#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqn n PRO 190 N 0.00 1.23 -1.62 -1.46 -0.02 -1.26 -4.84 135.00 127.03 3kqn n PRO 190 Ca 0.00 0.44 -0.48 0.00 -2.02 0.00 0.00 63.50 61.45 3kqn n PRO 190 Cb 0.00 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 3kqn n PRO 190 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kqn n PRO 191 N 2.43 1.51 -2.56 0.52 -0.02 -1.26 -4.95 135.00 130.66 3kqn n PRO 191 Ca 0.18 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 3kqn n PRO 191 Cb 0.21 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3kqn n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kqn s ALA 192 N -0.03 3.06 -0.40 3.55 0.00 -1.26 -4.97 121.76 121.72 3kqn s ALA 192 Ca 0.73 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 3kqn s ALA 192 Cb -0.78 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.09 3kqn s ALA 192 CO 0.50 -0.20 1.36 0.08 0.00 0.00 0.00 175.76 177.51 3kqn s VAL 193 N -1.71 3.98 1.04 0.00 1.01 -1.26 -5.00 120.40 118.45 3kqn s VAL 193 Ca 0.59 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 3kqn s VAL 193 Cb -0.21 -4.24 0.21 0.00 0.00 0.00 0.00 36.38 32.14 3kqn s VAL 193 CO 0.26 -0.74 1.10 -2.16 0.00 0.00 0.00 175.10 173.57 3kqn s PRO 194 N 4.75 0.09 0.10 2.72 0.04 -1.26 -4.98 135.00 136.46 3kqn s PRO 194 Ca 0.59 0.35 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 3kqn s PRO 194 Cb -0.13 -1.71 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 3kqn s PRO 194 CO 0.31 -2.92 1.24 1.96 0.04 0.00 0.00 177.00 177.63 3kqn h GLN 195 N -2.03 0.52 -6.78 4.56 7.50 -1.95 -3.45 115.11 113.49 3kqn h GLN 195 Ca -0.53 -0.58 -0.67 0.00 0.50 0.00 0.00 58.65 57.37 3kqn h GLN 195 Cb 1.33 0.17 -0.22 0.00 0.05 0.00 0.00 27.48 28.81 3kqn h GLN 195 CO 0.54 1.21 -0.86 0.95 -1.50 0.00 0.00 178.83 179.17 3kqn s THR 196 N -3.22 2.18 0.17 -0.54 -4.23 -1.26 -5.04 115.64 103.70 3kqn s THR 196 Ca -0.07 -1.74 -0.21 0.00 -1.18 0.00 0.00 61.69 58.48 3kqn s THR 196 Cb 0.08 -1.94 -0.13 0.00 1.34 0.00 0.00 72.50 71.85 3kqn s THR 196 CO 0.89 0.05 0.38 0.33 -0.54 0.00 0.00 174.62 175.73 3kqn n PHE 197 N 0.89 -0.47 -3.59 3.99 7.35 -1.25 -4.90 117.46 119.48 3kqn n PHE 197 Ca -0.18 0.73 -0.14 0.00 -0.76 0.00 0.00 57.45 57.10 3kqn n PHE 197 Cb 0.53 -1.50 -0.06 0.00 0.35 0.00 0.00 39.48 38.80 3kqn n PHE 197 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kqn s GLN 198 N -0.77 0.82 -0.19 -4.13 0.74 -0.80 -4.99 119.66 110.33 3kqn s GLN 198 Ca 0.49 0.61 -0.05 0.00 0.05 0.00 0.00 55.36 56.46 3kqn s GLN 198 Cb -0.70 0.39 -0.03 0.00 1.10 0.00 0.00 33.01 33.78 3kqn s GLN 198 CO 0.44 -0.17 0.00 0.08 -0.55 0.00 0.00 175.29 175.09 3kqn s VAL 199 N -0.29 4.04 0.22 1.34 1.01 -1.26 -1.33 120.40 124.13 3kqn s VAL 199 Ca -0.03 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3kqn s VAL 199 Cb -0.03 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3kqn s VAL 199 CO 0.03 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.43 3kqn s ALA 200 N 0.87 2.09 0.13 5.51 0.00 0.83 -4.96 121.76 126.22 3kqn s ALA 200 Ca 0.01 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.32 3kqn s ALA 200 Cb -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3kqn s ALA 200 CO 0.02 0.04 0.03 -1.01 0.00 0.00 0.00 175.76 174.84 3kqn s HIS 201 N -2.98 2.98 -0.14 0.00 3.76 -1.26 -0.81 115.29 116.85 3kqn s HIS 201 Ca 0.24 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 3kqn s HIS 201 Cb 0.00 -1.49 0.05 0.00 1.11 0.00 0.00 32.58 32.25 3kqn s HIS 201 CO 0.08 0.50 0.03 -1.17 -0.85 0.00 0.00 174.74 173.33 3kqn s LEU 202 N -2.64 0.83 -0.15 0.89 2.96 -0.70 -4.77 118.68 115.09 3kqn s LEU 202 Ca 0.27 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3kqn s LEU 202 Cb -0.11 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.11 3kqn s LEU 202 CO 0.19 -0.26 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.78 3kqn s HIS 203 N 1.94 2.47 -0.05 5.38 3.76 -1.26 -2.02 115.29 125.51 3kqn s HIS 203 Ca 0.02 -1.37 -0.23 0.00 -0.15 0.00 0.00 55.06 53.33 3kqn s HIS 203 Cb -0.15 -1.74 0.05 0.00 1.11 0.00 0.00 32.58 31.85 3kqn s HIS 203 CO -0.07 -0.69 0.51 0.00 -0.85 0.00 0.00 174.74 173.65 3kqn s ALA 204 N 1.22 -1.32 0.96 -1.40 0.00 -1.21 -5.03 121.76 114.98 3kqn s ALA 204 Ca 0.01 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 3kqn s ALA 204 Cb -0.14 -0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.04 3kqn s ALA 204 CO -0.09 -0.32 0.65 -0.35 0.00 0.00 0.00 175.76 175.66 3kqn n PRO 205 N 1.20 -0.54 -1.86 0.00 -0.04 -1.26 -3.65 135.00 128.85 3kqn n PRO 205 Ca -0.20 -0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.74 3kqn n PRO 205 Cb 0.57 -2.03 -0.01 0.00 -0.04 0.00 0.00 33.50 31.98 3kqn n PRO 205 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kqn s THR 206 N -2.47 2.20 0.00 0.52 -4.23 -1.26 -1.95 115.64 108.45 3kqn s THR 206 Ca 0.61 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3kqn s THR 206 Cb -0.21 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.51 3kqn s THR 206 CO 0.64 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 3kqn n GLY 207 N 1.19 1.09 0.21 3.99 0.00 -1.26 -4.91 105.19 105.50 3kqn n GLY 207 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3kqn n GLY 207 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqn h SER 208 N 0.00 0.00 0.00 1.61 4.64 -1.73 -3.42 113.55 114.65 3kqn h SER 208 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kqn h SER 208 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kqn h SER 208 CO 0.00 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 3kqn n GLY 209 N -0.15 1.16 0.30 -0.77 0.00 -1.26 -4.93 105.19 99.54 3kqn n GLY 209 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3kqn n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqn h LYS 210 N 0.00 0.64 -0.01 1.61 1.57 -1.90 0.14 116.57 118.62 3kqn h LYS 210 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kqn h LYS 210 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3kqn h LYS 210 CO 0.00 0.43 -0.23 0.43 -0.57 0.00 0.00 179.45 179.50 3kqn n SER 211 N -4.84 0.80 0.08 0.86 7.64 -1.26 -4.19 113.62 112.71 3kqn n SER 211 Ca 0.15 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.32 3kqn n SER 211 Cb 0.36 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3kqn n SER 211 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kqn n THR 212 N -0.84 0.63 0.01 0.44 -2.24 -0.88 -4.74 114.28 106.67 3kqn n THR 212 Ca 0.12 0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.99 3kqn n THR 212 Cb 0.33 -1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 3kqn n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kqn h LYS 213 N 0.00 0.09 0.25 -0.78 1.57 -1.02 -2.58 116.57 114.09 3kqn h LYS 213 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kqn h LYS 213 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3kqn h LYS 213 CO 0.00 0.09 -0.23 0.28 -0.57 0.00 0.00 179.45 179.02 3kqn h VAL 214 N 0.06 0.52 -0.03 0.50 2.07 -1.62 -0.52 116.25 117.22 3kqn h VAL 214 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3kqn h VAL 214 Cb 0.03 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3kqn h VAL 214 CO -0.00 0.00 -0.11 1.55 0.02 0.00 0.00 177.57 179.03 3kqn h PRO 215 N -0.50 0.05 -0.32 1.57 0.13 -1.75 -1.56 132.00 129.61 3kqn h PRO 215 Ca -0.01 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 3kqn h PRO 215 Cb 0.45 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 3kqn h PRO 215 CO -0.04 0.16 0.11 0.00 -0.23 0.00 0.00 178.00 177.99 3kqn h ALA 216 N 1.85 0.42 -0.08 -0.56 0.00 -1.01 -1.11 119.26 118.76 3kqn h ALA 216 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kqn h ALA 216 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kqn h ALA 216 CO 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.30 3kqn h ALA 217 N 0.94 0.06 -0.66 0.00 0.00 -0.32 -0.28 119.26 119.01 3kqn h ALA 217 Ca 0.10 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3kqn h ALA 217 Cb 0.23 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3kqn h ALA 217 CO -0.00 -0.48 0.38 1.88 0.00 0.00 0.00 179.25 181.02 3kqn h TYR 218 N 0.01 0.70 -0.88 0.00 0.05 -1.16 -1.51 116.97 114.18 3kqn h TYR 218 Ca 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 3kqn h TYR 218 Cb 0.06 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 3kqn h TYR 218 CO -0.13 0.35 0.45 0.00 -1.05 0.00 0.00 178.16 177.78 3kqn h ALA 219 N 1.33 1.13 0.00 3.88 0.00 -0.81 -1.63 119.26 123.16 3kqn h ALA 219 Ca 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kqn h ALA 219 Cb 0.14 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kqn h ALA 219 CO -0.16 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.68 3kqn h ALA 220 N 1.25 1.70 0.00 0.00 0.00 -0.05 -0.05 119.26 122.10 3kqn h ALA 220 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kqn h ALA 220 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kqn h ALA 220 CO -0.04 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.34 3kqn n GLN 221 N -4.19 0.24 0.00 0.00 6.02 -0.65 -4.89 117.38 113.90 3kqn n GLN 221 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3kqn n GLN 221 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 3kqn n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqn n GLY 222 N 1.36 1.02 3.92 1.08 0.00 -0.03 -5.10 105.19 107.43 3kqn n GLY 222 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3kqn n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqn s TYR 223 N -2.00 3.51 -0.22 1.61 2.02 -1.01 -5.02 117.35 116.24 3kqn s TYR 223 Ca 0.00 0.30 -0.18 0.00 -0.37 0.00 0.00 57.07 56.82 3kqn s TYR 223 Cb 0.00 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3kqn s TYR 223 CO 0.00 0.56 0.52 0.15 -1.57 0.00 0.00 175.55 175.21 3kqn s LYS 224 N -2.57 4.14 -0.06 -0.62 1.02 -1.26 -4.16 119.74 116.24 3kqn s LYS 224 Ca 0.36 0.39 0.05 0.00 0.02 0.00 0.00 55.97 56.79 3kqn s LYS 224 Cb -0.13 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 3kqn s LYS 224 CO 0.27 -0.23 -0.23 0.08 -0.92 0.00 0.00 175.35 174.32 3kqn s VAL 225 N 1.91 2.25 -0.16 3.17 1.01 0.12 -1.18 120.40 127.52 3kqn s VAL 225 Ca 0.23 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3kqn s VAL 225 Cb -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3kqn s VAL 225 CO 0.09 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.41 3kqn s LEU 226 N -0.21 2.60 -0.25 3.92 2.96 -0.47 -0.28 118.68 126.95 3kqn s LEU 226 Ca -0.02 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3kqn s LEU 226 Cb -0.13 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3kqn s LEU 226 CO 0.03 0.08 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 3kqn s VAL 227 N 0.84 2.96 -0.27 1.68 1.01 0.13 -0.02 120.40 126.72 3kqn s VAL 227 Ca -0.04 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3kqn s VAL 227 Cb -0.15 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3kqn s VAL 227 CO 0.00 0.22 0.23 -0.76 0.00 0.00 0.00 175.10 174.78 3kqn s LEU 228 N 1.35 4.03 0.01 3.92 1.43 -0.16 -1.00 118.68 128.26 3kqn s LEU 228 Ca 0.01 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 3kqn s LEU 228 Cb -0.16 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3kqn s LEU 228 CO -0.04 -0.07 -0.20 0.21 0.23 0.00 0.00 176.35 176.48 3kqn s ASN 229 N 1.68 2.37 0.05 2.29 3.84 0.01 -1.21 114.94 123.98 3kqn s ASN 229 Ca 0.09 -0.42 0.23 0.00 0.21 0.00 0.00 52.86 52.97 3kqn s ASN 229 Cb -0.16 -0.24 0.95 0.00 -0.55 0.00 0.00 41.25 41.26 3kqn s ASN 229 CO 0.10 0.21 1.73 -0.81 -2.79 0.00 0.00 177.10 175.55 3kqn n PRO 230 N 2.31 0.05 -3.62 0.43 -0.04 -1.26 -2.21 135.00 130.65 3kqn n PRO 230 Ca -0.16 0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 3kqn n PRO 230 Cb 0.53 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 3kqn n PRO 230 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kqn s SER 231 N -3.31 5.87 0.13 3.54 0.15 -1.26 -4.80 113.70 114.01 3kqn s SER 231 Ca 0.10 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 3kqn s SER 231 Cb 0.14 -2.08 -0.00 0.00 -1.71 0.00 0.00 66.02 62.36 3kqn s SER 231 CO 0.44 -0.04 1.64 0.58 1.20 0.00 0.00 173.24 177.06 3kqn h VAL 232 N 5.38 1.22 -0.29 4.45 2.07 -1.93 -0.70 116.25 126.46 3kqn h VAL 232 Ca -0.36 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.44 3kqn h VAL 232 Cb 1.19 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3kqn h VAL 232 CO 0.56 0.27 0.06 0.00 0.02 0.00 0.00 177.57 178.48 3kqn h ALA 233 N 0.97 0.30 -0.35 1.67 0.00 -1.93 -1.17 119.26 118.76 3kqn h ALA 233 Ca 0.13 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3kqn h ALA 233 Cb 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kqn h ALA 233 CO -0.00 -0.35 0.02 0.00 0.00 0.00 0.00 179.25 178.92 3kqn h ALA 234 N 1.21 0.47 -0.17 0.00 0.00 -1.86 -1.18 119.26 117.72 3kqn h ALA 234 Ca 0.13 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kqn h ALA 234 Cb 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kqn h ALA 234 CO -0.17 0.21 -0.12 1.15 0.00 0.00 0.00 179.25 180.32 3kqn h THR 235 N 0.42 0.64 -0.48 0.00 2.02 -0.88 0.43 112.91 115.05 3kqn h THR 235 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3kqn h THR 235 Cb 0.42 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3kqn h THR 235 CO 0.01 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 176.01 3kqn h LEU 236 N -0.13 0.63 -1.06 2.58 3.38 -1.19 -2.28 115.31 117.25 3kqn h LEU 236 Ca 0.10 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3kqn h LEU 236 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3kqn h LEU 236 CO -0.25 0.58 -0.07 1.23 0.09 0.00 0.00 178.44 180.03 3kqn h GLY 237 N 0.84 0.64 1.27 0.83 0.00 0.31 -2.80 103.07 104.16 3kqn h GLY 237 Ca 0.17 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3kqn h GLY 237 CO -0.01 0.40 0.12 0.74 0.00 0.00 0.00 176.54 177.78 3kqn h PHE 238 N 0.55 0.95 0.08 5.60 0.04 0.35 -1.98 116.94 122.53 3kqn h PHE 238 Ca 0.11 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.79 3kqn h PHE 238 Cb 0.45 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3kqn h PHE 238 CO 0.02 0.80 -0.17 0.78 -0.60 0.00 0.00 178.31 179.14 3kqn h GLY 239 N 1.01 -0.29 0.82 -1.45 0.00 -1.38 0.50 103.07 102.28 3kqn h GLY 239 Ca 0.18 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 3kqn h GLY 239 CO 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 176.54 176.36 3kqn h ALA 240 N 0.53 -0.06 0.04 3.60 0.00 -1.51 -2.48 119.26 119.38 3kqn h ALA 240 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kqn h ALA 240 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kqn h ALA 240 CO -0.11 -0.44 -0.02 -0.92 0.00 0.00 0.00 179.25 177.76 3kqn h TYR 241 N -0.24 -0.05 -0.69 0.00 5.03 -1.29 -2.51 116.97 117.22 3kqn h TYR 241 Ca -0.01 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 3kqn h TYR 241 Cb 0.22 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.48 3kqn h TYR 241 CO -0.01 0.00 0.45 0.52 -1.32 0.00 0.00 178.16 177.80 3kqn h MET 242 N -0.09 0.77 -0.29 1.82 2.86 -0.96 -0.13 114.93 118.91 3kqn h MET 242 Ca -0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3kqn h MET 242 Cb 0.08 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3kqn h MET 242 CO 0.01 0.51 0.16 1.03 1.06 0.00 0.00 176.91 179.67 3kqn h SER 243 N 0.79 0.37 -0.40 1.22 0.87 -0.87 -0.76 113.55 114.77 3kqn h SER 243 Ca 0.28 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3kqn h SER 243 Cb 0.