#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rr8 s ALA 202 N 0.00 3.22 -0.16 0.00 0.00 -1.26 -5.02 121.76 118.53 1rr8 s ALA 202 Ca 0.00 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 1rr8 s ALA 202 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1rr8 s ALA 202 CO 0.00 -0.20 0.77 -0.46 0.00 0.00 0.00 175.76 175.87 1rr8 s TRP 203 N -1.44 3.43 -1.16 0.00 -0.00 -1.26 -5.00 118.94 113.51 1rr8 s TRP 203 Ca 0.52 1.18 -0.11 0.00 -0.00 0.00 0.00 56.10 57.69 1rr8 s TRP 203 Cb -0.26 -2.94 0.24 0.00 -0.00 0.00 0.00 33.47 30.50 1rr8 s TRP 203 CO 0.33 -0.19 1.25 0.15 -0.00 0.00 0.00 176.95 178.49 1rr8 s LYS 204 N 1.94 4.17 0.31 5.86 1.02 -1.26 -4.85 119.74 126.93 1rr8 s LYS 204 Ca 0.36 -2.98 0.24 0.00 0.02 0.00 0.00 55.97 53.61 1rr8 s LYS 204 Cb -0.17 -4.76 1.11 0.00 -0.52 0.00 0.00 37.83 33.50 1rr8 s LYS 204 CO 0.13 -1.45 1.72 0.11 -0.92 0.00 0.00 175.35 174.94 1rr8 h TRP 205 N 6.84 0.00 0.00 3.18 5.08 -1.98 -2.84 115.95 126.23 1rr8 h TRP 205 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1rr8 h TRP 205 Cb 0.87 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.03 1rr8 h TRP 205 CO 0.89 0.00 0.00 0.11 -1.28 0.00 0.00 178.44 178.16 1rr8 h TRP 206 N 0.00 0.00 0.00 0.12 0.09 -1.98 -3.15 115.95 111.03 1rr8 h TRP 206 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1rr8 h TRP 206 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.46 1rr8 h TRP 206 CO 0.00 0.00 -0.48 0.39 0.09 0.00 0.00 178.44 178.44 1rr8 n GLU 207 N -2.73 0.05 -1.80 0.12 1.02 -1.07 -4.91 120.64 111.32 1rr8 n GLU 207 Ca 0.04 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 1rr8 n GLU 207 Cb 0.45 -1.53 0.06 0.00 -0.02 0.00 0.00 31.44 30.40 1rr8 n GLU 207 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1rr8 s GLU 208 N -3.03 2.60 -0.11 3.49 0.41 -1.19 -5.00 118.70 115.87 1rr8 s GLU 208 Ca 0.10 0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 54.85 1rr8 s GLU 208 Cb 0.17 -1.99 -0.03 0.00 -1.78 0.00 0.00 34.13 30.50 1rr8 s GLU 208 CO 0.69 -1.23 1.29 -2.00 -0.49 0.00 0.00 175.26 173.53 1rr8 s GLU 209 N -5.32 4.27 -0.02 1.61 2.12 -1.26 -4.92 118.70 115.17 1rr8 s GLU 209 Ca 0.59 1.74 -0.39 0.00 0.36 0.00 0.00 54.97 57.27 1rr8 s GLU 209 Cb -0.12 -3.70 -0.19 0.00 0.26 0.00 0.00 34.13 30.38 1rr8 s GLU 209 CO 0.52 -0.63 1.22 0.54 -0.54 0.00 0.00 175.26 176.37 1rr8 n ARG 210 N 6.12 0.40 -1.72 4.30 5.12 -1.26 -4.88 116.66 124.74 1rr8 n ARG 210 Ca 0.13 0.14 -0.42 0.00 -1.93 0.00 0.00 57.85 55.78 1rr8 n ARG 210 Cb 0.45 -1.70 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 1rr8 n ARG 210 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1rr8 s TYR 211 N 0.50 2.14 0.56 -1.55 6.14 -1.26 -4.97 117.35 118.91 1rr8 s TYR 211 Ca 0.90 -0.02 -0.21 0.00 0.64 0.00 0.00 57.07 58.38 1rr8 s TYR 211 Cb -1.18 -4.17 -0.04 0.00 0.42 0.00 0.00 41.96 36.98 1rr8 s TYR 211 CO 0.56 -4.84 1.35 -2.14 0.64 0.00 0.00 175.55 171.11 1rr8 s PRO 212 N 2.76 3.08 0.43 4.97 0.02 -1.26 -5.01 135.00 139.99 1rr8 s PRO 212 Ca 0.81 2.20 -0.23 0.00 0.02 0.00 0.00 61.00 63.80 1rr8 s PRO 212 Cb -0.46 -2.21 -0.08 0.00 0.02 0.00 0.00 34.50 31.77 1rr8 s PRO 212 CO 0.36 -1.23 1.08 -2.00 -0.33 0.00 0.00 177.00 174.88 1rr8 s GLU 213 N -2.96 4.00 0.00 5.54 -6.30 -1.26 -4.35 118.70 113.36 1rr8 s GLU 213 Ca 0.73 1.55 0.00 0.00 -2.50 0.00 0.00 54.97 54.75 1rr8 s GLU 213 Cb -0.40 -2.43 0.00 0.00 0.00 0.00 0.00 34.13 31.30 1rr8 s GLU 213 CO 0.46 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1rr8 n GLY 214 N 0.27 2.00 3.70 -1.50 0.00 -1.26 -5.01 105.19 103.40 1rr8 n GLY 214 Ca 0.06 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1rr8 n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rr8 s ILE 215 N 0.00 4.87 -0.11 -0.61 1.01 -1.26 -4.63 121.20 120.47 1rr8 s ILE 215 Ca 0.00 1.98 0.16 0.00 0.00 0.00 0.00 60.65 62.79 1rr8 s ILE 215 Cb 0.00 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 38.06 1rr8 s ILE 215 CO 0.00 0.13 0.88 0.11 0.00 0.00 0.00 174.94 176.07 1rr8 h LYS 216 N 6.88 0.00 -2.98 2.79 1.79 -1.09 -3.45 116.57 120.50 1rr8 h LYS 216 Ca -0.39 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.11 1rr8 h LYS 216 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.76 1rr8 h LYS 216 CO 0.78 0.34 0.23 1.67 -1.08 0.00 0.00 179.45 181.38 1rr8 s TRP 217 N -2.90 -0.37 -0.06 -1.35 1.48 -1.25 -5.05 118.94 109.44 1rr8 s TRP 217 Ca -0.02 0.04 0.06 0.00 -1.06 0.00 0.00 56.10 55.12 1rr8 s TRP 217 Cb 0.09 0.63 -0.09 0.00 -1.16 0.00 0.00 33.47 32.94 1rr8 s TRP 217 CO 0.81 -1.03 0.04 1.63 -4.06 0.00 0.00 176.95 174.33 1rr8 n LYS 218 N -0.42 2.63 -3.89 3.25 5.02 -1.26 -4.89 118.16 118.60 1rr8 n LYS 218 Ca -0.11 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 1rr8 n LYS 218 Cb 0.62 -1.18 -0.13 0.00 -0.02 0.00 0.00 35.03 34.32 1rr8 n LYS 218 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1rr8 s PHE 219 N -2.20 0.05 -0.25 2.13 5.36 -1.26 -4.95 117.98 116.86 1rr8 s PHE 219 Ca -0.03 -0.10 -0.10 0.00 -0.96 0.00 0.00 56.93 55.74 1rr8 s PHE 219 Cb 0.02 -0.03 0.10 0.00 -0.34 0.00 0.00 43.02 42.77 1rr8 s PHE 219 CO 0.28 -0.04 0.56 -1.17 -1.46 0.00 0.00 175.22 173.40 1rr8 s LEU 220 N -0.27 -0.83 -0.10 6.12 2.96 -1.26 -2.10 118.68 123.20 1rr8 s LEU 220 Ca -0.03 1.32 -0.05 0.00 -0.22 0.00 0.00 54.13 55.14 1rr8 s LEU 220 Cb -0.02 1.94 0.04 0.00 0.50 0.00 0.00 46.19 48.65 1rr8 s LEU 220 CO -0.00 -0.22 0.24 -0.70 -1.32 0.00 0.00 176.35 174.34 1rr8 s GLU 221 N 2.37 0.21 0.17 1.98 2.12 -0.27 -1.78 118.70 123.49 1rr8 s GLU 221 Ca -0.06 0.48 -0.13 0.00 0.36 0.00 0.00 54.97 55.63 1rr8 s GLU 221 Cb -0.10 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.21 1rr8 s GLU 221 CO -0.17 -0.14 0.37 -3.38 -0.54 0.00 0.00 175.26 171.40 1rr8 s HIS 222 N 1.06 0.14 -1.24 5.30 -3.43 -1.26 -0.76 115.29 115.10 1rr8 s HIS 222 Ca -0.08 -0.50 0.08 0.00 -0.80 0.00 0.00 55.06 53.76 1rr8 s HIS 222 Cb -0.09 0.13 0.34 0.00 -1.43 0.00 0.00 32.58 31.53 1rr8 s HIS 222 CO -0.07 -0.77 1.14 1.63 -2.00 0.00 0.00 174.74 174.67 1rr8 n LYS 223 N -0.25 2.34 -0.12 -0.38 4.76 -1.26 -4.26 118.16 118.99 1rr8 n LYS 223 Ca -0.10 -1.33 0.02 0.00 -2.87 0.00 0.00 58.31 54.03 1rr8 n LYS 223 Cb 0.63 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1rr8 n LYS 223 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rr8 n GLY 224 N 0.61 -2.02 3.88 0.72 0.00 -1.26 -4.77 105.19 102.35 1rr8 n GLY 224 Ca 0.12 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1rr8 n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rr8 s PRO 225 N -0.54 3.70 -0.28 1.61 0.04 -1.26 -4.95 135.00 133.32 1rr8 s PRO 225 Ca 0.00 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.35 1rr8 s PRO 225 Cb 0.00 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1rr8 s PRO 225 CO 0.00 -0.13 0.24 0.08 0.04 0.00 0.00 177.00 177.23 1rr8 s VAL 226 N -2.54 5.27 0.53 -0.36 1.01 -0.68 -5.01 120.40 118.62 1rr8 s VAL 226 Ca 0.51 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 1rr8 s VAL 226 Cb -0.10 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1rr8 s VAL 226 CO 0.37 0.21 1.04 -0.36 0.00 0.00 0.00 175.10 176.36 1rr8 s PHE 227 N 1.84 3.02 0.31 5.22 0.08 -1.26 -1.18 117.98 126.01 1rr8 s PHE 227 Ca 0.09 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.39 1rr8 s PHE 227 Cb -0.16 -3.03 -0.12 0.00 -0.57 0.00 0.00 43.02 39.14 1rr8 s PHE 227 CO 0.11 -0.92 1.38 0.00 -0.10 0.00 0.00 175.22 175.69 1rr8 n ALA 228 N -1.42 1.51 -1.65 5.36 0.00 -1.25 -4.83 120.51 118.23 1rr8 n ALA 228 Ca 0.09 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.46 1rr8 n ALA 228 Cb 0.53 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 1rr8 n ALA 228 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rr8 n PRO 229 N 1.13 1.80 -1.80 0.00 -0.04 -1.26 -4.93 135.00 129.91 1rr8 n PRO 229 Ca 0.07 0.64 -0.35 0.00 -0.04 0.00 0.00 63.50 63.81 1rr8 n PRO 229 Cb 0.35 -2.18 0.06 0.00 -0.04 0.00 0.00 33.50 31.69 1rr8 n PRO 229 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1rr8 s PRO 230 N -1.18 2.67 0.03 0.54 0.04 -1.26 -4.95 135.00 130.89 1rr8 s PRO 230 Ca 0.62 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1rr8 s PRO 230 Cb -0.66 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 1rr8 s PRO 230 CO 0.57 -1.43 1.87 -0.47 0.04 0.00 0.00 177.00 177.58 1rr8 s TYR 231 N -1.74 1.56 -0.31 0.56 5.04 -1.26 -4.98 117.35 116.21 1rr8 s TYR 231 Ca 0.76 -0.25 -0.20 0.00 -2.44 0.00 0.00 57.07 54.94 1rr8 s TYR 231 Cb -0.30 -4.16 -0.01 0.00 0.35 0.00 0.00 41.96 37.85 1rr8 s TYR 231 CO 0.38 -5.07 0.63 -2.00 -1.34 0.00 0.00 175.55 168.15 1rr8 s GLU 232 N 4.14 3.86 0.86 4.97 2.56 -1.26 -5.05 118.70 128.78 1rr8 s GLU 232 Ca 0.84 0.26 -0.11 0.00 0.00 0.00 0.00 54.97 55.96 1rr8 s GLU 232 Cb -0.41 -3.74 0.11 0.00 2.00 0.00 0.00 34.13 32.09 1rr8 s GLU 232 CO 0.38 -0.60 1.14 -2.14 -0.56 0.00 0.00 175.26 173.49 1rr8 s PRO 233 N 2.62 1.46 0.19 4.30 0.02 -1.26 -4.99 135.00 137.33 1rr8 s PRO 233 Ca 0.25 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 1rr8 s PRO 233 Cb -0.15 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1rr8 s PRO 233 CO 0.12 -2.30 1.09 -0.51 -0.33 0.00 0.00 177.00 175.07 1rr8 s LEU 234 N -6.25 4.50 1.12 -5.54 1.43 -1.26 -5.05 118.68 107.63 1rr8 s LEU 234 Ca 0.66 2.08 -0.17 0.00 -1.03 0.00 0.00 54.13 55.68 1rr8 s LEU 234 Cb -0.22 -3.61 0.25 0.00 0.03 0.00 0.00 46.19 42.64 1rr8 s LEU 234 CO 0.56 -0.19 1.13 -2.16 0.23 0.00 0.00 176.35 175.92 1rr8 s PRO 235 N -0.48 -0.59 0.17 1.29 0.04 -1.26 -4.97 135.00 129.20 1rr8 s PRO 235 Ca 0.48 0.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.39 1rr8 s PRO 235 Cb -0.29 -1.66 0.06 0.00 0.04 0.00 0.00 34.50 32.65 1rr8 s PRO 235 CO 0.35 -3.31 1.82 1.49 0.04 0.00 0.00 177.00 177.39 1rr8 h GLU 236 N -2.29 0.72 0.00 4.56 4.22 -2.05 -3.08 114.58 116.65 1rr8 h GLU 236 Ca -0.47 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 58.91 1rr8 h GLU 236 Cb 1.30 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1rr8 h GLU 236 CO 0.40 0.50 -0.01 -2.95 -2.18 0.00 0.00 179.01 174.78 1rr8 h ASN 237 N 0.72 0.00 -2.92 1.04 -1.07 -2.05 -3.38 115.58 107.92 1rr8 h ASN 237 Ca 0.19 0.00 -0.72 0.00 0.07 0.00 0.00 56.30 55.84 1rr8 h ASN 237 Cb -0.04 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 36.01 1rr8 h ASN 237 CO -0.04 0.01 0.49 -0.69 0.07 0.00 0.00 177.43 177.27 1rr8 s VAL 238 N -3.89 5.00 0.14 6.14 1.01 -1.16 -5.02 120.40 122.61 1rr8 s VAL 238 Ca -0.02 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.24 1rr8 s VAL 238 Cb 0.11 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1rr8 s VAL 238 CO 0.49 -1.30 0.32 -0.54 0.00 0.00 0.00 175.10 174.07 1rr8 s LYS 239 N 1.97 3.51 -0.02 2.72 1.02 -1.26 -4.73 119.74 122.94 1rr8 s LYS 239 Ca 0.24 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1rr8 s LYS 239 Cb -0.10 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 1rr8 s LYS 239 CO -0.06 0.50 0.02 0.12 -0.92 0.00 0.00 175.35 175.01 1rr8 s PHE 240 N -1.69 3.16 0.04 3.18 5.36 -1.26 -4.41 117.98 122.35 1rr8 s PHE 240 Ca 0.37 0.15 0.08 0.00 -0.96 0.00 0.00 56.93 56.58 1rr8 s PHE 240 Cb -0.12 -1.72 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1rr8 s PHE 240 CO 0.28 0.49 -0.24 0.71 -1.46 0.00 0.00 175.22 175.00 1rr8 s TYR 241 N -1.07 2.13 -0.05 10.12 1.51 -1.16 -1.89 117.35 126.95 1rr8 s TYR 241 Ca 0.19 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1rr8 s TYR 241 Cb -0.12 -1.29 0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1rr8 s TYR 241 CO 0.09 0.10 0.04 -0.47 -1.11 0.00 0.00 175.55 174.20 1rr8 s TYR 242 N -0.77 0.27 -2.01 2.71 5.04 -0.26 -0.84 117.35 121.48 1rr8 s TYR 242 Ca 0.10 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1rr8 s TYR 242 Cb -0.09 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.65 1rr8 s TYR 242 CO 0.02 -0.23 0.00 -3.47 -1.34 0.00 0.00 175.55 170.53 1rr8 n ASP 243 N 5.13 -5.61 0.00 4.32 -0.08 -0.61 -1.64 116.55 118.07 1rr8 n ASP 243 Ca -0.07 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1rr8 n ASP 243 Cb 0.50 -4.80 0.00 0.00 2.34 0.00 0.00 41.12 39.17 1rr8 n ASP 243 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rr8 n GLY 244 N -0.68 1.79 3.90 0.27 0.00 -1.26 -5.04 105.19 104.16 1rr8 n GLY 244 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1rr8 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rr8 s LYS 245 N -0.57 3.46 0.43 1.61 1.02 -0.65 -5.03 119.74 120.01 1rr8 s LYS 245 Ca 0.00 -0.27 -0.25 0.00 0.02 0.00 0.00 55.97 55.47 1rr8 s LYS 245 Cb 0.00 -3.10 -0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1rr8 s LYS 245 CO 0.00 0.68 1.32 0.08 -0.92 0.00 0.00 175.35 176.51 1rr8 s VAL 246 N -1.30 2.50 -0.22 3.17 1.01 -1.26 -1.10 120.40 123.19 1rr8 s VAL 246 Ca 0.26 0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1rr8 s VAL 246 Cb -0.13 -3.25 0.11 0.00 0.00 0.00 0.00 36.38 33.11 1rr8 s VAL 246 CO 0.17 0.05 0.40 -0.32 0.00 0.00 0.00 175.10 175.40 1rr8 s MET 247 N -2.38 0.33 -0.13 2.72 1.75 -0.79 -4.85 119.30 115.94 1rr8 s MET 247 Ca 0.60 0.83 -0.27 0.00 -1.25 0.00 0.00 55.69 55.60 1rr8 s MET 247 Cb -0.39 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.28 1rr8 s MET 247 CO 0.49 -0.41 0.88 0.15 -0.65 0.00 0.00 175.02 175.48 1rr8 s LYS 248 N 2.59 4.36 0.17 4.11 1.02 -1.26 -4.33 119.74 126.39 1rr8 s LYS 248 Ca 0.05 1.13 -0.08 0.00 0.02 0.00 0.00 55.97 57.09 1rr8 s LYS 248 Cb -0.13 -3.55 -0.06 0.00 -0.52 0.00 0.00 37.83 33.56 1rr8 s LYS 248 CO -0.14 -0.28 0.46 -0.51 -0.92 0.00 0.00 175.35 173.96 1rr8 s LEU 249 N 1.95 4.25 0.57 3.17 1.43 -1.26 -5.08 118.68 123.70 1rr8 s LEU 249 Ca 0.42 0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 54.12 1rr8 s LEU 249 Cb -0.17 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1rr8 s LEU 249 CO 0.15 0.03 1.18 -0.94 0.23 0.00 0.00 176.35 177.00 1rr8 s SER 250 N -2.23 5.40 0.32 2.29 1.04 -1.26 -4.66 113.70 114.59 1rr8 s SER 250 Ca 0.42 2.31 0.08 0.00 0.48 0.00 0.00 55.95 59.24 1rr8 s SER 250 Cb -0.12 -2.59 0.90 0.00 0.10 0.00 0.00 66.02 64.31 1rr8 s SER 250 CO 0.22 -1.44 1.62 -0.65 0.98 0.00 0.00 173.24 173.96 1rr8 h PRO 251 N 1.03 0.13 -0.16 4.02 0.11 -1.98 0.03 132.00 135.18 1rr8 h PRO 251 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1rr8 h PRO 251 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1rr8 h PRO 251 CO 0.56 0.09 0.00 -0.22 -0.21 0.00 0.00 178.00 178.22 1rr8 h LYS 252 N 0.14 0.28 -0.44 1.05 3.64 -1.92 -1.73 116.57 117.59 1rr8 h LYS 252 Ca 0.65 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.82 1rr8 h LYS 252 Cb 1.45 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1rr8 h LYS 252 CO -0.74 0.49 -0.22 0.00 -2.27 0.00 0.00 179.45 176.72 1rr8 h ALA 253 N 0.77 0.77 0.00 5.00 0.00 -1.12 -2.83 119.26 121.85 1rr8 h ALA 253 Ca 0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1rr8 h ALA 253 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rr8 h ALA 253 CO 0.01 0.66 -0.35 1.49 0.00 0.00 0.00 179.25 181.05 1rr8 h GLU 254 N 0.77 0.00 -0.18 0.00 4.81 -0.98 -1.40 114.58 117.60 1rr8 h GLU 254 Ca 0.10 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1rr8 h GLU 254 Cb 0.77 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.16 1rr8 h GLU 254 CO 0.06 0.35 -0.59 1.49 -0.73 0.00 0.00 179.01 179.59 1rr8 h GLU 255 N 0.00 0.73 -0.15 1.92 4.81 -1.08 -2.86 114.58 117.95 1rr8 h GLU 255 Ca -0.00 -0.53 -0.13 0.00 -0.13 0.00 0.00 59.36 58.56 1rr8 h GLU 255 Cb 0.65 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1rr8 h GLU 255 CO 0.05 1.15 -0.47 0.28 -0.73 0.00 0.00 179.01 179.29 1rr8 h VAL 256 N 0.44 1.32 -0.08 0.32 2.07 -1.32 -2.84 116.25 116.16 1rr8 h VAL 256 Ca -0.02 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 1rr8 h VAL 256 Cb 1.21 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1rr8 h VAL 256 CO 0.13 0.51 -0.21 0.00 0.02 0.00 0.00 177.57 178.01 1rr8 h ALA 257 N 1.19 1.50 -0.19 1.67 0.00 -1.24 -2.73 119.26 119.47 1rr8 h ALA 257 Ca 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1rr8 h ALA 257 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1rr8 h ALA 257 CO 0.08 0.36 -0.32 1.79 0.00 0.00 0.00 179.25 181.16 1rr8 h THR 258 N 0.12 1.28 -0.64 0.00 1.35 -1.26 -2.15 112.91 111.61 1rr8 h THR 258 Ca 0.02 -1.36 -0.07 0.00 -0.55 0.00 0.00 66.41 64.45 1rr8 h THR 258 Cb 0.45 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1rr8 h THR 258 CO 0.03 0.42 0.12 -0.26 -0.25 0.00 0.00 175.52 175.58 1rr8 h PHE 259 N 0.33 1.08 -0.17 4.73 0.04 -1.53 -1.77 116.94 119.65 1rr8 h PHE 259 Ca 0.04 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.56 1rr8 h PHE 259 Cb 0.73 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1rr8 h PHE 259 CO 0.02 0.91 -0.35 0.35 -0.60 0.00 0.00 178.31 178.64 1rr8 h PHE 260 N 0.97 0.67 -0.97 -0.55 3.57 -1.56 -3.06 116.94 116.02 1rr8 h PHE 260 Ca 0.20 -0.25 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1rr8 h PHE 260 Cb 0.40 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1rr8 h PHE 260 CO 0.03 0.98 0.61 0.00 -2.23 0.00 0.00 178.31 177.70 1rr8 h ALA 261 N 0.57 1.38 0.00 2.41 0.00 -1.12 -1.28 119.26 121.22 1rr8 h ALA 261 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1rr8 h ALA 261 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rr8 h ALA 261 CO 0.08 0.32 -0.30 0.87 0.00 0.00 0.00 179.25 180.22 1rr8 h LYS 262 N 1.05 0.00 -0.02 0.00 1.57 -1.32 -3.00 116.57 114.85 1rr8 h LYS 262 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1rr8 h LYS 262 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1rr8 h LYS 262 CO -0.21 0.30 -0.21 -1.33 -0.57 0.00 0.00 179.45 177.42 1rr8 n MET 263 N -3.52 1.80 -0.22 3.15 2.81 -0.78 -4.62 117.12 115.74 1rr8 n MET 263 Ca -0.00 -1.48 0.31 0.00 -1.81 0.00 0.00 57.70 54.72 1rr8 n MET 263 Cb 0.45 -1.47 0.73 0.00 -0.71 0.00 0.00 33.22 32.22 1rr8 n MET 263 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rr8 h LEU 264 N 3.60 0.00 -0.92 4.03 5.85 -1.11 -1.24 115.31 125.52 1rr8 h LEU 264 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1rr8 h LEU 264 Cb 0.