 43.02 41.17 3kql s PHE 444 CO 0.00 -0.05 0.05 0.99 -0.05 0.00 0.00 175.22 176.16 3kql s THR 445 N -3.32 -0.06 -0.36 -4.49 2.01 0.28 -1.22 115.64 108.49 3kql s THR 445 Ca 0.35 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.43 3kql s THR 445 Cb 0.08 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.49 3kql s THR 445 CO 0.15 0.08 0.23 -0.63 -0.69 0.00 0.00 174.62 173.76 3kql s ILE 446 N 1.04 4.98 -0.12 1.82 -1.09 -0.02 0.12 121.20 127.93 3kql s ILE 446 Ca -0.09 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 3kql s ILE 446 Cb -0.12 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3kql s ILE 446 CO -0.03 -0.11 -0.23 -1.83 -1.23 0.00 0.00 174.94 171.51 3kql s GLU 447 N 1.65 3.03 -0.26 2.79 -1.05 0.02 -4.58 118.70 120.30 3kql s GLU 447 Ca 0.05 -0.86 -0.09 0.00 -0.15 0.00 0.00 54.97 53.91 3kql s GLU 447 Cb -0.18 -2.37 -0.04 0.00 -0.44 0.00 0.00 34.13 31.10 3kql s GLU 447 CO 0.09 0.08 0.14 -0.08 0.95 0.00 0.00 175.26 176.43 3kql s THR 448 N 0.59 4.93 0.08 1.83 -1.32 -1.26 -0.96 115.64 119.53 3kql s THR 448 Ca -0.13 0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.42 3kql s THR 448 Cb -0.17 -3.32 -0.03 0.00 -1.51 0.00 0.00 72.50 67.47 3kql s THR 448 CO 0.03 0.30 -0.10 0.42 -2.21 0.00 0.00 174.62 173.06 3kql s THR 449 N 1.60 0.84 -0.12 5.08 -4.23 0.05 -4.99 115.64 113.88 3kql s THR 449 Ca 0.07 -1.52 -0.25 0.00 -1.18 0.00 0.00 61.69 58.81 3kql s THR 449 Cb -0.15 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 3kql s THR 449 CO 0.07 -0.52 0.79 -0.89 -0.54 0.00 0.00 174.62 173.53 3kql s THR 450 N -2.23 4.94 0.04 3.99 2.01 -1.26 -1.45 115.64 121.68 3kql s THR 450 Ca 0.02 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 3kql s THR 450 Cb -0.04 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3kql s THR 450 CO -0.00 0.12 -0.03 0.54 -0.69 0.00 0.00 174.62 174.56 3kql s VAL 451 N 1.55 0.19 0.74 3.82 0.11 0.16 -4.98 120.40 122.00 3kql s VAL 451 Ca 0.39 -1.47 -0.15 0.00 -2.93 0.00 0.00 61.98 57.81 3kql s VAL 451 Cb -0.17 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 3kql s VAL 451 CO 0.16 -0.81 0.99 -0.81 -3.33 0.00 0.00 175.10 171.30 3kql n PRO 452 N 0.67 0.43 -1.32 1.54 -0.04 -1.26 0.11 135.00 135.13 3kql n PRO 452 Ca -0.18 0.21 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 3kql n PRO 452 Cb 0.59 -2.25 0.14 0.00 -0.04 0.00 0.00 33.50 31.94 3kql n PRO 452 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3kql s GLN 453 N -3.48 1.09 0.48 0.54 -2.07 -0.17 -4.48 119.66 111.57 3kql s GLN 453 Ca 0.73 0.58 0.03 0.00 -1.82 0.00 0.00 55.36 54.87 3kql s GLN 453 Cb -0.33 -1.81 0.03 0.00 -1.09 0.00 0.00 33.01 29.81 3kql s GLN 453 CO 0.51 -2.30 0.22 -0.40 -1.32 0.00 0.00 175.29 172.01 3kql n ASP 454 N -3.88 2.86 -0.10 12.60 5.75 -1.26 -3.00 116.55 129.51 3kql n ASP 454 Ca 0.06 -2.83 -0.06 0.00 -0.01 0.00 0.00 54.79 51.96 3kql n ASP 454 Cb 0.57 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3kql n ASP 454 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kql h ALA 455 N 0.90 0.24 0.19 2.12 0.00 -1.22 -1.77 119.26 119.72 3kql h ALA 455 Ca -0.34 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kql h ALA 455 Cb 1.15 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3kql h ALA 455 CO 0.55 -0.45 -0.51 0.28 0.00 0.00 0.00 179.25 179.11 3kql h VAL 456 N 0.01 0.02 -0.43 0.00 2.07 -1.86 -1.67 116.25 114.39 3kql h VAL 456 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 3kql h VAL 456 Cb 0.25 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 3kql h VAL 456 CO -0.35 0.00 0.05 -1.28 0.02 0.00 0.00 177.57 176.01 3kql h SER 457 N -0.79 -0.07 -0.25 0.57 0.87 -1.93 0.00 113.55 111.95 3kql h SER 457 Ca -0.01 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3kql h SER 457 Cb 0.78 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 3kql h SER 457 CO -0.24 -0.00 0.00 -0.09 -0.53 0.00 0.00 176.83 175.97 3kql h ARG 458 N 0.17 0.08 -0.48 2.24 2.43 -1.05 0.25 114.38 118.01 3kql h ARG 458 Ca 0.21 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3kql h ARG 458 Cb 0.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3kql h ARG 458 CO -0.31 0.05 -0.14 0.77 -1.51 0.00 0.00 179.97 178.83 3kql h SER 459 N 0.08 0.96 -0.21 -3.80 0.02 -0.93 -1.16 113.55 108.50 3kql h SER 459 Ca 0.12 -0.37 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 3kql h SER 459 Cb 0.15 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3kql h SER 459 CO -0.19 1.11 -0.04 1.56 -1.14 0.00 0.00 176.83 178.13 3kql h GLN 460 N 0.80 0.41 0.21 3.45 1.08 -0.71 0.11 115.11 120.46 3kql h GLN 460 Ca 0.12 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3kql h GLN 460 Cb 0.70 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3kql h GLN 460 CO 0.05 0.64 -0.11 0.00 -0.95 0.00 0.00 178.83 178.47 3kql h ARG 461 N 0.14 -0.28 -0.80 1.46 3.08 -0.52 -1.97 114.38 115.48 3kql h ARG 461 Ca 0.06 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.23 3kql h ARG 461 Cb 0.49 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.52 3kql h ARG 461 CO 0.02 -0.19 0.44 -0.09 -1.07 0.00 0.00 179.97 179.08 3kql h ARG 462 N -0.29 0.70 0.00 0.04 2.43 -1.21 -0.90 114.38 115.15 3kql h ARG 462 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kql h ARG 462 Cb 0.23 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3kql h ARG 462 CO 0.04 0.46 0.02 0.41 -1.51 0.00 0.00 179.97 179.40 3kql n GLY 463 N -1.32 -0.34 0.12 2.80 0.00 0.37 -2.18 105.19 104.64 3kql n GLY 463 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3kql n GLY 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kql n ARG 464 N -1.33 0.20 -4.49 1.61 5.12 -0.34 -4.70 116.66 112.72 3kql n ARG 464 Ca 0.00 0.36 -0.30 0.00 -1.93 0.00 0.00 57.85 55.98 3kql n ARG 464 Cb 0.02 -1.83 -0.07 0.00 -1.16 0.00 0.00 32.46 29.42 3kql n ARG 464 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3kql s THR 465 N -3.25 1.56 -1.28 0.55 -1.32 -0.93 -4.48 115.64 106.50 3kql s THR 465 Ca 0.06 -1.87 -0.05 0.00 -1.21 0.00 0.00 61.69 58.63 3kql s THR 465 Cb 0.10 -2.43 0.01 0.00 -1.51 0.00 0.00 72.50 68.67 3kql s THR 465 CO 0.43 0.00 1.09 0.61 -2.21 0.00 0.00 174.62 174.55 3kql n GLY 466 N -1.30 -0.45 3.15 6.08 0.00 -1.26 -4.93 105.19 106.48 3kql n GLY 466 Ca -0.11 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3kql n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kql s ARG 467 N -5.87 2.68 0.00 1.61 0.52 -1.26 -4.49 118.95 112.14 3kql s ARG 467 Ca 0.32 -2.