#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 -0.87 -0.35 1.43 0.02 -1.26 -4.86 135.00 129.11 3kql s PRO 190 Ca 0.00 0.49 -0.32 0.00 0.02 0.00 0.00 61.00 61.19 3kql s PRO 190 Cb 0.00 -1.59 -0.10 0.00 0.02 0.00 0.00 34.50 32.84 3kql s PRO 190 CO 0.00 -3.60 2.24 -2.30 -0.33 0.00 0.00 177.00 173.02 3kql n PRO 191 N -4.78 1.27 -1.39 5.54 -0.02 -1.26 -4.89 135.00 129.48 3kql n PRO 191 Ca 0.06 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 3kql n PRO 191 Cb 0.57 -2.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.36 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 10.97 -1.45 -2.62 3.55 0.00 -1.26 -4.93 120.51 124.76 3kql n ALA 192 Ca 0.39 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 3kql n ALA 192 Cb 0.31 -1.80 -0.07 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 -1.79 5.01 0.73 0.00 1.01 -1.26 -5.06 120.40 119.04 3kql s VAL 193 Ca 0.67 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 3kql s VAL 193 Cb -0.41 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.09 3kql s VAL 193 CO 0.57 0.04 1.12 -2.16 0.00 0.00 0.00 175.10 174.66 3kql s PRO 194 N 2.44 2.65 0.06 2.72 0.04 -1.26 -5.00 135.00 136.66 3kql s PRO 194 Ca 0.24 0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 3kql s PRO 194 Cb -0.16 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 32.22 3kql s PRO 194 CO 0.09 -1.16 1.61 1.96 0.04 0.00 0.00 177.00 179.53 3kql h GLN 195 N -0.75 -0.08 -6.10 4.56 7.50 -1.97 -3.45 115.11 114.83 3kql h GLN 195 Ca -0.45 0.01 -0.55 0.00 0.50 0.00 0.00 58.65 58.16 3kql h GLN 195 Cb 1.27 0.02 -0.08 0.00 0.05 0.00 0.00 27.48 28.74 3kql h GLN 195 CO 0.64 0.06 -0.55 0.95 -1.50 0.00 0.00 178.83 178.43 3kql s THR 196 N -5.69 3.05 0.23 -0.54 -4.23 -1.26 -4.93 115.64 102.26 3kql s THR 196 Ca -0.14 -1.72 -0.28 0.00 -1.18 0.00 0.00 61.69 58.37 3kql s THR 196 Cb 0.05 -2.96 -0.16 0.00 1.34 0.00 0.00 72.50 70.76 3kql s THR 196 CO 0.65 -0.20 0.65 0.33 -0.54 0.00 0.00 174.62 175.52 3kql n PHE 197 N -1.12 -0.01 -3.52 3.99 7.35 -1.24 -4.80 117.46 118.11 3kql n PHE 197 Ca -0.03 0.88 -0.17 0.00 -0.76 0.00 0.00 57.45 57.37 3kql n PHE 197 Cb 0.61 -2.04 -0.06 0.00 0.35 0.00 0.00 39.48 38.34 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 -1.17 1.07 -0.12 -4.13 -0.21 -0.67 -4.96 119.66 109.45 3kql s GLN 198 Ca 0.62 0.13 -0.01 0.00 0.02 0.00 0.00 55.36 56.12 3kql s GLN 198 Cb -0.85 0.50 -0.02 0.00 1.00 0.00 0.00 33.01 33.64 3kql s GLN 198 CO 0.57 -0.35 -0.09 0.08 -2.12 0.00 0.00 175.29 173.38 3kql s VAL 199 N -1.56 3.42 0.12 1.09 1.01 -1.26 -1.17 120.40 122.05 3kql s VAL 199 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3kql s VAL 199 Cb -0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3kql s VAL 199 CO 0.06 0.53 -0.16 0.00 0.00 0.00 0.00 175.10 175.53 3kql s ALA 200 N 0.13 1.56 -0.09 5.51 0.00 0.03 -4.97 121.76 123.93 3kql s ALA 200 Ca -0.04 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 3kql s ALA 200 Cb -0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3kql s ALA 200 CO 0.04 0.18 -0.03 -1.01 0.00 0.00 0.00 175.76 174.94 3kql s HIS 201 N -1.79 3.06 -0.20 0.00 3.76 -1.26 0.07 115.29 118.92 3kql s HIS 201 Ca 0.07 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 3kql s HIS 201 Cb -0.07 -1.78 0.05 0.00 1.11 0.00 0.00 32.58 31.89 3kql s HIS 201 CO 0.04 0.36 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.05 3kql s LEU 202 N -0.71 2.07 -0.17 0.89 2.96 -0.52 -4.90 118.68 118.30 3kql s LEU 202 Ca 0.11 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.14 3kql s LEU 202 Cb -0.11 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.51 3kql s LEU 202 CO 0.02 -0.19 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.69 3kql s HIS 203 N 1.50 2.78 -0.05 5.38 3.76 -1.26 -1.91 115.29 125.50 3kql s HIS 203 Ca -0.02 -1.30 -0.26 0.00 -0.15 0.00 0.00 55.06 53.34 3kql s HIS 203 Cb -0.17 -1.91 0.06 0.00 1.11 0.00 0.00 32.58 31.67 3kql s HIS 203 CO -0.07 -0.63 0.56 0.00 -0.85 0.00 0.00 174.74 173.75 3kql s ALA 204 N 1.06 -1.45 0.92 -1.40 0.00 -1.17 -5.03 121.76 114.68 3kql s ALA 204 Ca -0.01 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 3kql s ALA 204 Cb -0.14 -0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.09 3kql s ALA 204 CO -0.05 -0.33 1.04 -0.35 0.00 0.00 0.00 175.76 176.06 3kql n PRO 205 N 1.10 -0.44 -1.71 0.00 -0.04 -1.26 -3.82 135.00 128.83 3kql n PRO 205 Ca -0.20 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.77 3kql n PRO 205 Cb 0.57 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 3kql n PRO 205 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kql n THR 206 N -4.16 1.64 -0.97 0.52 -2.24 -1.26 -1.57 114.28 106.24 3kql n THR 206 Ca 0.11 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3kql n THR 206 Cb 0.52 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 1.22 0.74 0.09 3.38 0.00 -1.26 -4.92 105.19 104.44 3kql n GLY 207 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.12 0.00 1.61 0.02 -1.61 -3.42 113.55 110.03 3kql h SER 208 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3kql h SER 208 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3kql h SER 208 CO 0.00 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 3kql n GLY 209 N -0.92 0.99 0.26 -3.77 0.00 -1.26 -4.95 105.19 95.54 3kql n GLY 209 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.79 0.00 1.61 1.57 -1.91 -1.74 116.57 116.89 3kql h LYS 210 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3kql h LYS 210 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3kql h LYS 210 CO 0.00 0.97 -0.31 0.43 -0.57 0.00 0.00 179.45 179.97 3kql n SER 211 N -4.09 0.36 0.05 0.86 7.64 -1.26 -4.02 113.62 113.16 3kql n SER 211 Ca -0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3kql n SER 211 Cb 0.47 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3kql n SER 211 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kql n THR 212 N -1.61 0.77 0.08 0.44 -2.24 -1.21 -4.71 114.28 105.81 3kql n THR 212 Ca 0.06 0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.97 3kql n THR 212 Cb 0.35 -1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.27 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 0.00 -0.20 0.24 -0.78 1.57 -1.60 -1.25 116.57 114.56 3kql h LYS 213 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3kql h LYS 213 Cb 0.00 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3kql h LYS 213 CO 0.00 -0.13 -0.44 0.28 -0.57 0.00 0.00 179.45 178.59 3kql h VAL 214 N -0.20 0.13 0.00 0.50 2.07 -1.56 -0.15 116.25 117.04 3kql h VAL 214 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3kql h VAL 214 Cb 0.21 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3kql h VAL 214 CO -0.04 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 179.01 3kql h PRO 215 N -0.75 0.00 -0.24 1.57 0.13 -1.73 -0.81 132.00 130.17 3kql h PRO 215 Ca -0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 3kql h PRO 215 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3kql h PRO 215 CO -0.18 0.09 -0.45 0.00 -0.23 0.00 0.00 178.00 177.23 3kql h ALA 216 N 1.91 0.75 -0.22 -0.56 0.00 -0.55 -1.46 119.26 119.13 3kql h ALA 216 Ca -0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 3kql h ALA 216 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kql h ALA 216 CO 0.01 0.66 -0.42 0.00 0.00 0.00 0.00 179.25 179.51 3kql h ALA 217 N 1.00 0.86 -0.26 0.00 0.00 0.33 -1.86 119.26 119.32 3kql h ALA 217 Ca 0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3kql h ALA 217 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kql h ALA 217 CO 0.09 0.64 -0.13 1.88 0.00 0.00 0.00 179.25 181.74 3kql h TYR 218 N 0.44 0.63 -0.56 0.00 0.05 -1.12 -2.96 116.97 113.45 3kql h TYR 218 Ca 0.04 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.70 3kql h TYR 218 Cb 0.91 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.46 3kql h TYR 218 CO 0.04 0.80 0.30 0.00 -1.05 0.00 0.00 178.16 178.25 3kql h ALA 219 N 0.73 0.72 -0.12 3.88 0.00 -1.16 0.01 119.26 123.33 3kql h ALA 219 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kql h ALA 219 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kql h ALA 219 CO 0.04 -0.02 0.18 0.00 0.00 0.00 0.00 179.25 179.45 3kql h ALA 220 N 1.28 1.59 -0.01 0.00 0.00 -1.24 0.63 119.26 121.52 3kql h ALA 220 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kql h ALA 220 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kql h ALA 220 CO -0.15 -0.24 -0.11 1.04 0.00 0.00 0.00 179.25 179.79 3kql n GLN 221 N -3.53 0.96 -0.95 0.00 6.02 -0.03 -4.93 117.38 114.93 3kql n GLN 221 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 3kql n GLN 221 Cb 0.28 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.24 1.02 3.72 1.08 0.00 0.22 -5.09 105.19 107.38 3kql n GLY 222 Ca 0.16 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 3.08 -0.22 1.61 2.02 -1.13 -5.02 117.35 115.68 3kql s TYR 223 Ca 0.00 0.04 -0.20 0.00 -0.37 0.00 0.00 57.07 56.54 3kql s TYR 223 Cb 0.00 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 3kql s TYR 223 CO 0.00 0.49 0.61 0.15 -1.57 0.00 0.00 175.55 175.24 3kql s LYS 224 N -2.15 4.17 -0.08 -0.62 1.02 -1.26 -4.25 119.74 116.57 3kql s LYS 224 Ca 0.25 0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.83 3kql s LYS 224 Cb -0.12 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 3kql s LYS 224 CO 0.18 -0.29 -0.14 0.08 -0.92 0.00 0.00 175.35 174.25 3kql s VAL 225 N 2.10 3.02 -0.21 3.17 1.01 0.12 -1.63 120.40 127.98 3kql s VAL 225 Ca 0.27 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kql s VAL 225 Cb -0.16 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.05 3kql s VAL 225 CO 0.10 0.56 -0.16 -0.22 0.00 0.00 0.00 175.10 175.38 3kql s LEU 226 N -0.28 2.62 -0.27 3.92 2.96 -0.18 -0.34 118.68 127.10 3kql s LEU 226 Ca 0.02 -0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 52.91 3kql s LEU 226 Cb -0.13 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3kql s LEU 226 CO 0.03 -0.08 0.10 -0.69 -1.32 0.00 0.00 176.35 174.39 3kql s VAL 227 N 1.23 4.42 -0.21 1.68 1.01 0.97 -0.46 120.40 129.04 3kql s VAL 227 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3kql s VAL 227 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3kql s VAL 227 CO -0.10 0.23 0.09 -0.76 0.00 0.00 0.00 175.10 174.56 3kql s LEU 228 N 1.61 3.86 0.11 3.92 1.43 0.07 -1.31 118.68 128.37 3kql s LEU 228 Ca 0.06 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3kql s LEU 228 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3kql s LEU 228 CO 0.05 0.12 -0.15 0.20 0.23 0.00 0.00 176.35 176.79 3kql s ASN 229 N 0.72 2.08 0.15 2.29 0.01 -0.36 -1.05 114.94 118.78 3kql s ASN 229 Ca 0.05 -0.76 0.11 0.00 -0.71 0.00 0.00 52.86 51.55 3kql s ASN 229 Cb -0.13 -0.08 -0.12 0.00 0.41 0.00 0.00 41.25 41.32 3kql s ASN 229 CO 0.02 -0.09 1.23 1.55 -1.51 0.00 0.00 177.10 178.29 3kql h PRO 230 N 3.74 0.00 -6.49 -0.60 0.13 -1.88 -1.61 132.00 125.29 3kql h PRO 230 Ca -0.41 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.19 3kql h PRO 230 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3kql h PRO 230 CO 0.47 0.74 0.21 0.45 -0.23 0.00 0.00 178.00 179.64 3kql s SER 231 N -6.49 7.39 0.03 1.44 0.15 -1.26 -4.70 113.70 110.25 3kql s SER 231 Ca 0.01 1.64 -0.19 0.00 0.70 0.00 0.00 55.95 58.12 3kql s SER 231 Cb 0.09 -2.51 -0.19 0.00 -1.71 0.00 0.00 66.02 61.69 3kql s SER 231 CO 0.80 0.12 1.20 0.58 1.20 0.00 0.00 173.24 177.14 3kql h VAL 232 N 3.59 1.39 -0.91 4.45 2.07 -1.90 -2.61 116.25 122.33 3kql h VAL 232 Ca -0.46 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 3kql h VAL 232 Cb 1.21 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 3kql h VAL 232 CO 0.68 0.54 0.52 0.00 0.02 0.00 0.00 177.57 179.34 3kql h ALA 233 N 0.44 1.17 0.47 1.67 0.00 -1.95 -1.72 119.26 119.34 3kql h ALA 233 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kql h ALA 233 Cb 1.12 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kql h ALA 233 CO 0.10 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.77 3kql h ALA 234 N 1.29 -0.63 -0.33 0.00 0.00 -1.83 -0.44 119.26 117.32 3kql h ALA 234 Ca 0.32 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3kql h ALA 234 Cb -0.01 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3kql h ALA 234 CO -0.06 -0.77 -0.32 1.15 0.00 0.00 0.00 179.25 179.25 3kql h THR 235 N -0.80 0.25 -0.72 0.00 2.02 -1.29 -0.69 112.91 111.69 3kql h THR 235 Ca -0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3kql h THR 235 Cb 0.56 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3kql h THR 235 CO 0.11 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.40 3kql h LEU 236 N -0.29 0.81 -1.29 2.58 3.38 -1.29 -3.02 115.31 116.20 3kql h LEU 236 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3kql h LEU 236 Cb 0.53 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kql h LEU 236 CO -0.48 0.58 0.16 1.23 0.09 0.00 0.00 178.44 180.02 3kql h GLY 237 N 0.95 0.70 1.71 0.83 0.00 0.49 -2.96 103.07 104.80 3kql h GLY 237 Ca 0.27 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.29 3kql h GLY 237 CO -0.06 0.33 0.11 0.74 0.00 0.00 0.00 176.54 177.65 3kql h PHE 238 N 0.64 0.00 0.06 5.60 0.04 -1.34 -3.28 116.94 118.66 3kql h PHE 238 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3kql h PHE 238 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3kql h PHE 238 CO 0.01 0.00 -0.15 0.78 -0.60 0.00 0.00 178.31 178.35 3kql h GLY 239 N 0.00 -1.12 0.93 -1.45 0.00 -1.67 0.71 103.07 100.45 3kql h GLY 239 Ca 0.07 0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.94 3kql h GLY 239 CO -0.00 -0.38 0.60 0.00 0.00 0.00 0.00 176.54 176.76 3kql h ALA 240 N -1.33 1.20 -0.15 3.60 0.00 -1.78 -2.91 119.26 117.89 3kql h ALA 240 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3kql h ALA 240 Cb 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kql h ALA 240 CO -0.07 0.50 -0.05 -0.92 0.00 0.00 0.00 179.25 178.72 3kql h TYR 241 N 1.19 0.34 -0.16 0.00 5.03 -1.60 -2.68 116.97 119.09 3kql h TYR 241 Ca 0.36 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.59 3kql h TYR 241 Cb -0.05 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 3kql h TYR 241 CO -0.01 0.59 0.11 0.52 -1.32 0.00 0.00 178.16 178.05 3kql h MET 242 N -0.01 0.22 0.11 1.82 2.86 -0.82 0.12 114.93 119.23 3kql h MET 242 Ca 0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3kql h MET 242 Cb 0.49 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3kql h MET 242 CO 0.02 0.14 -0.05 1.03 1.06 0.00 0.00 176.91 179.11 3kql h SER 243 N 0.22 -0.13 0.13 1.22 0.87 -1.43 -0.89 113.55 113.55 3kql h SER 243 Ca 0.06 -0.26 -0.25 0.00 -1.23 0.00 0.00 61.79 60.11 3kql h SER 243 Cb -0.02 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3kql h SER 243 CO -0.01 0.20 -1.01 0.11 -0.53 0.00 0.00 176.83 175.59 3kql h LYS 244 N -0.47 0.59 0.00 2.24 1.57 -1.12 -2.73 116.57 116.65 3kql h LYS 244 Ca -0.02 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 3kql h LYS 244 Cb 0.38 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3kql h LYS 244 CO 0.03 1.24 -1.13 0.00 -0.57 0.00 0.00 179.45 179.02 3kql n ALA 245 N -2.61 3.98 -0.61 3.86 0.00 0.39 -4.48 120.51 121.05 3kql n ALA 245 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3kql n ALA 245 Cb 0.87 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3kql n ALA 245 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kql n HIS 246 N -1.75 0.00 -3.52 0.00 8.25 -0.37 -5.03 115.22 112.80 3kql n HIS 246 Ca 0.02 -0.20 -0.23 0.00 -0.26 0.00 0.00 57.72 57.05 3kql n HIS 246 Cb 0.40 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.20 -1.09 3.16 -1.41 0.00 -1.03 -4.94 105.19 99.67 3kql n GLY 247 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.34 -0.22 -0.58 -0.61 2.07 -1.15 -4.99 121.20 112.38 3kql s ILE 248 Ca 0.36 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.36 3kql s ILE 248 Cb -0.11 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.52 3kql s ILE 248 CO 0.83 0.00 1.00 -0.62 -1.91 0.00 0.00 174.94 174.23 3kql s ASP 249 N 2.92 6.31 0.80 4.50 3.68 -1.26 -3.08 116.67 130.53 3kql s ASP 249 Ca -0.05 -0.41 -0.11 0.00 2.13 0.00 0.00 52.55 54.12 3kql s ASP 249 Cb -0.09 -2.46 0.09 0.00 -1.45 0.00 0.00 42.92 39.01 3kql s ASP 249 CO -0.10 -1.33 1.15 -2.16 0.13 0.00 0.00 175.17 172.86 3kql s PRO 250 N 4.21 1.89 0.22 4.34 0.04 -1.26 -4.48 135.00 139.96 3kql s PRO 250 Ca 0.31 -0.