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3kqn h SER 243 CO -0.08 0.36 0.00 2.29 -0.53 0.00 0.00 176.83 178.86 3kqn n LYS 244 N -4.81 2.49 0.00 2.24 2.85 -0.98 -3.62 118.16 116.34 3kqn n LYS 244 Ca -0.02 -2.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.95 3kqn n LYS 244 Cb 0.08 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 3kqn n LYS 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kqn n ALA 245 N 1.47 1.79 -0.21 0.58 0.00 -0.09 -4.76 120.51 119.29 3kqn n ALA 245 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.66 3kqn n ALA 245 Cb 0.60 0.20 0.08 0.00 0.00 0.00 0.00 19.45 20.33 3kqn n ALA 245 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kqn n HIS 246 N -1.69 0.22 -3.93 0.00 8.25 -0.34 -4.99 115.22 112.73 3kqn n HIS 246 Ca 0.00 -0.56 -0.27 0.00 -0.26 0.00 0.00 57.72 56.62 3kqn n HIS 246 Cb 0.39 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3kqn n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqn n GLY 247 N -0.23 -0.33 3.15 -1.41 0.00 -0.99 -4.96 105.19 100.42 3kqn n GLY 247 Ca 0.07 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3kqn n GLY 247 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kqn s ILE 248 N -3.64 -0.05 -0.75 -0.61 2.07 -0.91 -5.00 121.20 112.30 3kqn s ILE 248 Ca 0.27 0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.54 3kqn s ILE 248 Cb -0.14 -0.48 0.20 0.00 0.13 0.00 0.00 42.46 42.16 3kqn s ILE 248 CO 0.87 0.05 0.65 -1.81 -1.91 0.00 0.00 174.94 172.78 3kqn s ASP 249 N 1.37 6.18 0.87 4.50 1.11 -1.26 -1.81 116.67 127.62 3kqn s ASP 249 Ca -0.09 -2.77 -0.12 0.00 0.18 0.00 0.00 52.55 49.75 3kqn s ASP 249 Cb -0.10 -2.07 0.11 0.00 1.07 0.00 0.00 42.92 41.93 3kqn s ASP 249 CO -0.10 -0.49 1.10 -2.16 1.18 0.00 0.00 175.17 174.70 3kqn s PRO 250 N 0.05 1.50 0.34 8.23 0.04 -1.26 -4.48 135.00 139.41 3kqn s PRO 250 Ca 0.18 0.64 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 3kqn s PRO 250 Cb -0.14 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 3kqn s PRO 250 CO -0.07 -2.03 1.02 -0.80 0.04 0.00 0.00 177.00 175.17 3kqn s ASN 251 N -3.72 7.12 -0.06 6.66 0.01 -0.58 -4.70 114.94 119.68 3kqn s ASN 251 Ca 0.63 2.02 0.03 0.00 -0.71 0.00 0.00 52.86 54.83 3kqn s ASN 251 Cb -0.16 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3kqn s ASN 251 CO 0.55 -0.23 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.12 3kqn s ILE 252 N -1.50 1.35 -0.14 0.60 -1.09 0.88 -0.62 121.20 120.69 3kqn s ILE 252 Ca 0.51 -0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3kqn s ILE 252 Cb -0.23 -1.19 0.05 0.00 -1.58 0.00 0.00 42.46 39.51 3kqn s ILE 252 CO 0.30 0.40 0.03 -0.13 -1.23 0.00 0.00 174.94 174.30 3kqn s ARG 253 N 0.30 0.54 0.16 2.79 0.52 0.16 -0.11 118.95 123.30 3kqn s ARG 253 Ca -0.09 -0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 54.92 3kqn s ARG 253 Cb -0.14 -1.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 3kqn s ARG 253 CO 0.03 -0.50 0.22 0.95 0.02 0.00 0.00 175.30 176.02 3kqn s THR 254 N 1.95 0.07 -0.33 0.02 -4.23 -0.83 -2.27 115.64 110.02 3kqn s THR 254 Ca 0.02 -1.58 0.26 0.00 -1.18 0.00 0.00 61.69 59.21 3kqn s THR 254 Cb -0.15 -1.97 0.29 0.00 1.34 0.00 0.00 72.50 72.01 3kqn s THR 254 CO -0.07 -0.31 1.78 1.23 -0.54 0.00 0.00 174.62 176.72 3kqn h GLY 255 N 2.62 0.00 0.28 3.99 0.00 -1.96 -3.20 103.07 104.80 3kqn h GLY 255 Ca -0.33 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.63 3kqn h GLY 255 CO 0.51 0.00 -2.26 -0.62 0.00 0.00 0.00 176.54 174.17 3kqn n VAL 256 N -2.46 1.62 -3.78 4.60 0.31 -1.26 -5.00 118.33 112.36 3kqn n VAL 256 Ca 0.02 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.60 3kqn n VAL 256 Cb 0.25 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 3kqn n VAL 256 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3kqn s ARG 257 N -2.54 0.36 -0.03 5.55 3.52 -1.21 -5.15 118.95 119.46 3kqn s ARG 257 Ca -0.29 0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 3kqn s ARG 257 Cb 0.08 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.63 3kqn s ARG 257 CO 0.68 -0.06 -0.21 0.99 -0.81 0.00 0.00 175.30 175.89 3kqn s THR 258 N -0.11 1.70 -0.14 4.11 2.01 -1.26 -1.97 115.64 119.98 3kqn s THR 258 Ca -0.02 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 3kqn s THR 258 Cb -0.03 -1.42 0.05 0.00 0.01 0.00 0.00 72.50 71.11 3kqn s THR 258 CO 0.01 0.48 0.05 -0.63 -0.69 0.00 0.00 174.62 173.84 3kqn s ILE 259 N -0.36 0.22 -0.28 1.82 1.01 0.84 -4.96 121.20 119.49 3kqn s ILE 259 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 3kqn s ILE 259 Cb -0.10 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.72 3kqn s ILE 259 CO 0.00 -0.08 0.05 -0.89 0.00 0.00 0.00 174.94 174.03 3kqn s THR 260 N 2.01 3.79 -0.04 2.92 2.01 -1.26 -0.08 115.64 124.99 3kqn s THR 260 Ca 0.02 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.40 3kqn s THR 260 Cb -0.15 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 3kqn s THR 260 CO -0.07 0.14 0.08 0.35 -0.69 0.00 0.00 174.62 174.43 3kqn n THR 261 N 4.84 0.25 -0.27 -0.82 -2.24 -1.26 -5.01 114.28 109.76 3kqn n THR 261 Ca -0.15 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3kqn n THR 261 Cb 0.48 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3kqn n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqn n GLY 262 N 2.38 0.86 3.70 3.38 0.00 -1.26 -5.05 105.19 109.19 3kqn n GLY 262 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3kqn n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqn s ALA 263 N -2.02 1.58 -2.00 4.61 0.00 -1.26 -4.91 121.76 117.76 3kqn s ALA 263 Ca 0.00 0.26 0.19 0.00 0.00 0.00 0.00 51.96 52.42 3kqn s ALA 263 Cb 0.00 -3.31 1.16 0.00 0.00 0.00 0.00 23.12 20.97 3kqn s ALA 263 CO 0.00 -2.42 1.72 -0.35 0.00 0.00 0.00 175.76 174.71 3kqn n PRO 264 N -3.97 0.96 -4.59 0.00 -0.04 -1.26 -4.72 135.00 121.39 3kqn n PRO 264 Ca 0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 3kqn n PRO 264 Cb 0.53 -1.32 -0.16 0.00 -0.04 0.00 0.00 33.50 32.51 3kqn n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kqn s ILE 265 N -2.00 1.12 -0.08 0.52 1.01 -1.26 0.16 121.20 120.67 3kqn s ILE 265 Ca 0.29 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3kqn s ILE 265 Cb 0.13 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.59 3kqn s ILE 265 CO 0.23 0.35 -0.18 -0.89 0.00 0.00 0.00 174.94 174.44 3kqn s THR 266 N 0.52 1.61 -0.18 2.92 2.01 0.61 -1.52 115.64 121.61 3kqn s THR 266 Ca -0.12 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 3kqn s THR 266 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3kqn s THR 266 CO 0.03 0.46 0.00 -0.31 -0.69 0.00 0.00 174.62 174.11 3kqn s TYR 267 N 0.44 3.08 -0.01 4.92 1.51 0.21 0.17 117.35 127.66 3kqn s TYR 267 Ca -0.15 -0.28 -0.08 0.00 -1.01 0.00 0.00 57.07 55.55 3kqn s TYR 267 Cb -0.16 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3kqn s TYR 267 CO 0.06 -0.08 0.16 0.45 -1.11 0.00 0.00 175.55 175.03 3kqn s SER 268 N 0.63 -0.02 0.58 2.29 0.15 -0.17 -0.67 113.70 116.49 3kqn s SER 268 Ca -0.00 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.43 3kqn s SER 268 Cb -0.14 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 3kqn s SER 268 CO 0.02 -0.32 1.00 0.42 1.20 0.00 0.00 173.24 175.56 3kqn s THR 269 N -1.12 4.67 0.25 6.45 -4.23 -0.96 -0.81 115.64 119.90 3kqn s THR 269 Ca -0.12 0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 3kqn s THR 269 Cb -0.06 -3.82 0.22 0.00 1.34 0.00 0.00 72.50 70.17 3kqn s THR 269 CO 0.01 -0.99 1.88 1.88 -0.54 0.00 0.00 174.62 176.87 3kqn h TYR 270 N 0.10 1.17 -0.11 3.99 0.05 -1.76 -1.86 116.97 118.56 3kqn h TYR 270 Ca -0.45 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.34 3kqn h TYR 270 Cb 1.19 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 3kqn h TYR 270 CO 0.65 0.80 -0.09 0.78 -1.05 0.00 0.00 178.16 179.25 3kqn h GLY 271 N 1.22 -0.00 1.54 3.88 0.00 -1.86 0.10 103.07 107.95 3kqn h GLY 271 Ca 0.31 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.67 3kqn h GLY 271 CO -0.05 -0.11 -0.14 1.70 0.00 0.00 0.00 176.54 177.94 3kqn h LYS 272 N -0.11 0.55 -0.35 4.80 1.63 -1.83 -0.69 116.57 120.57 3kqn h LYS 272 Ca 0.08 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3kqn h LYS 272 Cb 0.22 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3kqn h LYS 272 CO -0.18 0.67 0.17 0.35 -3.45 0.00 0.00 179.45 177.02 3kqn h PHE 273 N 0.50 0.49 -0.46 1.91 3.57 -0.85 0.89 116.94 122.99 3kqn h PHE 273 Ca 0.09 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3kqn h PHE 273 Cb 0.54 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3kqn h PHE 273 CO 0.02 0.42 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.43 3kqn h LEU 274 N 0.43 0.80 -1.71 0.59 3.38 -0.71 -1.72 115.31 116.37 3kqn h LEU 274 Ca 0.12 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3kqn h LEU 274 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kqn h LEU 274 CO -0.02 0.92 -0.17 0.00 0.09 0.00 0.00 178.44 179.27 3kqn h ALA 275 N 0.91 1.63 0.00 1.53 0.00 -0.83 -1.48 119.26 121.02 3kqn h ALA 275 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kqn h ALA 275 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kqn h ALA 275 CO 0.03 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 3kqn n ASP 276 N -4.21 0.58 0.00 0.00 8.00 0.28 -4.91 116.55 116.29 3kqn n ASP 276 Ca -0.02 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3kqn n ASP 276 Cb 0.24 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3kqn n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kqn n GLY 277 N 1.09 1.18 4.32 0.44 0.00 -0.56 -5.01 105.19 106.65 3kqn n GLY 277 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kqn n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqn n GLY 278 N -1.46 -0.86 3.77 -0.02 0.00 -0.67 -4.93 105.19 101.01 3kqn n GLY 278 Ca 0.00 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3kqn n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqn s SER 280 N -0.62 6.19 0.09 0.00 0.01 -1.26 -5.00 113.70 113.10 3kqn s SER 280 Ca 0.51 0.34 -0.31 0.00 1.31 0.00 0.00 55.95 57.80 3kqn s SER 280 Cb -0.38 -1.93 -0.11 0.00 0.21 0.00 0.00 66.02 63.81 3kqn s SER 280 CO 0.50 0.32 1.85 0.61 0.41 0.00 0.00 173.24 176.93 3kqn n GLY 281 N 1.38 1.66 2.77 3.44 0.00 -1.26 -2.68 105.19 110.49 3kqn n GLY 281 Ca -0.15 0.75 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 3kqn n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqn n GLY 282 N 4.26 -0.50 0.13 -0.02 0.00 0.20 -4.87 105.19 104.40 3kqn n GLY 282 Ca 0.19 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 3kqn n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqn h ALA 283 N 0.99 0.19 -3.18 4.61 0.00 -1.67 -3.48 119.26 116.71 3kqn h ALA 283 Ca -0.35 -1.13 -0.27 0.00 0.00 0.00 0.00 54.91 53.16 3kqn h ALA 283 Cb 1.25 0.40 -0.22 0.00 0.00 0.00 0.00 17.79 19.22 3kqn h ALA 283 CO 0.42 1.06 -0.73 0.71 0.00 0.00 0.00 179.25 180.70 3kqn s TYR 284 N -2.59 0.62 -0.04 0.00 1.51 -1.26 -4.90 117.35 110.69 3kqn s TYR 284 Ca -0.14 -0.48 0.07 0.00 -1.01 0.00 0.00 57.07 55.51 3kqn s TYR 284 Cb 0.06 -0.38 -0.24 0.00 -0.11 0.00 0.00 41.96 41.29 3kqn s TYR 284 CO 0.86 -0.09 0.66 -0.44 -1.11 0.00 0.00 175.55 175.43 3kqn h ASP 285 N 4.58 0.13 -3.78 2.29 3.45 -1.44 -3.28 116.42 118.36 3kqn h ASP 285 Ca -0.35 -0.26 -0.45 0.00 0.43 0.00 0.00 57.03 56.40 3kqn h ASP 285 Cb 1.20 -0.04 -0.31 0.00 -0.56 0.00 0.00 39.33 39.62 3kqn h ASP 285 CO 0.41 1.23 -0.79 -0.63 -1.57 0.00 0.00 179.24 177.88 3kqn s ILE 286 N -2.60 0.88 -0.14 0.35 1.01 -0.89 -1.02 121.20 118.78 3kqn s ILE 286 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3kqn s ILE 286 Cb 0.08 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.78 3kqn s ILE 286 CO 0.82 0.27 -0.16 -0.63 0.00 0.00 0.00 174.94 175.24 3kqn s ILE 287 N 0.24 1.69 -0.35 2.92 1.01 -0.50 -1.37 121.20 124.85 3kqn s ILE 287 Ca -0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3kqn s ILE 287 Cb -0.10 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.83 3kqn s ILE 287 CO 0.01 0.48 0.20 -0.63 0.00 0.00 0.00 174.94 175.00 3kqn s ILE 288 N 1.28 4.74 -1.05 2.92 1.01 0.96 -1.13 121.20 129.93 3kqn s ILE 288 Ca 0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 3kqn s ILE 288 Cb -0.14 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 38.91 3kqn s ILE 288 CO -0.08 -0.10 1.36 0.00 0.00 0.00 0.00 174.94 176.11 3kqn s ASP 290 N 3.95 5.58 -1.46 0.00 3.68 -0.35 -2.00 116.67 126.07 3kqn s ASP 290 Ca 0.41 2.02 -0.02 0.00 2.13 0.00 0.00 52.55 57.08 3kqn s ASP 290 Cb -0.02 -2.56 0.02 0.00 -1.45 0.00 0.00 42.92 38.91 3kqn s ASP 290 CO -0.06 -1.31 0.42 -0.62 0.13 0.00 0.00 175.17 173.74 3kqn n GLU 291 N -1.81 -3.08 0.00 4.34 -0.58 -0.05 -4.62 120.64 114.83 3kqn n GLU 291 Ca 0.10 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3kqn n GLU 291 Cb 0.52 -4.51 0.00 0.00 -0.57 0.00 0.00 31.44 26.87 3kqn n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqn n HIS 293 N -0.40 0.18 -2.20 0.00 1.44 -1.26 -4.74 115.22 108.23 3kqn n HIS 293 Ca 0.00 0.05 -0.42 0.00 -2.01 0.00 0.00 57.72 55.34 3kqn n HIS 293 Cb 0.01 -0.37 -0.03 0.00 0.12 0.00 0.00 29.99 29.73 3kqn n HIS 293 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3kqn s SER 294 N -3.48 6.84 -0.33 4.39 0.01 -0.86 -4.93 113.70 115.34 3kqn s SER 294 Ca 0.08 2.16 0.09 0.00 1.31 0.00 0.00 55.95 59.59 3kqn s SER 294 Cb 0.16 -2.56 0.59 0.00 0.21 0.00 0.00 66.02 64.42 3kqn s SER 294 CO 0.74 -0.71 1.64 0.35 0.41 0.00 0.00 173.24 175.67 3kqn n THR 295 N 4.55 2.77 -2.59 1.44 -2.24 -1.26 -4.52 114.28 112.43 3kqn n THR 295 Ca 0.13 -2.24 -0.33 0.00 -2.27 0.00 0.00 64.05 59.35 3kqn n THR 295 Cb 0.43 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 3kqn n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqn s ASP 296 N -1.88 6.73 0.45 3.42 1.47 -1.26 -4.92 116.67 120.69 3kqn s ASP 296 Ca 0.50 1.65 0.11 0.00 1.18 0.00 0.00 52.55 55.98 3kqn s ASP 296 Cb 0.43 -2.53 1.02 0.00 -0.34 0.00 0.00 42.92 41.50 3kqn s ASP 296 CO 0.06 -0.51 2.08 0.77 0.68 0.00 0.00 175.17 178.26 3kqn h SER 297 N 1.38 0.30 -0.38 2.11 4.64 -1.90 -2.41 113.55 117.30 3kqn h SER 297 Ca -0.48 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 3kqn h SER 297 Cb 1.18 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3kqn h SER 297 CO 0.61 0.21 0.04 0.74 -0.87 0.00 0.00 176.83 177.57 3kqn h THR 298 N 0.35 1.25 -0.30 2.95 2.02 -1.93 -1.02 112.91 116.23 3kqn h THR 298 Ca 0.11 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 3kqn h THR 298 Cb 0.03 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3kqn h THR 298 CO -0.03 0.30 0.11 0.74 0.37 0.00 0.00 