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.17 3kql s ARG 467 Cb -0.14 -3.87 0.00 0.00 0.52 0.00 0.00 34.95 31.46 3kql s ARG 467 CO 0.72 -1.19 0.00 0.41 0.02 0.00 0.00 175.30 175.27 3kql n GLY 468 N 3.86 2.65 3.62 -3.53 0.00 -1.26 -4.99 105.19 105.53 3kql n GLY 468 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3kql n GLY 468 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kql s ARG 469 N -0.66 1.94 0.85 1.61 1.70 -1.26 -5.16 118.95 117.97 3kql s ARG 469 Ca 0.00 -1.54 -0.12 0.00 -0.47 0.00 0.00 55.73 53.60 3kql s ARG 469 Cb 0.00 0.51 0.09 0.00 -0.57 0.00 0.00 34.95 34.99 3kql s ARG 469 CO 0.00 -0.84 1.09 -1.33 -1.08 0.00 0.00 175.30 173.14 3kql n MET 470 N -0.52 -0.06 -3.58 3.89 2.81 -1.26 -4.01 117.12 114.39 3kql n MET 470 Ca -0.03 0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.83 3kql n MET 470 Cb 0.61 -2.34 -0.02 0.00 -0.71 0.00 0.00 33.22 30.76 3kql n MET 470 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3kql s GLY 471 N -2.24 -0.42 -0.06 3.03 0.00 -0.20 -4.25 107.32 103.18 3kql s GLY 471 Ca 0.70 0.25 0.05 0.00 0.00 0.00 0.00 44.72 45.71 3kql s GLY 471 CO 0.55 0.08 -0.20 -0.42 0.00 0.00 0.00 173.10 173.11 3kql s ILE 472 N -3.74 1.66 -0.28 0.90 1.01 -0.93 -1.47 121.20 118.36 3kql s ILE 472 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3kql s ILE 472 Cb -0.03 -1.43 0.04 0.00 0.01 0.00 0.00 42.46 41.06 3kql s ILE 472 CO -0.06 0.47 -0.03 -0.47 0.00 0.00 0.00 174.94 174.86 3kql s TYR 473 N 0.06 3.18 -0.14 3.97 5.04 0.61 0.43 117.35 130.51 3kql s TYR 473 Ca -0.06 -1.75 -0.05 0.00 -2.44 0.00 0.00 57.07 52.76 3kql s TYR 473 Cb -0.13 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 3kql s TYR 473 CO 0.04 -0.77 0.04 1.03 -1.34 0.00 0.00 175.55 174.54 3kql s ARG 474 N 1.28 3.55 0.15 4.97 0.52 0.24 -1.26 118.95 128.40 3kql s ARG 474 Ca -0.03 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 3kql s ARG 474 Cb -0.18 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 3kql s ARG 474 CO -0.03 0.48 -0.11 -0.59 0.02 0.00 0.00 175.30 175.08 3kql s PHE 475 N -0.24 1.30 -0.01 -0.53 -0.71 -1.20 -0.61 117.98 115.98 3kql s PHE 475 Ca 0.07 -0.73 0.11 0.00 -1.04 0.00 0.00 56.93 55.34 3kql s PHE 475 Cb -0.12 -0.66 -0.17 0.00 -1.21 0.00 0.00 43.02 40.86 3kql s PHE 475 CO 0.02 0.11 1.01 0.28 -1.34 0.00 0.00 175.22 175.30 3kql h VAL 476 N 2.81 1.12 -2.54 -2.49 2.07 -1.84 -1.74 116.25 113.65 3kql h VAL 476 Ca -0.37 -2.81 -0.09 0.00 0.82 0.00 0.00 66.70 64.25 3kql h VAL 476 Cb 1.19 2.52 -0.20 0.00 -1.52 0.00 0.00 31.29 33.29 3kql h VAL 476 CO 0.63 0.64 -0.06 0.28 0.02 0.00 0.00 177.57 179.07 3kql s THR 477 N -2.73 0.03 0.78 2.57 -1.32 -1.26 -4.87 115.64 108.83 3kql s THR 477 Ca -0.01 -0.21 -0.07 0.00 -1.21 0.00 0.00 61.69 60.19 3kql s THR 477 Cb 0.09 -0.78 0.13 0.00 -1.51 0.00 0.00 72.50 70.42 3kql s THR 477 CO 0.81 -0.12 1.09 -2.16 -2.21 0.00 0.00 174.62 172.04 3kql s PRO 478 N -1.03 1.51 0.59 7.08 0.04 -1.26 -4.98 135.00 136.96 3kql s PRO 478 Ca -0.10 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.25 3kql s PRO 478 Cb -0.03 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kql s PRO 478 CO 0.06 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.84 3kql n GLY 479 N -3.12 -3.39 3.63 0.56 0.00 -1.26 -5.06 105.19 96.54 3kql n GLY 479 Ca 0.13 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 3kql n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kql s GLU 480 N -4.29 1.71 0.50 1.61 4.04 -1.26 -5.00 118.70 116.01 3kql s GLU 480 Ca 0.00 -1.32 -0.03 0.00 0.04 0.00 0.00 54.97 53.65 3kql s GLU 480 Cb 0.00 0.50 -0.01 0.00 0.02 0.00 0.00 34.13 34.64 3kql s GLU 480 CO 0.00 -0.73 0.78 1.03 -1.84 0.00 0.00 175.26 174.50 3kql s ARG 481 N -3.67 3.18 1.21 -4.83 0.52 -1.16 -4.77 118.95 109.43 3kql s ARG 481 Ca 0.22 -0.11 -0.15 0.00 -0.52 0.00 0.00 55.73 55.17 3kql s ARG 481 Cb -0.02 -2.41 0.27 0.00 0.52 0.00 0.00 34.95 33.32 3kql s ARG 481 CO 0.11 -0.38 0.80 -2.30 0.02 0.00 0.00 175.30 173.55 3kql n PRO 482 N -2.29 -2.63 -2.79 3.54 -0.02 -1.26 -0.88 135.00 128.67 3kql n PRO 482 Ca 0.02 -0.75 -0.07 0.00 -2.02 0.00 0.00 63.50 60.68 3kql n PRO 482 Cb 0.57 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 3kql n PRO 482 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kql n SER 483 N -4.45 -0.48 0.00 2.55 7.64 -1.26 -4.42 113.62 113.20 3kql n SER 483 Ca 0.02 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.00 3kql n SER 483 Cb 0.56 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 3kql n SER 483 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kql n GLY 484 N -0.27 0.62 3.23 0.23 0.00 -1.26 -3.65 105.19 104.09 3kql n GLY 484 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3kql n GLY 484 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kql s MET 485 N -0.78 1.04 -0.10 1.61 -1.94 -1.26 -1.58 119.30 116.29 3kql s MET 485 Ca 0.00 -1.47 -0.18 0.00 -1.71 0.00 0.00 55.69 52.32 3kql s MET 485 Cb 0.00 -0.35 0.04 0.00 2.01 0.00 0.00 34.83 36.53 3kql s MET 485 CO 0.00 -0.05 0.45 -0.59 -0.01 0.00 0.00 175.02 174.82 3kql s PHE 486 N -3.56 -0.42 0.86 -0.03 -0.12 -1.01 -4.91 117.98 108.79 3kql s PHE 486 Ca 0.19 0.88 -0.11 0.00 -0.05 0.00 0.00 56.93 57.84 3kql s PHE 486 Cb 0.05 0.19 0.12 0.00 -0.63 0.00 0.00 43.02 42.75 3kql s PHE 486 CO 0.01 -0.36 1.16 0.34 -0.05 0.00 0.00 175.22 176.32 3kql s ASP 487 N -0.57 3.28 0.53 1.98 2.15 -1.26 -4.59 116.67 118.19 3kql s ASP 487 Ca -0.07 2.22 0.33 0.00 0.43 0.00 0.00 52.55 55.47 3kql s ASP 487 Cb -0.03 -2.57 1.39 0.00 -0.30 0.00 0.00 42.92 41.40 3kql s ASP 487 CO 0.04 -2.87 1.98 -1.28 -0.17 0.00 0.00 175.17 172.87 3kql h SER 488 N -1.47 0.00 0.25 -0.34 0.87 -1.92 -2.85 113.55 108.09 3kql h SER 488 Ca -0.44 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 3kql h SER 488 Cb 1.