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.03 3kql s PRO 250 Cb -0.12 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3kql s PRO 250 CO 0.18 -1.59 0.88 -0.80 0.04 0.00 0.00 177.00 175.71 3kql s ASN 251 N -4.60 7.51 -0.08 6.66 0.01 -0.80 -4.67 114.94 118.98 3kql s ASN 251 Ca 0.63 1.82 0.04 0.00 -0.71 0.00 0.00 52.86 54.64 3kql s ASN 251 Cb -0.10 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.00 3kql s ASN 251 CO 0.48 0.15 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.40 3kql s ILE 252 N -1.22 1.71 -0.14 0.60 -1.09 0.15 -0.48 121.20 120.73 3kql s ILE 252 Ca 0.40 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.97 3kql s ILE 252 Cb -0.24 -1.49 0.04 0.00 -1.58 0.00 0.00 42.46 39.20 3kql s ILE 252 CO 0.29 0.48 0.02 -0.13 -1.23 0.00 0.00 174.94 174.37 3kql s ARG 253 N 0.32 0.68 0.08 2.79 0.52 0.59 -0.31 118.95 123.63 3kql s ARG 253 Ca -0.14 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3kql s ARG 253 Cb -0.16 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 3kql s ARG 253 CO 0.06 -0.47 0.02 0.95 0.02 0.00 0.00 175.30 175.87 3kql s THR 254 N 1.90 0.17 0.39 0.02 -4.23 -0.17 -2.67 115.64 111.05 3kql s THR 254 Ca 0.02 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.82 3kql s THR 254 Cb -0.15 -1.71 0.32 0.00 1.34 0.00 0.00 72.50 72.30 3kql s THR 254 CO -0.07 -0.78 1.93 1.23 -0.54 0.00 0.00 174.62 176.40 3kql h GLY 255 N 3.02 0.88 0.79 3.99 0.00 -1.95 -3.08 103.07 106.72 3kql h GLY 255 Ca -0.34 -0.25 -0.32 0.00 0.00 0.00 0.00 47.33 46.42 3kql h GLY 255 CO 0.63 0.13 -1.85 1.55 0.00 0.00 0.00 176.54 177.00 3kql n VAL 256 N -4.50 1.66 -3.93 4.60 3.14 -1.26 -4.98 118.33 113.07 3kql n VAL 256 Ca 0.13 -0.75 -0.10 0.00 -2.96 0.00 0.00 64.34 60.66 3kql n VAL 256 Cb 0.38 -1.26 -0.12 0.00 -1.06 0.00 0.00 33.84 31.79 3kql n VAL 256 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3kql s ARG 257 N -2.58 0.23 -0.00 1.45 3.52 -1.16 -5.15 118.95 115.25 3kql s ARG 257 Ca -0.12 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3kql s ARG 257 Cb 0.07 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 3kql s ARG 257 CO 0.80 -0.04 -0.02 0.99 -0.81 0.00 0.00 175.30 176.23 3kql s THR 258 N -0.96 0.14 -0.19 4.11 2.01 -1.26 -1.00 115.64 118.48 3kql s THR 258 Ca -0.11 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 3kql s THR 258 Cb -0.06 -0.14 0.06 0.00 0.01 0.00 0.00 72.50 72.36 3kql s THR 258 CO -0.00 0.05 0.00 -0.63 -0.69 0.00 0.00 174.62 173.35 3kql s ILE 259 N 0.08 0.82 -0.22 1.82 1.01 0.58 -4.96 121.20 120.34 3kql s ILE 259 Ca -0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 3kql s ILE 259 Cb -0.02 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3kql s ILE 259 CO -0.00 -0.12 0.08 -0.89 0.00 0.00 0.00 174.94 174.01 3kql s THR 260 N 1.73 4.69 0.00 2.92 2.01 -1.26 -0.68 115.64 125.05 3kql s THR 260 Ca -0.02 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.93 3kql s THR 260 Cb -0.17 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.18 3kql s THR 260 CO -0.07 0.39 0.00 0.35 -0.69 0.00 0.00 174.62 174.59 3kql n THR 261 N 4.24 0.00 -0.73 -0.82 -2.24 -1.26 -5.02 114.28 108.45 3kql n THR 261 Ca -0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3kql n THR 261 Cb 0.52 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.17 0.77 3.66 3.38 0.00 -1.26 -5.05 105.19 107.85 3kql n GLY 262 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3kql n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kql s ALA 263 N -2.85 1.23 -1.13 4.61 0.00 -1.26 -4.92 121.76 117.45 3kql s ALA 263 Ca 0.00 0.34 0.22 0.00 0.00 0.00 0.00 51.96 52.52 3kql s ALA 263 Cb 0.00 -3.36 0.98 0.00 0.00 0.00 0.00 23.12 20.74 3kql s ALA 263 CO 0.00 -2.77 1.70 -0.35 0.00 0.00 0.00 175.76 174.34 3kql n PRO 264 N -4.22 0.09 -4.82 0.00 -0.04 -1.26 -4.71 135.00 120.04 3kql n PRO 264 Ca 0.09 0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 63.34 3kql n PRO 264 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.87 3.16 -0.04 0.52 1.01 -1.26 0.14 121.20 121.85 3kql s ILE 265 Ca 0.14 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3kql s ILE 265 Cb 0.14 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.36 3kql s ILE 265 CO 0.38 0.58 -0.08 -0.89 0.00 0.00 0.00 174.94 174.92 3kql s THR 266 N -0.49 0.78 -0.13 2.92 2.01 0.54 -1.90 115.64 119.37 3kql s THR 266 Ca 0.06 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 3kql s THR 266 Cb -0.12 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 3kql s THR 266 CO 0.02 0.26 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.77 3kql s TYR 267 N 0.52 2.81 0.14 4.92 1.51 0.37 -0.02 117.35 127.59 3kql s TYR 267 Ca -0.08 -0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 55.30 3kql s TYR 267 Cb -0.12 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 3kql s TYR 267 CO 0.01 -0.19 0.20 0.45 -1.11 0.00 0.00 175.55 174.91 3kql s SER 268 N 0.30 0.14 0.39 2.29 0.15 -0.43 -0.30 113.70 116.25 3kql s SER 268 Ca -0.10 -0.92 -0.01 0.00 0.70 0.00 0.00 55.95 55.62 3kql s SER 268 Cb -0.16 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 3kql s SER 268 CO 0.05 -0.81 0.61 0.42 1.20 0.00 0.00 173.24 174.72 3kql s THR 269 N -3.97 4.95 0.21 6.45 -4.23 -1.09 -1.22 115.64 116.74 3kql s THR 269 Ca 0.16 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.26 3kql s THR 269 Cb 0.05 -3.83 0.15 0.00 1.34 0.00 0.00 72.50 70.22 3kql s THR 269 CO -0.02 -0.60 1.80 1.88 -0.54 0.00 0.00 174.62 177.14 3kql h TYR 270 N 0.60 1.13 -0.07 3.99 0.05 -1.57 -1.81 116.97 119.29 3kql h TYR 270 Ca -0.49 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.26 3kql h TYR 270 Cb 1.22 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 3kql h TYR 270 CO 0.52 0.83 -0.12 0.78 -1.05 0.00 0.00 178.16 179.12 3kql h GLY 271 N 1.10 -0.08 1.81 3.88 0.00 -1.85 -0.12 103.07 107.81 3kql h GLY 271 Ca 0.27 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 3kql h GLY 271 CO -0.03 -0.12 -0.33 1.70 0.00 0.00 0.00 176.54 177.75 3kql h LYS 272 N -0.16 0.22 -0.48 4.80 1.63 -1.87 -1.02 116.57 119.70 3kql h LYS 272 Ca 0.07 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3kql h LYS 272 Cb 0.25 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3kql h LYS 272 CO -0.17 0.54 0.20 0.35 -3.45 0.00 0.00 179.45 176.92 3kql h PHE 273 N 0.20 0.72 -0.20 1.91 3.57 -0.83 0.88 116.94 123.18 3kql h PHE 273 Ca 0.03 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3kql h PHE 273 Cb 0.69 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3kql h PHE 273 CO 0.01 0.60 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.49 3kql h LEU 274 N 0.63 0.47 -1.72 0.59 3.38 -0.76 -0.01 115.31 117.89 3kql h LEU 274 Ca 0.16 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3kql h LEU 274 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kql h LEU 274 CO -0.01 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.53 3kql h ALA 275 N 0.68 1.82 0.00 1.53 0.00 -1.01 0.17 119.26 122.46 3kql h ALA 275 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kql h ALA 275 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kql h ALA 275 CO 0.04 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 3kql n ASP 276 N -4.49 0.00 0.00 0.00 8.00 0.29 -4.89 116.55 115.46 3kql n ASP 276 Ca 0.02 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3kql n ASP 276 Cb 0.09 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 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 1.12 0.97 7.00 0.44 0.00 0.05 -4.21 105.19 110.56 3kql n GLY 277 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.04 0.16 0.07 -0.02 0.00 -0.04 -3.49 105.19 100.83 3kql n GLY 278 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.37 0.92 -1.42 0.00 7.64 -1.23 -4.44 113.62 114.73 3kql n SER 280 Ca 0.00 -0.96 -0.04 0.00 1.01 0.00 0.00 58.87 58.88 3kql n SER 280 Cb 0.01 0.88 0.15 0.00 -1.01 0.00 0.00 64.21 64.24 3kql n SER 280 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kql n GLY 281 N 1.31 2.75 0.00 0.23 0.00 -0.64 -4.92 105.19 103.92 3kql n GLY 281 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 3.99 3.31 -0.02 0.00 -1.26 -5.07 105.19 106.14 3kql n GLY 282 Ca 0.22 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.95 0.17 4.61 0.00 -1.26 -4.88 121.76 121.35 3kql s ALA 283 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 51.96 50.68 3kql s ALA 283 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3kql s ALA 283 CO 0.00 -0.79 -0.24 0.71 0.00 0.00 0.00 175.76 175.44 3kql s TYR 284 N 1.46 2.33 -0.02 0.00 1.51 -1.26 -4.98 117.35 116.39 3kql s TYR 284 Ca 0.03 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3kql s TYR 284 Cb -0.16 -1.19 -0.29 0.00 -0.11 0.00 0.00 41.96 40.21 3kql s TYR 284 CO 0.00 0.45 0.76 -0.44 -1.11 0.00 0.00 175.55 175.21 3kql h ASP 285 N 3.41 0.48 -3.72 2.29 3.45 -1.61 -3.34 116.42 117.39 3kql h ASP 285 Ca -0.48 -0.71 -0.51 0.00 0.43 0.00 0.00 57.03 55.76 3kql h ASP 285 Cb 1.19 -0.16 -0.32 0.00 -0.56 0.00 0.00 39.33 39.49 3kql h ASP 285 CO 0.45 1.60 -0.82 -0.63 -1.57 0.00 0.00 179.24 178.28 3kql s ILE 286 N -2.60 1.16 -0.17 0.35 1.01 -0.79 -1.77 121.20 118.39 3kql s ILE 286 Ca -0.12 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3kql s ILE 286 Cb 0.06 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.54 3kql s ILE 286 CO 0.85 0.35 -0.13 -0.63 0.00 0.00 0.00 174.94 175.38 3kql s ILE 287 N 0.29 1.64 -0.27 2.92 1.01 -0.73 -1.01 121.20 125.05 3kql s ILE 287 Ca -0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 3kql s ILE 287 Cb -0.12 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3kql s ILE 287 CO 0.02 0.36 0.26 -0.63 0.00 0.00 0.00 174.94 174.95 3kql s ILE 288 N 1.44 5.26 -0.88 2.92 -1.09 0.39 -0.98 121.20 128.25 3kql s ILE 288 Ca 0.03 0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 58.63 3kql s ILE 288 Cb -0.14 -3.59 0.21 0.00 -1.58 0.00 0.00 42.46 37.36 3kql s ILE 288 CO -0.10 0.22 0.87 0.00 -1.23 0.00 0.00 174.94 174.70 3kql s ASP 290 N 2.29 3.92 -1.50 0.00 -0.00 -0.21 -1.79 116.67 119.37 3kql s ASP 290 Ca 0.22 1.86 -0.05 0.00 -0.00 0.00 0.00 52.55 54.58 3kql s ASP 290 Cb -0.09 -2.48 0.01 0.00 -0.00 0.00 0.00 42.92 40.35 3kql s ASP 290 CO -0.09 -2.41 0.11 -0.62 -0.00 0.00 0.00 175.17 172.15 3kql n GLU 291 N -3.77 -0.95 0.00 8.23 -0.58 -0.76 -4.72 120.64 118.10 3kql n GLU 291 Ca 0.09 0.10 0.07 0.00 -0.42 0.00 0.00 57.16 57.00 3kql n GLU 291 Cb 0.53 -3.48 0.36 0.00 -0.57 0.00 0.00 31.44 28.28 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 -3.09 0.00 2.07 -1.85 -3.43 115.15 108.85 3kql h HIS 293 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 3kql h HIS 293 Cb 0.17 0.00 0.13 0.00 2.57 0.00 0.00 27.41 30.28 3kql h HIS 293 CO 0.00 0.00 0.18 0.43 -3.07 0.00 0.00 177.93 175.47 3kql n SER 294 N -2.98 1.34 -0.55 3.10 7.64 -0.72 -4.83 113.62 116.61 3kql n SER 294 Ca 0.04 1.04 0.06 0.00 1.01 0.00 0.00 58.87 61.02 3kql n SER 294 Cb 0.52 -1.36 0.20 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.48 2.18 -3.20 0.44 -2.24 -1.26 -4.70 114.28 105.03 3kql n THR 295 Ca 0.09 -3.05 -0.38 0.00 -2.27 0.00 0.00 64.05 58.44 3kql n THR 295 Cb 0.39 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.13 7.11 0.31 3.42 1.47 -1.26 -4.95 116.67 119.64 3kql s ASP 296 Ca 0.38 1.35 0.07 0.00 1.18 0.00 0.00 52.55 55.52 3kql s ASP 296 Cb 0.36 -2.39 0.82 0.00 -0.34 0.00 0.00 42.92 41.37 3kql s ASP 296 CO -0.05 0.21 1.72 0.77 0.68 0.00 0.00 175.17 178.50 3kql h SER 297 N 4.23 0.57 -0.64 2.11 4.64 -1.95 -1.57 113.55 120.94 3kql h SER 297 Ca -0.49 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3kql h SER 297 Cb 1.21 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 3kql h SER 297 CO 0.64 0.08 0.41 0.74 -0.87 0.00 0.00 176.83 177.83 3kql h THR 298 N 0.53 1.18 -0.31 2.95 2.02 -1.94 -0.10 112.91 117.23 3kql h THR 298 Ca 0.61 -0.35 -0.15 0.00 0.77 0.00 0.00 66.41 67.29 3kql h THR 298 Cb 1.15 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3kql h THR 298 CO -0.49 0.17 -0.39 0.74 0.37 0.00 0.00 175.52 175.93 3kql h THR 299 N 0.87 1.29 0.55 3.16 2.02 -1.69 -0.10 112.91 118.99 3kql h THR 299 Ca 0.23 -1.57 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 