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1rr8 h LEU 264 CO 0.00 0.00 -0.33 0.44 -0.34 0.00 0.00 178.44 178.21 1rr8 h ASP 265 N 0.00 0.00 -4.07 1.25 3.45 -1.83 -3.46 116.42 111.76 1rr8 h ASP 265 Ca 0.47 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 57.48 1rr8 h ASP 265 Cb 1.95 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.72 1rr8 h ASP 265 CO -0.00 0.33 0.36 -1.00 -1.57 0.00 0.00 179.24 177.35 1rr8 s HIS 266 N -3.57 3.21 -0.23 4.55 3.76 -0.47 -4.98 115.29 117.56 1rr8 s HIS 266 Ca 0.01 1.59 0.28 0.00 -0.15 0.00 0.00 55.06 56.79 1rr8 s HIS 266 Cb 0.10 -2.92 1.15 0.00 1.11 0.00 0.00 32.58 32.03 1rr8 s HIS 266 CO 0.67 -0.36 1.83 0.93 -0.85 0.00 0.00 174.74 176.97 1rr8 h GLU 267 N 1.75 0.00 0.00 1.40 5.08 -1.88 -3.15 114.58 117.78 1rr8 h GLU 267 Ca -0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1rr8 h GLU 267 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1rr8 h GLU 267 CO 0.60 0.00 -0.10 0.10 -1.00 0.00 0.00 179.01 178.61 1rr8 h TYR 268 N 0.00 0.00 0.00 4.33 -0.00 -1.93 -3.10 116.97 116.27 1rr8 h TYR 268 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1rr8 h TYR 268 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 1rr8 h TYR 268 CO 0.00 0.10 0.00 0.25 -0.00 0.00 0.00 178.16 178.51 1rr8 n THR 269 N -3.20 0.00 0.18 -0.90 -2.24 -1.19 -2.21 114.28 104.72 1rr8 n THR 269 Ca 0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1rr8 n THR 269 Cb 0.42 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.31 1rr8 n THR 269 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rr8 n THR 270 N -0.74 0.18 -3.13 4.28 -2.24 -1.17 -4.81 114.28 106.64 1rr8 n THR 270 Ca 0.09 -0.59 -0.37 0.00 -2.27 0.00 0.00 64.05 60.90 1rr8 n THR 270 Cb 0.04 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1rr8 n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rr8 s LYS 271 N -0.57 4.30 0.16 -0.78 1.02 -0.94 -4.99 119.74 117.95 1rr8 s LYS 271 Ca 0.08 0.89 -0.24 0.00 0.02 0.00 0.00 55.97 56.71 1rr8 s LYS 271 Cb 0.05 -3.06 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1rr8 s LYS 271 CO 0.07 0.50 1.59 0.93 -0.92 0.00 0.00 175.35 177.52 1rr8 h GLU 272 N 3.90 -0.28 -0.42 1.68 4.39 -1.96 -1.40 114.58 120.49 1rr8 h GLU 272 Ca -0.48 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1rr8 h GLU 272 Cb 1.20 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1rr8 h GLU 272 CO 0.65 -0.19 0.25 0.82 -1.16 0.00 0.00 179.01 179.38 1rr8 h ILE 273 N -0.29 1.14 0.14 3.13 2.04 -1.95 -1.23 117.51 120.48 1rr8 h ILE 273 Ca 0.15 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1rr8 h ILE 273 Cb 0.55 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1rr8 h ILE 273 CO -0.52 0.14 -0.12 0.15 0.00 0.00 0.00 178.15 177.80 1rr8 h PHE 274 N 0.55 -0.31 -0.51 1.37 3.57 -1.58 -0.89 116.94 119.15 1rr8 h PHE 274 Ca 0.15 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1rr8 h PHE 274 Cb 0.02 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1rr8 h PHE 274 CO -0.03 -0.18 0.00 0.00 -2.23 0.00 0.00 178.31 175.87 1rr8 h ARG 275 N -0.27 0.86 0.02 1.11 3.08 -1.18 -0.73 114.38 117.27 1rr8 h ARG 275 Ca -0.00 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1rr8 h ARG 275 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1rr8 h ARG 275 CO -0.02 0.86 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.51 1rr8 h LYS 276 N 0.80 -0.02 -0.09 0.04 3.64 -1.03 -1.81 116.57 118.09 1rr8 h LYS 276 Ca 0.15 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1rr8 h LYS 276 Cb 0.48 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1rr8 h LYS 276 CO 0.02 0.25 0.04 -0.91 -2.27 0.00 0.00 179.45 176.58 1rr8 h ASN 277 N -0.30 0.12 0.10 4.20 -0.26 -1.11 -1.76 115.58 116.58 1rr8 h ASN 277 Ca -0.00 -0.16 0.02 0.00 -0.56 0.00 0.00 56.30 55.60 1rr8 h ASN 277 Cb 0.28 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1rr8 h ASN 277 CO 0.00 0.24 -0.23 0.15 -1.06 0.00 0.00 177.43 176.54 1rr8 h PHE 278 N -0.01 -0.61 -0.82 1.19 3.57 -0.75 -1.78 116.94 117.73 1rr8 h PHE 278 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1rr8 h PHE 278 Cb 0.16 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1rr8 h PHE 278 CO -0.02 -0.32 0.46 0.35 -2.23 0.00 0.00 178.31 176.55 1rr8 h PHE 279 N -0.42 1.11 -0.53 0.41 3.57 -1.34 -0.17 116.94 119.58 1rr8 h PHE 279 Ca 0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1rr8 h PHE 279 Cb 0.45 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1rr8 h PHE 279 CO -0.22 0.77 0.29 -0.22 -2.23 0.00 0.00 178.31 176.70 1rr8 h LYS 280 N 1.14 0.75 0.00 1.11 3.64 -1.06 -1.97 116.57 120.17 1rr8 h LYS 280 Ca 0.29 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1rr8 h LYS 280 Cb 0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1rr8 h LYS 280 CO -0.05 0.58 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.12 1rr8 h ASP 281 N 0.71 0.00 1.25 4.20 3.45 -1.13 -3.04 116.42 121.86 1rr8 h ASP 281 Ca 0.19 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.52 1rr8 h ASP 281 Cb 0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1rr8 h ASP 281 CO -0.03 0.15 -0.60 -0.25 -1.57 0.00 0.00 179.24 176.95 1rr8 h TRP 282 N 0.00 0.00 -0.70 4.55 7.01 -0.70 -3.25 115.95 122.86 1rr8 h TRP 282 Ca -0.00 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 1rr8 h TRP 282 Cb 0.91 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.94 1rr8 h TRP 282 CO 0.00 0.60 0.15 0.00 -2.79 0.00 0.00 178.44 176.39 1rr8 h ARG 283 N 0.00 1.13 -0.57 2.65 2.47 -1.24 -2.82 114.38 116.01 1rr8 h ARG 283 Ca -0.01 -0.28 -0.05 0.00 -1.26 0.00 0.00 59.98 58.38 1rr8 h ARG 283 Cb 1.38 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.53 1rr8 h ARG 283 CO 0.08 1.01 0.14 0.87 0.56 0.00 0.00 179.97 182.63 1rr8 h LYS 284 N 1.07 0.87 -0.13 0.04 1.57 -1.62 -2.68 116.57 115.68 1rr8 h LYS 284 Ca 0.22 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1rr8 h LYS 284 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1rr8 h LYS 284 CO 0.01 0.78 0.00 0.39 -0.57 0.00 0.00 179.45 180.06 1rr8 n GLU 285 N -4.27 1.33 -4.06 3.15 4.71 -1.07 -4.86 120.64 115.57 1rr8 n GLU 285 Ca 0.04 -0.52 -0.23 0.00 -0.01 0.00 0.00 57.16 56.44 1rr8 n GLU 285 Cb 0.23 -1.15 -0.04 0.00 -1.01 0.00 0.00 31.44 29.47 1rr8 n GLU 285 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1rr8 s MET 286 N -1.82 3.05 0.58 3.49 -1.94 -1.01 -2.60 119.30 119.05 1rr8 s MET 286 Ca 0.13 -0.91 -0.09 0.00 -1.71 0.00 0.00 55.69 53.12 1rr8 s MET 286 Cb 0.07 -2.68 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 1rr8 s MET 286 CO 0.09 0.44 0.95 0.95 -0.01 0.00 0.00 175.02 177.44 1rr8 s THR 287 N -1.95 4.58 0.60 2.05 -4.23 -1.26 -4.86 115.64 110.56 1rr8 s THR 287 Ca 0.33 0.55 0.32 0.00 -1.18 0.00 0.00 61.69 61.71 1rr8 s THR 287 Cb -0.09 -3.80 0.37 0.00 1.34 0.00 0.00 72.50 70.32 1rr8 s THR 287 CO 0.25 -0.95 2.26 0.78 -0.54 0.00 0.00 174.62 176.43 1rr8 h ASN 288 N -0.16 0.00 0.15 3.99 4.21 -1.99 -0.54 115.58 121.24 1rr8 h ASN 288 Ca -0.45 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 56.80 1rr8 h ASN 288 Cb 1.21 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1rr8 h ASN 288 CO 0.62 0.00 -1.03 -0.33 -1.29 0.00 0.00 177.43 175.40 1rr8 h GLU 289 N 0.00 0.58 -0.02 0.81 3.07 -2.01 -3.20 114.58 113.82 1rr8 h GLU 289 Ca 0.01 -0.64 -0.18 0.00 -0.50 0.00 0.00 59.36 58.04 1rr8 h GLU 289 Cb 0.04 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1rr8 h GLU 289 CO -0.00 1.25 -0.80 0.93 -1.40 0.00 0.00 179.01 178.99 1rr8 h GLU 290 N 0.32 0.21 -0.06 2.33 5.08 -1.62 -3.20 114.58 117.64 1rr8 h GLU 290 Ca -0.12 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1rr8 h GLU 290 Cb 1.68 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1rr8 h GLU 290 CO 0.19 0.90 -0.12 0.87 -1.00 0.00 0.00 179.01 179.85 1rr8 h LYS 291 N 0.13 0.09 0.00 2.33 1.57 -1.18 -1.47 116.57 118.04 1rr8 h LYS 291 Ca -0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1rr8 h LYS 291 Cb 1.39 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1rr8 h LYS 291 CO 0.12 0.22 -0.14 -0.91 -0.57 0.00 0.00 179.45 178.17 1rr8 h ASN 292 N 0.09 0.00 0.01 0.86 2.35 -1.54 -3.37 115.58 113.97 1rr8 h ASN 292 Ca 0.02 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.38 1rr8 h ASN 292 Cb 0.28 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 1rr8 h ASN 292 CO 0.02 0.01 -2.15 -0.38 -1.65 0.00 0.00 177.43 173.28 1rr8 n ILE 293 N -3.05 1.54 -2.69 2.81 5.41 -1.09 -4.81 119.36 117.48 1rr8 n ILE 293 Ca 0.03 -0.31 -0.42 0.00 1.00 0.00 0.00 62.75 63.05 1rr8 n ILE 293 Cb 0.54 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 1rr8 n ILE 293 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1rr8 s ILE 294 N -2.47 4.14 -0.05 1.39 1.01 -0.57 -4.83 121.20 119.82 1rr8 s ILE 294 Ca -0.35 -0.74 0.13 0.00 0.00 0.00 0.00 60.65 59.69 1rr8 s ILE 294 Cb 0.11 -4.92 -0.22 0.00 0.01 0.00 0.00 42.46 37.44 1rr8 s ILE 294 CO 0.54 -1.76 0.67 0.35 0.00 0.00 0.00 174.94 174.74 1rr8 n THR 295 N 6.34 1.57 -4.08 2.92 -2.24 -1.26 -4.79 114.28 112.74 1rr8 n THR 295 Ca 0.22 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 61.11 1rr8 n THR 295 Cb 0.50 -1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 67.63 1rr8 n THR 295 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rr8 s ASN 296 N -6.05 0.23 0.22 3.42 2.20 -1.26 -5.06 114.94 108.63 1rr8 s ASN 296 Ca -0.05 -1.08 0.14 0.00 -0.94 0.00 0.00 52.86 50.94 1rr8 s ASN 296 Cb 0.08 0.34 -0.01 0.00 -2.00 0.00 0.00 41.25 39.65 1rr8 s ASN 296 CO 0.82 -0.77 1.31 0.25 -2.94 0.00 0.00 177.10 175.77 1rr8 h LEU 297 N 2.78 0.00 -0.98 3.54 5.85 -1.94 -3.36 115.31 121.20 1rr8 h LEU 297 Ca -0.34 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1rr8 h LEU 297 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1rr8 h LEU 297 CO 0.56 0.59 -0.25 0.28 -0.34 0.00 0.00 178.44 179.28 1rr8 h SER 298 N 0.00 0.00 0.18 1.25 0.02 -2.00 -2.74 113.55 110.26 1rr8 h SER 298 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1rr8 h SER 298 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1rr8 h SER 298 CO 0.07 0.25 -0.09 1.17 -1.14 0.00 0.00 176.83 177.09 1rr8 n LYS 299 N -3.37 1.03 -3.30 3.45 3.00 -1.26 -4.84 118.16 112.87 1rr8 n LYS 299 Ca 0.00 -0.45 -0.38 0.00 -0.00 0.00 0.00 58.31 57.48 1rr8 n LYS 299 Cb 0.46 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.94 1rr8 n LYS 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rr8 s ASP 301 N 0.08 4.94 0.00 0.00 2.15 -0.02 -4.96 116.67 118.85 1rr8 s ASP 301 Ca 0.28 -1.24 0.21 0.00 0.43 0.00 0.00 52.55 52.23 1rr8 s ASP 301 Cb -0.16 -1.73 -0.16 0.00 -0.30 0.00 0.00 42.92 40.56 1rr8 s ASP 301 CO 0.13 -0.27 0.96 0.49 -0.17 0.00 0.00 175.17 176.32 1rr8 n PHE 302 N 4.65 0.00 -0.37 -5.34 3.72 -1.26 -2.99 117.46 115.87 1rr8 n PHE 302 Ca -0.13 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.61 1rr8 n PHE 302 Cb 0.44 -0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.59 1rr8 n PHE 302 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1rr8 n THR 303 N -1.12 -0.36 0.09 4.37 -2.24 -1.26 -0.53 114.28 113.21 1rr8 n THR 303 Ca 0.05 1.95 -0.07 0.00 -2.27 0.00 0.00 64.05 63.71 1rr8 n THR 303 Cb 0.37 -3.17 0.04 0.00 -2.10 0.00 0.00 70.33 65.47 1rr8 n THR 303 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1rr8 h GLN 304 N 0.00 0.20 -0.22 -0.78 4.15 -1.82 -2.23 115.11 114.40 1rr8 h GLN 304 Ca 0.86 -0.18 -0.15 0.00 0.77 0.00 0.00 58.65 59.95 1rr8 h GLN 304 Cb 2.43 0.04 0.00 0.00 0.21 0.00 0.00 27.48 30.16 1rr8 h GLN 304 CO -0.67 0.87 -0.44 0.52 -1.93 0.00 0.00 178.83 177.19 1rr8 h MET 305 N 0.13 0.69 -0.74 1.69 2.86 -1.02 -2.94 114.93 115.59 1rr8 h MET 305 Ca -0.03 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1rr8 h MET 305 Cb 1.35 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.02 1rr8 h MET 305 CO 0.12 1.06 0.47 1.03 1.06 0.00 0.00 176.91 180.65 1rr8 h SER 306 N 0.40 0.88 -0.52 1.22 0.87 -1.25 -2.33 113.55 112.81 1rr8 h SER 306 Ca 0.01 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1rr8 h SER 306 Cb 1.04 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1rr8 h SER 306 CO 0.10 0.66 0.17 1.56 -0.53 0.00 0.00 176.83 178.79 1rr8 h GLN 307 N 1.01 0.86 -0.45 2.24 4.20 -1.38 -2.36 115.11 119.23 1rr8 h GLN 307 Ca 0.27 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1rr8 h GLN 307 Cb -0.07 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1rr8 h GLN 307 CO -0.05 0.75 -0.21 -0.92 -0.67 0.00 0.00 178.83 177.72 1rr8 h TYR 308 N 0.83 1.05 0.00 2.96 5.03 -1.27 -0.91 116.97 124.67 1rr8 h TYR 308 Ca 0.19 -0.25 -0.06 0.00 2.58 0.00 0.00 58.73 61.19 1rr8 h TYR 308 Cb 0.25 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1rr8 h TYR 308 CO 0.02 1.04 -0.29 0.74 -1.32 0.00 0.00 178.16 178.35 1rr8 h PHE 309 N 0.80 0.00 0.14 -3.82 0.04 -1.09 -0.45 116.94 112.56 1rr8 h PHE 309 Ca 0.11 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.59 1rr8 h PHE 309 Cb 0.77 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.93 1rr8 h PHE 309 CO 0.05 0.29 -1.26 0.87 -0.60 0.00 0.00 178.31 177.66 1rr8 h LYS 310 N 0.00 0.37 -0.26 1.51 1.57 -1.28 -2.95 116.57 115.53 1rr8 h LYS 310 Ca -0.00 -0.58 -0.07 0.00 -1.87 0.00 0.00 60.65 58.13 1rr8 h LYS 310 Cb 0.82 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1rr8 h LYS 310 CO 0.04 1.26 -0.14 0.00 -0.57 0.00 0.00 179.45 180.05 1rr8 h ALA 311 N 0.49 1.28 -0.02 3.86 0.00 -0.79 -1.56 119.26 122.52 1rr8 h ALA 311 Ca -0.16 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1rr8 h ALA 311 Cb 1.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1rr8 h ALA 311 CO 0.22 0.48 -0.73 1.96 0.00 0.00 0.00 179.25 181.17 1rr8 h GLN 312 N 0.41 0.16 -0.20 0.00 1.08 -1.09 -1.81 115.11 113.66 1rr8 h GLN 312 Ca 0.08 -0.14 -0.18 0.00 -1.45 0.00 0.00 58.65 56.95 1rr8 h GLN 312 Cb 0.49 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1rr8 h GLN 312 CO 0.03 0.82 -0.61 1.15 -0.95 0.00 0.00 178.83 179.27 1rr8 h THR 313 N 0.11 1.31 0.00 -0.54 2.02 -1.28 -0.32 112.91 114.20 1rr8 h THR 313 Ca -0.02 -1.85 -0.10 0.00 0.77 0.00 0.00 66.41 65.21 1rr8 h THR 313 Cb 1.30 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1rr8 h THR 313 CO 0.11 0.58 -0.47 -0.33 0.37 0.00 0.00 175.52 175.78 1rr8 h GLU 314 N 0.50 0.00 0.00 6.66 4.39 -1.24 -2.93 114.58 121.96 1rr8 h GLU 314 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1rr8 h GLU 314 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1rr8 h GLU 314 CO 0.12 0.47 -0.67 0.00 -1.16 0.00 0.00 179.01 177.77 1rr8 h ALA 315 N 1.53 0.59 0.00 3.43 0.00 -1.13 -3.35 119.26 120.33 1rr8 h ALA 315 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1rr8 h ALA 315 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1rr8 h ALA 315 CO 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 178.82 1rr8 h ARG 316 N 0.00 0.00 -0.08 0.00 3.08 -0.86 -3.23 114.38 113.29 1rr8 h ARG 316 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rr8 h ARG 316 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1rr8 h ARG 316 CO 0.00 0.49 0.00 0.36 -1.07 0.00 0.00 179.97 179.75 1rr8 n LYS 317 N -3.27 1.86 -0.39 0.04 2.85 -1.23 -3.84 118.16 114.19 1rr8 n LYS 317 Ca 0.02 -1.26 0.08 0.00 -1.05 0.00 0.00 58.31 56.09 1rr8 n LYS 317 Cb 0.70 -1.46 0.26 0.00 -0.65 0.00 0.00 35.03 33.88 1rr8 n LYS 317 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1rr8 n GLN 318 N 0.51 3.14 -1.51 -1.58 1.13 -1.22 -5.03 117.38 112.82 1rr8 n GLN 318 Ca 0.17 -2.54 -0.33 0.00 -1.94 0.00 0.00 57.00 52.37 1rr8 n GLN 318 Cb 0.41 -1.61 0.07 0.00 0.11 0.00 0.00 30.24 29.23 1rr8 n GLN 318 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1rr8 s MET 319 N -1.60 2.45 0.74 -1.09 -1.94 -1.25 -5.07 119.30 111.54 1rr8 s MET 319 Ca 0.39 1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 55.65 1rr8 s MET 319 Cb 0.24 -1.91 0.17 0.00 2.01 0.00 0.00 34.83 35.35 1rr8 s MET 319 CO 0.20 -1.53 1.01 -1.13 -0.01 0.00 0.00 175.02 173.55 1rr8 n SER 320 N -2.86 0.14 0.04 3.03 3.41 -1.26 -4.83 113.62 111.28 1rr8 n SER 320 Ca 0.11 -1.40 0.12 0.00 -0.26 0.00 0.00 58.87 57.44 1rr8 n SER 320 Cb 0.52 -0.76 0.50 0.00 -0.26 0.00 0.00 64.21 64.21 1rr8 n SER 320 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1rr8 n LYS 321 N -3.12 0.08 0.00 4.33 5.02 -1.26 -1.86 118.16 121.35 1rr8 n LYS 321 Ca 0.13 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1rr8 n LYS 321 Cb 0.44 -1.61 0.19 0.00 -0.02 0.00 0.00 35.03 34.04 1rr8 n LYS 321 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rr8 n GLU 322 N -1.75 0.38 -0.07 1.97 4.71 -1.26 -3.50 120.64 121.11 1rr8 n GLU 322 Ca 0.06 -0.25 -0.12 0.00 -0.01 0.00 0.00 57.16 56.83 1rr8 n GLU 322 Cb 0.32 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.20 1rr8 n GLU 322 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1rr8 n GLU 323 N -1.09 0.32 0.07 3.49 -0.58 -1.12 -4.10 120.64 117.62 1rr8 n GLU 323 Ca 0.08 0.10 -0.03 0.00 -0.42 0.00 0.00 57.16 56.89 1rr8 n GLU 323 Cb 0.35 -1.15 0.21 0.00 -0.57 0.00 0.00 31.44 30.29 1rr8 n GLU 323 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1rr8 h LYS 324 N -0.22 0.32 0.03 3.49 1.57 -1.56 -2.73 116.57 117.47 1rr8 h LYS 324 Ca -0.32 -0.15 -0.29 0.00 -1.87 0.00 0.00 60.65 58.02 1rr8 h LYS 324 Cb 1.39 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 1rr8 h LYS 324 CO -0.12 0.65 -1.63 1.25 -0.57 0.00 0.00 179.45 179.04 1rr8 h LEU 325 N 0.28 0.10 0.10 2.94 5.85 -1.81 -3.33 115.31 119.44 1rr8 h LEU 325 Ca 0.03 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1rr8 h LEU 325 Cb 0.78 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1rr8 h LEU 325 CO 0.06 1.17 -0.05 0.50 -0.34 0.00 0.00 178.44 179.78 1rr8 h LYS 326 N 0.02 -0.13 -0.15 1.25 3.64 -1.70 -2.38 116.57 117.13 1rr8 h LYS 326 Ca -0.26 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1rr8 h LYS 326 Cb 1.98 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1rr8 h LYS 326 CO 0.10 0.18 -0.12 0.82 -2.27 0.00 0.00 179.45 178.17 1rr8 h ILE 327 N -0.44 1.17 0.00 2.00 2.04 -1.69 -0.98 117.51 119.61 1rr8 h ILE 327 Ca -0.01 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1rr8 h ILE 327 Cb 0.37 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1rr8 h ILE 327 CO 0.02 0.23 0.00 0.11 0.00 0.00 0.00 178.15 178.51 1rr8 h LYS 328 N 0.22 0.00 0.00 2.37 6.56 -1.65 -2.54 116.57 121.53 1rr8 h LYS 328 Ca 0.05 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.48 1rr8 h LYS 328 Cb 0.35 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.98 1rr8 h LYS 328 CO 0.02 0.00 -1.45 0.39 -2.06 0.00 0.00 179.45 176.35 1rr8 n GLU 329 N -2.98 0.62 0.17 3.15 1.02 -0.64 -3.24 120.64 118.73 1rr8 n GLU 329 Ca 0.03 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.43 1rr8 n GLU 329 Cb 0.43 -1.78 0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1rr8 n GLU 329 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1rr8 h GLU 330 N 0.00 0.00 0.00 3.49 4.39 -1.13 -2.89 114.58 118.44 1rr8 h GLU 330 Ca -0.16 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.37 1rr8 h GLU 330 Cb 1.