#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqk s PRO 190 N 0.00 -1.57 0.01 -1.46 0.02 -1.26 -4.86 135.00 125.87 3kqk s PRO 190 Ca 0.00 0.45 -0.36 0.00 0.02 0.00 0.00 61.00 61.11 3kqk s PRO 190 Cb 0.00 -1.51 -0.15 0.00 0.02 0.00 0.00 34.50 32.86 3kqk s PRO 190 CO 0.00 -4.06 1.59 -2.30 -0.33 0.00 0.00 177.00 171.90 3kqk n PRO 191 N -5.09 1.63 -2.06 5.54 -0.02 -1.26 -4.91 135.00 128.82 3kqk n PRO 191 Ca 0.07 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 3kqk n PRO 191 Cb 0.57 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3kqk n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kqk s ALA 192 N 1.85 3.16 -0.20 3.55 0.00 -1.26 -4.89 121.76 123.98 3kqk s ALA 192 Ca 0.87 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 53.74 3kqk s ALA 192 Cb -0.85 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 18.74 3kqk s ALA 192 CO 0.49 -0.85 2.19 0.08 0.00 0.00 0.00 175.76 177.67 3kqk s VAL 193 N -1.31 3.02 0.69 0.00 1.01 -1.26 -4.96 120.40 117.59 3kqk s VAL 193 Ca 0.59 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 3kqk s VAL 193 Cb -0.37 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3kqk s VAL 193 CO 0.46 -0.02 1.12 -2.84 0.00 0.00 0.00 175.10 173.83 3kqk s PRO 194 N 6.17 2.62 0.30 2.72 0.02 -1.26 -4.94 135.00 140.63 3kqk s PRO 194 Ca 0.99 1.41 0.13 0.00 0.02 0.00 0.00 61.00 63.55 3kqk s PRO 194 Cb -0.34 -1.93 0.46 0.00 0.02 0.00 0.00 34.50 32.72 3kqk s PRO 194 CO 0.36 -1.40 1.66 1.96 -0.33 0.00 0.00 177.00 179.25 3kqk h GLN 195 N -0.19 0.00 -6.37 5.54 4.20 -1.92 -3.43 115.11 112.94 3kqk h GLN 195 Ca -0.46 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.56 3kqk h GLN 195 Cb 1.25 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.81 3kqk h GLN 195 CO 0.53 0.54 -0.77 0.99 -0.67 0.00 0.00 178.83 179.46 3kqk s THR 196 N -3.66 3.10 0.47 -0.54 2.01 -1.26 -5.06 115.64 110.70 3kqk s THR 196 Ca -0.01 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 60.96 3kqk s THR 196 Cb 0.12 -2.26 -0.15 0.00 0.01 0.00 0.00 72.50 70.23 3kqk s THR 196 CO 0.74 0.50 0.02 0.33 -0.69 0.00 0.00 174.62 175.52 3kqk n PHE 197 N 2.01 -2.38 -3.61 4.92 7.35 -1.25 -4.88 117.46 119.63 3kqk n PHE 197 Ca -0.17 0.51 -0.10 0.00 -0.76 0.00 0.00 57.45 56.93 3kqk n PHE 197 Cb 0.52 -1.75 -0.06 0.00 0.35 0.00 0.00 39.48 38.54 3kqk n PHE 197 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kqk s GLN 198 N -1.11 0.58 -0.20 -4.13 0.74 -1.09 -4.98 119.66 109.47 3kqk s GLN 198 Ca 0.59 0.42 -0.05 0.00 0.05 0.00 0.00 55.36 56.37 3kqk s GLN 198 Cb -0.54 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 33.82 3kqk s GLN 198 CO 0.64 -0.12 -0.01 0.08 -0.55 0.00 0.00 175.29 175.33 3kqk s VAL 199 N -0.36 3.90 0.10 1.34 1.01 -1.26 -1.52 120.40 123.62 3kqk s VAL 199 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3kqk s VAL 199 Cb -0.03 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3kqk s VAL 199 CO -0.02 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.31 3kqk s ALA 200 N 0.97 1.75 -0.06 5.51 0.00 -0.41 -4.98 121.76 124.54 3kqk s ALA 200 Ca 0.01 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 3kqk s ALA 200 Cb -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3kqk s ALA 200 CO 0.02 0.33 0.19 -1.01 0.00 0.00 0.00 175.76 175.29 3kqk s HIS 201 N -1.26 3.59 -0.39 0.00 3.76 -1.26 -0.71 115.29 119.02 3kqk s HIS 201 Ca 0.06 0.53 0.01 0.00 -0.15 0.00 0.00 55.06 55.51 3kqk s HIS 201 Cb -0.10 -1.95 0.12 0.00 1.11 0.00 0.00 32.58 31.77 3kqk s HIS 201 CO 0.04 0.69 0.17 -1.17 -0.85 0.00 0.00 174.74 173.62 3kqk s LEU 202 N -1.40 2.84 -0.80 0.89 2.96 -0.95 -4.90 118.68 117.33 3kqk s LEU 202 Ca 0.21 -2.26 -0.17 0.00 -0.22 0.00 0.00 54.13 51.69 3kqk s LEU 202 Cb -0.13 -1.07 0.16 0.00 0.50 0.00 0.00 46.19 45.65 3kqk s LEU 202 CO 0.11 -0.33 0.88 -1.00 -1.32 0.00 0.00 176.35 174.68 3kqk s HIS 203 N 0.81 3.32 0.00 5.38 3.76 -1.26 -1.83 115.29 125.47 3kqk s HIS 203 Ca 0.14 -1.49 0.05 0.00 -0.15 0.00 0.00 55.06 53.62 3kqk s HIS 203 Cb -0.22 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 29.42 3kqk s HIS 203 CO -0.09 -1.25 -0.16 0.00 -0.85 0.00 0.00 174.74 172.39 3kqk s ALA 204 N 1.77 1.31 1.05 -1.40 0.00 -1.20 -5.01 121.76 118.30 3kqk s ALA 204 Ca 0.21 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 3kqk s ALA 204 Cb -0.12 -0.31 0.22 0.00 0.00 0.00 0.00 23.12 22.90 3kqk s ALA 204 CO -0.05 0.31 1.08 -1.25 0.00 0.00 0.00 175.76 175.86 3kqk s PRO 205 N -0.54 0.02 -0.40 0.00 0.04 -1.26 -3.89 135.00 128.96 3kqk s PRO 205 Ca 0.05 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.31 3kqk s PRO 205 Cb -0.06 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.82 3kqk s PRO 205 CO -0.00 -3.00 0.55 2.41 0.04 0.00 0.00 177.00 176.99 3kqk n THR 206 N -4.36 -6.90 -1.56 1.26 -1.04 -1.26 -4.69 114.28 95.73 3kqk n THR 206 Ca 0.05 0.53 -0.18 0.00 -2.04 0.00 0.00 64.05 62.40 3kqk n THR 206 Cb 0.57 -5.09 -0.06 0.00 -1.82 0.00 0.00 70.33 63.93 3kqk n THR 206 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqk n GLY 207 N -0.05 -0.07 1.41 3.41 0.00 -1.26 -3.74 105.19 104.89 3kqk n GLY 207 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3kqk n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqk n SER 208 N 18.13 -2.25 -0.13 1.61 3.41 -1.26 -4.95 113.62 128.18 3kqk n SER 208 Ca 0.45 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.68 3kqk n SER 208 Cb 0.46 2.28 0.28 0.00 -0.26 0.00 0.00 64.21 66.97 3kqk n SER 208 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kqk h GLY 209 N 0.00 0.87 1.92 5.00 0.00 -1.89 -1.71 103.07 107.26 3kqk h GLY 209 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kqk h GLY 209 CO 0.00 0.36 0.00 0.58 0.00 0.00 0.00 176.54 177.48 3kqk n LYS 210 N -4.40 0.01 -0.16 4.80 2.85 -1.26 -0.69 118.16 119.31 3kqk n LYS 210 Ca 0.06 0.42 0.05 0.00 -1.05 0.00 0.00 58.31 57.78 3kqk n LYS 210 Cb 0.09 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.04 3kqk n LYS 210 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3kqk n SER 211 N -1.46 1.45 0.14 -5.58 3.41 -0.66 -4.58 113.62 106.34 3kqk n SER 211 Ca 0.01 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3kqk n SER 211 Cb 0.03 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3kqk n SER 211 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kqk n THR 212 N -0.76 0.11 -0.06 6.66 -2.24 -0.53 -4.78 114.28 112.68 3kqk n THR 212 Ca 0.07 0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.73 3kqk n THR 212 Cb 0.57 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 3kqk n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kqk h LYS 213 N 0.00 0.74 0.71 -0.78 1.57 -1.16 -2.48 116.57 115.17 3kqk h LYS 213 Ca 0.00 -0.52 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 3kqk h LYS 213 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kqk h LYS 213 CO 0.00 1.14 -0.39 0.28 -0.57 0.00 0.00 179.45 179.91 3kqk h VAL 214 N 0.47 0.21 -0.09 0.50 2.07 -1.70 -1.07 116.25 116.64 3kqk h VAL 214 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3kqk h VAL 214 Cb 1.17 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3kqk h VAL 214 CO 0.12 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.21 3kqk h PRO 215 N -1.02 0.13 -0.25 1.57 0.13 -1.81 -2.29 132.00 128.46 3kqk h PRO 215 Ca -0.09 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 3kqk h PRO 215 Cb 0.80 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3kqk h PRO 215 CO 0.12 0.19 -0.21 0.00 -0.23 0.00 0.00 178.00 177.87 3kqk h ALA 216 N 1.83 1.17 -0.39 -0.56 0.00 -1.09 -1.25 119.26 118.97 3kqk h ALA 216 Ca 0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3kqk h ALA 216 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kqk h ALA 216 CO 0.01 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 179.48 3kqk h ALA 217 N 1.36 0.56 -0.13 0.00 0.00 -0.63 -1.68 119.26 118.74 3kqk h ALA 217 Ca 0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3kqk h ALA 217 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kqk h ALA 217 CO 0.04 0.61 -0.41 1.88 0.00 0.00 0.00 179.25 181.37 3kqk h TYR 218 N 0.71 0.35 -0.15 0.00 0.05 -1.24 -2.81 116.97 113.87 3kqk h TYR 218 Ca 0.07 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 3kqk h TYR 218 Cb 0.90 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 3kqk h TYR 218 CO 0.06 0.67 -0.49 0.00 -1.05 0.00 0.00 178.16 177.35 3kqk h ALA 219 N 1.32 0.88 0.00 3.88 0.00 -1.09 -2.20 119.26 122.05 3kqk h ALA 219 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kqk h ALA 219 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kqk h ALA 219 CO 0.07 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.98 3kqk n ALA 220 N -2.49 1.79 -0.43 0.00 0.00 -0.64 -1.00 120.51 117.73 3kqk n ALA 220 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.41 3kqk n ALA 220 Cb 0.55 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.92 3kqk n ALA 220 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqk n GLN 221 N -1.13 2.51 -1.67 0.00 6.02 -0.85 -4.99 117.38 117.27 3kqk n GLN 221 Ca 0.07 -2.04 -0.06 0.00 -0.01 0.00 0.00 57.00 54.95 3kqk n GLN 221 Cb 0.06 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 3kqk n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqk n GLY 222 N -0.57 0.47 3.53 1.08 0.00 -0.17 -5.02 105.19 104.50 3kqk n GLY 222 Ca 0.09 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 3kqk n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqk s TYR 223 N -2.26 3.19 -0.11 1.61 2.02 -1.04 -5.04 117.35 115.72 3kqk s TYR 223 Ca 0.00 -0.15 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 3kqk s TYR 223 Cb 0.00 -2.37 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 3kqk s TYR 223 CO 0.00 -0.28 1.73 0.15 -1.57 0.00 0.00 175.55 175.58 3kqk s LYS 224 N 1.70 3.97 -0.01 -0.62 1.02 -1.26 -4.16 119.74 120.39 3kqk s LYS 224 Ca 0.06 2.08 0.05 0.00 0.02 0.00 0.00 55.97 58.18 3kqk s LYS 224 Cb -0.16 -4.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.06 3kqk s LYS 224 CO 0.09 -1.10 -0.13 0.08 -0.92 0.00 0.00 175.35 173.36 3kqk s VAL 225 N 4.81 3.14 -0.15 3.17 1.01 -0.62 -1.89 120.40 129.87 3kqk s VAL 225 Ca 0.77 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3kqk s VAL 225 Cb -0.32 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3kqk s VAL 225 CO 0.32 0.46 -0.20 -0.22 0.00 0.00 0.00 175.10 175.45 3kqk s LEU 226 N -1.14 2.05 -0.23 3.92 2.96 -0.68 -1.19 118.68 124.37 3kqk s LEU 226 Ca 0.14 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 3kqk s LEU 226 Cb -0.11 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 3kqk s LEU 226 CO 0.04 0.04 0.01 -0.69 -1.32 0.00 0.00 176.35 174.43 3kqk s VAL 227 N 1.00 3.81 -0.12 1.68 1.01 -0.11 -0.15 120.40 127.51 3kqk s VAL 227 Ca -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3kqk s VAL 227 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3kqk s VAL 227 CO -0.05 0.39 0.04 -0.76 0.00 0.00 0.00 175.10 174.72 3kqk s LEU 228 N 1.46 3.78 0.01 3.92 1.43 0.91 -1.66 118.68 128.53 3kqk s LEU 228 Ca 0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3kqk s LEU 228 Cb -0.15 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3kqk s LEU 228 CO 0.00 0.32 -0.04 0.20 0.23 0.00 0.00 176.35 177.06 3kqk s ASN 229 N -0.51 0.46 0.21 2.29 0.01 -0.50 -1.40 114.94 115.51 3kqk s ASN 229 Ca 0.10 -0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.03 3kqk s ASN 229 Cb -0.12 -0.02 0.17 0.00 0.41 0.00 0.00 41.25 41.69 3kqk s ASN 229 CO 0.02 -0.02 1.64 1.55 -1.51 0.00 0.00 177.10 178.79 3kqk h PRO 230 N 5.74 0.85 -6.78 -0.60 0.13 -1.88 -2.75 132.00 126.71 3kqk h PRO 230 Ca -0.28 -0.31 -0.50 0.00 -0.87 0.00 0.00 66.00 64.04 3kqk h PRO 230 Cb 1.20 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kqk h PRO 230 CO 0.48 0.95 0.41 0.45 -0.23 0.00 0.00 178.00 180.06 3kqk s SER 231 N -6.71 7.46 -0.10 1.44 0.15 -1.26 -4.64 113.70 110.04 3kqk s SER 231 Ca -0.10 2.11 -0.28 0.00 0.70 0.00 0.00 55.95 58.39 3kqk s SER 231 Cb 0.13 -2.62 -0.24 0.00 -1.71 0.00 0.00 66.02 61.59 3kqk s SER 231 CO 0.84 0.01 0.94 0.58 1.20 0.00 0.00 173.24 176.80 3kqk h VAL 232 N 3.13 1.64 -0.09 4.45 2.07 -2.00 -2.45 116.25 123.01 3kqk h VAL 232 Ca -0.46 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.17 3kqk h VAL 232 Cb 1.21 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.89 3kqk h VAL 232 CO 0.67 0.50 -0.10 0.00 0.02 0.00 0.00 177.57 178.66 3kqk h ALA 233 N 0.17 -0.03 -0.51 1.67 0.00 -1.99 -0.59 119.26 117.98 3kqk h ALA 233 Ca -0.00 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3kqk h ALA 233 Cb 0.82 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3kqk h ALA 233 CO 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 179.25 178.53 3kqk h ALA 234 N 0.93 0.29 -0.19 0.00 0.00 -1.97 0.52 119.26 118.84 3kqk h ALA 234 Ca 0.07 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kqk h ALA 234 Cb 0.23 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kqk h ALA 234 CO -0.17 -0.47 0.07 1.15 0.00 0.00 0.00 179.25 179.84 3kqk h THR 235 N -0.03 0.97 -0.84 0.00 2.02 -0.99 0.28 112.91 114.31 3kqk h THR 235 Ca 0.24 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.38 3kqk h THR 235 Cb 0.41 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3kqk h THR 235 CO -0.54 0.03 0.56 -0.07 0.37 0.00 0.00 175.52 175.86 3kqk h LEU 236 N 0.17 0.96 -0.52 2.58 3.38 0.11 -2.19 115.31 119.79 3kqk h LEU 236 Ca 0.08 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3kqk h LEU 236 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3kqk h LEU 236 CO -0.07 0.69 -0.22 1.23 0.09 0.00 0.00 178.44 180.16 3kqk h GLY 237 N 1.13 1.04 1.81 0.83 0.00 0.53 -2.68 103.07 105.74 3kqk h GLY 237 Ca 0.31 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 3kqk h GLY 237 CO -0.07 0.84 -0.02 0.74 0.00 0.00 0.00 176.54 178.03 3kqk h PHE 238 N 0.83 0.24 -0.19 5.60 0.04 0.02 -1.84 116.94 121.65 3kqk h PHE 238 Ca 0.11 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 3kqk h PHE 238 Cb 0.79 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 3kqk h PHE 238 CO 0.05 0.28 -0.16 0.78 -0.60 0.00 0.00 178.31 178.66 3kqk h GLY 239 N 0.55 0.49 1.01 -1.45 0.00 -1.11 -2.38 103.07 100.18 3kqk h GLY 239 Ca 0.06 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kqk h GLY 239 CO 0.01 0.44 0.57 0.00 0.00 0.00 0.00 176.54 177.56 3kqk h ALA 240 N 0.65 1.16 -0.06 3.60 0.00 -1.16 -2.38 119.26 121.08 3kqk h ALA 240 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kqk h ALA 240 Cb 0.69 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kqk h ALA 240 CO 0.04 0.60 -0.01 -0.92 0.00 0.00 0.00 179.25 178.97 3kqk h TYR 241 N 1.25 0.13 -0.49 0.00 5.03 -1.33 -3.01 116.97 118.55 3kqk h TYR 241 Ca 0.33 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.71 3kqk h TYR 241 Cb -0.08 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 3kqk h TYR 241 CO -0.00 0.42 0.33 0.52 -1.32 0.00 0.00 178.16 178.11 3kqk h MET 242 N -0.20 0.26 -0.60 1.82 2.86 -1.23 0.23 114.93 118.06 3kqk h MET 242 Ca 0.02 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3kqk h MET 242 Cb 0.37 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 3kqk h MET 242 CO 0.00 0.17 0.36 1.03 1.06 0.00 0.00 176.91 179.53 3kqk h SER 243 N 0.26 0.57 0.37 1.22 0.87 -1.29 -1.35 113.55 114.20 3kqk h SER 243 Ca 0.22 0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.57 3kqk h SER 243 Cb 0.54 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 3kqk h SER 243 CO -0.05 0.39 -1.82 0.29 -0.53 0.00 0.00 176.83 175.12 3kqk n LYS 244 N -4.76 0.65 0.12 2.24 5.02 -0.79 -2.15 118.16 118.49 3kqk n LYS 244 Ca 0.06 0.11 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 3kqk n LYS 244 Cb 0.10 -1.68 0.09 0.00 -0.02 0.00 0.00 35.03 33.51 3kqk n LYS 244 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqk h ALA 245 N 1.32 0.75 0.00 7.82 0.00 -0.51 -3.34 119.26 125.30 3kqk h ALA 245 Ca -0.27 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3kqk h ALA 245 Cb 1.