3kql h THR 299 Cb -0.06 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3kql h THR 299 CO -0.05 0.51 -0.36 0.40 0.37 0.00 0.00 175.52 176.39 3kql h ILE 300 N 0.60 0.26 -0.59 3.11 1.08 -1.05 -0.16 117.51 120.76 3kql h ILE 300 Ca 0.04 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.58 3kql h ILE 300 Cb 0.98 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3kql h ILE 300 CO 0.09 0.00 0.39 0.25 -0.69 0.00 0.00 178.15 178.20 3kql h LEU 301 N -0.87 0.48 0.61 1.44 6.46 -1.01 -0.28 115.31 122.15 3kql h LEU 301 Ca -0.06 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 3kql h LEU 301 Cb 0.72 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.55 3kql h LEU 301 CO 0.05 0.31 -0.29 1.23 -0.62 0.00 0.00 178.44 179.12 3kql h GLY 302 N 0.55 -0.86 1.24 3.75 0.00 -0.33 -1.58 103.07 105.84 3kql h GLY 302 Ca 0.26 0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.91 3kql h GLY 302 CO -0.07 -0.31 0.51 -2.22 0.00 0.00 0.00 176.54 174.44 3kql h ILE 303 N -1.06 1.20 -0.72 2.60 2.04 -0.80 -0.77 117.51 120.01 3kql h ILE 303 Ca -0.08 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3kql h ILE 303 Cb 0.68 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3kql h ILE 303 CO 0.14 0.20 0.36 1.23 0.00 0.00 0.00 178.15 180.07 3kql h GLY 304 N 1.06 1.09 0.95 5.37 0.00 -1.01 -1.30 103.07 109.22 3kql h GLY 304 Ca 0.28 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3kql h GLY 304 CO -0.06 0.49 -0.04 -0.84 0.00 0.00 0.00 176.54 176.09 3kql h THR 305 N 1.02 0.96 -0.76 4.70 2.02 -0.11 -2.57 112.91 118.17 3kql h THR 305 Ca 0.25 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 3kql h THR 305 Cb 0.08 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3kql h THR 305 CO -0.03 0.03 0.25 -0.37 0.37 0.00 0.00 175.52 175.77 3kql h VAL 306 N -0.16 1.26 0.00 3.16 -1.51 -1.17 -1.59 116.25 116.24 3kql h VAL 306 Ca -0.01 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3kql h VAL 306 Cb 0.13 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.70 3kql h VAL 306 CO 0.02 0.35 0.00 0.18 -1.23 0.00 0.00 177.57 176.89 3kql n LEU 307 N -4.25 0.45 -0.03 4.19 4.77 -0.51 -0.13 117.00 121.48 3kql n LEU 307 Ca 0.06 0.63 0.04 0.00 -0.03 0.00 0.00 56.01 56.71 3kql n LEU 307 Cb 0.22 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 3kql n LEU 307 CO 0.42 -0.55 -0.83 -0.67 -1.33 0.00 0.00 177.39 174.43 3kql n ASP 308 N -2.02 0.76 -0.00 -1.43 2.03 -0.92 -4.70 116.55 110.27 3kql n ASP 308 Ca 0.02 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.34 3kql n ASP 308 Cb 0.17 1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 42.10 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 -2.30 1.44 -0.09 -0.67 6.02 -0.65 -4.79 117.38 116.33 3kql n GLN 309 Ca -0.11 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.80 3kql n GLN 309 Cb 0.67 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.98 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 0.21 0.16 -0.18 -1.58 0.00 -0.75 0.02 119.26 117.15 3kql h ALA 310 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kql h ALA 310 Cb 0.09 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kql h ALA 310 CO 0.00 -0.50 0.03 1.49 0.00 0.00 0.00 179.25 180.27 3kql h GLU 311 N -0.06 0.09 0.00 0.00 4.81 -1.80 -0.76 114.58 116.87 3kql h GLU 311 Ca 0.17 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3kql h GLU 311 Cb 0.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3kql h GLU 311 CO -0.38 0.06 -0.34 1.15 -0.73 0.00 0.00 179.01 178.78 3kql h THR 312 N 0.09 1.07 0.00 0.32 2.02 -1.82 -1.87 112.91 112.73 3kql h THR 312 Ca 0.08 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3kql h THR 312 Cb 0.08 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3kql h THR 312 CO -0.11 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.11 3kql n ALA 313 N -2.40 2.45 -0.61 6.16 0.00 -0.03 -4.85 120.51 121.24 3kql n ALA 313 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kql n ALA 313 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.74 3.76 0.00 0.00 -0.70 -4.70 105.19 104.86 3kql n GLY 314 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.45 3.41 -0.40 4.61 0.00 -0.36 -4.79 121.76 121.78 3kql s ALA 315 Ca 0.00 0.91 0.16 0.00 0.00 0.00 0.00 51.96 53.03 3kql s ALA 315 Cb 0.00 -3.33 -0.21 0.00 0.00 0.00 0.00 23.12 19.57 3kql s ALA 315 CO 0.00 -0.18 0.53 2.89 0.00 0.00 0.00 175.76 179.00 3kql n ARG 316 N 1.23 1.11 -3.69 0.00 1.85 -0.73 -4.27 116.66 112.17 3kql n ARG 316 Ca -0.01 -0.07 -0.12 0.00 -1.00 0.00 0.00 57.85 56.65 3kql n ARG 316 Cb 0.45 -1.32 -0.12 0.00 -1.05 0.00 0.00 32.46 30.41 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 -3.43 -0.06 -0.19 2.89 2.96 -1.12 -1.68 118.68 118.05 3kql s LEU 317 Ca 0.00 0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 3kql s LEU 317 Cb 0.11 0.89 -0.00 0.00 0.50 0.00 0.00 46.19 47.69 3kql s LEU 317 CO 0.68 -0.21 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.70 3kql s VAL 318 N 1.88 2.90 -0.21 1.68 1.01 -0.32 -1.77 120.40 125.58 3kql s VAL 318 Ca -0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3kql s VAL 318 Cb -0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3kql s VAL 318 CO -0.10 0.48 0.03 -0.69 0.00 0.00 0.00 175.10 174.83 3kql s VAL 319 N 1.16 4.21 -0.59 2.92 1.01 -0.15 -0.79 120.40 128.17 3kql s VAL 319 Ca 0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 3kql s VAL 319 Cb -0.14 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.45 3kql s VAL 319 CO -0.04 0.41 0.59 -0.76 0.00 0.00 0.00 175.10 175.30 3kql s LEU 320 N 1.05 6.04 -0.03 3.92 1.43 0.11 0.10 118.68 131.29 3kql s LEU 320 Ca 0.03 -1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 51.26 3kql s LEU 320 Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 3kql s LEU 320 CO 0.02 -0.90 0.23 0.00 0.23 0.00 0.00 176.35 175.94 3kql s ALA 321 N 1.73 3.86 -0.23 4.21 0.00 -0.74 -1.44 121.76 129.15 3kql s ALA 321 Ca 0.07 -0.59 -0.33 0.00 0.00 0.00 0.00 51.96 51.11 3kql s ALA 321 Cb -0.26 -2.04 0.16 0.00 0.00 0.00 0.00 23.12 20.98 3kql s ALA 321 CO 0.02 0.64 1.24 -0.08 0.00 0.00 0.00 175.76 177.59 3kql s THR 322 N -1.22 0.00 -2.38 0.00 -1.32 -0.80 -1.82 115.64 108.10 3kql s THR 322 Ca 0.24 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.94 3kql s THR 322 Cb -0.13 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.95 3kql s THR 322 CO 0.13 0.00 1.13 0.00 -2.21 0.00 0.00 174.62 173.67 3kql n ALA 323 N 0.25 2.94 -3.21 11.08 0.00 -1.25 -3.04 120.51 127.28 3kql n ALA 323 Ca -0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.54 3kql n ALA 323 Cb 0.58 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 0.65 -0.78 -1.26 0.00 -2.24 -1.26 -4.78 114.28 104.61 3kql n THR 324 Ca 0.11 -3.67 -0.33 0.00 -2.27 0.00 0.00 64.05 57.88 3kql n THR 324 Cb 0.50 -1.64 0.11 0.00 -2.10 0.00 0.00 70.33 67.20 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 -0.74 1.89 0.22 -0.78 0.04 -1.26 -4.75 135.00 129.63 3kql s PRO 325 Ca 0.34 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 3kql s PRO 325 Cb 0.14 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.72 3kql s PRO 325 CO -0.14 -2.01 1.28 -0.35 0.04 0.00 0.00 177.00 175.82 3kql n PRO 326 N -3.10 1.66 0.00 0.56 -0.04 -1.26 -1.76 135.00 131.06 3kql n PRO 326 Ca 0.13 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3kql n PRO 326 Cb 0.51 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 3kql n PRO 326 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kql n GLY 327 N 1.97 3.31 3.79 0.55 0.00 -1.12 -4.92 105.19 108.76 3kql n GLY 327 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.88 5.46 0.22 1.61 1.04 -0.72 -4.89 113.70 115.54 3kql s SER 328 Ca 0.00 1.85 0.10 0.00 0.48 0.00 0.00 55.95 58.37 3kql s SER 328 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 3kql s SER 328 CO 0.00 -1.39 -0.18 0.68 0.98 0.00 0.00 173.24 173.33 3kql s VAL 329 N -2.52 2.09 0.05 5.02 -7.23 -1.26 -4.68 120.40 111.87 3kql s VAL 329 Ca 0.64 -2.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 3kql s VAL 329 Cb -0.17 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 3kql s VAL 329 CO 0.42 -0.41 1.65 -0.89 -0.31 0.00 0.00 175.10 175.56 3kql s THR 330 N -2.45 3.15 0.32 5.32 2.01 -1.26 -5.00 115.64 117.74 3kql s THR 330 Ca 0.23 0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.87 3kql s THR 330 Cb -0.04 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 3kql s THR 330 CO 0.10 -0.01 -0.08 0.68 -0.69 0.00 0.00 174.62 174.62 3kql s VAL 331 N 2.87 2.51 0.24 3.82 -7.23 -1.26 -5.09 120.40 116.25 3kql s VAL 331 Ca 0.74 -2.17 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 3kql s VAL 331 Cb -0.38 -2.62 -0.13 0.00 0.56 0.00 0.00 36.38 33.81 3kql s VAL 331 CO 0.32 -0.26 1.50 -2.65 -0.31 0.00 0.00 175.10 173.69 3kql n PRO 332 N -0.80 2.24 -3.83 4.82 -0.02 -1.26 -4.98 135.00 131.17 3kql n PRO 332 Ca -0.05 0.80 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 3kql n PRO 332 Cb 0.62 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.18 3.31 0.40 6.00 2.46 -1.26 -4.99 115.29 121.40 3kql s HIS 333 Ca 0.69 0.17 0.31 0.00 0.47 0.00 0.00 55.06 56.71 3kql s HIS 333 Cb -0.61 -2.15 1.70 0.00 -0.13 0.00 0.00 32.58 31.38 3kql s HIS 333 CO 0.46 0.16 1.94 -1.00 -2.47 0.00 0.00 174.74 173.84 3kql h PRO 334 N 6.92 0.00 -0.05 2.88 0.13 -1.98 -2.19 132.00 137.71 3kql h PRO 334 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3kql h PRO 334 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kql h PRO 334 CO 0.71 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.57 3kql n ASN 335 N -2.71 1.92 -4.12 1.44 5.03 -1.26 -5.00 115.26 110.55 3kql n ASN 335 Ca -0.02 -1.47 -0.28 0.00 0.87 0.00 0.00 54.58 53.67 3kql n ASN 335 Cb 0.19 -0.03 -0.17 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.81 1.59 -0.14 2.41 1.01 -0.83 -0.87 121.20 123.56 3kql s ILE 336 Ca 0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 3kql s ILE 336 Cb 0.08 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3kql s ILE 336 CO 0.12 0.46 0.02 -0.70 0.00 0.00 0.00 174.94 174.84 3kql s GLU 337 N 0.46 3.58 -0.19 2.79 2.12 -0.62 -4.49 118.70 122.34 3kql s GLU 337 Ca -0.16 -0.39 -0.07 0.00 0.36 0.00 0.00 54.97 54.71 3kql s GLU 337 Cb -0.16 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3kql s GLU 337 CO 0.06 0.43 0.06 -1.21 -0.54 0.00 0.00 175.26 174.05 3kql s GLU 338 N -0.09 3.89 -0.12 4.30 2.02 -1.26 -0.62 118.70 126.82 3kql s GLU 338 Ca 0.05 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.65 3kql s GLU 338 Cb -0.12 -3.22 0.03 0.00 0.10 0.00 0.00 34.13 30.92 3kql s GLU 338 CO 0.02 0.18 -0.05 0.08 0.02 0.00 0.00 175.26 175.51 3kql s VAL 339 N 0.62 0.85 0.45 2.63 1.01 -0.02 -4.96 120.40 120.98 3kql s VAL 339 Ca 0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3kql s VAL 339 Cb -0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 3kql s VAL 339 CO 0.02 0.27 1.17 0.00 0.00 0.00 0.00 175.10 176.56 3kql s ALA 340 N 1.77 3.00 0.63 5.51 0.00 -1.26 -3.24 121.76 128.17 3kql s ALA 340 Ca 0.04 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 3kql s ALA 340 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 3kql s ALA 340 CO -0.07 -0.66 1.01 -0.51 0.00 0.00 0.00 175.76 175.53 3kql s LEU 341 N -2.94 3.17 0.00 0.00 1.43 0.01 -4.85 118.68 115.50 3kql s LEU 341 Ca 0.63 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 3kql s LEU 341 Cb -0.29 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 41.77 3kql s LEU 341 CO 0.36 -1.00 0.10 -1.54 0.23 0.00 0.00 176.35 174.50 3kql n SER 342 N -2.76 0.62 0.00 2.29 3.41 -1.26 -4.93 113.62 110.99 3kql n SER 342 Ca 0.05 -2.16 0.10 0.00 -0.26 0.00 0.00 58.87 56.61 3kql n SER 342 Cb 0.55 0.66 0.58 0.00 -0.26 0.00 0.00 64.21 65.74 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 -1.95 0.00 -4.64 4.04 7.64 -1.26 -1.15 113.62 116.30 3kql n SER 343 Ca -0.01 -1.19 -0.37 0.00 1.01 0.00 0.00 58.87 58.31 3kql n SER 343 Cb 0.32 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.00 5.31 0.00 0.44 2.01 -1.26 -4.72 115.64 115.42 3kql s THR 344 Ca 0.29 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3kql s THR 344 Cb 0.13 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3kql s THR 344 CO 0.23 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 3kql n GLY 345 N 4.41 3.77 0.78 4.40 0.00 -1.26 -4.22 105.19 113.07 3kql n GLY 345 Ca -0.13 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.37 2.03 -3.97 1.61 0.00 -1.22 -4.67 120.64 113.05 3kql n GLU 346 Ca 0.00 -1.55 -0.31 0.00 0.00 0.00 0.00 57.16 55.31 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 -1.73 1.70 0.33 3.84 1.01 -1.11 -4.97 121.20 120.28 3kql s ILE 347 Ca 0.34 -1.35 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 3kql s ILE 347 Cb 0.20 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.62 3kql s ILE 347 CO 0.29 -0.10 1.56 -2.84 0.00 0.00 0.00 174.94 173.85 3kql s PRO 348 N 1.31 4.11 -0.24 2.79 0.02 -1.26 -0.07 135.00 141.65 3kql s PRO 348 Ca -0.06 2.59 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 3kql s PRO 348 Cb -0.19 -3.00 0.13 0.00 0.02 0.00 0.00 34.50 31.46 3kql s PRO 348 CO -0.06 -0.61 0.39 0.12 -0.33 0.00 0.00 177.00 176.51 3kql s PHE 349 N -0.44 -0.84 -0.85 6.54 5.36 0.13 -4.83 117.98 123.04 3kql s PHE 349 Ca 0.59 0.90 -0.09 0.00 -0.96 0.00 0.00 56.93 57.38 3kql s PHE 349 Cb -0.48 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 3kql s PHE 349 CO 0.54 -0.71 0.16 0.66 -1.46 0.00 0.00 175.22 174.42 3kql n TYR 350 N 5.37 -0.78 0.00 10.12 4.02 -1.26 0.05 117.16 134.67 3kql n TYR 350 Ca -0.04 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 3kql n TYR 350 Cb 0.50 -1.