#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nh3 s LYS 204 N 0.00 2.96 -0.03 5.87 1.02 -1.26 -5.01 119.74 123.30 1nh3 s LYS 204 Ca 0.00 -0.83 0.21 0.00 0.02 0.00 0.00 55.97 55.38 1nh3 s LYS 204 Cb 0.00 -2.46 -0.32 0.00 -0.52 0.00 0.00 37.83 34.53 1nh3 s LYS 204 CO 0.00 -0.10 0.50 -2.67 -0.92 0.00 0.00 175.35 172.16 1nh3 n TRP 205 N 4.32 0.00 0.24 3.18 4.27 -1.26 -4.38 117.44 123.81 1nh3 n TRP 205 Ca -0.20 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.54 1nh3 n TRP 205 Cb 0.51 -0.44 0.42 0.00 -1.36 0.00 0.00 31.31 30.43 1nh3 n TRP 205 CO 0.00 0.00 0.00 0.11 -2.29 0.00 0.00 177.69 175.51 1nh3 h TRP 206 N 0.00 0.00 0.00 -2.67 0.09 -1.98 -3.10 115.95 108.28 1nh3 h TRP 206 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1nh3 h TRP 206 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.17 1nh3 h TRP 206 CO 0.00 0.05 -0.78 0.93 0.09 0.00 0.00 178.44 178.73 1nh3 h GLU 207 N 0.00 0.00 -7.52 0.12 4.39 -2.02 -3.47 114.58 106.08 1nh3 h GLU 207 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 1nh3 h GLU 207 Cb 0.78 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.52 1nh3 h GLU 207 CO 0.01 0.00 0.37 -2.00 -1.16 0.00 0.00 179.01 176.23 1nh3 s GLU 208 N -3.30 2.22 0.17 2.33 2.12 -1.17 -5.02 118.70 116.05 1nh3 s GLU 208 Ca 0.02 0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.17 1nh3 s GLU 208 Cb 0.10 -2.01 -0.09 0.00 0.26 0.00 0.00 34.13 32.39 1nh3 s GLU 208 CO 0.76 -1.39 1.42 -1.21 -0.54 0.00 0.00 175.26 174.30 1nh3 s GLU 209 N -5.46 4.30 -0.16 4.30 2.02 -1.26 -5.01 118.70 117.43 1nh3 s GLU 209 Ca 0.61 2.18 -0.21 0.00 0.02 0.00 0.00 54.97 57.56 1nh3 s GLU 209 Cb -0.11 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 1nh3 s GLU 209 CO 0.49 -0.43 0.64 1.03 0.02 0.00 0.00 175.26 177.00 1nh3 s ARG 210 N 0.58 4.28 -0.13 1.61 0.52 -1.26 -5.04 118.95 119.50 1nh3 s ARG 210 Ca 0.63 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 56.22 1nh3 s ARG 210 Cb -0.39 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 1nh3 s ARG 210 CO 0.35 -0.14 1.56 -0.47 0.02 0.00 0.00 175.30 176.62 1nh3 s TYR 211 N 1.55 2.20 1.33 -0.53 6.14 -1.26 -5.01 117.35 121.77 1nh3 s TYR 211 Ca 0.31 0.48 -0.19 0.00 0.64 0.00 0.00 57.07 58.30 1nh3 s TYR 211 Cb -0.16 -3.85 0.33 0.00 0.42 0.00 0.00 41.96 38.70 1nh3 s TYR 211 CO 0.12 -3.11 0.84 -2.30 0.64 0.00 0.00 175.55 171.74 1nh3 n PRO 212 N 7.18 -3.69 -1.79 4.97 -0.02 -1.26 -4.93 135.00 135.46 1nh3 n PRO 212 Ca 0.17 -1.08 -0.42 0.00 -2.02 0.00 0.00 63.50 60.15 1nh3 n PRO 212 Cb 0.44 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1nh3 n PRO 212 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1nh3 s GLU 213 N -4.61 4.16 0.00 -0.52 4.04 -1.26 -4.30 118.70 116.21 1nh3 s GLU 213 Ca 0.65 2.48 0.00 0.00 0.04 0.00 0.00 54.97 58.15 1nh3 s GLU 213 Cb -0.17 -3.88 0.00 0.00 0.02 0.00 0.00 34.13 30.10 1nh3 s GLU 213 CO 0.59 -0.87 0.00 0.41 -1.84 0.00 0.00 175.26 173.56 1nh3 n GLY 214 N 4.29 0.78 3.71 -3.83 0.00 -1.26 -5.10 105.19 103.78 1nh3 n GLY 214 Ca 0.18 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1nh3 n GLY 214 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nh3 s ILE 215 N 0.00 4.25 -0.84 -0.61 -1.16 -1.26 -4.56 121.20 117.02 1nh3 s ILE 215 Ca 0.00 1.61 0.22 0.00 -0.51 0.00 0.00 60.65 61.97 1nh3 s ILE 215 Cb 0.00 -4.03 -0.19 0.00 0.61 0.00 0.00 42.46 38.85 1nh3 s ILE 215 CO 0.00 0.11 0.95 0.29 -2.81 0.00 0.00 174.94 173.48 1nh3 n LYS 216 N 4.03 0.11 -3.60 3.50 5.02 0.15 -4.84 118.16 122.54 1nh3 n LYS 216 Ca 0.08 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 1nh3 n LYS 216 Cb 0.47 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 1nh3 n LYS 216 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1nh3 s TRP 217 N -3.08 -0.72 -0.07 2.13 1.48 -1.22 -4.96 118.94 112.50 1nh3 s TRP 217 Ca 0.06 1.59 -0.17 0.00 -1.06 0.00 0.00 56.10 56.52 1nh3 s TRP 217 Cb 0.16 0.31 -0.30 0.00 -1.16 0.00 0.00 33.47 32.48 1nh3 s TRP 217 CO 0.84 -0.45 0.71 -0.22 -4.06 0.00 0.00 176.95 173.77 1nh3 h LYS 218 N 4.30 0.30 -3.55 3.25 3.64 -1.93 -3.47 116.57 119.12 1nh3 h LYS 218 Ca -0.28 -0.52 -0.16 0.00 -1.27 0.00 0.00 60.65 58.42 1nh3 h LYS 218 Cb 1.15 0.19 -0.23 0.00 -0.41 0.00 0.00 32.23 32.94 1nh3 h LYS 218 CO 0.18 1.25 -0.54 0.12 -2.27 0.00 0.00 179.45 178.19 1nh3 s PHE 219 N -2.48 0.01 -0.19 1.91 5.36 -1.26 -5.02 117.98 116.32 1nh3 s PHE 219 Ca -0.17 -0.03 -0.13 0.00 -0.96 0.00 0.00 56.93 55.64 1nh3 s PHE 219 Cb 0.03 -0.04 0.06 0.00 -0.34 0.00 0.00 43.02 42.73 1nh3 s PHE 219 CO 0.81 -0.20 0.47 -1.17 -1.46 0.00 0.00 175.22 173.67 1nh3 s LEU 220 N -0.93 -0.10 -0.28 6.12 2.96 -1.26 -3.48 118.68 121.71 1nh3 s LEU 220 Ca -0.10 1.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1nh3 s LEU 220 Cb -0.06 1.59 0.13 0.00 0.50 0.00 0.00 46.19 48.35 1nh3 s LEU 220 CO 0.01 -0.19 0.28 -0.70 -1.32 0.00 0.00 176.35 174.43 1nh3 s GLU 221 N 1.01 0.30 0.14 1.98 -6.30 -1.21 -3.11 118.70 111.51 1nh3 s GLU 221 Ca -0.06 -0.08 0.05 0.00 -2.50 0.00 0.00 54.97 52.37 1nh3 s GLU 221 Cb -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 34.13 33.30 1nh3 s GLU 221 CO -0.09 -0.97 0.12 -3.38 0.02 0.00 0.00 175.26 170.97 1nh3 s HIS 222 N 2.36 3.16 0.10 5.30 -3.43 -1.26 -2.44 115.29 119.07 1nh3 s HIS 222 Ca 0.09 0.01 0.24 0.00 -0.80 0.00 0.00 55.06 54.59 1nh3 s HIS 222 Cb -0.14 -1.54 0.86 0.00 -1.43 0.00 0.00 32.58 30.33 1nh3 s HIS 222 CO -0.30 0.52 1.80 -0.22 -2.00 0.00 0.00 174.74 174.54 1nh3 h LYS 223 N 2.65 0.00 0.00 -0.38 1.63 -1.88 -3.40 116.57 115.19 1nh3 h LYS 223 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1nh3 h LYS 223 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1nh3 h LYS 223 CO 0.64 0.23 0.00 0.41 -3.45 0.00 0.00 179.45 177.28 1nh3 n GLY 224 N 0.24 2.01 1.10 5.01 0.00 -1.26 -4.73 105.19 107.55 1nh3 n GLY 224 Ca 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 1nh3 n GLY 224 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nh3 n PRO 225 N 0.14 -0.44 -3.71 1.61 -0.04 -1.26 -4.90 135.00 126.40 1nh3 n PRO 225 Ca 0.00 -0.58 -0.14 0.00 -0.04 0.00 0.00 63.50 62.74 1nh3 n PRO 225 Cb 0.00 -0.