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3kqk h ALA 245 CO 0.04 0.87 -0.04 0.72 0.00 0.00 0.00 179.25 180.83 3kqk n HIS 246 N -3.56 0.00 -2.18 0.00 8.25 -0.52 -5.00 115.22 112.21 3kqk n HIS 246 Ca -0.00 -0.19 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 3kqk n HIS 246 Cb 0.71 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.78 3kqk n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqk n GLY 247 N -0.21 0.01 2.93 -1.41 0.00 -0.91 -4.95 105.19 100.64 3kqk n GLY 247 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kqk n GLY 247 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kqk s ILE 248 N -2.68 1.35 -0.44 -0.61 2.07 -1.20 -5.00 121.20 114.70 3kqk s ILE 248 Ca 0.00 -0.87 -0.28 0.00 -1.41 0.00 0.00 60.65 58.08 3kqk s ILE 248 Cb 0.00 -1.52 0.03 0.00 0.13 0.00 0.00 42.46 41.09 3kqk s ILE 248 CO 0.00 0.08 1.08 -1.81 -1.91 0.00 0.00 174.94 172.38 3kqk s ASP 249 N 1.51 6.67 0.66 4.50 1.11 -1.26 -3.35 116.67 126.51 3kqk s ASP 249 Ca -0.01 0.52 -0.09 0.00 0.18 0.00 0.00 52.55 53.15 3kqk s ASP 249 Cb -0.16 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.32 3kqk s ASP 249 CO -0.08 -1.13 1.01 -2.16 1.18 0.00 0.00 175.17 174.00 3kqk s PRO 250 N 4.14 2.80 0.29 8.23 0.04 -1.26 -4.42 135.00 144.81 3kqk s PRO 250 Ca 0.45 0.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 3kqk s PRO 250 Cb -0.09 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3kqk s PRO 250 CO 0.27 -0.93 0.91 -0.80 0.04 0.00 0.00 177.00 176.48 3kqk s ASN 251 N -4.36 7.35 -0.12 6.66 0.01 -0.68 -4.68 114.94 119.13 3kqk s ASN 251 Ca 0.57 1.79 0.02 0.00 -0.71 0.00 0.00 52.86 54.53 3kqk s ASN 251 Cb -0.11 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3kqk s ASN 251 CO 0.48 -0.01 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.27 3kqk s ILE 252 N -1.52 1.60 -0.22 0.60 -1.09 0.01 0.05 121.20 120.63 3kqk s ILE 252 Ca 0.47 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 3kqk s ILE 252 Cb -0.20 -1.46 0.05 0.00 -1.58 0.00 0.00 42.46 39.28 3kqk s ILE 252 CO 0.25 0.46 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.21 3kqk s ARG 253 N 1.03 1.82 0.08 2.79 0.52 0.18 -0.11 118.95 125.25 3kqk s ARG 253 Ca -0.05 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.25 3kqk s ARG 253 Cb -0.15 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 3kqk s ARG 253 CO -0.03 -0.52 0.07 0.25 0.02 0.00 0.00 175.30 175.10 3kqk n THR 254 N 4.67 0.00 0.07 0.02 -2.24 -0.84 -2.63 114.28 113.34 3kqk n THR 254 Ca -0.13 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 3kqk n THR 254 Cb 0.45 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 3kqk n THR 254 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kqk h GLY 255 N 0.48 -0.28 1.17 3.38 0.00 -1.98 -3.37 103.07 102.46 3kqk h GLY 255 Ca -0.06 0.11 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 3kqk h GLY 255 CO 0.08 -0.10 -0.41 -0.39 0.00 0.00 0.00 176.54 175.72 3kqk h VAL 256 N -0.92 1.27 -3.93 4.60 -1.51 -2.01 -3.46 116.25 110.29 3kqk h VAL 256 Ca -0.03 -1.59 -0.17 0.00 -1.23 0.00 0.00 66.70 63.68 3kqk h VAL 256 Cb 0.49 1.43 -0.21 0.00 -2.13 0.00 0.00 31.29 30.86 3kqk h VAL 256 CO 0.05 0.53 -0.68 -0.60 -1.23 0.00 0.00 177.57 175.63 3kqk s ARG 257 N -4.34 0.31 -0.15 5.19 3.52 -1.26 -5.13 118.95 117.08 3kqk s ARG 257 Ca -0.11 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.88 3kqk s ARG 257 Cb 0.11 0.11 0.06 0.00 -1.56 0.00 0.00 34.95 33.67 3kqk s ARG 257 CO 0.88 -0.05 0.08 0.99 -0.81 0.00 0.00 175.30 176.38 3kqk s THR 258 N -1.39 -0.00 -0.11 4.11 2.01 -1.26 -1.98 115.64 117.01 3kqk s THR 258 Ca -0.15 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 3kqk s THR 258 Cb -0.09 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 3kqk s THR 258 CO -0.01 -0.20 0.01 -0.63 -0.69 0.00 0.00 174.62 173.11 3kqk s ILE 259 N 2.10 4.39 -0.12 1.82 1.01 0.84 -4.96 121.20 126.29 3kqk s ILE 259 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.49 3kqk s ILE 259 Cb -0.16 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3kqk s ILE 259 CO -0.08 0.57 -0.18 -0.89 0.00 0.00 0.00 174.94 174.36 3kqk s THR 260 N -0.57 1.74 0.00 2.92 2.01 -1.26 -0.81 115.64 119.67 3kqk s THR 260 Ca 0.10 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3kqk s THR 260 Cb -0.12 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.83 3kqk s THR 260 CO 0.02 0.49 0.00 0.35 -0.69 0.00 0.00 174.62 174.79 3kqk n THR 261 N 4.12 0.00 -0.76 -0.82 -2.24 -1.26 -4.99 114.28 108.33 3kqk n THR 261 Ca -0.19 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3kqk n THR 261 Cb 0.51 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3kqk n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqk n GLY 262 N 1.33 0.86 3.76 3.38 0.00 -1.26 -5.02 105.19 108.24 3kqk n GLY 262 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kqk n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk s ALA 263 N -3.42 2.59 0.55 4.61 0.00 -1.26 -4.92 121.76 119.91 3kqk s ALA 263 Ca 0.00 0.93 0.28 0.00 0.00 0.00 0.00 51.96 53.17 3kqk s ALA 263 Cb 0.00 -3.42 1.72 0.00 0.00 0.00 0.00 23.12 21.43 3kqk s ALA 263 CO 0.00 -1.04 2.22 -1.00 0.00 0.00 0.00 175.76 175.93 3kqk h PRO 264 N 0.94 0.00 -5.78 0.00 0.13 -1.94 -3.43 132.00 121.92 3kqk h PRO 264 Ca -0.50 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 3kqk h PRO 264 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 3kqk h PRO 264 CO 0.56 0.03 -0.40 0.42 -0.23 0.00 0.00 178.00 178.37 3kqk s ILE 265 N -4.57 5.36 -0.05 -3.56 1.01 -1.26 -1.60 121.20 116.53 3kqk s ILE 265 Ca -0.05 0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.92 3kqk s ILE 265 Cb 0.15 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 39.14 3kqk s ILE 265 CO 0.56 0.55 -0.01 -0.89 0.00 0.00 0.00 174.94 175.15 3kqk s THR 266 N -1.10 0.36 -0.19 2.92 2.01 -0.33 -1.68 115.64 117.63 3kqk s THR 266 Ca 0.20 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.19 3kqk s THR 266 Cb -0.13 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3kqk s THR 266 CO 0.09 0.22 0.05 -0.31 -0.69 0.00 0.00 174.62 173.99 3kqk s TYR 267 N 1.50 3.21 0.04 4.92 1.51 0.11 -0.94 117.35 127.70 3kqk s TYR 267 Ca -0.02 -0.01 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 3kqk s TYR 267 Cb -0.13 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 3kqk s TYR 267 CO -0.03 0.09 0.21 0.45 -1.11 0.00 0.00 175.55 175.16 3kqk s SER 268 N 0.48 0.01 0.46 2.29 0.15 -0.66 -0.65 113.70 115.78 3kqk s SER 268 Ca 0.02 -0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.27 3kqk s SER 268 Cb -0.13 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 3kqk s SER 268 CO 0.01 -0.56 0.79 0.42 1.20 0.00 0.00 173.24 175.10 3kqk s THR 269 N -2.51 4.86 0.42 6.45 -4.23 -1.08 -1.41 115.64 118.15 3kqk s THR 269 Ca -0.05 0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.90 3kqk s THR 269 Cb -0.01 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.27 3kqk s THR 269 CO -0.04 -0.76 2.06 1.88 -0.54 0.00 0.00 174.62 177.23 3kqk h TYR 270 N 0.52 0.46 0.57 3.99 0.05 -1.75 -0.56 116.97 120.25 3kqk h TYR 270 Ca -0.47 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.30 3kqk h TYR 270 Cb 1.20 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 3kqk h TYR 270 CO 0.59 0.29 -0.33 0.78 -1.05 0.00 0.00 178.16 178.44 3kqk h GLY 271 N 0.50 -1.00 1.14 3.88 0.00 -1.87 -1.43 103.07 104.29 3kqk h GLY 271 Ca 0.14 0.40 0.05 0.00 0.00 0.00 0.00 47.33 47.93 3kqk h GLY 271 CO -0.03 -0.35 0.45 1.70 0.00 0.00 0.00 176.54 178.31 3kqk h LYS 272 N -0.84 0.73 -0.17 4.80 1.63 -1.82 -0.12 116.57 120.78 3kqk h LYS 272 Ca -0.08 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3kqk h LYS 272 Cb 0.67 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3kqk h LYS 272 CO 0.09 0.48 0.01 0.35 -3.45 0.00 0.00 179.45 176.93 3kqk h PHE 273 N 0.75 0.01 -0.25 1.91 3.57 -0.89 -0.48 116.94 121.56 3kqk h PHE 273 Ca 0.29 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3kqk h PHE 273 Cb 0.18 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3kqk h PHE 273 CO -0.00 -0.01 0.08 -0.07 -2.23 0.00 0.00 178.31 176.07 3kqk h LEU 274 N 0.07 0.37 -2.33 0.59 3.38 -0.33 -1.29 115.31 115.77 3kqk h LEU 274 Ca 0.08 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kqk h LEU 274 Cb 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kqk h LEU 274 CO -0.13 0.48 0.14 0.00 0.09 0.00 0.00 178.44 179.02 3kqk h ALA 275 N 0.90 1.66 -0.03 1.53 0.00 -0.76 0.30 119.26 122.87 3kqk h ALA 275 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kqk h ALA 275 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kqk h ALA 275 CO -0.00 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 3kqk n ASP 276 N -3.74 0.91 0.00 0.00 8.00 -0.21 -4.89 116.55 116.62 3kqk n ASP 276 Ca -0.00 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3kqk n ASP 276 Cb 0.24 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3kqk n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kqk n GLY 277 N 1.08 0.65 2.18 0.44 0.00 0.11 -4.93 105.19 104.71 3kqk n GLY 277 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3kqk n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqk n GLY 278 N -2.00 0.37 3.67 -0.02 0.00 -0.57 -4.90 105.19 101.75 3kqk n GLY 278 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3kqk n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk s SER 280 N 3.23 4.61 0.88 0.00 1.04 -1.26 -4.98 113.70 117.21 3kqk s SER 280 Ca 0.79 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3kqk s SER 280 Cb -0.40 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3kqk s SER 280 CO 0.35 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.98 3kqk n GLY 281 N 4.62 1.92 2.68 7.32 0.00 -1.26 -2.91 105.19 117.56 3kqk n GLY 281 Ca -0.15 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3kqk n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqk n GLY 282 N 0.00 5.74 0.25 -0.02 0.00 -1.09 -4.19 105.19 105.88 3kqk n GLY 282 Ca 0.00 -2.54 0.12 0.00 0.00 0.00 0.00 46.02 43.60 3kqk n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk h ALA 283 N 2.71 1.18 -2.45 4.61 0.00 -1.80 -3.45 119.26 120.06 3kqk h ALA 283 Ca 0.50 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 3kqk h ALA 283 Cb 0.44 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.04 3kqk h ALA 283 CO 1.27 0.19 -0.59 0.71 0.00 0.00 0.00 179.25 180.84 3kqk s TYR 284 N -3.99 0.35 -0.01 0.00 2.02 -1.26 -4.86 117.35 109.60 3kqk s TYR 284 Ca -0.02 -0.79 0.04 0.00 -0.37 0.00 0.00 57.07 55.93 3kqk s TYR 284 Cb 0.12 -0.25 -0.06 0.00 -0.40 0.00 0.00 41.96 41.37 3kqk s TYR 284 CO 0.60 -0.38 0.09 -0.25 -1.57 0.00 0.00 175.55 174.03 3kqk n ASP 285 N 0.40 4.05 -3.72 2.29 9.92 -0.79 -3.36 116.55 125.34 3kqk n ASP 285 Ca -0.16 -0.01 -0.24 0.00 -0.53 0.00 0.00 54.79 53.84 3kqk n ASP 285 Cb 0.60 1.17 -0.17 0.00 -0.64 0.00 0.00 41.12 42.08 3kqk n ASP 285 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqk s ILE 286 N -2.25 0.27 -0.23 0.53 1.01 -1.17 -0.18 121.20 119.17 3kqk s ILE 286 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 3kqk s ILE 286 Cb 0.02 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3kqk s ILE 286 CO 0.16 0.03 -0.03 -0.63 0.00 0.00 0.00 174.94 174.47 3kqk s ILE 287 N 2.00 3.35 -0.26 2.92 1.01 -0.60 -1.69 121.20 127.94 3kqk s ILE 287 Ca 0.03 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3kqk s ILE 287 Cb -0.14 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3kqk s ILE 287 CO -0.06 0.34 0.19 -0.63 0.00 0.00 0.00 174.94 174.78 3kqk s ILE 288 N 1.45 5.32 -0.57 2.92 1.01 0.79 -0.59 121.20 131.53 3kqk s ILE 288 Ca 0.04 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 3kqk s ILE 288 Cb -0.15 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 38.93 3kqk s ILE 288 CO -0.03 0.29 0.51 0.00 0.00 0.00 0.00 174.94 175.71 3kqk s ASP 290 N 3.08 6.70 -1.43 0.00 3.68 -0.49 -1.42 116.67 126.79 3kqk s ASP 290 Ca 0.06 1.25 -0.10 0.00 2.13 0.00 0.00 52.55 55.90 3kqk s ASP 290 Cb -0.26 -2.36 0.05 0.00 -1.45 0.00 0.00 42.92 38.89 3kqk s ASP 290 CO 0.00 -0.28 1.03 -0.62 0.13 0.00 0.00 175.17 175.43 3kqk n GLU 291 N -0.68 -6.40 0.00 4.34 -0.58 -0.44 -4.61 120.64 112.27 3kqk n GLU 291 Ca 0.03 0.70 0.04 0.00 -0.42 0.00 0.00 57.16 57.51 3kqk n GLU 291 Cb 0.53 -5.62 0.21 0.00 -0.57 0.00 0.00 31.44 25.99 3kqk n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqk h HIS 293 N 0.00 0.00 -3.06 0.00 2.07 -1.86 -3.43 115.15 108.87 3kqk h HIS 293 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 3kqk h HIS 293 Cb 0.02 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.10 3kqk h HIS 293 CO 0.00 0.00 0.53 0.45 -3.07 0.00 0.00 177.93 175.84 3kqk n SER 294 N -2.30 2.71 -2.04 3.10 2.88 -0.36 -4.87 113.62 112.74 3kqk n SER 294 Ca 0.04 1.18 -0.25 0.00 -1.33 0.00 0.00 58.87 58.51 3kqk n SER 294 Cb 0.45 -1.46 0.03 0.00 -0.75 0.00 0.00 64.21 62.49 3kqk n SER 294 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kqk n THR 295 N 0.88 2.71 -4.24 2.46 -2.24 -1.26 -4.62 114.28 107.98 3kqk n THR 295 Ca 0.07 -3.98 -0.35 0.00 -2.27 0.00 0.00 64.05 57.53 3kqk n THR 295 Cb 0.34 -1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 67.36 3kqk n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqk s ASP 296 N -3.29 5.41 0.15 3.42 3.84 -1.26 -4.95 116.67 119.99 3kqk s ASP 296 Ca 0.53 0.14 0.00 0.00 -0.00 0.00 0.00 52.55 53.22 3kqk s ASP 296 Cb 0.43 -1.69 0.35 0.00 -1.38 0.00 0.00 42.92 40.63 3kqk s ASP 296 CO 0.03 0.31 0.76 -1.54 -0.00 0.00 0.00 175.17 174.73 3kqk n SER 297 N 2.58 -0.07 0.05 2.11 3.41 -1.26 -0.01 113.62 120.43 3kqk n SER 297 Ca -0.18 0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 59.13 3kqk n SER 297 Cb 0.53 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3kqk n SER 297 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3kqk h THR 298 N 0.00 1.03 -0.33 6.66 2.02 -1.95 0.11 112.91 120.45 3kqk h THR 298 Ca 0.29 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3kqk