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.15 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 -1.83 2.81 0.00 2.72 0.00 -1.26 -4.99 105.19 102.64 3kql n GLY 351 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 1.78 -4.11 1.61 4.76 0.11 -4.90 118.16 117.40 3kql n LYS 352 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 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 -2.60 0.64 -0.21 7.82 0.00 -0.30 -0.69 121.76 126.42 3kql s ALA 353 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.68 3kql s ALA 353 Cb 0.00 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.55 3kql s ALA 353 CO 0.00 -0.39 -0.15 0.42 0.00 0.00 0.00 175.76 175.64 3kql s ILE 354 N -3.92 2.24 0.15 0.00 1.01 0.90 -4.30 121.20 117.27 3kql s ILE 354 Ca 0.11 -1.11 -0.31 0.00 0.00 0.00 0.00 60.65 59.34 3kql s ILE 354 Cb 0.08 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 3kql s ILE 354 CO -0.07 0.35 1.41 -2.84 0.00 0.00 0.00 174.94 173.79 3kql s PRO 355 N 1.25 4.31 0.45 2.79 0.02 -1.26 -2.77 135.00 139.79 3kql s PRO 355 Ca 0.01 2.14 0.12 0.00 0.02 0.00 0.00 61.00 63.29 3kql s PRO 355 Cb -0.15 -3.21 1.03 0.00 0.02 0.00 0.00 34.50 32.19 3kql s PRO 355 CO -0.10 -0.43 2.04 0.82 -0.33 0.00 0.00 177.00 179.01 3kql h ILE 356 N 4.04 0.98 -0.58 2.83 2.04 -1.96 -2.42 117.51 122.45 3kql h ILE 356 Ca -0.43 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 65.41 3kql h ILE 356 Cb 1.21 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 3kql h ILE 356 CO 0.85 0.07 0.12 -0.08 0.00 0.00 0.00 178.15 179.11 3kql h GLU 357 N 0.37 0.25 0.00 2.37 4.22 -1.99 0.53 114.58 120.33 3kql h GLU 357 Ca 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.60 3kql h GLU 357 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3kql h GLU 357 CO -0.04 0.17 0.00 0.25 -2.18 0.00 0.00 179.01 177.20 3kql n THR 358 N -5.12 1.64 -0.80 0.32 -2.24 -0.91 -2.99 114.28 104.18 3kql n THR 358 Ca 0.08 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 3kql n THR 358 Cb 0.31 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 -1.58 0.04 -0.27 2.28 -5.35 -0.12 -4.88 119.36 109.49 3kql n ILE 359 Ca 0.01 -0.12 0.08 0.00 -0.27 0.00 0.00 62.75 62.45 3kql n ILE 359 Cb 0.05 1.62 0.21 0.00 -1.74 0.00 0.00 39.64 39.78 3kql n ILE 359 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3kql h LYS 360 N 0.00 0.17 0.00 6.28 1.79 0.08 -3.44 116.57 121.45 3kql h LYS 360 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3kql h LYS 360 Cb 0.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3kql h LYS 360 CO 0.00 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.89 3kql n GLY 361 N -1.39 5.03 7.00 3.86 0.00 -1.26 -4.95 105.19 113.47 3kql n GLY 361 Ca 0.17 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 2.54 -0.74 3.04 -0.02 0.00 -1.26 -4.80 105.19 103.96 3kql n GLY 362 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 2.17 0.05 1.61 0.52 -1.26 -1.32 118.95 120.73 3kql s ARG 363 Ca 0.00 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3kql s ARG 363 Cb 0.00 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.56 3kql s ARG 363 CO 0.00 -0.09 -0.07 -1.01 0.02 0.00 0.00 175.30 174.15 3kql s HIS 364 N 1.08 0.64 -0.14 -0.53 3.76 -0.59 0.99 115.29 120.50 3kql s HIS 364 Ca -0.05 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 3kql s HIS 364 Cb -0.14 -0.39 0.01 0.00 1.11 0.00 0.00 32.58 33.17 3kql s HIS 364 CO -0.03 -0.12 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.37 3kql s LEU 365 N -1.84 2.00 -0.21 0.89 2.96 -0.85 -0.71 118.68 120.94 3kql s LEU 365 Ca -0.07 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3kql s LEU 365 Cb -0.07 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 3kql s LEU 365 CO -0.01 0.04 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.36 3kql s ILE 366 N 0.98 3.16 -0.21 6.68 1.01 0.28 -0.67 121.20 132.42 3kql s ILE 366 Ca -0.04 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 3kql s ILE 366 Cb -0.15 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3kql s ILE 366 CO -0.04 0.45 0.43 -0.36 0.00 0.00 0.00 174.94 175.42 3kql s PHE 367 N 1.33 3.36 0.25 3.97 0.40 0.49 -1.16 117.98 126.62 3kql s PHE 367 Ca 0.04 0.63 0.10 0.00 -0.60 0.00 0.00 56.93 57.10 3kql s PHE 367 Cb -0.14 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 3kql s PHE 367 CO -0.04 -0.06 -0.05 0.00 0.70 0.00 0.00 175.22 175.77 3kql h HIS 369 N 2.14 0.00 -2.44 0.00 2.07 -1.87 -3.39 115.15 111.66 3kql h HIS 369 Ca -0.44 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.55 3kql h HIS 369 Cb 1.24 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.08 3kql h HIS 369 CO 0.69 0.18 -0.65 -1.54 -3.07 0.00 0.00 177.93 173.54 3kql s SER 370 N -5.80 2.99 0.04 3.10 1.04 -1.26 -4.80 113.70 109.00 3kql s SER 370 Ca 0.01 -1.25 -0.18 0.00 0.48 0.00 0.00 55.95 55.02 3kql s SER 370 Cb 0.08 -0.21 -0.22 0.00 0.10 0.00 0.00 66.02 65.77 3kql s SER 370 CO 0.76 -0.39 1.16 0.50 0.98 0.00 0.00 173.24 176.25 3kql h LYS 371 N 2.14 0.53 -0.52 4.02 3.64 -1.99 -3.07 116.57 121.32 3kql h LYS 371 Ca -0.41 -0.52 -0.07 0.00 -1.27 0.00 0.00 60.65 58.38 3kql h LYS 371 Cb 1.24 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 3kql h LYS 371 CO 0.70 1.15 0.03 1.57 -2.27 0.00 0.00 179.45 180.63 3kql h LYS 372 N 0.10 0.86 -0.71 1.90 2.10 -1.99 -2.25 116.57 116.58 3kql h LYS 372 Ca -0.08 -0.23 0.08 0.00 -2.00 0.00 0.00 60.65 58.42 3kql h LYS 372 Cb 1.37 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.53 3kql h LYS 372 CO 0.14 0.85 0.38 -0.22 -2.00 0.00 0.00 179.45 178.60 3kql h LYS 373 N 0.81 0.66 -0.15 0.07 1.63 -1.98 0.78 116.57 118.38 3kql h LYS 373 Ca 0.16 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3kql h LYS 373 Cb 0.45 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3kql h LYS 373 CO 0.02 0.44 0.09 0.00 -3.45 0.00 0.00 179.45 176.55 3kql h ASP 375 N 0.18 0.69 0.60 0.00 3.45 -1.03 0.14 116.42 120.46 3kql h ASP 375 Ca 0.05 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 3kql h ASP 375 Cb 0.01 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 38.61 3kql h ASP 375 CO -0.01 0.58 -0.29 -0.33 -1.57 0.00 0.00 179.24 177.62 3kql h GLU 376 N 0.78 -0.78 0.57 3.56 5.08 -0.37 -2.26 114.58 121.16 3kql h GLU 376 Ca 0.20 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3kql h GLU 376 Cb 0.06 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kql h GLU 376 CO -0.03 -0.47 -0.42 1.25 -1.00 0.00 0.00 179.01 178.35 3kql h LEU 377 N -1.03 -1.09 -0.82 1.33 6.46 -0.95 -0.89 115.31 118.33 3kql h LEU 377 Ca -0.08 0.08 0.19 0.00 -0.12 0.00 0.00 57.88 57.94 3kql h LEU 377 Cb 0.67 0.34 -0.15 0.00 -0.73 0.00 0.00 40.66 40.79 3kql h LEU 377 CO 0.14 -0.62 -0.06 0.00 -0.62 0.00 0.00 178.44 177.28 3kql h ALA 378 N -0.69 0.76 0.28 1.25 0.00 -0.80 0.10 119.26 120.17 3kql h ALA 378 Ca -0.07 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kql h ALA 378 Cb 0.80 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kql h ALA 378 CO 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 179.25 178.70 3kql h ALA 379 N 1.79 -0.37 -0.62 0.00 0.00 -1.07 -1.76 119.26 117.23 3kql h ALA 379 Ca 0.44 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.37 3kql h ALA 379 Cb 0.77 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 3kql h ALA 379 CO -0.77 -0.69 0.15 -0.22 0.00 0.00 0.00 179.25 177.71 3kql h LYS 380 N -0.41 0.27 -0.63 0.00 3.64 0.55 0.25 116.57 120.25 3kql h LYS 380 Ca -0.04 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3kql h LYS 380 Cb 0.31 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3kql h LYS 380 CO 0.06 0.18 0.09 -0.07 -2.27 0.00 0.00 179.45 177.44 3kql h LEU 381 N 0.28 0.98 -1.26 5.20 3.38 -0.91 -2.23 115.31 120.75 3kql h LEU 381 Ca 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3kql h LEU 381 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kql h LEU 381 CO -0.40 0.99 0.06 0.28 0.09 0.00 0.00 178.44 179.46 3kql h SER 382 N 0.96 0.52 0.65 -0.43 0.02 -0.27 -0.13 113.55 114.88 3kql h SER 382 Ca 0.19 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3kql h SER 382 Cb 0.43 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3kql h SER 382 CO 0.01 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 3kql n GLY 383 N -0.98 -1.16 0.97 -3.77 0.00 -0.05 -1.91 105.19 98.29 3kql n GLY 383 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.47 2.95 0.00 0.99 4.32 -0.13 -4.92 117.00 118.74 3kql n LEU 384 Ca 0.06 -1.14 0.00 0.00 -0.02 0.00 0.00 56.01 54.90 3kql n LEU 384 Cb 0.22 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3kql n LEU 384 CO 0.18 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 3kql n GLY 385 N 1.39 0.75 3.90 -0.72 0.00 -0.80 -5.06 105.19 104.64 3kql n GLY 385 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 4.17 -0.97 0.99 1.43 -0.77 -5.01 118.68 118.52 3kql s LEU 386 Ca 0.00 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 3kql s LEU 386 Cb 0.00 -3.41 0.15 0.00 0.03 0.00 0.00 46.19 42.96 3kql s LEU 386 CO 0.00 -0.07 1.16 0.21 0.23 0.00 0.00 176.35 177.88 3kql s ASN 387 N -2.82 6.73 -0.04 2.29 2.47 -1.26 -3.74 114.94 118.56 3kql s ASN 387 Ca 0.42 -2.28 0.02 0.00 0.42 0.00 0.00 52.86 51.44 3kql s ASN 387 Cb -0.11 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.27 3kql s ASN 387 CO 0.27 -0.96 -0.07 0.00 -3.72 0.00 0.00 177.10 172.62 3kql s ALA 388 N 2.26 3.00 -0.01 1.71 0.00 -1.26 -1.48 121.76 125.98 3kql s ALA 388 Ca 0.33 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3kql s ALA 388 Cb -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3kql s ALA 388 CO -0.08 0.59 -0.05 0.14 0.00 0.00 0.00 175.76 176.37 3kql s VAL 389 N -0.88 0.40 0.28 0.00 -7.23 -0.61 -4.85 120.40 107.52 3kql s VAL 389 Ca 0.14 -0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 60.05 3kql s VAL 389 Cb -0.11 -0.37 -0.07 0.00 0.56 0.00 0.00 36.38 36.40 3kql s VAL 389 CO 0.04 0.13 0.60 0.00 -0.31 0.00 0.00 175.10 175.56 3kql s ALA 390 N 0.15 3.53 -0.13 1.32 0.00 -1.26 -0.22 121.76 125.15 3kql s ALA 390 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3kql s ALA 390 Cb -0.05 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.65 3kql s ALA 390 CO -0.00 0.32 0.32 -0.47 0.00 0.00 0.00 175.76 175.93 3kql s TYR 391 N -2.01 -0.40 0.20 0.00 6.14 0.11 -4.85 117.35 116.54 3kql s TYR 391 Ca 0.47 0.94 -0.22 0.00 0.64 0.00 0.00 57.07 58.90 3kql s TYR 391 Cb -0.11 0.13 0.07 0.00 0.42 0.00 0.00 41.96 42.48 3kql s TYR 391 CO 0.25 -0.22 1.00 1.52 0.64 0.00 0.00 175.55 178.74 3kql s TYR 392 N 0.72 0.05 0.01 4.97 1.13 -1.26 -2.59 117.35 120.39 3kql s TYR 392 Ca -0.04 -0.47 -0.38 0.00 -1.41 0.00 0.00 57.07 54.77 3kql s TYR 392 Cb -0.06 0.71 -0.17 0.00 -1.10 0.00 0.00 41.96 41.34 3kql s TYR 392 CO -0.05 -0.98 1.38 -2.13 -2.51 0.00 0.00 175.55 171.27 3kql n ARG 393 N -0.65 1.03 0.00 -3.49 0.00 -1.26 -1.73 116.66 110.56 3kql n ARG 393 Ca -0.04 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 3kql n ARG 393 Cb 0.60 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 31.05 3kql n ARG 393 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kql n GLY 394 N 2.71 2.34 3.79 5.14 0.00 -1.26 -5.06 105.19 112.85 3kql n GLY 394 Ca 0.20 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 4.19 0.23 0.99 1.43 -0.70 -5.01 118.68 119.80 3kql s LEU 395 Ca 0.00 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 3kql s LEU 395 Cb 0.00 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 41.96 3kql s LEU 395 CO 0.00 -0.31 1.17 -0.62 0.23 0.00 0.00 176.35 176.81 3kql s ASP 396 N -1.67 7.14 0.23 2.29 2.15 -1.26 -4.87 116.67 120.67 3kql s ASP 396 Ca 0.55 2.28 0.19 0.00 0.43 0.00 0.00 52.55 56.01 3kql s ASP 396 Cb -0.19 -2.62 0.92 0.00 -0.30 0.00 0.00 42.92 40.73 3kql s ASP 396 CO 0.24 -0.29 1.58 0.52 -0.17 0.00 0.00 175.17 177.05 3kql n VAL 397 N 1.86 1.08 0.43 1.11 0.31 -1.26 -1.71 118.33 120.15 3kql n VAL 397 Ca 0.02 0.50 0.13 0.00 -0.01 0.00 0.00 64.34 64.98 3kql n VAL 397 Cb 0.44 -1.45 0.43 0.00 -0.91 0.00 0.00 33.84 32.36 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 0.40 4.52 0.02 -2.03 -2.99 113.55 113.48 3kql h SER 398 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kql h SER 398 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3kql h SER 398 CO 0.00 0.00 0.00 -0.37 -1.14 0.00 0.00 176.83 175.32 3kql h VAL 399 N 0.00 0.00 -3.09 2.27 -1.51 -1.72 -3.37 116.25 108.83 3kql h VAL 399 Ca 0.00 -0.17 -0.69 0.00 -1.23 0.00 0.00 66.70 64.61 3kql h VAL 399 Cb 0.64 0.97 -0.18 0.00 -2.13 0.00 0.00 31.29 30.58 3kql h VAL 399 CO 0.00 0.00 0.12 -0.63 -1.23 0.00 0.00 177.57 175.83 3kql s ILE 400 N -3.68 4.81 0.08 7.19 1.01 -1.13 -4.97 121.20 124.50 3kql s ILE 400 Ca -0.01 -0.65 -0.34 0.00 0.00 0.00 0.00 60.65 59.65 3kql s ILE 400 Cb 0.09 -4.40 -0.14 0.00 0.01 0.00 0.00 42.46 38.03 3kql s ILE 400 CO 0.38 -0.97 1.64 -0.81 0.00 0.00 0.00 174.94 175.18 3kql n PRO 401 N 6.36 2.06 0.32 2.79 -0.04 -1.26 -4.84 135.00 140.39 3kql n PRO 401 Ca -0.07 0.75 0.21 0.00 -0.04 0.00 0.00 63.50 64.34 3kql n PRO 401 Cb 0.44 -2.52 1.11 0.00 -0.04 0.00 0.00 33.50 32.49 3kql n PRO 401 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kql h THR 402 N 4.12 0.13 -3.69 0.52 1.03 -1.95 -3.44 112.91 109.63 3kql h THR 402 Ca -0.46 -0.06 -0.08 0.00 -0.01 0.00 0.00 66.41 65.80 3kql h THR 402 Cb 1.27 1.05 -0.12 0.00 -1.07 0.00 0.00 68.15 69.27 3kql h THR 402 CO 0.90 0.01 -0.23 -0.55 -0.01 0.00 0.00 175.52 175.63 3kql s SER 403 N -5.43 -0.04 0.00 0.00 0.15 -1.26 -5.04 113.70 102.08 3kql s SER 403 Ca -0.04 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.93 3kql s SER 403 Cb 0.13 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3kql s SER 403 CO 0.45 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.62 3kql n GLY 404 N -0.21 -0.49 3.72 9.45 0.00 -1.26 -4.96 105.19 111.43 3kql n GLY 404 Ca -0.11 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 3kql n GLY 404 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kql n ASP 405 N -1.30 2.42 0.00 1.61 9.92 -1.26 -4.76 116.55 123.17 3kql n ASP 405 Ca 0.00 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 3kql n ASP 405 Cb 0.00 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.94 3kql n ASP 405 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3kql n VAL 406 N -0.93 0.00 -3.87 2.53 3.14 -0.43 -4.93 118.33 113.84 3kql n VAL 406 Ca 0.10 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.18 3kql n VAL 406 Cb 0.44 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.06 3kql n VAL 406 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3kql s ILE 407 N -2.00 1.32 -0.27 1.55 1.01 -0.55 -1.54 121.20 120.72 3kql s ILE 407 Ca 0.00 -1.33 -0.20 0.00 0.00 0.00 0.00 60.65 59.12 3kql s ILE 407 Cb 0.00 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3kql s ILE 407 CO 0.00 -0.34 0.60 -0.69 0.00 0.00 0.00 174.94 174.52 3kql s VAL 408 N 1.45 4.99 -0.43 2.92 1.01 