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.92 1nh3 n PRO 225 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nh3 s VAL 226 N -1.82 -0.15 0.17 0.52 1.01 -1.04 -5.02 120.40 114.08 1nh3 s VAL 226 Ca 0.22 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 1nh3 s VAL 226 Cb -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.07 1nh3 s VAL 226 CO 0.15 0.09 0.23 0.49 0.00 0.00 0.00 175.10 176.06 1nh3 n PHE 227 N 4.62 -3.30 -3.16 5.22 3.72 -1.26 -0.71 117.46 122.59 1nh3 n PHE 227 Ca -0.19 -0.39 -0.39 0.00 -0.05 0.00 0.00 57.45 56.43 1nh3 n PHE 227 Cb 0.51 -0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 38.83 1nh3 n PHE 227 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nh3 s ALA 228 N -2.89 3.45 -0.26 4.37 0.00 -1.26 -4.78 121.76 120.39 1nh3 s ALA 228 Ca 0.15 -0.11 -0.39 0.00 0.00 0.00 0.00 51.96 51.61 1nh3 s ALA 228 Cb -0.01 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 20.10 1nh3 s ALA 228 CO 0.10 -0.22 1.78 -2.30 0.00 0.00 0.00 175.76 175.11 1nh3 n PRO 229 N 4.17 1.30 -0.58 0.00 -0.02 -1.26 -4.67 135.00 133.95 1nh3 n PRO 229 Ca -0.03 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 1nh3 n PRO 229 Cb 0.51 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1nh3 n PRO 229 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nh3 n PRO 230 N 5.63 0.00 -0.65 0.52 -0.02 -1.26 -4.61 135.00 134.62 1nh3 n PRO 230 Ca 0.26 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.49 1nh3 n PRO 230 Cb 0.15 -0.55 -0.04 0.00 -0.02 0.00 0.00 33.50 33.05 1nh3 n PRO 230 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1nh3 n TYR 231 N 1.91 0.65 -2.92 6.00 9.36 -1.26 -4.92 117.16 125.97 1nh3 n TYR 231 Ca 0.14 0.42 -0.42 0.00 3.32 0.00 0.00 57.90 61.37 1nh3 n TYR 231 Cb -0.02 -0.85 -0.05 0.00 -0.63 0.00 0.00 39.34 37.80 1nh3 n TYR 231 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1nh3 s GLU 232 N 1.24 4.05 0.90 2.98 0.41 -1.26 -5.05 118.70 121.97 1nh3 s GLU 232 Ca 0.40 0.73 -0.11 0.00 -0.41 0.00 0.00 54.97 55.59 1nh3 s GLU 232 Cb -0.57 -3.69 0.13 0.00 -1.78 0.00 0.00 34.13 28.22 1nh3 s GLU 232 CO 0.31 -0.62 1.12 -2.14 -0.49 0.00 0.00 175.26 173.44 1nh3 s PRO 233 N 2.92 1.18 0.04 0.39 0.02 -1.26 -5.01 135.00 133.28 1nh3 s PRO 233 Ca 0.33 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 1nh3 s PRO 233 Cb -0.14 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1nh3 s PRO 233 CO 0.11 -2.44 1.04 -0.51 -0.33 0.00 0.00 177.00 174.87 1nh3 s LEU 234 N -6.45 4.40 0.91 -5.54 1.43 -1.26 -5.05 118.68 107.11 1nh3 s LEU 234 Ca 0.65 1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 1nh3 s LEU 234 Cb -0.21 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.57 1nh3 s LEU 234 CO 0.58 -0.29 1.09 -2.84 0.23 0.00 0.00 176.35 175.13 1nh3 s PRO 235 N 0.78 1.17 0.29 1.29 0.02 -1.26 -4.95 135.00 132.34 1nh3 s PRO 235 Ca 0.53 0.93 0.04 0.00 0.02 0.00 0.00 61.00 62.53 1nh3 s PRO 235 Cb -0.24 -1.79 0.68 0.00 0.02 0.00 0.00 34.50 33.17 1nh3 s PRO 235 CO 0.29 -2.33 1.78 1.05 -0.33 0.00 0.00 177.00 177.46 1nh3 h GLU 236 N -1.62 0.75 0.00 5.54 -0.00 -2.06 -3.03 114.58 114.16 1nh3 h GLU 236 Ca -0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.82 1nh3 h GLU 236 Cb 1.28 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.86 1nh3 h GLU 236 CO 0.53 0.50 0.00 -2.95 -0.00 0.00 0.00 179.01 177.08 1nh3 h ASN 237 N 0.77 0.00 -4.28 3.06 -1.07 -2.04 -3.45 115.58 108.57 1nh3 h ASN 237 Ca 0.55 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 56.43 1nh3 h ASN 237 Cb 0.81 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 37.12 1nh3 h ASN 237 CO -0.37 0.00 0.39 -0.69 0.07 0.00 0.00 177.43 176.83 1nh3 s VAL 238 N -3.54 4.39 0.00 6.14 1.01 -1.15 -5.08 120.40 122.17 1nh3 s VAL 238 Ca 0.01 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1nh3 s VAL 238 Cb 0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1nh3 s VAL 238 CO 0.37 -0.86 0.00 0.29 0.00 0.00 0.00 175.10 174.90 1nh3 n LYS 239 N -2.35 2.47 0.00 2.72 5.02 -1.26 -5.03 118.16 119.72 1nh3 n LYS 239 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1nh3 n LYS 239 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1nh3 n LYS 239 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nh3 n PHE 240 N 0.00 0.00 -3.53 2.13 7.35 -1.26 -4.78 117.46 117.37 1nh3 n PHE 240 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 1nh3 n PHE 240 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 1nh3 n PHE 240 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1nh3 s TYR 241 N 0.00 3.25 -0.07 -5.13 1.51 -1.23 -2.85 117.35 112.84 1nh3 s TYR 241 Ca 0.00 0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.35 1nh3 s TYR 241 Cb 0.00 -2.43 -0.00 0.00 -0.11 0.00 0.00 41.96 39.42 1nh3 s TYR 241 CO 0.00 -0.13 -0.21 -0.47 -1.11 0.00 0.00 175.55 173.63 1nh3 s TYR 242 N 1.71 2.15 -0.98 2.71 5.04 -0.74 -1.98 117.35 125.26 1nh3 s TYR 242 Ca 0.10 -0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1nh3 s TYR 242 Cb -0.15 -1.45 0.01 0.00 0.35 0.00 0.00 41.96 40.71 1nh3 s TYR 242 CO 0.09 -0.29 0.02 -0.25 -1.34 0.00 0.00 175.55 173.78 1nh3 n ASP 243 N 3.36 0.48 0.00 4.32 8.00 -0.59 -1.20 116.55 130.93 1nh3 n ASP 243 Ca -0.19 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1nh3 n ASP 243 Cb 0.53 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1nh3 n ASP 243 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nh3 n GLY 244 N -1.91 2.76 0.00 0.44 0.00 -1.26 -4.97 105.19 100.24 1nh3 n GLY 244 Ca -0.19 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1nh3 n GLY 244 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nh3 n LYS 245 N 0.00 2.05 -4.30 1.61 5.02 -0.34 -5.13 118.16 117.06 1nh3 n LYS 245 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1nh3 n LYS 245 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 1nh3 n LYS 245 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nh3 s VAL 246 N 1.08 0.62 0.12 -0.18 1.01 -1.25 -1.78 120.40 120.01 1nh3 s VAL 246 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1nh3 s VAL 246 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1nh3 s VAL 246 CO 0.00 0.18 -0.01 -0.04 0.00 0.00 0.00 175.10 175.23 1nh3 s MET 247 N -0.14 2.45 0.07 2.72 1.00 -1.13 -4.85 119.30 119.41 1nh3 s MET 247 Ca 0.02 -0.95 0.02 0.00 0.00 0.00 0.00 55.69 54.78 1nh3 s MET 247 Cb -0.04 -2.45 -0.04 0.00 0.00 0.00 0.00 34.83 32.30 1nh3 s MET 247 CO -0.00 0.51 0.14 0.15 0.00 0.00 0.00 175.02 175.81 1nh3 s LYS 248 N -2.50 3.13 -0.02 2.03 3.01 -1.26 -4.70 119.74 119.44 1nh3 s LYS 248 Ca 0.26 -0.57 0.06 0.00 -1.01 0.00 0.00 55.97 54.71 1nh3 s LYS 248 Cb -0.11 -2.87 -0.02 0.00 -1.01 0.00 0.00 37.83 33.82 1nh3 s LYS 248 CO 0.18 0.59 -0.20 -0.51 0.51 0.00 0.00 175.35 175.91 1nh3 s LEU 249 N -2.42 2.40 0.36 3.17 1.43 -1.26 -5.06 118.68 117.31 1nh3 s LEU 249 Ca 0.32 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.82 1nh3 s LEU 249 Cb -0.13 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 1nh3 s LEU 249 CO 0.24 0.32 0.91 -0.94 0.23 0.00 0.00 176.35 177.11 1nh3 s SER 250 N -0.82 7.10 0.00 2.29 1.04 -1.26 -4.76 113.70 117.30 1nh3 s SER 250 Ca 0.11 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1nh3 s SER 250 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1nh3 s SER 250 CO 0.01 -0.19 0.74 -2.65 0.98 0.00 0.00 173.24 172.12 1nh3 n PRO 251 N -0.01 0.00 -0.08 4.02 -0.02 -1.26 0.02 135.00 137.67 1nh3 n PRO 251 Ca 0.04 0.25 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1nh3 n PRO 251 Cb 0.52 -1.73 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 1nh3 n PRO 251 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nh3 n LYS 252 N -1.24 0.65 0.21 -0.52 3.00 -1.26 -3.51 118.16 115.49 1nh3 n LYS 252 Ca 0.00 0.32 0.10 0.00 -0.00 0.00 0.00 58.31 58.74 1nh3 n LYS 252 Cb 0.23 -1.63 0.24 0.00 0.00 0.00 0.00 35.03 33.86 1nh3 n LYS 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nh3 h ALA 253 N -0.33 0.93 0.00 3.14 0.00 -0.51 -2.93 119.26 119.57 1nh3 h ALA 253 Ca -0.50 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 1nh3 h ALA 253 Cb 1.72 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1nh3 h ALA 253 CO -0.14 0.17 -0.88 1.49 0.00 0.00 0.00 179.25 179.89 1nh3 h GLU 254 N 0.00 0.20 -0.14 0.00 4.81 -0.59 -2.56 114.58 116.30 1nh3 h GLU 254 Ca -0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1nh3 h GLU 254 Cb 0.99 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1nh3 h GLU 254 CO 0.02 0.95 -0.08 1.49 -0.73 0.00 0.00 179.01 180.66 1nh3 h GLU 255 N 0.11 0.30 0.00 1.92 4.81 -1.56 -2.96 114.58 117.20 1nh3 h GLU 255 Ca -0.04 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1nh3 h GLU 255 Cb 1.50 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 1nh3 h GLU 255 CO 0.13 0.64 -0.09 0.28 -0.73 0.00 0.00 179.01 179.24 1nh3 h VAL 256 N -0.05 0.26 -0.09 0.32 2.07 -1.57 -2.84 116.25 114.36 1nh3 h VAL 256 Ca 0.03 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1nh3 h VAL 256 Cb 0.56 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1nh3 h VAL 256 CO 0.02 0.09 0.02 0.00 0.02 0.00 0.00 177.57 177.73 1nh3 h ALA 257 N 1.91 0.11 0.00 1.67 0.00 -1.29 -2.96 119.26 118.70 1nh3 h ALA 257 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nh3 h ALA 257 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nh3 h ALA 257 CO 0.01 -0.25 0.03 1.79 0.00 0.00 0.00 179.25 180.83 1nh3 h THR 258 N -0.07 0.00 0.00 0.00 1.35 -1.42 -1.57 112.91 111.20 1nh3 h THR 258 Ca 0.03 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.70 1nh3 h THR 258 Cb 0.25 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 1nh3 h THR 258 CO 0.00 0.00 -1.23 -0.26 -0.25 0.00 0.00 175.52 173.78 1nh3 h PHE 259 N 0.00 0.00 0.00 4.73 0.04 -1.63 -2.58 116.94 117.49 1nh3 h PHE 259 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1nh3 h PHE 259 Cb 0.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1nh3 h PHE 259 CO 0.00 0.71 -0.57 0.35 -0.60 0.00 0.00 178.31 178.20 1nh3 h PHE 260 N 0.00 0.00 -0.11 -0.55 3.57 -1.35 -3.25 116.94 115.25 1nh3 h PHE 260 Ca -0.13 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.15 1nh3 h PHE 260 Cb 1.66 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.41 1nh3 h PHE 260 CO 0.00 0.12 -0.77 0.00 -2.23 0.00 0.00 178.31 175.43 1nh3 h ALA 261 N 1.88 0.24 0.00 2.41 0.00 -1.47 -3.09 119.26 119.24 1nh3 h ALA 261 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1nh3 h ALA 261 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nh3 h ALA 261 CO 0.01 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.51 1nh3 n LYS 262 N -3.99 0.33 -2.93 0.00 5.02 -0.98 -3.56 118.16 112.06 1nh3 n LYS 262 Ca -0.08 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 1nh3 n LYS 262 Cb 0.74 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.28 1nh3 n LYS 262 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1nh3 n MET 263 N -1.06 0.89 -0.10 1.97 2.00 -1.17 -5.01 117.12 114.65 1nh3 n MET 263 Ca 0.08 -2.46 -0.19 0.00 0.00 0.00 0.00 57.70 55.13 1nh3 n MET 263 Cb 0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 33.22 31.84 1nh3 n MET 263 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1nh3 n LEU 264 N 0.86 1.85 -2.29 4.03 4.77 -1.23 -4.41 117.00 120.58 1nh3 n LEU 264 Ca 0.14 0.46 -0.24 0.00 -0.03 0.00 0.00 56.01 56.34 1nh3 n LEU 264 Cb 0.64 -0.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1nh3 n LEU 264 CO 0.11 0.14 1.45 -0.90 -1.33 0.00 0.00 177.39 176.86 1nh3 n ASP 265 N -4.46 6.57 -4.52 -1.43 5.68 -1.26 -4.71 116.55 112.42 1nh3 n ASP 265 Ca -0.28 -3.21 -0.30 0.00 -0.50 0.00 0.00 54.79 50.50 1nh3 n ASP 265 Cb 0.61 -1.15 -0.11 0.00 -1.14 0.00 0.00 41.12 39.32 1nh3 n ASP 265 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1nh3 s HIS 266 N -1.94 2.66 -1.29 2.11 2.46 -1.26 -4.99 115.29 113.05 1nh3 s HIS 266 Ca 0.49 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.83 1nh3 s HIS 266 Cb 0.34 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 31.34 1nh3 s HIS 266 CO -0.14 0.35 0.76 0.39 -2.47 0.00 0.00 174.74 173.62 1nh3 n GLU 267 N 1.18 0.00 0.09 2.88 4.71 -1.26 -1.08 120.64 127.17 1nh3 n GLU 267 Ca -0.15 0.28 -0.14 0.00 -0.01 0.00 0.00 57.16 57.13 1nh3 n GLU 267 Cb 0.52 -1.52 -0.14 0.00 -1.01 0.00 0.00 31.44 29.29 1nh3 n GLU 267 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1nh3 h TYR 268 N 0.00 0.41 -0.22 -0.32 0.99 -1.94 -3.31 116.97 112.58 1nh3 h TYR 268 Ca 0.00 -0.30 -0.11 0.00 2.00 0.00 0.00 58.73 60.32 1nh3 h TYR 268 Cb 0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 1nh3 h TYR 268 CO 0.00 1.24 -0.34 1.79 -0.00 0.00 0.00 178.16 180.85 1nh3 h THR 269 N 0.06 1.29 -0.16 -2.88 1.35 -1.37 -2.54 112.91 108.65 1nh3 h THR 269 Ca -0.13 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1nh3 h THR 269 Cb 1.94 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1nh3 h THR 269 CO 0.19 0.44 0.00 1.07 -0.25 0.00 0.00 175.52 176.97 1nh3 n THR 270 N -4.07 0.57 -3.66 6.82 5.66 -1.25 -4.74 114.28 113.61 1nh3 n THR 270 Ca -0.01 -0.33 -0.38 0.00 -3.05 0.00 0.00 64.05 60.28 1nh3 n THR 270 Cb 0.46 -0.26 -0.12 0.00 -1.55 0.00 0.00 70.33 68.86 1nh3 n THR 270 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1nh3 s LYS 271 N -1.55 3.51 0.18 1.09 0.00 -0.96 -5.02 119.74 116.98 1nh3 s LYS 271 Ca 0.14 -0.60 -0.14 0.00 0.00 0.00 0.00 55.97 55.36 1nh3 s LYS 271 Cb 0.09 -3.54 0.16 0.00 0.00 0.00 0.00 37.83 34.54 1nh3 s LYS 271 CO 0.06 -0.33 1.71 1.49 0.00 0.00 0.00 175.35 178.28 1nh3 h GLU 272 N 8.34 0.19 -0.57 1.78 4.57 -1.86 -2.61 114.58 124.41 1nh3 h GLU 272 Ca -0.34 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.78 1nh3 h GLU 272 Cb 1.16 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1nh3 h GLU 272 CO 0.60 0.12 0.17 0.82 -1.18 0.00 0.00 179.01 179.54 1nh3 h ILE 273 N 0.19 1.22 -0.69 2.32 1.08 -1.95 -1.95 117.51 117.73 1nh3 h ILE 273 Ca 0.23 -0.77 -0.06 0.00 -0.39 0.00 0.00 64.86 63.87 1nh3 h ILE 273 Cb 0.30 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1nh3 h ILE 273 CO -0.32 0.30 0.21 0.15 -0.69 0.00 0.00 178.15 177.80 1nh3 h PHE 274 N 0.84 1.10 -0.25 1.37 3.04 -1.67 -2.52 