175.52 177.02 3kqn h THR 299 N 0.47 1.18 -0.07 3.16 2.02 -1.81 0.39 112.91 118.27 3kqn h THR 299 Ca 0.11 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3kqn h THR 299 Cb 0.40 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3kqn h THR 299 CO 0.01 0.19 -0.14 0.40 0.37 0.00 0.00 175.52 176.35 3kqn h ILE 300 N 0.33 0.64 -0.90 3.11 1.08 -1.31 0.48 117.51 120.93 3kqn h ILE 300 Ca 0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 3kqn h ILE 300 Cb 0.19 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 3kqn h ILE 300 CO -0.01 0.00 0.55 -0.07 -0.69 0.00 0.00 178.15 177.93 3kqn h LEU 301 N -0.20 1.09 -0.16 1.44 3.38 -1.09 -0.91 115.31 118.85 3kqn h LEU 301 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kqn h LEU 301 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kqn h LEU 301 CO -0.19 0.83 0.06 1.23 0.09 0.00 0.00 178.44 180.47 3kqn h GLY 302 N 1.24 0.26 1.00 0.83 0.00 -0.33 -0.54 103.07 105.52 3kqn h GLY 302 Ca 0.32 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3kqn h GLY 302 CO -0.06 0.13 0.11 -2.22 0.00 0.00 0.00 176.54 174.50 3kqn h ILE 303 N 0.10 1.25 -0.82 2.60 2.04 -0.74 -2.17 117.51 119.77 3kqn h ILE 303 Ca 0.05 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 3kqn h ILE 303 Cb 0.18 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3kqn h ILE 303 CO -0.00 0.33 0.44 1.23 0.00 0.00 0.00 178.15 180.14 3kqn h GLY 304 N 0.77 1.23 0.96 5.37 0.00 -1.08 -0.03 103.07 110.30 3kqn h GLY 304 Ca 0.17 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.94 3kqn h GLY 304 CO 0.01 0.54 0.18 -0.84 0.00 0.00 0.00 176.54 176.43 3kqn h THR 305 N 1.15 1.05 -0.01 4.70 2.02 -0.79 -1.94 112.91 119.09 3kqn h THR 305 Ca 0.29 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3kqn h THR 305 Cb 0.05 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3kqn h THR 305 CO -0.04 0.07 0.01 0.58 0.37 0.00 0.00 175.52 176.50 3kqn h VAL 306 N 0.37 1.02 0.00 3.16 2.07 -0.83 0.11 116.25 122.14 3kqn h VAL 306 Ca 0.11 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3kqn h VAL 306 Cb -0.02 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kqn h VAL 306 CO -0.04 0.01 0.05 -0.07 0.02 0.00 0.00 177.57 177.54 3kqn h LEU 307 N -0.00 0.00 0.00 2.57 3.38 -0.75 0.92 115.31 121.43 3kqn h LEU 307 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3kqn h LEU 307 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3kqn h LEU 307 CO -0.00 0.00 -2.00 -0.67 0.09 0.00 0.00 178.44 175.86 3kqn n ASP 308 N -2.94 0.72 -0.01 -0.43 2.03 -0.75 -4.68 116.55 110.48 3kqn n ASP 308 Ca -0.03 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.32 3kqn n ASP 308 Cb 0.11 1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 41.88 3kqn n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqn n GLN 309 N -2.36 0.73 -0.17 -0.67 6.02 0.30 -4.76 117.38 116.47 3kqn n GLN 309 Ca -0.14 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.64 3kqn n GLN 309 Cb 0.74 -1.25 -0.10 0.00 1.02 0.00 0.00 30.24 30.65 3kqn n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqn h ALA 310 N 0.88 -0.74 -0.42 -1.58 0.00 -1.02 0.12 119.26 116.49 3kqn h ALA 310 Ca -0.05 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kqn h ALA 310 Cb 0.71 1.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 3kqn h ALA 310 CO 0.00 -1.02 0.14 1.49 0.00 0.00 0.00 179.25 179.87 3kqn h GLU 311 N -0.34 0.30 -0.02 0.00 4.81 -1.82 -1.17 114.58 116.34 3kqn h GLU 311 Ca 0.08 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3kqn h GLU 311 Cb 0.55 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3kqn h GLU 311 CO -0.62 0.20 -0.19 1.15 -0.73 0.00 0.00 179.01 178.81 3kqn h THR 312 N 0.31 1.15 0.00 0.32 2.02 -1.74 -1.45 112.91 113.53 3kqn h THR 312 Ca 0.20 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3kqn h THR 312 Cb 0.19 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3kqn h THR 312 CO -0.20 0.21 0.00 0.00 0.37 0.00 0.00 175.52 175.90 3kqn n ALA 313 N -2.50 2.19 -0.18 6.16 0.00 0.36 -4.85 120.51 121.70 3kqn n ALA 313 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3kqn n ALA 313 Cb 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3kqn n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqn n GLY 314 N 0.85 0.75 3.75 0.00 0.00 -0.54 0.62 105.19 110.61 3kqn n GLY 314 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3kqn n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqn s ALA 315 N -2.18 3.39 -0.57 4.61 0.00 -0.73 -4.75 121.76 121.53 3kqn s ALA 315 Ca 0.00 0.84 0.22 0.00 0.00 0.00 0.00 51.96 53.02 3kqn s ALA 315 Cb 0.00 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 3kqn s ALA 315 CO 0.00 -0.17 0.85 0.54 0.00 0.00 0.00 175.76 176.97 3kqn n ARG 316 N 1.91 0.31 -3.77 0.00 1.74 -0.19 -4.32 116.66 112.34 3kqn n ARG 316 Ca 0.01 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 3kqn n ARG 316 Cb 0.46 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 3kqn n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kqn s LEU 317 N -3.83 0.84 -0.10 0.55 2.96 -0.96 -1.90 118.68 116.23 3kqn s LEU 317 Ca 0.02 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 3kqn s LEU 317 Cb 0.15 0.77 0.01 0.00 0.50 0.00 0.00 46.19 47.62 3kqn s LEU 317 CO 0.85 -0.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.89 3kqn s VAL 318 N 0.57 1.66 -0.12 1.68 1.01 -0.44 -1.40 120.40 123.35 3kqn s VAL 318 Ca -0.04 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3kqn s VAL 318 Cb -0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3kqn s VAL 318 CO -0.03 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 3kqn s VAL 319 N 0.66 2.87 -0.55 2.92 1.01 -0.29 -0.12 120.40 126.90 3kqn s VAL 319 Ca -0.13 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3kqn s VAL 319 Cb -0.16 -2.18 0.14 0.00 0.00 0.00 0.00 36.38 34.17 3kqn s VAL 319 CO 0.03 0.53 0.47 -0.76 0.00 0.00 0.00 175.10 175.38 3kqn s LEU 320 N 0.28 6.02 -0.12 3.92 1.43 0.01 0.18 118.68 130.40 3kqn s LEU 320 Ca -0.11 -2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 50.92 3kqn s LEU 320 Cb -0.16 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3kqn s LEU 320 CO 0.06 -0.73 0.09 0.00 0.23 0.00 0.00 176.35 176.00 3kqn s ALA 321 N 1.24 3.65 -0.19 4.21 0.00 -0.84 -1.71 121.76 128.12 3kqn s ALA 321 Ca 0.07 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 3kqn s ALA 321 Cb -0.26 -1.85 0.14 0.00 0.00 0.00 0.00 23.12 21.16 3kqn s ALA 321 CO -0.00 0.53 1.08 -0.08 0.00 0.00 0.00 175.76 177.29 3kqn s THR 322 N -0.73 0.00 -0.97 0.00 -1.32 -0.86 -0.87 115.64 110.89 3kqn s THR 322 Ca 0.13 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.86 3kqn s THR 322 Cb -0.12 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 3kqn s THR 322 CO 0.03 0.00 1.43 0.00 -2.21 0.00 0.00 174.62 173.87 3kqn n ALA 323 N 0.67 3.45 -3.36 11.08 0.00 -1.24 -3.36 120.51 127.75 3kqn n ALA 323 Ca -0.08 -0.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.77 3kqn n ALA 323 Cb 0.58 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 3kqn n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kqn n THR 324 N -1.54 0.27 -0.77 0.00 -2.24 -1.26 -4.72 114.28 104.02 3kqn n THR 324 Ca 0.05 -4.32 -0.32 0.00 -2.27 0.00 0.00 64.05 57.19 3kqn n THR 324 Cb 0.34 -1.97 0.16 0.00 -2.10 0.00 0.00 70.33 66.76 3kqn n THR 324 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3kqn n PRO 325 N 1.55 -0.32 -0.01 -0.78 -0.04 -1.26 -4.80 135.00 129.33 3kqn n PRO 325 Ca 0.25 -0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3kqn n PRO 325 Cb 0.47 -2.35 -0.00 0.00 -0.04 0.00 0.00 33.50 31.58 3kqn n PRO 325 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kqn n PRO 326 N -3.85 -0.01 -0.36 0.54 -0.02 -1.26 -0.78 135.00 129.26 3kqn n PRO 326 Ca 0.12 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 62.00 3kqn n PRO 326 Cb 0.52 -0.65 0.10 0.00 -0.02 0.00 0.00 33.50 33.45 3kqn n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqn n GLY 327 N -1.01 2.39 3.80 -1.23 0.00 -1.26 -2.13 105.19 105.75 3kqn n GLY 327 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3kqn n GLY 327 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kqn s SER 328 N -0.03 7.15 0.06 1.61 1.04 0.04 -4.99 113.70 118.60 3kqn s SER 328 Ca 0.19 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.39 3kqn s SER 328 Cb 0.15 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 3kqn s SER 328 CO 0.05 -0.14 -0.17 0.54 0.98 0.00 0.00 173.24 174.50 3kqn s VAL 329 N -1.78 2.91 0.09 5.02 0.11 -1.26 -4.62 120.40 120.88 3kqn s VAL 329 Ca 0.53 -1.25 -0.32 0.00 -2.93 0.00 0.00 61.98 58.00 3kqn s VAL 329 Cb -0.15 -2.27 -0.12 0.00 -1.53 0.00 0.00 36.38 32.31 3kqn s VAL 329 CO 0.20 0.26 1.79 0.41 -3.33 0.00 0.00 175.10 174.42 3kqn n THR 330 N 1.27 0.32 -4.38 5.04 -1.04 -1.26 -4.99 114.28 109.24 3kqn n THR 330 Ca -0.16 -0.06 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 3kqn n THR 330 Cb 0.52 -1.95 -0.12 0.00 -1.82 0.00 0.00 70.33 66.97 3kqn n THR 330 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3kqn s VAL 331 N 2.54 2.48 0.25 12.58 -7.23 -1.26 -5.10 120.40 124.66 3kqn s VAL 331 Ca 0.83 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.89 3kqn s VAL 331 Cb -0.56 -2.15 -0.14 0.00 0.56 0.00 0.00 36.38 34.09 3kqn s VAL 331 CO 0.40 0.00 1.28 -2.65 -0.31 0.00 0.00 175.10 173.82 3kqn n PRO 332 N 0.59 1.75 -4.12 4.82 -0.02 -1.26 -4.98 135.00 131.78 3kqn n PRO 332 Ca -0.15 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 3kqn n PRO 332 Cb 0.54 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 3kqn n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqn s HIS 333 N -0.38 3.15 0.47 6.00 2.46 -1.26 -5.01 115.29 120.73 3kqn s HIS 333 Ca 0.66 -0.12 0.22 0.00 0.47 0.00 0.00 55.06 56.29 3kqn s HIS 333 Cb -0.69 -2.05 1.23 0.00 -0.13 0.00 0.00 32.58 30.94 3kqn s HIS 333 CO 0.53 0.03 1.92 -1.00 -2.47 0.00 0.00 174.74 173.76 3kqn h PRO 334 N 6.87 0.21 -0.02 2.88 0.13 -1.98 -2.28 132.00 137.82 3kqn h PRO 334 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kqn h PRO 334 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3kqn h PRO 334 CO 0.66 0.14 -0.21 0.09 -0.23 0.00 0.00 178.00 178.45 3kqn n ASN 335 N -4.42 2.26 -4.12 1.44 5.03 -1.26 -4.91 115.26 109.28 3kqn n ASN 335 Ca 0.15 -1.64 -0.33 0.00 0.87 0.00 0.00 54.58 53.62 3kqn n ASN 335 Cb 0.66 0.20 -0.15 0.00 -1.02 0.00 0.00 39.78 39.47 3kqn n ASN 335 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kqn s ILE 336 N -2.24 2.43 -0.08 2.41 1.01 -0.86 0.33 121.20 124.21 3kqn s ILE 336 Ca 0.25 -1.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 3kqn s ILE 336 Cb 0.19 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3kqn s ILE 336 CO 0.43 0.10 0.81 -0.70 0.00 0.00 0.00 174.94 175.58 3kqn s GLU 337 N 1.20 4.43 -0.34 2.79 2.12 -0.46 -4.60 118.70 123.84 3kqn s GLU 337 Ca -0.04 1.05 -0.12 0.00 0.36 0.00 0.00 54.97 56.23 3kqn s GLU 337 Cb -0.18 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.72 3kqn s GLU 337 CO -0.06 -0.08 0.21 -1.21 -0.54 0.00 0.00 175.26 173.58 3kqn s GLU 338 N 1.26 3.27 -0.18 4.30 2.02 -1.26 -0.94 118.70 127.16 3kqn s GLU 338 Ca 0.41 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.62 3kqn s GLU 338 Cb -0.18 -3.73 0.02 0.00 0.10 0.00 0.00 34.13 30.33 3kqn s GLU 338 CO 0.19 -0.51 -0.18 0.08 0.02 0.00 0.00 175.26 174.86 3kqn s VAL 339 N 1.65 2.24 0.42 2.63 1.01 0.27 -4.97 120.40 123.65 3kqn s VAL 339 Ca 0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 3kqn s VAL 339 Cb -0.18 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 3kqn s VAL 339 CO 0.08 0.53 1.19 0.00 0.00 0.00 0.00 175.10 176.90 3kqn s ALA 340 N 1.27 3.12 0.59 5.51 0.00 -1.26 -2.90 121.76 128.08 3kqn s ALA 340 Ca 0.04 1.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.91 3kqn s ALA 340 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3kqn s ALA 340 CO -0.11 -0.61 0.96 -0.51 0.00 0.00 0.00 175.76 175.49 3kqn s LEU 341 N -2.62 3.30 0.00 0.00 1.43 -0.23 -4.84 118.68 115.72 3kqn s LEU 341 Ca 0.59 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 3kqn s LEU 341 Cb -0.31 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.73 3kqn s LEU 341 CO 0.39 -0.86 0.00 -1.54 0.23 0.00 0.00 176.35 174.57 3kqn n SER 342 N -2.63 1.28 0.01 2.29 3.41 -1.26 -4.93 113.62 111.79 3kqn n SER 342 Ca 0.04 -0.23 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 3kqn n SER 342 Cb 0.55 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.85 3kqn n SER 342 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqn n SER 343 N -0.40 0.40 -4.71 4.04 3.41 -1.26 -1.60 113.62 113.50 3kqn n SER 343 Ca 0.00 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3kqn n SER 343 Cb 0.00 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 3kqn n SER 343 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kqn s THR 344 N -3.03 4.89 0.00 6.66 2.01 -1.26 -4.55 115.64 120.36 3kqn s THR 344 Ca 0.11 1.96 0.00 0.00 0.31 0.00 0.00 61.69 64.07 3kqn s THR 344 Cb 0.17 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.41 3kqn s THR 344 CO 0.65 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 3kqn n GLY 345 N 2.91 4.32 0.50 4.40 0.00 -1.26 -4.20 105.19 111.87 3kqn n GLY 345 Ca 0.05 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.20 3kqn n GLY 345 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kqn n GLU 346 N -1.65 1.66 -4.01 1.61 0.00 -1.21 -4.67 120.64 112.38 3kqn n GLU 346 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 57.16 55.86 3kqn n GLU 346 Cb 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 31.44 29.89 3kqn n GLU 346 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kqn s ILE 347 N -1.84 1.97 0.30 3.84 1.01 -1.08 -4.97 121.20 120.43 3kqn s ILE 347 Ca 0.33 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.00 3kqn s ILE 347 Cb 0.18 -2.22 -0.12 0.00 0.01 0.00 0.00 42.46 40.31 3kqn s ILE 347 CO 0.27 -0.21 1.52 -2.65 0.00 0.00 0.00 174.94 173.87 3kqn n PRO 348 N 4.47 2.54 -3.31 2.79 -0.02 -1.26 0.12 135.00 140.33 3kqn n PRO 348 Ca -0.09 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 3kqn n PRO 348 Cb 0.43 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 3kqn n PRO 348 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3kqn s PHE 349 N -0.32 -1.01 -1.50 6.00 5.36 0.18 -4.82 117.98 121.88 3kqn s PHE 349 Ca 0.62 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 57.09 3kqn s PHE 349 Cb -0.52 -0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.10 3kqn s PHE 349 CO 0.53 -0.92 0.26 0.66 -1.46 0.00 0.00 175.22 174.29 3kqn n TYR 350 N 5.36 -1.47 0.00 10.12 4.02 -1.26 -0.22 117.16 133.71 3kqn n TYR 350 Ca -0.00 0.69 0.00 0.00 -0.01 0.00 0.00 57.90 58.58 3kqn n TYR 350 Cb 0.50 -3.24 0.00 0.00 -0.02 0.00 0.00 39.34 36.57 3kqn n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kqn n GLY 351 N -2.19 2.72 0.00 2.72 0.00 -1.26 -4.99 105.19 102.19 3kqn n GLY 351 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3kqn