0.11 -1.57 120.40 128.89 3kql s VAL 408 Ca 0.01 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 3kql s VAL 408 Cb -0.18 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3kql s VAL 408 CO -0.12 0.00 0.32 -0.69 0.00 0.00 0.00 175.10 174.61 3kql s VAL 409 N 2.49 5.18 0.31 2.92 1.01 0.70 -0.56 120.40 132.44 3kql s VAL 409 Ca 0.25 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3kql s VAL 409 Cb -0.15 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3kql s VAL 409 CO 0.09 -0.39 0.11 0.00 0.00 0.00 0.00 175.10 174.91 3kql s ALA 410 N 1.65 2.10 0.00 5.51 0.00 -0.31 0.04 121.76 130.75 3kql s ALA 410 Ca 0.04 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3kql s ALA 410 Cb -0.21 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.85 3kql s ALA 410 CO 0.09 -0.42 0.00 0.25 0.00 0.00 0.00 175.76 175.68 3kql n THR 411 N -0.61 0.00 0.74 0.00 -2.24 -1.07 -1.48 114.28 109.62 3kql n THR 411 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3kql n THR 411 Cb 0.66 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.45 0.25 -0.01 3.42 8.00 -1.26 -2.20 116.55 122.29 3kql n ASP 412 Ca 0.00 -0.99 0.14 0.00 0.71 0.00 0.00 54.79 54.65 3kql n ASP 412 Cb 0.00 -0.13 0.61 0.00 -0.02 0.00 0.00 41.12 41.58 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 -0.12 2.54 -1.53 2.24 0.00 -1.26 -3.16 120.51 119.22 3kql n ALA 413 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.35 3kql n ALA 413 Cb 0.06 -1.42 0.11 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.41 1.75 0.08 0.00 7.94 -0.94 -4.63 117.00 119.80 3kql n LEU 414 Ca 0.09 -2.67 -0.09 0.00 -1.11 0.00 0.00 56.01 52.23 3kql n LEU 414 Cb 0.31 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.94 3kql n LEU 414 CO 0.27 0.73 0.23 -0.03 -1.11 0.00 0.00 177.39 177.48 3kql h MET 415 N 0.30 0.21 -5.22 1.96 1.85 -1.71 -3.44 114.93 108.88 3kql h MET 415 Ca -0.02 -0.23 -0.39 0.00 -0.61 0.00 0.00 59.70 58.45 3kql h MET 415 Cb 1.18 0.07 -0.14 0.00 0.43 0.00 0.00 31.60 33.14 3kql h MET 415 CO 0.01 0.97 -0.69 0.95 -0.40 0.00 0.00 176.91 177.75 3kql s THR 416 N -3.18 1.28 0.00 -0.77 -4.23 -1.26 -3.80 115.64 103.67 3kql s THR 416 Ca -0.03 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3kql s THR 416 Cb 0.10 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.81 3kql s THR 416 CO 0.83 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 3kql n GLY 417 N -0.35 0.00 3.82 3.99 0.00 -1.26 -4.69 105.19 106.70 3kql n GLY 417 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.70 3.69 -0.35 1.61 5.36 -1.26 -4.73 117.98 121.59 3kql s PHE 418 Ca 0.00 1.22 0.01 0.00 -0.96 0.00 0.00 56.93 57.20 3kql s PHE 418 Cb 0.00 -2.48 0.11 0.00 -0.34 0.00 0.00 43.02 40.31 3kql s PHE 418 CO 0.00 0.47 0.12 0.99 -1.46 0.00 0.00 175.22 175.33 3kql s THR 419 N -1.35 1.44 -1.93 0.12 2.01 -1.26 -4.81 115.64 109.86 3kql s THR 419 Ca 0.36 -1.95 0.22 0.00 0.31 0.00 0.00 61.69 60.63 3kql s THR 419 Cb -0.17 -2.06 0.61 0.00 0.01 0.00 0.00 72.50 70.89 3kql s THR 419 CO 0.20 -0.70 1.51 0.61 -0.69 0.00 0.00 174.62 175.55 3kql n GLY 420 N 4.38 2.46 3.32 4.40 0.00 -1.26 -4.97 105.19 113.53 3kql n GLY 420 Ca 0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 1.56 -6.05 -4.79 1.61 4.64 -1.26 -4.97 116.55 107.29 3kql n ASP 421 Ca 0.23 -0.74 -0.37 0.00 -1.38 0.00 0.00 54.79 52.53 3kql n ASP 421 Cb 0.61 -4.97 -0.07 0.00 -1.04 0.00 0.00 41.12 35.66 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 -3.40 3.55 -0.11 -0.67 0.08 -1.26 -4.77 117.98 111.40 3kql s PHE 422 Ca 0.42 0.63 0.21 0.00 0.12 0.00 0.00 56.93 58.32 3kql s PHE 422 Cb -0.07 -2.21 0.52 0.00 -0.57 0.00 0.00 43.02 40.69 3kql s PHE 422 CO 0.76 0.45 1.66 -0.44 -0.10 0.00 0.00 175.22 177.54 3kql h ASP 423 N 5.84 0.00 -5.02 1.36 3.32 0.27 -3.38 116.42 118.82 3kql h ASP 423 Ca -0.47 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.61 3kql h ASP 423 Cb 1.19 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 3kql h ASP 423 CO 0.68 0.25 0.19 -0.94 -1.72 0.00 0.00 179.24 177.70 3kql s SER 424 N -6.25 -0.34 -0.03 6.45 1.04 -1.21 -2.32 113.70 111.04 3kql s SER 424 Ca 0.03 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3kql s SER 424 Cb 0.08 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.90 3kql s SER 424 CO 0.67 -1.20 0.02 -0.69 0.98 0.00 0.00 173.24 173.03 3kql s VAL 425 N -3.87 0.06 -0.19 5.02 1.01 0.75 -2.00 120.40 121.18 3kql s VAL 425 Ca 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3kql s VAL 425 Cb -0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 3kql s VAL 425 CO 0.00 0.12 -0.09 -0.63 0.00 0.00 0.00 175.10 174.51 3kql s ILE 426 N 1.12 3.09 -0.13 2.22 1.01 0.15 -0.19 121.20 128.47 3kql s ILE 426 Ca -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3kql s ILE 426 Cb -0.13 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3kql s ILE 426 CO -0.02 0.46 -0.09 -0.62 0.00 0.00 0.00 174.94 174.67 3kql s ASP 427 N 1.21 4.38 0.13 3.58 -1.08 -0.37 -0.38 116.67 124.15 3kql s ASP 427 Ca 0.02 -0.22 0.27 0.00 -0.52 0.00 0.00 52.55 52.10 3kql s ASP 427 Cb -0.14 -1.63 0.87 0.00 -1.46 0.00 0.00 42.92 40.56 3kql s ASP 427 CO -0.03 0.19 1.75 0.00 0.52 0.00 0.00 175.17 177.60 3kql n ASN 429 N -1.98 -5.49 -4.18 0.00 5.03 -1.26 -4.78 115.26 102.60 3kql n ASN 429 Ca 0.06 0.12 -0.28 0.00 0.87 0.00 0.00 54.58 55.35 3kql n ASN 429 Cb 0.40 -4.58 -0.16 0.00 -1.02 0.00 0.00 39.78 34.42 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 -2.89 1.62 0.35 3.41 2.01 -1.26 -1.67 115.64 117.20 3kql s THR 430 Ca 0.00 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.23 3kql s THR 430 Cb 0.00 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 71.07 3kql s THR 430 CO 0.00 0.46 -0.02 0.00 -0.69 0.00 0.00 174.62 174.37 3kql s VAL 432 N -2.86 2.87 0.28 0.00 1.01 -1.26 -0.86 120.40 119.58 3kql s VAL 432 Ca 0.33 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3kql s VAL 432 Cb 0.06 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3kql s VAL 432 CO 0.16 0.07 0.26 -0.89 0.00 0.00 0.00 175.10 174.70 3kql s THR 433 N 1.29 4.22 -0.04 3.92 2.01 0.34 -4.96 115.64 122.41 3kql s THR 433 Ca -0.02 -1.33 -0.00 0.00 0.31 0.00 0.00 61.69 60.64 3kql s THR 433 Cb -0.18 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 68.98 3kql s THR 433 CO -0.03 -0.28 0.02 -1.58 -0.69 0.00 0.00 174.62 172.05 3kql s GLN 434 N -3.92 0.22 0.14 4.92 0.74 -1.26 -0.84 119.66 119.65 3kql s GLN 434 Ca 0.36 0.16 0.05 0.00 0.05 0.00 0.00 55.36 55.98 3kql s GLN 434 Cb -0.07 -0.52 -0.04 0.00 1.10 0.00 0.00 33.01 33.47 3kql s GLN 434 CO 0.26 -0.20 -0.12 0.95 -0.55 0.00 0.00 175.29 175.63 3kql s THR 435 N 1.39 1.25 -0.09 -0.34 -4.23 -0.14 -4.81 115.64 108.68 3kql s THR 435 Ca -0.05 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 3kql s THR 435 Cb -0.13 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3kql s THR 435 CO -0.03 -0.59 0.02 0.54 -0.54 0.00 0.00 174.62 174.02 3kql s VAL 436 N -2.75 4.45 -0.16 2.29 0.11 -1.26 -1.10 120.40 121.98 3kql s VAL 436 Ca 0.13 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3kql s VAL 436 Cb -0.01 -2.88 0.04 0.00 -1.53 0.00 0.00 36.38 31.99 3kql s VAL 436 CO 0.02 0.60 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.68 3kql s ASP 437 N -0.93 2.83 -1.33 3.54 2.15 0.24 -4.88 116.67 118.30 3kql s ASP 437 Ca 0.14 -0.63 -0.16 0.00 0.43 0.00 0.00 52.55 52.33 3kql s ASP 437 Cb -0.11 -1.03 0.08 0.00 -0.30 0.00 0.00 42.92 41.55 3kql s ASP 437 CO 0.03 -0.14 1.84 0.49 -0.17 0.00 0.00 175.17 177.22 3kql n PHE 438 N 4.82 4.34 1.61 -5.34 3.72 -1.26 -0.15 117.46 125.19 3kql n PHE 438 Ca -0.14 -2.93 0.14 0.00 -0.05 0.00 0.00 57.45 54.48 3kql n PHE 438 Cb 0.48 -2.54 0.64 0.00 -0.94 0.00 0.00 39.48 37.12 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 7.33 0.96 -4.41 4.37 3.41 -1.10 -4.94 113.62 119.24 3kql n SER 439 Ca 0.48 -1.23 -0.39 0.00 -0.26 0.00 0.00 58.87 57.47 3kql n SER 439 Cb 0.43 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.15 -3.17 1.04 4.77 0.25 -4.82 117.00 113.61 3kql n LEU 440 Ca 0.20 -1.18 -0.21 0.00 -0.03 0.00 0.00 56.01 54.78 3kql n LEU 440 Cb 0.28 -1.76 -0.04 0.00 -2.33 0.00 0.00 43.42 39.56 3kql n LEU 440 CO 0.18 0.21 -0.18 -0.90 -1.33 0.00 0.00 177.39 175.38 3kql n ASP 441 N -2.59 1.36 0.09 -1.43 5.75 -1.26 -4.41 116.55 114.06 3kql n ASP 441 Ca 0.04 -3.05 0.12 0.00 -0.01 0.00 0.00 54.79 51.89 3kql n ASP 441 Cb 0.50 -0.62 0.17 0.00 -1.03 0.00 0.00 41.12 40.14 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 3.33 0.00 0.00 0.11 0.13 -1.89 -3.48 132.00 130.20 3kql h PRO 442 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kql h PRO 442 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3kql h PRO 442 CO 0.56 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.58 3kql n THR 443 N -2.33 0.00 -4.24 1.56 -2.24 -1.26 -4.85 114.28 100.92 3kql n THR 443 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3kql n THR 443 Cb 0.47 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.17 1.22 -0.02 4.78 -0.12 -1.26 0.88 117.98 123.62 3kql s PHE 444 Ca 0.00 -1.05 0.02 0.00 -0.05 0.00 0.00 56.93 55.84 3kql s PHE 444 Cb 0.00 -0.70 0.01 0.00 -0.63 0.00 0.00 43.02 41.70 3kql s PHE 444 CO 0.00 -0.25 -0.06 0.99 -0.05 0.00 0.00 175.22 175.86 3kql s THR 445 N -3.70 0.53 -0.35 -4.49 2.01 0.78 -1.06 115.64 109.36 3kql s THR 445 Ca 0.25 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3kql s THR 445 Cb 0.06 -0.50 0.05 0.00 0.01 0.00 0.00 72.50 72.12 3kql s THR 445 CO 0.05 0.19 0.13 -0.63 -0.69 0.00 0.00 174.62 173.66 3kql s ILE 446 N 0.36 3.79 -0.13 1.82 1.01 -0.60 0.81 121.20 128.25 3kql s ILE 446 Ca -0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.34 3kql s ILE 446 Cb -0.09 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3kql s ILE 446 CO -0.00 -0.26 -0.03 -1.83 0.00 0.00 0.00 174.94 172.82 3kql s GLU 447 N 1.38 3.47 -0.30 2.79 -1.05 -0.26 -4.74 118.70 120.00 3kql s GLU 447 Ca -0.00 -0.50 -0.07 0.00 -0.15 0.00 0.00 54.97 54.25 3kql s GLU 447 Cb -0.20 -2.87 0.02 0.00 -0.44 0.00 0.00 34.13 30.63 3kql s GLU 447 CO 0.02 0.37 0.08 -0.08 0.95 0.00 0.00 175.26 176.60 3kql s THR 448 N 0.02 3.89 0.08 1.83 -1.32 -1.26 -0.96 115.64 117.92 3kql s THR 448 Ca 0.01 -0.79 0.06 0.00 -1.21 0.00 0.00 61.69 59.76 3kql s THR 448 Cb -0.13 -3.04 -0.03 0.00 -1.51 0.00 0.00 72.50 67.78 3kql s THR 448 CO 0.03 0.04 -0.16 0.42 -2.21 0.00 0.00 174.62 172.73 3kql s THR 449 N 1.48 1.31 -0.17 5.08 -4.23 -0.02 -4.96 115.64 114.12 3kql s THR 449 Ca 0.02 -1.34 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 3kql s THR 449 Cb -0.18 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 3kql s THR 449 CO 0.02 -0.14 0.94 0.28 -0.54 0.00 0.00 174.62 175.18 3kql s THR 450 N -1.18 4.80 0.11 3.99 -1.32 -1.26 -0.51 115.64 120.27 3kql s THR 450 Ca 0.01 1.86 0.03 0.00 -1.21 0.00 0.00 61.69 62.37 3kql s THR 450 Cb -0.10 -4.23 -0.04 0.00 -1.51 0.00 0.00 72.50 66.62 3kql s THR 450 CO 0.03 -0.04 -0.08 0.54 -2.21 0.00 0.00 174.62 172.86 3kql s VAL 451 N 2.39 0.86 0.46 5.08 0.11 -0.04 -4.94 120.40 124.32 3kql s VAL 451 Ca 0.43 -1.94 -0.25 0.00 -2.93 0.00 0.00 61.98 57.28 3kql s VAL 451 Cb -0.17 -1.70 -0.08 0.00 -1.53 0.00 0.00 36.38 32.91 3kql s VAL 451 CO 0.12 -0.81 1.41 -2.16 -3.33 0.00 0.00 175.10 170.33 3kql s PRO 452 N -3.71 3.64 0.84 1.54 0.04 -1.26 -0.41 135.00 135.68 3kql s PRO 452 Ca 0.13 2.37 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 3kql s PRO 452 Cb 0.04 -2.61 0.10 0.00 0.04 0.00 0.00 34.50 32.07 3kql s PRO 452 CO -0.03 -0.84 1.16 1.14 0.04 0.00 0.00 177.00 178.47 3kql s GLN 453 N -2.49 1.51 0.04 4.56 -2.07 -0.67 -4.63 119.66 115.90 3kql s GLN 453 Ca 0.62 1.56 0.01 0.00 -1.82 0.00 0.00 55.36 55.72 3kql s GLN 453 Cb -0.43 -1.78 0.01 0.00 -1.09 0.00 0.00 33.01 29.72 3kql s GLN 453 CO 0.54 -2.27 0.05 -0.40 -1.32 0.00 0.00 175.29 171.90 3kql n ASP 454 N -3.71 0.16 -0.14 12.60 5.75 -1.26 -2.66 116.55 127.28 3kql n ASP 454 Ca 0.12 -1.10 -0.12 0.00 -0.01 0.00 0.00 54.79 53.69 3kql n ASP 454 Cb 0.52 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.48 0.58 -0.13 2.12 0.00 -0.61 -2.67 119.26 119.04 3kql h ALA 455 Ca -0.02 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3kql h ALA 455 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3kql h ALA 455 CO 0.02 0.54 -0.14 0.28 0.00 0.00 0.00 179.25 179.95 3kql h VAL 456 N 0.68 0.62 -0.52 0.00 2.07 -1.86 -2.09 116.25 115.15 3kql h VAL 456 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3kql h VAL 456 Cb 0.75 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3kql h VAL 456 CO 0.06 0.00 0.26 -1.28 0.02 0.00 0.00 177.57 176.63 3kql h SER 457 N -0.17 0.67 -0.11 0.57 0.87 -1.95 -1.49 113.55 111.94 3kql h SER 457 Ca 0.09 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3kql h SER 457 Cb 0.30 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kql h SER 457 CO -0.23 0.60 0.07 -0.09 -0.53 0.00 0.00 176.83 176.65 3kql h ARG 458 N 0.69 0.14 -0.39 2.24 2.43 -1.20 0.03 114.38 118.33 3kql h ARG 458 Ca 0.18 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3kql h ARG 458 Cb 0.09 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3kql h ARG 458 CO -0.02 0.10 0.01 0.77 -1.51 0.00 0.00 179.97 179.31 3kql h SER 459 N 0.15 0.67 -0.38 -3.80 0.02 -1.34 -1.19 113.55 107.68 3kql h SER 459 Ca 0.04 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 3kql h SER 459 Cb -0.02 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3kql h SER 459 CO -0.01 0.81 0.03 1.56 -1.14 0.00 0.00 176.83 178.08 3kql h GLN 460 N 0.52 0.65 -0.03 3.45 1.08 -1.15 0.17 115.11 119.80 3kql h GLN 460 Ca 0.11 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3kql h GLN 460 Cb 0.46 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3kql h GLN 460 CO 0.02 0.73 0.00 0.00 -0.95 0.00 0.00 178.83 178.63 3kql h ARG 461 N 0.48 0.06 -0.64 1.46 3.08 -1.01 -2.65 114.38 115.16 3kql h ARG 461 Ca 0.11 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.24 3kql h ARG 461 Cb 0.42 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 3kql h ARG 461 CO 0.01 0.32 0.26 -0.09 -1.07 0.00 0.00 179.97 179.40 3kql h ARG 462 N -0.21 0.43 0.00 0.04 2.43 -1.18 -0.47 114.38 115.42 3kql h ARG 462 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kql h ARG 462 Cb 0.29 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3kql