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 1rr8 h GLU 330 CO 0.04 0.21 -0.80 -0.91 -1.16 0.00 0.00 179.01 176.39 1rr8 h ASN 331 N 0.00 0.00 0.41 1.42 -0.26 -1.56 -2.88 115.58 112.71 1rr8 h ASN 331 Ca -0.01 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.48 1rr8 h ASN 331 Cb 1.19 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.45 1rr8 h ASN 331 CO 0.03 0.80 -1.07 -0.33 -1.06 0.00 0.00 177.43 175.79 1rr8 h GLU 332 N 0.00 0.39 0.00 0.81 5.08 -1.52 -2.14 114.58 117.20 1rr8 h GLU 332 Ca -0.01 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1rr8 h GLU 332 Cb 1.48 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1rr8 h GLU 332 CO 0.10 1.17 -0.12 1.57 -1.00 0.00 0.00 179.01 180.74 1rr8 h LYS 333 N 0.18 0.00 0.11 2.33 2.10 -1.54 -2.54 116.57 117.21 1rr8 h LYS 333 Ca -0.11 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.26 1rr8 h LYS 333 Cb 1.74 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.07 1rr8 h LYS 333 CO 0.18 0.12 -1.32 1.25 -2.00 0.00 0.00 179.45 177.68 1rr8 h LEU 334 N 0.00 0.35 -0.99 7.07 5.85 -1.49 -2.86 115.31 123.24 1rr8 h LEU 334 Ca -0.00 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1rr8 h LEU 334 Cb 0.78 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1rr8 h LEU 334 CO 0.02 1.33 -0.46 0.25 -0.34 0.00 0.00 178.44 179.24 1rr8 h LEU 335 N 0.06 0.00 0.00 2.25 7.12 -1.15 -2.01 115.31 121.58 1rr8 h LEU 335 Ca -0.16 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1rr8 h LEU 335 Cb 1.97 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.10 1rr8 h LEU 335 CO 0.18 0.46 -1.27 0.29 -0.13 0.00 0.00 178.44 177.96 1rr8 n LYS 336 N -3.78 0.52 -0.05 1.25 5.02 -0.98 -2.45 118.16 117.69 1rr8 n LYS 336 Ca -0.01 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 1rr8 n LYS 336 Cb 0.51 -1.67 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 1rr8 n LYS 336 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1rr8 n GLU 337 N -2.34 0.69 0.00 1.97 2.13 -1.08 -4.63 120.64 117.38 1rr8 n GLU 337 Ca -0.00 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1rr8 n GLU 337 Cb 0.52 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1rr8 n GLU 337 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1rr8 n TYR 338 N -3.18 0.00 1.43 4.31 4.01 -0.76 -4.72 117.16 118.25 1rr8 n TYR 338 Ca -0.32 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.54 1rr8 n TYR 338 Cb 1.06 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 40.55 1rr8 n TYR 338 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rr8 n GLY 339 N 0.84 -0.02 3.27 2.72 0.00 -1.03 -4.83 105.19 106.14 1rr8 n GLY 339 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1rr8 n GLY 339 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rr8 s PHE 340 N -1.87 1.60 0.06 1.61 0.40 -1.26 -1.37 117.98 117.14 1rr8 s PHE 340 Ca 0.34 -0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1rr8 s PHE 340 Cb 0.18 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1rr8 s PHE 340 CO 0.27 0.21 0.15 0.00 0.70 0.00 0.00 175.22 176.55 1rr8 s ILE 342 N -3.11 4.53 -0.16 0.00 -1.09 0.06 -0.42 121.20 121.01 1rr8 s ILE 342 Ca -0.01 -0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1rr8 s ILE 342 Cb 0.02 -3.10 0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1rr8 s ILE 342 CO -0.07 0.36 0.06 -0.32 -1.23 0.00 0.00 174.94 173.75 1rr8 s MET 343 N 1.29 0.29 -0.14 2.79 1.75 -0.69 -1.12 119.30 123.47 1rr8 s MET 343 Ca 0.05 -0.15 -0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1rr8 s MET 343 Cb -0.15 -1.78 0.00 0.00 2.84 0.00 0.00 34.83 35.74 1rr8 s MET 343 CO 0.04 -0.61 0.04 -0.25 -0.65 0.00 0.00 175.02 173.59 1rr8 n ASP 344 N 5.19 -7.08 0.00 1.11 8.00 -0.89 -3.43 116.55 119.46 1rr8 n ASP 344 Ca -0.07 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1rr8 n ASP 344 Cb 0.48 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 1rr8 n ASP 344 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rr8 n ASN 345 N 0.99 0.00 -4.08 -2.24 4.13 -1.26 -4.92 115.26 107.87 1rr8 n ASN 345 Ca -0.00 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.18 1rr8 n ASN 345 Cb 0.33 -2.21 -0.10 0.00 -1.54 0.00 0.00 39.78 36.26 1rr8 n ASN 345 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1rr8 s HIS 346 N -0.97 0.54 -0.36 3.10 3.76 -1.22 -5.13 115.29 115.01 1rr8 s HIS 346 Ca 0.00 -0.92 -0.15 0.00 -0.15 0.00 0.00 55.06 53.84 1rr8 s HIS 346 Cb 0.00 -0.38 -0.01 0.00 1.11 0.00 0.00 32.58 33.31 1rr8 s HIS 346 CO 0.00 -0.30 0.34 0.21 -0.85 0.00 0.00 174.74 174.15 1rr8 s LYS 347 N -3.36 3.45 0.15 1.40 2.20 -1.26 -1.71 119.74 120.61 1rr8 s LYS 347 Ca 0.03 -0.55 0.09 0.00 -0.36 0.00 0.00 55.97 55.19 1rr8 s LYS 347 Cb 0.04 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1rr8 s LYS 347 CO -0.07 -0.57 -0.21 -1.21 -0.36 0.00 0.00 175.35 172.94 1rr8 s GLU 348 N 1.95 1.30 0.52 4.03 2.02 0.44 -4.95 118.70 124.02 1rr8 s GLU 348 Ca 0.10 -1.37 -0.19 0.00 0.02 0.00 0.00 54.97 53.53 1rr8 s GLU 348 Cb -0.17 -1.49 -0.07 0.00 0.10 0.00 0.00 34.13 32.50 1rr8 s GLU 348 CO 0.12 0.32 1.07 1.03 0.02 0.00 0.00 175.26 177.82 1rr8 s ARG 349 N -2.52 3.57 -0.06 1.61 0.52 -1.26 -0.87 118.95 119.94 1rr8 s ARG 349 Ca 0.15 1.41 -0.03 0.00 -0.52 0.00 0.00 55.73 56.74 1rr8 s ARG 349 Cb -0.07 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1rr8 s ARG 349 CO 0.07 -0.64 0.11 0.42 0.02 0.00 0.00 175.30 175.28 1rr8 s ILE 350 N -2.00 5.06 0.00 1.52 1.01 -0.47 -1.55 121.20 124.77 1rr8 s ILE 350 Ca 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1rr8 s ILE 350 Cb -0.19 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1rr8 s ILE 350 CO 0.25 0.48 0.22 0.00 0.00 0.00 0.00 174.94 175.90 1rr8 n ALA 351 N 1.58 0.00 -3.78 9.38 0.00 -0.25 -4.47 120.51 122.97 1rr8 n ALA 351 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1rr8 n ALA 351 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1rr8 n ALA 351 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rr8 n ASN 352 N -0.33 3.41 0.19 0.00 4.13 -1.26 -4.91 115.26 116.50 1rr8 n ASN 352 Ca 0.00 -3.24 0.04 0.00 1.68 0.00 0.00 54.58 53.06 1rr8 n ASN 352 Cb 0.00 -0.81 0.37 0.00 -1.54 0.00 0.00 39.78 37.80 1rr8 n ASN 352 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1rr8 h PHE 353 N 5.33 0.00 -3.56 3.10 -5.15 -1.90 -3.41 116.94 111.35 1rr8 h PHE 353 Ca 0.16 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.36 1rr8 h PHE 353 Cb 0.75 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.84 1rr8 h PHE 353 CO 0.70 0.38 0.88 0.15 -2.00 0.00 0.00 178.31 178.43 1rr8 s LYS 354 N -3.94 3.63 0.38 6.09 1.02 -1.26 -1.68 119.74 123.98 1rr8 s LYS 354 Ca -0.02 0.39 -0.27 0.00 0.02 0.00 0.00 55.97 56.10 1rr8 s LYS 354 Cb 0.13 -3.95 -0.09 0.00 -0.52 0.00 0.00 37.83 33.40 1rr8 s LYS 354 CO 0.70 -1.45 1.33 0.42 -0.92 0.00 0.00 175.35 175.44 1rr8 s ILE 355 N 4.48 2.56 0.31 2.17 1.01 -0.33 -4.97 121.20 126.43 1rr8 s ILE 355 Ca 0.45 0.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.32 1rr8 s ILE 355 Cb -0.08 -3.32 -0.11 0.00 0.01 0.00 0.00 42.46 38.97 1rr8 s ILE 355 CO 0.29 0.10 1.52 -0.70 0.00 0.00 0.00 174.94 176.15 1rr8 s GLU 356 N -2.11 4.16 0.74 2.79 2.56 -1.26 -3.96 118.70 121.62 1rr8 s GLU 356 Ca 0.54 2.51 -0.11 0.00 0.00 0.00 0.00 54.97 57.92 1rr8 s GLU 356 Cb -0.40 -3.02 0.04 0.00 2.00 0.00 0.00 34.13 32.75 1rr8 s GLU 356 CO 0.52 -0.54 1.08 -1.25 -0.56 0.00 0.00 175.26 174.51 1rr8 s PRO 357 N -1.03 2.53 0.79 4.30 0.04 -1.26 -4.75 135.00 135.62 1rr8 s PRO 357 Ca 0.59 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 1rr8 s PRO 357 Cb -0.46 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.22 1rr8 s PRO 357 CO 0.52 -1.43 1.10 -1.25 0.04 0.00 0.00 177.00 175.98 1rr8 s PRO 358 N -4.96 2.08 0.00 0.56 0.04 -1.26 -4.98 135.00 126.48 1rr8 s PRO 358 Ca 0.60 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1rr8 s PRO 358 Cb -0.16 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1rr8 s PRO 358 CO 0.56 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1rr8 n GLY 359 N -1.02 -0.63 3.57 0.56 0.00 -0.93 -4.98 105.19 101.76 1rr8 n GLY 359 Ca 0.09 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1rr8 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rr8 s LEU 360 N 0.00 3.34 0.33 0.99 1.43 -1.26 0.86 118.68 124.37 1rr8 s LEU 360 Ca 0.00 -0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 1rr8 s LEU 360 Cb 0.00 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.34 1rr8 s LEU 360 CO 0.00 0.27 1.24 -0.55 0.23 0.00 0.00 176.35 177.53 1rr8 s SER 361 N -0.22 6.82 0.00 2.29 0.15 0.08 -4.84 113.70 117.98 1rr8 s SER 361 Ca 0.04 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1rr8 s SER 361 Cb -0.13 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1rr8 s SER 361 CO 0.02 -0.48 0.00 -1.14 1.20 0.00 0.00 173.24 172.84 1rr8 n ARG 362 N 0.73 0.00 0.00 5.44 0.00 -1.26 -0.14 116.66 121.43 1rr8 n ARG 362 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1rr8 n ARG 362 Cb 0.43 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.54 1rr8 n ARG 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rr8 n GLY 363 N 2.38 -0.77 3.16 5.14 0.00 -1.26 -4.59 105.19 109.25 1rr8 n GLY 363 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1rr8 n GLY 363 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rr8 s ARG 364 N 0.00 2.89 1.83 1.61 0.52 -1.26 -5.03 118.95 119.50 1rr8 s ARG 364 Ca 0.00 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1rr8 s ARG 364 Cb 0.00 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1rr8 s ARG 364 CO 0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.72 1rr8 n GLY 365 N 4.05 -0.99 2.93 -3.53 0.00 -1.26 -4.49 105.19 101.90 1rr8 n GLY 365 Ca -0.20 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1rr8 n GLY 365 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rr8 n ASN 366 N 0.35 4.51 -4.71 1.61 4.05 -1.26 -4.98 115.26 114.84 1rr8 n ASN 366 Ca 0.00 -2.95 -0.42 0.00 0.45 0.00 0.00 54.58 51.66 1rr8 n ASN 366 Cb 0.00 -1.60 -0.03 0.00 1.23 0.00 0.00 39.78 39.38 1rr8 n ASN 366 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 1rr8 s HIS 367 N 2.24 3.63 0.33 1.20 2.46 -1.26 -4.35 115.29 119.53 1rr8 s HIS 367 Ca 0.45 1.65 0.19 0.00 0.47 0.00 0.00 55.06 57.82 1rr8 s HIS 367 Cb 0.10 -3.11 0.93 0.00 -0.13 0.00 0.00 32.58 30.38 1rr8 s HIS 367 CO -0.03 -0.04 1.88 -1.35 -2.47 0.00 0.00 174.74 172.73 1rr8 h PRO 368 N 6.85 0.00 -0.35 2.88 0.11 -1.83 -3.07 132.00 136.59 1rr8 h PRO 368 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1rr8 h PRO 368 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rr8 h PRO 368 CO 0.77 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 180.48 1rr8 n LYS 369 N -3.81 2.14 -1.70 1.05 5.02 -1.26 -4.95 118.16 114.66 1rr8 n LYS 369 Ca -0.01 -1.74 -0.43 0.00 -2.02 0.00 0.00 58.31 54.10 1rr8 n LYS 369 Cb 0.38 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1rr8 n LYS 369 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rr8 n MET 370 N 0.94 2.65 0.00 1.97 0.00 -1.16 -1.72 117.12 119.80 1rr8 n MET 370 Ca 0.18 0.96 0.00 0.00 0.00 0.00 0.00 57.70 58.84 1rr8 n MET 370 Cb 0.46 -2.81 0.00 0.00 0.00 0.00 0.00 33.22 30.87 1rr8 n MET 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rr8 n GLY 371 N 3.98 0.31 3.80 3.17 0.00 0.80 -3.77 105.19 113.47 1rr8 n GLY 371 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1rr8 n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rr8 s MET 372 N -0.85 3.63 -0.19 1.61 1.00 -0.70 -2.39 119.30 121.41 1rr8 s MET 372 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 55.69 56.70 1rr8 s MET 372 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 34.83 32.76 1rr8 s MET 372 CO 0.00 -0.57 1.01 -1.17 0.00 0.00 0.00 175.02 174.29 1rr8 s LEU 373 N -3.88 4.14 -0.39 -0.03 2.96 -1.26 -0.74 118.68 119.49 1rr8 s LEU 373 Ca 0.66 1.39 -0.23 0.00 -0.22 0.00 0.00 54.13 55.73 1rr8 s LEU 373 Cb -0.16 -3.51 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1rr8 s LEU 373 CO 0.27 -0.59 0.75 -0.54 -1.32 0.00 0.00 176.35 174.92 1rr8 s LYS 374 N 2.81 3.64 0.65 1.98 1.02 0.25 -4.77 119.74 125.32 1rr8 s LYS 374 Ca 0.44 0.14 -0.14 0.00 0.02 0.00 0.00 55.97 56.43 1rr8 s LYS 374 Cb -0.16 -3.84 -0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1rr8 s LYS 374 CO 0.10 -0.90 1.09 -0.98 -0.92 0.00 0.00 175.35 173.73 1rr8 s ARG 375 N 3.07 2.91 -0.05 1.68 1.70 -1.26 -2.19 118.95 124.80 1rr8 s ARG 375 Ca 0.29 1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 56.53 1rr8 s ARG 375 Cb -0.13 -1.97 -0.04 0.00 -0.57 0.00 0.00 34.95 32.24 1rr8 s ARG 375 CO 0.18 -1.15 1.29 0.50 -1.08 0.00 0.00 175.30 175.05 1rr8 s ARG 376 N -4.25 4.30 -0.10 3.89 3.52 -1.26 -4.60 118.95 120.45 1rr8 s ARG 376 Ca 0.65 1.79 -0.30 0.00 -0.13 0.00 0.00 55.73 57.74 1rr8 s ARG 376 Cb -0.18 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1rr8 s ARG 376 CO 0.43 -0.54 1.20 0.42 -0.81 0.00 0.00 175.30 175.99 1rr8 s ILE 377 N 2.54 4.31 0.22 4.11 -1.09 -1.26 -5.04 121.20 125.00 1rr8 s ILE 377 Ca 0.59 1.62 0.04 0.00 -2.23 0.00 0.00 60.65 60.67 1rr8 s ILE 377 Cb -0.27 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1rr8 s ILE 377 CO 0.23 -0.05 0.35 -0.04 -1.23 0.00 0.00 174.94 174.19 1rr8 s MET 378 N 2.68 3.45 0.52 2.79 -1.94 -1.26 -4.84 119.30 120.69 1rr8 s MET 378 Ca 0.54 -0.68 0.19 0.00 -1.71 0.00 0.00 55.69 54.03 1rr8 s MET 378 Cb -0.23 -2.89 1.31 0.00 2.01 0.00 0.00 34.83 35.03 1rr8 s MET 378 CO 0.18 0.44 2.10 -1.35 -0.01 0.00 0.00 175.02 176.38 1rr8 h PRO 379 N 1.41 0.00 0.00 2.03 0.11 -1.96 -1.18 132.00 132.41 1rr8 h PRO 379 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rr8 h PRO 379 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rr8 h PRO 379 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1rr8 n GLU 380 N -4.48 0.52 0.00 1.05 4.71 -1.17 -1.42 120.64 119.84 1rr8 n GLU 380 Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.20 1rr8 n GLU 380 Cb 0.27 -1.39 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 1rr8 n GLU 380 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1rr8 n ASP 381 N -0.89 0.42 -4.71 1.62 8.00 -0.45 -4.20 116.55 116.35 1rr8 n ASP 381 Ca 0.10 -0.71 -0.40 0.00 0.71 0.00 0.00 54.79 54.49 1rr8 n ASP 381 Cb 0.04 0.94 -0.05 0.00 -0.02 0.00 0.00 41.12 42.03 1rr8 n ASP 381 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rr8 s ILE 382 N -1.62 5.05 -0.39 0.53 -1.09 -0.51 -4.37 121.20 118.79 1rr8 s ILE 382 Ca 0.03 1.38 -0.08 0.00 -2.23 0.00 0.00 60.65 59.75 1rr8 s ILE 382 Cb 0.06 -4.01 0.07 0.00 -1.58 0.00 0.00 42.46 36.99 1rr8 s ILE 382 CO 0.28 0.23 0.21 -0.63 -1.23 0.00 0.00 174.94 173.80 1rr8 s ILE 383 N 1.01 3.97 0.10 2.92 1.01 0.73 -1.91 121.20 129.04 1rr8 s ILE 383 Ca 0.35 -1.41 -0.25 0.00 0.00 0.00 0.00 60.65 59.34 1rr8 s ILE 383 Cb -0.17 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 1rr8 s ILE 383 CO 0.16 -0.44 0.78 -0.63 0.00 0.00 0.00 174.94 174.81 1rr8 s ILE 384 N 1.38 4.57 -0.11 2.92 -1.09 -0.51 -1.47 121.20 126.89 1rr8 s ILE 384 Ca 0.02 1.68 0.04 0.00 -2.23 0.00 0.00 60.65 60.15 1rr8 s ILE 384 Cb -0.22 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1rr8 s ILE 384 CO 0.01 0.43 -0.23 0.21 -1.23 0.00 0.00 174.94 174.14 1rr8 s ASN 385 N -0.52 3.04 0.23 