n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqn n LYS 352 N -2.00 3.61 -3.93 1.61 4.01 0.69 -4.93 118.16 117.23 3kqn n LYS 352 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 3kqn n LYS 352 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 3kqn n LYS 352 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqn s ALA 353 N -2.00 -0.01 -0.17 7.82 0.00 -0.63 0.48 121.76 127.25 3kqn s ALA 353 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3kqn s ALA 353 Cb 0.00 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3kqn s ALA 353 CO 0.00 -0.45 -0.17 0.42 0.00 0.00 0.00 175.76 175.56 3kqn s ILE 354 N -3.74 2.42 0.11 0.00 1.01 0.12 -4.35 121.20 116.76 3kqn s ILE 354 Ca 0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3kqn s ILE 354 Cb 0.05 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.44 3kqn s ILE 354 CO -0.10 0.52 1.19 -2.84 0.00 0.00 0.00 174.94 173.71 3kqn s PRO 355 N 1.03 4.46 0.33 2.79 0.02 -1.26 -2.64 135.00 139.73 3kqn s PRO 355 Ca -0.01 1.80 0.04 0.00 0.02 0.00 0.00 61.00 62.84 3kqn s PRO 355 Cb -0.15 -3.31 0.65 0.00 0.02 0.00 0.00 34.50 31.71 3kqn s PRO 355 CO -0.05 -0.18 1.93 0.82 -0.33 0.00 0.00 177.00 179.20 3kqn h ILE 356 N 4.22 1.03 0.00 2.83 2.04 -1.95 -0.29 117.51 125.40 3kqn h ILE 356 Ca -0.43 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3kqn h ILE 356 Cb 1.21 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3kqn h ILE 356 CO 0.79 0.16 0.00 -1.84 0.00 0.00 0.00 178.15 177.26 3kqn n GLU 357 N -4.49 0.12 0.21 2.37 0.00 -1.26 -0.37 120.64 117.22 3kqn n GLU 357 Ca 0.12 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.85 3kqn n GLU 357 Cb 0.22 -1.76 0.24 0.00 0.00 0.00 0.00 31.44 30.14 3kqn n GLU 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kqn h THR 358 N 0.00 0.00 0.00 3.84 1.03 -1.43 -3.34 112.91 113.01 3kqn h THR 358 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 66.41 65.51 3kqn h THR 358 Cb 0.22 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 3kqn h THR 358 CO 0.00 0.00 0.00 2.30 -0.01 0.00 0.00 175.52 177.81 3kqn n ILE 359 N -2.99 0.00 -2.24 0.00 -5.35 -0.55 -5.01 119.36 103.22 3kqn n ILE 359 Ca 0.04 -0.30 -0.43 0.00 -0.27 0.00 0.00 62.75 61.79 3kqn n ILE 359 Cb 0.50 1.20 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 3kqn n ILE 359 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3kqn s LYS 360 N -0.30 3.66 0.00 6.28 2.20 0.50 -4.65 119.74 127.44 3kqn s LYS 360 Ca 0.00 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 3kqn s LYS 360 Cb 0.00 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 3kqn s LYS 360 CO 0.00 -1.45 0.00 0.41 -0.36 0.00 0.00 175.35 173.95 3kqn n GLY 361 N 4.87 -1.96 0.94 5.54 0.00 -1.26 -4.94 105.19 108.38 3kqn n GLY 361 Ca 0.18 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3kqn n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqn n GLY 362 N -0.33 -2.84 3.36 -0.02 0.00 -1.26 -4.95 105.19 99.15 3kqn n GLY 362 Ca 0.00 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 3kqn n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqn s ARG 363 N -0.52 3.06 -0.01 1.61 0.52 -1.26 -1.59 118.95 120.76 3kqn s ARG 363 Ca 0.00 -0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3kqn s ARG 363 Cb 0.00 -2.48 -0.00 0.00 0.52 0.00 0.00 34.95 32.99 3kqn s ARG 363 CO 0.00 0.32 0.07 -1.01 0.02 0.00 0.00 175.30 174.70 3kqn s HIS 364 N 0.06 0.04 -0.13 -0.53 3.76 -0.28 0.08 115.29 118.29 3kqn s HIS 364 Ca -0.06 -0.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3kqn s HIS 364 Cb -0.15 -0.05 -0.00 0.00 1.11 0.00 0.00 32.58 33.49 3kqn s HIS 364 CO 0.05 -0.16 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.43 3kqn s LEU 365 N -0.78 2.34 -0.19 0.89 2.96 -0.41 -0.53 118.68 122.96 3kqn s LEU 365 Ca -0.09 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3kqn s LEU 365 Cb -0.05 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3kqn s LEU 365 CO 0.00 0.12 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.38 3kqn s ILE 366 N 0.62 2.64 -0.10 6.68 1.01 0.95 -0.73 121.20 132.26 3kqn s ILE 366 Ca -0.10 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 3kqn s ILE 366 Cb -0.16 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3kqn s ILE 366 CO 0.03 0.49 0.47 -0.36 0.00 0.00 0.00 174.94 175.57 3kqn s PHE 367 N 1.25 3.55 0.03 3.97 0.40 0.35 -0.58 117.98 126.94 3kqn s PHE 367 Ca 0.03 0.91 0.06 0.00 -0.60 0.00 0.00 56.93 57.33 3kqn s PHE 367 Cb -0.14 -2.52 -0.02 0.00 0.51 0.00 0.00 43.02 40.85 3kqn s PHE 367 CO -0.07 0.24 -0.17 0.00 0.70 0.00 0.00 175.22 175.92 3kqn h HIS 369 N 5.06 0.00 -3.65 0.00 2.07 -1.87 -3.36 115.15 113.40 3kqn h HIS 369 Ca -0.39 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 56.86 3kqn h HIS 369 Cb 1.17 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.00 3kqn h HIS 369 CO 0.49 0.10 -0.71 -1.54 -3.07 0.00 0.00 177.93 173.21 3kqn s SER 370 N -5.96 1.41 0.15 3.10 1.04 -1.26 -4.47 113.70 107.70 3kqn s SER 370 Ca -0.02 -0.99 -0.14 0.00 0.48 0.00 0.00 55.95 55.29 3kqn s SER 370 Cb 0.12 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3kqn s SER 370 CO 0.56 -0.39 1.69 0.11 0.98 0.00 0.00 173.24 176.18 3kqn h LYS 371 N 2.97 0.77 -0.65 4.02 1.57 -1.98 -2.49 116.57 120.78 3kqn h LYS 371 Ca -0.36 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.32 3kqn h LYS 371 Cb 1.18 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 3kqn h LYS 371 CO 0.63 0.71 0.36 -0.22 -0.57 0.00 0.00 179.45 180.35 3kqn h LYS 372 N 0.68 0.65 -0.52 3.15 3.64 -1.99 -1.40 116.57 120.76 3kqn h LYS 372 Ca 0.16 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3kqn h LYS 372 Cb 0.25 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3kqn h LYS 372 CO -0.01 0.43 0.08 -0.22 -2.27 0.00 0.00 179.45 177.46 3kqn h LYS 373 N 0.66 0.83 -0.33 1.90 1.63 -1.93 -1.76 116.57 117.58 3kqn h LYS 373 Ca 0.29 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3kqn h LYS 373 Cb 0.18 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 3kqn h LYS 373 CO -0.18 0.79 0.21 0.00 -3.45 0.00 0.00 179.45 176.82 3kqn h ASP 375 N 0.44 0.69 -0.37 0.00 3.45 -1.03 -0.80 116.42 118.80 3kqn h ASP 375 Ca 0.12 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.40 3kqn h ASP 375 Cb -0.03 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 3kqn h ASP 375 CO -0.02 0.65 0.11 -0.33 -1.57 0.00 0.00 179.24 178.07 3kqn h GLU 376 N 0.69 0.59 -0.12 3.56 5.08 -1.02 -1.33 114.58 122.02 3kqn h GLU 376 Ca 0.17 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3kqn h GLU 376 Cb 0.16 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kqn h GLU 376 CO -0.02 0.61 -0.01 1.25 -1.00 0.00 0.00 179.01 179.84 3kqn h LEU 377 N 0.45 0.22 -0.62 1.33 6.46 -0.88 -0.47 115.31 121.80 3kqn h LEU 377 Ca 0.12 -0.34 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 3kqn h LEU 377 Cb 0.28 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.08 3kqn h LEU 377 CO -0.00 0.51 0.28 0.00 -0.62 0.00 0.00 178.44 178.60 3kqn h ALA 378 N 0.72 0.82 -0.28 1.25 0.00 -1.11 0.16 119.26 120.81 3kqn h ALA 378 Ca 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kqn h ALA 378 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kqn h ALA 378 CO 0.01 -0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.31 3kqn h ALA 379 N 1.38 0.36 -0.43 0.00 0.00 -1.09 0.23 119.26 119.72 3kqn h ALA 379 Ca 0.30 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3kqn h ALA 379 Cb 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3kqn h ALA 379 CO -0.25 -0.12 0.13 -0.22 0.00 0.00 0.00 179.25 178.78 3kqn h LYS 380 N 0.34 0.28 -0.35 0.00 1.63 -0.09 -0.17 116.57 118.21 3kqn h LYS 380 Ca 0.10 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 3kqn h LYS 380 Cb 0.04 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3kqn h LYS 380 CO -0.02 0.18 0.00 -0.07 -3.45 0.00 0.00 179.45 176.10 3kqn h LEU 381 N 0.29 0.61 -1.27 5.20 3.38 -0.37 -2.83 115.31 120.31 3kqn h LEU 381 Ca 0.20 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kqn h LEU 381 Cb 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3kqn h LEU 381 CO -0.22 0.76 0.50 0.28 0.09 0.00 0.00 178.44 179.85 3kqn h SER 382 N 0.43 0.84 0.66 -0.43 0.02 -0.17 -0.49 113.55 114.42 3kqn h SER 382 Ca 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kqn h SER 382 Cb 0.45 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3kqn h SER 382 CO 0.02 0.60 0.00 1.23 -1.14 0.00 0.00 176.83 177.54 3kqn h GLY 383 N 0.99 0.00 -1.17 -3.77 0.00 -0.80 -1.63 103.07 96.69 3kqn h GLY 383 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3kqn h GLY 383 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 3kqn n LEU 384 N -3.02 1.98 0.00 3.11 4.32 -0.22 -4.90 117.00 118.27 3kqn n LEU 384 Ca -0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 56.01 55.09 3kqn n LEU 384 Cb 0.22 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 3kqn n LEU 384 CO 0.24 0.45 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 3kqn n GLY 385 N 1.16 0.59 3.89 -0.72 0.00 -0.61 -5.06 105.19 104.43 3kqn n GLY 385 Ca 0.15 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3kqn n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqn s LEU 386 N 0.00 4.23 -0.82 0.99 1.43 -1.05 -5.03 118.68 118.43 3kqn s LEU 386 Ca 0.00 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 3kqn s LEU 386 Cb 0.00 -2.85 0.07 0.00 0.03 0.00 0.00 46.19 43.44 3kqn s LEU 386 CO 0.00 0.17 1.19 0.21 0.23 0.00 0.00 176.35 178.15 3kqn s ASN 387 N -2.48 6.34 0.01 2.29 2.47 -1.26 -3.95 114.94 118.35 3kqn s ASN 387 Ca 0.34 -1.18 0.07 0.00 0.42 0.00 0.00 52.86 52.51 3kqn s ASN 387 Cb -0.13 -2.48 -0.02 0.00 -1.45 0.00 0.00 41.25 37.17 3kqn s ASN 387 CO 0.27 -1.48 -0.22 0.00 -3.72 0.00 0.00 177.10 171.95 3kqn s ALA 388 N 4.41 1.86 0.02 1.71 0.00 -1.26 -0.46 121.76 128.03 3kqn s ALA 388 Ca 0.33 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3kqn s ALA 388 Cb -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3kqn s ALA 388 CO 0.03 0.44 -0.04 0.14 0.00 0.00 0.00 175.76 176.33 3kqn s VAL 389 N -0.63 0.27 0.09 0.00 -7.23 -0.42 -4.81 120.40 107.66 3kqn s VAL 389 Ca 0.09 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 3kqn s VAL 389 Cb -0.09 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 3kqn s VAL 389 CO 0.00 -0.24 0.25 0.00 -0.31 0.00 0.00 175.10 174.81 3kqn s ALA 390 N -0.86 3.96 -0.13 1.32 0.00 -1.26 -0.66 121.76 124.13 3kqn s ALA 390 Ca -0.07 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 3kqn s ALA 390 Cb -0.06 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.21 3kqn s ALA 390 CO -0.00 0.77 0.33 -0.47 0.00 0.00 0.00 175.76 176.39 3kqn s TYR 391 N -1.57 -0.42 0.17 0.00 6.14 -0.42 -4.89 117.35 116.36 3kqn s TYR 391 Ca 0.36 0.97 -0.24 0.00 0.64 0.00 0.00 57.07 58.80 3kqn s TYR 391 Cb -0.13 0.14 0.06 0.00 0.42 0.00 0.00 41.96 42.46 3kqn s TYR 391 CO 0.27 -0.24 0.96 1.52 0.64 0.00 0.00 175.55 178.70 3kqn s TYR 392 N 0.78 -0.10 0.00 4.97 1.13 -1.26 -2.97 117.35 119.91 3kqn s TYR 392 Ca -0.05 -0.24 -0.37 0.00 -1.41 0.00 0.00 57.07 55.00 3kqn s TYR 392 Cb -0.06 0.66 -0.15 0.00 -1.10 0.00 0.00 41.96 41.30 3kqn s TYR 392 CO -0.05 -0.88 1.53 -2.13 -2.51 0.00 0.00 175.55 171.50 3kqn n ARG 393 N -0.50 1.44 0.00 -3.49 0.00 -1.26 -1.86 116.66 110.99 3kqn n ARG 393 Ca -0.06 0.52 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 3kqn n ARG 393 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 32.46 30.85 3kqn n ARG 393 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kqn n GLY 394 N 3.25 1.47 3.92 5.14 0.00 -1.26 -5.08 105.19 112.62 3kqn n GLY 394 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 3kqn n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqn s LEU 395 N 0.00 3.99 0.19 0.99 1.43 -0.78 -5.05 118.68 119.45 3kqn s LEU 395 Ca 0.00 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 3kqn s LEU 395 Cb 0.00 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 3kqn s LEU 395 CO 0.00 -0.28 1.13 -0.62 0.23 0.00 0.00 176.35 176.81 3kqn s ASP 396 N -3.64 7.20 0.61 2.29 2.15 -1.26 -4.87 116.67 119.15 3kqn s ASP 396 Ca 0.43 2.16 0.32 0.00 0.43 0.00 0.00 52.55 55.89 3kqn s ASP 396 Cb -0.10 -2.61 1.88 0.00 -0.30 0.00 0.00 42.92 41.79 3kqn s ASP 396 CO 0.34 -0.27 2.22 0.58 -0.17 0.00 0.00 175.17 177.88 3kqn h VAL 397 N 3.67 0.39 0.00 1.11 2.07 -1.96 -1.62 116.25 119.91 3kqn h VAL 397 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3kqn h VAL 397 Cb 1.21 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3kqn h VAL 397 CO 0.72 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.11 3kqn n SER 398 N -3.65 0.61 0.30 0.57 7.64 -1.26 -2.33 113.62 115.50 3kqn n SER 398 Ca -0.02 0.71 0.19 0.00 1.01 0.00 0.00 58.87 60.76 3kqn n SER 398 Cb 0.16 -0.82 0.91 0.00 -1.01 0.00 0.00 64.21 63.46 3kqn n SER 398 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3kqn h VAL 399 N 0.00 0.00 -3.59 0.44 -1.51 -1.68 -3.39 116.25 106.51 3kqn h VAL 399 Ca 0.00 -0.26 -0.66 0.00 -1.23 0.00 0.00 66.70 64.55 3kqn h VAL 399 Cb 0.20 1.23 -0.16 0.00 -2.13 0.00 0.00 31.29 30.44 3kqn h VAL 399 CO 0.00 0.00 -0.04 -0.63 -1.23 0.00 0.00 177.57 175.67 3kqn s ILE 400 N -3.86 4.99 0.36 7.19 1.01 -0.98 -4.96 121.20 124.95 3kqn s ILE 400 Ca -0.02 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3kqn s ILE 400 Cb 0.11 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.45 3kqn s ILE 400 CO 0.47 -0.33 1.38 -2.16 0.00 0.00 0.00 174.94 174.30 3kqn s PRO 401 N 2.43 4.20 0.26 2.79 0.04 -1.26 -4.93 135.00 138.54 3kqn s PRO 401 Ca 0.18 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.59 3kqn s PRO 401 Cb -0.15 -2.98 0.35 0.00 0.04 0.00 0.00 34.50 31.75 3kqn s PRO 401 CO 0.14 -0.37 1.67 1.15 0.04 0.00 0.00 177.00 179.63 3kqn h THR 402 N 2.93 1.29 -4.65 1.26 2.02 -1.96 -3.46 112.91 110.33 3kqn h THR 402 Ca -0.50 -1.43 -0.44 0.00 0.77 0.00 0.00 66.41 64.81 3kqn h THR 402 Cb 1.23 1.50 -0.13 0.00 -1.74 0.00 0.00 68.15 69.01 3kqn h THR 402 CO 0.64 0.45 -0.51 -0.94 0.37 0.00 0.00 175.52 175.53 3kqn s SER 403 N -6.84 1.54 0.05 4.18 1.04 -1.26 -4.99 113.70 107.42 3kqn s SER 403 Ca -0.06 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.67 3kqn s SER 403 Cb 0.13 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3kqn s SER 403 CO 0.80 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3kqn n GLY 404 N -0.59 -2.70 3.66 7.32 0.00 -1.26 -4.91 105.19 106.70 3kqn n GLY 404 Ca 0.05 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.22 3kqn n GLY 404 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqn n ASP 405 N -2.13 2.49 -3.58 1.61 9.92 -1.26 -4.78 116.55 118.82 3kqn n ASP 405 Ca -0.01 1.15 -0.10 0.00 -0.53 0.00 0.00 54.79 55.30 3kqn n ASP 405 Cb 0.05 -1.40 -0.05 0.00 -0.64 0.00 0.00 41.12 39.09 3kqn n ASP 405 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kqn s VAL 406 N -0.23 0.00 -0.24 2.53 0.11 -0.62 -4.84 120.40 117.11 3kqn s VAL 406 Ca 0.67 