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 3kql h SER 488 CO 0.44 0.00 -0.10 0.77 -0.53 0.00 0.00 176.83 177.40 3kql h SER 489 N 0.00 0.00 -0.76 6.23 4.64 -1.90 -1.94 113.55 119.82 3kql h SER 489 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kql h SER 489 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 3kql h SER 489 CO 0.00 0.10 0.24 0.58 -0.87 0.00 0.00 176.83 176.89 3kql h VAL 490 N 0.00 1.26 -0.58 0.95 2.07 -1.86 -0.31 116.25 117.78 3kql h VAL 490 Ca -0.00 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3kql h VAL 490 Cb 0.26 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3kql h VAL 490 CO 0.01 0.36 0.19 -0.07 0.02 0.00 0.00 177.57 178.09 3kql h LEU 491 N 1.13 0.83 -0.75 2.57 3.38 -1.54 -1.22 115.31 119.71 3kql h LEU 491 Ca 0.25 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kql h LEU 491 Cb 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3kql h LEU 491 CO -0.01 0.81 0.45 0.00 0.09 0.00 0.00 178.44 179.78 3kql h GLU 493 N 0.84 0.35 -0.10 0.00 4.81 -0.36 -1.11 114.58 119.02 3kql h GLU 493 Ca 0.32 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3kql h GLU 493 Cb 0.13 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kql h GLU 493 CO -0.16 0.39 -0.03 0.00 -0.73 0.00 0.00 179.01 178.48 3kql h TYR 495 N -0.15 1.21 -0.27 0.00 0.05 -1.27 0.35 116.97 116.89 3kql h TYR 495 Ca 0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3kql h TYR 495 Cb 0.45 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3kql h TYR 495 CO 0.06 0.93 0.14 0.22 -1.05 0.00 0.00 178.16 178.45 3kql h ASP 496 N 1.14 0.35 -0.54 3.88 1.82 -1.10 -1.27 116.42 120.69 3kql h ASP 496 Ca 0.25 -0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 3kql h ASP 496 Cb 0.26 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 3kql h ASP 496 CO -0.02 0.36 0.15 0.00 -1.61 0.00 0.00 179.24 178.13 3kql h ALA 497 N 1.00 1.16 0.00 -0.78 0.00 -0.53 -1.17 119.26 118.94 3kql h ALA 497 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3kql h ALA 497 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kql h ALA 497 CO -0.01 0.57 -0.28 0.78 0.00 0.00 0.00 179.25 180.31 3kql h GLY 498 N 1.01 0.00 0.83 0.00 0.00 0.09 0.15 103.07 105.16 3kql h GLY 498 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.18 3kql h GLY 498 CO -0.00 0.00 -1.70 0.00 0.00 0.00 0.00 176.54 174.84 3kql h ALA 500 N 0.08 0.66 0.00 0.00 0.00 -1.19 -3.39 119.26 115.42 3kql h ALA 500 Ca -0.34 -1.40 -0.30 0.00 0.00 0.00 0.00 54.91 52.87 3kql h ALA 500 Cb 2.03 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 20.25 3kql h ALA 500 CO 0.15 1.49 -2.12 0.91 0.00 0.00 0.00 179.25 179.68 3kql n TRP 501 N -3.17 0.00 -0.89 0.00 7.02 0.52 -4.74 117.44 116.18 3kql n TRP 501 Ca -0.19 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.38 3kql n TRP 501 Cb 1.04 -0.76 0.27 0.00 -2.42 0.00 0.00 31.31 29.45 3kql n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kql n TYR 502 N -3.17 1.04 -4.13 -5.99 4.01 -1.08 -4.95 117.16 102.89 3kql n TYR 502 Ca -0.35 -0.81 -0.42 0.00 -0.16 0.00 0.00 57.90 56.16 3kql n TYR 502 Cb 0.86 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 3kql n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kql n GLU 503 N -0.22 -0.41 -5.00 -0.72 1.02 -1.14 -4.95 120.64 109.22 3kql n GLU 503 Ca 0.21 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 57.07 3kql n GLU 503 Cb 0.88 -2.59 -0.15 0.00 -0.02 0.00 0.00 31.44 29.56 3kql n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kql s LEU 504 N -7.37 2.48 0.58 -4.62 1.43 0.25 -5.02 118.68 106.41 3kql s LEU 504 Ca 0.35 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3kql s LEU 504 Cb -0.20 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3kql s LEU 504 CO 0.94 0.26 1.05 0.42 0.23 0.00 0.00 176.35 179.25 3kql s THR 505 N -0.22 3.89 0.34 5.49 -4.23 -1.26 -3.90 115.64 115.75 3kql s THR 505 Ca -0.00 0.91 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 3kql s THR 505 Cb -0.13 -3.43 0.32 0.00 1.34 0.00 0.00 72.50 70.60 3kql s THR 505 CO 0.03 -0.51 1.84 -0.65 -0.54 0.00 0.00 174.62 174.78 3kql h PRO 506 N 0.55 0.71 -0.56 3.99 0.11 -1.92 -0.30 132.00 134.59 3kql h PRO 506 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3kql h PRO 506 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3kql h PRO 506 CO 0.58 0.47 0.01 0.00 -0.21 0.00 0.00 178.00 178.85 3kql h ALA 507 N 1.60 0.75 -0.11 -0.75 0.00 -1.91 -2.05 119.26 116.80 3kql h ALA 507 Ca 0.50 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kql h ALA 507 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kql h ALA 507 CO -0.26 0.57 0.06 1.49 0.00 0.00 0.00 179.25 181.12 3kql h GLU 508 N 0.86 0.14 0.00 0.00 4.57 -1.45 -1.87 114.58 116.84 3kql h GLU 508 Ca 0.16 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3kql h GLU 508 Cb 0.53 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3kql h GLU 508 CO 0.03 0.14 -0.14 1.79 -1.18 0.00 0.00 179.01 179.65 3kql h THR 509 N 0.10 0.65 -0.23 0.32 1.35 -1.24 -1.48 112.91 112.38 3kql h THR 509 Ca 0.04 -0.60 -0.13 0.00 -0.55 0.00 0.00 66.41 65.16 3kql h THR 509 Cb 0.04 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3kql h THR 509 CO -0.01 0.14 -0.42 0.28 -0.25 0.00 0.00 175.52 175.27 3kql h SER 510 N 0.00 0.59 -0.46 5.36 0.02 -0.61 -1.07 113.55 117.38 3kql h SER 510 Ca -0.00 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3kql h SER 510 Cb 0.37 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3kql h SER 510 CO 0.02 0.93 0.12 0.58 -1.14 0.00 0.00 176.83 177.34 3kql h VAL 511 N 0.45 1.23 -0.55 2.27 2.07 -0.65 -0.96 116.25 120.12 3kql h VAL 511 Ca 0.04 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3kql h VAL 511 Cb 0.92 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3kql h VAL 511 CO 0.08 0.29 0.01 0.03 0.02 0.00 0.00 177.57 178.00 3kql h ARG 512 N 0.62 0.93 -0.04 1.57 3.08 -1.28 -2.79 114.38 116.47 3kql h ARG 512 Ca 0.15 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 3kql h ARG 512 Cb 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kql h ARG 512 CO -0.00 0.92 -0.66 -0.07 -1.07 0.00 0.00 179.97 179.09 3kql h LEU 513 N 0.86 0.20 -0.74 3.04 3.38 -1.02 -2.96 115.31 118.07 3kql h LEU 513 Ca 