3.58 2.47 -0.22 -0.28 114.94 123.25 1rr8 s ASN 385 Ca 0.38 -0.56 -0.22 0.00 0.42 0.00 0.00 52.86 52.87 1rr8 s ASN 385 Cb -0.22 -1.40 0.05 0.00 -1.45 0.00 0.00 41.25 38.24 1rr8 s ASN 385 CO 0.25 0.13 0.86 0.00 -3.72 0.00 0.00 177.10 174.62 1rr8 s SER 387 N -2.99 6.57 0.60 0.00 1.04 -0.73 -4.09 113.70 114.09 1rr8 s SER 387 Ca 0.13 1.38 0.37 0.00 0.48 0.00 0.00 55.95 58.31 1rr8 s SER 387 Cb -0.04 -2.43 1.87 0.00 0.10 0.00 0.00 66.02 65.52 1rr8 s SER 387 CO 0.05 -0.51 2.19 0.11 0.98 0.00 0.00 173.24 176.06 1rr8 h LYS 388 N 1.03 0.00 -0.16 4.02 1.57 -1.92 -2.32 116.57 118.79 1rr8 h LYS 388 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rr8 h LYS 388 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1rr8 h LYS 388 CO 0.62 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 179.13 1rr8 n ASP 389 N -3.26 2.59 -4.92 0.86 3.85 -1.26 -4.95 116.55 109.47 1rr8 n ASP 389 Ca -0.02 -1.85 -0.29 0.00 -0.71 0.00 0.00 54.79 51.93 1rr8 n ASP 389 Cb 0.18 -0.09 -0.04 0.00 -1.35 0.00 0.00 41.12 39.82 1rr8 n ASP 389 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1rr8 s ALA 390 N -1.82 3.80 -0.50 2.12 0.00 -0.88 -5.03 121.76 119.46 1rr8 s ALA 390 Ca 0.34 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1rr8 s ALA 390 Cb 0.21 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 1rr8 s ALA 390 CO 0.30 0.50 1.61 0.21 0.00 0.00 0.00 175.76 178.38 1rr8 s LYS 391 N -3.13 3.18 0.11 0.00 2.20 -1.26 -4.92 119.74 115.91 1rr8 s LYS 391 Ca 0.40 0.77 -0.32 0.00 -0.36 0.00 0.00 55.97 56.46 1rr8 s LYS 391 Cb -0.11 -4.19 -0.11 0.00 -1.51 0.00 0.00 37.83 31.90 1rr8 s LYS 391 CO 0.28 -2.07 1.82 0.28 -0.36 0.00 0.00 175.35 175.30 1rr8 n VAL 392 N 7.10 0.36 -1.71 4.02 0.31 -1.26 -4.70 118.33 122.45 1rr8 n VAL 392 Ca 0.17 -0.07 -0.40 0.00 -0.01 0.00 0.00 64.34 64.04 1rr8 n VAL 392 Cb 0.49 -2.06 0.02 0.00 -0.91 0.00 0.00 33.84 31.39 1rr8 n VAL 392 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1rr8 n PRO 393 N 5.58 1.79 -2.89 5.55 -0.04 -1.26 -4.98 135.00 138.75 1rr8 n PRO 393 Ca 0.18 0.64 -0.41 0.00 -0.04 0.00 0.00 63.50 63.87 1rr8 n PRO 393 Cb 0.36 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 1rr8 n PRO 393 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rr8 s SER 394 N -0.69 6.94 0.69 3.54 0.01 -1.26 -5.02 113.70 117.91 1rr8 s SER 394 Ca 0.65 1.15 -0.13 0.00 1.31 0.00 0.00 55.95 58.93 1rr8 s SER 394 Cb -0.47 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.32 1rr8 s SER 394 CO 0.55 -0.42 1.09 -2.16 0.41 0.00 0.00 173.24 172.70 1rr8 s PRO 395 N 2.27 2.73 0.35 12.44 0.04 -1.26 -4.98 135.00 146.59 1rr8 s PRO 395 Ca 0.38 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 1rr8 s PRO 395 Cb -0.16 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 1rr8 s PRO 395 CO 0.11 -1.28 1.29 -2.30 0.04 0.00 0.00 177.00 174.87 1rr8 n PRO 396 N -2.85 2.12 -1.71 0.56 -0.02 -1.26 -4.82 135.00 127.03 1rr8 n PRO 396 Ca 0.09 0.75 -0.59 0.00 -2.02 0.00 0.00 63.50 61.73 1rr8 n PRO 396 Cb 0.53 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1rr8 n PRO 396 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rr8 n PRO 397 N 0.52 0.98 0.00 0.52 -0.02 -1.26 -1.29 135.00 134.44 1rr8 n PRO 397 Ca 0.05 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1rr8 n PRO 397 Cb 0.36 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1rr8 n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rr8 n GLY 398 N 4.01 0.05 3.59 -1.23 0.00 -1.26 -5.06 105.19 105.29 1rr8 n GLY 398 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1rr8 n GLY 398 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rr8 s HIS 399 N -2.00 2.49 0.03 1.61 3.76 -0.41 -5.16 115.29 115.61 1rr8 s HIS 399 Ca 0.00 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1rr8 s HIS 399 Cb 0.00 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1rr8 s HIS 399 CO 0.00 0.54 -0.07 0.21 -0.85 0.00 0.00 174.74 174.57 1rr8 s LYS 400 N -3.66 0.48 0.81 1.40 2.20 -1.26 -4.60 119.74 115.10 1rr8 s LYS 400 Ca 0.33 -0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 55.16 1rr8 s LYS 400 Cb -0.00 -0.24 0.07 0.00 -1.51 0.00 0.00 37.83 36.15 1rr8 s LYS 400 CO 0.18 0.04 1.10 -1.58 -0.36 0.00 0.00 175.35 174.73 1rr8 s TRP 401 N -1.24 2.80 0.03 4.03 0.52 -1.26 -3.04 118.94 120.78 1rr8 s TRP 401 Ca -0.09 1.14 -0.19 0.00 0.02 0.00 0.00 56.10 56.98 1rr8 s TRP 401 Cb -0.09 -3.13 -0.19 0.00 -1.15 0.00 0.00 33.47 28.91 1rr8 s TRP 401 CO 0.00 -1.82 1.21 -0.22 0.02 0.00 0.00 176.95 176.14 1rr8 h LYS 402 N -1.12 0.46 -2.07 4.98 3.64 -1.35 -3.45 116.57 117.65 1rr8 h LYS 402 Ca -0.47 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 58.46 1rr8 h LYS 402 Cb 1.27 0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.98 1rr8 h LYS 402 CO 0.59 1.02 0.15 -2.00 -2.27 0.00 0.00 179.45 176.95 1rr8 s GLU 403 N -3.63 1.02 -0.31 1.90 2.12 -1.17 -5.03 118.70 113.61 1rr8 s GLU 403 Ca -0.13 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1rr8 s GLU 403 Cb 0.05 0.48 0.09 0.00 0.26 0.00 0.00 34.13 35.01 1rr8 s GLU 403 CO 0.81 -0.31 0.05 0.08 -0.54 0.00 0.00 175.26 175.35 1rr8 s VAL 404 N -1.14 1.69 0.39 3.70 1.01 -1.26 -1.43 120.40 123.37 1rr8 s VAL 404 Ca -0.11 -1.84 0.08 0.00 0.00 0.00 0.00 61.98 60.11 1rr8 s VAL 404 Cb -0.01 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1rr8 s VAL 404 CO 0.09 -0.54 0.30 0.00 0.00 0.00 0.00 175.10 174.95 1rr8 s ARG 405 N 1.22 2.50 -0.43 2.72 1.70 0.62 -4.99 118.95 122.29 1rr8 s ARG 405 Ca 0.08 -1.54 0.10 0.00 -0.47 0.00 0.00 55.73 53.89 1rr8 s ARG 405 Cb -0.18 -2.30 0.38 0.00 -0.57 0.00 0.00 34.95 32.28 1rr8 s ARG 405 CO -0.13 -0.08 0.91 0.72 -1.08 0.00 0.00 175.30 175.64 1rr8 n HIS 406 N -1.41 2.13 -3.02 5.89 8.25 -1.26 -1.96 115.22 123.85 1rr8 n HIS 406 Ca 0.01 -3.51 -0.43 0.00 -0.26 0.00 0.00 57.72 53.52 1rr8 n HIS 406 Cb 0.62 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 1rr8 n HIS 406 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1rr8 s ASP 407 N -3.10 6.33 0.00 0.41 -1.08 -1.26 -4.91 116.67 113.06 1rr8 s ASP 407 Ca 0.41 -0.39 0.13 0.00 -0.52 0.00 0.00 52.55 52.19 1rr8 s ASP 407 Cb 0.36 -2.36 0.40 0.00 -1.46 0.00 0.00 42.92 39.86 1rr8 s ASP 407 CO -0.09 -0.93 1.32 -0.46 0.52 0.00 0.00 175.17 175.53 1rr8 n ASN 408 N 6.62 2.04 -0.80 -0.34 0.23 -1.26 -3.68 115.26 118.08 1rr8 n ASN 408 Ca -0.01 -1.96 0.13 0.00 -0.53 0.00 0.00 54.58 52.21 1rr8 n ASN 408 Cb 0.47 -0.24 0.24 0.00 -2.08 0.00 0.00 39.78 38.17 1rr8 n ASN 408 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1rr8 n LYS 409 N 0.61 2.10 -4.36 -3.83 4.76 -1.26 -0.49 118.16 115.68 1rr8 n LYS 409 Ca 0.13 -1.60 -0.19 0.00 -2.87 0.00 0.00 58.31 53.78 1rr8 n LYS 409 Cb 0.33 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 1rr8 n LYS 409 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1rr8 s VAL 410 N -2.01 1.64 -2.12 -0.18 -7.23 -1.24 -4.83 120.40 104.43 1rr8 s VAL 410 Ca 0.31 -2.17 0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1rr8 s VAL 410 Cb 0.20 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 35.08 1rr8 s VAL 410 CO 0.31 -0.52 1.04 0.35 -0.31 0.00 0.00 175.10 175.98 1rr8 n THR 411 N -0.42 0.00 -2.95 5.32 -2.24 -1.26 -4.79 114.28 107.95 1rr8 n THR 411 Ca -0.07 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 1rr8 n THR 411 Cb 0.61 1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 70.13 1rr8 n THR 411 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1rr8 s TRP 412 N -1.83 3.44 -0.23 4.78 1.48 -1.26 -4.60 118.94 120.71 1rr8 s TRP 412 Ca 0.20 1.09 0.06 0.00 -1.06 0.00 0.00 56.10 56.39 1rr8 s TRP 412 Cb 0.16 -2.47 -0.18 0.00 -1.16 0.00 0.00 33.47 29.82 1rr8 s TRP 412 CO 0.34 -0.04 -0.14 1.28 -4.06 0.00 0.00 176.95 174.32 1rr8 n LEU 413 N -1.01 2.21 -3.92 -4.66 4.32 -0.71 -4.64 117.00 108.59 1rr8 n LEU 413 Ca 0.03 -0.10 -0.10 0.00 -0.02 0.00 0.00 56.01 55.81 1rr8 n LEU 413 Cb 0.54 -0.52 -0.12 0.00 -1.62 0.00 0.00 43.42 41.70 1rr8 n LEU 413 CO 0.46 0.80 -0.34 -0.69 -1.22 0.00 0.00 177.39 176.40 1rr8 s VAL 414 N -2.48 0.06 0.00 4.08 1.01 -1.21 -1.05 120.40 120.81 1rr8 s VAL 414 Ca -0.27 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1rr8 s VAL 414 Cb 0.08 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.31 1rr8 s VAL 414 CO 0.62 -0.28 0.37 -0.94 0.00 0.00 0.00 175.10 174.87 1rr8 s SER 415 N -0.83 -0.24 0.28 3.32 1.04 -0.54 -1.89 113.70 114.84 1rr8 s SER 415 Ca -0.09 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 1rr8 s SER 415 Cb -0.06 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1rr8 s SER 415 CO -0.00 -0.54 0.60 -1.66 0.98 0.00 0.00 173.24 172.63 1rr8 s TRP 416 N -1.75 0.18 -0.15 5.02 -2.14 -1.01 -0.19 118.94 118.89 1rr8 s TRP 416 Ca -0.10 -0.61 -0.02 0.00 2.66 0.00 0.00 56.10 58.03 1rr8 s TRP 416 Cb -0.03 0.44 -0.02 0.00 -3.10 0.00 0.00 33.47 30.76 1rr8 s TRP 416 CO 0.02 -1.16 -0.07 0.99 -2.66 0.00 0.00 176.95 174.06 1rr8 s THR 417 N -3.71 3.51 0.21 0.66 2.01 -1.26 -1.29 115.64 115.77 1rr8 s THR 417 Ca 0.18 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 1rr8 s THR 417 Cb -0.03 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 1rr8 s THR 417 CO 0.09 0.50 0.50 -1.83 -0.69 0.00 0.00 174.62 173.19 1rr8 s GLU 418 N 0.46 3.72 0.29 4.92 4.04 -1.15 -4.99 118.70 126.00 1rr8 s GLU 418 Ca -0.06 0.13 0.16 0.00 0.04 0.00 0.00 54.97 55.24 1rr8 s GLU 418 Cb -0.15 -2.71 0.09 0.00 0.02 0.00 0.00 34.13 31.38 1rr8 s GLU 418 CO 0.04 0.35 1.43 -2.95 -1.84 0.00 0.00 175.26 172.29 1rr8 h ASN 419 N 2.51 0.00 0.32 0.83 7.08 -1.91 -2.53 115.58 121.87 1rr8 h ASN 419 Ca -0.47 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.74 1rr8 h ASN 419 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1rr8 h ASN 419 CO 0.70 0.44 -0.15 0.40 -2.08 0.00 0.00 177.43 176.74 1rr8 h ILE 420 N 0.00 0.71 0.00 6.14 1.08 -1.97 -3.36 117.51 120.12 1rr8 h ILE 420 Ca -0.01 -0.31 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1rr8 h ILE 420 Cb 1.35 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 1rr8 h ILE 420 CO 0.06 0.06 -1.77 0.00 -0.69 0.00 0.00 178.15 175.81 1rr8 n GLN 421 N -5.20 1.02 -0.56 2.37 1.13 -1.26 -5.02 117.38 109.86 1rr8 n GLN 421 Ca -0.10 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1rr8 n GLN 421 Cb 0.23 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.24 1rr8 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rr8 n GLY 422 N 1.89 0.75 3.87 1.08 0.00 -0.95 -5.06 105.19 106.77 1rr8 n GLY 422 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1rr8 n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rr8 s SER 423 N -2.54 6.41 -0.15 1.61 1.04 -1.26 -4.74 113.70 114.07 1rr8 s SER 423 Ca 0.00 1.34 -0.26 0.00 0.48 0.00 0.00 55.95 57.51 1rr8 s SER 423 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 1rr8 s SER 423 CO 0.00 -0.66 0.86 -0.63 0.98 0.00 0.00 173.24 173.79 1rr8 s ILE 424 N -2.80 4.88 0.05 -1.02 1.01 -1.26 -2.92 121.20 119.13 1rr8 s ILE 424 Ca 0.54 1.70 -0.06 0.00 0.00 0.00 0.00 60.65 62.84 1rr8 s ILE 424 Cb -0.10 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1rr8 s ILE 424 CO 0.42 0.04 0.29 -0.54 0.00 0.00 0.00 174.94 175.15 1rr8 s LYS 425 N 1.99 3.59 0.26 2.79 -0.14 -0.41 -4.96 119.74 122.85 1rr8 s LYS 425 Ca 0.40 -0.10 0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1rr8 s LYS 425 Cb -0.17 -3.02 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1rr8 s LYS 425 CO 0.14 0.60 -0.07 0.71 -0.76 0.00 0.00 175.35 175.97 1rr8 s TYR 426 N -1.40 1.84 -0.21 3.18 1.51 -1.26 -2.41 117.35 118.59 1rr8 s TYR 426 Ca 0.31 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1rr8 s TYR 426 Cb -0.13 -1.01 0.06 0.00 -0.11 0.00 0.00 41.96 40.76 1rr8 s TYR 426 CO 0.19 0.25 -0.05 0.42 -1.11 0.00 0.00 175.55 175.26 1rr8 s ILE 427 N -3.06 1.34 0.45 2.71 1.01 -0.79 -4.96 121.20 117.89 1rr8 s ILE 427 Ca 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1rr8 s ILE 427 Cb 0.03 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 1rr8 s ILE 427 CO 0.10 -0.05 0.00 0.23 0.00 0.00 0.00 174.94 175.22 1rr8 n MET 428 N 4.76 0.91 -2.04 2.79 2.81 -1.26 -1.75 117.12 123.34 1rr8 n MET 428 Ca -0.12 -3.27 -0.33 0.00 -1.81 0.00 0.00 57.70 52.17 1rr8 n MET 428 Cb 0.45 0.88 0.01 0.00 -0.71 0.00 0.00 33.22 33.85 1rr8 n MET 428 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rr8 s LEU 429 N 0.00 3.51 0.81 4.03 1.43 -1.26 -1.09 118.68 126.10 1rr8 s LEU 429 Ca 0.00 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 1rr8 s LEU 429 Cb 0.00 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.76 1rr8 s LEU 429 CO 0.00 -1.20 1.11 0.54 0.23 0.00 0.00 176.35 177.04 1rr8 s ASN 430 N -2.71 4.05 0.64 2.29 2.20 -0.59 -4.31 114.94 116.50 1rr8 s ASN 430 Ca 0.64 1.96 0.33 0.00 -0.94 0.00 0.00 52.86 54.85 1rr8 s ASN 430 Cb -0.17 -2.54 1.80 0.00 -2.00 0.00 0.00 41.25 38.35 1rr8 s ASN 430 CO 0.36 -2.34 2.07 -0.65 -2.94 0.00 0.00 177.10 173.60 1rr8 h PRO 431 N -1.27 0.00 0.00 3.55 0.11 -1.96 -2.63 132.00 129.80 1rr8 h PRO 431 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1rr8 h PRO 431 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1rr8 h PRO 431 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 1rr8 n SER 432 N -3.27 0.00 -4.69 -2.05 3.41 -1.26 -3.94 113.62 101.82 1rr8 n SER 432 Ca -0.00 0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.45 1rr8 n SER 432 Cb 0.32 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.05 1rr8 n SER 432 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rr8 s SER 433 N -2.74 3.24 0.02 4.04 1.04 -0.99 -4.90 113.70 113.40 1rr8 s SER 433 Ca 0.21 0.93 -0.21 0.00 0.48 0.00 0.00 55.95 57.35 1rr8 s SER 433 Cb 0.18 -1.47 -0.17 0.00 0.10 0.00 0.00 66.02 64.66 1rr8 s SER 433 CO 0.44 -2.72 1.29 -0.09 0.98 0.00 0.00 173.24 173.14 1rr8 h ARG 434 N -1.61 0.30 -0.24 4.02 2.43 -1.89 -2.48 114.38 114.91 1rr8 h ARG 434 Ca -0.50 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1rr8 h ARG 434 Cb 1.33 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1rr8 h ARG 434 CO 0.59 0.75 0.16 0.97 -1.51 0.00 0.00 179.97 180.93 1rr8 h ILE 435 N -0.13 1.05 0.09 1.20 2.10 -1.94 -1.12 117.51 118.76 1rr8 h ILE 435 Ca 0.01 -0.11 -0.36 0.00 1.08 0.00 0.00 64.86 65.48 1rr8 h ILE 435 Cb 0.73 0.72 -0.03 0.00 -1.09 0.00 0.00 36.82 37.14 1rr8 h ILE 435 CO 0.04 0.06 -2.08 0.29 -1.08 0.00 0.00 178.15 175.37 1rr8 n LYS 436 N -4.50 0.73 0.05 2.19 4.76 -1.24 -3.86 118.16 116.28 1rr8 n LYS 436 Ca 0.01 0.24 -0.07 0.00 -2.87 0.00 0.00 58.31 55.61 1rr8 n LYS 436 Cb 0.08 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 31.68 1rr8 n LYS 436 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1rr8 h GLY 437 N 1.59 0.44 1.68 0.72 0.00 -1.38 -1.62 103.07 104.50 1rr8 h GLY 437 Ca -0.45 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.22 1rr8 h GLY 437 CO 0.05 0.47 -0.54 -2.09 0.00 0.00 0.00 176.54 174.43 1rr8 h GLU 438 N 0.30 0.33 -0.01 4.80 4.81 -1.40 -0.55 114.58 122.86 1rr8 h GLU 438 Ca -0.00 -0.21 -0.14 0.00 -0.13 0.00 0.00 59.36 58.88 1rr8 h GLU 438 Cb 1.10 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1rr8 h GLU 438 CO 0.10 0.79 -0.66 0.87 -0.73 0.00 0.00 179.01 179.38 1rr8 h LYS 439 N 0.26 0.06 -0.08 1.92 1.79 -1.64 -1.38 116.57 117.50 1rr8 h LYS 439 Ca 0.00 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 1rr8 h LYS 439 Cb 1.04 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1rr8 h LYS 439 CO 0.09 0.69 -0.72 0.22 -1.08 0.00 0.00 179.45 178.65 1rr8 h ASP 440 N 0.04 0.46 -0.23 0.86 3.58 -0.97 -1.64 116.42 118.52 1rr8 h ASP 440 Ca -0.01 -0.30 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 1rr8 h ASP 440 Cb 1.17 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 1rr8 h ASP 440 CO 0.09 1.03 -0.29 -0.25 -2.88 0.00 0.00 179.24 176.94 1rr8 h TRP 441 N 0.27 0.74 -0.01 0.28 7.01 -0.98 -2.89 115.95 120.36 1rr8 h TRP 441 Ca -0.03 -0.24 -0.05 0.00 2.11 0.00 0.00 58.89 60.69 1rr8 h TRP 441 Cb 1.29 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.19 1rr8 h TRP 441 CO 0.04 0.96 -0.22 1.96 -2.79 0.00 0.00 178.44 178.39 1rr8 h GLN 442 N 0.30 0.02 -0.43 2.65 4.20 -1.14 -1.19 115.11 119.53 1rr8 h GLN 442 Ca 0.03 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1rr8 h GLN 442 Cb 0.87 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1rr8 h GLN 442 CO 0.07 0.24 -0.29 -0.22 -0.67 0.00 0.00 178.83 177.96 1rr8 h LYS 443 N 0.02 0.94 -0.01 1.46 3.64 -1.18 -1.76 116.57 119.68 1rr8 h LYS 443 Ca 0.00 -0.44 -0.18 0.00 -1.27 0.00 0.00 60.65 58.76 1rr8 h LYS 443 Cb 0.40 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1rr8 h LYS 443 CO 0.03 1.10 -0.81 1.88 -2.27 0.00 0.00 179.45 179.38 1rr8 h TYR 444 N 0.79 0.22 -0.21 1.91 0.05 -1.24 -2.87 116.97 115.62 1rr8 h TYR 444 Ca 0.09 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1rr8 h TYR 444 Cb 0.87 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 1rr8 h TYR 444 CO 0.05 0.89 -0.30 0.93 -1.05 0.00 0.00 178.16 178.69 1rr8 h GLU 445 N 0.09 0.41 -0.23 4.88 4.39 -1.07 -1.32 114.58 121.73 1rr8 h GLU 445 Ca -0.03 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1rr8 h GLU 445 Cb 1.41 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1rr8 h GLU 445 CO 0.12 0.67 -0.38 1.15 -1.16 0.00 0.00 179.01 179.41 1rr8 h THR 446 N 0.36 1.30 0.00 1.13 2.02 -1.26 -1.39 112.91 115.06 1rr8 h THR 446 Ca 0.05 -1.52 -0.06 0.00 0.77 0.00 0.00 66.41 65.65 1rr8 h THR 446 Cb 0.71 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1rr8 h THR 446 CO 0.05 0.48 -0.28 0.00 0.37 0.00 0.00 175.52 176.14 1rr8 h ALA 447 N 1.17 0.95 0.00 6.16 0.00 -1.21 -2.25 119.26 124.08 1rr8 h ALA 447 Ca 0.04 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 1rr8 h ALA 447 Cb 0.86 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1rr8 h ALA 447 CO 0.07 0.35 -0.95 0.00 0.00 0.00 0.00 179.25 178.72 1rr8 h ARG 448 N 0.00 0.00 0.00 0.00 3.08 -0.78 -3.10 114.38 113.57 1rr8 h ARG 448 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1rr8 h ARG 448 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1rr8 h ARG 448 CO 0.04 0.77 -0.11 0.00 -1.07 0.00 0.00 179.97 179.60 1rr8 h ARG 449 N 0.00 0.00 0.00 0.04 3.08 -0.89 -2.97 114.38 113.64 1rr8 h ARG 449 Ca -0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1rr8 h ARG 449 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1rr8 h ARG 449 CO 0.10 0.11 -0.23 1.25 -1.07 0.00 0.00 179.97 180.13 1rr8 h LEU 450 N 0.00 0.00 -0.57 3.04 5.85 -1.38 -3.28 115.31 118.97 1rr8 h LEU 450 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1rr8 h LEU 450 Cb 1.