116.94 118.85 1nh3 h PHE 274 Ca 0.19 -0.11 -0.19 0.00 3.98 0.00 0.00 57.97 61.84 1nh3 h PHE 274 Cb 0.25 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1nh3 h PHE 274 CO 0.02 0.87 -0.60 0.00 -2.02 0.00 0.00 178.31 176.58 1nh3 h ARG 275 N 1.02 0.84 -0.71 1.11 3.08 -1.17 -2.72 114.38 115.83 1nh3 h ARG 275 Ca 0.22 -0.57 0.04 0.00 0.07 0.00 0.00 59.98 59.75 1nh3 h ARG 275 Cb 0.30 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1nh3 h ARG 275 CO -0.01 1.19 0.47 0.87 -1.07 0.00 0.00 179.97 181.42 1nh3 h LYS 276 N 0.63 0.80 0.00 0.04 1.57 -1.05 -1.32 116.57 117.24 1nh3 h LYS 276 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1nh3 h LYS 276 Cb 1.21 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1nh3 h LYS 276 CO 0.13 0.53 -0.56 -0.91 -0.57 0.00 0.00 179.45 178.07 1nh3 h ASN 277 N 0.82 0.00 1.32 0.86 2.35 -1.47 -3.12 115.58 116.35 1nh3 h ASN 277 Ca 0.29 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.90 1nh3 h ASN 277 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1nh3 h ASN 277 CO -0.09 0.19 -0.65 0.15 -1.65 0.00 0.00 177.43 175.38 1nh3 h PHE 278 N 0.00 0.00 0.00 1.19 3.57 -0.94 -1.32 116.94 119.44 1nh3 h PHE 278 Ca -0.02 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.22 1nh3 h PHE 278 Cb 1.17 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.93 1nh3 h PHE 278 CO 0.00 0.65 -1.00 0.35 -2.23 0.00 0.00 178.31 176.09 1nh3 h PHE 279 N 0.00 1.00 0.62 0.41 3.57 -1.43 -2.85 116.94 118.26 1nh3 h PHE 279 Ca -0.01 -0.55 -0.03 0.00 3.53 0.00 0.00 57.97 60.92 1nh3 h PHE 279 Cb 1.49 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 40.12 1nh3 h PHE 279 CO 0.00 1.38 -0.30 -0.22 -2.23 0.00 0.00 178.31 176.94 1nh3 h LYS 280 N 0.34 -0.80 0.00 1.11 1.63 -1.55 -2.82 116.57 114.48 1nh3 h LYS 280 Ca -0.13 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1nh3 h LYS 280 Cb 1.66 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1nh3 h LYS 280 CO 0.20 -0.53 0.00 -0.25 -3.45 0.00 0.00 179.45 175.41 1nh3 n ASP 281 N -4.80 0.00 0.01 4.20 9.92 -0.50 -1.70 116.55 123.67 1nh3 n ASP 281 Ca -0.10 0.43 0.11 0.00 -0.53 0.00 0.00 54.79 54.70 1nh3 n ASP 281 Cb 0.33 -0.45 -0.13 0.00 -0.64 0.00 0.00 41.12 40.24 1nh3 n ASP 281 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1nh3 n TRP 282 N -1.45 0.18 1.03 1.24 -0.00 -1.08 -3.72 117.44 113.64 1nh3 n TRP 282 Ca 0.01 0.05 0.11 0.00 -0.00 0.00 0.00 57.50 57.67 1nh3 n TRP 282 Cb 0.04 -0.54 0.55 0.00 -0.00 0.00 0.00 31.31 31.37 1nh3 n TRP 282 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 1nh3 n ARG 283 N -2.25 0.30 -0.13 5.87 3.00 -0.69 -3.02 116.66 119.74 1nh3 n ARG 283 Ca -0.02 0.08 -0.19 0.00 -0.00 0.00 0.00 57.85 57.72 1nh3 n ARG 283 Cb 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.39 1nh3 n ARG 283 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1nh3 n LYS 284 N -1.29 0.62 0.00 -0.14 5.02 -1.25 -4.58 118.16 116.54 1nh3 n LYS 284 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1nh3 n LYS 284 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1nh3 n LYS 284 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1nh3 n GLU 285 N -3.37 0.97 -0.58 1.97 -0.00 -1.17 -4.84 120.64 113.62 1nh3 n GLU 285 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.70 1nh3 n GLU 285 Cb 0.96 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 31.05 1nh3 n GLU 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nh3 n MET 286 N 0.16 0.00 -1.40 3.44 0.00 -1.25 -2.71 117.12 115.36 1nh3 n MET 286 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.64 1nh3 n MET 286 Cb 0.31 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.56 1nh3 n MET 286 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1nh3 n THR 287 N 0.00 0.00 0.01 3.17 -2.24 -1.26 -5.05 114.28 108.91 1nh3 n THR 287 Ca 0.00 -0.52 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 1nh3 n THR 287 Cb 0.00 -1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 67.10 1nh3 n THR 287 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nh3 n ASN 288 N -2.88 0.83 0.10 3.42 5.15 -1.26 -3.49 115.26 117.13 1nh3 n ASN 288 Ca 0.05 0.38 -0.18 0.00 -0.60 0.00 0.00 54.58 54.23 1nh3 n ASN 288 Cb 0.17 0.12 -0.12 0.00 -0.53 0.00 0.00 39.78 39.43 1nh3 n ASN 288 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1nh3 h GLU 289 N 0.00 0.41 -0.45 1.20 4.11 -2.00 -3.05 114.58 114.80 1nh3 h GLU 289 Ca -0.22 -0.59 -0.11 0.00 0.07 0.00 0.00 59.36 58.50 1nh3 h GLU 289 Cb 1.77 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1nh3 h GLU 289 CO 0.06 1.26 -0.17 0.93 0.07 0.00 0.00 179.01 181.15 1nh3 h GLU 290 N 0.16 0.87 -0.11 1.06 5.08 -1.98 -2.86 114.58 116.80 1nh3 h GLU 290 Ca -0.15 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1nh3 h GLU 290 Cb 1.90 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1nh3 h GLU 290 CO 0.21 0.97 0.00 1.63 -1.00 0.00 0.00 179.01 180.82 1nh3 n LYS 291 N -4.13 1.54 0.06 2.33 5.02 -1.23 -4.03 118.16 117.72 1nh3 n LYS 291 Ca 0.01 -0.81 -0.21 0.00 -2.02 0.00 0.00 58.31 55.28 1nh3 n LYS 291 Cb 0.42 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 1nh3 n LYS 291 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1nh3 h ASN 292 N 1.68 0.85 0.22 4.39 -1.24 -1.39 -3.37 115.58 116.73 1nh3 h ASN 292 Ca 0.00 -0.78 -0.35 0.00 0.71 0.00 0.00 56.30 55.88 1nh3 h ASN 292 Cb 0.37 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1nh3 h ASN 292 CO 0.00 1.53 -1.85 0.40 -1.29 0.00 0.00 177.43 176.23 1nh3 h ILE 293 N 0.27 0.79 -2.17 2.57 2.04 -1.72 -3.47 117.51 115.82 1nh3 h ILE 293 Ca -0.15 -2.48 -0.58 0.00 1.00 0.00 0.00 64.86 62.65 1nh3 h ILE 293 Cb 1.75 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 40.42 1nh3 h ILE 293 CO 0.21 0.84 1.42 -0.63 0.00 0.00 0.00 178.15 179.99 1nh3 s ILE 294 N -2.58 3.12 0.00 -0.67 1.01 -1.26 -4.84 121.20 115.99 1nh3 s ILE 294 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1nh3 s ILE 294 Cb 0.06 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1nh3 s ILE 294 CO 0.81 -0.09 0.00 0.35 0.00 0.00 0.00 174.94 176.01 1nh3 n THR 295 N 7.50 0.00 -3.71 2.92 -2.24 -1.26 -4.96 114.28 112.53 1nh3 n THR 295 Ca 0.27 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1nh3 n THR 295 Cb 0.45 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 1nh3 n THR 295 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nh3 s ASN 296 N -0.97 -0.50 0.40 3.42 6.03 -1.26 -5.04 114.94 117.02 1nh3 s ASN 296 Ca 0.00 0.90 0.21 0.00 -1.03 0.00 0.00 52.86 52.94 1nh3 s ASN 296 Cb 0.00 0.84 0.47 0.00 -3.03 0.00 0.00 41.25 39.53 1nh3 s ASN 296 CO 0.00 -0.17 1.63 0.25 -2.03 0.00 0.00 177.10 176.78 1nh3 h LEU 297 N 6.32 0.00 -2.70 3.54 5.85 -1.99 -3.20 115.31 123.13 1nh3 h LEU 297 Ca -0.32 