0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3kql h LEU 513 Cb 0.50 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3kql h LEU 513 CO 0.02 0.80 0.30 -0.09 0.09 0.00 0.00 178.44 179.55 3kql h ARG 514 N 0.12 1.11 -0.64 1.13 9.65 -1.03 -1.00 114.38 123.72 3kql h ARG 514 Ca -0.01 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3kql h ARG 514 Cb 1.18 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.54 3kql h ARG 514 CO 0.10 0.91 0.32 0.00 2.80 0.00 0.00 179.97 184.10 3kql h ALA 515 N 1.15 1.36 -0.25 2.80 0.00 -1.34 0.93 119.26 123.90 3kql h ALA 515 Ca 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kql h ALA 515 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kql h ALA 515 CO -0.02 0.51 -0.12 -0.92 0.00 0.00 0.00 179.25 178.70 3kql h TYR 516 N 0.90 0.61 0.00 0.00 5.03 -1.19 -2.95 116.97 119.37 3kql h TYR 516 Ca 0.23 -0.15 -0.06 0.00 2.58 0.00 0.00 58.73 61.33 3kql h TYR 516 Cb 0.07 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3kql h TYR 516 CO 0.01 0.78 -0.27 -0.07 -1.32 0.00 0.00 178.16 177.29 3kql h LEU 517 N 0.25 0.00 -0.16 2.82 -0.00 -0.76 -2.58 115.31 114.88 3kql h LEU 517 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3kql h LEU 517 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 3kql h LEU 517 CO 0.04 0.27 -0.01 0.59 -0.00 0.00 0.00 178.44 179.33 3kql n ASN 518 N -3.61 0.26 -4.41 -0.43 5.03 0.28 -4.74 115.26 107.64 3kql n ASN 518 Ca -0.01 -0.98 -0.39 0.00 0.87 0.00 0.00 54.58 54.07 3kql n ASN 518 Cb 0.40 -0.03 -0.12 0.00 -1.02 0.00 0.00 39.78 39.02 3kql n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kql s THR 519 N -2.07 4.47 0.91 3.41 2.01 -0.97 -5.06 115.64 118.34 3kql s THR 519 Ca 0.44 -0.53 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 3kql s THR 519 Cb 0.22 -3.31 0.15 0.00 0.01 0.00 0.00 72.50 69.56 3kql s THR 519 CO 0.38 0.03 1.14 -2.84 -0.69 0.00 0.00 174.62 172.64 3kql s PRO 520 N 1.58 1.03 0.00 4.92 0.02 -1.26 -3.66 135.00 137.63 3kql s PRO 520 Ca 0.04 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3kql s PRO 520 Cb -0.17 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3kql s PRO 520 CO 0.06 -2.60 0.00 0.41 -0.33 0.00 0.00 177.00 174.53 3kql n GLY 521 N 0.11 0.98 3.78 0.52 0.00 -1.26 -5.03 105.19 104.29 3kql n GLY 521 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3kql n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kql s LEU 522 N 0.00 3.49 0.39 0.99 1.43 -1.24 -4.59 118.68 119.15 3kql s LEU 522 Ca 0.00 -0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 3kql s LEU 522 Cb 0.00 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.08 3kql s LEU 522 CO 0.00 -0.20 1.14 -2.65 0.23 0.00 0.00 176.35 174.87 3kql n PRO 523 N -1.18 1.65 -4.04 1.29 -0.02 -1.26 -4.97 135.00 126.48 3kql n PRO 523 Ca -0.04 0.59 -0.23 0.00 -2.02 0.00 0.00 63.50 61.79 3kql n PRO 523 Cb 0.60 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 3kql n PRO 523 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kql s VAL 524 N -1.19 2.90 0.28 -1.45 -7.23 -0.61 -4.97 120.40 108.11 3kql s VAL 524 Ca 0.61 -1.65 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 3kql s VAL 524 Cb -0.56 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.42 3kql s VAL 524 CO 0.58 -0.13 0.77 0.00 -0.31 0.00 0.00 175.10 176.01 3kql s GLN 526 N -3.53 4.26 -0.66 0.00 1.11 -1.26 -4.89 119.66 114.68 3kql s GLN 526 Ca 0.12 2.23 -0.26 0.00 0.01 0.00 0.00 55.36 57.46 3kql s GLN 526 Cb -0.05 -3.21 -0.03 0.00 -1.01 0.00 0.00 33.01 28.71 3kql s GLN 526 CO 0.07 -0.54 1.89 0.34 0.01 0.00 0.00 175.29 177.06 3kql s ASP 527 N 1.17 5.23 -0.12 5.90 3.68 -1.26 -4.72 116.67 126.55 3kql s ASP 527 Ca 0.68 0.16 0.14 0.00 2.13 0.00 0.00 52.55 55.67 3kql s ASP 527 Cb -0.41 -2.53 0.28 0.00 -1.45 0.00 0.00 42.92 38.81 3kql s ASP 527 CO 0.31 -2.46 1.14 1.41 0.13 0.00 0.00 175.17 175.70 3kql n HIS 528 N 13.05 0.00 -0.14 -5.34 8.25 -1.26 -4.84 115.22 124.93 3kql n HIS 528 Ca 0.24 -0.91 -0.06 0.00 -0.26 0.00 0.00 57.72 56.73 3kql n HIS 528 Cb 0.51 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.49 3kql n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kql h LEU 529 N 0.31 0.35 -0.95 2.41 3.38 -2.00 -1.06 115.31 117.74 3kql h LEU 529 Ca -0.02 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kql h LEU 529 Cb 1.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3kql h LEU 529 CO 0.01 0.25 -0.13 -0.08 0.09 0.00 0.00 178.44 178.57 3kql h GLU 530 N 0.46 0.62 0.11 1.13 4.57 -1.99 -0.25 114.58 119.23 3kql h GLU 530 Ca 0.19 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3kql h GLU 530 Cb 0.08 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3kql h GLU 530 CO -0.12 0.73 -0.05 0.35 -1.18 0.00 0.00 179.01 178.74 3kql h PHE 531 N 0.56 -0.14 -0.30 0.92 3.57 -1.80 -1.87 116.94 117.89 3kql h PHE 531 Ca 0.10 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3kql h PHE 531 Cb 0.55 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3kql h PHE 531 CO 0.02 0.19 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.64 3kql h TRP 532 N -0.47 0.59 -0.38 0.41 4.06 -1.14 -2.35 115.95 116.67 3kql h TRP 532 Ca -0.01 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.81 3kql h TRP 532 Cb 0.39 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3kql h TRP 532 CO 0.03 0.68 0.13 1.49 -3.56 0.00 0.00 178.44 177.21 3kql h GLU 533 N 0.49 0.57 -0.70 0.49 4.81 -1.04 -2.45 114.58 116.75 3kql h GLU 533 Ca 0.08 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3kql h GLU 533 Cb 0.57 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3kql h GLU 533 CO 0.04 0.57 0.17 0.66 -0.73 0.00 0.00 179.01 179.72 3kql h SER 534 N 0.46 1.05 -0.54 1.04 4.64 -1.13 -1.11 113.55 117.97 3kql h SER 534 Ca 0.12 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kql h SER 534 Cb 0.22 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3kql h SER 534 CO -0.01 1.00 0.34 0.58 -0.87 0.00 0.00 176.83 177.88 3kql h VAL 535 N 1.06 1.15 0.00 0.95 2.07 -1.29 -2.66 116.25 117.53 3kql h VAL 535 Ca 0.22 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kql h VAL 535 Cb 0.36 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3kql h VAL 535 