h ARG 462 CO 0.00 0.29 0.02 0.41 -1.51 0.00 0.00 179.97 179.18 3kql n GLY 463 N -1.30 -0.27 0.11 2.80 0.00 0.60 -1.91 105.19 105.21 3kql n GLY 463 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.26 0.20 -4.32 1.61 5.12 -0.18 -4.67 116.66 113.15 3kql n ARG 464 Ca 0.00 0.32 -0.30 0.00 -1.93 0.00 0.00 57.85 55.94 3kql n ARG 464 Cb 0.02 -1.81 -0.03 0.00 -1.16 0.00 0.00 32.46 29.48 3kql n ARG 464 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3kql n THR 465 N -2.16 0.00 -3.82 0.55 5.66 -0.80 -4.47 114.28 109.23 3kql n THR 465 Ca 0.04 -2.34 -0.26 0.00 -3.05 0.00 0.00 64.05 58.43 3kql n THR 465 Cb 0.30 0.24 0.03 0.00 -1.55 0.00 0.00 70.33 69.35 3kql n THR 465 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kql n GLY 466 N -1.49 -0.39 3.21 1.09 0.00 -1.26 -4.92 105.19 101.44 3kql n GLY 466 Ca -0.12 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -6.33 2.95 0.00 1.61 0.52 -1.26 -4.41 118.95 112.03 3kql s ARG 467 Ca 0.33 -2.31 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 3kql s ARG 467 Cb -0.16 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.25 3kql s ARG 467 CO 0.82 -1.23 0.00 0.41 0.02 0.00 0.00 175.30 175.33 3kql n GLY 468 N 4.04 1.25 3.83 -3.53 0.00 -1.26 -4.99 105.19 104.53 3kql n GLY 468 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.41 1.83 0.65 1.61 1.70 -1.26 -5.15 118.95 117.92 3kql s ARG 469 Ca 0.00 -1.09 -0.18 0.00 -0.47 0.00 0.00 55.73 54.00 3kql s ARG 469 Cb 0.00 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.94 3kql s ARG 469 CO 0.00 -0.85 1.27 -1.64 -1.08 0.00 0.00 175.30 173.01 3kql s MET 470 N -3.16 2.55 0.21 3.89 -1.94 -1.26 -3.98 119.30 115.62 3kql s MET 470 Ca 0.13 1.99 -0.15 0.00 -1.71 0.00 0.00 55.69 55.96 3kql s MET 470 Cb -0.05 -1.85 0.01 0.00 2.01 0.00 0.00 34.83 34.95 3kql s MET 470 CO 0.08 -1.58 0.49 0.20 -0.01 0.00 0.00 175.02 174.20 3kql s GLY 471 N -1.50 0.19 -0.06 -0.03 0.00 -0.05 -4.37 107.32 101.50 3kql s GLY 471 Ca 0.81 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 45.02 3kql s GLY 471 CO 0.39 -0.45 -0.15 -0.42 0.00 0.00 0.00 173.10 172.48 3kql s ILE 472 N -3.94 1.28 -0.27 0.90 1.01 -0.98 -1.59 121.20 117.62 3kql s ILE 472 Ca 0.15 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 3kql s ILE 472 Cb -0.01 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.36 3kql s ILE 472 CO 0.02 0.38 -0.03 -0.47 0.00 0.00 0.00 174.94 174.84 3kql s TYR 473 N 0.39 3.14 -0.12 3.97 5.04 0.20 -0.18 117.35 129.79 3kql s TYR 473 Ca -0.10 -1.61 -0.04 0.00 -2.44 0.00 0.00 57.07 52.88 3kql s TYR 473 Cb -0.14 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.05 3kql s TYR 473 CO 0.03 -0.74 0.02 1.03 -1.34 0.00 0.00 175.55 174.55 3kql s ARG 474 N 1.31 3.36 0.24 4.97 0.52 0.73 -0.84 118.95 129.25 3kql s ARG 474 Ca -0.01 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 3kql s ARG 474 Cb -0.18 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3kql s ARG 474 CO -0.03 0.54 0.02 -0.59 0.02 0.00 0.00 175.30 175.27 3kql s PHE 475 N -0.43 1.56 -0.15 -0.53 -0.71 -1.20 -1.23 117.98 115.29 3kql s PHE 475 Ca 0.08 -0.99 0.10 0.00 -1.04 0.00 0.00 56.93 55.09 3kql s PHE 475 Cb -0.12 -0.92 -0.23 0.00 -1.21 0.00 0.00 43.02 40.54 3kql s PHE 475 CO 0.02 -0.11 0.23 0.28 -1.34 0.00 0.00 175.22 174.29 3kql n VAL 476 N -0.43 1.53 -4.02 -2.49 0.31 -1.20 -0.81 118.33 111.21 3kql n VAL 476 Ca -0.04 -0.76 -0.12 0.00 -0.01 0.00 0.00 64.34 63.41 3kql n VAL 476 Cb 0.65 -0.98 -0.12 0.00 -0.91 0.00 0.00 33.84 32.47 3kql n VAL 476 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3kql s THR 477 N -2.54 0.29 0.03 2.52 -1.32 -1.26 -4.87 115.64 108.50 3kql s THR 477 Ca -0.15 -0.67 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 3kql s THR 477 Cb 0.07 -0.35 -0.23 0.00 -1.51 0.00 0.00 72.50 70.48 3kql s THR 477 CO 0.78 -0.25 0.95 1.55 -2.21 0.00 0.00 174.62 175.44 3kql h PRO 478 N 5.13 0.06 -7.29 7.08 0.13 -2.02 -3.48 132.00 131.60 3kql h PRO 478 Ca -0.31 -0.10 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 3kql h PRO 478 Cb 1.20 0.04 0.17 0.00 0.13 0.00 0.00 31.00 32.54 3kql h PRO 478 CO 0.44 0.84 0.19 0.20 -0.23 0.00 0.00 178.00 179.44 3kql s GLY 479 N -4.92 1.60 -0.22 1.56 0.00 -1.26 -5.08 107.32 99.00 3kql s GLY 479 Ca -0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.44 3kql s GLY 479 CO 0.83 0.49 0.57 -1.83 0.00 0.00 0.00 173.10 173.16 3kql s GLU 480 N -4.82 0.65 0.55 2.90 -1.05 -1.26 -4.99 118.70 110.69 3kql s GLU 480 Ca 0.65 0.84 -0.10 0.00 -0.15 0.00 0.00 54.97 56.21 3kql s GLU 480 Cb -0.20 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 3kql s GLU 480 CO 0.59 -0.09 0.94 1.03 0.95 0.00 0.00 175.26 178.67 3kql s ARG 481 N 0.53 3.64 1.20 -4.83 0.52 -1.09 -4.77 118.95 114.15 3kql s ARG 481 Ca -0.02 0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 55.67 3kql s ARG 481 Cb -0.04 -2.19 0.30 0.00 0.52 0.00 0.00 34.95 33.54 3kql s ARG 481 CO -0.02 -0.39 1.01 -2.14 0.02 0.00 0.00 175.30 173.78 3kql s PRO 482 N -4.82 -1.21 0.23 3.54 0.02 -1.26 -0.01 135.00 131.49 3kql s PRO 482 Ca 0.53 0.84 -0.05 0.00 0.02 0.00 0.00 61.00 62.34 3kql s PRO 482 Cb -0.11 -1.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.87 3kql s PRO 482 CO 0.47 -3.92 0.29 -1.12 -0.33 0.00 0.00 177.00 172.39 3kql s SER 483 N -2.41 0.19 0.00 2.53 0.01 -1.26 -4.26 113.70 108.50 3kql s SER 483 Ca 0.69 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3kql s SER 483 Cb -0.26 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.46 3kql s SER 483 CO 0.66 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.92 3kql n GLY 484 N -0.35 0.83 3.02 3.44 0.00 -1.26 -2.81 105.19 108.05 3kql n GLY 484 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.33 0.38 0.04 1.61 -1.94 -1.26 -2.07 119.30 115.73 3kql s MET 485 Ca 0.00 -0.65 0.03 0.00 -1.71 0.00 0.00 55.69 53.36 3kql s MET 485 Cb 0.00 0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.96 3kql s MET 485 CO 0.00 -0.07 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.26 3kql s PHE 486 N -1.75 0.73 0.89 -0.03 -0.12 -0.91 -4.96 117.98 111.84 3kql s PHE 486 Ca -0.13 -0.48 -0.10 0.00 -0.05 0.00 0.00 56.93 56.17 3kql s PHE 486 Cb -0.07 -0.43 0.13 0.00 -0.63 0.00 0.00 43.02 42.02 3kql s PHE 486 CO -0.02 -0.06 1.14 0.34 -0.05 0.00 0.00 175.22 176.57 3kql s ASP 487 N -1.54 3.13 0.51 1.98 2.15 -1.26 -4.56 116.67 117.07 3kql s ASP 487 Ca -0.09 2.15 0.29 0.00 0.43 0.00 0.00 52.55 55.34 3kql s ASP 487 Cb -0.10 -2.56 1.16 0.00 -0.30 0.00 0.00 42.92 41.12 3kql s ASP 487 CO 0.01 -2.97 1.91 -1.28 -0.17 0.00 0.00 175.17 172.67 3kql h SER 488 N -1.77 0.00 0.05 -0.34 0.87 -1.92 -2.99 113.55 107.45 3kql h SER 488 Ca -0.43 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 3kql h SER 488 Cb 1.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3kql h SER 488 CO 0.43 0.09 -0.05 0.77 -0.53 0.00 0.00 176.83 177.53 3kql h SER 489 N 0.00 0.00 -0.73 6.23 4.64 -1.89 -1.46 113.55 120.33 3kql h SER 489 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3kql h SER 489 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 3kql h SER 489 CO 0.01 0.05 0.31 0.58 -0.87 0.00 0.00 176.83 176.91 3kql h VAL 490 N 0.00 1.25 -0.62 0.95 2.07 -1.85 0.25 116.25 118.30 3kql h VAL 490 Ca -0.00 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3kql h VAL 490 Cb 0.09 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3kql h VAL 490 CO 0.01 0.31 0.03 -0.07 0.02 0.00 0.00 177.57 177.87 3kql h LEU 491 N 1.08 1.03 -0.84 2.57 3.38 -1.45 -1.99 115.31 119.10 3kql h LEU 491 Ca 0.25 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kql h LEU 491 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kql h LEU 491 CO -0.02 1.07 0.55 0.00 0.09 0.00 0.00 178.44 180.12 3kql h GLU 493 N 1.10 0.00 -0.18 0.00 4.81 -0.53 -2.07 114.58 117.72 3kql h GLU 493 Ca 0.32 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3kql h GLU 493 Cb -0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3kql h GLU 493 CO -0.08 0.33 -0.06 0.00 -0.73 0.00 0.00 179.01 178.47 3kql h TYR 495 N 0.06 1.18 -0.41 0.00 0.05 -1.38 0.20 116.97 116.68 3kql h TYR 495 Ca 0.04 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 3kql h TYR 495 Cb 0.52 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3kql h TYR 495 CO 0.06 0.94 0.17 0.22 -1.05 0.00 0.00 178.16 178.50 3kql h ASP 496 N 1.08 0.55 -0.60 3.88 1.82 -1.24 -1.42 116.42 120.49 3kql h ASP 496 Ca 0.23 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 3kql h ASP 496 Cb 0.33 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.17 3kql h ASP 496 CO -0.00 0.55 0.18 0.00 -1.61 0.00 0.00 179.24 178.36 3kql h ALA 497 N 1.02 1.12 -0.51 -0.78 0.00 -0.34 -0.02 119.26 119.76 3kql h ALA 497 Ca 0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kql h ALA 497 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kql h ALA 497 CO -0.01 0.60 0.08 0.78 0.00 0.00 0.00 179.25 180.70 3kql h GLY 498 N 1.04 0.85 0.22 0.00 0.00 -0.21 0.21 103.07 105.18 3kql h GLY 498 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3kql h GLY 498 CO -0.01 0.48 -0.06 0.00 0.00 0.00 0.00 176.54 176.95 3kql h ALA 500 N 0.17 0.35 0.00 0.00 0.00 -0.99 -3.38 119.26 115.41 3kql h ALA 500 Ca -0.01 -0.82 -0.27 0.00 0.00 0.00 0.00 54.91 53.81 3kql h ALA 500 Cb 0.89 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3kql h ALA 500 CO 0.01 1.03 -1.92 0.91 0.00 0.00 0.00 179.25 179.28 3kql n TRP 501 N -3.53 0.00 -0.58 0.00 7.02 0.71 -4.79 117.44 116.27 3kql n TRP 501 Ca -0.04 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.54 3kql n TRP 501 Cb 0.91 -0.60 0.36 0.00 -2.42 0.00 0.00 31.31 29.56 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 -3.50 1.43 -3.91 -5.99 4.01 -1.00 -4.96 117.16 103.24 3kql n TYR 502 Ca -0.31 -0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 56.56 3kql n TYR 502 Cb 0.75 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.27 -4.49 -4.68 -0.72 -0.58 -0.82 -4.97 120.64 105.67 3kql n GLU 503 Ca 0.26 0.52 -0.33 0.00 -0.42 0.00 0.00 57.16 57.19 3kql n GLU 503 Cb 0.86 -5.12 -0.13 0.00 -0.57 0.00 0.00 31.44 26.48 3kql n GLU 503 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kql s LEU 504 N -7.04 2.98 0.56 -4.62 1.43 0.16 -5.01 118.68 107.14 3kql s LEU 504 Ca 0.34 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 3kql s LEU 504 Cb -0.18 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3kql s LEU 504 CO 0.85 0.28 1.02 0.42 0.23 0.00 0.00 176.35 179.15 3kql s THR 505 N -0.30 4.21 0.39 5.49 -4.23 -1.26 -3.71 115.64 116.23 3kql s THR 505 Ca 0.04 1.02 0.12 0.00 -1.18 0.00 0.00 61.69 61.69 3kql s THR 505 Cb -0.13 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.48 3kql s THR 505 CO 0.03 -0.64 1.90 -0.65 -0.54 0.00 0.00 174.62 174.72 3kql h PRO 506 N 0.57 0.54 -0.36 3.99 0.11 -1.92 -0.94 132.00 133.98 3kql h PRO 506 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3kql h PRO 506 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kql h PRO 506 CO 0.60 0.35 -0.19 0.00 -0.21 0.00 0.00 178.00 178.55 3kql h ALA 507 N 1.62 0.51 -0.48 -0.75 0.00 -1.91 -2.03 119.26 116.23 3kql h ALA 507 Ca 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kql h ALA 507 Cb 0.74 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3kql h ALA 507 CO -0.15 0.45 0.26 1.49 0.00 0.00 0.00 179.25 181.31 3kql h GLU 508 N 0.55 0.66 0.00 0.00 4.57 -1.59 -1.60 114.58 117.18 3kql h GLU 508 Ca 0.08 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3kql h GLU 508 Cb 0.73 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3kql h GLU 508 CO 0.06 0.51 -0.23 1.79 -1.18 0.00 0.00 179.01 179.96 3kql h THR 509 N 0.63 1.08 -0.35 0.32 1.35 -1.17 -1.85 112.91 112.92 3kql h THR 509 Ca 0.17 -0.81 -0.10 0.00 -0.55 0.00 0.00 66.41 65.12 3kql h THR 509 Cb 0.04 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 3kql h THR 509 CO -0.03 0.23 -0.19 0.28 -0.25 0.00 0.00 175.52 175.56 3kql h SER 510 N 0.00 0.65 -0.81 5.36 0.02 -0.55 -1.16 113.55 117.06 3kql h SER 510 Ca -0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3kql h SER 510 Cb 0.43 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3kql h SER 510 CO 0.03 0.85 0.35 0.58 -1.14 0.00 0.00 176.83 177.49 3kql h VAL 511 N 0.58 1.26 -0.21 2.27 2.07 -0.57 -0.85 116.25 120.80 3kql h VAL 511 Ca 0.09 -0.79 -0.18 0.00 0.82 0.00 0.00 66.70 66.64 3kql h VAL 511 Cb 0.65 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3kql h VAL 511 CO 0.05 0.33 -0.57 0.03 0.02 0.00 0.00 177.57 177.42 3kql h ARG 512 N 1.17 0.77 -0.31 1.57 3.08 -1.20 -2.89 114.38 116.56 3kql h ARG 512 Ca 0.27 -0.54 -0.11 0.00 0.07 0.00 0.00 59.98 59.68 3kql h ARG 512 Cb 0.18 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kql h ARG 512 CO -0.03 1.16 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.71 3kql h LEU 513 N 0.50 0.62 -0.65 3.04 3.38 -1.08 -2.45 115.31 118.66 3kql h LEU 513 Ca -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kql h LEU 513 Cb 1.