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1nh3 h LEU 297 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1nh3 h LEU 297 CO 0.26 0.22 -0.01 0.77 -0.34 0.00 0.00 178.44 179.35 1nh3 h SER 298 N 0.00 0.00 -0.76 1.25 4.64 -2.03 -2.19 113.55 114.46 1nh3 h SER 298 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1nh3 h SER 298 Cb 1.03 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.94 1nh3 h SER 298 CO 0.03 0.01 0.38 0.29 -0.87 0.00 0.00 176.83 176.67 1nh3 n LYS 299 N -3.18 2.95 -4.32 4.77 5.02 -1.21 -4.96 118.16 117.22 1nh3 n LYS 299 Ca -0.02 -2.73 -0.24 0.00 -2.02 0.00 0.00 58.31 53.29 1nh3 n LYS 299 Cb 0.11 -2.10 -0.08 0.00 -0.02 0.00 0.00 35.03 32.94 1nh3 n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nh3 s ASP 301 N -3.39 1.88 0.00 0.00 1.01 -0.84 -4.99 116.67 110.34 1nh3 s ASP 301 Ca 0.29 -0.34 0.20 0.00 0.71 0.00 0.00 52.55 53.41 1nh3 s ASP 301 Cb -0.07 -0.21 0.43 0.00 1.01 0.00 0.00 42.92 44.08 1nh3 s ASP 301 CO 0.18 -0.31 1.36 0.49 0.21 0.00 0.00 175.17 177.10 1nh3 n PHE 302 N 5.29 0.56 -0.32 4.23 3.72 -1.26 -3.48 117.46 126.19 1nh3 n PHE 302 Ca -0.05 -0.33 0.13 0.00 -0.05 0.00 0.00 57.45 57.15 1nh3 n PHE 302 Cb 0.49 -0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.34 1nh3 n PHE 302 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1nh3 h THR 303 N 3.86 0.59 0.00 4.37 1.35 -1.97 -1.99 112.91 119.12 1nh3 h THR 303 Ca 0.00 -0.19 -0.03 0.00 -0.55 0.00 0.00 66.41 65.64 1nh3 h THR 303 Cb 0.91 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1nh3 h THR 303 CO 0.00 0.10 -0.13 0.06 -0.25 0.00 0.00 175.52 175.30 1nh3 h GLN 304 N 0.56 0.00 0.00 4.72 -0.00 -1.92 -2.48 115.11 115.99 1nh3 h GLN 304 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.21 1nh3 h GLN 304 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.45 1nh3 h GLN 304 CO -0.45 0.13 -0.86 0.52 -0.00 0.00 0.00 178.83 178.17 1nh3 h MET 305 N 0.00 0.00 0.00 0.06 2.07 -1.71 -3.28 114.93 112.07 1nh3 h MET 305 Ca -0.00 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.55 1nh3 h MET 305 Cb 0.75 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.47 1nh3 h MET 305 CO 0.02 0.00 -0.58 1.03 1.07 0.00 0.00 176.91 178.45 1nh3 h SER 306 N 0.00 0.00 0.72 1.22 0.87 -0.92 -0.53 113.55 114.91 1nh3 h SER 306 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1nh3 h SER 306 Cb 0.91 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1nh3 h SER 306 CO 0.00 0.36 -1.32 -0.61 -0.53 0.00 0.00 176.83 174.73 1nh3 h GLN 307 N 0.00 0.06 0.11 2.24 4.15 -1.62 -3.14 115.11 116.91 1nh3 h GLN 307 Ca -0.03 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1nh3 h GLN 307 Cb 1.30 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.03 1nh3 h GLN 307 CO 0.04 0.89 -0.05 -0.92 -1.93 0.00 0.00 178.83 176.86 1nh3 h TYR 308 N 0.02 -0.13 -0.73 3.99 3.20 -1.61 0.41 116.97 122.12 1nh3 h TYR 308 Ca -0.14 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1nh3 h TYR 308 Cb 1.90 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 40.18 1nh3 h TYR 308 CO 0.02 0.24 0.42 0.35 -1.64 0.00 0.00 178.16 177.54 1nh3 h PHE 309 N -0.53 0.99 -0.30 -3.82 -0.00 -1.22 -0.44 116.94 111.62 1nh3 h PHE 309 Ca -0.01 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.97 57.79 1nh3 h PHE 309 Cb 0.43 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 36.05 1nh3 h PHE 309 CO 0.05 0.68 -0.41 0.87 -0.00 0.00 0.00 178.31 179.51 1nh3 h LYS 310 N 1.00 0.72 -0.01 1.11 1.57 -1.54 -2.81 116.57 116.62 1nh3 h LYS 310 Ca 0.26 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1nh3 h LYS 310 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1nh3 h LYS 310 CO -0.04 0.99 -0.53 0.00 -0.57 0.00 0.00 179.45 179.30 1nh3 h ALA 311 N 0.96 1.10 0.00 3.86 0.00 -0.52 -2.71 119.26 121.95 1nh3 h ALA 311 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1nh3 h ALA 311 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nh3 h ALA 311 CO 0.09 0.67 -0.22 -0.56 0.00 0.00 0.00 179.25 179.22 1nh3 h GLN 312 N 0.03 0.00 0.23 0.00 3.07 -0.88 0.19 115.11 117.75 1nh3 h GLN 312 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.40 1nh3 h GLN 312 Cb 0.95 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.54 1nh3 h GLN 312 CO 0.07 0.22 -1.50 1.15 0.09 0.00 0.00 178.83 178.87 1nh3 h THR 313 N 0.00 1.26 0.00 1.86 2.02 -1.25 -3.29 112.91 113.51 1nh3 h THR 313 Ca -0.00 -2.72 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1nh3 h THR 313 Cb 0.69 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1nh3 h THR 313 CO 0.03 0.83 0.00 -0.62 0.37 0.00 0.00 175.52 176.12 1nh3 n GLU 314 N -3.68 0.26 0.25 6.66 1.02 -1.02 -3.35 120.64 120.77 1nh3 n GLU 314 Ca -0.17 0.23 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1nh3 n GLU 314 Cb 1.10 -1.81 0.45 0.00 -0.02 0.00 0.00 31.44 31.15 1nh3 n GLU 314 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nh3 h ALA 315 N 2.50 0.99 0.00 0.62 0.00 -1.03 -2.55 119.26 119.79 1nh3 h ALA 315 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nh3 h ALA 315 Cb 0.71 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1nh3 h ALA 315 CO 0.00 0.05 -0.56 0.07 0.00 0.00 0.00 179.25 178.80 1nh3 h ARG 316 N 0.00 0.00 -0.01 0.00 -0.00 -1.70 -3.10 114.38 109.58 1nh3 h ARG 316 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1nh3 h ARG 316 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.72 1nh3 h ARG 316 CO 0.00 0.09 -0.05 1.63 -0.00 0.00 0.00 179.97 181.65 1nh3 n LYS 317 N -2.94 1.03 -0.00 0.08 5.02 -0.97 -3.14 118.16 117.24 1nh3 n LYS 317 Ca 0.01 -0.35 0.06 0.00 -2.02 0.00 0.00 58.31 56.02 1nh3 n LYS 317 Cb 0.59 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 1nh3 n LYS 317 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nh3 n GLN 318 N -0.68 0.99 -2.05 1.97 10.64 -1.16 -4.99 117.38 122.10 1nh3 n GLN 318 Ca 0.19 -0.09 -0.42 0.00 -1.83 0.00 0.00 57.00 54.85 1nh3 n GLN 318 Cb 0.25 -1.25 -0.03 0.00 -0.86 0.00 0.00 30.24 28.34 1nh3 n GLN 318 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1nh3 s MET 319 N -2.72 4.25 1.26 2.61 1.00 -1.18 -5.00 119.30 119.53 1nh3 s MET 319 Ca -0.02 2.21 -0.15 0.00 0.00 0.00 0.00 55.69 57.72 1nh3 s MET 319 Cb 0.08 -3.37 0.32 0.00 0.00 0.00 0.00 34.83 31.87 1nh3 s MET 319 CO 0.53 -0.59 0.96 -1.13 0.00 0.00 0.00 175.02 174.79 1nh3 n SER 320 N 4.62 -2.38 -1.22 3.03 3.41 -1.26 -4.54 113.62 115.27 1nh3 n SER 320 Ca 0.14 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1nh3 n SER 320 Cb 0.41 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1nh3 n SER 320 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1nh3 n LYS 321 N -5.15 0.93 0.00 4.33 0.00 -1.26 -0.96 118.16 116.05 1nh3 n LYS 321 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1nh3 n LYS 321 