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1rr8 h LEU 450 CO 0.01 0.23 0.02 0.50 -0.34 0.00 0.00 178.44 178.87 1rr8 h LYS 451 N 0.00 1.00 -0.96 1.25 3.64 -1.45 0.46 116.57 120.51 1rr8 h LYS 451 Ca -0.00 -0.31 -0.30 0.00 -1.27 0.00 0.00 60.65 58.78 1rr8 h LYS 451 Cb 1.10 -0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.64 1rr8 h LYS 451 CO 0.03 0.98 0.38 0.36 -2.27 0.00 0.00 179.45 178.93 1rr8 n LYS 452 N -4.25 2.13 0.00 1.90 2.85 -1.24 -3.62 118.16 115.93 1rr8 n LYS 452 Ca 0.02 -2.04 0.00 0.00 -1.05 0.00 0.00 58.31 55.24 1rr8 n LYS 452 Cb 0.32 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1rr8 n LYS 452 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rr8 h VAL 454 N 0.00 1.22 -0.35 0.00 3.04 -0.97 -1.95 116.25 117.24 1rr8 h VAL 454 Ca 0.00 -0.50 -0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1rr8 h VAL 454 Cb 0.00 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 29.39 1rr8 h VAL 454 CO 0.00 0.23 -0.11 0.44 -1.01 0.00 0.00 177.57 177.12 1rr8 h ASP 455 N 1.08 0.59 -0.05 3.17 3.32 -1.87 0.27 116.42 122.94 1rr8 h ASP 455 Ca 0.28 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 1rr8 h ASP 455 Cb -0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1rr8 h ASP 455 CO -0.05 0.74 -0.60 0.50 -1.72 0.00 0.00 179.24 178.11 1rr8 h LYS 456 N 0.56 0.65 -0.07 3.56 3.64 -1.88 -2.31 116.57 120.73 1rr8 h LYS 456 Ca 0.10 -0.44 -0.23 0.00 -1.27 0.00 0.00 60.65 58.82 1rr8 h LYS 456 Cb 0.52 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1rr8 h LYS 456 CO 0.03 1.06 -0.87 0.82 -2.27 0.00 0.00 179.45 178.22 1rr8 h ILE 457 N 0.49 1.33 -0.49 2.00 2.04 -0.97 -2.78 117.51 119.13 1rr8 h ILE 457 Ca -0.00 -2.18 -0.10 0.00 1.00 0.00 0.00 64.86 63.58 1rr8 h ILE 457 Cb 1.17 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 39.43 1rr8 h ILE 457 CO 0.12 0.67 -0.10 0.03 0.00 0.00 0.00 178.15 178.87 1rr8 h ARG 458 N 0.38 0.88 -0.27 2.37 3.08 -0.45 -2.07 114.38 118.30 1rr8 h ARG 458 Ca -0.07 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.54 1rr8 h ARG 458 Cb 1.49 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 1rr8 h ARG 458 CO 0.16 0.94 -0.39 -0.91 -1.07 0.00 0.00 179.97 178.70 1rr8 h ASN 459 N 0.80 0.68 -0.35 7.04 -0.26 -1.45 -2.67 115.58 119.36 1rr8 h ASN 459 Ca 0.13 -0.30 -0.12 0.00 -0.56 0.00 0.00 56.30 55.46 1rr8 h ASN 459 Cb 0.61 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1rr8 h ASN 459 CO 0.04 0.99 -0.24 -0.61 -1.06 0.00 0.00 177.43 176.55 1rr8 h GLN 460 N 0.53 0.79 0.00 0.81 4.15 -1.31 -2.90 115.11 117.18 1rr8 h GLN 460 Ca 0.05 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 1rr8 h GLN 460 Cb 0.91 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 1rr8 h GLN 460 CO 0.08 1.00 -0.11 0.10 -1.93 0.00 0.00 178.83 177.97 1rr8 h TYR 461 N 0.57 0.00 0.00 3.99 -0.00 -1.37 -2.33 116.97 117.83 1rr8 h TYR 461 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.66 1rr8 h TYR 461 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.51 1rr8 h TYR 461 CO 0.06 0.11 -0.65 0.00 -0.00 0.00 0.00 178.16 177.68 1rr8 h ARG 462 N 0.00 0.00 0.00 0.10 3.08 -1.40 -2.99 114.38 113.17 1rr8 h ARG 462 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1rr8 h ARG 462 Cb 0.83 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 1rr8 h ARG 462 CO 0.01 0.65 -1.22 0.93 -1.07 0.00 0.00 179.97 179.28 1rr8 h GLU 463 N 0.00 0.00 0.00 0.04 5.08 -1.39 -3.33 114.58 114.98 1rr8 h GLU 463 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rr8 h GLU 463 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1rr8 h GLU 463 CO 0.08 0.82 0.00 -0.25 -1.00 0.00 0.00 179.01 178.66 1rr8 n ASP 464 N -3.24 0.13 0.22 1.42 9.92 -0.89 -2.61 116.55 121.50 1rr8 n ASP 464 Ca -0.05 0.53 0.14 0.00 -0.53 0.00 0.00 54.79 54.88 1rr8 n ASP 464 Cb 0.97 -0.56 0.42 0.00 -0.64 0.00 0.00 41.12 41.31 1rr8 n ASP 464 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1rr8 h TRP 465 N 0.00 0.00 0.00 1.24 6.55 -1.66 -3.19 115.95 118.89 1rr8 h TRP 465 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1rr8 h TRP 465 Cb 0.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1rr8 h TRP 465 CO 0.00 0.00 -1.18 1.63 -1.05 0.00 0.00 178.44 177.84 1rr8 n LYS 466 N -2.94 0.40 -1.26 0.49 5.02 -1.07 -4.96 118.16 113.83 1rr8 n LYS 466 Ca 0.03 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 1rr8 n LYS 466 Cb 0.41 -1.62 0.07 0.00 -0.02 0.00 0.00 35.03 33.87 1rr8 n LYS 466 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rr8 n SER 467 N -2.13 -0.87 -0.19 4.39 3.41 -1.20 -4.96 113.62 112.06 1rr8 n SER 467 Ca 0.01 0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1rr8 n SER 467 Cb 0.48 -1.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.19 1rr8 n SER 467 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1rr8 h LYS 468 N -0.38 0.91 -6.24 4.33 1.57 -1.95 -3.44 116.57 111.35 1rr8 h LYS 468 Ca -0.46 -0.24 -0.56 0.00 -1.87 0.00 0.00 60.65 57.52 1rr8 h LYS 468 Cb 1.34 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1rr8 h LYS 468 CO 0.43 0.88 0.04 -1.83 -0.57 0.00 0.00 179.45 178.40 1rr8 s GLU 469 N -5.20 4.35 0.41 3.15 -1.05 -1.26 -4.99 118.70 114.10 1rr8 s GLU 469 Ca -0.12 0.86 0.22 0.00 -0.15 0.00 0.00 54.97 55.78 1rr8 s GLU 469 Cb 0.12 -3.30 0.64 0.00 -0.44 0.00 0.00 34.13 31.15 1rr8 s GLU 469 CO 0.82 0.48 1.70 1.98 0.95 0.00 0.00 175.26 181.19 1rr8 h MET 470 N 5.04 0.00 0.00 -4.83 1.85 -1.99 -3.14 114.93 111.86 1rr8 h MET 470 Ca -0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.59 1rr8 h MET 470 Cb 1.21 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 1rr8 h MET 470 CO 0.67 0.24 -0.14 0.87 -0.40 0.00 0.00 176.91 178.15 1rr8 h LYS 471 N 0.00 0.00 0.05 0.39 1.57 -1.94 -2.22 116.57 114.42 1rr8 h LYS 471 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1rr8 h LYS 471 Cb 0.94 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1rr8 h LYS 471 CO 0.03 0.14 -1.79 0.28 -0.57 0.00 0.00 179.45 177.54 1rr8 h VAL 472 N 0.00 0.79 -0.50 0.50 2.07 -1.92 -3.30 116.25 113.89 1rr8 h VAL 472 Ca -0.00 -2.59 -0.07 0.00 0.82 0.00 0.00 66.70 64.86 1rr8 h VAL 472 Cb 0.27 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1rr8 h VAL 472 CO 0.02 0.65 0.06 0.03 0.02 0.00 0.00 177.57 178.34 1rr8 h ARG 473 N 0.03 0.85 -0.30 1.57 3.08 -1.42 -2.55 114.38 115.64 1rr8 h ARG 473 Ca -0.33 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.33 1rr8 h ARG 473 Cb 2.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 1rr8 h ARG 473 CO 0.09 0.86 -0.43 1.96 -1.07 0.00 0.00 179.97 181.37 1rr8 h GLN 474 N 0.72 0.74 -0.90 0.04 4.20 -1.60 -2.42 115.11 115.90 1rr8 h GLN 474 Ca 0.15 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1rr8 h GLN 474 Cb 0.44 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1rr8 h GLN 474 CO 0.01 1.03 0.48 -0.09 -0.67 0.00 0.00 178.83 179.59 1rr8 h ARG 475 N 0.60 1.26 -0.01 1.46 2.43 -1.62 -0.99 114.38 117.50 1rr8 h ARG 475 Ca 0.04 -0.16 -0.18 0.00 -0.81 0.00 0.00 59.98 58.88 1rr8 h ARG 475 Cb 0.99 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1rr8 h ARG 475 CO 0.09 0.93 -0.79 0.00 -1.51 0.00 0.00 179.97 178.69 1rr8 h ALA 476 N 1.26 0.64 0.03 2.80 0.00 -1.37 -1.74 119.26 120.89 1rr8 h ALA 476 Ca 0.31 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 1rr8 h ALA 476 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rr8 h ALA 476 CO -0.05 0.89 -1.00 0.28 0.00 0.00 0.00 179.25 179.37 1rr8 h VAL 477 N 0.09 1.47 -0.21 0.00 2.07 -1.18 -2.06 116.25 116.44 1rr8 h VAL 477 Ca -0.03 -2.71 -0.16 0.00 0.82 0.00 0.00 66.70 64.62 1rr8 h VAL 477 Cb 1.39 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1rr8 h VAL 477 CO 0.12 0.79 -0.53 0.00 0.02 0.00 0.00 177.57 177.97 1rr8 h ALA 478 N 0.79 0.67 0.00 1.67 0.00 -1.17 -2.68 119.26 118.53 1rr8 h ALA 478 Ca -0.08 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1rr8 h ALA 478 Cb 1.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1rr8 h ALA 478 CO 0.16 0.68 -0.47 1.25 0.00 0.00 0.00 179.25 180.88 1rr8 h LEU 479 N 0.48 0.00 -0.42 0.00 5.85 -1.31 -2.40 115.31 117.51 1rr8 h LEU 479 Ca 0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1rr8 h LEU 479 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1rr8 h LEU 479 CO 0.10 0.47 -0.07 0.22 -0.34 0.00 0.00 178.44 178.82 1rr8 h TYR 480 N 0.00 0.87 -0.52 1.25 3.20 -1.19 -1.74 116.97 118.84 1rr8 h TYR 480 Ca -0.00 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 1rr8 h TYR 480 Cb 1.01 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1rr8 h TYR 480 CO 0.00 0.89 -0.02 0.74 -1.64 0.00 0.00 178.16 178.13 1rr8 h PHE 481 N 0.61 1.02 0.00 -3.82 0.04 -1.31 -0.38 116.94 113.10 1rr8 h PHE 481 Ca 0.11 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 1rr8 h PHE 481 Cb 0.59 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1rr8 h PHE 481 CO 0.05 0.95 -0.35 0.82 -0.60 0.00 0.00 178.31 179.17 1rr8 h ILE 482 N 0.80 1.22 0.00 -0.55 2.04 -1.35 -0.55 117.51 119.12 1rr8 h ILE 482 Ca 0.15 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 1rr8 h ILE 482 Cb 0.55 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1rr8 h ILE 482 CO 0.03 0.35 -0.40 -0.78 0.00 0.00 0.00 178.15 177.34 1rr8 h ASP 483 N 0.00 0.00 0.04 1.72 3.58 -1.12 -3.12 116.42 117.52 1rr8 h ASP 483 Ca -0.00 -0.49 -0.00 0.00 0.42 0.00 0.00 57.03 56.96 1rr8 h ASP 483 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1rr8 h ASP 483 CO 0.05 0.97 -0.02 0.50 -2.88 0.00 0.00 179.24 177.86 1rr8 h LYS 484 N -1.00 -0.05 -0.52 0.28 3.64 -1.11 -3.33 116.57 114.47 1rr8 h LYS 484 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1rr8 h LYS 484 Cb 0.77 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1rr8 h LYS 484 CO -0.05 0.40 0.00 1.28 -2.27 0.00 0.00 179.45 178.81 1rr8 n LEU 485 N -4.89 3.67 -4.04 5.20 4.77 -0.23 -4.99 117.00 116.49 1rr8 n LEU 485 Ca -0.08 -1.69 -0.33 0.00 -0.03 0.00 0.00 56.01 53.87 1rr8 n LEU 485 Cb 0.25 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1rr8 n LEU 485 CO 0.33 0.84 0.02 0.00 -1.33 0.00 0.00 177.39 177.25 1rr8 n ALA 486 N 1.56 -1.24 -1.32 -1.18 0.00 -1.15 -4.89 120.51 112.29 1rr8 n ALA 486 Ca 0.21 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 1rr8 n ALA 486 Cb 0.62 -3.80 0.08 0.00 0.00 0.00 0.00 19.45 16.34 1rr8 n ALA 486 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rr8 s LEU 487 N -7.20 3.04 0.21 0.00 1.43 -1.24 -4.85 118.68 110.07 1rr8 s LEU 487 Ca 0.69 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 1rr8 s LEU 487 Cb -0.37 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.27 1rr8 s LEU 487 CO 0.85 -1.92 0.67 -0.13 0.23 0.00 0.00 176.35 176.05 1rr8 s ARG 488 N -4.94 4.12 -0.72 1.70 0.52 -1.26 -4.74 118.95 113.63 1rr8 s ARG 488 Ca 0.60 0.70 -0.26 0.00 -0.52 0.00 0.00 55.73 56.26 1rr8 s ARG 488 Cb -0.16 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1rr8 s ARG 488 CO 0.56 0.38 1.81 0.00 0.02 0.00 0.00 175.30 178.07 1rr8 s ALA 489 N -1.59 2.12 -0.69 2.13 0.00 -1.26 -1.19 121.76 121.29 1rr8 s ALA 489 Ca 0.43 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 1rr8 s ALA 489 Cb -0.15 -4.38 -0.07 0.00 0.00 0.00 0.00 23.12 18.52 1rr8 s ALA 489 CO 0.20 -4.07 2.19 0.20 0.00 0.00 0.00 175.76 174.28 1rr8 s GLY 490 N 7.53 -0.27 0.68 0.00 0.00 -1.26 -4.85 107.32 109.15 1rr8 s GLY 490 Ca 0.64 -0.68 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 1rr8 s GLY 490 CO 0.13 3.87 1.11 -1.31 0.00 0.00 0.00 173.10 176.90 1rr8 s ASN 491 N 10.04 4.93 -0.31 1.64 -0.87 -1.26 -2.84 114.94 126.27 1rr8 s ASN 491 Ca 0.83 1.99 -0.23 0.00 -1.57 0.00 0.00 52.86 53.88 1rr8 s ASN 491 Cb -0.13 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.56 1rr8 s ASN 491 CO 0.14 -1.75 0.77 -1.83 -2.57 0.00 0.00 177.10 171.86 1rr8 s GLU 492 N -4.23 3.94 0.51 -0.60 1.03 -1.26 -4.83 118.70 113.26 1rr8 s GLU 492 Ca 0.66 0.53 -0.02 0.00 0.03 0.00 0.00 54.97 56.18 1rr8 s GLU 492 Cb -0.20 -3.73 0.01 0.00 -0.80 0.00 0.00 34.13 29.40 1rr8 s GLU 492 CO 0.44 -0.68 0.76 0.15 -1.33 0.00 0.00 175.26 174.60 1rr8 s LYS 493 N 2.92 2.94 -0.18 -4.83 3.01 -1.26 -5.07 119.74 117.27 1rr8 s LYS 493 Ca 0.31 -0.38 -0.20 0.00 -1.01 0.00 0.00 55.97 54.70 1rr8 s LYS 493 Cb -0.14 -2.46 -0.03 0.00 -1.01 0.00 0.00 37.83 34.19 1rr8 s LYS 493 CO 0.13 -0.47 0.56 -2.00 0.51 0.00 0.00 175.35 174.08 1rr8 s GLU 494 N -4.72 4.24 -0.14 1.68 2.12 -1.26 -5.01 118.70 115.61 1rr8 s GLU 494 Ca 0.51 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 56.08 1rr8 s GLU 494 Cb -0.10 -3.54 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 1rr8 s GLU 494 CO 0.40 -0.12 2.15 -0.85 -0.54 0.00 0.00 175.26 176.30 1rr8 n GLU 495 N 4.63 2.24 0.00 4.30 0.28 -1.26 -2.68 120.64 128.15 1rr8 n GLU 495 Ca -0.04 0.70 0.00 0.00 -0.16 0.00 0.00 57.16 57.66 1rr8 n GLU 495 Cb 0.50 -3.17 0.00 0.00 1.43 0.00 0.00 31.44 30.21 1rr8 n GLU 495 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rr8 n GLY 496 N 5.39 0.96 0.11 -1.84 0.00 -1.26 -5.01 105.19 103.54 1rr8 n GLY 496 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1rr8 n GLY 496 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rr8 n GLU 497 N -1.19 0.54 -4.69 1.61 -0.58 -1.09 -4.77 120.64 110.47 1rr8 n GLU 497 Ca 0.00 0.37 -0.31 0.00 -0.42 0.00 0.00 57.16 56.81 1rr8 n GLU 497 Cb 0.00 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.20 1rr8 n GLU 497 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1rr8 s THR 498 N -2.52 1.57 0.49 2.62 -4.23 -1.26 -4.54 115.64 107.77 1rr8 s THR 498 Ca -0.30 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 57.99 1rr8 s THR 498 Cb 0.08 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.29 1rr8 s THR 498 CO 0.45 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 175.87 1rr8 s ALA 499 N -2.80 3.00 -0.54 3.99 0.00 -1.26 -4.67 121.76 119.48 1rr8 s ALA 499 Ca 0.20 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.20 1rr8 s ALA 499 Cb 0.06 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1rr8 s ALA 499 CO 0.10 -1.17 2.01 0.34 0.00 0.00 0.00 175.76 177.05 1rr8 s ASP 500 N -0.87 5.11 0.04 0.00 2.15 -1.26 -4.93 116.67 116.90 1rr8 s ASP 500 Ca 0.66 0.67 0.02 0.00 0.43 0.00 0.00 52.55 54.34 1rr8 s ASP 500 Cb -0.39 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 39.68 1rr8 s ASP 500 CO 0.48 -2.44 -0.08 0.42 -0.17 0.00 0.00 175.17 173.39 1rr8 s THR 501 N 9.69 0.56 0.37 1.71 -4.23 -1.26 -4.87 115.64 117.61 1rr8 s THR 501 Ca 0.77 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1rr8 s THR 501 Cb -0.15 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 1rr8 s THR 501 CO 0.24 -0.29 0.09 0.68 -0.54 0.00 0.00 174.62 174.80 1rr8 s VAL 502 N -1.18 0.84 0.00 2.29 -7.23 -0.41 -4.98 120.40 109.73 1rr8 s VAL 502 Ca -0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1rr8 s VAL 502 Cb -0.09 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1rr8 s VAL 502 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1rr8 n GLY 503 N -0.81 4.06 0.17 2.32 0.00 -1.26 -4.23 105.19 105.44 1rr8 n GLY 503 Ca -0.05 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 1rr8 n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rr8 n SER 506 N -3.02 4.31 -4.76 0.00 3.41 -1.04 -4.70 113.62 107.83 1rr8 n SER 506 Ca 0.04 -2.18 -0.41 0.00 -0.26 0.00 0.00 58.87 56.05 1rr8 n SER 506 Cb 0.48 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1rr8 n SER 506 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rr8 s LEU 507 N -1.34 4.37 0.34 1.04 1.43 -0.77 -4.66 118.68 119.09 1rr8 s LEU 507 Ca 0.50 2.81 0.07 0.00 -1.03 0.00 0.00 54.13 56.49 1rr8 s LEU 507 Cb 0.29 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1rr8 s LEU 507 CO 0.30 -0.75 0.38 -0.13 0.23 0.00 0.00 176.35 176.38 1rr8 s ARG 508 N -1.03 2.89 0.33 1.70 0.52 -1.26 -0.88 118.95 121.22 1rr8 s ARG 508 Ca 0.57 -1.18 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 1rr8 s ARG 508 Cb -0.44 -2.63 0.67 0.00 0.52 0.00 0.00 34.95 33.08 1rr8 s ARG 508 CO 0.50 0.06 1.91 0.28 0.02 0.00 0.00 175.30 178.07 1rr8 h VAL 509 N 1.07 0.98 0.00 3.52 2.07 -1.57 -2.08 116.25 120.25 1rr8 h VAL 509 Ca -0.45 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1rr8 h VAL 509 Cb 1.26 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1rr8 h VAL 509 CO 0.56 0.16 0.00 -1.84 0.02 0.00 0.00 177.57 176.46 1rr8 n GLU 510 N -4.51 0.09 0.00 1.57 0.28 -1.20 -3.00 120.64 113.88 1rr8 n GLU 510 Ca 0.14 0.33 0.14 0.00 -0.16 0.00 0.00 57.16 57.61 1rr8 n GLU 510 Cb 0.29 -1.68 0.54 0.00 1.43 0.00 0.00 31.44 32.01 1rr8 n GLU 510 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1rr8 n HIS 511 N -1.86 0.00 -4.23 -1.84 8.25 -0.78 -4.84 115.22 109.92 1rr8 n HIS 511 Ca 0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 1rr8 n HIS 511 Cb 0.20 -0.23 -0.14 0.00 1.12 0.00 0.00 29.99 30.94 1rr8 n HIS 511 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1rr8 s ILE 512 N -2.64 0.65 -0.20 1.59 -4.36 -1.16 -1.21 121.20 113.86 1rr8 s ILE 512 Ca 0.24 -0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 60.01 1rr8 s ILE 512 Cb 0.19 -0.59 0.06 0.00 1.25 0.00 0.00 42.46 43.37 1rr8 s ILE 512 CO 0.52 0.01 0.01 0.20 0.24 0.00 0.00 174.94 175.92 1rr8 s ASN 513 N -0.66 3.16 0.03 4.36 0.01 -0.72 -4.99 114.94 116.13 1rr8 s ASN 513 Ca -0.00 -0.91 -0.30 0.00 -0.71 0.00 0.00 52.86 50.93 1rr8 s ASN 513 Cb -0.05 -0.76 -0.05 0.00 0.41 0.00 0.00 41.25 40.80 1rr8 s ASN 513 CO 0.00 -0.28 1.14 -0.76 -1.51 0.00 0.00 177.10 175.69 1rr8 s LEU 514 N 1.73 4.36 -0.13 0.60 1.43 -1.26 -2.28 118.68 123.12 1rr8 s LEU 514 Ca -0.02 1.