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3kql h LEU 513 CO 0.12 0.86 0.36 -0.09 0.09 0.00 0.00 178.44 179.78 3kql h ARG 514 N 0.53 0.91 -0.79 1.13 9.65 -1.17 -0.49 114.38 124.16 3kql h ARG 514 Ca 0.07 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3kql h ARG 514 Cb 0.72 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 3kql h ARG 514 CO 0.06 0.69 0.45 0.00 2.80 0.00 0.00 179.97 183.96 3kql h ALA 515 N 1.17 1.31 -0.15 2.80 0.00 -1.26 0.95 119.26 124.09 3kql h ALA 515 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kql h ALA 515 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kql h ALA 515 CO -0.04 0.57 0.01 -0.92 0.00 0.00 0.00 179.25 178.88 3kql h TYR 516 N 1.09 0.28 -0.26 0.00 5.03 -0.88 -3.00 116.97 119.23 3kql h TYR 516 Ca 0.28 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 3kql h TYR 516 Cb -0.01 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 3kql h TYR 516 CO 0.01 0.45 -0.08 -0.07 -1.32 0.00 0.00 178.16 177.15 3kql h LEU 517 N 0.02 0.39 0.00 2.82 -0.00 -0.68 -2.24 115.31 115.61 3kql h LEU 517 Ca 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3kql h LEU 517 Cb 0.34 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 3kql h LEU 517 CO 0.01 0.52 0.00 0.59 -0.00 0.00 0.00 178.44 179.55 3kql n ASN 518 N -4.26 0.00 -4.26 -0.43 3.02 0.29 -4.68 115.26 104.95 3kql n ASN 518 Ca 0.00 -1.49 -0.36 0.00 -0.03 0.00 0.00 54.58 52.70 3kql n ASN 518 Cb 0.27 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.31 3kql n ASN 518 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kql s THR 519 N -2.00 3.44 0.84 3.41 2.01 -0.84 -5.06 115.64 117.44 3kql s THR 519 Ca 0.09 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 3kql s THR 519 Cb 0.04 -2.83 0.10 0.00 0.01 0.00 0.00 72.50 69.82 3kql s THR 519 CO 0.07 0.04 1.19 -2.84 -0.69 0.00 0.00 174.62 172.39 3kql s PRO 520 N 1.39 1.43 0.00 4.92 0.02 -1.26 -3.58 135.00 137.92 3kql s PRO 520 Ca -0.00 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.71 3kql s PRO 520 Cb -0.18 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3kql s PRO 520 CO -0.00 -2.35 0.00 0.41 -0.33 0.00 0.00 177.00 174.73 3kql n GLY 521 N 0.41 0.94 3.81 0.52 0.00 -1.26 -5.04 105.19 104.57 3kql n GLY 521 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 3.63 0.37 0.99 1.43 -1.23 -4.59 118.68 119.28 3kql s LEU 522 Ca 0.00 -0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 3kql s LEU 522 Cb 0.00 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.91 3kql s LEU 522 CO 0.00 -0.18 1.34 -2.65 0.23 0.00 0.00 176.35 175.09 3kql n PRO 523 N -1.23 2.24 -3.59 1.29 -0.02 -1.26 -4.94 135.00 127.49 3kql n PRO 523 Ca -0.05 0.79 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 3kql n PRO 523 Cb 0.59 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.13 3.05 0.17 -1.45 -7.23 -0.88 -4.96 120.40 107.97 3kql s VAL 524 Ca 0.56 -1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 59.18 3kql s VAL 524 Cb -0.53 -3.08 0.06 0.00 0.56 0.00 0.00 36.38 33.40 3kql s VAL 524 CO 0.62 -0.07 0.95 0.00 -0.31 0.00 0.00 175.10 176.29 3kql s GLN 526 N -3.27 4.15 -1.13 0.00 2.00 -1.26 -4.88 119.66 115.27 3kql s GLN 526 Ca 0.13 2.53 -0.22 0.00 -2.00 0.00 0.00 55.36 55.80 3kql s GLN 526 Cb -0.02 -3.06 0.01 0.00 0.80 0.00 0.00 33.01 30.75 3kql s GLN 526 CO 0.03 -0.63 1.73 0.34 -0.50 0.00 0.00 175.29 176.26 3kql s ASP 527 N 0.67 6.09 -0.18 6.67 3.68 -1.26 -4.66 116.67 127.69 3kql s ASP 527 Ca 0.66 -1.69 0.17 0.00 2.13 0.00 0.00 52.55 53.81 3kql s ASP 527 Cb -0.47 -2.58 0.49 0.00 -1.45 0.00 0.00 42.92 38.91 3kql s ASP 527 CO 0.43 -1.92 1.38 1.41 0.13 0.00 0.00 175.17 176.60 3kql n HIS 528 N 10.67 0.79 -0.22 -5.34 8.25 -1.26 -4.76 115.22 123.35 3kql n HIS 528 Ca 0.42 -0.96 0.01 0.00 -0.26 0.00 0.00 57.72 56.94 3kql n HIS 528 Cb 0.48 -0.30 0.13 0.00 1.12 0.00 0.00 29.99 31.42 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 1.42 0.26 -0.58 2.41 3.38 -2.00 -1.84 115.31 118.35 3kql h LEU 529 Ca 0.02 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3kql h LEU 529 Cb 1.38 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 3kql h LEU 529 CO 0.20 0.14 -0.25 -0.08 0.09 0.00 0.00 178.44 178.54 3kql h GLU 530 N 0.44 0.86 -0.08 1.13 4.57 -1.99 -1.13 114.58 118.37 3kql h GLU 530 Ca 0.34 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3kql h GLU 530 Cb 0.44 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3kql h GLU 530 CO -0.33 1.01 0.04 0.35 -1.18 0.00 0.00 179.01 178.90 3kql h PHE 531 N 0.74 0.07 -0.30 0.92 3.57 -1.72 -1.67 116.94 118.54 3kql h PHE 531 Ca 0.09 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 3kql h PHE 531 Cb 0.80 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3kql h PHE 531 CO 0.05 0.04 -0.37 -1.49 -2.23 0.00 0.00 178.31 174.30 3kql h TRP 532 N 0.08 0.82 -0.38 0.41 4.06 -1.29 -2.36 115.95 117.29 3kql h TRP 532 Ca 0.03 -0.23 0.01 0.00 2.06 0.00 0.00 58.89 60.76 3kql h TRP 532 Cb 0.01 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 3kql h TRP 532 CO -0.09 0.96 0.24 1.49 -3.56 0.00 0.00 178.44 177.49 3kql h GLU 533 N 0.57 0.48 -0.77 0.49 4.81 -1.08 -1.94 114.58 117.14 3kql h GLU 533 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3kql h GLU 533 Cb 0.90 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3kql h GLU 533 CO 0.08 0.32 0.30 0.66 -0.73 0.00 0.00 179.01 179.63 3kql h SER 534 N 0.50 1.07 0.11 1.04 4.64 -1.16 0.04 113.55 119.79 3kql h SER 534 Ca 0.14 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3kql h SER 534 Cb -0.04 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.78 3kql h SER 534 CO -0.04 0.95 -0.05 0.58 -0.87 0.00 0.00 176.83 177.40 3kql h VAL 535 N 1.12 0.90 0.00 0.95 2.07 -1.06 -2.83 116.25 117.41 3kql h VAL 535 Ca 0.26 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.65 3kql h VAL 535 Cb 0.23 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3kql h VAL 535 CO -0.02 0.01 -0.40 -0.26 0.02 0.00 0.00 177.57 176.92 3kql h PHE 536 N -0.17 0.00 0.00 1.57 -1.00 -1.24 -2.55 116.94 113.55 3kql h PHE 536 Ca -0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3kql h PHE 536 Cb 0.13 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3kql h PHE 536 CO -0.06 0.40 -0.09 1.15 -1.61 0.00 0.00 178.31 178.09 3kql h THR 537 N 0.00 0.79 0.00 -1.55 2.02 -0.75 -2.26 112.91 111.16 3kql h THR 537 Ca -0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3kql h THR 537 Cb 0.84 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3kql h THR 537 CO 0.05 0.09 -0.39 1.23 0.37 0.00 0.00 175.52 176.88 3kql h GLY 538 N 0.42 0.00 -7.69 2.16 0.00 -1.24 -3.40 103.07 93.32 3kql h GLY 538 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 3kql h GLY 538 CO 0.01 0.00 1.88 1.04 0.00 0.00 0.00 176.54 179.47 3kql n LEU 539 N -2.50 5.18 -4.92 3.11 4.77 -0.85 -4.97 117.00 116.82 3kql n LEU 539 Ca 0.03 -4.18 -0.21 0.00 -0.03 0.00 0.00 56.01 51.63 3kql n LEU 539 Cb 0.48 -1.68 -0.02 0.00 -2.33 0.00 0.00 43.42 39.86 3kql n LEU 539 CO 0.35 0.47 -0.05 0.42 -1.33 0.00 0.00 177.39 177.25 3kql s THR 540 N 2.93 4.41 -1.35 -5.08 -4.23 -1.26 -4.67 115.64 106.39 3kql s THR 540 Ca 0.49 -1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 59.78 3kql s THR 540 Cb 0.02 -3.50 0.02 0.00 1.34 0.00 0.00 72.50 70.38 3kql s THR 540 CO 0.04 -0.26 0.93 1.41 -0.54 0.00 0.00 174.62 176.20 3kql n HIS 541 N -1.41 -2.26 -1.66 3.99 8.25 -1.26 -4.97 115.22 115.90 3kql n HIS 541 Ca -0.05 0.91 -0.34 0.00 -0.26 0.00 0.00 57.72 57.98 3kql n HIS 541 Cb 0.58 -4.57 0.06 0.00 1.12 0.00 0.00 29.99 27.18 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 -3.45 2.73 -0.37 1.59 2.07 -1.26 -4.94 121.20 117.57 3kql s ILE 542 Ca 0.27 0.37 -0.28 0.00 -1.41 0.00 0.00 60.65 59.60 3kql s ILE 542 Cb -0.13 -2.94 0.02 0.00 0.13 0.00 0.00 42.46 39.54 3kql s ILE 542 CO 0.78 -0.18 1.04 -0.62 -1.91 0.00 0.00 174.94 174.05 3kql s ASP 543 N -2.16 6.79 0.20 4.50 2.15 -1.26 -4.93 116.67 121.95 3kql s ASP 543 Ca 0.72 0.78 -0.11 0.00 0.43 0.00 0.00 52.55 54.37 3kql s ASP 543 Cb -0.26 -2.52 0.22 0.00 -0.30 0.00 0.00 42.92 40.06 3kql s ASP 543 CO 0.41 -0.95 1.75 0.00 -0.17 0.00 0.00 175.17 176.21 3kql h ALA 544 N 8.45 0.70 -0.94 3.66 0.00 -1.98 -2.03 119.26 127.11 3kql h ALA 544 Ca -0.22 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kql h ALA 544 Cb 1.07 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3kql h ALA 544 CO 1.04 -0.20 0.59 1.25 0.00 0.00 0.00 179.25 181.93 3kql h HIS 545 N 0.39 1.10 -0.37 0.00 6.17 -1.99 -0.70 115.15 119.74 3kql h HIS 545 Ca 0.27 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.26 3kql h HIS 545 Cb 0.31 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 3kql h HIS 545 CO -0.16 0.55 -0.26 0.74 0.71 0.00 0.00 177.93 179.50 3kql h PHE 546 N 1.07 0.87 -0.23 5.26 0.05 -1.79 -2.92 116.94 119.25 3kql h PHE 546 Ca 0.41 -0.21 -0.03 0.00 3.82 0.00 0.00 57.97 61.96 3kql h PHE 546 Cb 0.20 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 3kql h PHE 546 CO -0.02 0.94 0.02 1.25 -0.18 0.00 0.00 178.31 180.32 3kql h LEU 547 N 0.66 0.38 -2.30 1.54 6.46 -0.59 -1.23 115.31 120.23 3kql h LEU 547 Ca 0.08 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3kql h LEU 547 Cb 0.78 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 3kql h LEU 547 CO 0.06 0.58 0.00 0.77 -0.62 0.00 0.00 178.44 179.23 3kql h SER 548 N 0.18 0.00 0.44 1.25 4.64 -1.17 -0.39 113.55 118.50 3kql h SER 548 Ca 0.07 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.08 3kql h SER 548 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 3kql h SER 548 CO 0.01 0.00 -1.70 1.56 -0.87 0.00 0.00 176.83 175.83 3kql h GLN 549 N 0.00 0.08 -0.03 4.77 4.20 -1.25 -3.10 115.11 119.78 3kql h GLN 549 Ca 0.00 -0.14 -0.23 0.00 0.06 0.00 0.00 58.65 58.34 3kql h GLN 549 Cb 0.18 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.02 3kql h GLN 549 CO 0.00 0.75 -0.91 1.79 -0.67 0.00 0.00 178.83 179.79 3kql h THR 550 N 0.02 1.35 -0.46 -0.54 1.35 -0.40 -2.11 112.91 112.13 3kql h THR 550 Ca -0.29 -2.29 -0.05 0.00 -0.55 0.00 0.00 66.41 63.23 3kql h THR 550 Cb 2.00 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 70.70 3kql h THR 550 CO 0.09 0.69 0.08 0.11 -0.25 0.00 0.00 175.52 176.25 3kql h LYS 551 N 0.32 0.76 -0.70 4.72 1.57 -1.25 -2.29 116.57 119.70 3kql h LYS 551 Ca -0.08 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3kql h LYS 551 Cb 1.54 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.72 3kql h LYS 551 CO 0.17 0.78 0.46 0.37 -0.57 0.00 0.00 179.45 180.65 3kql h GLN 552 N 0.63 0.91 0.00 3.15 4.15 -1.54 0.81 115.11 123.22 3kql h GLN 552 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3kql h GLN 552 Cb 0.38 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3kql h GLN 552 CO 0.01 0.60 0.00 0.00 -1.93 0.00 0.00 178.83 177.51 3kql n ALA 553 N -2.30 1.38 -3.18 3.38 0.00 -0.79 -4.87 120.51 114.13 3kql n ALA 553 Ca 0.07 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 3kql n ALA 553 Cb 0.03 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.24 3kql n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kql n GLY 554 N -0.60 -0.03 3.74 0.00 0.00 0.28 -5.01 105.19 103.57 3kql n GLY 554 Ca 0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.29 3.69 0.03 1.61 1.01 -1.10 -4.98 116.67 113.64 3kql s ASP 555 Ca 0.34 1.41 -0.17 0.00 0.71 0.00 0.00 52.55 54.84 3kql s ASP 555 Cb -0.15 -2.10 -0.23 0.00 1.01 0.00 0.00 42.92 41.44 3kql s ASP 555 CO 0.48 -2.49 1.14 0.78 0.21 0.00 0.00 175.17 175.28 3kql h ASN 556 N -1.45 0.68 -2.20 0.27 2.35 -1.95 -3.37 115.58 109.93 3kql h ASN 556 Ca -0.49 -0.75 -0.59 0.00 -0.55 0.00 0.00 56.30 53.92 3kql h ASN 556 Cb 1.28 -0.21 -0.41 0.00 0.05 0.00 0.00 38.32 39.03 3kql h ASN 556 CO 0.56 1.34 -0.69 0.49 -1.65 0.00 0.00 177.43 177.48 3kql n PHE 557 N -4.08 2.86 -0.21 1.19 3.01 -1.26 -4.94 117.46 114.03 3kql n PHE 557 Ca -0.11 -4.05 0.01 0.00 1.01 0.00 0.00 57.45 54.32 3kql n PHE 557 Cb 0.75 -0.52 0.12 0.00 -0.01 0.00 0.00 39.48 39.83 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 4.21 0.36 0.44 -1.08 0.13 -1.88 -0.92 132.00 133.25 3kql h PRO 558 Ca 0.17 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3kql h PRO 558 Cb 0.71 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3kql h PRO 558 CO 0.76 0.24 -0.21 -0.92 -0.23 0.00 0.00 178.00 177.64 3kql h TYR 559 N 0.37 -0.55 -0.62 1.56 3.20 -1.93 0.20 116.97 119.21 3kql h TYR 559 Ca 0.33 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.24 3kql h TYR 559 Cb 0.46 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3kql h TYR 559 CO -0.19 -0.34 0.35 -0.07 -1.64 0.00 0.00 178.16 176.27 3kql h LEU 560 N -0.59 0.53 0.17 2.82 3.38 -1.86 0.21 115.31 119.97 3kql h LEU 560 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kql h LEU 560 Cb 0.45 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kql h LEU 560 CO 0.10 0.35 -0.08 0.58 0.09 0.00 0.00 178.44 179.48 3kql h VAL 561 N 0.66 0.84 -0.43 1.22 2.07 -1.01 -0.75 116.25 118.85 3kql h VAL 561 Ca 0.27 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 3kql h VAL 561 Cb 0.14 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3kql h VAL 561 CO -0.16 0.01 0.27 0.00 0.02 0.00 0.00 177.57 177.71 3kql h ALA 562 N 0.58 1.65 -0.13 1.67 0.00 -0.10 -1.70 119.26 121.22 3kql h ALA 562 Ca -0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3kql h ALA 562 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kql h ALA 562 CO 0.04 0.31 -0.46 -0.92 0.00 0.00 0.00 179.25 178.22 3kql h TYR 563 N 0.59 0.71 -1.00 0.00 3.20 -0.30 -0.05 116.97 120.13 3kql h TYR 563 Ca 0.16 -0.29 0.10 0.00 3.14 0.00 0.00 58.73 61.83 3kql h TYR 563 Cb -0.03 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.04 3kql h TYR 563 CO 0.00 1.06 0.64 0.37 -1.64 0.00 0.00 178.16 178.59 3kql h GLN 564 N 0.16 1.03 -0.27 1.82 5.75 -0.73 0.47 115.11 123.33 3kql h GLN 564 Ca -0.02 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.28 3kql h GLN 564 Cb 1.09 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3kql h GLN 564 CO 0.10 0.68 -0.38 0.00 -2.65 0.00 0.00 178.83 176.58 3kql h ALA 565 N 1.51 0.83 -0.55 3.38 0.00 -1.14 -2.00 119.26 121.28 3kql h ALA 565 Ca 0.47 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kql h ALA 565 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kql h ALA 565 CO -0.23 0.64 0.16 1.15 0.00 0.00 0.00 179.25 180.97 3kql h THR 566 N 0.52 1.24 -0.63 0.00 2.02 0.82 0.64 112.91 117.52 3kql h THR 566 Ca 0.05 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 3kql h THR 566 Cb 0.88 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3kql h THR 566 CO 0.08 0.31 0.07 0.58 0.37 0.00 0.00 175.52 176.92 3kql h VAL 567 N 0.77 1.26 0.03 3.16 2.07 -0.81 -1.33 116.25 121.40 3kql h VAL 567 Ca 0.18 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3kql h VAL 567 Cb 0.30 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kql h VAL 567 CO -0.00 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 177.97 3kql h ALA 569 N 0.66 1.25 -0.03 0.00 0.00 -0.79 -0.09 119.26 120.25 3kql h ALA 569 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kql h ALA 569 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kql h ALA 569 CO 0.01 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.12 3kql n ARG 570 N -4.59 1.09 0.00 0.00 1.74 -0.51 -2.55 116.66 111.84 3kql n ARG 570 Ca 0.13 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kql n ARG 570 Cb 0.18 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3kql n ARG 570 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kql n ALA 571 N -0.44 1.78 -2.22 7.54 0.00 -0.16 -4.98 