Cb 0.55 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.55 1nh3 n LYS 321 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1nh3 n GLU 322 N 0.95 0.00 0.15 -1.58 -0.00 -1.26 -4.86 120.64 114.05 1nh3 n GLU 322 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.28 1nh3 n GLU 322 Cb 0.47 -0.08 0.18 0.00 -0.00 0.00 0.00 31.44 32.00 1nh3 n GLU 322 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1nh3 h GLU 323 N 0.00 0.00 -0.01 3.44 5.08 -1.74 -2.57 114.58 118.78 1nh3 h GLU 323 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nh3 h GLU 323 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nh3 h GLU 323 CO 0.00 0.00 -0.05 0.36 -1.00 0.00 0.00 179.01 178.32 1nh3 n LYS 324 N -2.73 1.31 0.00 2.33 -0.00 -0.13 -3.76 118.16 115.18 1nh3 n LYS 324 Ca 0.03 -0.65 0.00 0.00 -0.00 0.00 0.00 58.31 57.70 1nh3 n LYS 324 Cb 0.50 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 1nh3 n LYS 324 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1nh3 n LEU 325 N -0.28 0.00 -0.06 -5.58 7.94 -1.18 -4.10 117.00 113.74 1nh3 n LEU 325 Ca 0.18 -0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 54.73 1nh3 n LEU 325 Cb 0.30 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.22 1nh3 n LEU 325 CO 0.19 0.00 0.93 0.11 -1.11 0.00 0.00 177.39 177.51 1nh3 h LYS 326 N 0.00 0.30 0.00 1.96 6.56 -1.55 -2.52 116.57 121.33 1nh3 h LYS 326 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1nh3 h LYS 326 Cb 0.00 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1nh3 h LYS 326 CO 0.00 0.26 -1.09 -0.89 -2.06 0.00 0.00 179.45 175.67 1nh3 n ILE 327 N -4.89 0.00 0.48 1.86 -0.00 -1.26 -4.31 119.36 111.24 1nh3 n ILE 327 Ca -0.03 -0.22 0.13 0.00 -0.00 0.00 0.00 62.75 62.63 1nh3 n ILE 327 Cb 0.06 0.69 0.43 0.00 -0.00 0.00 0.00 39.64 40.82 1nh3 n ILE 327 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1nh3 h LYS 328 N 0.00 0.00 0.00 0.38 3.11 -1.70 -2.31 116.57 116.04 1nh3 h LYS 328 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 1nh3 h LYS 328 Cb 0.50 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.68 1nh3 h LYS 328 CO 0.00 0.00 -1.88 0.39 -2.81 0.00 0.00 179.45 175.15 1nh3 n GLU 329 N -2.40 0.65 0.07 1.90 4.71 -0.95 -4.03 120.64 120.58 1nh3 n GLU 329 Ca 0.04 0.17 -0.05 0.00 -0.01 0.00 0.00 57.16 57.31 1nh3 n GLU 329 Cb 0.36 -1.70 0.14 0.00 -1.01 0.00 0.00 31.44 29.23 1nh3 n GLU 329 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1nh3 h GLU 330 N 0.00 0.31 -0.00 3.49 3.07 -1.67 -2.05 114.58 117.72 1nh3 h GLU 330 Ca -0.34 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1nh3 h GLU 330 Cb 1.97 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 1nh3 h GLU 330 CO 0.06 0.76 -0.01 0.27 -1.40 0.00 0.00 179.01 178.69 1nh3 n ASN 331 N -3.94 0.16 -0.00 1.42 0.23 -0.90 -2.53 115.26 109.70 1nh3 n ASN 331 Ca -0.02 -0.90 0.05 0.00 -0.53 0.00 0.00 54.58 53.18 1nh3 n ASN 331 Cb 0.56 -0.04 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 1nh3 n ASN 331 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1nh3 n GLU 332 N -0.93 2.40 0.21 -3.83 0.00 -0.99 -4.25 120.64 113.24 1nh3 n GLU 332 Ca 0.22 -0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.48 1nh3 n GLU 332 Cb 0.16 -1.09 0.47 0.00 0.00 0.00 0.00 31.44 30.98 1nh3 n GLU 332 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1nh3 h LYS 333 N 0.00 0.00 0.15 3.44 1.57 -1.09 -2.86 116.57 117.78 1nh3 h LYS 333 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1nh3 h LYS 333 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1nh3 h LYS 333 CO 0.00 0.00 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.74 1nh3 h LEU 334 N 0.00 -0.17 -1.97 2.94 4.07 -1.74 -3.01 115.31 115.43 1nh3 h LEU 334 Ca 0.00 -0.33 0.37 0.00 0.08 0.00 0.00 57.88 58.00 1nh3 h LEU 334 Cb 0.64 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.37 1nh3 h LEU 334 CO 0.00 0.41 0.91 0.25 -1.08 0.00 0.00 178.44 178.94 1nh3 h LEU 335 N -0.93 0.02 0.18 1.67 6.46 -1.70 0.33 115.31 121.33 1nh3 h LEU 335 Ca -0.02 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.40 1nh3 h LEU 335 Cb 0.48 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1nh3 h LEU 335 CO 0.03 0.00 -1.75 0.11 -0.62 0.00 0.00 178.44 176.21 1nh3 h LYS 336 N 0.01 0.37 0.06 1.25 1.57 -1.64 -3.06 116.57 115.14 1nh3 h LYS 336 Ca 0.61 -0.64 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nh3 h LYS 336 Cb 2.42 0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.97 1nh3 h LYS 336 CO -0.02 1.29 -0.03 1.05 -0.57 0.00 0.00 179.45 181.17 1nh3 h GLU 337 N 0.10 -0.08 -0.01 3.15 -0.00 -0.32 -3.40 114.58 114.02 1nh3 h GLU 337 Ca -0.34 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1nh3 h GLU 337 Cb 2.09 0.02 0.00 0.00 -0.00 0.00 0.00 28.75 30.86 1nh3 h GLU 337 CO 0.17 -0.05 -0.24 0.66 -0.00 0.00 0.00 179.01 179.55 1nh3 n TYR 338 N -3.38 0.00 0.05 2.06 4.01 0.18 -4.37 117.16 115.71 1nh3 n TYR 338 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 1nh3 n TYR 338 Cb 0.03 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 38.87 1nh3 n TYR 338 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1nh3 h GLY 339 N 4.89 0.01 -3.04 2.72 0.00 -1.44 -3.45 103.07 102.76 1nh3 h GLY 339 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 47.33 46.75 1nh3 h GLY 339 CO 0.00 0.03 -0.60 -1.36 0.00 0.00 0.00 176.54 174.61 1nh3 s PHE 340 N -2.69 2.93 -0.03 5.60 0.40 -1.25 -1.29 117.98 121.65 1nh3 s PHE 340 Ca -0.00 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1nh3 s PHE 340 Cb 0.10 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 42.29 1nh3 s PHE 340 CO 0.82 0.55 0.16 0.00 0.70 0.00 0.00 175.22 177.45 1nh3 s ILE 342 N -0.68 4.30 0.00 0.00 -4.36 -1.02 -0.79 121.20 118.65 1nh3 s ILE 342 Ca -0.08 0.92 0.00 0.00 -0.26 0.00 0.00 60.65 61.24 1nh3 s ILE 342 Cb -0.05 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1nh3 s ILE 342 CO 0.01 -0.81 0.00 0.80 0.24 0.00 0.00 174.94 175.18 1nh3 n MET 343 N -2.34 0.00 0.00 0.37 0.00 -1.22 -3.32 117.12 110.62 1nh3 n MET 343 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 1nh3 n MET 343 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.76 1nh3 n MET 343 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1nh3 n ASP 344 N 0.00 0.00 0.00 6.12 8.00 -1.23 -4.64 116.55 124.80 1nh3 n ASP 344 Ca 0.00 0.78 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1nh3 n ASP 344 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1nh3 n ASP 344 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nh3 n ASN 345 N -1.64 0.00 -2.64 -2.24 4.13 -1.26 -5.03 115.26 106.57 1nh3 n ASN 345 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 1nh3 n ASN 345 Cb 0.00 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1nh3 n ASN 345 