h THR 298 Cb 0.58 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3kqk h THR 298 CO -0.46 0.05 0.14 0.74 0.37 0.00 0.00 175.52 176.36 3kqk h THR 299 N -0.12 1.18 -0.71 3.16 2.02 -0.78 0.99 112.91 118.64 3kqk h THR 299 Ca -0.00 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 3kqk h THR 299 Cb 0.11 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3kqk h THR 299 CO 0.01 0.19 0.21 0.40 0.37 0.00 0.00 175.52 176.70 3kqk h ILE 300 N 0.39 1.26 -0.15 3.11 2.04 -1.30 0.23 117.51 123.09 3kqk h ILE 300 Ca 0.11 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 3kqk h ILE 300 Cb 0.17 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3kqk h ILE 300 CO -0.01 0.35 -0.43 0.25 0.00 0.00 0.00 178.15 178.32 3kqk h LEU 301 N 1.06 0.38 0.52 1.44 6.46 -0.80 -0.82 115.31 123.56 3kqk h LEU 301 Ca 0.23 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3kqk h LEU 301 Cb 0.31 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3kqk h LEU 301 CO -0.01 0.77 -0.25 1.23 -0.62 0.00 0.00 178.44 179.56 3kqk h GLY 302 N 1.18 -0.72 2.00 3.75 0.00 -0.05 -1.15 103.07 108.08 3kqk h GLY 302 Ca 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3kqk h GLY 302 CO 0.07 -0.26 -0.02 -2.22 0.00 0.00 0.00 176.54 174.11 3kqk h ILE 303 N -0.98 0.97 -0.28 2.60 2.04 -0.54 -1.35 117.51 119.98 3kqk h ILE 303 Ca -0.07 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 3kqk h ILE 303 Cb 0.61 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3kqk h ILE 303 CO 0.12 0.02 -0.12 1.23 0.00 0.00 0.00 178.15 179.39 3kqk h GLY 304 N 0.06 0.62 0.97 5.37 0.00 -1.01 -1.55 103.07 107.53 3kqk h GLY 304 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.79 3kqk h GLY 304 CO 0.00 0.50 0.16 -0.84 0.00 0.00 0.00 176.54 176.36 3kqk h THR 305 N 0.31 1.05 0.04 4.70 2.02 -0.14 -1.37 112.91 119.52 3kqk h THR 305 Ca 0.06 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3kqk h THR 305 Cb 0.63 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3kqk h THR 305 CO 0.04 0.06 -0.02 1.62 0.37 0.00 0.00 175.52 177.59 3kqk h VAL 306 N 0.33 1.08 0.00 3.16 3.04 -1.33 0.80 116.25 123.33 3kqk h VAL 306 Ca 0.10 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3kqk h VAL 306 Cb -0.02 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3kqk h VAL 306 CO -0.03 0.09 0.09 0.18 -1.01 0.00 0.00 177.57 176.89 3kqk n LEU 307 N -5.04 0.33 -0.09 3.16 4.77 -0.59 -0.04 117.00 119.51 3kqk n LEU 307 Ca -0.08 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 3kqk n LEU 307 Cb 0.12 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.45 3kqk n LEU 307 CO 0.33 -0.72 -1.08 -0.67 -1.33 0.00 0.00 177.39 173.92 3kqk n ASP 308 N -1.94 0.99 -0.00 -1.43 2.03 -0.54 -4.60 116.55 111.05 3kqk n ASP 308 Ca -0.01 -0.02 0.07 0.00 0.52 0.00 0.00 54.79 55.36 3kqk n ASP 308 Cb 0.11 0.75 -0.09 0.00 -0.72 0.00 0.00 41.12 41.16 3kqk n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqk n GLN 309 N -2.70 1.72 0.00 -0.67 6.02 0.18 -4.77 117.38 117.16 3kqk n GLN 309 Ca -0.29 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 3kqk n GLN 309 Cb 1.04 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 31.06 3kqk n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqk n ALA 310 N -1.52 -0.09 -0.05 -1.58 0.00 0.94 -1.07 120.51 117.14 3kqk n ALA 310 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3kqk n ALA 310 Cb 0.27 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 3kqk n ALA 310 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kqk h GLU 311 N 0.00 -0.36 -0.86 0.00 4.81 -1.83 -0.38 114.58 115.96 3kqk h GLU 311 Ca 0.00 0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.50 3kqk h GLU 311 Cb 0.00 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3kqk h GLU 311 CO 0.00 -0.24 0.64 1.15 -0.73 0.00 0.00 179.01 179.84 3kqk h THR 312 N -0.37 0.52 -0.20 0.32 2.02 -1.85 0.16 112.91 113.51 3kqk h THR 312 Ca 0.04 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 3kqk h THR 312 Cb 0.47 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3kqk h THR 312 CO -0.37 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.07 3kqk h ALA 313 N 1.52 0.85 0.00 6.16 0.00 0.59 -3.47 119.26 124.91 3kqk h ALA 313 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kqk h ALA 313 Cb 1.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3kqk h ALA 313 CO -0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 3kqk n GLY 314 N 0.04 0.73 3.68 0.00 0.00 0.58 -2.67 105.19 107.54 3kqk n GLY 314 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3kqk n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk n ALA 315 N 0.00 -0.30 0.13 4.61 0.00 -1.07 -4.77 120.51 119.11 3kqk n ALA 315 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.06 3kqk n ALA 315 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 3kqk n ALA 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqk n ARG 316 N -3.52 5.32 -3.64 0.00 1.74 0.74 -4.50 116.66 112.81 3kqk n ARG 316 Ca 0.13 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 3kqk n ARG 316 Cb 0.51 -0.69 -0.07 0.00 -1.02 0.00 0.00 32.46 31.18 3kqk n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kqk s LEU 317 N -2.27 -0.76 -0.14 0.55 2.96 -0.91 -2.68 118.68 115.44 3kqk s LEU 317 Ca 0.01 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.38 3kqk s LEU 317 Cb 0.02 2.42 0.01 0.00 0.50 0.00 0.00 46.19 49.14 3kqk s LEU 317 CO 0.13 -0.24 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.03 3kqk s VAL 318 N 0.66 1.88 -0.21 1.68 1.01 -0.57 -1.55 120.40 123.29 3kqk s VAL 318 Ca -0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3kqk s VAL 318 Cb -0.05 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3kqk s VAL 318 CO -0.04 0.51 0.04 -0.69 0.00 0.00 0.00 175.10 174.93 3kqk s VAL 319 N 1.03 4.32 -0.96 2.92 1.01 0.24 -1.29 120.40 127.67 3kqk s VAL 319 Ca -0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kqk s VAL 319 Cb -0.15 -2.98 0.24 0.00 0.00 0.00 0.00 36.38 33.50 3kqk s VAL 319 CO -0.05 0.40 0.91 -0.76 0.00 0.00 0.00 175.10 175.60 3kqk s LEU 320 N 1.04 6.30 0.14 3.92 1.43 0.11 0.92 118.68 132.55 3kqk s LEU 320 Ca 0.03 -3.27 -0.20 0.00 -1.03 0.00 0.00 54.13 49.65 3kqk s LEU 320 Cb -0.14 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 3kqk s LEU 320 CO 0.03 -0.37 0.66 0.00 0.23 0.00 0.00 176.35 176.90 3kqk s ALA 321 N -0.74 3.51 -0.20 4.21 0.00 -0.51 -2.24 121.76 125.80 3kqk s ALA 321 Ca 0.25 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3kqk s ALA 321 Cb -0.10 -2.76 0.13 0.00 0.00 0.00 0.00 23.12 20.39 3kqk s ALA 321 CO -0.09 0.36 1.02 -0.08 0.00 0.00 0.00 175.76 176.98 3kqk s THR 322 N -1.27 0.00 -0.11 0.00 -1.32 -0.76 -1.33 115.64 110.86 3kqk s THR 322 Ca 0.35 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.99 3kqk s THR 322 Cb -0.19 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.67 3kqk s THR 322 CO 0.21 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.51 3kqk h ALA 323 N 2.96 0.66 -3.06 11.08 0.00 -1.84 -3.17 119.26 125.90 3kqk h ALA 323 Ca -0.21 -0.87 -0.64 0.00 0.00 0.00 0.00 54.91 53.20 3kqk h ALA 323 Cb 1.17 0.25 -0.41 0.00 0.00 0.00 0.00 17.79 18.80 3kqk h ALA 323 CO 0.26 0.96 -0.49 0.95 0.00 0.00 0.00 179.25 180.93 3kqk s THR 324 N -2.89 3.14 0.90 0.00 -4.23 -1.26 -4.76 115.64 106.54 3kqk s THR 324 Ca -0.02 -4.17 -0.11 0.00 -1.18 0.00 0.00 61.69 56.21 3kqk s THR 324 Cb 0.09 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 71.02 3kqk s THR 324 CO 0.81 -1.01 1.10 -2.16 -0.54 0.00 0.00 174.62 172.81 3kqk s PRO 325 N -1.39 1.20 0.14 3.99 0.04 -1.26 -4.77 135.00 132.95 3kqk s PRO 325 Ca 0.25 1.07 -0.35 0.00 0.04 0.00 0.00 61.00 62.01 3kqk s PRO 325 Cb -0.06 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.54 3kqk s PRO 325 CO -0.15 -2.35 1.32 -2.30 0.04 0.00 0.00 177.00 173.55 3kqk n PRO 326 N -3.99 1.36 -0.48 0.56 -0.02 -1.26 -1.47 135.00 129.69 3kqk n PRO 326 Ca 0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kqk n PRO 326 Cb 0.54 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3kqk n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqk n GLY 327 N 2.42 0.90 3.72 -1.23 0.00 -0.29 -4.92 105.19 105.79 3kqk n GLY 327 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3kqk n GLY 327 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqk s SER 328 N -3.02 3.78 -0.03 1.61 0.01 -0.54 -4.74 113.70 110.78 3kqk s SER 328 Ca 0.00 2.05 -0.03 0.00 1.31 0.00 0.00 55.95 59.28 3kqk s SER 328 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.69 3kqk s SER 328 CO 0.00 -2.53 0.08 0.68 0.41 0.00 0.00 173.24 171.88 3kqk s VAL 329 N -2.68 0.01 0.39 3.43 -7.23 -1.26 -3.48 120.40 109.58 3kqk s VAL 329 Ca 0.65 -0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 60.45 3kqk s VAL 329 Cb -0.21 -0.16 -0.11 0.00 0.56 0.00 0.00 36.38 36.47 3kqk s VAL 329 CO 0.55 -0.06 1.22 0.35 -0.31 0.00 0.00 175.10 176.85 3kqk n THR 330 N 2.82 2.34 -5.11 5.32 -2.24 -1.26 -5.01 114.28 111.14 3kqk n THR 330 Ca -0.14 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.84 3kqk n THR 330 Cb 0.59 -1.48 -0.15 0.00 -2.10 0.00 0.00 70.33 67.19 3kqk n THR 330 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kqk s VAL 331 N -1.17 2.04 0.14 2.28 -7.23 -1.26 -5.09 120.40 110.10 3kqk s VAL 331 Ca 0.59 -1.20 -0.35 0.00 -1.81 0.00 0.00 61.98 59.21 3kqk s VAL 331 Cb -0.54 -1.72 -0.15 0.00 0.56 0.00 0.00 36.38 34.53 3kqk s VAL 331 CO 0.59 0.48 1.46 -2.65 -0.31 0.00 0.00 175.10 174.67 3kqk n PRO 332 N 2.18 1.73 -3.50 4.82 -0.02 -1.26 -4.96 135.00 133.98 3kqk n PRO 332 Ca -0.16 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 3kqk n PRO 332 Cb 0.52 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3kqk n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqk s HIS 333 N 0.64 3.45 0.17 6.00 2.46 -1.26 -5.02 115.29 121.73 3kqk s HIS 333 Ca 0.80 0.61 -0.29 0.00 0.47 0.00 0.00 55.06 56.65 3kqk s HIS 333 Cb -0.79 -2.38 -0.03 0.00 -0.13 0.00 0.00 32.58 29.26 3kqk s HIS 333 CO 0.42 0.20 1.55 -1.35 -2.47 0.00 0.00 174.74 173.09 3kqk h PRO 334 N 6.78 -0.08 -1.49 2.88 0.11 -1.99 -2.69 132.00 135.52 3kqk h PRO 334 Ca -0.40 0.01 -0.71 0.00 0.11 0.00 0.00 66.00 65.00 3kqk h PRO 334 Cb 1.16 0.02 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 3kqk h PRO 334 CO 0.75 -0.05 0.79 0.27 -0.21 0.00 0.00 178.00 179.55 3kqk n ASN 335 N -5.31 7.31 -3.55 -2.05 2.04 -1.26 -4.85 115.26 107.58 3kqk n ASN 335 Ca 0.02 -3.81 -0.14 0.00 -0.44 0.00 0.00 54.58 50.22 3kqk n ASN 335 Cb 0.30 -0.96 -0.12 0.00 -2.53 0.00 0.00 39.78 36.47 3kqk n ASN 335 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3kqk s ILE 336 N -4.98 -0.44 -0.01 1.53 1.01 -1.01 -2.66 121.20 114.64 3kqk s ILE 336 Ca 0.57 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 61.12 3kqk s ILE 336 Cb 0.47 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 3kqk s ILE 336 CO -0.21 -0.03 0.54 -0.70 0.00 0.00 0.00 174.94 174.54 3kqk s GLU 337 N 2.43 4.23 -0.38 2.79 2.56 -0.72 -4.56 118.70 125.06 3kqk s GLU 337 Ca 0.05 0.63 -0.04 0.00 0.00 0.00 0.00 54.97 55.60 3kqk s GLU 337 Cb -0.14 -3.32 0.08 0.00 2.00 0.00 0.00 34.13 32.76 3kqk s GLU 337 CO -0.11 0.43 0.16 -1.21 -0.56 0.00 0.00 175.26 173.97 3kqk s GLU 338 N -0.35 2.27 -0.27 4.30 2.02 -1.26 0.47 118.70 125.88 3kqk s GLU 338 Ca 0.28 -1.57 -0.09 0.00 0.02 0.00 0.00 54.97 53.62 3kqk s GLU 338 Cb -0.18 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 3kqk s GLU 338 CO 0.16 -0.91 0.12 0.08 0.02 0.00 0.00 175.26 174.72 3kqk s VAL 339 N 1.24 4.67 0.37 2.63 1.01 -0.03 -4.97 120.40 125.33 3kqk s VAL 339 Ca 0.03 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 3kqk s VAL 339 Cb -0.22 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 3kqk s VAL 339 CO -0.02 0.28 1.23 0.00 0.00 0.00 0.00 175.10 176.59 3kqk s ALA 340 N 1.66 3.30 0.45 5.51 0.00 -1.26 -3.13 121.76 128.29 3kqk s ALA 340 Ca 0.06 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 3kqk s ALA 340 Cb -0.16 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 3kqk s ALA 340 CO 0.06 -0.59 0.99 -0.51 0.00 0.00 0.00 175.76 175.71 3kqk s LEU 341 N -2.17 3.90 0.00 0.00 1.43 -0.12 -4.87 118.68 116.85 3kqk s LEU 341 Ca 0.53 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 3kqk s LEU 341 Cb -0.35 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.32 3kqk s LEU 341 CO 0.45 -0.54 0.02 -0.24 0.23 0.00 0.00 176.35 176.28 3kqk n SER 342 N -0.77 1.50 -0.11 2.29 2.88 -1.26 -4.94 113.62 113.21 3kqk n SER 342 Ca 0.08 -1.52 -0.14 0.00 -1.33 0.00 0.00 58.87 55.97 3kqk n SER 342 Cb 0.53 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 64.15 3kqk n SER 342 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3kqk h SER 343 N 0.35 0.97 -2.17 -3.46 0.02 -1.92 -2.69 113.55 104.65 3kqk h SER 343 Ca -0.08 -0.48 -0.56 0.00 -0.84 0.00 0.00 61.79 59.82 3kqk h SER 343 Cb 0.29 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.57 3kqk h SER 343 CO 0.14 1.25 1.37 -0.89 -1.14 0.00 0.00 176.83 177.56 3kqk s THR 344 N -4.34 3.02 0.00 -2.27 2.01 -1.26 -4.24 115.64 108.55 3kqk s THR 344 Ca -0.11 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3kqk s THR 344 Cb 0.11 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.60 3kqk s THR 344 CO 0.88 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 3kqk n GLY 345 N 5.20 2.66 0.25 4.40 0.00 -1.26 -4.15 105.19 112.29 3kqk n GLY 345 Ca 0.25 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.38 3kqk n GLY 345 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kqk n GLU 346 N -0.35 1.33 -3.89 1.61 0.00 -1.25 -4.60 120.64 113.50 3kqk n GLU 346 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 57.16 56.36 3kqk n GLU 346 Cb 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 31.44 29.95 3kqk n GLU 346 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kqk s ILE 347 N -1.91 1.46 0.43 3.84 -1.09 -1.17 -4.96 121.20 117.80 3kqk s ILE 347 Ca 0.30 -1.50 -0.25 0.00 -2.23 0.00 0.00 60.65 56.97 3kqk s ILE 347 Cb 0.15 -1.92 -0.08 0.00 -1.58 0.00 0.00 42.46 39.02 3kqk s ILE 347 CO 0.24 -0.39 1.29 -2.16 -1.23 0.00 0.00 174.94 172.68 3kqk s PRO 348 N 1.37 3.84 0.00 2.79 0.04 -1.26 0.12 135.00 141.90 3kqk s PRO 348 Ca 0.03 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3kqk s PRO 348 Cb -0.18 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.71 3kqk s PRO 348 CO -0.12 -0.58 0.00 0.34 0.04 0.00 0.00 177.00 176.68 3kqk n PHE 349 N -0.10 0.00 -3.38 0.56 7.35 0.99 -4.83 117.46 118.05 3kqk n PHE 349 Ca 0.05 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.47 3kqk n PHE 349 Cb 0.44 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.20 3kqk n PHE 349 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3kqk n TYR 350 N 0.00 3.49 0.00 -5.13 4.02 -1.26 -4.74 117.16 113.54 3kqk n TYR 350 Ca 0.00 -4.12 0.00 0.00 -0.01 0.00 0.00 57.90 53.77 3kqk n TYR 350 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 3kqk n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kqk n GLY 351 N 0.81 0.68 0.00 2.72 0.00 -1.26 -5.01 105.19 103.12 3kqk n GLY 351 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3kqk n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqk n LYS 352 N -1.94 0.79 -3.93 1.61 4.01 -1.26 -4.93 118.16 112.50 3kqk n LYS 352 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 3kqk n LYS 352 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 3kqk n LYS 352 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqk s ALA 353 N -2.00 0.01 -0.27 7.82 0.00 -1.01 -0.01 121.76 126.30 3kqk s ALA 353 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 3kqk s ALA 353 Cb 0.00 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.55 3kqk s ALA 353 CO 0.00 -0.46 -0.01 0.42 0.00 0.00 0.00 175.76 175.71 3kqk s ILE 354 N -3.82 3.16 -0.08 0.00 1.09 0.33 -4.38 121.20 117.49 3kqk s ILE 354 Ca 0.05 -1.02 -0.33 0.00 -1.10 0.00 0.00 60.65 58.25 3kqk s ILE 354 Cb 0.06 -2.65 -0.11 0.00 -1.06 0.00 0.00 42.46 38.70 3kqk s ILE 354 CO -0.10 0.11 1.94 -2.65 -0.10 0.00 0.00 174.94 174.14 3kqk n PRO 355 N 4.71 2.28 -0.23 2.79 -0.02 -1.26 -3.04 135.00 140.23 3kqk n PRO 355 Ca -0.15 0.82 0.32 0.00 -2.02 0.00 0.00 63.50 62.46 3kqk n PRO 355 Cb 0.46 -2.76 0.73 0.00 -0.02 0.00 0.00 33.50 31.91 3kqk n PRO 355 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kqk h ILE 356 N 5.70 0.39 -0.32 4.25 6.09 -1.94 0.44 117.51 132.12 3kqk h ILE 356 Ca -0.47 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 62.94 3kqk h ILE 356 Cb 1.26 0.44 -0.02 0.00 0.47 0.00 0.00 36.82 38.97 3kqk h ILE 356 CO 0.95 0.00 -0.14 -0.08 -3.07 0.00 0.00 178.15 175.81 3kqk h GLU 357 N 0.00 0.55 0.17 2.19 4.57 -1.98 -1.83 114.58 118.25 3kqk h GLU 357 Ca 0.48 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3kqk h GLU 357 Cb 2.