CO 0.00 0.15 0.00 -0.26 0.02 0.00 0.00 177.57 177.48 3kql h PHE 536 N 0.72 0.00 0.00 1.57 -1.00 -1.28 -3.04 116.94 113.91 3kql h PHE 536 Ca 0.19 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.92 3kql h PHE 536 Cb -0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3kql h PHE 536 CO -0.03 0.00 -0.26 1.15 -1.61 0.00 0.00 178.31 177.56 3kql h THR 537 N 0.00 0.69 0.00 -1.55 2.02 -0.84 -2.92 112.91 110.30 3kql h THR 537 Ca 0.00 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3kql h THR 537 Cb 0.90 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3kql h THR 537 CO 0.00 0.25 -0.54 0.61 0.37 0.00 0.00 175.52 176.21 3kql n GLY 538 N -0.00 -1.35 3.11 2.16 0.00 -1.15 -4.53 105.19 103.43 3kql n GLY 538 Ca -0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 3kql n GLY 538 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kql n LEU 539 N -1.83 6.06 -4.97 0.99 4.77 -1.10 -4.97 117.00 115.94 3kql n LEU 539 Ca 0.04 -4.47 -0.21 0.00 -0.03 0.00 0.00 56.01 51.35 3kql n LEU 539 Cb 0.39 -1.57 -0.01 0.00 -2.33 0.00 0.00 43.42 39.90 3kql n LEU 539 CO 0.35 1.03 0.04 0.42 -1.33 0.00 0.00 177.39 177.90 3kql s THR 540 N 1.41 4.78 -1.21 -5.08 -4.23 -1.26 -4.63 115.64 105.41 3kql s THR 540 Ca 0.43 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 3kql s THR 540 Cb 0.06 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 3kql s THR 540 CO 0.00 -0.30 0.84 1.41 -0.54 0.00 0.00 174.62 176.03 3kql n HIS 541 N -1.57 -2.10 -1.96 3.99 8.25 -1.26 -4.98 115.22 115.59 3kql n HIS 541 Ca -0.05 0.83 -0.33 0.00 -0.26 0.00 0.00 57.72 57.92 3kql n HIS 541 Cb 0.57 -4.46 0.02 0.00 1.12 0.00 0.00 29.99 27.25 3kql n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kql s ILE 542 N -3.50 3.60 -0.30 1.59 2.07 -1.26 -4.97 121.20 118.43 3kql s ILE 542 Ca 0.14 0.76 -0.29 0.00 -1.41 0.00 0.00 60.65 59.85 3kql s ILE 542 Cb -0.03 -3.29 0.01 0.00 0.13 0.00 0.00 42.46 39.29 3kql s ILE 542 CO 0.78 -0.44 1.12 -0.62 -1.91 0.00 0.00 174.94 173.87 3kql s ASP 543 N -2.68 6.90 0.20 4.50 2.15 -1.26 -4.94 116.67 121.54 3kql s ASP 543 Ca 0.65 1.13 -0.11 0.00 0.43 0.00 0.00 52.55 54.65 3kql s ASP 543 Cb -0.18 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.12 3kql s ASP 543 CO 0.38 -0.90 1.76 0.00 -0.17 0.00 0.00 175.17 176.24 3kql h ALA 544 N 8.27 0.71 -0.71 3.66 0.00 -1.98 -1.70 119.26 127.51 3kql h ALA 544 Ca -0.22 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kql h ALA 544 Cb 1.07 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3kql h ALA 544 CO 1.03 -0.16 0.46 1.25 0.00 0.00 0.00 179.25 181.83 3kql h HIS 545 N 0.43 0.88 -0.52 0.00 6.17 -2.00 -0.97 115.15 119.14 3kql h HIS 545 Ca 0.27 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.28 3kql h HIS 545 Cb 0.28 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.89 3kql h HIS 545 CO -0.15 0.54 -0.02 0.74 0.71 0.00 0.00 177.93 179.76 3kql h PHE 546 N 0.94 0.97 -0.08 5.26 0.05 -1.82 -2.65 116.94 119.61 3kql h PHE 546 Ca 0.27 -0.16 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 3kql h PHE 546 Cb -0.08 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 37.61 3kql h PHE 546 CO -0.03 0.89 0.02 1.25 -0.18 0.00 0.00 178.31 180.26 3kql h LEU 547 N 0.82 0.12 -1.78 1.54 6.46 -0.70 0.05 115.31 121.83 3kql h LEU 547 Ca 0.15 -0.21 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3kql h LEU 547 Cb 0.52 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3kql h LEU 547 CO 0.03 0.30 0.17 0.77 -0.62 0.00 0.00 178.44 179.08 3kql h SER 548 N -0.07 0.26 0.06 1.25 4.64 -1.17 0.04 113.55 118.56 3kql h SER 548 Ca 0.03 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.08 3kql h SER 548 Cb 0.22 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3kql h SER 548 CO -0.00 0.18 -1.01 1.56 -0.87 0.00 0.00 176.83 176.69 3kql h GLN 549 N 0.30 0.66 -0.31 4.77 4.20 -1.09 -2.13 115.11 121.50 3kql h GLN 549 Ca 0.09 -0.70 -0.12 0.00 0.06 0.00 0.00 58.65 57.99 3kql h GLN 549 Cb 0.01 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3kql h GLN 549 CO -0.02 1.29 -0.30 1.79 -0.67 0.00 0.00 178.83 180.92 3kql h THR 550 N 0.37 1.28 -0.39 -0.54 1.35 -0.24 -0.64 112.91 114.11 3kql h THR 550 Ca -0.12 -1.41 -0.06 0.00 -0.55 0.00 0.00 66.41 64.28 3kql h THR 550 Cb 1.66 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 3kql h THR 550 CO 0.20 0.46 0.02 0.11 -0.25 0.00 0.00 175.52 176.06 3kql h LYS 551 N 0.56 0.66 -0.86 4.72 1.57 -1.05 -2.65 116.57 119.51 3kql h LYS 551 Ca 0.07 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3kql h LYS 551 Cb 0.79 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 3kql h LYS 551 CO 0.06 0.75 0.42 0.37 -0.57 0.00 0.00 179.45 180.48 3kql h GLN 552 N 0.49 1.24 0.00 3.15 4.15 -1.19 -0.87 115.11 122.08 3kql h GLN 552 Ca 0.11 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3kql h GLN 552 Cb 0.43 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3kql h GLN 552 CO 0.02 0.95 0.00 0.00 -1.93 0.00 0.00 178.83 177.86 3kql h ALA 553 N 1.23 1.00 -1.01 3.38 0.00 -0.89 -3.46 119.26 119.51 3kql h ALA 553 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3kql h ALA 553 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kql h ALA 553 CO -0.04 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.45 3kql n GLY 554 N -0.62 0.12 3.72 0.00 0.00 -0.33 -5.02 105.19 103.06 3kql n GLY 554 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 3kql n GLY 554 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kql s ASP 555 N -2.72 3.74 0.10 1.61 1.01 -1.10 -4.96 116.67 114.34 3kql s ASP 555 Ca 0.01 2.01 -0.13 0.00 0.71 0.00 0.00 52.55 55.15 3kql s ASP 555 Cb -0.00 -2.54 -0.17 0.00 1.01 0.00 0.00 42.92 41.21 3kql s ASP 555 CO 0.01 -2.55 1.28 0.78 0.21 0.00 0.00 175.17 174.90 3kql h ASN 556 N -1.47 0.94 -2.15 0.27 -0.26 -1.95 -3.35 115.58 107.60 3kql h ASN 556 Ca -0.43 -0.65 -0.59 0.00 -0.56 0.00 0.00 56.30 54.07 3kql h ASN 556 Cb 1.25 -0.28 -0.41 0.00 -1.06 0.00 0.00 38.32 37.82 3kql h ASN 556 CO 0.47 1.45 -0.73 0.49 -1.06 0.00 0.00 177.43 178.04 3kql n PHE 557 N -3.92 2.58 -0.26 1.19 3.01 -1.26 -4.93 117.46 113.87 3kql n PHE 557 Ca -0.08 -4.00 0.05 0.00 1.01 0.00 0.00 57.45 54.43 