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1rr8 s LEU 514 Cb -0.17 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.51 1rr8 s LEU 514 CO -0.07 -0.43 -0.01 -1.00 0.23 0.00 0.00 176.35 175.07 1rr8 s HIS 515 N 1.21 1.03 0.13 0.29 3.76 -0.56 -5.02 115.29 116.12 1rr8 s HIS 515 Ca 0.56 -0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 54.74 1rr8 s HIS 515 Cb -0.26 -1.00 -0.01 0.00 1.11 0.00 0.00 32.58 32.42 1rr8 s HIS 515 CO 0.28 -0.48 1.66 -1.35 -0.85 0.00 0.00 174.74 174.00 1rr8 h PRO 516 N 8.25 0.63 -3.04 8.40 0.11 -1.94 0.16 132.00 144.58 1rr8 h PRO 516 Ca -0.21 -0.13 -0.37 0.00 0.11 0.00 0.00 66.00 65.41 1rr8 h PRO 516 Cb 1.12 -0.09 -0.38 0.00 0.11 0.00 0.00 31.00 31.76 1rr8 h PRO 516 CO 0.32 0.61 -0.69 -2.00 -0.21 0.00 0.00 178.00 176.03 1rr8 s GLU 517 N -5.44 0.04 -0.11 1.05 2.12 -1.26 -0.95 118.70 114.15 1rr8 s GLU 517 Ca -0.13 0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.39 1rr8 s GLU 517 Cb 0.10 -0.96 0.04 0.00 0.26 0.00 0.00 34.13 33.57 1rr8 s GLU 517 CO 0.76 -0.48 0.27 -1.17 -0.54 0.00 0.00 175.26 174.10 1rr8 s LEU 518 N 2.22 0.57 -1.99 2.70 1.98 -1.04 -4.90 118.68 118.23 1rr8 s LEU 518 Ca 0.04 0.57 0.00 0.00 -2.89 0.00 0.00 54.13 51.85 1rr8 s LEU 518 Cb -0.14 0.88 0.00 0.00 0.66 0.00 0.00 46.19 47.59 1rr8 s LEU 518 CO -0.07 -0.14 0.00 0.47 -1.89 0.00 0.00 176.35 174.72 1rr8 n ASP 519 N 3.73 -5.25 0.00 3.68 8.00 -1.26 -1.79 116.55 123.66 1rr8 n ASP 519 Ca -0.20 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1rr8 n ASP 519 Cb 0.55 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1rr8 n ASP 519 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rr8 n GLY 520 N -0.50 0.47 3.31 0.44 0.00 -1.26 -5.06 105.19 102.59 1rr8 n GLY 520 Ca -0.20 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1rr8 n GLY 520 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rr8 s GLN 521 N -1.59 1.69 0.11 1.61 -0.21 -0.74 -5.14 119.66 115.39 1rr8 s GLN 521 Ca 0.00 -1.04 -0.15 0.00 0.02 0.00 0.00 55.36 54.19 1rr8 s GLN 521 Cb 0.00 -1.83 -0.07 0.00 1.00 0.00 0.00 33.01 32.11 1rr8 s GLN 521 CO 0.00 0.47 0.53 -1.21 -2.12 0.00 0.00 175.29 172.97 1rr8 s GLU 522 N -1.16 4.02 -0.97 2.91 8.01 -1.26 -2.49 118.70 127.75 1rr8 s GLU 522 Ca 0.10 0.53 -0.12 0.00 0.01 0.00 0.00 54.97 55.50 1rr8 s GLU 522 Cb -0.10 -3.05 -0.00 0.00 -4.31 0.00 0.00 34.13 26.68 1rr8 s GLU 522 CO 0.02 0.55 0.72 0.66 0.01 0.00 0.00 175.26 177.22 1rr8 n TYR 523 N 1.16 -2.15 -3.17 1.61 4.02 -0.13 -4.37 117.16 114.13 1rr8 n TYR 523 Ca -0.08 0.68 -0.39 0.00 -0.01 0.00 0.00 57.90 58.10 1rr8 n TYR 523 Cb 0.52 -3.37 -0.05 0.00 -0.02 0.00 0.00 39.34 36.41 1rr8 n TYR 523 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1rr8 s VAL 524 N -3.24 5.08 -0.28 -0.72 1.01 0.04 -1.80 120.40 120.50 1rr8 s VAL 524 Ca 0.25 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 1rr8 s VAL 524 Cb -0.09 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1rr8 s VAL 524 CO 0.85 0.31 -0.00 -0.69 0.00 0.00 0.00 175.10 175.56 1rr8 s VAL 525 N 0.58 3.21 -0.54 2.92 1.01 -0.69 -1.50 120.40 125.39 1rr8 s VAL 525 Ca 0.32 -1.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1rr8 s VAL 525 Cb -0.17 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1rr8 s VAL 525 CO 0.15 0.07 0.66 -0.70 0.00 0.00 0.00 175.10 175.29 1rr8 s GLU 526 N 1.35 3.10 -0.00 2.72 2.12 -0.97 -2.19 118.70 124.83 1rr8 s GLU 526 Ca -0.01 -1.02 -0.24 0.00 0.36 0.00 0.00 54.97 54.06 1rr8 s GLU 526 Cb -0.18 -4.15 -0.05 0.00 0.26 0.00 0.00 34.13 30.01 1rr8 s GLU 526 CO -0.02 -1.34 0.73 -0.06 -0.54 0.00 0.00 175.26 174.03 1rr8 s PHE 527 N 2.70 3.67 -0.42 5.30 0.40 -0.82 -1.75 117.98 127.06 1rr8 s PHE 527 Ca 0.14 1.37 0.05 0.00 -0.60 0.00 0.00 56.93 57.89 1rr8 s PHE 527 Cb -0.21 -2.80 0.17 0.00 0.51 0.00 0.00 43.02 40.69 1rr8 s PHE 527 CO 0.10 0.21 0.47 0.34 0.70 0.00 0.00 175.22 177.04 1rr8 s ASP 528 N 0.27 0.44 0.30 1.36 2.15 -0.35 -3.26 116.67 117.57 1rr8 s ASP 528 Ca 0.38 -2.02 0.03 0.00 0.43 0.00 0.00 52.55 51.37 1rr8 s ASP 528 Cb -0.19 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 1rr8 s ASP 528 CO 0.21 -0.18 0.14 0.72 -0.17 0.00 0.00 175.17 175.89 1rr8 s PHE 529 N 0.91 1.59 -0.28 -5.34 -0.12 -1.13 -4.65 117.98 108.96 1rr8 s PHE 529 Ca 0.25 -1.31 -0.06 0.00 -0.05 0.00 0.00 56.93 55.75 1rr8 s PHE 529 Cb -0.06 -0.88 -0.00 0.00 -0.63 0.00 0.00 43.02 41.45 1rr8 s PHE 529 CO -0.08 -0.46 0.06 -0.51 -0.05 0.00 0.00 175.22 174.18 1rr8 s LEU 530 N -3.37 3.64 0.00 -1.99 1.43 -1.26 -0.96 118.68 116.17 1rr8 s LEU 530 Ca 0.36 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1rr8 s LEU 530 Cb 0.06 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1rr8 s LEU 530 CO 0.16 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1rr8 n GLY 531 N 4.87 0.60 3.76 -3.19 0.00 0.19 -1.29 105.19 110.13 1rr8 n GLY 531 Ca -0.15 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1rr8 n GLY 531 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rr8 s LYS 532 N 0.99 3.66 -1.61 1.61 2.20 -1.26 -2.46 119.74 122.87 1rr8 s LYS 532 Ca 0.00 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1rr8 s LYS 532 Cb 0.00 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1rr8 s LYS 532 CO 0.00 -0.81 0.00 -0.25 -0.36 0.00 0.00 175.35 173.93 1rr8 n ASP 533 N -0.25 -4.90 -2.08 1.43 8.00 -1.26 -2.76 116.55 114.74 1rr8 n ASP 533 Ca 0.05 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.63 1rr8 n ASP 533 Cb 0.42 -3.87 -0.04 0.00 -0.02 0.00 0.00 41.12 37.61 1rr8 n ASP 533 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rr8 n SER 534 N -0.74 -5.41 -4.67 -2.24 7.64 -1.03 -4.67 113.62 102.51 1rr8 n SER 534 Ca -0.17 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 1rr8 n SER 534 Cb 0.56 -4.62 -0.03 0.00 -1.01 0.00 0.00 64.21 59.11 1rr8 n SER 534 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rr8 s ILE 535 N -2.84 4.82 0.17 0.44 1.01 -1.11 -4.78 121.20 118.91 1rr8 s ILE 535 Ca 0.00 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 1rr8 s ILE 535 Cb 0.00 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 1rr8 s ILE 535 CO 0.00 -0.03 1.30 -0.60 0.00 0.00 0.00 174.94 175.61 1rr8 s ARG 536 N 2.44 4.39 -0.20 2.79 3.52 -1.26 -0.64 118.95 129.99 1rr8 s ARG 536 Ca 0.41 2.02 -0.04 0.00 -0.13 0.00 0.00 55.73 57.98 1rr8 s ARG 536 Cb -0.16 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1rr8 s ARG 536 CO 0.11 -0.27 -0.03 -0.47 -0.81 0.00 0.00 175.30 173.84 1rr8 s TYR 537 N 0.35 2.99 -0.08 5.12 6.14 -0.13 -4.91 117.35 126.83 1rr8 s TYR 537 Ca 0.58 -0.65 -0.02 0.00 0.64 0.00 0.00 57.07 57.62 1rr8 s TYR 537 Cb -0.36 -2.08 0.03 0.00 0.42 0.00 0.00 41.96 39.98 1rr8 s TYR 537 CO 0.36 -0.36 0.02 -0.47 0.64 0.00 0.00 175.55 175.74 1rr8 s TYR 538 N 1.15 0.55 -0.19 4.97 5.04 -1.26 -2.83 117.35 124.78 1rr8 s TYR 538 Ca 0.02 -0.16 -0.10 0.00 -2.44 0.00 0.00 57.07 54.40 1rr8 s TYR 538 Cb -0.15 -0.75 0.07 0.00 0.35 0.00 0.00 41.96 41.48 1rr8 s TYR 538 CO 0.00 -0.34 0.46 1.21 -1.34 0.00 0.00 175.55 175.54 1rr8 s ASN 539 N 2.01 -0.56 -0.60 4.32 2.47 -1.20 -5.02 114.94 116.36 1rr8 s ASN 539 Ca 0.04 1.00 -0.13 0.00 0.42 0.00 0.00 52.86 54.19 1rr8 s ASN 539 Cb -0.13 0.94 0.15 0.00 -1.45 0.00 0.00 41.25 40.76 1rr8 s ASN 539 CO -0.05 -0.20 0.53 -0.54 -3.72 0.00 0.00 177.10 173.11 1rr8 s LYS 540 N 1.58 3.01 -0.17 0.43 1.02 -1.26 -1.94 119.74 122.41 1rr8 s LYS 540 Ca -0.09 -1.95 -0.03 0.00 0.02 0.00 0.00 55.97 53.93 1rr8 s LYS 540 Cb -0.08 -4.22 -0.02 0.00 -0.52 0.00 0.00 37.83 32.99 1rr8 s LYS 540 CO -0.14 -1.28 -0.07 0.54 -0.92 0.00 0.00 175.35 173.48 1rr8 s VAL 541 N 1.11 3.43 -0.16 3.17 0.11 -0.93 -4.91 120.40 122.22 1rr8 s VAL 541 Ca 0.08 -0.50 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 1rr8 s VAL 541 Cb -0.24 -2.51 -0.01 0.00 -1.53 0.00 0.00 36.38 32.09 1rr8 s VAL 541 CO -0.01 0.47 1.13 -2.84 -3.33 0.00 0.00 175.10 170.53 1rr8 s PRO 542 N 0.80 4.29 0.07 1.54 0.02 -1.26 -1.71 135.00 138.76 1rr8 s PRO 542 Ca -0.02 1.51 0.01 0.00 0.02 0.00 0.00 61.00 62.52 1rr8 s PRO 542 Cb -0.15 -3.65 0.01 0.00 0.02 0.00 0.00 34.50 30.73 1rr8 s PRO 542 CO 0.01 -0.57 0.09 1.33 -0.33 0.00 0.00 177.00 177.53 1rr8 n VAL 543 N 5.10 0.00 -2.06 3.83 0.24 -0.74 -5.02 118.33 119.67 1rr8 n VAL 543 Ca 0.12 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.89 1rr8 n VAL 543 Cb 0.46 -0.81 0.07 0.00 -1.47 0.00 0.00 33.84 32.09 1rr8 n VAL 543 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1rr8 s GLU 544 N -2.32 2.29 0.12 7.34 0.41 -1.26 -4.83 118.70 120.44 1rr8 s GLU 544 Ca 0.07 0.02 -0.17 0.00 -0.41 0.00 0.00 54.97 54.48 1rr8 s GLU 544 Cb -0.01 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.24 1rr8 s GLU 544 CO 0.04 -1.28 1.63 -0.22 -0.49 0.00 0.00 175.26 174.94 1rr8 h LYS 545 N -0.73 0.53 0.00 1.61 3.64 -1.98 -3.17 116.57 116.46 1rr8 h LYS 545 Ca -0.45 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 1rr8 h LYS 545 Cb 1.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1rr8 h LYS 545 CO 0.63 0.56 -0.50 0.00 -2.27 0.00 0.00 179.45 177.87 1rr8 h ARG 546 N 0.40 0.00 -0.48 1.90 2.47 -1.98 -3.02 114.38 113.67 1rr8 h ARG 546 Ca 0.11 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.72 1rr8 h ARG 546 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1rr8 h ARG 546 CO -0.00 0.50 -0.13 0.28 0.56 0.00 0.00 179.97 181.18 1rr8 h VAL 547 N 0.00 1.27 -0.54 2.04 2.07 -1.95 -1.58 116.25 117.56 1rr8 h VAL 547 Ca -0.01 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 1rr8 h VAL 547 Cb 0.92 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1rr8 h VAL 547 CO 0.07 0.44 -0.04 0.15 0.02 0.00 0.00 177.57 178.20 1rr8 h PHE 548 N 0.78 1.08 -0.13 1.57 3.57 -1.53 -1.64 116.94 120.64 1rr8 h PHE 548 Ca 0.12 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 1rr8 h PHE 548 Cb 0.69 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1rr8 h PHE 548 CO 0.05 1.00 -0.25 0.87 -2.23 0.00 0.00 178.31 177.74 1rr8 h LYS 549 N 0.86 0.23 -0.16 1.11 1.79 -1.42 -2.82 116.57 116.17 1rr8 h LYS 549 Ca 0.15 -0.08 -0.17 0.00 -2.18 0.00 0.00 60.65 58.37 1rr8 h LYS 549 Cb 0.59 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1rr8 h LYS 549 CO 0.04 0.48 -0.58 -0.91 -1.08 0.00 0.00 179.45 177.39 1rr8 h ASN 550 N 0.21 0.78 0.37 0.86 2.35 -0.98 -3.06 115.58 116.12 1rr8 h ASN 550 Ca 0.03 -0.61 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 1rr8 h ASN 550 Cb 0.57 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1rr8 h ASN 550 CO 0.04 1.26 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.75 1rr8 h LEU 551 N 0.35 0.00 -0.55 1.61 3.38 -1.19 -1.96 115.31 116.96 1rr8 h LEU 551 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1rr8 h LEU 551 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1rr8 h LEU 551 CO 0.12 0.26 -0.46 1.56 0.09 0.00 0.00 178.44 180.01 1rr8 h GLN 552 N 0.00 0.65 0.00 1.13 4.20 -1.51 -2.20 115.11 117.38 1rr8 h GLN 552 Ca -0.00 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.27 1rr8 h GLN 552 Cb 0.51 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1rr8 h GLN 552 CO 0.03 0.97 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.75 1rr8 h LEU 553 N 0.52 0.00 0.00 1.46 4.07 -1.30 -3.02 115.31 117.04 1rr8 h LEU 553 Ca 0.03 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.89 1rr8 h LEU 553 Cb 1.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1rr8 h LEU 553 CO 0.09 0.35 -0.96 -0.26 -1.08 0.00 0.00 178.44 176.58 1rr8 h PHE 554 N 0.00 0.00 -0.00 1.13 0.04 -1.19 -3.31 116.94 113.61 1rr8 h PHE 554 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rr8 h PHE 554 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1rr8 h PHE 554 CO 0.00 0.40 -0.40 -1.33 -0.60 0.00 0.00 178.31 176.38 1rr8 n MET 555 N -2.96 0.10 -2.21 1.51 2.81 -0.85 -4.88 117.12 110.65 1rr8 n MET 555 Ca -0.03 -0.05 -0.38 0.00 -1.81 0.00 0.00 57.70 55.42 1rr8 n MET 555 Cb 0.73 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.73 1rr8 n MET 555 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1rr8 s GLU 556 N -2.94 3.94 -1.15 0.03 2.02 -1.15 -3.57 118.70 115.88 1rr8 s GLU 556 Ca 0.13 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.04 1rr8 s GLU 556 Cb 0.18 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1rr8 s GLU 556 CO 0.65 -0.44 0.00 0.27 0.02 0.00 0.00 175.26 175.76 1rr8 n ASN 557 N -0.06 -3.14 -4.47 -0.19 6.94 -1.26 -4.96 115.26 108.11 1rr8 n ASN 557 Ca 0.05 0.27 -0.30 0.00 -0.02 0.00 0.00 54.58 54.58 1rr8 n ASN 557 Cb 0.46 -2.93 -0.12 0.00 -2.36 0.00 0.00 39.78 34.83 1rr8 n ASN 557 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rr8 s LYS 558 N -3.43 1.93 0.41 -3.83 1.02 -1.23 -5.14 119.74 109.47 1rr8 s LYS 558 Ca 0.00 -1.08 -0.10 0.00 0.02 0.00 0.00 55.97 54.82 1rr8 s LYS 558 Cb 0.00 -2.15 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1rr8 s LYS 558 CO 0.00 0.51 0.77 -0.65 -0.92 0.00 0.00 175.35 175.06 1rr8 s GLN 559 N -1.75 3.74 0.53 1.68 -1.52 -1.26 -4.99 119.66 116.09 1rr8 s GLN 559 Ca 0.16 0.43 0.27 0.00 -1.95 0.00 0.00 55.36 54.26 1rr8 s GLN 559 Cb -0.11 -2.39 1.41 0.00 -0.22 0.00 0.00 33.01 31.71 1rr8 s GLN 559 CO 0.07 -0.06 1.98 -1.35 -0.25 0.00 0.00 175.29 175.68 1rr8 h PRO 560 N 1.12 0.00 0.00 2.91 0.11 -1.98 -2.22 132.00 131.94 1rr8 h PRO 560 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1rr8 h PRO 560 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rr8 h PRO 560 CO 0.64 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.31 1rr8 h GLU 561 N 0.00 0.00 -7.11 1.05 3.07 -1.99 -3.17 114.58 106.44 1rr8 h GLU 561 Ca 0.29 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.66 1rr8 h GLU 561 Cb 1.15 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 29.11 1rr8 h GLU 561 CO -0.00 0.05 0.40 -0.51 -1.40 0.00 0.00 179.01 177.54 1rr8 s ASP 562 N -6.08 5.94 0.17 1.42 1.11 -0.84 -4.90 116.67 113.50 1rr8 s ASP 562 Ca 0.05 2.00 -0.30 0.00 0.18 0.00 0.00 52.55 54.48 1rr8 s ASP 562 Cb 0.07 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.41 1rr8 s ASP 562 CO 0.64 -1.06 1.24 -1.81 1.18 0.00 0.00 175.17 175.36 1rr8 s ASP 563 N -2.09 7.02 0.05 0.27 -0.00 -1.26 -2.36 116.67 118.30 1rr8 s ASP 563 Ca 0.68 2.26 -0.28 0.00 -0.00 0.00 0.00 52.55 55.21 1rr8 s ASP 563 Cb -0.19 -2.60 -0.17 0.00 -0.00 0.00 0.00 42.92 39.95 1rr8 s ASP 563 CO 0.27 -0.44 1.46 0.25 -0.00 0.00 0.00 175.17 176.71 1rr8 h LEU 564 N 5.53 -0.48 -7.09 1.23 5.85 -1.26 -3.34 115.31 115.75 1rr8 h LEU 564 Ca -0.44 -0.06 -0.80 0.00 0.84 0.00 0.00 57.88 57.42 1rr8 h LEU 564 Cb 1.21 0.12 -0.26 0.00 0.37 0.00 0.00 40.66 42.11 1rr8 h LEU 564 CO 0.77 -0.23 0.84 0.49 -0.34 0.00 0.00 178.44 179.97 1rr8 n PHE 565 N -5.28 3.31 -1.51 1.25 3.72 -1.26 -4.83 117.46 112.86 1rr8 n PHE 565 Ca -0.11 -3.01 -0.30 0.00 -0.05 0.00 0.00 57.45 53.98 1rr8 n PHE 565 Cb 0.27 -1.50 0.10 0.00 -0.94 0.00 0.00 39.48 37.42 1rr8 n PHE 565 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1rr8 s ASP 566 N -0.43 4.29 0.00 4.37 -4.77 -1.25 -3.31 116.67 115.57 1rr8 s ASP 566 Ca 0.32 1.30 0.00 0.00 -3.30 0.00 0.00 52.55 50.87 1rr8 s ASP 566 Cb 0.01 -2.02 0.00 0.00 -1.09 0.00 0.00 42.92 39.82 1rr8 s ASP 566 CO 0.04 -2.10 0.00 0.54 0.70 0.00 0.00 175.17 174.35 1rr8 n ARG 567 N -3.51 -1.01 -3.76 2.11 1.74 -1.26 -4.95 116.66 106.02 1rr8 n ARG 567 Ca 0.07 0.25 -0.15 0.00 -0.77 0.00 0.00 57.85 57.25 1rr8 n ARG 567 Cb 0.56 -4.14 -0.16 0.00 -1.02 0.00 0.00 32.46 27.70 1rr8 n ARG 567 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rr8 s LEU 568 N 0.00 0.95 0.00 0.55 2.96 -1.21 -4.95 118.68 116.98 1rr8 s LEU 568 Ca 0.00 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1rr8 s LEU 568 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.67 1rr8 s LEU 568 CO 0.00 -0.14 0.09 -0.46 -1.32 0.00 0.00 176.35 174.52 1rr8 n ASN 569 N 4.28 0.61 0.15 3.68 2.04 -1.26 -4.92 115.26 119.83 1rr8 n ASN 569 Ca -0.26 -2.06 0.00 0.00 -0.44 0.00 0.00 54.58 51.82 1rr8 n ASN 569 Cb 0.50 0.60 0.25 0.00 -2.53 0.00 0.00 39.78 38.61 1rr8 n ASN 569 CO 0.00 0.00 0.00 0.71 -0.44 0.00 0.00 177.26 177.53 1rr8 h THR 570 N 1.39 1.36 -0.01 5.53 1.35 -1.92 -2.97 112.91 117.64 1rr8 h THR 570 Ca -0.14 -1.70 -0.14 0.00 -0.55 0.00 0.00 66.41 63.88 1rr8 h THR 570 Cb 0.59 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1rr8 h THR 570 CO 0.22 0.49 -0.64 1.23 -0.25 0.00 0.00 175.52 176.57 1rr8 h GLY 571 N 1.47 0.03 1.19 5.82 0.00 -1.98 -1.94 103.07 107.66 1rr8 h GLY 571 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 47.33 47.01 1rr8 h GLY 571 CO 0.07 0.04 -1.12 -2.22 0.00 0.00 0.00 176.54 173.30 1rr8 h ILE 572 N 0.02 1.29 -0.43 2.60 2.04 -1.96 -2.14 117.51 118.92 1rr8 h ILE 572 Ca -0.01 -2.35 -0.06 0.00 1.00 0.00 0.00 64.86 63.44 1rr8 h ILE 572 Cb 1.14 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 1rr8 h ILE 572 CO 0.09 0.72 0.04 0.25 0.00 0.00 0.00 178.15 179.25 1rr8 h LEU 573 N 0.29 0.71 -0.73 1.44 5.85 -1.53 -2.76 115.31 118.59 1rr8 h LEU 573 Ca -0.16 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1rr8 h LEU 573 Cb 1.79 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1rr8 h LEU 573 CO 0.22 0.81 -0.15 0.78 -0.34 0.00 0.00 178.44 179.76 1rr8 h ASN 574 N 0.59 0.00 0.64 1.25 2.35 -1.42 -2.03 115.58 116.96 1rr8 h ASN 574 Ca 0.13 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.70 1rr8 h ASN 574 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1rr8 h ASN 574 CO 0.01 0.15 -0.80 0.50 -1.65 0.00 0.00 177.43 175.64 1rr8 h LYS 575 N 0.00 0.11 0.12 0.81 1.63 -1.22 -2.68 116.57 115.33 1rr8 h LYS 575 Ca -0.00 -0.11 -0.28 0.00 -0.85 0.00 0.00 60.65 59.41 1rr8 h LYS 575 Cb 0.85 0.03 0.03 0.00 -0.60 0.00 0.00 32.23 32.54 1rr8 h LYS 575 CO 0.02 0.85 -1.15 1.25 -3.45 0.00 0.00 179.45 176.97 1rr8 h HIS 576 N 0.07 0.93 0.00 1.91 2.76 -1.32 -3.23 115.15 116.27 1rr8 h HIS 576 Ca -0.02 -0.59 -0.01 0.00 -2.20 0.00 0.00 60.37 57.55 1rr8 h HIS 576 Cb 1.39 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 1rr8 h HIS 576 CO 0.02 1.43 -0.04 -0.07 -1.30 0.00 0.00 177.93 177.97 1rr8 h LEU 577 N 0.17 0.00 0.00 0.26 3.38 -1.37 -1.57 115.31 116.18 1rr8 h LEU 577 Ca -0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1rr8 h LEU 577 Cb 1.