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.58 3kqk h GLU 357 CO -0.01 0.68 -0.22 1.15 -1.18 0.00 0.00 179.01 179.44 3kqk h THR 358 N 0.51 0.00 -0.21 0.32 2.02 -0.46 -2.58 112.91 112.51 3kqk h THR 358 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3kqk h THR 358 Cb 0.54 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3kqk h THR 358 CO 0.03 0.00 0.00 2.30 0.37 0.00 0.00 175.52 178.23 3kqk n ILE 359 N -3.65 1.00 0.00 3.11 -5.35 -1.22 -4.60 119.36 108.64 3kqk n ILE 359 Ca -0.05 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 3kqk n ILE 359 Cb 0.19 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 3kqk n ILE 359 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3kqk n LYS 360 N 0.22 0.00 -4.02 6.28 4.81 -0.69 -4.80 118.16 119.96 3kqk n LYS 360 Ca 0.10 0.33 -0.24 0.00 -0.87 0.00 0.00 58.31 57.64 3kqk n LYS 360 Cb 0.60 -0.97 -0.06 0.00 0.02 0.00 0.00 35.03 34.61 3kqk n LYS 360 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3kqk s GLY 361 N 0.00 2.24 0.00 3.14 0.00 -1.26 -4.95 107.32 106.49 3kqk s GLY 361 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.69 3kqk s GLY 361 CO 0.00 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.86 3kqk n GLY 362 N -1.28 -1.82 3.40 0.20 0.00 -1.26 -4.90 105.19 99.52 3kqk n GLY 362 Ca -0.00 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 3kqk n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqk s ARG 363 N 0.00 3.46 0.05 1.61 0.52 -1.26 -0.85 118.95 122.48 3kqk s ARG 363 Ca 0.00 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 3kqk s ARG 363 Cb 0.00 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 3kqk s ARG 363 CO 0.00 0.18 -0.09 -1.01 0.02 0.00 0.00 175.30 174.40 3kqk s HIS 364 N 0.48 0.79 -0.10 -0.53 3.76 -0.49 -0.77 115.29 118.43 3kqk s HIS 364 Ca -0.07 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 3kqk s HIS 364 Cb -0.15 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 33.08 3kqk s HIS 364 CO 0.04 -0.06 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.49 3kqk s LEU 365 N -1.78 1.99 -0.10 0.89 2.96 -1.05 -0.53 118.68 121.05 3kqk s LEU 365 Ca -0.06 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3kqk s LEU 365 Cb -0.08 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 3kqk s LEU 365 CO 0.00 0.11 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.33 3kqk s ILE 366 N 0.56 2.66 -0.20 6.68 -1.09 0.17 -0.74 121.20 129.23 3kqk s ILE 366 Ca -0.15 -0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 57.37 3kqk s ILE 366 Cb -0.17 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 3kqk s ILE 366 CO 0.05 0.55 0.10 -0.36 -1.23 0.00 0.00 174.94 174.04 3kqk s PHE 367 N 0.16 3.29 -0.00 3.97 0.40 -0.16 -0.35 117.98 125.28 3kqk s PHE 367 Ca -0.10 0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.43 3kqk s PHE 367 Cb -0.16 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 3kqk s PHE 367 CO 0.06 0.13 -0.22 0.00 0.70 0.00 0.00 175.22 175.89 3kqk h HIS 369 N 5.39 1.07 -2.16 0.00 2.07 -1.89 -3.38 115.15 116.25 3kqk h HIS 369 Ca -0.41 0.03 -0.57 0.00 -2.85 0.00 0.00 60.37 56.56 3kqk h HIS 369 Cb 1.14 -0.36 -0.14 0.00 2.57 0.00 0.00 27.41 30.63 3kqk h HIS 369 CO 0.42 0.66 -0.66 -1.54 -3.07 0.00 0.00 177.93 173.75 3kqk s SER 370 N -5.96 3.37 0.42 3.10 1.04 -1.26 -4.66 113.70 109.75 3kqk s SER 370 Ca -0.13 -1.24 0.28 0.00 0.48 0.00 0.00 55.95 55.33 3kqk s SER 370 Cb 0.16 -0.29 0.94 0.00 0.10 0.00 0.00 66.02 66.93 3kqk s SER 370 CO 0.79 -0.32 1.80 0.11 0.98 0.00 0.00 173.24 176.60 3kqk h LYS 371 N 2.05 0.00 -0.38 4.02 1.57 -1.96 -3.01 116.57 118.87 3kqk h LYS 371 Ca -0.42 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 3kqk h LYS 371 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3kqk h LYS 371 CO 0.71 0.00 -0.17 1.57 -0.57 0.00 0.00 179.45 181.00 3kqk h LYS 372 N 0.00 0.78 0.00 3.15 2.10 -1.98 -2.39 116.57 118.23 3kqk h LYS 372 Ca 0.00 -0.33 -0.07 0.00 -2.00 0.00 0.00 60.65 58.24 3kqk h LYS 372 Cb 0.65 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 3kqk h LYS 372 CO 0.00 0.95 -0.35 0.87 -2.00 0.00 0.00 179.45 178.92 3kqk h LYS 373 N 0.58 0.00 0.00 0.07 1.79 -1.94 -2.20 116.57 114.86 3kqk h LYS 373 Ca 0.09 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 3kqk h LYS 373 Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 3kqk h LYS 373 CO 0.05 0.35 -0.29 0.00 -1.08 0.00 0.00 179.45 178.48 3kqk h ASP 375 N 0.00 0.03 -0.64 0.00 3.45 -1.24 -2.84 116.42 115.17 3kqk h ASP 375 Ca -0.00 -0.64 0.05 0.00 0.43 0.00 0.00 57.03 56.87 3kqk h ASP 375 Cb 0.80 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.53 3kqk h ASP 375 CO 0.04 1.40 0.42 -0.33 -1.57 0.00 0.00 179.24 179.20 3kqk h GLU 376 N -0.94 0.65 0.06 3.56 5.08 -1.44 -1.13 114.58 120.41 3kqk h GLU 376 Ca -0.27 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 3kqk h GLU 376 Cb 1.28 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.39 3kqk h GLU 376 CO -0.15 0.43 -0.40 1.25 -1.00 0.00 0.00 179.01 179.14 3kqk h LEU 377 N 0.67 0.25 0.00 1.33 5.85 -1.56 -1.73 115.31 120.12 3kqk h LEU 377 Ca 0.27 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3kqk h LEU 377 Cb 0.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kqk h LEU 377 CO -0.08 1.17 0.00 0.00 -0.34 0.00 0.00 178.44 179.19 3kqk n ALA 378 N -2.62 1.54 -0.10 1.25 0.00 -1.05 -0.85 120.51 118.68 3kqk n ALA 378 Ca -0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 3kqk n ALA 378 Cb 0.63 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 3kqk n ALA 378 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqk n ALA 379 N -1.21 1.55 0.14 0.00 0.00 -0.45 -3.67 120.51 116.87 3kqk n ALA 379 Ca 0.03 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 3kqk n ALA 379 Cb 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 3kqk n ALA 379 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kqk h LYS 380 N 0.00 -0.37 -0.11 0.00 3.64 -0.11 0.30 116.57 119.91 3kqk h LYS 380 Ca -0.47 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3kqk h LYS 380 Cb 1.78 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 3kqk h LYS 380 CO -0.06 -0.04 0.07 -0.07 -2.27 0.00 0.00 179.45 177.08 3kqk h LEU 381 N -0.76 0.13 -0.86 5.20 3.38 -1.25 -2.49 115.31 118.67 3kqk h LEU 381 Ca -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kqk h LEU 381 Cb 0.50 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3kqk h LEU 381 CO 0.06 0.14 0.51 0.28 0.09 0.00 0.00 178.44 179.52 3kqk h SER 382 N 0.12 1.04 0.00 -0.43 0.02 -1.63 0.46 113.55 113.13 3kqk h SER 382 Ca 0.04 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3kqk h SER 382 Cb 0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3kqk h SER 382 CO -0.01 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 3kqk n GLY 383 N -1.19 1.35 0.44 -3.77 0.00 0.10 -2.38 105.19 99.74 3kqk n GLY 383 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 3kqk n GLY 383 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqk n LEU 384 N 0.21 0.46 0.00 0.99 4.32 0.13 -4.96 117.00 118.15 3kqk n LEU 384 Ca 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 56.01 54.58 3kqk n LEU 384 Cb 0.26 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3kqk n LEU 384 CO 0.00 0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 3kqk n GLY 385 N -0.26 2.50 3.70 -0.72 0.00 -1.00 -5.02 105.19 104.39 3kqk n GLY 385 Ca 0.03 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3kqk n GLY 385 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqk n LEU 386 N 0.00 4.51 -4.47 0.99 4.77 -1.07 -4.91 117.00 116.82 3kqk n LEU 386 Ca 0.00 1.00 -0.44 0.00 -0.03 0.00 0.00 56.01 56.54 3kqk n LEU 386 Cb 0.00 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 39.57 3kqk n LEU 386 CO 0.00 -0.88 1.18 0.21 -1.33 0.00 0.00 177.39 176.57 3kqk s ASN 387 N -0.82 6.76 -0.08 -1.43 3.04 -1.26 -3.72 114.94 117.43 3kqk s ASN 387 Ca 0.68 -2.31 -0.03 0.00 0.04 0.00 0.00 52.86 51.25 3kqk s ASN 387 Cb -0.46 -2.42 -0.04 0.00 -1.54 0.00 0.00 41.25 36.80 3kqk s ASN 387 CO 0.52 -1.00 0.04 0.00 -3.04 0.00 0.00 177.10 173.62 3kqk s ALA 388 N 2.57 3.44 -0.08 1.71 0.00 -1.26 -0.51 121.76 127.63 3kqk s ALA 388 Ca 0.37 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 3kqk s ALA 388 Cb -0.03 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.54 3kqk s ALA 388 CO -0.06 0.61 0.16 0.14 0.00 0.00 0.00 175.76 176.61 3kqk s VAL 389 N -0.95 -0.22 0.43 0.00 -7.23 -0.71 -4.78 120.40 106.94 3kqk s VAL 389 Ca 0.15 0.32 -0.19 0.00 -1.81 0.00 0.00 61.98 60.45 3kqk s VAL 389 Cb -0.12 -0.29 -0.10 0.00 0.56 0.00 0.00 36.38 36.44 3kqk s VAL 389 CO 0.04 0.13 0.92 0.00 -0.31 0.00 0.00 175.10 175.88 3kqk s ALA 390 N 2.07 3.10 -0.01 1.32 0.00 -1.26 -2.49 121.76 124.50 3kqk s ALA 390 Ca 0.01 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 3kqk s ALA 390 Cb -0.12 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 3kqk s ALA 390 CO -0.06 0.08 0.09 -0.47 0.00 0.00 0.00 175.76 175.40 3kqk s TYR 391 N -2.25 0.04 0.00 0.00 5.04 -0.18 -4.90 117.35 115.09 3kqk s TYR 391 Ca 0.60 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.14 3kqk s TYR 391 Cb -0.09 -0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.16 3kqk s TYR 391 CO 0.18 -0.19 0.00 2.48 -1.34 0.00 0.00 175.55 176.68 3kqk n TYR 392 N 1.99 0.00 -1.69 4.97 0.18 -1.26 -2.57 117.16 118.77 3kqk n TYR 392 Ca -0.20 0.00 -0.64 0.00 1.88 0.00 0.00 57.90 58.94 3kqk n TYR 392 Cb 0.57 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 3kqk n TYR 392 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3kqk n ARG 393 N -0.10 0.37 0.00 -3.48 0.63 -1.26 -1.62 116.66 111.19 3kqk n ARG 393 Ca 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3kqk n ARG 393 Cb 0.00 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.21 3kqk n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kqk n GLY 394 N 4.41 1.81 3.79 5.14 0.00 -1.26 -5.11 105.19 113.97 3kqk n GLY 394 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 3kqk n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqk s LEU 395 N 0.00 3.86 0.17 0.99 1.43 -0.64 -5.09 118.68 119.40 3kqk s LEU 395 Ca 0.00 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 3kqk s LEU 395 Cb 0.00 -2.53 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 3kqk s LEU 395 CO 0.00 0.17 1.03 -0.62 0.23 0.00 0.00 176.35 177.15 3kqk s ASP 396 N -2.43 7.41 0.65 2.29 2.15 -1.26 -4.83 116.67 120.65 3kqk s ASP 396 Ca 0.30 1.98 0.43 0.00 0.43 0.00 0.00 52.55 55.69 3kqk s ASP 396 Cb -0.12 -2.60 2.33 0.00 -0.30 0.00 0.00 42.92 42.22 3kqk s ASP 396 CO 0.23 -0.10 2.33 0.58 -0.17 0.00 0.00 175.17 178.04 3kqk h VAL 397 N 3.68 0.00 -0.13 1.11 2.07 -1.95 -2.40 116.25 118.63 3kqk h VAL 397 Ca -0.44 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kqk h VAL 397 Cb 1.21 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3kqk h VAL 397 CO 0.71 0.00 0.05 0.28 0.02 0.00 0.00 177.57 178.64 3kqk h SER 398 N 0.00 0.15 -0.82 0.57 0.02 -1.96 -2.36 113.55 109.14 3kqk h SER 398 Ca 0.00 -0.01 0.24 0.00 -0.84 0.00 0.00 61.79 61.18 3kqk h SER 398 Cb 0.04 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3kqk h SER 398 CO 0.00 0.14 0.66 -0.37 -1.14 0.00 0.00 176.83 176.12 3kqk h VAL 399 N 0.17 0.44 -3.36 2.27 -1.51 -1.83 -3.39 116.25 109.04 3kqk h VAL 399 Ca 0.05 0.00 -0.56 0.00 -1.23 0.00 0.00 66.70 64.96 3kqk h VAL 399 Cb 0.03 0.52 -0.04 0.00 -2.13 0.00 0.00 31.29 29.66 3kqk h VAL 399 CO -0.01 0.00 0.06 -0.63 -1.23 0.00 0.00 177.57 175.76 3kqk s ILE 400 N -4.84 4.74 0.05 7.19 1.01 -0.89 -5.03 121.20 123.43 3kqk s ILE 400 Ca -0.05 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 3kqk s ILE 400 Cb 0.20 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3kqk s ILE 400 CO 0.70 0.45 1.00 -2.16 0.00 0.00 0.00 174.94 174.92 3kqk s PRO 401 N -0.49 4.59 0.56 2.79 0.04 -1.26 -4.93 135.00 136.30 3kqk s PRO 401 Ca 0.33 1.47 0.33 0.00 0.04 0.00 0.00 61.00 63.17 3kqk s PRO 401 Cb -0.20 -3.42 1.65 0.00 0.04 0.00 0.00 34.50 32.57 3kqk s PRO 401 CO 0.21 0.02 2.12 1.15 0.04 0.00 0.00 177.00 180.53 3kqk h THR 402 N 4.50 0.32 -3.92 1.26 2.02 -1.96 -3.45 112.91 111.69 3kqk h THR 402 Ca -0.42 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 3kqk h THR 402 Cb 1.22 1.30 -0.12 0.00 -1.74 0.00 0.00 68.15 68.81 3kqk h THR 402 CO 0.74 0.07 -0.30 -0.44 0.37 0.00 0.00 175.52 175.96 3kqk s SER 403 N -5.84 0.02 0.00 4.18 0.01 -1.26 -5.12 113.70 105.69 3kqk s SER 403 Ca -0.02 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.27 3kqk s SER 403 Cb 0.12 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.82 3kqk s SER 403 CO 0.54 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.84 3kqk n GLY 404 N -0.27 -0.39 3.65 3.44 0.00 -1.26 -4.94 105.19 105.42 3kqk n GLY 404 Ca -0.04 -1.48 -0.48 0.00 0.00 0.00 0.00 46.02 44.02 3kqk n GLY 404 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqk n ASP 405 N -0.72 2.79 -3.63 1.61 8.00 -1.26 -4.68 116.55 118.65 3kqk n ASP 405 Ca 0.00 1.08 -0.11 0.00 0.71 0.00 0.00 54.79 56.48 3kqk n ASP 405 Cb 0.00 -1.37 -0.07 0.00 -0.02 0.00 0.00 41.12 39.67 3kqk n ASP 405 