3kql n PHE 557 Cb 0.78 -0.50 0.19 0.00 -0.01 0.00 0.00 39.48 39.93 3kql n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kql h PRO 558 N 4.14 0.50 0.09 -1.08 0.13 -1.88 -0.31 132.00 133.59 3kql h PRO 558 Ca 0.17 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kql h PRO 558 Cb 0.72 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3kql h PRO 558 CO 0.74 0.33 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.87 3kql h TYR 559 N 0.51 -0.11 -0.62 1.56 3.20 -1.92 0.11 116.97 119.70 3kql h TYR 559 Ca 0.41 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 3kql h TYR 559 Cb 0.59 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3kql h TYR 559 CO -0.14 0.06 0.24 -0.07 -1.64 0.00 0.00 178.16 176.61 3kql h LEU 560 N -0.26 0.83 -0.11 2.82 3.38 -1.83 0.15 115.31 120.29 3kql h LEU 560 Ca -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kql h LEU 560 Cb 0.22 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kql h LEU 560 CO 0.02 0.75 -0.00 0.58 0.09 0.00 0.00 178.44 179.88 3kql h VAL 561 N 0.89 1.25 -0.22 1.22 2.07 -0.94 -1.81 116.25 118.72 3kql h VAL 561 Ca 0.21 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 3kql h VAL 561 Cb 0.18 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3kql h VAL 561 CO -0.02 0.23 -0.25 0.00 0.02 0.00 0.00 177.57 177.56 3kql h ALA 562 N 0.74 1.17 -0.16 1.67 0.00 -0.48 -2.23 119.26 119.96 3kql h ALA 562 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3kql h ALA 562 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kql h ALA 562 CO 0.01 0.53 -0.06 -0.92 0.00 0.00 0.00 179.25 178.81 3kql h TYR 563 N 0.37 0.38 -0.78 0.00 3.20 -0.65 -0.56 116.97 118.92 3kql h TYR 563 Ca 0.06 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3kql h TYR 563 Cb 0.64 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 3kql h TYR 563 CO 0.02 0.63 0.43 0.37 -1.64 0.00 0.00 178.16 177.97 3kql h GLN 564 N 0.02 0.71 -0.19 1.82 5.75 -1.20 0.44 115.11 122.47 3kql h GLN 564 Ca 0.04 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3kql h GLN 564 Cb 0.52 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3kql h GLN 564 CO 0.02 0.47 -0.10 0.00 -2.65 0.00 0.00 178.83 176.57 3kql h ALA 565 N 1.44 1.48 -0.01 3.38 0.00 -1.14 -2.07 119.26 122.34 3kql h ALA 565 Ca 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kql h ALA 565 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kql h ALA 565 CO -0.25 0.37 -0.00 1.15 0.00 0.00 0.00 179.25 180.52 3kql h THR 566 N 0.29 1.28 -0.01 0.00 2.02 0.70 -0.69 112.91 116.49 3kql h THR 566 Ca 0.06 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 3kql h THR 566 Cb 0.36 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3kql h THR 566 CO 0.02 0.22 -0.17 -0.37 0.37 0.00 0.00 175.52 175.58 3kql h VAL 567 N -0.32 1.13 -0.09 3.16 -1.51 -1.05 -0.19 116.25 117.38 3kql h VAL 567 Ca 0.00 -0.61 -0.02 0.00 -1.23 0.00 0.00 66.70 64.84 3kql h VAL 567 Cb 0.35 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3kql h VAL 567 CO 0.00 0.18 -0.03 0.00 -1.23 0.00 0.00 177.57 176.49 3kql h ALA 569 N 0.66 0.52 0.00 0.00 0.00 -0.66 0.25 119.26 120.03 3kql h ALA 569 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kql h ALA 569 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kql h ALA 569 CO 0.01 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3kql n ARG 570 N -4.63 0.19 0.00 0.00 3.00 -0.12 -1.15 116.66 113.95 3kql n ARG 570 Ca -0.00 0.16 0.03 0.00 -0.01 0.00 0.00 57.85 58.03 3kql n ARG 570 Cb 0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.11 3kql n ARG 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kql n ALA 571 N -1.30 2.73 -3.69 7.54 0.00 -0.73 -4.99 120.51 120.07 3kql n ALA 571 Ca 0.07 -0.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 3kql n ALA 571 Cb 0.12 -0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.38 3kql n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kql n GLN 572 N -0.59 -6.34 -4.37 0.00 6.02 0.69 -4.94 117.38 107.85 3kql n GLN 572 Ca 0.02 0.72 -0.24 0.00 -0.01 0.00 0.00 57.00 57.49 3kql n GLN 572 Cb 0.13 -5.61 -0.12 0.00 1.02 0.00 0.00 30.24 25.67 3kql n GLN 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kql s ALA 573 N -3.40 2.21 0.68 -1.58 0.00 -0.10 -1.48 121.76 118.09 3kql s ALA 573 Ca 0.38 -1.53 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 3kql s ALA 573 Cb -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3kql s ALA 573 CO 0.78 0.33 1.07 -1.25 0.00 0.00 0.00 175.76 176.69 3kql s PRO 574 N -2.64 2.89 1.06 0.00 0.04 -1.26 -4.41 135.00 130.68 3kql s PRO 574 Ca 0.17 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.17 3kql s PRO 574 Cb -0.07 -1.98 0.22 0.00 0.04 0.00 0.00 34.50 32.71 3kql s PRO 574 CO 0.08 -1.15 1.14 -1.25 0.04 0.00 0.00 177.00 175.86 3kql s PRO 575 N -4.65 -0.05 0.46 0.56 0.04 -1.26 -4.41 135.00 125.69 3kql s PRO 575 Ca 0.61 0.11 0.21 0.00 0.04 0.00 0.00 61.00 61.97 3kql s PRO 575 Cb -0.16 -1.72 1.21 0.00 0.04 0.00 0.00 34.50 33.88 3kql s PRO 575 CO 0.49 -2.97 1.90 -1.35 0.04 0.00 0.00 177.00 175.11 3kql h PRO 576 N -2.05 0.25 0.00 0.56 0.11 -1.95 -3.43 132.00 125.49 3kql h PRO 576 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kql h PRO 576 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kql h PRO 576 CO 0.47 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 3kql n SER 577 N -4.43 0.00 -1.62 -2.05 3.41 -1.26 -0.18 113.62 107.48 3kql n SER 577 Ca 0.16 -0.83 -0.12 0.00 -0.26 0.00 0.00 58.87 57.83 3kql n SER 577 Cb 0.70 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.73 3kql n SER 577 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kql n TRP 578 N 0.00 1.68 -1.48 7.33 7.02 -1.26 -4.82 117.44 125.91 3kql n TRP 578 Ca 0.00 -1.92 -0.30 0.00 -1.02 0.00 0.00 57.50 54.25 3kql n TRP 578 Cb 0.00 -0.30 0.22 0.00 -2.42 0.00 0.00 31.31 28.82 3kql n TRP 578 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3kql s ASP 579 N -3.44 1.75 0.35 -0.99 -0.00 -1.26 -4.88 116.67 108.20 3kql s ASP 579 Ca 0.45 0.38 0.04 0.00 -0.00 0.00 0.00 52.55 53.41 3kql s ASP 579 Cb 0.39 -0.46 0.68 0.00 -0.00 0.00 0.00 42.92 43.53 3kql s ASP 579 CO -0.01 -3.59 