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.73 3kqn s VAL 406 Cb -0.67 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.24 3kqn s VAL 406 CO 0.52 0.00 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.59 3kqn s ILE 407 N -1.24 1.68 -0.12 7.04 1.01 0.39 -1.12 121.20 128.85 3kqn s ILE 407 Ca -0.01 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 3kqn s ILE 407 Cb -0.00 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3kqn s ILE 407 CO 0.01 -0.07 0.36 -0.69 0.00 0.00 0.00 174.94 174.55 3kqn s VAL 408 N 1.33 5.23 -0.27 2.92 1.01 0.31 -1.30 120.40 129.62 3kqn s VAL 408 Ca -0.06 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 3kqn s VAL 408 Cb -0.19 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3kqn s VAL 408 CO -0.06 0.42 -0.04 -0.69 0.00 0.00 0.00 175.10 174.73 3kqn s VAL 409 N 0.17 2.91 0.20 2.92 1.01 0.17 -0.04 120.40 127.73 3kqn s VAL 409 Ca 0.20 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3kqn s VAL 409 Cb -0.14 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3kqn s VAL 409 CO 0.07 0.06 0.06 0.00 0.00 0.00 0.00 175.10 175.29 3kqn s ALA 410 N 1.29 1.38 0.54 5.51 0.00 0.25 -1.30 121.76 129.44 3kqn s ALA 410 Ca -0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.25 3kqn s ALA 410 Cb -0.18 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.86 3kqn s ALA 410 CO -0.03 -0.43 0.31 0.25 0.00 0.00 0.00 175.76 175.86 3kqn n THR 411 N -0.30 0.00 0.36 0.00 -2.24 -1.16 -1.09 114.28 109.85 3kqn n THR 411 Ca -0.03 -0.45 0.01 0.00 -2.27 0.00 0.00 64.05 61.31 3kqn n THR 411 Cb 0.65 -1.30 0.04 0.00 -2.10 0.00 0.00 70.33 67.61 3kqn n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kqn n ASP 412 N -3.00 0.00 0.24 3.42 8.00 -1.26 -2.30 116.55 121.65 3kqn n ASP 412 Ca 0.05 -0.32 0.17 0.00 0.71 0.00 0.00 54.79 55.40 3kqn n ASP 412 Cb 0.18 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 42.00 3kqn n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqn h ALA 413 N 1.58 1.00 -0.10 2.24 0.00 -1.90 -2.13 119.26 119.95 3kqn h ALA 413 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kqn h ALA 413 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kqn h ALA 413 CO 0.00 0.00 -0.03 1.28 0.00 0.00 0.00 179.25 180.50 3kqn n LEU 414 N -2.82 2.93 -0.01 0.00 4.77 -0.97 -4.72 117.00 116.17 3kqn n LEU 414 Ca 0.00 -3.15 -0.16 0.00 -0.03 0.00 0.00 56.01 52.67 3kqn n LEU 414 Cb 0.22 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 3kqn n LEU 414 CO 0.23 0.77 0.30 -0.03 -1.33 0.00 0.00 177.39 177.32 3kqn h MET 415 N 0.66 0.73 -6.12 3.23 4.05 -1.57 -3.45 114.93 112.46 3kqn h MET 415 Ca 0.01 -0.59 -0.58 0.00 -0.28 0.00 0.00 59.70 58.26 3kqn h MET 415 Cb 1.17 0.12 -0.15 0.00 -0.80 0.00 0.00 31.60 31.94 3kqn h MET 415 CO 0.09 1.20 -0.76 0.95 0.23 0.00 0.00 176.91 178.61 3kqn s THR 416 N -3.76 2.30 0.00 -0.77 -4.23 -1.26 -3.98 115.64 103.93 3kqn s THR 416 Ca -0.09 -2.31 0.00 0.00 -1.18 0.00 0.00 61.69 58.11 3kqn s THR 416 Cb 0.09 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3kqn s THR 416 CO 0.89 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 3kqn n GLY 417 N -0.43 0.62 3.75 3.99 0.00 -1.26 -4.79 105.19 107.07 3kqn n GLY 417 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3kqn n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqn s PHE 418 N 0.00 2.82 -0.30 1.61 5.36 -1.26 -4.87 117.98 121.34 3kqn s PHE 418 Ca 0.00 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 56.89 3kqn s PHE 418 Cb 0.00 -3.99 0.07 0.00 -0.34 0.00 0.00 43.02 38.76 3kqn s PHE 418 CO 0.00 -3.26 -0.03 0.99 -1.46 0.00 0.00 175.22 171.46 3kqn s THR 419 N -0.12 2.37 -1.91 0.12 2.01 -1.26 -4.81 115.64 112.04 3kqn s THR 419 Ca 0.61 -1.84 0.18 0.00 0.31 0.00 0.00 61.69 60.94 3kqn s THR 419 Cb -0.46 -2.52 0.31 0.00 0.01 0.00 0.00 72.50 69.85 3kqn s THR 419 CO 0.48 -0.25 1.24 0.61 -0.69 0.00 0.00 174.62 176.01 3kqn n GLY 420 N 4.41 1.45 3.40 4.40 0.00 -1.26 -4.97 105.19 112.62 3kqn n GLY 420 Ca -0.08 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 3kqn n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqn n ASP 421 N 1.09 -2.88 -4.81 1.61 4.64 -1.26 -4.98 116.55 109.96 3kqn n ASP 421 Ca 0.15 -0.64 -0.38 0.00 -1.38 0.00 0.00 54.79 52.53 3kqn n ASP 421 Cb 0.49 -5.12 -0.06 0.00 -1.04 0.00 0.00 41.12 35.39 3kqn n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kqn s PHE 422 N -3.37 3.74 -0.28 -0.67 0.08 -1.26 -4.76 117.98 111.45 3kqn s PHE 422 Ca 0.09 1.10 0.20 0.00 0.12 0.00 0.00 56.93 58.43 3kqn s PHE 422 Cb -0.01 -2.40 0.28 0.00 -0.57 0.00 0.00 43.02 40.31 3kqn s PHE 422 CO 0.73 0.57 1.56 -0.44 -0.10 0.00 0.00 175.22 177.54 3kqn h ASP 423 N 4.88 0.00 -5.02 1.36 3.32 -0.72 -3.38 116.42 116.86 3kqn h ASP 423 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 3kqn h ASP 423 Cb 1.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 3kqn h ASP 423 CO 0.64 0.22 0.16 -0.94 -1.72 0.00 0.00 179.24 177.59 3kqn s SER 424 N -6.30 -0.47 -0.05 6.45 1.04 -1.20 -1.75 113.70 111.42 3kqn s SER 424 Ca 0.05 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3kqn s SER 424 Cb 0.06 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3kqn s SER 424 CO 0.70 -0.99 -0.09 -0.69 0.98 0.00 0.00 173.24 173.15 3kqn s VAL 425 N -3.78 0.83 -0.14 5.02 1.01 0.24 -1.29 120.40 122.29 3kqn s VAL 425 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3kqn s VAL 425 Cb -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3kqn s VAL 425 CO -0.10 0.28 -0.14 -0.63 0.00 0.00 0.00 175.10 174.51 3kqn s ILE 426 N 0.69 2.86 -0.09 2.22 1.01 0.09 -0.03 121.20 127.94 3kqn s ILE 426 Ca -0.12 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3kqn s ILE 426 Cb -0.14 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3kqn s ILE 426 CO 0.02 0.52 -0.20 -0.62 0.00 0.00 0.00 174.94 174.66 3kqn s ASP 427 N 0.53 2.69 0.14 3.58 2.15 -0.06 -0.50 116.67 125.20 3kqn s ASP 427 Ca -0.09 -0.48 0.25 0.00 0.43 0.00 0.00 52.55 52.65 3kqn s ASP 427 Cb -0.16 -1.23 0.93 0.00 -0.30 0.00 0.00 42.92 42.16 3kqn s ASP 427 CO 0.04 0.11 1.76 0.00 -0.17 0.00 0.00 175.17 176.91 3kqn n ASN 429 N -1.97 -5.22 -4.52 0.00 5.03 -1.26 -4.67 115.26 102.65 3kqn n ASN 429 Ca 0.05 0.09 -0.24 0.00 0.87 0.00 0.00 54.58 55.35 3kqn n ASN 429 Cb 0.33 -3.06 -0.10 0.00 -1.02 0.00 0.00 39.78 35.94 3kqn n ASN 429 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3kqn s THR 430 N -1.55 2.54 0.19 3.41 -4.23 -1.26 -0.54 115.64 114.19 3kqn s THR 430 Ca 0.00 -2.28 -0.12 0.00 -1.18 0.00 0.00 61.69 58.11 3kqn s THR 430 Cb 0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 3kqn s THR 430 CO 0.00 -0.34 0.39 0.00 -0.54 0.00 0.00 174.62 174.14 3kqn s VAL 432 N -3.95 4.71 0.29 0.00 1.01 -1.26 -0.55 120.40 120.65 3kqn s VAL 432 Ca 0.16 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3kqn s VAL 432 Cb 0.01 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3kqn s VAL 432 CO 0.01 0.50 0.16 0.28 0.00 0.00 0.00 175.10 176.05 3kqn s THR 433 N 0.06 0.30 0.07 3.92 -1.32 0.40 -4.98 115.64 114.08 3kqn s THR 433 Ca 0.05 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.59 3kqn s THR 433 Cb -0.12 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.32 3kqn s THR 433 CO 0.01 0.00 -0.16 -1.10 -2.21 0.00 0.00 174.62 171.16 3kqn s GLN 434 N -3.84 0.94 0.00 7.08 -0.21 -1.26 -0.77 119.66 121.59 3kqn s GLN 434 Ca 0.36 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.76 3kqn s GLN 434 Cb 0.05 -1.02 -0.00 0.00 1.00 0.00 0.00 33.01 33.04 3kqn s GLN 434 CO 0.17 0.24 -0.01 0.99 -2.12 0.00 0.00 175.29 174.56 3kqn s THR 435 N -1.17 0.03 -0.16 -0.19 2.01 -0.23 -4.81 115.64 111.12 3kqn s THR 435 Ca 0.01 -0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 3kqn s THR 435 Cb -0.10 -0.05 -0.05 0.00 0.01 0.00 0.00 72.50 72.32 3kqn s THR 435 CO 0.03 -0.04 0.18 0.54 -0.69 0.00 0.00 174.62 174.63 3kqn s VAL 436 N -0.15 5.40 -0.20 3.82 0.11 -1.26 -1.21 120.40 126.91 3kqn s VAL 436 Ca -0.01 0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 3kqn s VAL 436 Cb -0.01 -3.49 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 3kqn s VAL 436 CO -0.00 0.49 -0.14 -0.62 -3.33 0.00 0.00 175.10 171.51 3kqn s ASP 437 N -0.13 3.50 -1.38 3.54 2.15 0.17 -4.92 116.67 119.60 3kqn s ASP 437 Ca 0.12 -0.90 -0.13 0.00 0.43 0.00 0.00 52.55 52.08 3kqn s ASP 437 Cb -0.12 -1.38 0.09 0.00 -0.30 0.00 0.00 42.92 41.21 3kqn s ASP 437 CO 0.02 -0.10 2.05 0.49 -0.17 0.00 0.00 175.17 177.45 3kqn n PHE 438 N 4.61 3.47 1.72 -5.34 3.72 -1.26 0.62 117.46 125.01 3kqn n PHE 438 Ca -0.17 -2.92 0.14 0.00 -0.05 0.00 0.00 57.45 54.46 3kqn n PHE 438 Cb 0.47 -2.35 0.83 0.00 -0.94 0.00 0.00 39.48 37.49 3kqn n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kqn n SER 439 N 5.50 0.00 -4.31 4.37 3.41 -1.18 -4.93 113.62 116.48 3kqn n SER 439 Ca 0.47 -0.76 -0.34 0.00 -0.26 0.00 0.00 58.87 57.98 3kqn n SER 439 Cb 0.39 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 3kqn n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqn n LEU 440 N -1.05 -1.24 -3.10 1.04 4.77 0.15 -4.87 117.00 112.70 3kqn n LEU 440 Ca 0.20 -1.19 -0.19 0.00 -0.03 0.00 0.00 56.01 54.80 3kqn n LEU 440 Cb 0.12 -1.77 -0.03 0.00 -2.33 0.00 0.00 43.42 39.42 3kqn n LEU 440 CO 0.17 0.34 -0.15 -0.90 -1.33 0.00 0.00 177.39 175.52 3kqn n ASP 441 N -2.76 1.57 0.12 -1.43 5.75 -1.26 -4.48 116.55 114.06 3kqn n ASP 441 Ca -0.15 -3.12 0.12 0.00 -0.01 0.00 0.00 54.79 51.62 3kqn n ASP 441 Cb 0.60 -0.60 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 3kqn n ASP 441 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3kqn h PRO 442 N 2.99 0.00 0.00 0.11 0.13 -1.90 -3.48 132.00 129.86 3kqn h PRO 442 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kqn h PRO 442 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3kqn h PRO 442 CO 0.56 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.58 3kqn n THR 443 N -2.75 0.00 -4.37 1.56 -2.24 -1.26 -4.82 114.28 100.39 3kqn n THR 443 Ca 0.01 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 3kqn n THR 443 Cb 0.55 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 3kqn n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kqn s PHE 444 N 0.61 1.72 -0.03 4.78 -0.12 -1.26 0.33 117.98 124.01 3kqn s PHE 444 Ca 0.00 -0.93 0.02 0.00 -0.05 0.00 0.00 56.93 55.98 3kqn s PHE 444 Cb 0.00 -1.04 0.00 0.00 -0.63 0.00 0.00 43.02 41.36 3kqn s PHE 444 CO 0.00 -0.01 -0.09 0.99 -0.05 0.00 0.00 175.22 176.06 3kqn s THR 445 N -3.36 0.83 -0.35 -4.49 2.01 0.20 -1.09 115.64 109.38 3kqn s THR 445 Ca 0.32 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 3kqn s THR 445 Cb 0.06 -0.74 0.06 0.00 0.01 0.00 0.00 72.50 71.90 3kqn s THR 445 CO 0.11 0.26 0.12 -0.63 -0.69 0.00 0.00 174.62 173.79 3kqn s ILE 446 N 0.27 3.48 -0.15 1.82 1.01 -0.38 0.43 121.20 127.69 3kqn s ILE 446 Ca -0.05 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.08 3kqn s ILE 446 Cb -0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 3kqn s ILE 446 CO 0.01 -0.32 0.07 -1.83 0.00 0.00 0.00 174.94 172.86 3kqn s GLU 447 N 1.30 3.63 -0.21 2.79 -1.05 -0.35 -4.63 118.70 120.18 3kqn s GLU 447 Ca 0.00 -0.30 -0.10 0.00 -0.15 0.00 0.00 54.97 54.42 3kqn s GLU 447 Cb -0.21 -3.12 -0.05 0.00 -0.44 0.00 0.00 34.13 30.31 3kqn s GLU 447 CO -0.00 0.50 0.15 0.99 0.95 0.00 0.00 175.26 177.85 3kqn s THR 448 N -0.27 5.39 0.08 1.83 2.01 -1.26 -1.07 115.64 122.36 3kqn s THR 448 Ca 0.09 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.32 3kqn s THR 448 Cb -0.12 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3kqn s THR 448 CO 0.01 0.42 -0.08 0.42 -0.69 0.00 0.00 174.62 174.70 3kqn s THR 449 N 0.52 0.71 -0.24 -0.82 -4.23 0.05 -4.97 115.64 106.66 3kqn s THR 449 Ca 0.08 -1.63 -0.10 0.00 -1.18 0.00 0.00 61.69 58.87 3kqn s THR 449 Cb -0.12 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 3kqn s THR 449 CO -0.00 -0.66 0.14 -0.89 -0.54 0.00 0.00 174.62 172.67 3kqn s THR 450 N -2.71 5.16 0.25 3.99 2.01 -1.26 -0.46 115.64 122.63 3kqn s THR 450 Ca 0.04 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3kqn s THR 450 Cb -0.01 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3kqn s THR 450 CO -0.02 0.34 0.15 0.68 -0.69 0.00 0.00 174.62 175.08 3kqn s VAL 451 N 1.18 0.15 0.51 3.82 -7.23 0.29 -4.94 120.40 114.17 3kqn s VAL 451 Ca 0.07 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.02 3kqn s VAL 451 Cb -0.14 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 3kqn s VAL 451 CO 0.05 0.00 1.19 -2.84 -0.31 0.00 0.00 175.10 173.19 3kqn s PRO 452 N -3.96 3.46 0.66 4.82 0.02 -1.26 0.05 135.00 138.79 3kqn s PRO 452 Ca 0.38 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 63.06 3kqn s PRO 452 Cb 0.06 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3kqn s PRO 452 CO 0.16 -0.81 1.18 1.14 -0.33 0.00 0.00 177.00 178.34 3kqn s GLN 453 N -2.95 2.62 0.72 5.54 -2.07 0.29 -4.67 119.66 119.15 3kqn s GLN 453 Ca 0.69 1.67 -0.01 0.00 -1.82 0.00 0.00 55.36 55.89 3kqn s GLN 453 Cb -0.30 -1.90 0.13 0.00 -1.09 0.00 0.00 33.01 29.85 3kqn s GLN 453 CO 0.35 -1.44 1.00 0.16 -1.32 0.00 0.00 175.29 174.03 3kqn s ASP 454 N -2.04 4.32 0.33 12.60 -4.77 -1.26 -2.49 116.67 123.36 3kqn s ASP 454 Ca 0.73 -0.39 0.01 0.00 -3.30 0.00 0.00 52.55 49.59 3kqn s ASP 454 Cb -0.27 0.03 0.56 0.00 -1.09 0.00 0.00 42.92 42.15 3kqn s ASP 454 CO 0.40 -1.88 1.99 0.00 0.70 0.00 0.00 175.17 176.38 3kqn h ALA 455 N -0.54 1.50 -0.05 2.11 0.00 -0.85 -2.01 119.26 119.41 3kqn h ALA 455 Ca -0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kqn h ALA 455 Cb 1.27 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kqn h ALA 455 CO 0.40 0.47 0.03 0.28 0.00 0.00 0.00 179.25 180.42 3kqn h VAL 456 N 0.96 1.10 -0.45 0.00 2.07 -1.86 -2.23 116.25 115.85 3kqn h VAL 456 Ca 0.26 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3kqn h VAL 456 Cb -0.10 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3kqn h VAL 456 CO -0.06 0.09 0.24 -1.28 0.02 0.00 0.00 177.57 176.57 3kqn h SER 457 N -0.03 0.36 -0.29 0.57 0.87 -1.85 0.68 113.55 113.85 3kqn h SER 457 Ca 0.02 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3kqn h SER 457 Cb 0.11 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3kqn h SER 457 CO -0.00 0.25 0.15 -0.09 -0.53 0.00 0.00 176.83 176.62 3kqn h ARG 458 N 0.48 0.41 -0.30 2.24 2.43 -1.26 0.99 114.38 119.36 3kqn h ARG 458 Ca 0.19 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3kqn h ARG 458 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kqn h ARG 458 CO -0.12 0.36 -0.24 0.77 -1.51 0.00 0.00 179.97 179.23 3kqn h SER 459 N 0.35 0.73 -0.34 -3.80 0.02 -1.24 -0.66 113.55 108.61 3kqn h SER 459 Ca 0.10 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3kqn h SER 459 Cb 0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3kqn h SER 459 CO -0.02 1.02 0.04 1.56 -1.14 0.00 0.00 176.83 178.30 3kqn h GLN 460 N 0.44 0.56 -0.16 3.45 1.08 -0.78 0.88 115.11 120.58 3kqn h GLN 460 Ca 0.05 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3kqn h GLN 460 Cb 0.79 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 3kqn h GLN 460 CO 0.06 0.66 0.05 0.00 -0.95 0.00 0.00 178.83 178.65 3kqn h ARG 461 N 0.39 0.25 -0.61 1.46 3.08 -0.83 -2.68 114.38 115.44 3kqn h ARG 461 Ca 0.10 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3kqn h ARG 461 Cb 0.37 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3kqn h ARG 461 CO 0.01 0.37 0.32 -0.09 -1.07 0.00 0.00 179.97 179.51 3kqn h ARG 462 N 0.08 0.57 0.00 0.04 2.43 -1.05 -1.98 114.38 114.47 3kqn h ARG 462 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3kqn h ARG 462 Cb 0.