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1rr8 h LEU 577 CO 0.22 0.04 -0.61 -0.61 0.09 0.00 0.00 178.44 177.56 1rr8 h GLN 578 N 0.00 0.00 0.00 1.13 5.75 -1.52 -2.82 115.11 117.65 1rr8 h GLN 578 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1rr8 h GLN 578 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1rr8 h GLN 578 CO 0.00 0.47 -0.23 -0.44 -2.65 0.00 0.00 178.83 175.99 1rr8 h ASP 579 N 0.00 0.00 0.00 -0.69 3.32 -1.31 -3.35 116.42 114.39 1rr8 h ASP 579 Ca -0.02 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1rr8 h ASP 579 Cb 1.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 1rr8 h ASP 579 CO 0.06 0.00 -0.78 -0.07 -1.72 0.00 0.00 179.24 176.74 1rr8 h LEU 580 N 0.00 0.00 -7.75 1.55 3.38 -1.51 -3.48 115.31 107.50 1rr8 h LEU 580 Ca 0.00 -0.50 -0.27 0.00 0.09 0.00 0.00 57.88 57.20 1rr8 h LEU 580 Cb 0.96 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.42 1rr8 h LEU 580 CO 0.00 1.20 -0.73 -0.32 0.09 0.00 0.00 178.44 178.68 1rr8 s MET 581 N -2.26 0.14 0.07 1.13 0.00 -1.07 -5.13 119.30 112.19 1rr8 s MET 581 Ca -0.22 -0.03 -0.31 0.00 0.00 0.00 0.00 55.69 55.13 1rr8 s MET 581 Cb 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 34.83 34.61 1rr8 s MET 581 CO 0.51 0.00 1.53 -1.21 0.00 0.00 0.00 175.02 175.86 1rr8 s GLU 582 N 0.15 4.24 -0.10 4.11 8.01 -1.26 -2.76 118.70 131.09 1rr8 s GLU 582 Ca -0.01 2.20 0.00 0.00 0.01 0.00 0.00 54.97 57.17 1rr8 s GLU 582 Cb -0.03 -3.48 0.00 0.00 -4.31 0.00 0.00 34.13 26.31 1rr8 s GLU 582 CO -0.00 -0.63 0.00 0.41 0.01 0.00 0.00 175.26 175.05 1rr8 n GLY 583 N 3.79 0.48 3.69 -1.39 0.00 -1.26 -5.03 105.19 105.47 1rr8 n GLY 583 Ca 0.14 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1rr8 n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rr8 s LEU 584 N -0.22 4.20 0.37 0.99 2.96 -1.11 -5.06 118.68 120.81 1rr8 s LEU 584 Ca 0.00 0.73 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1rr8 s LEU 584 Cb 0.00 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1rr8 s LEU 584 CO 0.00 -0.10 0.06 0.42 -1.32 0.00 0.00 176.35 175.41 1rr8 s THR 585 N 1.21 1.18 0.38 3.68 -4.23 -1.26 -3.85 115.64 112.74 1rr8 s THR 585 Ca 0.25 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.93 1rr8 s THR 585 Cb -0.15 -2.66 0.16 0.00 1.34 0.00 0.00 72.50 71.18 1rr8 s THR 585 CO 0.10 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.08 1rr8 h ALA 586 N 1.91 1.39 0.00 3.99 0.00 -1.94 -2.94 119.26 121.67 1rr8 h ALA 586 Ca -0.40 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rr8 h ALA 586 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rr8 h ALA 586 CO 0.69 0.35 0.00 0.36 0.00 0.00 0.00 179.25 180.65 1rr8 n LYS 587 N -3.99 0.09 0.22 0.00 2.85 -1.26 -2.87 118.16 113.19 1rr8 n LYS 587 Ca -0.02 0.17 0.09 0.00 -1.05 0.00 0.00 58.31 57.51 1rr8 n LYS 587 Cb 0.35 -1.62 0.44 0.00 -0.65 0.00 0.00 35.03 33.54 1rr8 n LYS 587 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1rr8 h VAL 588 N 0.00 0.62 -0.08 0.58 2.07 -1.94 -2.57 116.25 114.93 1rr8 h VAL 588 Ca 0.00 -1.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.21 1rr8 h VAL 588 Cb 0.47 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1rr8 h VAL 588 CO 0.00 0.25 -0.50 -0.26 0.02 0.00 0.00 177.57 177.08 1rr8 h PHE 589 N 0.00 0.26 -0.20 1.57 -1.00 -1.71 0.38 116.94 116.24 1rr8 h PHE 589 Ca -0.00 -0.08 -0.18 0.00 2.81 0.00 0.00 57.97 60.51 1rr8 h PHE 589 Cb 0.77 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.28 1rr8 h PHE 589 CO 0.00 0.67 -0.58 -0.09 -1.61 0.00 0.00 178.31 176.70 1rr8 h ARG 590 N 0.17 0.74 -0.41 1.51 2.43 -1.63 -0.81 114.38 116.38 1rr8 h ARG 590 Ca 0.01 -0.54 -0.11 0.00 -0.81 0.00 0.00 59.98 58.53 1rr8 h ARG 590 Cb 0.95 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1rr8 h ARG 590 CO 0.08 1.16 -0.18 1.15 -1.51 0.00 0.00 179.97 180.66 1rr8 h THR 591 N 0.46 1.28 0.32 0.20 2.02 -1.33 -1.94 112.91 113.92 1rr8 h THR 591 Ca -0.02 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1rr8 h THR 591 Cb 1.20 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1rr8 h THR 591 CO 0.13 0.44 -0.15 0.22 0.37 0.00 0.00 175.52 176.52 1rr8 h TYR 592 N 0.66 -0.40 -0.75 3.16 3.20 -0.83 -1.79 116.97 120.21 1rr8 h TYR 592 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1rr8 h TYR 592 Cb 0.73 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1rr8 h TYR 592 CO 0.06 -0.21 0.45 -0.91 -1.64 0.00 0.00 178.16 175.90 1rr8 h ASN 593 N -0.49 0.91 0.13 -2.11 -0.26 -1.16 -1.23 115.58 111.37 1rr8 h ASN 593 Ca -0.04 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1rr8 h ASN 593 Cb 0.37 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1rr8 h ASN 593 CO 0.07 0.71 -0.06 0.00 -1.06 0.00 0.00 177.43 177.09 1rr8 h ALA 594 N 1.24 -0.18 -0.71 -0.83 0.00 -1.33 -2.17 119.26 115.29 1rr8 h ALA 594 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1rr8 h ALA 594 Cb -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1rr8 h ALA 594 CO -0.05 -0.46 0.33 0.77 0.00 0.00 0.00 179.25 179.84 1rr8 h SER 595 N -0.45 0.94 0.55 0.00 0.02 -1.25 -2.51 113.55 110.86 1rr8 h SER 595 Ca -0.02 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 1rr8 h SER 595 Cb 0.36 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1rr8 h SER 595 CO 0.03 0.82 -0.55 -0.29 -1.14 0.00 0.00 176.83 175.69 1rr8 h ILE 596 N 0.99 1.40 -0.16 3.27 6.09 -1.26 -2.50 117.51 125.33 1rr8 h ILE 596 Ca 0.24 -1.90 -0.17 0.00 -1.37 0.00 0.00 64.86 61.66 1rr8 h ILE 596 Cb 0.14 2.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.45 1rr8 h ILE 596 CO -0.03 0.54 -0.60 0.74 -3.07 0.00 0.00 178.15 175.73 1rr8 h THR 597 N 0.00 1.33 -0.23 2.19 2.02 -1.19 -1.35 112.91 115.69 1rr8 h THR 597 Ca -0.01 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.26 1rr8 h THR 597 Cb 0.98 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1rr8 h THR 597 CO 0.07 0.58 -0.01 0.25 0.37 0.00 0.00 175.52 176.78 1rr8 h LEU 598 N 0.41 0.40 -0.23 2.58 5.85 -1.30 0.46 115.31 123.48 1rr8 h LEU 598 Ca -0.00 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1rr8 h LEU 598 Cb 1.16 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1rr8 h LEU 598 CO 0.11 0.63 0.13 -0.61 -0.34 0.00 0.00 178.44 178.36 1rr8 h GLN 599 N 0.17 0.26 0.16 1.25 4.15 -1.38 -0.27 115.11 119.46 1rr8 h GLN 599 Ca 0.06 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1rr8 h GLN 599 Cb 0.43 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1rr8 h GLN 599 CO 0.01 0.18 -0.08 0.37 -1.93 0.00 0.00 178.83 177.38 1rr8 h GLN 600 N 0.27 -0.21 0.00 1.69 4.15 -1.18 -2.61 115.11 117.23 1rr8 h GLN 600 Ca 0.09 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 1rr8 h GLN 600 Cb -0.00 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1rr8 h GLN 600 CO -0.04 -0.13 -0.38 1.96 -1.93 0.00 0.00 178.83 178.31 1rr8 h GLN 601 N -0.23 0.00 -0.20 1.69 1.08 -0.80 -1.81 115.11 114.85 1rr8 h GLN 601 Ca -0.02 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.01 1rr8 h GLN 601 Cb 0.18 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1rr8 h GLN 601 CO 0.04 0.38 -0.56 -0.07 -0.95 0.00 0.00 178.83 177.66 1rr8 h LEU 602 N 0.00 0.68 -0.47 1.46 3.38 -0.92 0.36 115.31 119.80 1rr8 h LEU 602 Ca -0.00 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1rr8 h LEU 602 Cb 0.77 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1rr8 h LEU 602 CO 0.05 1.10 -0.28 0.11 0.09 0.00 0.00 178.44 179.51 1rr8 h LYS 603 N 0.46 0.97 0.00 1.13 1.57 -1.20 -2.67 116.57 116.83 1rr8 h LYS 603 Ca 0.01 -0.45 -0.13 0.00 -1.87 0.00 0.00 60.65 58.21 1rr8 h LYS 603 Cb 1.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1rr8 h LYS 603 CO 0.11 1.11 -0.64 0.93 -0.57 0.00 0.00 179.45 180.40 1rr8 h GLU 604 N 0.82 0.00 0.00 3.15 5.08 -1.16 -3.35 114.58 119.11 1rr8 h GLU 604 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1rr8 h GLU 604 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1rr8 h GLU 604 CO 0.08 0.64 -0.91 1.28 -1.00 0.00 0.00 179.01 179.10 1rr8 n LEU 605 N -3.36 0.76 -4.71 1.33 4.77 0.10 -4.94 117.00 110.95 1rr8 n LEU 605 Ca 0.01 -0.46 -0.36 0.00 -0.03 0.00 0.00 56.01 55.16 1rr8 n LEU 605 Cb 0.75 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.76 1rr8 n LEU 605 CO 0.42 0.19 -0.05 -0.89 -1.33 0.00 0.00 177.39 175.73 1rr8 s THR 606 N -2.70 5.31 -0.00 -5.08 2.01 -1.01 -4.85 115.64 109.32 1rr8 s THR 606 Ca 0.06 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.58 1rr8 s THR 606 Cb 0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1rr8 s THR 606 CO 0.72 0.37 -0.19 0.00 -0.69 0.00 0.00 174.62 174.82 1rr8 s ALA 607 N 0.69 2.49 0.52 7.40 0.00 -1.26 -4.93 121.76 126.67 1rr8 s ALA 607 Ca 0.14 -1.11 0.19 0.00 0.00 0.00 0.00 51.96 51.18 1rr8 s ALA 607 Cb -0.13 -0.75 1.29 0.00 0.00 0.00 0.00 23.12 23.54 1rr8 s ALA 607 CO 0.04 0.55 2.09 -1.35 0.00 0.00 0.00 175.76 177.09 1rr8 h PRO 608 N 5.04 0.03 -0.00 0.00 0.11 -2.00 -3.00 132.00 132.18 1rr8 h PRO 608 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rr8 h PRO 608 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1rr8 h PRO 608 CO 0.48 0.02 -0.05 -0.25 -0.21 0.00 0.00 178.00 177.99 1rr8 n ASP 609 N -4.48 0.06 -4.85 -2.05 8.00 -1.26 -4.91 116.55 107.05 1rr8 n ASP 609 Ca 0.02 0.31 -0.31 0.00 0.71 0.00 0.00 54.79 55.51 1rr8 n ASP 609 Cb 0.28 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1rr8 n ASP 609 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rr8 s GLU 610 N -2.92 3.85 0.64 -1.24 0.41 -1.14 -5.09 118.70 113.22 1rr8 s GLU 610 Ca 0.16 0.82 -0.05 0.00 -0.41 0.00 0.00 54.97 55.49 1rr8 s GLU 610 Cb 0.19 -2.18 0.04 0.00 -1.78 0.00 0.00 34.13 30.40 1rr8 s GLU 610 CO 0.53 -0.27 0.93 0.54 -0.49 0.00 0.00 175.26 176.50 1rr8 s ASN 611 N -3.29 5.10 0.21 -0.19 2.20 -1.26 -4.90 114.94 112.81 1rr8 s ASN 611 Ca 0.57 0.41 -0.09 0.00 -0.94 0.00 0.00 52.86 52.80 1rr8 s ASN 611 Cb -0.10 -1.19 0.26 0.00 -2.00 0.00 0.00 41.25 38.21 1rr8 s ASN 611 CO 0.35 -1.37 1.78 0.40 -2.94 0.00 0.00 177.10 175.33 1rr8 h ILE 612 N -0.34 0.89 0.00 0.54 1.08 -1.96 -0.85 117.51 116.87 1rr8 h ILE 612 Ca -0.44 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 63.78 1rr8 h ILE 612 Cb 1.30 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1rr8 h ILE 612 CO 0.59 0.10 -0.27 -0.65 -0.69 0.00 0.00 178.15 177.23 1rr8 h PRO 613 N 0.57 0.00 0.00 2.37 0.11 -2.01 -2.92 132.00 130.12 1rr8 h PRO 613 Ca 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 1rr8 h PRO 613 Cb 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1rr8 h PRO 613 CO -0.23 0.27 -0.20 0.00 -0.21 0.00 0.00 178.00 177.63 1rr8 h ALA 614 N 1.73 0.89 0.00 -0.75 0.00 -1.79 -3.20 119.26 116.15 1rr8 h ALA 614 Ca -0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1rr8 h ALA 614 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1rr8 h ALA 614 CO 0.03 0.13 -0.77 0.87 0.00 0.00 0.00 179.25 179.51 1rr8 h LYS 615 N 0.00 0.00 -0.08 0.00 1.57 -0.98 -3.12 116.57 113.97 1rr8 h LYS 615 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1rr8 h LYS 615 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1rr8 h LYS 615 CO 0.01 0.77 -0.46 0.82 -0.57 0.00 0.00 179.45 180.03 1rr8 h ILE 616 N 0.00 1.33 -0.33 1.86 2.04 -1.53 -1.77 117.51 119.11 1rr8 h ILE 616 Ca -0.01 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 1rr8 h ILE 616 Cb 1.52 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1rr8 h ILE 616 CO 0.10 0.48 0.09 0.25 0.00 0.00 0.00 178.15 179.07 1rr8 h LEU 617 N 0.15 0.49 -1.13 1.44 6.46 -1.59 -1.57 115.31 119.56 1rr8 h LEU 617 Ca 0.01 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1rr8 h LEU 617 Cb 0.87 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1rr8 h LEU 617 CO 0.07 0.58 -0.07 0.28 -0.62 0.00 0.00 178.44 178.67 1rr8 h SER 618 N 0.37 0.50 -0.17 1.25 0.02 -1.42 -0.08 113.55 114.03 1rr8 h SER 618 Ca 0.10 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1rr8 h SER 618 Cb 0.27 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1rr8 h SER 618 CO -0.00 0.62 -0.12 0.22 -1.14 0.00 0.00 176.83 176.41 1rr8 h TYR 619 N 0.49 0.44 0.00 3.45 3.20 -1.06 -2.21 116.97 121.29 1rr8 h TYR 619 Ca 0.10 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1rr8 h TYR 619 Cb 0.43 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1rr8 h TYR 619 CO 0.01 0.73 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.28 1rr8 h ASN 620 N 0.03 0.00 1.21 -2.11 -0.26 -1.05 -1.06 115.58 112.35 1rr8 h ASN 620 Ca 0.03 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.61 1rr8 h ASN 620 Cb 0.64 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 1rr8 h ASN 620 CO 0.03 0.07 -0.79 0.03 -1.06 0.00 0.00 177.43 175.71 1rr8 h ARG 621 N 0.00 0.00 0.13 0.81 2.47 -0.83 -1.61 114.38 115.35 1rr8 h ARG 621 Ca -0.00 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.43 1rr8 h ARG 621 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1rr8 h ARG 621 CO 0.01 0.74 -1.33 0.00 0.56 0.00 0.00 179.97 179.95 1rr8 h ALA 622 N 1.24 0.12 -0.03 0.04 0.00 -1.05 -3.20 119.26 116.39 1rr8 h ALA 622 Ca -0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 54.91 53.84 1rr8 h ALA 622 Cb 1.59 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1rr8 h ALA 622 CO 0.10 1.00 -0.49 -0.97 0.00 0.00 0.00 179.25 178.89 1rr8 h ASN 623 N 0.08 0.08 -0.57 0.00 -0.00 -1.18 -2.96 115.58 111.03 1rr8 h ASN 623 Ca -0.17 -0.04 -0.04 0.00 -0.00 0.00 0.00 56.30 56.06 1rr8 h ASN 623 Cb 2.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 40.27 1rr8 h ASN 623 CO 0.20 0.56 0.21 -0.09 -0.00 0.00 0.00 177.43 178.31 1rr8 h ARG 624 N 0.06 0.86 -0.14 6.67 2.43 -1.30 -2.24 114.38 120.72 1rr8 h ARG 624 Ca 0.00 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1rr8 h ARG 624 Cb 0.89 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1rr8 h ARG 624 CO 0.07 0.75 -0.16 0.00 -1.51 0.00 0.00 179.97 179.12 1rr8 h ALA 625 N 1.07 1.48 -0.15 2.80 0.00 -1.51 -1.35 119.26 121.60 1rr8 h ALA 625 Ca 0.19 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1rr8 h ALA 625 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rr8 h ALA 625 CO -0.01 0.37 -0.65 0.28 0.00 0.00 0.00 179.25 179.23 1rr8 h VAL 626 N 0.21 1.33 0.00 0.00 2.07 -1.43 -2.66 116.25 115.77 1rr8 h VAL 626 Ca 0.04 -1.94 -0.11 0.00 0.82 0.00 0.00 66.70 65.50 1rr8 h VAL 626 Cb 0.41 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1rr8 h VAL 626 CO 0.03 0.60 -0.54 0.00 0.02 0.00 0.00 177.57 177.67 1rr8 h ALA 627 N 0.87 0.87 -0.05 1.67 0.00 -0.78 -1.90 119.26 119.94 1rr8 h ALA 627 Ca -0.02 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 1rr8 h ALA 627 Cb 1.22 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1rr8 h ALA 627 CO 0.12 0.68 -0.91 0.82 0.00 0.00 0.00 179.25 179.96 1rr8 h ILE 628 N 0.00 1.32 -0.36 0.00 2.04 -1.21 -0.27 117.51 119.03 1rr8 h ILE 628 Ca -0.01 -2.21 -0.10 0.00 1.00 0.00 0.00 64.86 63.55 1rr8 h ILE 628 Cb 1.12 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 1rr8 h ILE 628 CO 0.07 0.68 -0.17 0.25 0.00 0.00 0.00 178.15 178.98 1rr8 h LEU 629 N 0.38 0.77 -0.18 1.44 6.46 -1.43 -3.06 115.31 119.70 1rr8 h LEU 629 Ca -0.08 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1rr8 h LEU 629 Cb 1.54 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 1rr8 h LEU 629 CO 0.17 1.01 -0.05 0.00 -0.62 0.00 0.00 178.44 178.94 1rr8 n ASN 631 N -0.97 -5.01 -4.47 0.00 4.05 -0.71 -4.96 115.26 103.19 1rr8 n ASN 631 Ca 0.17 -0.61 -0.43 0.00 0.45 0.00 0.00 54.58 54.15 1rr8 n ASN 631 Cb 0.24 -4.79 -0.03 0.00 1.23 0.00 0.00 39.78 36.43 1rr8 n ASN 631 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1rr8 s HIS 632 N -3.35 2.81 0.38 1.20 3.76 -0.19 -5.01 115.29 114.89 1rr8 s HIS 632 Ca 0.46 -0.88 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1rr8 s HIS 632 Cb -0.21 -4.35 -0.05 0.00 1.11 0.00 0.00 32.58 29.08 1rr8 s HIS 632 CO 0.75 -1.64 0.69 -0.65 -0.85 0.00 0.00 174.74 173.04 1rr8 s GLN 633 N 3.70 3.65 -0.14 1.40 -0.21 -1.26 -1.12 119.66 125.68 1rr8 s GLN 633 Ca 0.29 0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.82 1rr8 s GLN 633 Cb -0.10 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.47 1rr8 s GLN 633 CO 0.01 0.01 0.07 -1.14 -2.12 0.00 0.00 175.29 172.12 1rr8 s GLN 634 N -4.03 0.18 0.37 2.91 0.74 -0.78 -4.51 119.66 114.54 1rr8 s GLN 634 Ca 0.47 -0.03 -0.28 0.00 0.05 0.00 0.00 55.36 55.57 1rr8 s GLN 634 Cb -0.10 -1.54 -0.11 0.00 1.10 0.00 0.00 33.01 32.36 1rr8 s GLN 634 CO 0.35 -0.57 1.50 0.00 -0.55 0.00 0.00 175.29 176.02 1rr8 n ALA 635 N 5.23 2.42 -1.60 1.58 0.00 -1.26 -4.16 120.51 122.72 1rr8 n ALA 635 Ca -0.06 0.34 -0.50 0.00 0.00 0.00 0.00 53.44 53.22 1rr8 n ALA 635 Cb 0.49 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 1rr8 n ALA 635 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1rr8 n PRO 636 N 0.54 1.32 0.28 0.00 -0.02 -1.26 -4.97 135.00 130.90 1rr8 n PRO 636 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1rr8 n PRO 636 Cb 0.39 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1rr8 n PRO 636 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rr8 n ARG 708 N 2.40 0.03 0.07 -0.52 1.74 -1.26 -5.16 116.66 113.96 1rr8 n ARG 708 Ca 0.17 0.81 0.05 0.00 -0.77 0.00 0.00 57.85 58.11 1rr8 n ARG 708 Cb 0.22 -2.35 -0.04 0.00 -1.02 0.00 0.00 32.46 29.28 1rr8 n ARG 708 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rr8 h GLU 709 N 0.00 0.00 0.00 5.56 4.39 -2.06 -3.25 114.58 119.23 1rr8 h GLU 709 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1rr8 h GLU 709 Cb 1.