120.51 122.03 3kql n ALA 571 Ca 0.04 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 3kql n ALA 571 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 3kql n ALA 571 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kql n GLN 572 N -0.05 -1.63 -4.28 0.00 -0.06 -0.52 -4.93 117.38 105.91 3kql n GLN 572 Ca 0.00 1.07 -0.26 0.00 -2.00 0.00 0.00 57.00 55.80 3kql n GLN 572 Cb 0.11 -5.67 -0.09 0.00 -4.06 0.00 0.00 30.24 20.53 3kql n GLN 572 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kql s ALA 573 N -2.98 3.02 0.62 1.69 0.00 -0.52 -0.41 121.76 123.17 3kql s ALA 573 Ca 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 3kql s ALA 573 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3kql s ALA 573 CO 0.00 0.45 1.03 -1.25 0.00 0.00 0.00 175.76 175.99 3kql s PRO 574 N -2.94 3.55 1.11 0.00 0.04 -1.26 -4.24 135.00 131.25 3kql s PRO 574 Ca 0.26 0.79 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 3kql s PRO 574 Cb -0.09 -2.07 0.25 0.00 0.04 0.00 0.00 34.50 32.63 3kql s PRO 574 CO 0.16 -0.61 1.15 -1.25 0.04 0.00 0.00 177.00 176.49 3kql s PRO 575 N -5.07 -0.51 0.26 0.56 0.04 -1.26 -4.37 135.00 124.64 3kql s PRO 575 Ca 0.56 -0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 3kql s PRO 575 Cb -0.11 -1.68 0.48 0.00 0.04 0.00 0.00 34.50 33.23 3kql s PRO 575 CO 0.52 -3.25 1.82 -1.35 0.04 0.00 0.00 177.00 174.79 3kql h PRO 576 N -2.25 0.87 0.00 0.56 0.11 -1.95 -3.44 132.00 125.91 3kql h PRO 576 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kql h PRO 576 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kql h PRO 576 CO 0.40 0.58 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 3kql n SER 577 N -4.68 0.00 -0.64 -2.05 3.41 -1.26 -1.27 113.62 107.12 3kql n SER 577 Ca 0.16 -0.21 0.05 0.00 -0.26 0.00 0.00 58.87 58.62 3kql n SER 577 Cb 0.32 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.00 -1.61 7.33 7.02 -1.26 -4.84 117.44 124.08 3kql n TRP 578 Ca 0.00 -0.80 -0.30 0.00 -1.02 0.00 0.00 57.50 55.38 3kql n TRP 578 Cb 0.00 -0.16 0.22 0.00 -2.42 0.00 0.00 31.31 28.96 3kql n TRP 578 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 3kql s ASP 579 N -2.36 2.01 0.32 -0.99 1.47 -1.26 -4.85 116.67 111.00 3kql s ASP 579 Ca 0.27 0.31 0.09 0.00 1.18 0.00 0.00 52.55 54.40 3kql s ASP 579 Cb 0.27 -0.35 0.89 0.00 -0.34 0.00 0.00 42.92 43.39 3kql s ASP 579 CO -0.05 -3.42 1.71 1.56 0.68 0.00 0.00 175.17 175.65 3kql h GLN 580 N -2.11 0.48 -1.12 2.11 4.20 -2.01 -1.52 115.11 115.14 3kql h GLN 580 Ca -0.44 -0.03 0.33 0.00 0.06 0.00 0.00 58.65 58.57 3kql h GLN 580 Cb 1.24 -0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.80 3kql h GLN 580 CO 0.32 0.32 0.70 1.98 -0.67 0.00 0.00 178.83 181.48 3kql h MET 581 N 0.50 0.28 -0.49 1.46 4.05 -1.99 0.04 114.93 118.79 3kql h MET 581 Ca 0.65 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.89 3kql h MET 581 Cb 1.28 -0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 31.92 3kql h MET 581 CO -0.51 0.19 0.11 0.91 0.23 0.00 0.00 176.91 177.83 3kql n TRP 582 N -4.74 1.60 0.21 1.39 7.02 -0.57 -4.66 117.44 117.68 3kql n TRP 582 Ca 0.30 -1.27 0.16 0.00 -1.02 0.00 0.00 57.50 55.67 3kql n TRP 582 Cb 1.07 -0.53 0.81 0.00 -2.42 0.00 0.00 31.31 30.24 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 1.75 0.00 0.00 -0.99 2.10 -1.04 -1.11 116.57 117.27 3kql h LYS 583 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 3kql h LYS 583 Cb 1.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 3kql h LYS 583 CO 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.94 3kql n LEU 585 N -1.66 0.00 -0.32 0.00 4.77 -0.43 -4.68 117.00 114.69 3kql n LEU 585 Ca 0.01 -0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.22 3kql n LEU 585 Cb 0.07 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.62 3kql n LEU 585 CO 0.06 0.00 1.01 0.40 -1.33 0.00 0.00 177.39 177.53 3kql h ILE 586 N 0.00 0.12 -0.71 -0.08 2.04 -1.43 0.17 117.51 117.64 3kql h ILE 586 Ca 0.00 -0.04 -0.48 0.00 1.00 0.00 0.00 64.86 65.34 3kql h ILE 586 Cb 0.43 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.39 3kql h ILE 586 CO 0.00 0.02 0.92 0.54 0.00 0.00 0.00 178.15 179.64 3kql n ARG 587 N -5.25 2.85 0.00 2.37 1.74 -1.26 -3.42 116.66 113.70 3kql n ARG 587 Ca 0.31 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 3kql n ARG 587 Cb 1.03 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3kql n ARG 587 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kql n LEU 588 N 1.72 0.00 -0.29 0.55 4.77 0.05 -4.97 117.00 118.83 3kql n LEU 588 Ca 0.53 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 3kql n LEU 588 Cb 0.55 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.90 3kql n LEU 588 CO 0.40 0.18 0.94 0.11 -1.33 0.00 0.00 177.39 177.70 3kql h LYS 589 N 0.00 0.23 0.00 3.23 1.57 -1.65 0.04 116.57 119.99 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 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kql h LYS 589 CO 0.00 0.15 0.39 -2.30 -0.57 0.00 0.00 179.45 177.12 3kql n PRO 590 N -5.20 0.05 0.00 3.15 -0.02 -1.26 -0.11 135.00 131.60 3kql n PRO 590 Ca 0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kql n PRO 590 Cb 0.62 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3kql n PRO 590 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kql n THR 591 N -1.72 0.00 -3.26 3.45 -2.24 -0.02 -5.00 114.28 105.48 3kql n THR 591 Ca -0.00 -0.43 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 3kql n THR 591 Cb 0.40 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.92 4.18 0.15 3.22 1.43 0.84 -4.67 118.68 121.90 3kql s LEU 592 Ca 0.00 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3kql s LEU 592 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3kql s LEU 592 CO 0.00 -0.36 0.13 -1.00 0.23 0.00 0.00 176.35 175.36 3kql s HIS 593 N 2.31 0.74 0.00 0.29 3.76 0.45 -4.60 115.29 118.23 3kql s HIS 593 Ca 0.19 -1.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.00 3kql s HIS 593 Cb -0.16 -0.35 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3kql s HIS 593 CO 0.11 -0.59 0.00 0.41 -0.85 0.00 0.00 174.74 173.82 3kql n GLY 594 N -0.14 -1.95 3.82 -2.22 0.00 -1.26 -3.99 105.19 99.45 3kql n GLY 594 Ca -0.05 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 3.23 -0.12 1.61 0.02 -1.26 -4.49 135.00 133.99 3kql s PRO 595 Ca 0.00 1.02 -0.19 0.00 0.02 0.00 0.00 61.00 61.85 3kql s PRO 595 Cb 0.00 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3kql s PRO 595 CO 0.00 -0.87 0.50 0.99 -0.33 0.00 0.00 177.00 177.29 3kql s THR 596 N -2.82 5.17 -1.22 0.99 2.01 0.22 -4.56 115.64 115.44 3kql s THR 596 Ca 0.60 0.99 -0.19 0.00 0.31 0.00 0.00 61.69 63.39 3kql s THR 596 Cb -0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3kql s THR 596 CO 0.47 0.31 1.91 -2.65 -0.69 0.00 0.00 174.62 173.97 3kql n PRO 597 N 3.74 2.42 -1.71 4.92 -0.02 -1.26 -1.41 135.00 141.68 3kql n PRO 597 Ca -0.06 -2.71 -0.42 0.00 -2.02 0.00 0.00 63.50 58.28 3kql n PRO 597 Cb 0.52 -3.44 -0.03 0.00 -0.02 0.00 0.00 33.50 30.52 3kql n PRO 597 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kql s LEU 598 N 5.36 4.39 -0.16 2.45 2.96 -1.06 -4.87 118.68 127.75 3kql s LEU 598 Ca 0.57 2.59 0.15 0.00 -0.22 0.00 0.00 54.13 57.23 3kql s LEU 598 Cb 0.06 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.98 3kql s LEU 598 CO 0.07 -1.07 0.22 0.18 -1.32 0.00 0.00 176.35 174.44 3kql n LEU 599 N 7.63 0.43 -3.85 -0.68 4.77 -1.26 -4.74 117.00 119.29 3kql n LEU 599 Ca 0.20 0.11 0.01 0.00 -0.03 0.00 0.00 56.01 56.30 3kql n LEU 599 Cb 0.41 0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 3kql n LEU 599 CO 0.67 0.50 1.00 -0.72 -1.33 0.00 0.00 177.39 177.51 3kql s TYR 600 N -2.52 0.01 -0.34 -1.77 -0.85 -1.26 -4.55 117.35 106.07 3kql s TYR 600 Ca -0.10 -0.20 -0.04 0.00 -0.52 0.00 0.00 57.07 56.21 3kql s TYR 600 Cb 0.07 0.59 0.06 0.00 0.38 0.00 0.00 41.96 43.06 3kql s TYR 600 CO 0.82 -0.46 0.08 1.03 -1.52 0.00 0.00 175.55 175.50 3kql s ARG 601 N -2.24 2.41 -0.04 -3.49 0.52 -0.22 -4.89 118.95 111.00 3kql s ARG 601 Ca 0.23 -1.35 0.20 0.00 -0.52 0.00 0.00 55.73 54.28 3kql s ARG 601 Cb 0.00 -3.36 -0.24 0.00 0.52 0.00 0.00 34.95 31.88 3kql s ARG 601 CO 0.00 -0.73 0.49 1.28 0.02 0.00 0.00 175.30 176.36 3kql n LEU 602 N 4.68 0.27 0.00 2.53 4.77 -1.26 -1.56 117.00 126.43 3kql n LEU 602 Ca -0.11 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3kql n LEU 602 Cb 0.43 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3kql n LEU 602 CO 0.30 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3kql n GLY 603 N 1.42 3.67 3.76 -0.72 0.00 -1.26 -4.84 105.19 107.21 3kql n GLY 603 Ca -0.13 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.23 3.33 -0.27 4.61 0.00 -1.26 -5.04 121.76 121.90 3kql s ALA 604 Ca 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 3kql s ALA 604 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3kql s ALA 604 CO 0.00 0.12 0.10 0.08 0.00 0.00 0.00 175.76 176.06 3kql s VAL 605 N -1.23 4.38 -0.09 0.00 1.01 -1.26 -4.37 120.40 118.84 3kql s VAL 605 Ca 0.43 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3kql s VAL 605 Cb -0.26 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 3kql s VAL 605 CO 0.33 0.24 0.14 0.00 0.00 0.00 0.00 175.10 175.80 3kql n GLN 606 N 4.94 2.48 -2.55 2.72 6.02 -0.40 -5.01 117.38 125.58 3kql n GLN 606 Ca -0.15 -0.02 -0.24 0.00 -0.01 0.00 0.00 57.00 56.58 3kql n GLN 606 Cb 0.50 -0.94 0.11 0.00 1.02 0.00 0.00 30.24 30.94 3kql n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3kql s ASN 607 N -2.05 4.32 0.55 1.08 3.04 -0.67 -5.03 114.94 116.19 3kql s ASN 607 Ca -0.00 -0.32 -0.18 0.00 0.04 0.00 0.00 52.86 52.40 3kql s ASN 607 Cb 0.03 -0.07 -0.05 0.00 -1.54 0.00 0.00 41.25 39.62 3kql s ASN 607 CO 0.19 -1.88 1.07 -1.61 -3.04 0.00 0.00 177.10 171.83 3kql s GLU 608 N -5.17 3.43 0.06 0.43 2.02 -1.26 -4.92 118.70 113.29 3kql s GLU 608 Ca 0.66 1.37 0.06 0.00 0.02 0.00 0.00 54.97 57.09 3kql s GLU 608 Cb -0.05 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 3kql s GLU 608 CO 0.45 -0.74 -0.18 0.08 0.02 0.00 0.00 175.26 174.89 3kql s VAL 609 N -2.12 1.43 -0.02 2.63 1.01 -1.26 -0.61 120.40 121.46 3kql s VAL 609 Ca 0.67 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3kql s VAL 609 Cb -0.18 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3kql s VAL 609 CO 0.29 0.03 -0.15 -0.89 0.00 0.00 0.00 175.10 174.39 3kql s THR 610 N -0.95 1.20 -0.13 3.92 2.01 -0.50 -4.80 115.64 116.39 3kql s THR 610 Ca 0.04 -0.63 0.18 0.00 0.31 0.00 0.00 61.69 61.59 3kql s THR 610 Cb -0.09 -1.01 0.29 0.00 0.01 0.00 0.00 72.50 71.71 3kql s THR 610 CO 0.02 0.34 1.15 0.35 -0.69 0.00 0.00 174.62 175.80 3kql n THR 611 N 2.83 1.85 1.11 -0.82 -2.24 -1.26 -2.55 114.28 113.20 3kql n THR 611 Ca -0.15 -2.28 0.12 0.00 -2.27 0.00 0.00 64.05 59.47 3kql n THR 611 Cb 0.54 -0.21 0.16 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.36 0.00 -1.99 4.28 -2.24 -1.26 -4.58 114.28 107.13 3kql n THR 612 Ca 0.16 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 3kql n THR 612 Cb 0.65 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.45 2.80 0.27 4.78 5.04 -1.26 -4.86 115.29 119.60 3kql s HIS 613 Ca 0.22 1.35 -0.01 0.00 -1.54 0.00 0.00 55.06 55.07 3kql s HIS 613 Cb 0.19 -3.77 0.58 0.00 0.04 0.00 0.00 32.58 29.61 3kql s HIS 613 CO 0.53 -2.31 1.71 -1.35 -2.34 0.00 0.00 174.74 170.99 3kql h PRO 614 N 2.91 0.40 -0.30 2.88 0.11 -1.99 -1.70 132.00 134.31 3kql h PRO 614 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kql h PRO 614 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kql h PRO 614 CO 0.64 0.27 0.18 0.82 -0.21 0.00 0.00 178.00 179.70 3kql h ILE 615 N 0.42 1.11 -0.73 4.15 1.08 -1.97 0.14 117.51 121.70 3kql h ILE 615 Ca 0.48 -0.25 0.04 0.00 -0.39 0.00 0.00 64.86 64.74 3kql h ILE 615 Cb 0.82 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 3kql h ILE 615 CO -0.47 0.10 0.45 0.74 -0.69 0.00 0.00 178.15 178.28 3kql h THR 616 N 0.39 1.05 -0.29 -0.27 2.02 -1.63 -1.29 112.91 112.90 3kql h THR 616 Ca 0.11 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3kql h THR 616 Cb 0.01 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3kql h THR 616 CO -0.02 0.15 0.14 0.11 0.37 0.00 0.00 175.52 176.27 3kql h LYS 617 N 0.85 0.41 -0.09 6.66 1.57 -0.80 -1.99 116.57 123.18 3kql h LYS 617 Ca 0.31 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 3kql h LYS 617 Cb 0.09 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 3kql h LYS 617 CO -0.14 0.39 -0.27 -0.92 -0.57 0.00 0.00 179.45 177.93 3kql h TYR 618 N 0.33 -0.74 -0.68 -1.35 3.20 -0.14 -1.32 116.97 116.28 3kql h TYR 618 Ca 0.10 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.04 3kql h TYR 618 Cb 0.11 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3kql h TYR 618 CO -0.02 -0.36 0.45 0.82 -1.64 0.00 0.00 178.16 177.41 3kql h ILE 619 N -0.37 1.07 -0.71 1.81 2.04 -1.11 -1.27 117.51 118.97 3kql h ILE 619 Ca 0.09 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3kql h ILE 619 Cb 0.50 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3kql h ILE 619 CO -0.30 0.14 0.32 0.24 0.00 0.00 0.00 178.15 178.55 3kql h MET 620 N 0.77 1.04 0.00 2.37 2.86 -0.53 -2.18 114.93 119.26 3kql h MET 620 Ca 0.28 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3kql h MET 620 Cb 0.13 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3kql h MET 620 CO -0.08 0.83 -0.27 0.00 1.06 0.00 0.00 176.91 178.45 3kql h ALA 621 N 1.15 1.52 0.00 6.32 0.00 -0.19 -0.80 119.26 127.26 3kql h ALA 621 Ca 0.24 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kql h ALA 621 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kql h ALA 621 CO -0.03 0.34 -0.39 0.00 0.00 0.00 0.00 179.25 179.17 3kql h MET 623 N 0.00 0.00 -0.83 0.00 2.86 -0.82 -3.36 114.93 112.77 3kql h MET 623 Ca -0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3kql h MET 623 Cb 0.80 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 3kql h MET 623 CO 0.05 0.47 0.54 0.77 1.06 0.00 0.00 176.91 179.80 3kql h SER 624 N -1.00 0.60 0.00 1.22 0.02 -1.30 -3.52 113.55 109.57 3kql h SER 624 Ca -0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3kql h SER 624 Cb 0.63 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3kql h SER 624 CO -0.04 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 175.98