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1nh3 n HIS 346 N 0.00 -3.01 -3.15 3.10 -0.00 -1.26 -5.09 115.22 105.81 1nh3 n HIS 346 Ca 0.00 -0.45 -0.39 0.00 -0.00 0.00 0.00 57.72 56.88 1nh3 n HIS 346 Cb 0.00 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 29.79 1nh3 n HIS 346 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1nh3 s LYS 347 N -2.76 4.36 0.16 1.57 -2.85 -1.26 -3.37 119.74 115.60 1nh3 s LYS 347 Ca 0.14 0.84 0.06 0.00 -1.00 0.00 0.00 55.97 56.01 1nh3 s LYS 347 Cb -0.01 -3.33 -0.04 0.00 -2.06 0.00 0.00 37.83 32.39 1nh3 s LYS 347 CO 0.09 0.39 0.09 -1.21 0.10 0.00 0.00 175.35 174.81 1nh3 s GLU 348 N -0.32 2.73 0.04 1.78 8.01 0.03 -4.91 118.70 126.05 1nh3 s GLU 348 Ca 0.33 -0.94 -0.20 0.00 0.01 0.00 0.00 54.97 54.17 1nh3 s GLU 348 Cb -0.19 -2.55 -0.06 0.00 -4.31 0.00 0.00 34.13 27.02 1nh3 s GLU 348 CO 0.19 0.48 0.58 0.50 0.01 0.00 0.00 175.26 177.02 1nh3 s ARG 349 N -3.03 4.26 0.04 1.61 3.52 -1.26 -1.21 118.95 122.88 1nh3 s ARG 349 Ca 0.30 0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 56.41 1nh3 s ARG 349 Cb -0.10 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 1nh3 s ARG 349 CO 0.22 0.51 0.66 0.42 -0.81 0.00 0.00 175.30 176.30 1nh3 s ILE 350 N -0.68 4.77 0.15 4.11 1.01 -0.41 -0.69 121.20 129.47 1nh3 s ILE 350 Ca 0.30 1.40 -0.03 0.00 0.00 0.00 0.00 60.65 62.31 1nh3 s ILE 350 Cb -0.19 -4.00 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 1nh3 s ILE 350 CO 0.18 0.43 1.35 0.00 0.00 0.00 0.00 174.94 176.91 1nh3 h ALA 351 N 5.34 0.45 -1.67 9.38 0.00 -1.52 -3.42 119.26 127.82 1nh3 h ALA 351 Ca -0.46 -0.67 -0.47 0.00 0.00 0.00 0.00 54.91 53.32 1nh3 h ALA 351 Cb 1.20 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 1nh3 h ALA 351 CO 0.69 0.80 -1.05 0.27 0.00 0.00 0.00 179.25 179.95 1nh3 n ASN 352 N -3.78 0.05 0.14 0.00 6.94 -1.26 -4.98 115.26 112.37 1nh3 n ASN 352 Ca -0.06 -2.99 0.06 0.00 -0.02 0.00 0.00 54.58 51.57 1nh3 n ASN 352 Cb 0.78 -0.21 0.53 0.00 -2.36 0.00 0.00 39.78 38.52 1nh3 n ASN 352 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1nh3 h PHE 353 N 3.40 0.24 -3.39 -2.53 -5.15 -1.91 -3.41 116.94 104.19 1nh3 h PHE 353 Ca 0.05 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.26 1nh3 h PHE 353 Cb 0.96 -0.08 -0.06 0.00 0.22 0.00 0.00 35.95 36.99 1nh3 h PHE 353 CO 0.39 0.16 0.90 0.15 -2.00 0.00 0.00 178.31 177.91 1nh3 s LYS 354 N -5.23 3.93 0.50 6.09 1.02 -1.26 -2.48 119.74 122.30 1nh3 s LYS 354 Ca -0.06 0.96 -0.23 0.00 0.02 0.00 0.00 55.97 56.65 1nh3 s LYS 354 Cb 0.17 -3.82 -0.07 0.00 -0.52 0.00 0.00 37.83 33.59 1nh3 s LYS 354 CO 0.70 -1.10 1.34 -0.89 -0.92 0.00 0.00 175.35 174.48 1nh3 n ILE 355 N 6.25 3.30 -1.57 2.17 2.08 0.12 -4.89 119.36 126.80 1nh3 n ILE 355 Ca 0.13 -0.50 -0.45 0.00 0.56 0.00 0.00 62.75 62.49 1nh3 n ILE 355 Cb 0.48 -1.67 -0.04 0.00 -0.75 0.00 0.00 39.64 37.66 1nh3 n ILE 355 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1nh3 n GLU 356 N -0.58 1.84 -2.11 0.38 1.02 -1.26 -4.66 120.64 115.26 1nh3 n GLU 356 Ca 0.08 0.53 -0.39 0.00 -0.02 0.00 0.00 57.16 57.37 1nh3 n GLU 356 Cb 0.43 -3.03 -0.00 0.00 -0.02 0.00 0.00 31.44 28.82 1nh3 n GLU 356 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1nh3 s PRO 357 N 6.10 3.84 0.65 3.49 0.02 -1.26 -4.64 135.00 143.20 1nh3 s PRO 357 Ca 1.02 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.88 1nh3 s PRO 357 Cb -0.47 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 1nh3 s PRO 357 CO 0.39 -0.55 1.11 -0.35 -0.33 0.00 0.00 177.00 177.27 1nh3 n PRO 358 N -0.15 0.89 0.00 5.54 -0.04 -1.26 -4.94 135.00 135.04 1nh3 n PRO 358 Ca 0.05 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1nh3 n PRO 358 Cb 0.45 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1nh3 n PRO 358 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nh3 n GLY 359 N 1.09 1.35 3.60 0.55 0.00 -1.15 -5.01 105.19 105.61 1nh3 n GLY 359 Ca 0.15 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1nh3 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nh3 s LEU 360 N 0.00 2.88 -0.48 0.99 1.43 -1.26 -2.77 118.68 119.46 1nh3 s LEU 360 Ca 0.00 -1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 51.76 1nh3 s LEU 360 Cb 0.00 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 45.09 1nh3 s LEU 360 CO 0.00 -0.26 0.75 0.12 0.23 0.00 0.00 176.35 177.19 1nh3 s PHE 361 N -2.58 2.98 -1.28 0.29 2.19 -1.24 -4.93 117.98 113.42 1nh3 s PHE 361 Ca 0.34 -0.10 -0.06 0.00 0.33 0.00 0.00 56.93 57.44 1nh3 s PHE 361 Cb 0.02 -3.65 0.16 0.00 -1.31 0.00 0.00 43.02 38.24 1nh3 s PHE 361 CO 0.18 -1.05 2.18 0.54 1.83 0.00 0.00 175.22 178.90 1nh3 n ARG 362 N 6.65 4.44 -2.55 10.12 5.12 -1.26 -2.48 116.66 136.71 1nh3 n ARG 362 Ca -0.01 -3.63 -0.33 0.00 -1.93 0.00 0.00 57.85 51.95 1nh3 n ARG 362 Cb 0.47 -2.68 -0.04 0.00 -1.16 0.00 0.00 32.46 29.05 1nh3 n ARG 362 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1nh3 s GLY 363 N 0.23 2.40 0.69 -0.13 0.00 -1.26 -5.05 107.32 104.20 1nh3 s GLY 363 Ca 0.48 0.50 -0.11 0.00 0.00 0.00 0.00 44.72 45.59 1nh3 s GLY 363 CO -0.07 0.80 1.07 0.50 0.00 0.00 0.00 173.10 175.41 1nh3 s ARG 364 N -3.38 2.92 2.70 2.90 3.00 -1.26 -4.72 118.95 121.11 1nh3 s ARG 364 Ca 0.65 0.43 0.00 0.00 0.00 0.00 0.00 55.73 56.81 1nh3 s ARG 364 Cb -0.14 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.76 1nh3 s ARG 364 CO 0.21 -0.96 0.00 0.41 0.00 0.00 0.00 175.30 174.95 1nh3 n GLY 365 N -2.94 0.39 2.43 -3.53 0.00 -1.26 -2.26 105.19 98.02 1nh3 n GLY 365 Ca 0.07 0.70 -0.17 0.00 0.00 0.00 0.00 46.02 46.62 1nh3 n GLY 365 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nh3 n ASN 366 N 6.25 1.63 -4.62 1.61 0.23 -1.26 -5.10 115.26 114.00 1nh3 n ASN 366 Ca 0.00 -3.03 -0.43 0.00 -0.53 0.00 0.00 54.58 50.59 1nh3 n ASN 366 Cb 0.00 -0.58 -0.02 0.00 -2.08 0.00 0.00 39.78 37.10 1nh3 n ASN 366 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1nh3 s HIS 367 N -2.82 2.36 -0.96 -2.53 5.65 -0.96 -4.69 115.29 111.35 1nh3 s HIS 367 Ca 0.38 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.38 1nh3 s HIS 367 Cb 0.38 -4.09 0.00 0.00 -1.18 0.00 0.00 32.58 27.69 1nh3 s HIS 367 CO -0.06 -2.22 0.91 -0.35 -0.65 0.00 0.00 174.74 172.38 1nh3 n PRO 368 N 7.79 0.00 -0.44 2.88 -0.04 -1.26 -1.99 135.00 141.93 1nh3 n PRO 368 Ca 0.17 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 64.11 1nh3 n PRO 368 Cb 0.47 -1.55 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 1nh3 n PRO 368 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nh3 n LYS 369 N -1.41 1.64 -2.87 0.54 5.02 -1.26 -5.03 118.16 114.78 1nh3 n LYS 369 Ca 0.00 -3.00 -0.40 0.00 -2.02 0.00 0.00 58.31 52.89 1nh3 n LYS 369 Cb 0.05 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 1nh3 n LYS 369 