1.98 1.56 -0.00 0.00 0.00 175.17 175.11 3kql h GLN 580 N -2.22 0.80 -1.22 8.23 4.20 -2.01 -1.76 115.11 121.12 3kql h GLN 580 Ca -0.44 -0.05 0.35 0.00 0.06 0.00 0.00 58.65 58.58 3kql h GLN 580 Cb 1.26 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 3kql h GLN 580 CO 0.32 0.53 0.88 1.98 -0.67 0.00 0.00 178.83 181.87 3kql h MET 581 N 0.82 0.02 -0.19 1.46 4.05 -1.98 0.27 114.93 119.39 3kql h MET 581 Ca 0.29 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 3kql h MET 581 Cb 0.11 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3kql h MET 581 CO -0.08 0.01 0.00 0.91 0.23 0.00 0.00 176.91 177.98 3kql n TRP 582 N -4.19 0.65 0.30 1.39 7.02 -0.66 -4.69 117.44 117.26 3kql n TRP 582 Ca 0.27 -0.88 0.16 0.00 -1.02 0.00 0.00 57.50 56.03 3kql n TRP 582 Cb 1.27 -0.25 0.88 0.00 -2.42 0.00 0.00 31.31 30.79 3kql n TRP 582 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3kql h LYS 583 N 1.31 0.00 0.00 -0.99 2.10 -0.93 -0.17 116.57 117.89 3kql h LYS 583 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kql h LYS 583 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kql h LYS 583 CO 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.60 3kql n LEU 585 N -1.77 0.50 -0.27 0.00 4.77 -0.08 -4.63 117.00 115.52 3kql n LEU 585 Ca 0.02 -0.57 0.30 0.00 -0.03 0.00 0.00 56.01 55.73 3kql n LEU 585 Cb 0.16 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.94 3kql n LEU 585 CO 0.14 0.11 1.28 -0.29 -1.33 0.00 0.00 177.39 177.30 3kql h ILE 586 N 0.22 0.49 -0.36 -0.08 6.09 -1.38 0.31 117.51 122.80 3kql h ILE 586 Ca 0.00 -0.03 -0.09 0.00 -1.37 0.00 0.00 64.86 63.37 3kql h ILE 586 Cb 0.18 0.39 -0.05 0.00 0.47 0.00 0.00 36.82 37.81 3kql h ILE 586 CO 0.00 0.02 0.11 0.54 -3.07 0.00 0.00 178.15 175.75 3kql n ARG 587 N -4.31 2.50 0.00 2.19 5.12 -1.26 -3.85 116.66 117.06 3kql n ARG 587 Ca 0.23 -1.55 0.00 0.00 -1.93 0.00 0.00 57.85 54.60 3kql n ARG 587 Cb 1.06 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 3kql n ARG 587 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kql n LEU 588 N 0.10 0.57 -0.29 0.55 4.32 0.11 -4.87 117.00 117.49 3kql n LEU 588 Ca 0.19 -0.57 0.10 0.00 -0.02 0.00 0.00 56.01 55.71 3kql n LEU 588 Cb 0.85 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.88 3kql n LEU 588 CO 0.21 0.14 0.86 0.11 -1.22 0.00 0.00 177.39 177.49 3kql h LYS 589 N 0.00 0.12 -0.00 3.23 1.57 -1.67 -0.58 116.57 119.24 3kql h LYS 589 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kql h LYS 589 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3kql h LYS 589 CO 0.00 0.08 0.00 -0.35 -0.57 0.00 0.00 179.45 178.61 3kql n PRO 590 N -5.33 0.01 0.00 3.15 -0.04 -1.26 -1.76 135.00 129.77 3kql n PRO 590 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3kql n PRO 590 Cb 0.60 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 3kql n PRO 590 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kql n THR 591 N -0.35 0.00 -3.33 0.52 -2.24 -0.25 -5.05 114.28 103.58 3kql n THR 591 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3kql n THR 591 Cb 0.00 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 3kql n THR 591 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kql s LEU 592 N 0.00 4.19 0.22 3.22 1.43 -0.72 -4.71 118.68 122.30 3kql s LEU 592 Ca 0.00 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3kql s LEU 592 Cb 0.00 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 3kql s LEU 592 CO 0.00 -0.31 0.21 -1.00 0.23 0.00 0.00 176.35 175.48 3kql s HIS 593 N 2.19 1.03 0.00 0.29 3.76 -0.55 -4.47 115.29 117.53 3kql s HIS 593 Ca 0.16 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 3kql s HIS 593 Cb -0.16 -0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.12 3kql s HIS 593 CO 0.11 -0.73 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 3kql n GLY 594 N -0.31 -1.98 3.82 -2.22 0.00 -1.26 -4.01 105.19 99.23 3kql n GLY 594 Ca 0.02 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 3kql n GLY 594 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kql s PRO 595 N 0.00 2.98 -0.15 1.61 0.02 -1.26 -4.48 135.00 133.72 3kql s PRO 595 Ca 0.00 1.00 -0.13 0.00 0.02 0.00 0.00 61.00 61.89 3kql s PRO 595 Cb 0.00 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3kql s PRO 595 CO 0.00 -1.06 0.27 0.99 -0.33 0.00 0.00 177.00 176.86 3kql s THR 596 N -2.95 5.32 -1.15 0.99 2.01 -0.37 -4.58 115.64 114.91 3kql s THR 596 Ca 0.59 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.87 3kql s THR 596 Cb -0.14 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.79 3kql s THR 596 CO 0.52 0.43 1.72 -2.84 -0.69 0.00 0.00 174.62 173.76 3kql s PRO 597 N 0.22 3.42 -0.11 4.92 0.02 -1.26 -1.18 135.00 141.02 3kql s PRO 597 Ca 0.16 -1.38 -0.29 0.00 0.02 0.00 0.00 61.00 59.50 3kql s PRO 597 Cb -0.13 -5.37 -0.04 0.00 0.02 0.00 0.00 34.50 28.98 3kql s PRO 597 CO 0.04 -2.71 1.56 -1.17 -0.33 0.00 0.00 177.00 174.38 3kql s LEU 598 N 6.45 4.21 -0.07 -5.54 2.96 -0.97 -4.89 118.68 120.84 3kql s LEU 598 Ca 0.56 2.00 0.17 0.00 -0.22 0.00 0.00 54.13 56.64 3kql s LEU 598 Cb 0.01 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.94 3kql s LEU 598 CO 0.03 -0.95 0.48 0.18 -1.32 0.00 0.00 176.35 174.77 3kql n LEU 599 N 7.25 0.45 -3.85 -0.68 4.77 -1.26 -4.77 117.00 118.92 3kql n LEU 599 Ca 0.17 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.37 3kql n LEU 599 Cb 0.44 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.77 3kql n LEU 599 CO 0.61 0.30 1.08 -0.72 -1.33 0.00 0.00 177.39 177.34 3kql s TYR 600 N -2.77 0.00 -0.38 -1.77 -0.85 -1.26 -4.57 117.35 105.75 3kql s TYR 600 Ca -0.06 -0.13 -0.04 0.00 -0.52 0.00 0.00 57.07 56.32 3kql s TYR 600 Cb 0.08 0.56 0.09 0.00 0.38 0.00 0.00 41.96 43.07 3kql s TYR 600 CO 0.83 -0.29 0.16 1.03 -1.52 0.00 0.00 175.55 175.76 3kql s ARG 601 N -2.16 2.23 0.00 -3.49 0.52 -0.36 -4.90 118.95 110.79 3kql s ARG 601 Ca 0.23 -1.60 0.23 0.00 -0.52 0.00 0.00 55.73 54.07 3kql s ARG 601 Cb 0.01 -3.51 0.05 0.00 0.52 0.00 0.00 34.95 32.02 3kql s ARG 601 CO -0.02 -0.93 1.10 1.28 0.02 0.00 0.00 175.30 176.76 3kql n LEU 602 N 4.66 0.99 0.00 2.53 4.77 -1.26 -0.84 117.00 127.84 3kql n LEU 602 Ca -0.07 