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kqk s VAL 406 N 1.09 0.00 -0.28 2.53 0.11 -0.03 -4.80 120.40 119.02 3kqk s VAL 406 Ca 0.81 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.79 3kqk s VAL 406 Cb -0.75 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.10 3kqk s VAL 406 CO 0.41 0.00 0.08 -0.63 -3.33 0.00 0.00 175.10 171.63 3kqk s ILE 407 N 0.20 4.07 -0.34 7.04 -1.09 0.33 -1.39 121.20 130.02 3kqk s ILE 407 Ca 0.02 -0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 3kqk s ILE 407 Cb -0.05 -3.03 -0.00 0.00 -1.58 0.00 0.00 42.46 37.80 3kqk s ILE 407 CO -0.04 0.17 0.20 -0.69 -1.23 0.00 0.00 174.94 173.36 3kqk s VAL 408 N 1.54 4.91 -0.43 2.92 1.01 0.31 -1.74 120.40 128.92 3kqk s VAL 408 Ca 0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3kqk s VAL 408 Cb -0.16 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.71 3kqk s VAL 408 CO 0.03 -0.03 0.32 -0.69 0.00 0.00 0.00 175.10 174.72 3kqk s VAL 409 N 1.65 4.92 0.31 2.92 1.01 -1.04 0.43 120.40 130.60 3kqk s VAL 409 Ca 0.05 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3kqk s VAL 409 Cb -0.18 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3kqk s VAL 409 CO 0.08 -0.45 0.29 0.00 0.00 0.00 0.00 175.10 175.02 3kqk s ALA 410 N 1.59 1.48 0.31 5.51 0.00 0.53 -1.01 121.76 130.16 3kqk s ALA 410 Ca 0.04 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3kqk s ALA 410 Cb -0.22 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.29 3kqk s ALA 410 CO 0.06 -0.68 0.00 0.25 0.00 0.00 0.00 175.76 175.39 3kqk n THR 411 N -0.54 0.00 -0.37 0.00 -2.24 -1.06 -1.37 114.28 108.70 3kqk n THR 411 Ca 0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 3kqk n THR 411 Cb 0.63 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.19 3kqk n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kqk n ASP 412 N 0.00 4.20 -4.63 3.42 8.00 -1.26 -4.83 116.55 121.45 3kqk n ASP 412 Ca 0.00 -2.24 -0.43 0.00 0.71 0.00 0.00 54.79 52.83 3kqk n ASP 412 Cb 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 3kqk n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqk s ALA 413 N -1.51 3.15 -0.41 2.24 0.00 -1.26 -4.84 121.76 119.12 3kqk s ALA 413 Ca 0.48 1.01 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 3kqk s ALA 413 Cb 0.28 -3.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 3kqk s ALA 413 CO 0.27 -2.19 2.21 -1.17 0.00 0.00 0.00 175.76 174.88 3kqk s LEU 414 N 6.38 3.41 -0.68 0.00 0.20 -1.26 -4.84 118.68 121.89 3kqk s LEU 414 Ca 0.93 1.24 -0.06 0.00 0.69 0.00 0.00 54.13 56.93 3kqk s LEU 414 Cb -0.37 -2.91 -0.10 0.00 -0.43 0.00 0.00 46.19 42.37 3kqk s LEU 414 CO 0.38 -2.42 2.38 0.23 -0.29 0.00 0.00 176.35 176.63 3kqk n MET 415 N 8.90 2.02 -1.57 1.98 2.81 -1.26 -4.93 117.12 125.06 3kqk n MET 415 Ca 0.31 -1.26 -0.46 0.00 -1.81 0.00 0.00 57.70 54.48 3kqk n MET 415 Cb 0.51 -2.27 -0.02 0.00 -0.71 0.00 0.00 33.22 30.73 3kqk n MET 415 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kqk n THR 416 N 3.56 1.78 -1.01 2.03 -1.04 -1.26 -3.21 114.28 115.13 3kqk n THR 416 Ca 0.43 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3kqk n THR 416 Cb 0.31 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 3kqk n THR 416 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqk n GLY 417 N 1.45 1.17 3.31 3.41 0.00 -1.26 -4.92 105.19 108.35 3kqk n GLY 417 Ca 0.11 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.71 3kqk n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqk s PHE 418 N -2.02 -0.47 0.17 1.61 5.36 -1.20 -5.04 117.98 116.39 3kqk s PHE 418 Ca 0.00 0.79 -0.29 0.00 -0.96 0.00 0.00 56.93 56.47 3kqk s PHE 418 Cb 0.00 0.27 -0.07 0.00 -0.34 0.00 0.00 43.02 42.88 3kqk s PHE 418 CO 0.00 -0.24 0.90 0.99 -1.46 0.00 0.00 175.22 175.41 3kqk s THR 419 N 2.37 4.32 0.00 0.12 2.01 -1.26 -4.91 115.64 118.29 3kqk s THR 419 Ca -0.01 1.97 0.00 0.00 0.31 0.00 0.00 61.69 63.96 3kqk s THR 419 Cb -0.05 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.19 3kqk s THR 419 CO -0.17 0.43 0.22 0.61 -0.69 0.00 0.00 174.62 175.03 3kqk n GLY 420 N 1.84 -2.17 2.63 4.40 0.00 -1.26 -4.95 105.19 105.68 3kqk n GLY 420 Ca -0.01 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3kqk n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqk n ASP 421 N -0.33 -4.87 -4.54 1.61 4.64 -1.26 -5.03 116.55 106.77 3kqk n ASP 421 Ca 0.00 -0.46 -0.34 0.00 -1.38 0.00 0.00 54.79 52.62 3kqk n ASP 421 Cb 0.00 -3.54 -0.12 0.00 -1.04 0.00 0.00 41.12 36.42 3kqk n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kqk s PHE 422 N -3.25 2.99 0.46 -0.67 0.08 -1.26 -4.87 117.98 111.47 3kqk s PHE 422 Ca 0.28 -0.16 0.27 0.00 0.12 0.00 0.00 56.93 57.44 3kqk s PHE 422 Cb -0.04 -1.85 1.52 0.00 -0.57 0.00 0.00 43.02 42.08 3kqk s PHE 422 CO 0.48 0.13 2.12 -0.44 -0.10 0.00 0.00 175.22 177.40 3kqk h ASP 423 N 6.05 0.00 -5.04 1.36 3.32 -1.29 -3.37 116.42 117.44 3kqk h ASP 423 Ca -0.39 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.74 3kqk h ASP 423 Cb 1.19 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 3kqk h ASP 423 CO 0.58 0.09 0.27 -0.94 -1.72 0.00 0.00 179.24 177.52 3kqk s SER 424 N -6.22 -0.29 -0.03 6.45 1.04 -1.25 -1.67 113.70 111.72 3kqk s SER 424 Ca -0.03 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 3kqk s SER 424 Cb 0.14 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.95 3kqk s SER 424 CO 0.58 -1.21 0.07 -0.69 0.98 0.00 0.00 173.24 172.97 3kqk s VAL 425 N -3.78 -0.04 -0.15 5.02 1.01 0.21 -2.54 120.40 120.13 3kqk s VAL 425 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 3kqk s VAL 425 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3kqk s VAL 425 CO 0.03 0.05 -0.11 -0.63 0.00 0.00 0.00 175.10 174.44 3kqk s ILE 426 N 0.74 3.10 -0.01 2.22 1.01 0.08 -0.18 121.20 128.16 3kqk s ILE 426 Ca -0.06 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.04 3kqk s ILE 426 Cb -0.08 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3kqk s ILE 426 CO -0.03 0.50 -0.23 -0.62 0.00 0.00 0.00 174.94 174.56 3kqk s ASP 427 N 0.66 2.74 0.00 3.58 3.68 0.10 -0.99 116.67 126.45 3kqk s ASP 427 Ca -0.06 -0.45 0.27 0.00 2.13 0.00 0.00 52.55 54.45 3kqk s ASP 427 Cb -0.15 -0.29 0.97 0.00 -1.45 0.00 0.00 42.92 42.00 3kqk s ASP 427 CO 0.02 0.27 1.72 0.00 0.13 0.00 0.00 175.17 177.31 3kqk n ASN 429 N -1.18 -5.47 -4.00 0.00 4.13 -1.26 -4.68 115.26 102.81 3kqk n ASN 429 Ca 0.10 -0.51 -0.10 0.00 1.68 0.00 0.00 54.58 55.75 3kqk n ASN 429 Cb 0.31 -4.38 -0.11 0.00 -1.54 0.00 0.00 39.78 34.07 3kqk n ASN 429 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3kqk s THR 430 N -3.21 0.21 0.04 3.41 -4.23 -1.26 -2.62 115.64 107.98 3kqk s THR 430 Ca 0.50 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 60.09 3kqk s THR 430 Cb -0.24 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 3kqk s THR 430 CO 0.62 -0.48 -0.12 0.00 -0.54 0.00 0.00 174.62 174.10 3kqk s VAL 432 N -0.90 5.10 0.42 0.00 1.01 -1.26 0.19 120.40 124.95 3kqk s VAL 432 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kqk s VAL 432 Cb -0.08 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 3kqk s VAL 432 CO 0.01 -0.40 0.01 1.07 0.00 0.00 0.00 175.10 175.79 3kqk n THR 433 N 5.41 0.00 -4.99 3.92 5.66 0.65 -4.93 114.28 120.00 3kqk n THR 433 Ca -0.08 -2.00 -0.30 0.00 -3.05 0.00 0.00 64.05 58.63 3kqk n THR 433 Cb 0.47 0.42 -0.15 0.00 -1.55 0.00 0.00 70.33 69.52 3kqk n THR 433 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3kqk s GLN 434 N -3.51 1.84 0.09 1.09 -0.21 -1.26 -0.33 119.66 117.36 3kqk s GLN 434 Ca 0.01 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 54.42 3kqk s GLN 434 Cb 0.00 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 32.05 3kqk s GLN 434 CO 0.01 0.51 -0.15 0.99 -2.12 0.00 0.00 175.29 174.53 3kqk s THR 435 N -0.74 1.21 -0.17 -0.19 2.01 0.18 -4.84 115.64 113.11 3kqk s THR 435 Ca 0.11 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 3kqk s THR 435 Cb -0.10 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3kqk s THR 435 CO 0.01 -0.26 0.03 0.54 -0.69 0.00 0.00 174.62 174.25 3kqk s VAL 436 N -1.50 4.51 -0.11 3.82 0.11 -1.26 -0.92 120.40 125.05 3kqk s VAL 436 Ca 0.01 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 3kqk s VAL 436 Cb -0.09 -3.01 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 3kqk s VAL 436 CO 0.03 0.48 -0.15 -0.62 -3.33 0.00 0.00 175.10 171.51 3kqk s ASP 437 N 0.25 2.43 -1.34 3.54 2.15 0.20 -4.94 116.67 118.95 3kqk s ASP 437 Ca 0.02 -0.42 -0.09 0.00 0.43 0.00 0.00 52.55 52.48 3kqk s ASP 437 Cb -0.13 -1.08 0.12 0.00 -0.30 0.00 0.00 42.92 41.53 3kqk s ASP 437 CO 0.01 0.01 2.11 0.49 -0.17 0.00 0.00 175.17 177.62 3kqk n PHE 438 N 4.25 2.90 1.12 -5.34 3.72 -1.26 0.15 117.46 123.00 3kqk n PHE 438 Ca -0.19 -2.84 0.05 0.00 -0.05 0.00 0.00 57.45 54.42 3kqk n PHE 438 Cb 0.51 -2.05 0.29 0.00 -0.94 0.00 0.00 39.48 37.30 3kqk n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kqk n SER 439 N 3.69 0.00 -4.49 4.37 3.41 -1.25 -4.87 113.62 114.48 3kqk n SER 439 Ca 0.49 -0.81 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 3kqk n SER 439 Cb 0.33 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3kqk n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqk n LEU 440 N -0.77 -0.82 -3.16 1.04 4.77 0.16 -4.85 117.00 113.37 3kqk n LEU 440 Ca 0.07 -1.23 -0.22 0.00 -0.03 0.00 0.00 56.01 54.60 3kqk n LEU 440 Cb 0.03 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 39.51 3kqk n LEU 440 CO 0.06 0.10 -0.14 -0.90 -1.33 0.00 0.00 177.39 175.18 3kqk n ASP 441 N -2.41 1.74 0.04 -1.43 5.75 -1.26 -4.49 116.55 114.48 3kqk n ASP 441 Ca 0.11 -3.12 0.03 0.00 -0.01 0.00 0.00 54.79 51.80 3kqk n ASP 441 Cb 0.45 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 39.84 3kqk n ASP 441 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3kqk n PRO 442 N 0.48 0.63 0.00 0.11 -0.04 -1.26 -4.90 135.00 130.02 3kqk n PRO 442 Ca 0.26 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3kqk n PRO 442 Cb 0.55 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3kqk n PRO 442 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kqk n THR 443 N -2.76 0.00 -4.29 0.52 -2.24 -1.26 -4.87 114.28 99.37 3kqk n THR 443 Ca -0.08 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 3kqk n THR 443 Cb 0.76 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 3kqk n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kqk s PHE 444 N 0.72 1.47 -0.02 4.78 -0.12 -1.26 -0.66 117.98 122.88 3kqk s PHE 444 Ca 0.00 -1.25 0.03 0.00 -0.05 0.00 0.00 56.93 55.66 3kqk s PHE 444 Cb 0.00 -0.82 -0.00 0.00 -0.63 0.00 0.00 43.02 41.57 3kqk s PHE 444 CO 0.00 -0.43 -0.10 0.99 -0.05 0.00 0.00 175.22 175.64 3kqk s THR 445 N -3.82 0.80 -0.39 -4.49 2.01 0.40 -1.54 115.64 108.61 3kqk s THR 445 Ca 0.38 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 3kqk s THR 445 Cb 0.07 -0.69 0.10 0.00 0.01 0.00 0.00 72.50 71.99 3kqk s THR 445 CO 0.14 0.24 0.15 -0.63 -0.69 0.00 0.00 174.62 173.83 3kqk s ILE 446 N 0.03 3.02 0.01 1.82 -1.09 -0.25 0.60 121.20 125.35 3kqk s ILE 446 Ca -0.01 -2.09 0.05 0.00 -2.23 0.00 0.00 60.65 56.38 3kqk s ILE 446 Cb -0.07 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 3kqk s ILE 446 CO 0.00 -0.64 -0.15 -1.83 -1.23 0.00 0.00 174.94 171.10 3kqk s GLU 447 N 1.09 2.28 -0.01 2.79 -1.05 -0.10 -3.83 118.70 119.87 3kqk s GLU 447 Ca 0.08 -0.85 -0.10 0.00 -0.15 0.00 0.00 54.97 53.95 3kqk s GLU 447 Cb -0.22 -2.30 -0.05 0.00 -0.44 0.00 0.00 34.13 31.12 3kqk s GLU 447 CO -0.05 0.57 0.31 0.95 0.95 0.00 0.00 175.26 177.99 3kqk s THR 448 N -0.89 5.22 0.27 1.83 -4.23 -1.26 0.50 115.64 117.08 3kqk s THR 448 Ca 0.14 0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 3kqk s THR 448 Cb -0.11 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3kqk s THR 448 CO 0.04 0.47 0.50 0.42 -0.54 0.00 0.00 174.62 175.51 3kqk s THR 449 N -1.20 0.00 -0.09 3.99 -4.23 0.55 -4.95 115.64 109.72 3kqk s THR 449 Ca 0.25 -1.42 -0.11 0.00 -1.18 0.00 0.00 61.69 59.23 3kqk s THR 449 Cb -0.14 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 3kqk s THR 449 CO 0.13 0.00 0.26 0.42 -0.54 0.00 0.00 174.62 174.89 3kqk s THR 450 N -3.72 5.30 0.00 3.99 -4.23 -1.26 -0.25 115.64 115.48 3kqk s THR 450 Ca 0.24 0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 3kqk s THR 450 Cb -0.01 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 3kqk s THR 450 CO 0.11 0.56 0.07 0.54 -0.54 0.00 0.00 174.62 175.36 3kqk s VAL 451 N -0.73 0.08 0.23 2.29 0.11 0.13 -4.94 120.40 117.57 3kqk s VAL 451 Ca 0.18 -0.68 -0.32 0.00 -2.93 0.00 0.00 61.98 58.24 3kqk s VAL 451 Cb -0.14 -0.33 -0.12 0.00 -1.53 0.00 0.00 36.38 34.26 3kqk s VAL 451 CO 0.07 -0.37 1.64 -0.81 -3.33 0.00 0.00 175.10 172.29 3kqk n PRO 452 N 1.73 2.60 -0.71 1.54 -0.04 -1.26 -0.07 135.00 138.78 3kqk n PRO 452 Ca -0.22 0.93 -0.32 0.00 -0.04 0.00 0.00 63.50 63.85 3kqk n PRO 452 Cb 0.56 -2.73 0.16 0.00 -0.04 0.00 0.00 33.50 31.44 3kqk n PRO 452 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqk n GLN 453 N 3.16 -0.90 -2.59 0.54 10.64 -1.08 -4.77 117.38 122.38 3kqk n GLN 453 Ca 0.13 -0.22 -0.13 0.00 -1.83 0.00 0.00 57.00 54.95 3kqk n GLN 453 Cb 0.34 -1.93 0.01 0.00 -0.86 0.00 0.00 30.24 27.80 3kqk n GLN 453 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3kqk n ASP 454 N -2.27 1.77 -0.01 2.61 3.85 -1.26 -3.58 116.55 117.66 3kqk n ASP 454 Ca 0.06 -1.96 -0.09 0.00 -0.71 0.00 0.00 54.79 52.08 3kqk n ASP 454 Cb 0.56 -0.06 -0.03 0.00 -1.35 0.00 0.00 41.12 40.23 3kqk n ASP 454 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kqk h ALA 455 N 0.63 0.04 -0.32 2.12 0.00 -1.78 -1.96 119.26 117.99 3kqk h ALA 455 Ca -0.18 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kqk h ALA 455 Cb 0.67 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3kqk h ALA 455 CO 0.27 -0.53 0.09 0.28 0.00 0.00 0.00 179.25 179.37 3kqk h VAL 456 N -0.07 0.88 -0.10 0.00 2.07 -1.90 -0.70 116.25 116.43 3kqk h VAL 456 Ca 0.08 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3kqk h VAL 456 Cb 0.20 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3kqk h VAL 456 CO -0.19 0.04 0.03 -1.28 0.02 0.00 0.00 177.57 176.19 3kqk h SER 457 N 0.22 0.04 -0.95 0.57 0.87 -1.92 -1.01 113.55 111.35 3kqk h SER 457 Ca 0.15 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3kqk h SER 457 Cb 0.14 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 3kqk h SER 457 CO -0.17 0.04 0.62 -0.09 -0.53 0.00 0.00 176.83 176.70 3kqk h ARG 458 N 0.08 1.17 -0.45 2.24 2.43 -1.07 0.78 114.38 119.56 3kqk h ARG 458 Ca 0.04 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3kqk h ARG 458 Cb 0.02 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3kqk h ARG 458 CO -0.04 0.77 -0.02 0.77 -1.51 0.00 0.00 179.97 179.95 3kqk h SER 459 N 1.20 0.80 -0.04 -3.80 0.02 -0.85 -1.27 113.55 109.62 3kqk h SER 459 Ca 0.38 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3kqk h SER 459 Cb 0.01 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3kqk h SER 459 CO -0.12 0.92 -0.01 