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3kqn h ARG 462 CO -0.00 0.38 0.00 0.41 -1.51 0.00 0.00 179.97 179.25 3kqn n GLY 463 N -1.28 -0.13 0.10 2.80 0.00 0.30 -2.25 105.19 104.73 3kqn n GLY 463 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3kqn n GLY 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqn n ARG 464 N -0.93 0.22 -4.34 1.61 5.12 -0.74 -4.73 116.66 112.87 3kqn n ARG 464 Ca 0.03 0.26 -0.28 0.00 -1.93 0.00 0.00 57.85 55.93 3kqn n ARG 464 Cb 0.01 -1.80 -0.07 0.00 -1.16 0.00 0.00 32.46 29.45 3kqn n ARG 464 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3kqn s THR 465 N -3.15 1.85 -1.04 0.55 -1.32 -0.95 -4.41 115.64 107.17 3kqn s THR 465 Ca 0.09 -1.80 -0.07 0.00 -1.21 0.00 0.00 61.69 58.71 3kqn s THR 465 Cb 0.12 -2.65 0.01 0.00 -1.51 0.00 0.00 72.50 68.47 3kqn s THR 465 CO 0.53 0.00 0.91 0.61 -2.21 0.00 0.00 174.62 174.45 3kqn n GLY 466 N -1.28 -0.19 3.18 6.08 0.00 -1.26 -4.94 105.19 106.78 3kqn n GLY 466 Ca -0.06 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3kqn n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqn s ARG 467 N -6.00 2.68 0.00 1.61 0.52 -1.26 -4.46 118.95 112.03 3kqn s ARG 467 Ca 0.45 -2.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.44 3kqn s ARG 467 Cb -0.20 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.36 3kqn s ARG 467 CO 0.56 -1.19 0.00 0.41 0.02 0.00 0.00 175.30 175.09 3kqn n GLY 468 N 4.12 0.52 0.00 -3.53 0.00 -1.26 -4.99 105.19 100.05 3kqn n GLY 468 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3kqn n GLY 468 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kqn n ARG 469 N -2.83 0.00 -2.20 1.61 1.85 -1.26 -5.16 116.66 108.67 3kqn n ARG 469 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 3kqn n ARG 469 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kqn n ARG 469 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kqn s MET 470 N -2.00 3.47 0.24 2.89 0.23 -1.26 -4.07 119.30 118.79 3kqn s MET 470 Ca 0.00 1.74 -0.12 0.00 -1.03 0.00 0.00 55.69 56.27 3kqn s MET 470 Cb 0.00 -2.18 -0.00 0.00 -1.53 0.00 0.00 34.83 31.12 3kqn s MET 470 CO 0.00 -0.79 0.46 0.20 -2.03 0.00 0.00 175.02 172.86 3kqn s GLY 471 N -1.53 0.52 -0.03 3.16 0.00 0.15 -4.56 107.32 105.03 3kqn s GLY 471 Ca 0.69 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 44.62 3kqn s GLY 471 CO 0.32 -0.64 -0.24 -0.42 0.00 0.00 0.00 173.10 172.11 3kqn s ILE 472 N -4.01 1.95 -0.21 0.90 1.01 -0.72 -1.35 121.20 118.77 3kqn s ILE 472 Ca 0.22 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3kqn s ILE 472 Cb -0.00 -1.63 0.04 0.00 0.01 0.00 0.00 42.46 40.88 3kqn s ILE 472 CO 0.08 0.55 -0.12 -0.47 0.00 0.00 0.00 174.94 174.98 3kqn s TYR 473 N -0.42 2.70 -0.11 3.97 5.04 -0.12 -0.60 117.35 127.82 3kqn s TYR 473 Ca 0.05 -1.80 -0.03 0.00 -2.44 0.00 0.00 57.07 52.85 3kqn s TYR 473 Cb -0.11 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.40 3kqn s TYR 473 CO 0.01 -0.79 0.02 1.03 -1.34 0.00 0.00 175.55 174.48 3kqn s ARG 474 N 1.30 3.20 0.15 4.97 0.52 0.95 -0.57 118.95 129.48 3kqn s ARG 474 Ca -0.02 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 3kqn s ARG 474 Cb -0.17 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 3kqn s ARG 474 CO -0.08 0.63 -0.08 -0.59 0.02 0.00 0.00 175.30 175.20 3kqn s PHE 475 N -0.67 1.24 -0.19 -0.53 -0.71 -1.14 -0.88 117.98 115.10 3kqn s PHE 475 Ca 0.11 -0.82 -0.10 0.00 -1.04 0.00 0.00 56.93 55.08 3kqn s PHE 475 Cb -0.12 -0.66 -0.21 0.00 -1.21 0.00 0.00 43.02 40.83 3kqn s PHE 475 CO 0.02 0.01 0.12 0.28 -1.34 0.00 0.00 175.22 174.31 3kqn n VAL 476 N -0.20 1.63 -4.50 -2.49 0.31 -1.12 -1.07 118.33 110.88 3kqn n VAL 476 Ca -0.10 -0.44 -0.22 0.00 -0.01 0.00 0.00 64.34 63.58 3kqn n VAL 476 Cb 0.61 -1.78 -0.16 0.00 -0.91 0.00 0.00 33.84 31.61 3kqn n VAL 476 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kqn s THR 477 N -2.49 0.94 0.83 2.52 2.01 -1.26 -4.86 115.64 113.33 3kqn s THR 477 Ca -0.29 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 3kqn s THR 477 Cb 0.08 -0.82 0.12 0.00 0.01 0.00 0.00 72.50 71.88 3kqn s THR 477 CO 0.65 0.28 1.18 -2.16 -0.69 0.00 0.00 174.62 173.89 3kqn s PRO 478 N 0.13 1.56 0.23 4.92 0.04 -1.26 -4.92 135.00 135.70 3kqn s PRO 478 Ca -0.03 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.78 3kqn s PRO 478 Cb -0.09 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3kqn s PRO 478 CO 0.01 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.68 3kqn n GLY 479 N -3.34 -1.74 3.63 0.56 0.00 -1.26 -5.06 105.19 97.97 3kqn n GLY 479 Ca 0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 3kqn n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kqn s GLU 480 N -1.89 0.53 0.44 1.61 4.04 -1.26 -4.95 118.70 117.21 3kqn s GLU 480 Ca 0.00 -0.27 -0.13 0.00 0.04 0.00 0.00 54.97 54.62 3kqn s GLU 480 Cb 0.00 0.20 -0.07 0.00 0.02 0.00 0.00 34.13 34.28 3kqn s GLU 480 CO 0.00 -0.24 0.84 -0.98 -1.84 0.00 0.00 175.26 173.04 3kqn s ARG 481 N -2.61 3.84 0.92 -4.83 1.70 -1.04 -4.79 118.95 112.14 3kqn s ARG 481 Ca 0.12 0.64 -0.10 0.00 -0.47 0.00 0.00 55.73 55.91 3kqn s ARG 481 Cb 0.02 -2.30 0.13 0.00 -0.57 0.00 0.00 34.95 32.23 3kqn s ARG 481 CO -0.03 -0.11 1.07 -2.30 -1.08 0.00 0.00 175.30 172.84 3kqn n PRO 482 N -1.38 -0.43 -4.64 3.89 -0.02 -1.26 -0.27 135.00 130.90 3kqn n PRO 482 Ca 0.04 -0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.17 3kqn n PRO 482 Cb 0.54 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 3kqn n PRO 482 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kqn s SER 483 N -2.55 3.50 0.00 2.55 1.04 -1.26 -4.46 113.70 112.51 3kqn s SER 483 Ca 0.66 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3kqn s SER 483 Cb -0.23 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3kqn s SER 483 CO 0.59 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.54 3kqn n GLY 484 N -1.09 2.27 3.01 7.32 0.00 -0.91 -4.47 105.19 111.33 3kqn n GLY 484 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3kqn n GLY 484 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kqn s MET 485 N -0.11 0.31 0.31 1.61 0.00 -1.26 -0.87 119.30 119.29 3kqn s MET 485 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 55.69 55.37 3kqn s MET 485 Cb 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 34.83 34.89 3kqn s MET 485 CO 0.00 -0.06 -0.07 -0.59 0.00 0.00 0.00 175.02 174.30 3kqn s PHE 486 N -1.11 2.13 0.56 3.16 -0.12 -0.51 -4.92 117.98 117.16 3kqn s PHE 486 Ca -0.12 -0.63 -0.17 0.00 -0.05 0.00 0.00 56.93 55.95 3kqn s PHE 486 Cb -0.07 -1.23 -0.05 0.00 -0.63 0.00 0.00 43.02 41.04 3kqn s PHE 486 CO 0.00 0.39 1.05 0.34 -0.05 0.00 0.00 175.22 176.95 3kqn s ASP 487 N -3.51 5.98 0.59 1.98 2.15 -1.26 -4.55 116.67 118.04 3kqn s ASP 487 Ca 0.31 1.85 0.29 0.00 0.43 0.00 0.00 52.55 55.43 3kqn s ASP 487 Cb 0.04 -2.54 1.68 0.00 -0.30 0.00 0.00 42.92 41.79 3kqn s ASP 487 CO 0.14 -1.03 2.12 -1.28 -0.17 0.00 0.00 175.17 174.94 3kqn h SER 488 N 0.80 0.00 0.08 -0.34 0.87 -1.93 -0.21 113.55 112.81 3kqn h SER 488 Ca -0.48 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 3kqn h SER 488 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3kqn h SER 488 CO 0.58 0.00 -0.05 0.77 -0.53 0.00 0.00 176.83 177.60 3kqn h SER 489 N 0.00 0.00 0.05 6.23 4.64 -1.91 -0.88 113.55 121.68 3kqn h SER 489 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3kqn h SER 489 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3kqn h SER 489 CO -0.00 0.05 -0.33 0.58 -0.87 0.00 0.00 176.83 176.26 3kqn h VAL 490 N 0.00 1.28 -0.40 0.95 2.07 -1.37 -0.07 116.25 118.72 3kqn h VAL 490 Ca -0.00 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 3kqn h VAL 490 Cb 0.11 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kqn h VAL 490 CO 0.01 0.43 0.01 -0.07 0.02 0.00 0.00 177.57 177.97 3kqn h LEU 491 N 0.35 0.68 -1.05 2.57 3.38 -1.29 -0.88 115.31 119.07 3kqn h LEU 491 Ca 0.04 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.76 3kqn h LEU 491 Cb 0.75 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3kqn h LEU 491 CO 0.06 0.82 0.64 0.00 0.09 0.00 0.00 178.44 180.04 3kqn h GLU 493 N 1.17 0.46 -0.22 0.00 4.81 -0.30 -1.44 114.58 119.06 3kqn h GLU 493 Ca 0.41 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3kqn h GLU 493 Cb 0.11 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3kqn h GLU 493 CO -0.15 0.45 -0.20 0.00 -0.73 0.00 0.00 179.01 178.39 3kqn h TYR 495 N 0.22 0.86 -0.44 0.00 0.05 -1.17 0.18 116.97 116.68 3kqn h TYR 495 Ca 0.04 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.76 3kqn h TYR 495 Cb 0.74 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 3kqn h TYR 495 CO 0.07 0.74 0.24 0.22 -1.05 0.00 0.00 178.16 178.39 3kqn h ASP 496 N 0.74 0.37 -0.56 3.88 1.82 -1.21 -1.04 116.42 120.42 3kqn h ASP 496 Ca 0.17 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.74 3kqn h ASP 496 Cb 0.29 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 3kqn h ASP 496 CO -0.00 0.27 0.04 0.00 -1.61 0.00 0.00 179.24 177.94 3kqn h ALA 497 N 1.21 0.96 -0.40 -0.78 0.00 -0.95 0.46 119.26 119.75 3kqn h ALA 497 Ca 0.18 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kqn h ALA 497 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kqn h ALA 497 CO -0.10 0.64 0.21 0.78 0.00 0.00 0.00 179.25 180.78 3kqn h GLY 498 N 1.01 0.55 0.80 0.00 0.00 -0.31 0.26 103.07 105.38 3kqn h GLY 498 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 3kqn h GLY 498 CO 0.02 0.12 -0.33 0.00 0.00 0.00 0.00 176.54 176.35 3kqn h ALA 500 N 0.53 0.03 0.00 0.00 0.00 -0.78 -3.40 119.26 115.63 3kqn h ALA 500 Ca -0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 3kqn h ALA 500 Cb 0.94 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3kqn h ALA 500 CO 0.07 0.73 -1.58 0.91 0.00 0.00 0.00 179.25 179.39 3kqn n TRP 501 N -3.75 0.00 -1.09 0.00 7.02 0.87 -4.81 117.44 115.67 3kqn n TRP 501 Ca -0.13 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.32 3kqn n TRP 501 Cb 0.99 -0.39 0.28 0.00 -2.42 0.00 0.00 31.31 29.77 3kqn n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kqn n TYR 502 N -2.74 2.03 -4.31 -5.99 4.01 -0.97 -4.95 117.16 104.24 3kqn n TYR 502 Ca -0.17 -1.21 -0.36 0.00 -0.16 0.00 0.00 57.90 56.00 3kqn n TYR 502 Cb 0.70 -0.60 -0.08 0.00 -0.31 0.00 0.00 39.34 39.04 3kqn n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kqn n GLU 503 N -0.35 -0.81 -4.24 -0.72 -0.58 -1.00 -4.91 120.64 108.02 3kqn n GLU 503 Ca 0.37 0.11 -0.34 0.00 -0.42 0.00 0.00 57.16 56.88 3kqn n GLU 503 Cb 1.26 -4.03 -0.11 0.00 -0.57 0.00 0.00 31.44 28.00 3kqn n GLU 503 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kqn s LEU 504 N -6.97 3.55 0.61 -4.62 1.43 0.54 -5.01 118.68 108.20 3kqn s LEU 504 Ca 0.49 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 3kqn s LEU 504 Cb -0.29 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3kqn s LEU 504 CO 0.96 0.22 1.03 0.42 0.23 0.00 0.00 176.35 179.21 3kqn s THR 505 N 0.06 4.34 0.26 5.49 -4.23 -1.26 -3.51 115.64 116.79 3kqn s THR 505 Ca 0.03 0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 3kqn s THR 505 Cb -0.13 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 70.32 3kqn s THR 505 CO 0.02 -0.84 1.79 -0.65 -0.54 0.00 0.00 174.62 174.39 3kqn h PRO 506 N 0.05 0.71 -0.54 3.99 0.11 -1.93 -0.26 132.00 134.14 3kqn h PRO 506 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3kqn h PRO 506 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3kqn h PRO 506 CO 0.60 0.47 0.13 0.00 -0.21 0.00 0.00 178.00 178.99 3kqn h ALA 507 N 1.53 1.22 -0.39 -0.75 0.00 -1.92 -1.23 119.26 117.72 3kqn h ALA 507 Ca 0.45 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3kqn h ALA 507 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kqn h ALA 507 CO -0.31 0.54 0.03 1.49 0.00 0.00 0.00 179.25 180.99 3kqn h GLU 508 N 0.79 0.68 -0.89 0.00 4.81 -1.50 -2.30 114.58 116.17 3kqn h GLU 508 Ca 0.18 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3kqn h GLU 508 Cb 0.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3kqn h GLU 508 CO -0.00 0.75 0.47 1.15 -0.73 0.00 0.00 179.01 180.65 3kqn h THR 509 N 0.51 1.26 -0.75 0.32 2.02 -0.73 -2.46 112.91 113.09 3kqn h THR 509 Ca 0.12 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3kqn h THR 509 Cb 0.43 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3kqn h THR 509 CO 0.01 0.30 0.45 0.28 0.37 0.00 0.00 175.52 176.93 3kqn h SER 510 N 1.25 0.90 -0.92 4.18 0.02 -0.98 0.15 113.55 118.15 3kqn h SER 510 Ca 0.31 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 3kqn h SER 510 Cb 0.06 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 3kqn h SER 510 CO -0.05 0.70 0.58 0.58 -1.14 0.00 0.00 176.83 177.51 3kqn h VAL 511 N 1.02 1.09 -0.09 2.27 2.07 -0.96 0.43 116.25 122.08 3kqn h VAL 511 Ca 0.27 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 3kqn h VAL 511 Cb -0.03 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.66 3kqn h VAL 511 CO -0.05 0.20 -0.58 0.03 0.02 0.00 0.00 177.57 177.19 3kqn h ARG 512 N 1.09 0.55 -0.23 1.57 3.08 -1.09 -3.01 114.38 116.34 3kqn h ARG 512 Ca 0.39 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3kqn h ARG 512 Cb 0.12 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3kqn h ARG 512 CO -0.16 1.10 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.61 3kqn h LEU 513 N 0.16 0.38 -0.22 3.04 3.38 -0.71 -2.54 115.31 118.80 3kqn h LEU 513 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kqn h LEU 513 Cb 1.