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3kql n LEU 602 Cb 0.42 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kql n LEU 602 CO 0.32 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3kql n GLY 603 N 1.48 1.98 3.76 -0.72 0.00 -1.26 -4.85 105.19 105.57 3kql n GLY 603 Ca 0.05 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 3kql n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kql s ALA 604 N -1.00 3.31 -0.31 4.61 0.00 -1.26 -5.04 121.76 122.07 3kql s ALA 604 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 3kql s ALA 604 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3kql s ALA 604 CO 0.00 0.16 0.09 0.08 0.00 0.00 0.00 175.76 176.09 3kql s VAL 605 N -1.28 3.91 -0.27 0.00 1.01 -1.26 -4.38 120.40 118.13 3kql s VAL 605 Ca 0.44 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 3kql s VAL 605 Cb -0.25 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.92 3kql s VAL 605 CO 0.31 -0.02 -0.32 0.00 0.00 0.00 0.00 175.10 175.07 3kql n GLN 606 N 4.85 0.58 -0.93 2.72 1.13 0.74 -5.00 117.38 121.48 3kql n GLN 606 Ca -0.14 0.28 -0.30 0.00 -1.94 0.00 0.00 57.00 54.90 3kql n GLN 606 Cb 0.47 -1.50 0.25 0.00 0.11 0.00 0.00 30.24 29.56 3kql n GLN 606 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3kql s ASN 607 N -7.32 0.47 0.65 1.08 3.04 -0.96 -5.00 114.94 106.90 3kql s ASN 607 Ca -0.37 0.68 -0.15 0.00 0.04 0.00 0.00 52.86 53.05 3kql s ASN 607 Cb 0.13 -0.94 -0.00 0.00 -1.54 0.00 0.00 41.25 38.89 3kql s ASN 607 CO 0.49 -4.41 1.11 -1.61 -3.04 0.00 0.00 177.10 169.64 3kql s GLU 608 N -5.33 2.85 0.02 0.43 2.02 -1.26 -4.93 118.70 112.49 3kql s GLU 608 Ca 0.71 1.40 0.05 0.00 0.02 0.00 0.00 54.97 57.14 3kql s GLU 608 Cb -0.10 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 3kql s GLU 608 CO 0.56 -1.21 -0.14 0.08 0.02 0.00 0.00 175.26 174.57 3kql s VAL 609 N -2.31 1.13 -0.02 2.63 1.01 -1.26 -1.24 120.40 120.34 3kql s VAL 609 Ca 0.67 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3kql s VAL 609 Cb -0.21 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3kql s VAL 609 CO 0.41 0.13 -0.15 0.28 0.00 0.00 0.00 175.10 175.77 3kql s THR 610 N -0.64 1.17 -0.13 3.92 -1.32 -0.33 -4.80 115.64 113.51 3kql s THR 610 Ca 0.03 -0.62 0.15 0.00 -1.21 0.00 0.00 61.69 60.05 3kql s THR 610 Cb -0.07 -0.98 0.26 0.00 -1.51 0.00 0.00 72.50 70.20 3kql s THR 610 CO 0.01 0.33 1.15 0.35 -2.21 0.00 0.00 174.62 174.25 3kql n THR 611 N 2.82 1.74 1.33 5.08 -2.24 -1.26 -2.29 114.28 119.46 3kql n THR 611 Ca -0.15 -1.97 0.13 0.00 -2.27 0.00 0.00 64.05 59.79 3kql n THR 611 Cb 0.55 -0.09 0.45 0.00 -2.10 0.00 0.00 70.33 69.14 3kql n THR 611 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kql n THR 612 N -1.14 0.00 -2.00 4.28 -2.24 -1.26 -4.55 114.28 107.38 3kql n THR 612 Ca 0.13 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3kql n THR 612 Cb 0.58 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 3kql n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kql s HIS 613 N -2.36 2.87 0.25 4.78 5.04 -1.26 -4.86 115.29 119.74 3kql s HIS 613 Ca 0.29 1.32 -0.03 0.00 -1.54 0.00 0.00 55.06 55.10 3kql s HIS 613 Cb 0.20 -3.81 0.51 0.00 0.04 0.00 0.00 32.58 29.51 3kql s HIS 613 CO 0.47 -2.29 1.70 -1.35 -2.34 0.00 0.00 174.74 170.93 3kql h PRO 614 N 3.22 0.35 -0.16 2.88 0.11 -1.99 -1.48 132.00 134.92 3kql h PRO 614 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kql h PRO 614 Cb 1.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kql h PRO 614 CO 0.65 0.23 0.10 0.82 -0.21 0.00 0.00 178.00 179.59 3kql h ILE 615 N 0.36 1.03 -0.76 4.15 1.08 -1.97 0.10 117.51 121.50 3kql h ILE 615 Ca 0.44 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.92 3kql h ILE 615 Cb 0.74 0.81 -0.07 0.00 -3.07 0.00 0.00 36.82 35.23 3kql h ILE 615 CO -0.47 0.04 0.42 0.74 -0.69 0.00 0.00 178.15 178.19 3kql h THR 616 N 0.21 0.92 -0.36 -0.27 2.02 -1.61 -0.93 112.91 112.89 3kql h THR 616 Ca 0.06 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3kql h THR 616 Cb -0.02 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 3kql h THR 616 CO -0.02 0.13 0.13 0.11 0.37 0.00 0.00 175.52 176.25 3kql h LYS 617 N 0.73 0.54 -0.07 6.66 1.57 -0.78 -1.61 116.57 123.61 3kql h LYS 617 Ca 0.36 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 3kql h LYS 617 Cb 0.31 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3kql h LYS 617 CO -0.23 0.54 -0.21 -0.92 -0.57 0.00 0.00 179.45 178.05 3kql h TYR 618 N 0.43 -0.55 -0.73 -1.35 3.20 0.03 -0.64 116.97 117.35 3kql h TYR 618 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3kql h TYR 618 Cb 0.20 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3kql h TYR 618 CO 0.00 -0.29 0.48 0.82 -1.64 0.00 0.00 178.16 177.53 3kql h ILE 619 N -0.30 1.12 -0.71 1.81 2.04 -1.05 -1.24 117.51 119.18 3kql h ILE 619 Ca 0.08 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3kql h ILE 619 Cb 0.41 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3kql h ILE 619 CO -0.24 0.16 0.21 0.24 0.00 0.00 0.00 178.15 178.52 3kql h MET 620 N 0.90 1.11 -0.56 2.37 2.86 -0.37 -2.26 114.93 118.99 3kql h MET 620 Ca 0.29 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3kql h MET 620 Cb 0.04 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3kql h MET 620 CO -0.08 0.96 0.14 0.00 1.06 0.00 0.00 176.91 178.99 3kql h ALA 621 N 1.10 1.20 0.00 6.32 0.00 -0.05 0.20 119.26 128.03 3kql h ALA 621 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kql h ALA 621 Cb 0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kql h ALA 621 CO -0.00 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 3kql n MET 623 N -3.53 0.17 -0.39 0.00 2.81 -0.13 -4.59 117.12 111.46 3kql n MET 623 Ca -0.02 0.35 -0.10 0.00 -1.81 0.00 0.00 57.70 56.12 3kql n MET 623 Cb 0.24 -1.10 -0.09 0.00 -0.71 0.00 0.00 33.22 31.55 3kql n MET 623 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3kql n SER 624 N -3.16 -0.98 0.00 7.83 7.64 0.53 -5.11 113.62 120.38 3kql n SER 624 Ca -0.03 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.51 3kql n SER 624 Cb 0.10 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 3kql n SER 624 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03