1.56 -1.14 0.00 0.00 176.83 178.03 3kqk h GLN 460 N 0.65 0.08 -0.11 3.45 4.20 -0.71 0.32 115.11 122.99 3kqk h GLN 460 Ca 0.13 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.85 3kqk h GLN 460 Cb 0.52 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 3kqk h GLN 460 CO 0.03 0.43 -0.39 0.00 -0.67 0.00 0.00 178.83 178.23 3kqk h ARG 461 N -0.29 -0.46 -0.54 1.46 2.47 -0.84 -1.62 114.38 114.57 3kqk h ARG 461 Ca 0.01 0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 3kqk h ARG 461 Cb 0.41 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 3kqk h ARG 461 CO 0.00 -0.31 0.14 -0.09 0.56 0.00 0.00 179.97 180.28 3kqk h ARG 462 N -0.48 0.81 0.00 0.04 2.43 -1.22 -2.80 114.38 113.17 3kqk h ARG 462 Ca 0.08 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3kqk h ARG 462 Cb 0.61 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3kqk h ARG 462 CO -0.37 0.73 0.00 0.41 -1.51 0.00 0.00 179.97 179.22 3kqk n GLY 463 N -0.89 -0.28 0.05 2.80 0.00 0.11 -1.93 105.19 105.04 3kqk n GLY 463 Ca 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.18 3kqk n GLY 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqk n ARG 464 N -1.11 0.74 -4.42 1.61 5.12 -1.06 -4.84 116.66 112.71 3kqk n ARG 464 Ca 0.04 -0.09 -0.22 0.00 -1.93 0.00 0.00 57.85 55.64 3kqk n ARG 464 Cb 0.03 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.74 3kqk n ARG 464 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3kqk s THR 465 N -2.33 0.53 -1.49 0.55 -1.32 -0.81 -4.06 115.64 106.71 3kqk s THR 465 Ca 0.36 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.79 3kqk s THR 465 Cb 0.21 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.74 3kqk s THR 465 CO 0.43 0.00 0.44 0.61 -2.21 0.00 0.00 174.62 173.89 3kqk n GLY 466 N -0.73 -0.51 3.50 6.08 0.00 -1.26 -4.87 105.19 107.40 3kqk n GLY 466 Ca -0.02 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3kqk n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqk s ARG 467 N -5.62 3.15 0.00 1.61 0.52 -1.26 -4.15 118.95 113.20 3kqk s ARG 467 Ca 0.26 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3kqk s ARG 467 Cb -0.12 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.15 3kqk s ARG 467 CO 0.31 -1.96 0.00 0.41 0.02 0.00 0.00 175.30 174.09 3kqk n GLY 468 N 5.34 1.64 0.00 -3.53 0.00 -1.26 -4.89 105.19 102.50 3kqk n GLY 468 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3kqk n GLY 468 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kqk n ARG 469 N 0.00 3.50 -4.62 1.61 1.85 -1.26 -5.09 116.66 112.64 3kqk n ARG 469 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 3kqk n ARG 469 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 3kqk n ARG 469 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3kqk s MET 470 N 3.98 3.43 0.17 2.89 -1.94 -1.26 -4.68 119.30 121.89 3kqk s MET 470 Ca 0.00 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 3kqk s MET 470 Cb 0.00 -2.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.06 3kqk s MET 470 CO 0.00 0.27 -0.01 0.20 -0.01 0.00 0.00 175.02 175.47 3kqk s GLY 471 N 0.23 1.22 -0.03 -0.03 0.00 -1.09 -4.61 107.32 103.01 3kqk s GLY 471 Ca -0.06 -1.59 0.07 0.00 0.00 0.00 0.00 44.72 43.14 3kqk s GLY 471 CO 0.04 -1.55 -0.23 -0.42 0.00 0.00 0.00 173.10 170.95 3kqk s ILE 472 N -3.59 2.35 -0.25 0.90 1.01 -0.67 -1.75 121.20 119.19 3kqk s ILE 472 Ca 0.23 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.91 3kqk s ILE 472 Cb 0.06 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.74 3kqk s ILE 472 CO 0.04 0.58 -0.09 -0.47 0.00 0.00 0.00 174.94 175.00 3kqk s TYR 473 N -0.60 2.98 -0.22 3.97 5.04 0.18 0.65 117.35 129.34 3kqk s TYR 473 Ca 0.09 -2.15 -0.08 0.00 -2.44 0.00 0.00 57.07 52.49 3kqk s TYR 473 Cb -0.10 -1.83 -0.04 0.00 0.35 0.00 0.00 41.96 40.33 3kqk s TYR 473 CO -0.00 -0.85 0.10 1.03 -1.34 0.00 0.00 175.55 174.49 3kqk s ARG 474 N 1.20 3.92 0.42 4.97 0.52 0.74 -0.85 118.95 129.88 3kqk s ARG 474 Ca -0.07 -0.35 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3kqk s ARG 474 Cb -0.20 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 3kqk s ARG 474 CO -0.06 0.07 0.03 -0.59 0.02 0.00 0.00 175.30 174.78 3kqk s PHE 475 N 0.95 2.11 -0.17 -0.53 -0.71 -1.18 -0.72 117.98 117.73 3kqk s PHE 475 Ca 0.05 -0.90 0.01 0.00 -1.04 0.00 0.00 56.93 55.05 3kqk s PHE 475 Cb -0.14 -1.54 -0.11 0.00 -1.21 0.00 0.00 43.02 40.02 3kqk s PHE 475 CO 0.03 0.19 -0.15 0.28 -1.34 0.00 0.00 175.22 174.23 3kqk n VAL 476 N -0.99 0.95 -5.27 -2.49 0.31 -1.18 -0.94 118.33 108.72 3kqk n VAL 476 Ca -0.09 -0.36 -0.31 0.00 -0.01 0.00 0.00 64.34 63.57 3kqk n VAL 476 Cb 0.67 -1.09 -0.16 0.00 -0.91 0.00 0.00 33.84 32.34 3kqk n VAL 476 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kqk s THR 477 N -2.33 2.04 0.00 2.52 2.01 -1.26 -4.85 115.64 113.76 3kqk s THR 477 Ca -0.22 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.70 3kqk s THR 477 Cb 0.06 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3kqk s THR 477 CO 0.38 0.57 0.12 -0.81 -0.69 0.00 0.00 174.62 174.20 3kqk n PRO 478 N 2.79 0.00 -0.84 4.92 -0.04 -1.26 -4.93 135.00 135.65 3kqk n PRO 478 Ca -0.17 0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 3kqk n PRO 478 Cb 0.52 -0.73 0.13 0.00 -0.04 0.00 0.00 33.50 33.38 3kqk n PRO 478 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqk n GLY 479 N 1.78 -1.19 3.09 0.55 0.00 -1.26 -5.05 105.19 103.12 3kqk n GLY 479 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3kqk n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kqk s GLU 480 N -3.94 0.62 -0.23 1.61 -1.05 -1.26 -5.02 118.70 109.42 3kqk s GLU 480 Ca 0.63 -1.18 -0.18 0.00 -0.15 0.00 0.00 54.97 54.09 3kqk s GLU 480 Cb -0.24 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.56 3kqk s GLU 480 CO 0.61 -0.09 0.50 -0.98 0.95 0.00 0.00 175.26 176.25 3kqk s ARG 481 N -3.68 4.13 0.17 -4.83 1.70 -1.23 -4.89 118.95 110.31 3kqk s ARG 481 Ca 0.06 0.34 -0.33 0.00 -0.47 0.00 0.00 55.73 55.32 3kqk s ARG 481 Cb 0.06 -3.60 -0.15 0.00 -0.57 0.00 0.00 34.95 30.69 3kqk s ARG 481 CO -0.08 -0.22 1.36 -2.30 -1.08 0.00 0.00 175.30 172.98 3kqk n PRO 482 N 5.07 1.62 -0.97 3.89 -0.02 -1.26 -2.66 135.00 140.66 3kqk n PRO 482 Ca -0.05 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.76 3kqk n PRO 482 Cb 0.50 -2.21 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 3kqk n PRO 482 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kqk n SER 483 N 2.47 -1.61 0.00 2.55 3.41 -1.23 -4.70 113.62 114.52 3kqk n SER 483 Ca 0.15 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3kqk n SER 483 Cb 0.26 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3kqk n SER 483 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqk n GLY 484 N -3.35 1.09 3.06 5.00 0.00 -1.26 -1.14 105.19 108.59 3kqk n GLY 484 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3kqk n GLY 484 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kqk s MET 485 N -0.34 0.25 0.03 1.61 -1.94 -1.26 -0.35 119.30 117.30 3kqk s MET 485 Ca 0.00 0.11 -0.02 0.00 -1.71 0.00 0.00 55.69 54.08 3kqk s MET 485 Cb 0.00 0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.93 3kqk s MET 485 CO 0.00 -0.04 0.00 -0.59 -0.01 0.00 0.00 175.02 174.38 3kqk s PHE 486 N -0.18 0.30 0.72 -0.03 -0.12 -0.49 -4.92 117.98 113.26 3kqk s PHE 486 Ca -0.03 -0.63 -0.14 0.00 -0.05 0.00 0.00 56.93 56.09 3kqk s PHE 486 Cb -0.02 -0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.18 3kqk s PHE 486 CO 0.00 -0.27 1.13 0.34 -0.05 0.00 0.00 175.22 176.38 3kqk s ASP 487 N -1.92 4.57 0.50 1.98 2.15 -1.26 -4.51 116.67 118.18 3kqk s ASP 487 Ca -0.09 2.07 0.22 0.00 0.43 0.00 0.00 52.55 55.19 3kqk s ASP 487 Cb -0.04 -2.56 1.31 0.00 -0.30 0.00 0.00 42.92 41.33 3kqk s ASP 487 CO -0.04 -1.99 2.06 -1.28 -0.17 0.00 0.00 175.17 173.75 3kqk h SER 488 N -0.43 0.00 -0.26 -0.34 0.87 -1.94 -2.27 113.55 109.18 3kqk h SER 488 Ca -0.46 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.18 3kqk h SER 488 Cb 1.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 3kqk h SER 488 CO 0.51 0.13 0.23 0.77 -0.53 0.00 0.00 176.83 177.95 3kqk h SER 489 N 0.00 0.00 -0.39 6.23 4.64 -1.91 0.20 113.55 122.32 3kqk h SER 489 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3kqk h SER 489 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3kqk h SER 489 CO 0.02 0.00 -0.26 0.58 -0.87 0.00 0.00 176.83 176.30 3kqk h VAL 490 N 0.00 1.27 -0.63 0.95 2.07 -1.76 -0.70 116.25 117.45 3kqk h VAL 490 Ca 0.12 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3kqk h VAL 490 Cb 0.59 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3kqk h VAL 490 CO -0.00 0.48 0.34 -0.07 0.02 0.00 0.00 177.57 178.34 3kqk h LEU 491 N 0.78 0.77 -0.71 2.57 3.38 -0.76 -1.15 115.31 120.19 3kqk h LEU 491 Ca 0.09 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kqk h LEU 491 Cb 0.82 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3kqk h LEU 491 CO 0.07 0.63 0.29 0.00 0.09 0.00 0.00 178.44 179.52 3kqk h GLU 493 N 1.02 0.82 0.31 0.00 5.08 0.03 -0.96 114.58 120.88 3kqk h GLU 493 Ca 0.24 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3kqk h GLU 493 Cb 0.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kqk h GLU 493 CO -0.02 0.62 -0.15 0.00 -1.00 0.00 0.00 179.01 178.46 3kqk h TYR 495 N -0.51 1.03 -0.16 0.00 0.05 -1.22 0.30 116.97 116.47 3kqk h TYR 495 Ca -0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3kqk h TYR 495 Cb 0.38 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3kqk h TYR 495 CO -0.03 0.56 0.07 0.22 -1.05 0.00 0.00 178.16 177.93 3kqk h ASP 496 N 1.03 0.22 0.34 3.88 1.82 -0.79 -2.27 116.42 120.64 3kqk h ASP 496 Ca 0.37 -0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.85 3kqk h ASP 496 Cb 0.16 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.11 3kqk h ASP 496 CO -0.13 0.30 -0.16 0.00 -1.61 0.00 0.00 179.24 177.64 3kqk h ALA 497 N 0.92 -0.45 -0.92 -0.78 0.00 0.01 -0.21 119.26 117.83 3kqk h ALA 497 Ca 0.05 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.08 3kqk h ALA 497 Cb 0.15 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kqk h ALA 497 CO -0.01 -0.66 0.83 0.78 0.00 0.00 0.00 179.25 180.19 3kqk h GLY 498 N -0.63 0.00 0.74 0.00 0.00 -0.37 0.47 103.07 103.28 3kqk h GLY 498 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 3kqk h GLY 498 CO 0.08 0.00 -1.60 0.00 0.00 0.00 0.00 176.54 175.01 3kqk n ALA 500 N -2.42 1.43 -0.05 0.00 0.00 0.10 -4.63 120.51 114.94 3kqk n ALA 500 Ca -0.12 -1.14 -0.09 0.00 0.00 0.00 0.00 53.44 52.09 3kqk n ALA 500 Cb 0.85 -0.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 3kqk n ALA 500 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3kqk n TRP 501 N -3.00 0.00 -0.67 0.00 7.02 0.12 -4.79 117.44 116.11 3kqk n TRP 501 Ca -0.35 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.21 3kqk n TRP 501 Cb 1.08 -0.34 0.37 0.00 -2.42 0.00 0.00 31.31 30.00 3kqk n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kqk n TYR 502 N -3.28 1.75 -4.23 -5.99 4.01 -1.16 -4.95 117.16 103.31 3kqk n TYR 502 Ca -0.18 -0.64 -0.31 0.00 -0.16 0.00 0.00 57.90 56.61 3kqk n TYR 502 Cb 0.64 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 39.21 3kqk n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kqk n GLU 503 N 0.81 -1.32 -4.47 -0.72 1.02 -0.99 -4.94 120.64 110.02 3kqk n GLU 503 Ca 0.26 0.15 -0.34 0.00 -0.02 0.00 0.00 57.16 57.21 3kqk n GLU 503 Cb 1.03 -3.68 -0.13 0.00 -0.02 0.00 0.00 31.44 28.64 3kqk n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kqk s LEU 504 N -7.31 3.08 0.64 -4.62 1.43 0.66 -5.00 118.68 107.57 3kqk s LEU 504 Ca 0.04 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 3kqk s LEU 504 Cb -0.02 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3kqk s LEU 504 CO 0.98 0.16 1.11 0.42 0.23 0.00 0.00 176.35 179.24 3kqk s THR 505 N 0.43 3.24 0.42 5.49 -4.23 -1.26 -3.85 115.64 115.88 3kqk s THR 505 Ca -0.05 0.61 0.20 0.00 -1.18 0.00 0.00 61.69 61.27 3kqk s THR 505 Cb -0.15 -3.14 0.41 0.00 1.34 0.00 0.00 72.50 70.96 3kqk s THR 505 CO 0.03 -0.33 1.79 -0.65 -0.54 0.00 0.00 174.62 174.93 3kqk h PRO 506 N 0.24 0.34 -0.10 3.99 0.11 -1.91 0.88 132.00 135.54 3kqk h PRO 506 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kqk h PRO 506 Cb 1.25 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kqk h PRO 506 CO 0.55 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 3kqk h ALA 507 N 1.60 0.13 -0.80 -0.75 0.00 -1.90 -0.85 119.26 116.69 3kqk h ALA 507 Ca 0.57 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.36 3kqk h ALA 507 Cb 1.54 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 3kqk h ALA 507 CO -0.25 -0.19 0.50 0.93 0.00 0.00 0.00 179.25 180.24 3kqk h GLU 508 N -0.09 0.91 -0.77 0.00 5.08 -1.21 -1.64 114.58 116.86 3kqk h GLU 508 Ca 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3kqk h GLU 508 Cb 0.33 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3kqk h GLU 508 CO 0.00 0.60 0.30 1.15 -1.00 0.00 0.00 179.01 180.07 3kqk h THR 509 N 0.94 1.26 -0.54 1.13 2.02 -1.12 -2.93 112.91 113.66 3kqk h THR 509 Ca 0.34 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.72 3kqk h THR 509 Cb 0.10 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3kqk h THR 509 CO -0.15 0.33 0.33 0.28 0.37 0.00 0.00 175.52 176.69 3kqk h SER 510 N 1.12 0.54 0.13 4.18 0.02 -0.20 -0.39 113.55 118.96 3kqk h SER 510 Ca 0.26 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3kqk h SER 510 Cb 0.22 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3kqk h SER 510 CO -0.02 0.38 -0.27 0.58 -1.14 0.00 0.00 176.83 176.36 3kqk h VAL 511 N 0.66 0.41 -0.47 2.27 2.07 -1.28 0.60 116.25 120.51 3kqk h VAL 511 Ca 0.22 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.77 3kqk h VAL 511 Cb 0.01 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3kqk h VAL 511 CO -0.09 0.00 0.25 0.03 0.02 0.00 0.00 177.57 177.78 3kqk h ARG 512 N -0.49 0.48 -0.33 1.57 3.08 -1.36 -1.06 114.38 116.28 3kqk h ARG 512 Ca 0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3kqk h ARG 512 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3kqk h ARG 512 CO -0.15 0.32 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.93 3kqk h LEU 513 N 0.50 0.52 -0.36 3.04 3.38 -0.72 -2.60 115.31 119.06 3kqk h LEU 513 Ca 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3kqk h LEU 513 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kqk h LEU 513 CO -0.13 0.64 0.16 -0.09 0.09 0.00 0.00 178.44 179.11 3kqk h ARG 514 N 0.51 0.52 -0.64 1.13 9.65 0.11 -0.91 114.38 124.75 3kqk h ARG 514 Ca 0.10 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3kqk h ARG 514 Cb 0.43 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.89 3kqk h ARG 514 CO 0.02 0.48 0.42 0.00 2.80 0.00 0.00 179.97 183.70 3kqk h ALA 515 N 1.01 1.76 -0.38 2.80 0.00 -0.97 0.02 119.26 123.50 3kqk h ALA 515 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3kqk h ALA 515 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kqk h ALA 515 CO -0.01 0.14 -0.23 -0.92 0.00 0.00 0.00 179.25 178.23 3kqk h TYR 516 N 0.65 0.97 0.00 0.00 5.03 -1.02 -2.83 116.97 119.78 3kqk h TYR 516 Ca 0.27 -0.25 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 3kqk h TYR 516 Cb 0.24 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 3kqk h TYR 516 CO -0.00 1.03 -0.27 -0.07 -1.32 0.00 0.00 178.16 177.53 3kqk h LEU 517 N 0.63 0.00 0.00 2.82 4.07 -0.20 -2.90 115.31 119.74 3kqk h LEU 517 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3kqk h LEU 517 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3kqk h LEU 517 CO 0.07 0.27 -0.07 0.78 -1.08 0.00 0.00 178.44 178.40 3kqk h ASN 518 N 0.00 0.00 -3.25 -0.43 -0.26 -0.94 -3.44 115.58 107.25 3kqk h ASN 518 Ca -0.00 -0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.15 3kqk h ASN 518 Cb 0.81 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.99 3kqk h ASN 518 CO 0.03 0.00 0.63 -0.89 -1.06 0.00 0.00 177.43 176.15 3kqk s THR 519 N -3.21 4.72 0.91 2.81 2.01 -1.08 -5.05 115.64 116.75 3kqk s THR 519 Ca 0.07 1.68 -0.12 0.00 0.31 0.00 0.00 61.69 63.63 3kqk s THR 519 Cb 0.06 -4.24 0.14 0.00 0.01 0.00 0.00 72.50 68.47 3kqk s THR 519 CO 0.67 -0.22 1.10 -2.84 -0.69 0.00 0.00 174.62 172.65 3kqk s PRO 520 N 3.13 1.17 0.00 4.92 0.02 -1.26 -3.82 135.00 139.16 3kqk s PRO 520 Ca 0.39 0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.98 3kqk s PRO 520 Cb -0.14 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3kqk s PRO 520 CO 0.09 -2.24 0.00 0.41 -0.33 0.00 0.00 177.00 174.94 3kqk n GLY 521 N -1.59 1.44 3.75 0.52 0.00 -1.26 -5.02 105.19 103.03 3kqk n GLY 521 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3kqk n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqk s LEU 522 N 0.00 3.57 0.33 0.99 1.43 -1.25 -4.52 118.68 119.23 3kqk s LEU 522 Ca 0.00 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 3kqk s LEU 522 Cb 0.00 -2.13 -0.13 0.00 0.03 0.00 0.00 46.19 43.96 3kqk s LEU 522 CO 0.00 0.00 1.02 -2.65 0.23 0.00 0.00 176.35 174.95 3kqk n PRO 523 N -0.88 1.40 -4.05 1.29 -0.02 -1.26 -4.95 135.00 126.53 3kqk n PRO 523 Ca -0.08 0.49 -0.26 0.00 -2.02 0.00 0.00 63.50 61.64 3kqk n PRO 523 Cb 0.58 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 3kqk n PRO 523 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kqk s VAL 524 N -1.12 1.91 -0.12 -1.45 -7.23 0.53 -4.91 120.40 108.00 3kqk s VAL 524 Ca 0.59 -1.61 -0.34 0.00 -1.81 0.00 0.00 61.98 58.82 3kqk s VAL 524 Cb -0.66 -2.52 0.14 0.00 0.56 0.00 0.00 36.38 33.91 3kqk s VAL 524 CO 0.60 0.00 1.35 0.00 -0.31 0.00 0.00 175.10 176.74 3kqk n GLN 526 N -0.34 1.91 -2.75 0.00 6.02 -1.26 -4.88 117.38 116.07 3kqk n GLN 526 Ca -0.05 0.68 -0.43 0.00 -0.01 0.00 0.00 57.00 57.19 3kqk n GLN 526 Cb 0.61 -2.37 -0.02 0.00 1.02 0.00 0.00 30.24 29.49 3kqk n GLN 526 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kqk s ASP 527 N -0.54 6.68 -0.24 1.08 -1.08 -1.26 -4.76 116.67 116.55 3kqk s ASP 527 Ca 0.61 -2.02 0.13 0.00 -0.52 0.00 0.00 52.55 50.74 3kqk s ASP 527 Cb -0.51 -2.49 0.50 0.00 -1.46 0.00 0.00 42.92 38.96 3kqk s ASP 527 CO 0.58 -1.19 1.42 1.41 0.52 0.00 0.00 175.17 177.91 3kqk n HIS 528 N 7.52 0.93 0.14 -5.34 8.25 -1.26 -4.75 115.22 120.71 3kqk n HIS 528 Ca 0.33 -1.28 -0.13 0.00 -0.26 0.00 0.00 57.72 56.37 3kqk n HIS 528 Cb 0.48 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3kqk n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kqk h LEU 529 N 1.20 -0.48 -1.12 2.41 3.38 -2.00 -1.57 115.31 117.14 3kqk h LEU 529 Ca 0.12 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.26 3kqk h LEU 529 Cb 1.52 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.36 3kqk h LEU 529 CO 0.29 -0.27 0.61 -0.08 0.09 0.00 0.00 178.44 179.08 3kqk h GLU 530 N -0.40 0.86 0.71 1.13 4.81 -1.99 0.41 114.58 120.11 3kqk h GLU 530 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3kqk h GLU 530 Cb 0.37 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.57 3kqk h GLU 530 CO -0.04 0.57 -0.34 0.35 -0.73 0.00 0.00 179.01 178.81 3kqk h PHE 531 N 0.88 -0.88 -0.80 0.92 3.57 -1.77 -1.94 116.94 116.91 3kqk h PHE 531 Ca 0.47 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.05 3kqk h PHE 531 Cb 0.56 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 3kqk h PHE 531 CO -0.00 -0.55 0.52 -1.49 -2.23 0.00 0.00 178.31 174.56 3kqk h TRP 532 N -1.17 0.80 -0.30 0.41 -0.00 -1.15 -0.02 115.95 114.52 3kqk h TRP 532 Ca -0.10 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.77 3kqk h TRP 532 Cb 0.73 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.61 3kqk h TRP 532 CO 0.01 0.38 -0.03 1.49 -0.00 0.00 0.00 178.44 180.29 3kqk h GLU 533 N 0.75 0.46 -0.04 0.49 4.81 -0.82 -1.97 114.58 118.26 3kqk h GLU 533 Ca 0.37 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3kqk h GLU 533 Cb 0.43 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3kqk h GLU 533 CO -0.14 0.51 -0.01 0.77 -0.73 0.00 0.00 179.01 179.41 3kqk h SER 534 N 0.44 0.07 0.18 1.04 0.02 -0.21 -1.88 113.55 113.21 3kqk h SER 534 Ca 0.10 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3kqk h SER 534 Cb 0.34 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 3kqk h SER 534 CO 0.01 0.40 -0.38 0.58 -1.14 0.00 0.00 176.83 176.30 3kqk h VAL 535 N -0.26 0.22 -0.16 2.27 2.07 -1.03 -2.60 116.25 116.76 3kqk h VAL 535 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 3kqk h VAL 535 Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3kqk h VAL 535 CO 0.00 0.00 -0.19 -0.26 0.02 0.00 0.00 177.57 177.14 3kqk h PHE 536 N -0.65 0.29 -0.07 1.57 -1.00 -1.42 -2.53 116.94 113.14 3kqk h PHE 536 Ca 0.01 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.77 3kqk h PHE 536 Cb 0.66 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 3kqk h PHE 536 CO -0.31 0.45 0.08 1.15 -1.61 0.00 0.00 178.31 178.08 3kqk h THR 537 N 0.25 0.45 -0.00 -1.55 2.02 -0.94 -1.01 112.91 112.13 3kqk h THR 537 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3kqk h THR 537 Cb 0.49 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3kqk h THR 537 CO 0.03 0.00 -0.51 0.61 0.37 0.00 0.00 175.52 176.03 3kqk n GLY 538 N -1.33 -1.05 2.78 2.16 0.00 -0.95 -4.53 105.19 102.26 3kqk n GLY 538 Ca -0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3kqk n GLY 538 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqk n LEU 539 N -1.28 6.88 -4.96 0.99 4.77 -0.38 -4.97 117.00 118.04 3kqk n LEU 539 Ca 0.07 -4.50 -0.22 0.00 -0.03 0.00 0.00 56.01 51.33 3kqk n LEU 539 Cb 0.34 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 39.89 3kqk n LEU 539 CO 0.34 1.36 0.07 0.42 -1.33 0.00 0.00 177.39 178.25 3kqk s THR 540 N 1.19 4.91 -1.15 -5.08 -4.23 -1.26 -4.64 115.64 105.38 3kqk s THR 540 Ca 0.44 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 3kqk s THR 540 Cb 0.12 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 3kqk s THR 540 CO -0.03 -0.37 0.89 1.41 -0.54 0.00 0.00 174.62 175.97 3kqk n HIS 541 N -1.62 -2.22 -1.87 3.99 8.25 -1.26 -4.99 115.22 115.50 3kqk n HIS 541 Ca -0.05 0.83 -0.31 0.00 -0.26 0.00 0.00 57.72 57.92 3kqk n HIS 541 Cb 0.57 -4.39 0.02 0.00 1.12 0.00 0.00 29.99 27.31 3kqk n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kqk s ILE 542 N -3.44 4.34 -0.67 1.59 2.07 -1.26 -4.94 121.20 118.88 3kqk s ILE 542 Ca 0.24 0.85 -0.27 0.00 -1.41 0.00 0.00 60.65 60.06 3kqk s ILE 542 Cb -0.04 -3.62 0.01 0.00 0.13 0.00 0.00 42.46 38.93 3kqk s ILE 542 CO 0.76 -0.90 1.51 -0.62 -1.91 0.00 0.00 174.94 173.78 3kqk s ASP 543 N -3.71 5.83 0.30 4.50 3.68 -1.26 -4.86 116.67 121.14 3kqk s ASP 543 Ca 0.58 -0.06 0.05 0.00 2.13 0.00 0.00 52.55 55.25 3kqk s ASP 543 Cb -0.12 -2.55 0.82 0.00 -1.45 0.00 0.00 42.92 39.62 3kqk s ASP 543 CO 0.49 -2.02 1.63 0.00 0.13 0.00 0.00 175.17 175.40 3kqk h ALA 544 N 11.98 1.43 -0.44 3.66 0.00 -1.98 0.29 119.26 134.19 3kqk h ALA 544 Ca -0.27 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kqk h ALA 544 Cb 1.10 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3kqk h ALA 544 CO 1.24 -0.53 0.27 1.25 0.00 0.00 0.00 179.25 181.48 3kqk h HIS 545 N 0.18 0.58 -0.32 0.00 6.17 -2.00 -1.55 115.15 118.21 3kqk h HIS 545 Ca 0.61 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.61 3kqk h HIS 545 Cb 1.30 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 31.02 3kqk h HIS 545 CO -0.24 0.41 -0.14 0.74 0.71 0.00 0.00 177.93 179.41 3kqk h PHE 546 N 0.59 0.61 -0.34 5.26 0.05 -0.87 -2.18 116.94 120.05 3kqk h PHE 546 Ca 0.16 -0.10 -0.08 0.00 3.82 0.00 0.00 57.97 61.76 3kqk h PHE 546 Cb -0.01 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.77 3kqk h PHE 546 CO -0.03 0.68 -0.13 1.25 -0.18 0.00 0.00 178.31 179.89 3kqk h LEU 547 N 0.51 0.59 0.14 1.54 6.46 -0.80 -1.31 115.31 122.45 3kqk h LEU 547 Ca 0.09 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3kqk h LEU 547 Cb 0.54 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 3kqk h LEU 547 CO 0.03 0.75 -0.07 -1.28 -0.62 0.00 0.00 178.44 177.26 3kqk h SER 548 N 0.55 -0.16 0.56 1.25 0.87 -0.78 -1.51 113.55 114.33 3kqk h SER 548 Ca 0.10 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3kqk h SER 548 Cb 0.55 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3kqk h SER 548 CO 0.03 0.03 -0.37 1.56 -0.53 0.00 0.00 176.83 177.56 3kqk h GLN 549 N -0.34 -0.86 -0.98 2.24 4.20 -1.19 -2.68 115.11 115.50 3kqk h GLN 549 Ca -0.02 0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.90 3kqk h GLN 549 Cb 0.27 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 28.15 3kqk h GLN 549 CO 0.03 -0.57 0.60 1.79 -0.67 0.00 0.00 178.83 180.01 3kqk h THR 550 N -0.89 0.80 -0.19 -0.54 1.35 -1.25 0.13 112.91 112.32 3kqk h THR 550 Ca -0.07 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3kqk h THR 550 Cb 0.73 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 3kqk h THR 550 CO 0.05 0.15 0.01 0.11 -0.25 0.00 0.00 175.52 175.60 3kqk h LYS 551 N 0.84 0.28 0.04 4.72 1.57 -1.10 -2.65 116.57 120.28 3kqk h LYS 551 Ca 0.53 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 59.00 3kqk h LYS 551 Cb 0.69 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.97 3kqk h LYS 551 CO -0.33 0.30 -1.10 1.96 -0.57 0.00 0.00 179.45 179.71 3kqk h GLN 552 N 0.27 0.59 0.00 3.15 4.20 -0.46 -3.11 115.11 119.76 3kqk h GLN 552 Ca 0.07 -0.70 0.00 0.00 0.06 0.00 0.00 58.65 58.08 3kqk h GLN 552 Cb 0.18 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3kqk h GLN 552 CO 0.00 1.29 0.29 0.00 -0.67 0.00 0.00 178.83 179.74 3kqk h ALA 553 N 0.45 1.29 -0.24 3.87 0.00 -0.90 -3.45 119.26 120.28 3kqk h ALA 553 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3kqk h ALA 553 Cb 1.76 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 3kqk h ALA 553 CO 0.21 -0.29 -0.09 0.41 0.00 0.00 0.00 179.25 179.48 3kqk n GLY 554 N -1.20 0.76 3.79 0.00 0.00 -1.18 -5.01 105.19 102.35 3kqk n GLY 554 Ca -0.02 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3kqk n GLY 554 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqk s ASP 555 N -2.67 6.56 0.25 1.61 1.01 -1.26 -4.97 116.67 117.21 3kqk s ASP 555 Ca 0.00 2.01 -0.03 0.00 0.71 0.00 0.00 52.55 55.24 3kqk s ASP 555 Cb 0.00 -2.58 0.45 0.00 1.01 0.00 0.00 42.92 41.80 3kqk s ASP 555 CO 0.00 -0.63 1.78 0.78 0.21 0.00 0.00 175.17 177.31 3kqk h ASN 556 N 2.12 0.56 -2.55 0.27 2.35 -1.95 -3.22 115.58 113.17 3kqk h ASN 556 Ca -0.49 0.07 -0.66 0.00 -0.55 0.00 0.00 56.30 54.67 3kqk h ASN 556 Cb 1.22 -0.03 -0.38 0.00 0.05 0.00 0.00 38.32 39.18 3kqk h ASN 556 CO 0.61 0.29 -0.23 0.49 -1.65 0.00 0.00 177.43 176.94 3kqk n PHE 557 N -4.83 3.38 -0.18 1.19 3.01 -1.26 -4.90 117.46 113.87 3kqk n PHE 557 Ca 0.15 -3.81 -0.05 0.00 1.01 0.00 0.00 57.45 54.74 3kqk n PHE 557 Cb 0.35 -0.78 0.05 0.00 -0.01 0.00 0.00 39.48 39.08 3kqk n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kqk h PRO 558 N 4.74 0.59 -0.44 -1.08 0.13 -1.87 -1.62 132.00 132.46 3kqk h PRO 558 Ca 0.19 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 3kqk h PRO 558 Cb 0.67 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3kqk h PRO 558 CO 0.94 0.39 0.15 -0.92 -0.23 0.00 0.00 178.00 178.34 3kqk h TYR 559 N 0.61 0.70 -0.61 1.56 3.20 -1.91 0.11 116.97 120.63 3kqk h TYR 559 Ca 0.22 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3kqk h TYR 559 Cb 0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3kqk h TYR 559 CO -0.07 0.62 0.01 -0.07 -1.64 0.00 0.00 178.16 177.01 3kqk h LEU 560 N 0.57 1.05 0.32 2.82 3.38 -1.91 -1.30 115.31 120.25 3kqk h LEU 560 Ca 0.14 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3kqk h LEU 560 Cb 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kqk h LEU 560 CO -0.01 1.09 -0.16 0.58 0.09 0.00 0.00 178.44 180.04 3kqk h VAL 561 N 0.97 0.68 -0.90 1.22 2.07 -1.09 -0.72 116.25 118.48 3kqk h VAL 561 Ca 0.17 -0.52 0.16 0.00 0.82 0.00 0.00 66.70 67.34 3kqk h VAL 561 Cb 0.55 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3kqk h VAL 561 CO 0.03 0.10 0.58 0.00 0.02 0.00 0.00 177.57 178.30 3kqk h ALA 562 N -0.19 1.91 0.19 1.67 0.00 -0.78 -1.17 119.26 120.90 3kqk h ALA 562 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kqk h ALA 562 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kqk h ALA 562 CO 0.07 -0.17 -0.09 -0.92 0.00 0.00 0.00 179.25 178.14 3kqk h TYR 563 N 0.62 -0.24 -0.94 0.00 3.20 -1.04 0.30 116.97 118.88 3kqk h TYR 563 Ca 0.46 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.54 3kqk h TYR 563 Cb 0.84 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 3kqk h TYR 563 CO -0.00 0.13 0.61 0.37 -1.64 0.00 0.00 178.16 177.63 3kqk h GLN 564 N -0.67 0.42 0.01 1.82 5.75 -0.48 0.12 115.11 122.09 3kqk h GLN 564 Ca -0.03 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3kqk h GLN 564 Cb 0.48 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.93 3kqk h GLN 564 CO 0.04 0.28 -0.01 0.00 -2.65 0.00 0.00 178.83 176.49 3kqk h ALA 565 N 1.61 -0.02 -0.88 3.38 0.00 -1.02 -2.26 119.26 120.08 3kqk h ALA 565 Ca 0.50 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 55.34 3kqk h ALA 565 Cb 1.21 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 3kqk h ALA 565 CO -0.21 -0.22 0.36 1.15 0.00 0.00 0.00 179.25 180.33 3kqk h THR 566 N -0.59 0.46 -0.47 0.00 2.02 0.21 0.54 112.91 115.07 3kqk h THR 566 Ca -0.00 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 3kqk h THR 566 Cb 0.57 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3kqk h THR 566 CO 0.00 0.07 0.04 0.58 0.37 0.00 0.00 175.52 176.58 3kqk h VAL 567 N 0.37 1.26 0.58 3.16 2.07 -0.98 -2.29 116.25 120.42 3kqk h VAL 567 Ca 0.55 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3kqk h VAL 567 Cb 1.04 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3kqk h VAL 567 CO -0.54 0.35 -0.28 0.00 0.02 0.00 0.00 177.57 177.12 3kqk h ALA 569 N -0.78 -0.26 -0.27 0.00 0.00 -0.16 0.36 119.26 118.15 3kqk h ALA 569 Ca -0.08 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kqk h ALA 569 Cb 0.66 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3kqk h ALA 569 