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 1rr8 h GLU 709 CO 0.00 0.17 -0.02 0.93 -1.16 0.00 0.00 179.01 178.94 1rr8 h GLU 710 N 0.00 0.00 -1.07 2.33 5.08 -2.05 -3.33 114.58 115.53 1rr8 h GLU 710 Ca -0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1rr8 h GLU 710 Cb 1.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1rr8 h GLU 710 CO 0.03 0.58 0.13 -1.71 -1.00 0.00 0.00 179.01 177.03 1rr8 n ASN 711 N -4.68 3.38 -0.05 1.42 5.15 -1.26 -4.26 115.26 114.96 1rr8 n ASN 711 Ca -0.06 -2.33 -0.13 0.00 -0.60 0.00 0.00 54.58 51.45 1rr8 n ASN 711 Cb 0.28 -0.61 -0.07 0.00 -0.53 0.00 0.00 39.78 38.84 1rr8 n ASN 711 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1rr8 h LYS 712 N 0.28 0.35 -0.25 1.20 3.64 -1.67 -3.33 116.57 116.79 1rr8 h LYS 712 Ca 0.12 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1rr8 h LYS 712 Cb 1.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1rr8 h LYS 712 CO 0.21 0.77 0.00 1.04 -2.27 0.00 0.00 179.45 179.20 1rr8 n GLN 713 N -4.54 2.89 -4.53 1.90 6.02 -1.26 -4.44 117.38 113.43 1rr8 n GLN 713 Ca -0.06 -1.95 -0.32 0.00 -0.01 0.00 0.00 57.00 54.66 1rr8 n GLN 713 Cb 0.38 -1.23 -0.11 0.00 1.02 0.00 0.00 30.24 30.30 1rr8 n GLN 713 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rr8 s ILE 714 N -1.10 3.43 -0.19 5.09 -1.09 -1.25 -1.87 121.20 124.22 1rr8 s ILE 714 Ca 0.18 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1rr8 s ILE 714 Cb 0.10 -2.48 0.02 0.00 -1.58 0.00 0.00 42.46 38.52 1rr8 s ILE 714 CO 0.11 0.39 -0.17 0.00 -1.23 0.00 0.00 174.94 174.05 1rr8 s ALA 715 N -0.97 2.42 -0.14 9.38 0.00 -0.28 -4.57 121.76 127.60 1rr8 s ALA 715 Ca 0.16 -1.23 0.16 0.00 0.00 0.00 0.00 51.96 51.05 1rr8 s ALA 715 Cb -0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1rr8 s ALA 715 CO 0.07 -0.40 1.16 -0.07 0.00 0.00 0.00 175.76 176.51 1rr8 h LEU 716 N 7.96 0.00 -0.25 0.00 3.38 -1.92 -3.41 115.31 121.08 1rr8 h LEU 716 Ca -0.44 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.59 1rr8 h LEU 716 Cb 1.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1rr8 h LEU 716 CO 0.63 0.51 -0.31 1.23 0.09 0.00 0.00 178.44 180.59 1rr8 h GLY 717 N 3.61 -0.34 0.57 0.83 0.00 -1.97 -2.40 103.07 103.36 1rr8 h GLY 717 Ca -0.07 0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.71 1rr8 h GLY 717 CO 0.05 -0.21 0.08 -0.84 0.00 0.00 0.00 176.54 175.63 1rr8 h THR 718 N -0.32 0.82 -0.18 4.70 2.02 -1.99 -2.58 112.91 115.38 1rr8 h THR 718 Ca 0.13 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1rr8 h THR 718 Cb 0.53 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1rr8 h THR 718 CO -0.43 0.04 -0.15 0.77 0.37 0.00 0.00 175.52 176.12 1rr8 h SER 719 N 0.21 0.45 -0.31 4.18 4.64 -1.84 -0.14 113.55 120.74 1rr8 h SER 719 Ca 0.18 -0.46 0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1rr8 h SER 719 Cb 0.20 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1rr8 h SER 719 CO -0.22 0.81 0.36 0.50 -0.87 0.00 0.00 176.83 177.41 1rr8 h LYS 720 N 0.08 0.00 0.00 4.77 3.64 -1.27 -1.65 116.57 122.14 1rr8 h LYS 720 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rr8 h LYS 720 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1rr8 h LYS 720 CO 0.04 0.00 -1.14 1.28 -2.27 0.00 0.00 179.45 177.36 1rr8 n LEU 721 N -3.67 0.05 -0.12 5.20 4.32 -0.99 -4.64 117.00 117.16 1rr8 n LEU 721 Ca 0.05 -0.08 0.07 0.00 -0.02 0.00 0.00 56.01 56.03 1rr8 n LEU 721 Cb 0.51 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.41 1rr8 n LEU 721 CO 0.26 0.01 0.50 0.59 -1.22 0.00 0.00 177.39 177.53 1rr8 n ASN 722 N -1.63 1.86 -3.74 -1.43 3.02 -0.07 -5.10 115.26 108.17 1rr8 n ASN 722 Ca -0.01 -2.68 -0.53 0.00 -0.03 0.00 0.00 54.58 51.33 1rr8 n ASN 722 Cb 0.16 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.94 1rr8 n ASN 722 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rr8 n LEU 724 N -1.02 0.91 -4.63 3.41 4.77 -0.66 -5.03 117.00 114.75 1rr8 n LEU 724 Ca 0.11 0.94 -0.50 0.00 -0.03 0.00 0.00 56.01 56.53 1rr8 n LEU 724 Cb 0.58 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1rr8 n LEU 724 CO 0.01 -0.70 1.58 -0.67 -1.33 0.00 0.00 177.39 176.27 1rr8 n ASP 725 N 3.06 3.00 0.32 -1.43 -0.08 -1.26 -4.82 116.55 115.34 1rr8 n ASP 725 Ca 0.24 0.79 0.21 0.00 -1.51 0.00 0.00 54.79 54.51 1rr8 n ASP 725 Cb -0.04 -1.33 1.08 0.00 2.34 0.00 0.00 41.12 43.17 1rr8 n ASP 725 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rr8 h PRO 726 N 10.25 0.00 0.00 -0.67 0.13 -1.97 -2.64 132.00 137.09 1rr8 h PRO 726 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1rr8 h PRO 726 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1rr8 h PRO 726 CO 0.97 0.01 -0.19 0.00 -0.23 0.00 0.00 178.00 178.56 1rr8 h ARG 727 N 0.00 0.00 -0.45 0.86 3.08 -1.89 -1.31 114.38 114.67 1rr8 h ARG 727 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1rr8 h ARG 727 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1rr8 h ARG 727 CO 0.00 0.19 -0.11 0.82 -1.07 0.00 0.00 179.97 179.80 1rr8 h ILE 728 N 0.00 1.26 0.02 2.04 2.04 -1.82 -0.21 117.51 120.83 1rr8 h ILE 728 Ca -0.00 -1.18 -0.25 0.00 1.00 0.00 0.00 64.86 64.43 1rr8 h ILE 728 Cb 0.50 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1rr8 h ILE 728 CO 0.02 0.41 -1.01 0.74 0.00 0.00 0.00 178.15 178.31 1rr8 h THR 729 N 0.73 1.36 -0.18 -0.27 2.02 -1.53 -2.04 112.91 113.00 1rr8 h THR 729 Ca 0.12 -2.42 -0.13 0.00 0.77 0.00 0.00 66.41 64.75 1rr8 h THR 729 Cb 0.60 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1rr8 h THR 729 CO 0.04 0.73 -0.44 0.58 0.37 0.00 0.00 175.52 176.80 1rr8 h VAL 730 N 0.28 1.31 -0.29 3.16 2.07 -1.02 -0.23 116.25 121.52 1rr8 h VAL 730 Ca -0.11 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.74 1rr8 h VAL 730 Cb 1.66 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1rr8 h VAL 730 CO 0.18 0.50 -0.07 0.00 0.02 0.00 0.00 177.57 178.21 1rr8 h ALA 731 N 1.17 0.39 -0.34 1.67 0.00 -1.04 -1.97 119.26 119.14 1rr8 h ALA 731 Ca 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rr8 h ALA 731 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1rr8 h ALA 731 CO 0.08 0.21 0.20 2.35 0.00 0.00 0.00 179.25 182.09 1rr8 h TRP 732 N 0.31 0.45 -0.51 0.00 7.01 -1.10 -2.20 115.95 119.92 1rr8 h TRP 732 Ca 0.07 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.00 1rr8 h TRP 732 Cb 0.54 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1rr8 h TRP 732 CO 0.05 0.34 0.05 0.00 -2.79 0.00 0.00 178.44 176.09 1rr8 h LYS 734 N 0.78 0.00 0.11 0.00 1.57 -1.20 -1.74 116.57 116.08 1rr8 h LYS 734 Ca 0.16 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.75 1rr8 h LYS 734 Cb 0.40 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.73 1rr8 h LYS 734 CO 0.01 0.15 -0.80 -0.22 -0.57 0.00 0.00 179.45 178.03 1rr8 h LYS 735 N 0.00 0.35 -0.16 3.15 3.64 -1.08 -3.36 116.57 119.12 1rr8 h LYS 735 Ca -0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1rr8 h LYS 735 Cb 1.05 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1rr8 h LYS 735 CO 0.02 1.22 0.00 0.91 -2.27 0.00 0.00 179.45 179.33 1rr8 n TRP 736 N -4.12 0.18 -1.57 1.91 7.02 -0.76 -4.96 117.44 115.13 1rr8 n TRP 736 Ca -0.13 -0.09 -0.07 0.00 -1.02 0.00 0.00 57.50 56.18 1rr8 n TRP 736 Cb 0.80 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.67 1rr8 n TRP 736 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rr8 n GLY 737 N 1.32 0.61 3.59 6.99 0.00 -0.93 -4.99 105.19 111.79 1rr8 n GLY 737 Ca 0.17 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1rr8 n GLY 737 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rr8 s VAL 738 N -2.31 5.06 0.26 1.61 1.01 -0.70 -5.05 120.40 120.28 1rr8 s VAL 738 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 1rr8 s VAL 738 Cb 0.00 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1rr8 s VAL 738 CO 0.00 -0.01 1.31 -2.16 0.00 0.00 0.00 175.10 174.23 1rr8 s PRO 739 N 2.32 4.38 0.62 2.72 0.04 -1.26 -4.51 135.00 139.32 1rr8 s PRO 739 Ca 0.20 2.12 0.26 0.00 0.04 0.00 0.00 61.00 63.62 1rr8 s PRO 739 Cb -0.16 -3.14 1.35 0.00 0.04 0.00 0.00 34.50 32.59 1rr8 s PRO 739 CO 0.11 -0.21 1.77 -0.84 0.04 0.00 0.00 177.00 177.86 1rr8 h ILE 740 N 3.42 0.17 0.00 0.56 -0.00 -1.94 -1.37 117.51 118.34 1rr8 h ILE 740 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.40 1rr8 h ILE 740 Cb 1.22 0.52 0.00 0.00 -0.00 0.00 0.00 36.82 38.56 1rr8 h ILE 740 CO 0.72 0.00 0.00 1.05 -0.00 0.00 0.00 178.15 179.92 1rr8 h GLU 741 N 0.00 0.00 0.00 0.16 9.09 -1.91 0.26 114.58 122.17 1rr8 h GLU 741 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.56 1rr8 h GLU 741 Cb 1.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1rr8 h GLU 741 CO -0.00 0.00 -0.03 0.87 0.05 0.00 0.00 179.01 179.90 1rr8 h LYS 742 N 0.00 0.00 0.00 1.06 1.79 -1.62 -3.38 116.57 114.42 1rr8 h LYS 742 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1rr8 h LYS 742 Cb 0.50 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1rr8 h LYS 742 CO 0.00 0.03 -1.45 -0.89 -1.08 0.00 0.00 179.45 176.06 1rr8 n ILE 743 N -3.11 1.35 -3.94 1.86 2.08 -0.93 -5.00 119.36 111.67 1rr8 n ILE 743 Ca 0.04 -0.03 -0.35 0.00 0.56 0.00 0.00 62.75 62.97 1rr8 n ILE 743 Cb 0.54 -2.02 -0.09 0.00 -0.75 0.00 0.00 39.64 37.31 1rr8 n ILE 743 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1rr8 s TYR 744 N -2.59 3.32 0.74 1.39 2.02 0.86 -5.11 117.35 117.97 1rr8 s TYR 744 Ca -0.27 0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.50 1rr8 s TYR 744 Cb 0.07 -2.07 0.17 0.00 -0.40 0.00 0.00 41.96 39.73 1rr8 s TYR 744 CO 0.37 0.27 1.00 0.27 -1.57 0.00 0.00 175.55 175.88 1rr8 n ASN 745 N 3.29 0.13 -0.11 2.29 0.23 -1.26 -4.15 115.26 115.68 1rr8 n ASN 745 Ca -0.17 -1.39 -0.09 0.00 -0.53 0.00 0.00 54.58 52.40 1rr8 n ASN 745 Cb 0.52 -0.76 -0.03 0.00 -2.08 0.00 0.00 39.78 37.44 1rr8 n ASN 745 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1rr8 h LYS 746 N 0.00 -0.29 -0.48 -3.83 3.64 -1.99 -0.58 116.57 113.04 1rr8 h LYS 746 Ca -0.32 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1rr8 h LYS 746 Cb 0.91 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1rr8 h LYS 746 CO 0.23 -0.19 -0.15 0.00 -2.27 0.00 0.00 179.45 177.07 1rr8 h THR 747 N -0.30 1.27 -0.14 1.00 1.03 -2.01 -3.05 112.91 110.71 1rr8 h THR 747 Ca 0.15 -1.28 -0.13 0.00 -0.01 0.00 0.00 66.41 65.14 1rr8 h THR 747 Cb 0.56 1.05 -0.01 0.00 -1.07 0.00 0.00 68.15 68.68 1rr8 h THR 747 CO -0.53 0.44 -0.46 1.56 -0.01 0.00 0.00 175.52 176.52 1rr8 h GLN 748 N 0.81 0.36 0.00 0.00 4.20 -1.87 -2.69 115.11 115.92 1rr8 h GLN 748 Ca 0.12 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1rr8 h GLN 748 Cb 0.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1rr8 h GLN 748 CO 0.05 0.75 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.64 1rr8 h ARG 749 N 0.29 0.00 0.13 1.46 2.43 -1.01 -0.60 114.38 117.08 1rr8 h ARG 749 Ca 0.02 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.90 1rr8 h ARG 749 Cb 0.93 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1rr8 h ARG 749 CO 0.08 0.23 -1.39 0.93 -1.51 0.00 0.00 179.97 178.30 1rr8 h GLU 750 N 0.00 0.27 -0.26 0.20 5.08 -1.41 -2.70 114.58 115.75 1rr8 h GLU 750 Ca -0.00 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 1rr8 h GLU 750 Cb 0.52 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1rr8 h GLU 750 CO 0.03 1.17 -0.54 -0.22 -1.00 0.00 0.00 179.01 178.45 1rr8 h LYS 751 N 0.07 0.79 -0.62 2.33 3.64 -1.15 -3.22 116.57 118.41 1rr8 h LYS 751 Ca -0.19 -0.49 -0.12 0.00 -1.27 0.00 0.00 60.65 58.58 1rr8 h LYS 751 Cb 2.00 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.81 1rr8 h LYS 751 CO 0.19 1.12 0.14 1.19 -2.27 0.00 0.00 179.45 179.82 1rr8 n PHE 752 N -3.99 2.13 -0.28 1.91 3.72 -0.26 -4.66 117.46 116.03 1rr8 n PHE 752 Ca -0.04 -1.03 0.09 0.00 -0.05 0.00 0.00 57.45 56.42 1rr8 n PHE 752 Cb 0.62 -0.59 0.32 0.00 -0.94 0.00 0.00 39.48 38.89 1rr8 n PHE 752 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rr8 h ALA 753 N 2.97 1.69 -0.93 4.37 0.00 -1.48 -1.93 119.26 123.95 1rr8 h ALA 753 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1rr8 h ALA 753 Cb 2.10 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 1rr8 h ALA 753 CO 0.59 0.11 0.61 0.11 0.00 0.00 0.00 179.25 180.67 1rr8 h TRP 754 N 0.82 1.17 -0.11 0.00 5.08 -1.87 -1.87 115.95 119.18 1rr8 h TRP 754 Ca 0.42 0.03 -0.12 0.00 1.08 0.00 0.00 58.89 60.30 1rr8 h TRP 754 Cb 0.49 -0.39 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1rr8 h TRP 754 CO -0.00 0.74 -0.39 0.00 -1.28 0.00 0.00 178.44 177.51 1rr8 h ALA 755 N 1.34 0.19 -0.25 0.11 0.00 -1.57 -2.15 119.26 116.93 1rr8 h ALA 755 Ca 0.34 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1rr8 h ALA 755 Cb -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rr8 h ALA 755 CO -0.07 0.29 0.02 0.82 0.00 0.00 0.00 179.25 180.31 1rr8 h ILE 756 N 0.04 1.15 0.00 0.00 2.04 -1.20 -3.29 117.51 116.24 1rr8 h ILE 756 Ca -0.02 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1rr8 h ILE 756 Cb 1.02 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1rr8 h ILE 756 CO 0.08 0.19 -0.00 -0.78 0.00 0.00 0.00 178.15 177.64 1rr8 h ASP 757 N 0.37 0.00 -2.58 1.72 1.82 -1.39 -3.43 116.42 112.94 1rr8 h ASP 757 Ca 0.09 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.10 1rr8 h ASP 757 Cb 0.21 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.08 1rr8 h ASP 757 CO 0.00 0.02 0.63 -0.32 -1.61 0.00 0.00 179.24 177.96 1rr8 s MET 758 N -1.03 3.17 0.00 0.28 0.00 -0.81 -4.89 119.30 116.02 1rr8 s MET 758 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 55.69 54.80 1rr8 s MET 758 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 34.83 30.51 1rr8 s MET 758 CO 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 175.02 173.18 1rr8 n ALA 759 N 7.74 0.00 -3.15 4.11 0.00 -1.24 -4.36 120.51 123.61 1rr8 n ALA 759 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1rr8 n ALA 759 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 1rr8 n ALA 759 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rr8 n ASP 760 N 0.00 1.03 0.20 0.00 3.85 -1.26 -4.97 116.55 115.40 1rr8 n ASP 760 Ca 0.00 -1.65 0.12 0.00 -0.71 0.00 0.00 54.79 52.55 1rr8 n ASP 760 Cb 0.00 -0.14 0.19 0.00 -1.35 0.00 0.00 41.12 39.82 1rr8 n ASP 760 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1rr8 h GLU 761 N 0.00 0.00 -0.70 0.11 5.08 -1.88 -3.31 114.58 113.88 1rr8 h GLU 761 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1rr8 h GLU 761 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1rr8 h GLU 761 CO 0.17 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.93 1rr8 n ASP 762 N -2.98 3.44 -4.72 1.42 8.00 -1.26 -4.75 116.55 115.71 1rr8 n ASP 762 Ca 0.04 -2.43 -0.42 0.00 0.71 0.00 0.00 54.79 52.69 1rr8 n ASP 762 Cb 0.52 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1rr8 n ASP 762 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1rr8 s TYR 763 N -1.90 3.38 -0.09 1.24 5.04 -1.24 -5.02 117.35 118.75 1rr8 s TYR 763 Ca 0.31 1.22 0.02 0.00 -2.44 0.00 0.00 57.07 56.18 1rr8 s TYR 763 Cb 0.22 -3.50 0.01 0.00 0.35 0.00 0.00 41.96 39.04 1rr8 s TYR 763 CO 0.11 -1.59 -0.15 -1.21 -1.34 0.00 0.00 175.55 171.37 1rr8 s GLU 764 N 0.80 2.10 0.00 4.97 2.02 -1.26 -4.92 118.70 122.41 1rr8 s GLU 764 Ca 0.59 -0.54 0.14 0.00 0.02 0.00 0.00 54.97 55.19 1rr8 s GLU 764 Cb -0.32 -1.74 0.84 0.00 0.10 0.00 0.00 34.13 33.01 1rr8 s GLU 764 CO 0.31 0.00 1.26 0.34 0.02 0.00 0.00 175.26 177.19