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3kqn h LEU 513 CO 0.12 0.57 0.12 0.03 0.09 0.00 0.00 178.44 179.36 3kqn h ARG 514 N 0.36 0.32 -0.78 1.13 3.08 -0.94 -0.39 114.38 117.16 3kqn h ARG 514 Ca 0.07 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.16 3kqn h ARG 514 Cb 0.51 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 3kqn h ARG 514 CO 0.03 0.31 0.43 0.00 -1.07 0.00 0.00 179.97 179.68 3kqn h ALA 515 N 0.99 1.10 -0.05 0.04 0.00 -1.35 0.13 119.26 120.12 3kqn h ALA 515 Ca 0.08 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kqn h ALA 515 Cb 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kqn h ALA 515 CO -0.01 0.06 0.02 -0.92 0.00 0.00 0.00 179.25 178.39 3kqn h TYR 516 N 0.73 0.08 0.00 0.00 5.03 -1.05 -2.94 116.97 118.82 3kqn h TYR 516 Ca 0.38 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.68 3kqn h TYR 516 Cb 0.35 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 3kqn h TYR 516 CO -0.07 0.25 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.93 3kqn h LEU 517 N -0.12 0.00 -1.06 2.82 4.07 -0.53 -2.79 115.31 117.71 3kqn h LEU 517 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3kqn h LEU 517 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3kqn h LEU 517 CO -0.00 0.02 0.00 0.59 -1.08 0.00 0.00 178.44 177.97 3kqn n ASN 518 N -3.12 1.61 -4.45 -0.43 5.03 0.39 -4.81 115.26 109.49 3kqn n ASN 518 Ca 0.01 -1.61 -0.36 0.00 0.87 0.00 0.00 54.58 53.48 3kqn n ASN 518 Cb 0.32 -0.06 -0.12 0.00 -1.02 0.00 0.00 39.78 38.90 3kqn n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kqn s THR 519 N -1.88 4.31 0.62 3.41 2.01 -1.06 -5.05 115.64 118.00 3kqn s THR 519 Ca 0.35 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 3kqn s THR 519 Cb 0.19 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 3kqn s THR 519 CO 0.30 0.34 1.15 -2.84 -0.69 0.00 0.00 174.62 172.88 3kqn s PRO 520 N 1.58 2.91 0.00 4.92 0.02 -1.26 -3.86 135.00 139.31 3kqn s PRO 520 Ca 0.06 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3kqn s PRO 520 Cb -0.15 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3kqn s PRO 520 CO 0.04 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3kqn n GLY 521 N 0.07 0.73 3.71 0.52 0.00 -1.26 -5.07 105.19 103.89 3kqn n GLY 521 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3kqn n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqn s LEU 522 N 0.00 3.15 0.37 0.99 1.43 -1.25 -4.58 118.68 118.80 3kqn s LEU 522 Ca 0.00 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 51.93 3kqn s LEU 522 Cb 0.00 -1.57 -0.11 0.00 0.03 0.00 0.00 46.19 44.54 3kqn s LEU 522 CO 0.00 -0.34 1.39 -2.65 0.23 0.00 0.00 176.35 174.98 3kqn n PRO 523 N -1.12 2.37 -3.98 1.29 -0.02 -1.26 -4.91 135.00 127.37 3kqn n PRO 523 Ca -0.03 0.83 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 3kqn n PRO 523 Cb 0.62 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3kqn n PRO 523 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kqn s VAL 524 N -1.12 4.04 0.12 -1.45 -7.23 -0.05 -4.93 120.40 109.78 3kqn s VAL 524 Ca 0.55 -1.39 -0.22 0.00 -1.81 0.00 0.00 61.98 59.11 3kqn s VAL 524 Cb -0.51 -3.30 0.06 0.00 0.56 0.00 0.00 36.38 33.18 3kqn s VAL 524 CO 0.62 -0.27 0.55 0.00 -0.31 0.00 0.00 175.10 175.69 3kqn n GLN 526 N -0.14 1.56 -2.74 0.00 3.00 -1.26 -4.85 117.38 112.94 3kqn n GLN 526 Ca -0.17 0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 56.95 3kqn n GLN 526 Cb 0.63 -2.23 -0.00 0.00 0.00 0.00 0.00 30.24 28.64 3kqn n GLN 526 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3kqn s ASP 527 N -0.72 6.91 -0.22 1.08 3.68 -1.26 -4.70 116.67 121.45 3kqn s ASP 527 Ca 0.64 -2.62 0.14 0.00 2.13 0.00 0.00 52.55 52.85 3kqn s ASP 527 Cb -0.51 -2.50 0.57 0.00 -1.45 0.00 0.00 42.92 39.03 3kqn s ASP 527 CO 0.56 -1.01 1.50 1.41 0.13 0.00 0.00 175.17 177.76 3kqn n HIS 528 N 7.22 1.24 -0.07 -5.34 8.25 -1.26 -4.72 115.22 120.54 3kqn n HIS 528 Ca 0.42 -1.04 -0.07 0.00 -0.26 0.00 0.00 57.72 56.77 3kqn n HIS 528 Cb 0.45 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 3kqn n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kqn h LEU 529 N 1.89 -0.02 -0.35 2.41 3.38 -1.99 -1.24 115.31 119.39 3kqn h LEU 529 Ca 0.08 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kqn h LEU 529 Cb 1.64 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.41 3kqn h LEU 529 CO 0.34 0.02 0.06 -0.33 0.09 0.00 0.00 178.44 178.62 3kqn h GLU 530 N 0.13 0.17 0.66 1.13 4.39 -1.99 0.17 114.58 119.24 3kqn h GLU 530 Ca 0.13 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 3kqn h GLU 530 Cb 0.14 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3kqn h GLU 530 CO -0.18 0.11 -0.47 0.35 -1.16 0.00 0.00 179.01 177.66 3kqn h PHE 531 N 0.17 -1.27 -0.76 4.33 3.57 -1.82 -1.51 116.94 119.66 3kqn h PHE 531 Ca 0.17 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3kqn h PHE 531 Cb 0.20 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3kqn h PHE 531 CO -0.20 -0.67 0.50 -1.49 -2.23 0.00 0.00 178.31 174.22 3kqn h TRP 532 N -1.08 0.90 -0.42 0.41 4.06 -1.07 -0.86 115.95 117.90 3kqn h TRP 532 Ca -0.09 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 3kqn h TRP 532 Cb 0.88 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 3kqn h TRP 532 CO -0.14 0.54 0.14 1.49 -3.56 0.00 0.00 178.44 176.90 3kqn h GLU 533 N 0.95 0.64 -0.43 0.49 4.81 -0.59 -2.03 114.58 118.42 3kqn h GLU 533 Ca 0.30 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3kqn h GLU 533 Cb 0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3kqn h GLU 533 CO -0.08 0.63 0.08 0.66 -0.73 0.00 0.00 179.01 179.57 3kqn h SER 534 N 0.53 0.60 0.34 1.04 4.64 -0.59 -0.50 113.55 119.60 3kqn h SER 534 Ca 0.13 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3kqn h SER 534 Cb 0.25 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3kqn h SER 534 CO -0.01 0.61 -0.16 0.58 -0.87 0.00 0.00 176.83 176.98 3kqn h VAL 535 N 0.62 0.68 0.00 0.95 2.07 -0.77 -3.07 116.25 116.73 3kqn h VAL 535 Ca 0.14 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3kqn h VAL 535 Cb 0.27 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3kqn h VAL 535 CO 0.00 0.06 -0.27 -0.26 0.02 0.00 0.00 177.57 177.12 3kqn h PHE 536 N -0.62 0.00 -0.05 1.57 -1.00 -1.25 -2.84 116.94 112.75 3kqn h PHE 536 Ca -0.05 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 3kqn h PHE 536 Cb 0.45 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3kqn h PHE 536 CO -0.01 0.27 -0.08 1.15 -1.61 0.00 0.00 178.31 178.02 3kqn h THR 537 N 0.00 1.09 0.00 -1.55 2.02 -0.99 -1.92 112.91 111.56 3kqn h THR 537 Ca -0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3kqn h THR 537 Cb 0.66 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3kqn h THR 537 CO 0.03 0.12 -0.09 0.61 0.37 0.00 0.00 175.52 176.57 3kqn n GLY 538 N -1.20 -1.54 3.46 2.16 0.00 -1.07 -4.54 105.19 102.46 3kqn n GLY 538 Ca -0.02 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 3kqn n GLY 538 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqn s LEU 539 N -3.57 5.05 0.32 0.99 1.43 -0.72 -5.00 118.68 117.17 3kqn s LEU 539 Ca 0.12 -2.88 0.08 0.00 -1.03 0.00 0.00 54.13 50.42 3kqn s LEU 539 Cb 0.16 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3kqn s LEU 539 CO 0.58 -0.78 0.18 0.42 0.23 0.00 0.00 176.35 176.97 3kqn s THR 540 N 1.72 3.45 -1.31 5.49 -4.23 -1.26 -4.71 115.64 114.79 3kqn s THR 540 Ca 0.42 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3kqn s THR 540 Cb -0.03 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.73 3kqn s THR 540 CO -0.01 -0.23 0.79 1.41 -0.54 0.00 0.00 174.62 176.04 3kqn n HIS 541 N -1.19 -2.02 -2.21 3.99 8.25 -1.26 -4.96 115.22 115.83 3kqn n HIS 541 Ca -0.04 0.87 -0.34 0.00 -0.26 0.00 0.00 57.72 57.95 3kqn n HIS 541 Cb 0.60 -4.50 0.00 0.00 1.12 0.00 0.00 29.99 27.21 3kqn n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kqn s ILE 542 N -3.58 3.32 -0.28 1.59 2.07 -1.26 -4.93 121.20 118.12 3kqn s ILE 542 Ca 0.07 0.77 -0.29 0.00 -1.41 0.00 0.00 60.65 59.79 3kqn s ILE 542 Cb -0.03 -3.29 -0.00 0.00 0.13 0.00 0.00 42.46 39.26 3kqn s ILE 542 CO 0.80 -0.23 1.35 -0.62 -1.91 0.00 0.00 174.94 174.34 3kqn s ASP 543 N -2.01 6.63 0.26 4.50 3.68 -1.26 -4.89 116.67 123.59 3kqn s ASP 543 Ca 0.70 1.30 -0.03 0.00 2.13 0.00 0.00 52.55 56.66 3kqn s ASP 543 Cb -0.22 -2.54 0.42 0.00 -1.45 0.00 0.00 42.92 39.13 3kqn s ASP 543 CO 0.29 -1.10 1.85 0.00 0.13 0.00 0.00 175.17 176.35 3kqn h ALA 544 N 9.49 1.34 -0.76 3.66 0.00 -1.98 -1.18 119.26 129.83 3kqn h ALA 544 Ca -0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3kqn h ALA 544 Cb 1.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3kqn h ALA 544 CO 1.03 0.31 0.43 1.25 0.00 0.00 0.00 179.25 182.27 3kqn h HIS 545 N 1.03 1.01 -0.22 0.00 6.17 -1.99 0.28 115.15 121.43 3kqn h HIS 545 Ca 0.43 -0.01 -0.16 0.00 0.71 0.00 0.00 60.37 61.34 3kqn h HIS 545 Cb 0.26 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.87 3kqn h HIS 545 CO -0.02 0.69 -0.49 0.74 0.71 0.00 0.00 177.93 179.56 3kqn h PHE 546 N 1.05 0.92 -0.45 5.26 0.05 -1.71 -2.19 116.94 119.86 3kqn h PHE 546 Ca 0.27 -0.34 0.01 0.00 3.82 0.00 0.00 57.97 61.73 3kqn h PHE 546 Cb -0.01 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 37.75 3kqn h PHE 546 CO 0.01 1.14 0.29 1.25 -0.18 0.00 0.00 178.31 180.81 3kqn h LEU 547 N 0.44 0.48 -0.52 1.54 6.46 -0.79 -0.43 115.31 122.50 3kqn h LEU 547 Ca 0.00 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 3kqn h LEU 547 Cb 1.10 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 3kqn h LEU 547 CO 0.11 0.35 0.30 -1.28 -0.62 0.00 0.00 178.44 177.29 3kqn h SER 548 N 0.58 0.46 -0.62 1.25 0.87 -0.93 -1.70 113.55 113.47 3kqn h SER 548 Ca 0.17 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3kqn h SER 548 Cb -0.04 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3kqn h SER 548 CO -0.05 0.32 0.20 1.56 -0.53 0.00 0.00 176.83 178.33 3kqn h GLN 549 N 0.58 0.96 -0.17 2.24 4.20 -0.71 -1.91 115.11 120.31 3kqn h GLN 549 Ca 0.21 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 3kqn h GLN 549 Cb 0.06 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kqn h GLN 549 CO -0.11 0.85 -0.50 1.79 -0.67 0.00 0.00 178.83 180.19 3kqn h THR 550 N 0.89 1.33 -0.22 -0.54 1.35 -0.87 -1.69 112.91 113.15 3kqn h THR 550 Ca 0.20 -1.73 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 3kqn h THR 550 Cb 0.29 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3kqn h THR 550 CO -0.01 0.53 0.04 0.11 -0.25 0.00 0.00 175.52 175.94 3kqn h LYS 551 N 0.35 0.37 -0.08 4.72 1.57 -1.17 -2.66 116.57 119.67 3kqn h LYS 551 Ca 0.02 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3kqn h LYS 551 Cb 1.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3kqn h LYS 551 CO 0.09 0.50 -0.31 1.96 -0.57 0.00 0.00 179.45 181.12 3kqn h GLN 552 N 0.18 0.15 0.00 3.15 4.20 -1.31 -1.84 115.11 119.64 3kqn h GLN 552 Ca 0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kqn h GLN 552 Cb 0.31 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kqn h GLN 552 CO 0.00 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 3kqn n ALA 553 N -2.48 1.82 -1.40 3.87 0.00 -0.64 -4.89 120.51 116.79 3kqn n ALA 553 Ca -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 3kqn n ALA 553 Cb 0.39 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3kqn n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqn n GLY 554 N 0.33 0.81 3.76 0.00 0.00 -0.69 -5.00 105.19 104.40 3kqn n GLY 554 Ca 0.03 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3kqn n GLY 554 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqn s ASP 555 N -2.87 5.23 0.28 1.61 1.01 -1.07 -4.99 116.67 115.88 3kqn s ASP 555 Ca 0.00 2.14 -0.28 0.00 0.71 0.00 0.00 52.55 55.11 3kqn s ASP 555 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3kqn s ASP 555 CO 0.00 -1.55 0.98 0.20 0.21 0.00 0.00 175.17 175.01 3kqn s ASN 556 N -2.15 7.42 -1.20 0.27 0.01 -1.26 -3.65 114.94 114.39 3kqn s ASN 556 Ca 0.71 1.98 -0.02 0.00 -0.71 0.00 0.00 52.86 54.81 3kqn s ASN 556 Cb -0.24 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.81 3kqn s ASN 556 CO 0.36 -0.01 0.90 0.49 -1.51 0.00 0.00 177.10 177.33 3kqn n PHE 557 N 1.04 -2.16 -0.20 2.20 3.01 -1.26 -4.77 117.46 115.32 3kqn n PHE 557 Ca -0.00 0.87 0.15 0.00 1.01 0.00 0.00 57.45 59.49 3kqn n PHE 557 Cb 0.48 -4.65 0.48 0.00 -0.01 0.00 0.00 39.48 35.79 3kqn n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kqn h PRO 558 N -1.73 0.45 -0.11 -1.08 0.13 -1.87 -0.73 132.00 127.05 3kqn h PRO 558 Ca -0.60 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 3kqn h PRO 558 Cb 1.34 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3kqn h PRO 558 CO 0.50 0.30 -0.05 -0.92 -0.23 0.00 0.00 178.00 177.60 3kqn h TYR 559 N 0.46 0.26 -0.65 1.56 3.20 -1.90 0.12 116.97 120.02 3kqn h TYR 559 Ca 0.40 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.16 3kqn h TYR 559 Cb 0.89 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3kqn h TYR 559 CO -0.00 0.58 0.22 -0.07 -1.64 0.00 0.00 178.16 177.25 3kqn h LEU 560 N -0.13 0.91 -0.03 2.82 3.38 -1.75 0.32 115.31 120.84 3kqn h LEU 560 Ca 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kqn h LEU 560 Cb 0.51 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kqn h LEU 560 CO 0.02 0.84 0.00 0.58 0.09 0.00 0.00 178.44 179.97 3kqn h VAL 561 N 0.95 1.24 -0.14 1.22 2.07 -1.10 -1.37 116.25 119.12 3kqn h VAL 561 Ca 0.22 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3kqn h VAL 561 Cb 0.25 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3kqn h VAL 561 CO -0.01 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.64 3kqn h ALA 562 N 0.72 1.53 -0.20 1.67 0.00 -0.72 -1.83 119.26 120.43 3kqn h ALA 562 Ca 0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 3kqn h ALA 562 Cb 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kqn h ALA 562 CO 0.00 0.34 -0.61 -0.92 0.00 0.00 0.00 179.25 178.06 3kqn h TYR 563 N 0.21 0.99 -0.61 0.00 3.20 -0.18 -0.21 116.97 120.37 3kqn h TYR 563 Ca 0.04 -0.40 0.01 0.00 3.14 0.00 0.00 58.73 61.52 3kqn h TYR 563 Cb 0.36 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3kqn h TYR 563 CO 0.01 1.21 0.40 0.37 -1.64 0.00 0.00 178.16 178.51 3kqn h GLN 564 N 0.49 0.80 -0.81 1.82 5.75 -0.96 -1.06 115.11 121.15 3kqn h GLN 564 Ca -0.02 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3kqn h GLN 564 Cb 1.23 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 3kqn h GLN 564 CO 0.13 0.53 0.44 0.00 -2.65 0.00 0.00 178.83 177.28 3kqn h ALA 565 N 1.22 1.04 -0.44 3.38 0.00 -1.22 -1.07 119.26 122.17 3kqn h ALA 565 Ca 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kqn h ALA 565 Cb -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3kqn h ALA 565 CO -0.05 0.55 0.27 1.15 0.00 0.00 0.00 179.25 181.18 3kqn h THR 566 N 1.13 1.06 -0.66 0.00 2.02 -0.44 -0.16 112.91 115.86 3kqn h THR 566 Ca 0.28 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3kqn h THR 566 Cb 0.04 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3kqn h THR 566 CO -0.04 0.10 0.27 0.58 0.37 0.00 0.00 175.52 176.79 3kqn h VAL 567 N 0.54 1.24 -0.26 3.16 2.07 -0.79 -1.94 116.25 120.27 3kqn h VAL 567 Ca 0.17 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kqn h VAL 567 Cb -0.01 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3kqn h VAL 567 CO -0.07 0.29 0.16 0.00 0.02 0.00 0.00 177.57 177.98 3kqn h ALA 569 N 1.07 0.39 -0.17 0.00 0.00 -0.83 0.15 119.26 119.88 3kqn h ALA 569 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kqn h ALA 569 Cb -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kqn h ALA 569 CO -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 178.88 3kqn h ARG 570 N 0.29 0.26 -0.02 0.00 3.08 -1.15 -1.57 114.38 115.27 3kqn h ARG 570 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kqn h ARG 570 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kqn h ARG 570 CO -0.13 0.37 -0.02 0.00 -1.07 0.00 0.00 179.97 179.12 3kqn n ALA 571 N -2.49 2.60 -3.26 0.04 0.00 -0.68 -4.92 120.51 111.80 3kqn n ALA 571 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 3kqn n ALA 571 Cb 0.25 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.60 3kqn n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqn n GLN 572 N 0.23 -5.09 -4.23 0.00 6.02 0.18 -4.91 117.38 109.59 3kqn n GLN 572 Ca 0.18 0.78 -0.25 0.00 -0.01 0.00 0.00 57.00 57.70 3kqn n GLN 572 Cb 0.38 -5.64 -0.07 0.00 1.02 0.00 0.00 30.24 25.92 3kqn n GLN 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqn s ALA 573 N -3.16 3.20 0.64 -1.58 0.00 0.29 -0.82 121.76 120.33 3kqn s ALA 573 Ca 0.40 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3kqn s ALA 573 Cb -0.19 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3kqn s ALA 573 CO 0.49 0.40 1.04 -1.25 0.00 0.00 0.00 175.76 176.44 3kqn s PRO 574 N -3.20 3.37 0.96 0.00 0.04 -1.26 -4.32 135.00 130.60 3kqn s PRO 574 Ca 0.29 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 3kqn s PRO 574 Cb -0.08 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.54 3kqn s PRO 574 CO 0.19 -0.69 1.10 -1.25 0.04 0.00 0.00 177.00 176.39 3kqn s PRO 575 N -5.21 0.74 0.28 0.56 0.04 -1.26 -4.44 135.00 125.71 3kqn s PRO 575 Ca 0.56 0.52 0.02 0.00 0.04 0.00 0.00 61.00 62.14 3kqn s PRO 575 Cb -0.11 -1.77 0.68 0.00 0.04 0.00 0.00 34.50 33.33 3kqn s PRO 575 CO 0.53 -2.52 1.69 -1.35 0.04 0.00 0.00 177.00 175.39 3kqn h PRO 576 N -1.74 0.36 0.00 0.56 0.11 -1.96 -3.44 132.00 125.89 3kqn h PRO 576 Ca -0.53 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3kqn h PRO 576 Cb 1.32 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3kqn h PRO 576 CO 0.58 0.24 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.47 3kqn n SER 577 N -5.07 -0.09 -0.93 -2.05 3.41 -1.26 -1.57 113.62 106.06 3kqn n SER 577 Ca 0.21 -1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 57.68 3kqn n SER 577 Cb 0.62 0.17 0.17 0.00 -0.26 0.00 0.00 64.21 64.90 3kqn n SER 577 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kqn n TRP 578 N -0.04 0.61 -1.98 7.33 7.02 -1.26 -4.80 117.44 124.32 3kqn n TRP 578 Ca 0.00 -1.65 -0.30 0.00 -1.02 0.00 0.00 57.50 54.54 3kqn n TRP 578 Cb 0.04 -0.27 0.04 0.00 -2.42 0.00 0.00 31.31 28.70 3kqn n TRP 578 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 3kqn s ASP 579 N -3.31 5.58 0.30 -0.99 1.47 -1.26 -4.87 116.67 113.59 3kqn s ASP 579 Ca 0.41 1.10 0.16 0.00 1.18 0.00 0.00 52.55 55.40 3kqn s ASP 579 Cb 0.38 -1.96 1.09 0.00 -0.34 0.00 0.00 42.92 42.08 3kqn s ASP 579 CO -0.05 -1.23 1.31 0.00 0.68 0.00 0.00 175.17 175.89 3kqn n GLN 580 N -2.90 -0.05 -0.31 2.11 1.13 -1.26 -0.23 117.38 115.86 3kqn n GLN 580 Ca 0.06 1.16 0.29 0.00 -1.94 0.00 0.00 57.00 56.57 3kqn n GLN 580 Cb 0.57 -2.06 0.63 0.00 0.11 0.00 0.00 30.24 29.49 3kqn n GLN 580 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 3kqn h MET 581 N 0.00 0.18 -0.31 -1.09 4.05 -1.97 -1.27 114.93 114.52 3kqn h MET 581 Ca 0.69 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 60.10 3kqn h MET 581 Cb 1.81 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.57 3kqn h MET 581 CO -0.65 0.12 0.00 0.91 0.23 0.00 0.00 176.91 177.52 3kqn n TRP 582 N -4.41 0.96 0.32 1.39 7.02 0.68 -4.67 117.44 118.71 3kqn n TRP 582 Ca 0.25 -0.79 0.19 0.00 -1.02 0.00 0.00 57.50 56.13 3kqn n TRP 582 Cb 1.05 -0.28 1.07 0.00 -2.42 0.00 0.00 31.31 30.74 3kqn n TRP 582 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3kqn h LYS 583 N 2.06 0.00 0.00 -0.99 2.10 -1.29 -1.75 116.57 116.70 3kqn h LYS 583 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqn h LYS 583 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 3kqn h LYS 583 CO 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.65 3kqn n LEU 585 N -1.34 2.21 -0.26 0.00 4.77 -0.66 -4.61 117.00 117.11 3kqn n LEU 585 Ca 0.02 -1.04 0.01 0.00 -0.03 0.00 0.00 56.01 54.98 3kqn n LEU 585 Cb 0.05 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 3kqn n LEU 585 CO 0.04 0.41 1.10 -0.29 -1.33 0.00 0.00 177.39 177.32 3kqn h ILE 586 N 2.75 0.90 -0.16 -0.08 -0.00 -1.46 -1.27 117.51 118.19 3kqn h ILE 586 Ca 0.00 -0.24 0.05 0.00 -0.00 0.00 0.00 64.86 64.67 3kqn h ILE 586 Cb 0.59 0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.55 3kqn h ILE 586 CO 0.00 0.13 0.27 -0.09 -0.00 0.00 0.00 178.15 178.46 3kqn h ARG 587 N 0.69 0.00 -0.02 2.19 2.43 -1.81 0.02 114.38 117.88 3kqn h ARG 587 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3kqn h ARG 587 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3kqn h ARG 587 CO -0.24 0.00 -0.22 1.28 -1.51 0.00 0.00 179.97 179.28 3kqn n LEU 588 N -3.43 1.96 -0.33 3.80 4.32 -0.51 -4.71 117.00 118.10 3kqn n LEU 588 Ca 0.01 -0.85 0.01 0.00 -0.02 0.00 0.00 56.01 55.16 3kqn n LEU 588 Cb 0.38 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.24 3kqn n LEU 588 CO 0.22 0.36 0.54 1.17 -1.22 0.00 0.00 177.39 178.46 3kqn n LYS 589 N 0.30 -0.17 0.27 3.23 4.81 -0.01 0.13 118.16 126.71 3kqn n LYS 589 Ca 0.08 1.36 0.14 0.00 -0.87 0.00 0.00 58.31 59.03 3kqn n LYS 589 Cb 0.38 -2.03 0.76 0.00 0.02 0.00 0.00 35.03 34.16 3kqn n LYS 589 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3kqn h PRO 590 N 0.00 0.00 0.00 1.64 0.11 -1.84 -2.02 132.00 129.89 3kqn h PRO 590 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3kqn h PRO 590 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3kqn h PRO 590 CO -0.89 0.00 -1.51 0.25 -0.21 0.00 0.00 178.00 175.64 3kqn n THR 591 N -2.62 0.00 -2.43 -1.15 -2.24 0.12 -4.98 114.28 100.98 3kqn n THR 591 Ca -0.02 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3kqn n THR 591 Cb 0.23 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3kqn n THR 591 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kqn s LEU 592 N -3.81 4.43 0.20 3.22 1.43 -0.76 -4.81 118.68 118.57 3kqn s LEU 592 Ca -0.03 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.03 3kqn s LEU 592 Cb 0.11 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.74 3kqn s LEU 592 CO 0.66 -0.37 0.46 -1.38 0.23 0.00 0.00 176.35 175.95 3kqn s HIS 593 N 0.34 0.09 0.01 0.29 -3.43 0.00 -4.70 115.29 107.90 3kqn s HIS 593 Ca 0.54 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 3kqn s HIS 593 Cb -0.30 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 3kqn s HIS 593 CO 0.33 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.59 3kqn n GLY 594 N -0.32 -1.99 3.82 -1.38 0.00 -1.26 -4.14 105.19 99.92 3kqn n GLY 594 Ca -0.08 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3kqn n GLY 594 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqn s PRO 595 N -0.19 3.17 0.02 1.61 0.04 -1.26 -4.47 135.00 133.93 3kqn s PRO 595 Ca 0.00 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.84 3kqn s PRO 595 Cb 0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3kqn s PRO 595 CO 0.00 -0.92 0.78 0.99 0.04 0.00 0.00 177.00 177.89 3kqn s THR 596 N -2.78 4.79 -1.20 1.26 2.01 -0.13 -4.64 115.64 114.95 3kqn s THR 596 Ca 0.60 1.64 -0.19 0.00 0.31 0.00 0.00 61.69 64.05 3kqn s THR 596 Cb -0.14 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.31 3kqn s THR 596 CO 0.46 0.33 1.62 -2.84 -0.69 0.00 0.00 174.62 173.50 3kqn s PRO 597 N 0.18 3.87 -0.16 4.92 0.02 -1.26 -0.81 135.00 141.76 3kqn s PRO 597 Ca 0.40 -1.76 -0.29 0.00 0.02 0.00 0.00 61.00 59.36 3kqn s PRO 597 Cb -0.20 -5.44 -0.04 0.00 0.02 0.00 0.00 34.50 28.83 3kqn s PRO 597 CO 0.23 -2.20 1.79 -1.17 -0.33 0.00 0.00 177.00 175.31 3kqn s LEU 598 N 4.26 3.96 -0.04 -5.54 2.96 -1.01 -4.88 118.68 118.40 3kqn s LEU 598 Ca 0.50 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 56.34 3kqn s LEU 598 Cb 0.02 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.92 3kqn s LEU 598 CO 0.02 -1.31 0.70 -0.07 -1.32 0.00 0.00 176.35 174.36 3kqn h LEU 599 N 11.94 0.28 -7.54 -0.68 3.38 -1.92 -3.45 115.31 117.33 3kqn h LEU 599 Ca -0.38 -0.49 0.30 0.00 0.09 0.00 0.00 57.88 57.39 3kqn h LEU 599 Cb 1.19 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 3kqn h LEU 599 CO 0.98 1.42 0.78 -0.72 0.09 0.00 0.00 178.44 180.99 3kqn s TYR 600 N -2.60 -0.02 -0.20 1.13 -0.85 -1.26 -4.61 117.35 108.94 3kqn s TYR 600 Ca -0.11 -0.14 -0.05 0.00 -0.52 0.00 0.00 57.07 56.24 3kqn s TYR 600 Cb 0.07 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 3kqn s TYR 600 CO 0.82 -0.41 0.01 1.03 -1.52 0.00 0.00 175.55 175.49 3kqn s ARG 601 N -2.39 3.67 0.00 -3.49 0.52 -0.25 -4.93 118.95 112.08 3kqn s ARG 601 Ca 0.19 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3kqn s ARG 601 Cb 0.02 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.38 3kqn s ARG 601 CO -0.01 0.05 0.43 1.28 0.02 0.00 0.00 175.30 177.07 3kqn n LEU 602 N 4.15 0.87 0.00 2.53 4.77 -1.26 -1.25 117.00 126.81 3kqn n LEU 602 Ca -0.17 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 3kqn n LEU 602 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kqn n LEU 602 CO 0.32 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3kqn n GLY 603 N 0.05 1.02 3.77 -0.72 0.00 -1.26 -4.92 105.19 103.12 3kqn n GLY 603 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 3kqn n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqn s ALA 604 N -1.00 3.29 -0.22 4.61 0.00 -1.26 -5.04 121.76 122.15 3kqn s ALA 604 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 3kqn s ALA 604 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3kqn s ALA 604 CO 0.00 -0.07 -0.09 0.08 0.00 0.00 0.00 175.76 175.67 3kqn s VAL 605 N -1.34 2.85 -0.22 0.00 1.01 -1.26 -4.33 120.40 117.11 3kqn s VAL 605 Ca 0.48 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3kqn s VAL 605 Cb -0.27 -2.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.65 3kqn s VAL 605 CO 0.34 0.39 -0.21 0.00 0.00 0.00 0.00 175.10 175.61 3kqn n GLN 606 N 4.71 0.53 -1.20 2.72 3.00 -0.61 -5.00 117.38 121.54 3kqn n GLN 606 Ca -0.18 0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.64 3kqn n GLN 606 Cb 0.49 -1.41 0.10 0.00 0.00 0.00 0.00 30.24 29.42 3kqn n GLN 606 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3kqn s ASN 607 N -6.30 4.22 0.94 1.08 2.47 -0.85 -5.00 114.94 111.50 3kqn s ASN 607 Ca -0.30 1.82 -0.10 0.00 0.42 0.00 0.00 52.86 54.70 3kqn s ASN 607 Cb 0.08 -2.48 0.16 0.00 -1.45 0.00 0.00 41.25 37.56 3kqn s ASN 607 CO 0.48 -2.22 1.14 -1.61 -3.72 0.00 0.00 177.10 171.18 3kqn s GLU 608 N -4.88 0.82 0.05 0.43 2.02 -1.26 -4.83 118.70 111.05 3kqn s GLU 608 Ca 0.62 1.52 0.04 0.00 0.02 0.00 0.00 54.97 57.17 3kqn s GLU 608 Cb -0.18 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3kqn s GLU 608 CO 0.56 -2.76 -0.13 0.08 0.02 0.00 0.00 175.26 173.04 3kqn s VAL 609 N -2.62 0.97 0.02 2.63 1.01 -1.26 -0.95 120.40 120.19 3kqn s VAL 609 Ca 0.67 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3kqn s VAL 609 Cb -0.23 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3kqn s VAL 609 CO 0.59 -0.13 -0.16 0.28 0.00 0.00 0.00 175.10 175.67 3kqn s THR 610 N -1.04 1.27 -0.16 3.92 -1.32 0.01 -4.80 115.64 113.52 3kqn s THR 610 Ca -0.02 -0.89 0.16 0.00 -1.21 0.00 0.00 61.69 59.74 3kqn s THR 610 Cb -0.09 -1.10 0.35 0.00 -1.51 0.00 0.00 72.50 70.15 3kqn s THR 610 CO 0.01 0.19 1.20 0.35 -2.21 0.00 0.00 174.62 174.17 3kqn n THR 611 N 2.23 2.03 1.23 5.08 -2.24 -1.26 -2.39 114.28 118.96 3kqn n THR 611 Ca -0.16 -2.49 0.13 0.00 -2.27 0.00 0.00 64.05 59.25 3kqn n THR 611 Cb 0.54 -0.24 0.32 0.00 -2.10 0.00 0.00 70.33 68.85 3kqn n THR 611 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kqn n THR 612 N -1.27 0.00 -1.81 4.28 -2.24 -1.26 -4.48 114.28 107.50 3kqn n THR 612 Ca 0.18 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3kqn n THR 612 Cb 0.69 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 3kqn n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kqn s HIS 613 N -2.40 2.68 0.32 4.78 5.04 -1.26 -4.80 115.29 119.65 3kqn s HIS 613 Ca 0.26 1.02 0.10 0.00 -1.54 0.00 0.00 55.06 54.90 3kqn s HIS 613 Cb 0.19 -4.02 0.89 0.00 0.04 0.00 0.00 32.58 29.68 3kqn s HIS 613 CO 0.49 -3.17 1.73 -1.35 -2.34 0.00 0.00 174.74 170.10 3kqn h PRO 614 N 3.78 0.57 -0.42 2.88 0.11 -1.99 0.60 132.00 137.53 3kqn h PRO 614 Ca -0.49 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3kqn h PRO 614 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kqn h PRO 614 CO 0.70 0.38 -0.21 0.82 -0.21 0.00 0.00 178.00 179.48 3kqn h ILE 615 N 0.58 1.28 -0.34 4.15 2.04 -1.96 0.12 117.51 123.38 3kqn h ILE 615 Ca 0.64 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3kqn h ILE 615 Cb 1.22 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3kqn h ILE 615 CO -0.47 0.46 0.21 0.74 0.00 0.00 0.00 178.15 179.09 3kqn h THR 616 N 0.70 1.11 -0.72 -0.27 2.02 -1.24 0.14 112.91 114.66 3kqn h THR 616 Ca 0.09 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3kqn h THR 616 Cb 0.78 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3kqn h THR 616 CO 0.06 0.11 0.33 0.11 0.37 0.00 0.00 175.52 176.50 3kqn h LYS 617 N 0.45 1.04 -0.29 6.66 1.57 -1.08 -0.76 116.57 124.16 3kqn h LYS 617 Ca 0.12 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3kqn h LYS 617 Cb -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3kqn h LYS 617 CO -0.02 0.81 0.07 -0.92 -0.57 0.00 0.00 179.45 178.82 3kqn h TYR 618 N 1.03 0.48 -0.34 -1.35 3.20 -0.37 -1.16 116.97 118.46 3kqn h TYR 618 Ca 0.25 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3kqn h TYR 618 Cb 0.14 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3kqn h TYR 618 CO 0.01 0.52 0.17 0.82 -1.64 0.00 0.00 178.16 178.04 3kqn h ILE 619 N 0.30 1.16 -0.95 1.81 1.08 -0.68 -0.21 117.51 120.00 3kqn h ILE 619 Ca 0.09 -0.43 0.11 0.00 -0.39 0.00 0.00 64.86 64.24 3kqn h ILE 619 Cb 0.28 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 3kqn h ILE 619 CO 0.00 0.16 0.61 0.24 -0.69 0.00 0.00 178.15 178.47 3kqn h MET 620 N 0.42 0.90 -0.53 2.37 2.86 -1.03 -0.23 114.93 119.69 3kqn h MET 620 Ca 0.12 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3kqn h MET 620 Cb 0.10 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3kqn h MET 620 CO -0.02 0.60 -0.06 0.00 1.06 0.00 0.00 176.91 178.49 3kqn h ALA 621 N 1.55 0.73 -0.55 6.32 0.00 -0.42 -2.65 119.26 124.24 3kqn h ALA 621 Ca 0.46 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kqn h ALA 621 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kqn h ALA 621 CO -0.22 0.60 0.34 0.00 0.00 0.00 0.00 179.25 179.97 3kqn n MET 623 N -4.43 0.15 0.04 0.00 2.81 -0.56 -3.42 117.12 111.71 3kqn n MET 623 Ca 0.05 0.24 -0.22 0.00 -1.81 0.00 0.00 57.70 55.96 3kqn n MET 623 Cb 0.06 -1.72 -0.14 0.00 -0.71 0.00 0.00 33.22 30.71 3kqn n MET 623 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3kqn h SER 624 N 0.00 0.52 0.00 7.83 0.02 -0.90 -3.51 113.55 117.51 3kqn h SER 624 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 3kqn h SER 624 Cb 0.51 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3kqn h SER 624 CO 0.00 1.81 0.00 0.00 -1.14 0.00 0.00 176.83 177.50