CO 0.13 -0.79 -0.15 0.00 0.00 0.00 0.00 179.25 178.45 3kqk h ARG 570 N -0.23 -0.11 0.00 0.00 -0.00 -1.41 0.97 114.38 113.60 3kqk h ARG 570 Ca 0.19 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.67 3kqk h ARG 570 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.56 3kqk h ARG 570 CO -0.66 -0.07 0.00 0.00 0.00 0.00 0.00 179.97 179.24 3kqk n ALA 571 N -2.67 2.24 -1.99 0.04 0.00 -0.18 -4.83 120.51 113.11 3kqk n ALA 571 Ca -0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3kqk n ALA 571 Cb 0.23 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 3kqk n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqk n GLN 572 N -1.03 -1.59 -4.11 0.00 6.02 0.11 -4.97 117.38 111.81 3kqk n GLN 572 Ca 0.15 1.08 -0.23 0.00 -0.01 0.00 0.00 57.00 57.98 3kqk n GLN 572 Cb 0.08 -5.59 -0.05 0.00 1.02 0.00 0.00 30.24 25.70 3kqk n GLN 572 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqk s ALA 573 N -2.85 3.57 0.57 -1.58 0.00 -0.61 -2.02 121.76 118.84 3kqk s ALA 573 Ca 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 50.51 3kqk s ALA 573 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3kqk s ALA 573 CO 0.00 0.31 0.91 -1.25 0.00 0.00 0.00 175.76 175.73 3kqk s PRO 574 N -3.66 3.23 1.10 0.00 0.04 -1.26 -4.20 135.00 130.25 3kqk s PRO 574 Ca 0.32 0.24 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 3kqk s PRO 574 Cb -0.08 -2.25 0.24 0.00 0.04 0.00 0.00 34.50 32.45 3kqk s PRO 574 CO 0.24 -0.55 1.11 -1.25 0.04 0.00 0.00 177.00 176.59 3kqk s PRO 575 N -4.98 -0.41 0.50 0.56 0.04 -1.26 -4.46 135.00 124.99 3kqk s PRO 575 Ca 0.52 0.19 0.17 0.00 0.04 0.00 0.00 61.00 61.92 3kqk s PRO 575 Cb -0.11 -1.67 1.23 0.00 0.04 0.00 0.00 34.50 33.99 3kqk s PRO 575 CO 0.47 -3.22 2.10 -1.35 0.04 0.00 0.00 177.00 175.04 3kqk h PRO 576 N -2.24 0.09 -2.82 0.56 0.11 -1.96 -3.43 132.00 122.31 3kqk h PRO 576 Ca -0.50 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.68 3kqk h PRO 576 Cb 1.31 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 3kqk h PRO 576 CO 0.46 0.06 0.29 -1.54 -0.21 0.00 0.00 178.00 177.07 3kqk s SER 577 N -6.80 -0.30 -0.59 -2.05 1.04 -1.26 0.48 113.70 104.21 3kqk s SER 577 Ca -0.06 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3kqk s SER 577 Cb 0.18 0.64 0.52 0.00 0.10 0.00 0.00 66.02 67.45 3kqk s SER 577 CO 0.69 -1.15 1.98 0.79 0.98 0.00 0.00 173.24 176.53 3kqk n TRP 578 N -0.44 3.15 -1.01 5.02 7.02 -1.26 -4.79 117.44 125.13 3kqk n TRP 578 Ca -0.07 -2.65 -0.29 0.00 -1.02 0.00 0.00 57.50 53.47 3kqk n TRP 578 Cb 0.61 -1.27 0.22 0.00 -2.42 0.00 0.00 31.31 28.44 3kqk n TRP 578 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3kqk s ASP 579 N -1.73 1.53 0.55 -0.99 3.68 -1.26 -4.88 116.67 113.58 3kqk s ASP 579 Ca 0.62 1.00 0.37 0.00 2.13 0.00 0.00 52.55 56.67 3kqk s ASP 579 Cb 0.50 -1.52 1.93 0.00 -1.45 0.00 0.00 42.92 42.38 3kqk s ASP 579 CO 0.03 -3.79 2.13 0.06 0.13 0.00 0.00 175.17 173.73 3kqk h GLN 580 N -2.35 0.00 -0.21 4.34 3.07 -2.02 -2.07 115.11 115.87 3kqk h GLN 580 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.22 3kqk h GLN 580 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 3kqk h GLN 580 CO 0.47 0.00 0.00 0.00 0.09 0.00 0.00 178.83 179.39 3kqk n MET 581 N -2.86 0.97 0.00 0.06 0.00 -1.26 -2.55 117.12 111.48 3kqk n MET 581 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 3kqk n MET 581 Cb 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 33.22 32.22 3kqk n MET 581 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3kqk n TRP 582 N -0.39 0.00 0.27 3.17 7.02 -0.78 -4.83 117.44 121.90 3kqk n TRP 582 Ca 0.00 -0.12 0.08 0.00 -1.02 0.00 0.00 57.50 56.44 3kqk n TRP 582 Cb 0.05 -0.01 0.41 0.00 -2.42 0.00 0.00 31.31 29.35 3kqk n TRP 582 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3kqk h LYS 583 N 0.00 0.00 0.00 -0.99 2.10 -1.58 0.10 116.57 116.20 3kqk h LYS 583 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqk h LYS 583 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 3kqk h LYS 583 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 3kqk n LEU 585 N -1.30 1.56 -0.12 0.00 4.77 0.02 -4.58 117.00 117.35 3kqk n LEU 585 Ca 0.12 -0.94 0.09 0.00 -0.03 0.00 0.00 56.01 55.25 3kqk n LEU 585 Cb 0.20 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.73 3kqk n LEU 585 CO 0.19 0.31 1.20 0.16 -1.33 0.00 0.00 177.39 177.92 3kqk h ILE 586 N 1.50 0.96 -0.94 -0.08 3.07 -1.70 -1.13 117.51 119.19 3kqk h ILE 586 Ca 0.00 -0.19 0.24 0.00 1.55 0.00 0.00 64.86 66.46 3kqk h ILE 586 Cb 0.34 0.34 -0.06 0.00 -0.27 0.00 0.00 36.82 37.17 3kqk h ILE 586 CO 0.00 0.10 0.64 -0.09 -1.05 0.00 0.00 178.15 177.75 3kqk h ARG 587 N 0.57 0.25 -0.06 0.16 9.65 -1.83 0.19 114.38 123.30 3kqk h ARG 587 Ca 0.29 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 3kqk h ARG 587 Cb 0.39 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3kqk h ARG 587 CO -0.09 0.16 0.00 1.28 2.80 0.00 0.00 179.97 184.13 3kqk n LEU 588 N -4.44 2.40 -0.34 3.80 4.77 -0.49 -4.70 117.00 118.00 3kqk n LEU 588 Ca 0.21 -1.09 0.17 0.00 -0.03 0.00 0.00 56.01 55.27 3kqk n LEU 588 Cb 0.85 -0.03 0.34 0.00 -2.33 0.00 0.00 43.42 42.24 3kqk n LEU 588 CO 0.33 0.45 0.83 1.17 -1.33 0.00 0.00 177.39 178.84 3kqk n LYS 589 N 0.89 -0.08 -0.09 3.23 4.81 0.66 -1.06 118.16 126.52 3kqk n LYS 589 Ca 0.10 1.48 -0.06 0.00 -0.87 0.00 0.00 58.31 58.96 3kqk n LYS 589 Cb 0.40 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.06 3kqk n LYS 589 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3kqk h PRO 590 N 0.00 -0.05 0.01 1.64 0.11 -1.84 -3.02 132.00 128.85 3kqk h PRO 590 Ca 0.64 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.50 3kqk h PRO 590 Cb 1.39 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.53 3kqk h PRO 590 CO -0.92 -0.03 -1.03 0.00 -0.21 0.00 0.00 178.00 175.81 3kqk h THR 591 N -0.05 1.33 -1.88 -1.15 1.03 -1.46 -3.44 112.91 107.28 3kqk h THR 591 Ca 0.16 -2.35 -0.60 0.00 -0.01 0.00 0.00 66.41 63.61 3kqk h THR 591 Cb 0.30 2.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 3kqk h THR 591 CO -0.37 0.72 1.44 0.18 -0.01 0.00 0.00 175.52 177.48 3kqk n LEU 592 N -3.80 3.18 -4.04 0.00 4.77 -0.56 -4.92 117.00 111.64 3kqk n LEU 592 Ca -0.10 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3kqk n LEU 592 Cb 0.88 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.38 3kqk n LEU 592 CO 0.54 -0.58 -0.18 -1.00 -1.33 0.00 0.00 177.39 174.84 3kqk s HIS 593 N 7.63 0.56 0.00 -1.77 3.76 -0.86 -4.51 115.29 120.10 3kqk s HIS 593 Ca 1.01 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 3kqk s HIS 593 Cb -0.44 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 32.98 3kqk s HIS 593 CO 0.39 -0.57 0.00 0.41 -0.85 0.00 0.00 174.74 174.11 3kqk n GLY 594 N -0.10 -3.19 3.62 -2.22 0.00 -1.26 -4.24 105.19 97.80 3kqk n GLY 594 Ca -0.09 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 3kqk n GLY 594 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kqk s PRO 595 N -0.71 0.48 -0.16 1.61 0.02 -1.26 -4.32 135.00 130.67 3kqk s PRO 595 Ca 0.00 1.35 -0.06 0.00 0.02 0.00 0.00 61.00 62.31 3kqk s PRO 595 Cb 0.00 -1.68 -0.04 0.00 0.02 0.00 0.00 34.50 32.80 3kqk s PRO 595 CO 0.00 -2.93 0.04 0.99 -0.33 0.00 0.00 177.00 174.77 3kqk s THR 596 N -2.60 4.57 -1.20 0.99 2.01 0.23 -4.43 115.64 115.21 3kqk s THR 596 Ca 0.67 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 3kqk s THR 596 Cb -0.23 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.28 3kqk s THR 596 CO 0.60 0.50 1.73 -2.84 -0.69 0.00 0.00 174.62 173.92 3kqk s PRO 597 N 0.07 3.52 -0.24 4.92 0.02 -1.26 -0.12 135.00 141.91 3kqk s PRO 597 Ca 0.04 -1.55 -0.29 0.00 0.02 0.00 0.00 61.00 59.22 3kqk s PRO 597 Cb -0.12 -5.41 -0.02 0.00 0.02 0.00 0.00 34.50 28.96 3kqk s PRO 597 CO 0.01 -2.66 1.64 -1.17 -0.33 0.00 0.00 177.00 174.49 3kqk s LEU 598 N 6.10 3.83 0.04 -5.54 2.96 -0.99 -4.84 118.68 120.23 3kqk s LEU 598 Ca 0.56 1.55 0.14 0.00 -0.22 0.00 0.00 54.13 56.17 3kqk s LEU 598 Cb 0.02 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.01 3kqk s LEU 598 CO 0.05 -1.33 0.82 -0.07 -1.32 0.00 0.00 176.35 174.50 3kqk h LEU 599 N 12.01 0.00 -7.23 -0.68 3.38 -1.92 -3.45 115.31 117.42 3kqk h LEU 599 Ca -0.34 0.00 0.32 0.00 0.09 0.00 0.00 57.88 57.96 3kqk h LEU 599 Cb 1.15 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.79 3kqk h LEU 599 CO 1.01 0.77 0.82 -0.72 0.09 0.00 0.00 178.44 180.41 3kqk s TYR 600 N -2.78 -0.04 -0.37 1.13 -0.85 -1.26 -4.61 117.35 108.56 3kqk s TYR 600 Ca -0.03 -0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.38 3kqk s TYR 600 Cb 0.08 0.55 0.05 0.00 0.38 0.00 0.00 41.96 43.02 3kqk s TYR 600 CO 0.81 -0.28 0.17 1.03 -1.52 0.00 0.00 175.55 175.76 3kqk s ARG 601 N -2.44 2.65 -0.58 -3.49 0.52 -0.59 -4.94 118.95 110.08 3kqk s ARG 601 Ca 0.14 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 3kqk s ARG 601 Cb 0.05 -3.61 0.46 0.00 0.52 0.00 0.00 34.95 32.37 3kqk s ARG 601 CO -0.04 -0.76 1.86 1.28 0.02 0.00 0.00 175.30 177.67 3kqk n LEU 602 N 4.88 7.08 0.00 2.53 4.77 -1.26 -1.09 117.00 133.91 3kqk n LEU 602 Ca -0.11 -4.34 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 3kqk n LEU 602 Cb 0.44 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3kqk n LEU 602 CO 0.35 1.57 0.00 0.61 -1.33 0.00 0.00 177.39 178.58 3kqk n GLY 603 N -0.90 0.43 3.66 -0.72 0.00 -1.25 -4.95 105.19 101.46 3kqk n GLY 603 Ca 0.59 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3kqk n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk s ALA 604 N -1.00 3.44 -0.20 4.61 0.00 -1.26 -4.99 121.76 122.35 3kqk s ALA 604 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 3kqk s ALA 604 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3kqk s ALA 604 CO 0.00 0.27 -0.03 0.54 0.00 0.00 0.00 175.76 176.54 3kqk s VAL 605 N 0.08 3.58 -0.13 0.00 0.11 -1.26 -4.46 120.40 118.31 3kqk s VAL 605 Ca 0.05 -0.44 -0.11 0.00 -2.93 0.00 0.00 61.98 58.55 3kqk s VAL 605 Cb -0.12 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 3kqk s VAL 605 CO 0.01 0.43 -0.22 0.00 -3.33 0.00 0.00 175.10 171.99 3kqk n GLN 606 N 4.44 0.41 -0.76 1.54 1.13 0.18 -4.99 117.38 119.34 3kqk n GLN 606 Ca -0.18 0.33 -0.34 0.00 -1.94 0.00 0.00 57.00 54.87 3kqk n GLN 606 Cb 0.51 -1.41 0.14 0.00 0.11 0.00 0.00 30.24 29.59 3kqk n GLN 606 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3kqk n ASN 607 N -4.17 -2.55 -4.73 1.08 4.05 -0.80 -4.91 115.26 103.22 3kqk n ASN 607 Ca -0.09 -0.09 -0.41 0.00 0.45 0.00 0.00 54.58 54.44 3kqk n ASN 607 Cb 0.32 -0.83 -0.03 0.00 1.23 0.00 0.00 39.78 40.46 3kqk n ASN 607 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3kqk s GLU 608 N -3.06 4.50 -0.12 1.20 2.02 -1.26 -4.89 118.70 117.09 3kqk s GLU 608 Ca 0.51 1.79 -0.06 0.00 0.02 0.00 0.00 54.97 57.23 3kqk s GLU 608 Cb -0.06 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3kqk s GLU 608 CO 0.66 -0.09 0.09 0.08 0.02 0.00 0.00 175.26 176.02 3kqk s VAL 609 N 0.25 5.09 0.01 2.63 1.01 -1.26 0.76 120.40 128.88 3kqk s VAL 609 Ca 0.54 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.64 3kqk s VAL 609 Cb -0.31 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3kqk s VAL 609 CO 0.34 0.59 -0.23 0.28 0.00 0.00 0.00 175.10 176.08 3kqk s THR 610 N -0.77 1.81 -0.22 3.92 -1.32 0.83 -4.82 115.64 115.07 3kqk s THR 610 Ca 0.13 -1.09 0.12 0.00 -1.21 0.00 0.00 61.69 59.64 3kqk s THR 610 Cb -0.12 -1.53 0.45 0.00 -1.51 0.00 0.00 72.50 69.79 3kqk s THR 610 CO 0.03 0.40 1.19 0.35 -2.21 0.00 0.00 174.62 174.38 3kqk n THR 611 N 2.22 2.01 0.39 5.08 -2.24 -1.26 -2.34 114.28 118.15 3kqk n THR 611 Ca -0.16 -3.36 0.11 0.00 -2.27 0.00 0.00 64.05 58.37 3kqk n THR 611 Cb 0.52 -0.31 0.18 0.00 -2.10 0.00 0.00 70.33 68.62 3kqk n THR 611 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kqk n THR 612 N -0.74 0.41 -2.61 4.28 -2.24 -1.26 -4.62 114.28 107.50 3kqk n THR 612 Ca 0.26 -0.71 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 3kqk n THR 612 Cb 0.86 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 70.10 3kqk n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kqk s HIS 613 N -1.48 3.51 0.18 4.78 5.04 -1.26 -4.89 115.29 121.16 3kqk s HIS 613 Ca 0.34 1.72 -0.17 0.00 -1.54 0.00 0.00 55.06 55.41 3kqk s HIS 613 Cb 0.20 -3.09 0.12 0.00 0.04 0.00 0.00 32.58 29.86 3kqk s HIS 613 CO 0.29 -0.28 1.65 -1.35 -2.34 0.00 0.00 174.74 172.71 3kqk h PRO 614 N 3.09 -0.02 -0.15 2.88 0.11 -1.99 0.43 132.00 136.34 3kqk h PRO 614 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3kqk h PRO 614 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kqk h PRO 614 CO 0.64 -0.02 -0.01 0.82 -0.21 0.00 0.00 178.00 179.23 3kqk h ILE 615 N -0.03 1.11 -0.08 4.15 5.03 -1.96 0.71 117.51 126.44 3kqk h ILE 615 Ca 0.21 -0.42 -0.02 0.00 -0.12 0.00 0.00 64.86 64.52 3kqk h ILE 615 Cb 0.35 1.00 -0.00 0.00 -3.03 0.00 0.00 36.82 35.14 3kqk h ILE 615 CO -0.47 0.14 -0.01 0.74 -0.68 0.00 0.00 178.15 177.87 3kqk h THR 616 N 0.22 1.27 -0.05 -0.27 2.02 -1.46 -1.49 112.91 113.15 3kqk h THR 616 Ca 0.05 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3kqk h THR 616 Cb 0.17 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3kqk h THR 616 CO 0.00 0.24 -0.02 0.11 0.37 0.00 0.00 175.52 176.23 3kqk h LYS 617 N -0.15 0.07 0.64 6.66 6.56 -0.06 -1.58 116.57 128.70 3kqk h LYS 617 Ca 0.02 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.57 3kqk h LYS 617 Cb 0.38 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.03 3kqk h LYS 617 CO 0.01 0.09 -0.31 -0.92 -2.06 0.00 0.00 179.45 176.26 3kqk h TYR 618 N 0.07 -0.80 -0.96 -1.35 3.20 -0.59 -1.61 116.97 114.93 3kqk h TYR 618 Ca 0.02 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3kqk h TYR 618 Cb 0.08 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 3kqk h TYR 618 CO 0.00 -0.47 0.61 0.82 -1.64 0.00 0.00 178.16 177.49 3kqk h ILE 619 N -1.17 0.94 0.08 1.81 2.04 -1.11 -0.76 117.51 119.34 3kqk h ILE 619 Ca -0.09 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3kqk h ILE 619 Cb 0.69 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3kqk h ILE 619 CO 0.14 0.18 -0.15 0.24 0.00 0.00 0.00 178.15 178.56 3kqk h MET 620 N 0.96 -0.28 -0.83 2.37 2.86 -1.23 -1.28 114.93 117.49 3kqk h MET 620 Ca 0.46 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.23 3kqk h MET 620 Cb 0.45 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 3kqk h MET 620 CO -0.22 -0.19 0.54 0.00 1.06 0.00 0.00 176.91 178.10 3kqk h ALA 621 N 0.58 1.75 -0.05 6.32 0.00 -0.22 0.70 119.26 128.35 3kqk h ALA 621 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kqk h ALA 621 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kqk h ALA 621 CO -0.09 0.06 0.04 0.00 0.00 0.00 0.00 179.25 179.26 3kqk h MET 623 N 0.00 0.02 0.00 0.00 2.86 -0.55 -3.49 114.93 113.77 3kqk h MET 623 Ca 0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kqk h MET 623 Cb 0.10 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3kqk h MET 623 CO -0.00 0.83 0.00 0.43 1.06 0.00 0.00 176.91 179.22