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nh3 s MET 370 N -3.08 4.60 0.00 1.97 0.23 -0.84 -3.91 119.30 118.27 1nh3 s MET 370 Ca 0.37 1.25 0.00 0.00 -1.03 0.00 0.00 55.69 56.28 1nh3 s MET 370 Cb 0.34 -3.35 0.00 0.00 -1.53 0.00 0.00 34.83 30.29 1nh3 s MET 370 CO -0.01 0.31 0.00 0.41 -2.03 0.00 0.00 175.02 173.70 1nh3 n GLY 371 N 2.18 1.11 3.91 3.16 0.00 -1.03 -4.34 105.19 110.16 1nh3 n GLY 371 Ca -0.01 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1nh3 n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nh3 s MET 372 N -2.58 3.33 -0.61 1.61 1.00 -1.25 -3.57 119.30 117.22 1nh3 s MET 372 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 55.69 54.79 1nh3 s MET 372 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 34.83 31.91 1nh3 s MET 372 CO 0.00 0.53 1.69 -1.17 0.00 0.00 0.00 175.02 176.07 1nh3 s LEU 373 N -3.10 3.29 -1.27 -0.03 2.96 -1.26 -3.63 118.68 115.64 1nh3 s LEU 373 Ca 0.34 0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 1nh3 s LEU 373 Cb -0.11 -2.67 0.17 0.00 0.50 0.00 0.00 46.19 44.08 1nh3 s LEU 373 CO 0.27 -2.15 1.81 1.17 -1.32 0.00 0.00 176.35 176.14 1nh3 n LYS 374 N 9.10 3.62 -0.86 1.98 4.81 -1.11 -4.81 118.16 130.88 1nh3 n LYS 374 Ca 0.16 -3.59 -0.34 0.00 -0.87 0.00 0.00 58.31 53.67 1nh3 n LYS 374 Cb 0.51 -2.93 0.09 0.00 0.02 0.00 0.00 35.03 32.73 1nh3 n LYS 374 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1nh3 n ARG 375 N 4.00 -0.24 -2.11 1.64 1.85 -1.26 -2.93 116.66 117.61 1nh3 n ARG 375 Ca 0.39 -0.04 -0.42 0.00 -1.00 0.00 0.00 57.85 56.78 1nh3 n ARG 375 Cb 0.37 -1.54 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 1nh3 n ARG 375 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1nh3 s ARG 376 N -3.05 4.27 -0.16 2.89 3.52 -1.26 -4.62 118.95 120.55 1nh3 s ARG 376 Ca 0.51 2.13 -0.29 0.00 -0.13 0.00 0.00 55.73 57.94 1nh3 s ARG 376 Cb -0.19 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1nh3 s ARG 376 CO 0.73 -0.55 1.15 0.42 -0.81 0.00 0.00 175.30 176.24 1nh3 s ILE 377 N 1.74 4.46 0.32 4.11 -1.09 -1.26 -5.02 121.20 124.45 1nh3 s ILE 377 Ca 0.67 1.76 -0.03 0.00 -2.23 0.00 0.00 60.65 60.82 1nh3 s ILE 377 Cb -0.37 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 1nh3 s ILE 377 CO 0.30 -0.11 0.57 -0.04 -1.23 0.00 0.00 174.94 174.43 1nh3 s MET 378 N 3.00 3.57 0.28 2.79 -1.94 -1.26 -4.98 119.30 120.76 1nh3 s MET 378 Ca 0.51 -0.11 0.16 0.00 -1.71 0.00 0.00 55.69 54.55 1nh3 s MET 378 Cb -0.20 -2.63 0.89 0.00 2.01 0.00 0.00 34.83 34.89 1nh3 s MET 378 CO 0.14 0.16 1.46 -2.30 -0.01 0.00 0.00 175.02 174.47 1nh3 n PRO 379 N -1.34 0.11 0.00 2.03 -0.02 -1.26 -1.92 135.00 132.60 1nh3 n PRO 379 Ca -0.03 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 1nh3 n PRO 379 Cb 0.55 -1.94 0.45 0.00 -0.02 0.00 0.00 33.50 32.54 1nh3 n PRO 379 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nh3 n GLU 380 N -2.09 1.15 0.02 -0.52 4.71 -1.17 -3.68 120.64 119.07 1nh3 n GLU 380 Ca -0.01 -0.66 0.11 0.00 -0.01 0.00 0.00 57.16 56.59 1nh3 n GLU 380 Cb 0.11 -1.49 -0.12 0.00 -1.01 0.00 0.00 31.44 28.94 1nh3 n GLU 380 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1nh3 n ASP 381 N -0.35 0.28 -4.76 1.62 8.00 -0.81 -3.11 116.55 117.41 1nh3 n ASP 381 Ca 0.15 0.04 -0.40 0.00 0.71 0.00 0.00 54.79 55.29 1nh3 n ASP 381 Cb 0.35 1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 42.93 1nh3 n ASP 381 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nh3 s ILE 382 N -3.45 3.35 -0.20 0.53 -1.09 -1.24 -4.46 121.20 114.63 1nh3 s ILE 382 Ca -0.05 1.27 0.01 0.00 -2.23 0.00 0.00 60.65 59.65 1nh3 s ILE 382 Cb 0.13 -3.78 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1nh3 s ILE 382 CO 0.87 0.24 -0.08 -0.63 -1.23 0.00 0.00 174.94 174.12 1nh3 s ILE 383 N -1.26 1.53 0.09 2.92 1.01 -0.06 -0.90 121.20 124.52 1nh3 s ILE 383 Ca 0.49 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1nh3 s ILE 383 Cb -0.32 -1.67 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 1nh3 s ILE 383 CO 0.41 0.08 0.60 -0.63 0.00 0.00 0.00 174.94 175.40 1nh3 s ILE 384 N 1.43 4.68 -0.11 2.92 -1.09 -1.18 -2.06 121.20 125.80 1nh3 s ILE 384 Ca -0.02 1.29 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 1nh3 s ILE 384 Cb -0.17 -3.94 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1nh3 s ILE 384 CO -0.07 0.54 -0.13 0.21 -1.23 0.00 0.00 174.94 174.26 1nh3 s ASN 385 N -1.13 2.32 -0.30 3.58 2.47 0.12 -1.60 114.94 120.40 1nh3 s ASN 385 Ca 0.30 -0.39 -0.38 0.00 0.42 0.00 0.00 52.86 52.81 1nh3 s ASN 385 Cb -0.20 -1.02 0.16 0.00 -1.45 0.00 0.00 41.25 38.75 1nh3 s ASN 385 CO 0.20 -0.01 1.40 0.00 -3.72 0.00 0.00 177.10 174.96 1nh3 n SER 387 N 0.06 2.27 -0.46 0.00 3.41 -1.18 -4.24 113.62 113.48 1nh3 n SER 387 Ca 0.05 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1nh3 n SER 387 Cb 0.56 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1nh3 n SER 387 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nh3 n LYS 388 N -0.75 0.87 -2.45 4.33 0.00 -1.26 -2.99 118.16 115.92 1nh3 n LYS 388 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.42 1nh3 n LYS 388 Cb 0.44 -1.40 0.04 0.00 0.00 0.00 0.00 35.03 34.11 1nh3 n LYS 388 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1nh3 n ASP 389 N 0.01 1.48 -4.35 3.14 5.75 -1.26 -5.09 116.55 116.23 1nh3 n ASP 389 Ca 0.00 -2.06 -0.18 0.00 -0.01 0.00 0.00 54.79 52.54 1nh3 n ASP 389 Cb 0.20 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 1nh3 n ASP 389 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nh3 s ALA 390 N -2.77 1.90 -0.76 2.12 0.00 -1.16 -5.09 121.76 115.99 1nh3 s ALA 390 Ca 0.29 -1.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 1nh3 s ALA 390 Cb 0.34 0.66 0.05 0.00 0.00 0.00 0.00 23.12 24.17 1nh3 s ALA 390 CO -0.07 -0.31 1.20 0.21 0.00 0.00 0.00 175.76 176.78 1nh3 s LYS 391 N -3.91 3.24 0.25 0.00 2.20 -1.26 -5.00 119.74 115.26 1nh3 s LYS 391 Ca 0.32 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1nh3 s LYS 391 Cb 0.07 -4.40 -0.09 0.00 -1.51 0.00 0.00 37.83 31.90 1nh3 s LYS 391 CO 0.11 -2.03 1.31 0.08 -0.36 0.00 0.00 175.35 174.46 1nh3 s VAL 392 N 4.94 2.99 0.14 4.02 1.01 -1.26 -4.78 120.40 127.47 1nh3 s VAL 392 Ca 0.32 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1nh3 s VAL 392 Cb -0.09 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1nh3 s VAL 392 CO 0.09 0.16 1.81 -2.65 0.00 0.00 0.00 175.10 174.52 1nh3 n PRO 393 N 1.90 2.79 -2.15 2.72 -0.02 -1.26 -4.95 135.00 134.04 1nh3 n PRO 393 Ca 0.04 1.01 -0.43 0.00 -2.02 0.00 0.00 63.50 62.10 1nh3 n PRO 393 Cb 0.42 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 30.98 1nh3 n PRO 393 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1nh3 s SER 394 N 2.37 6.49 0.29 2.55 0.01 -1.26 -4.98 113.70 119.17 1nh3 s SER 394 Ca 0.80 1.69 -0.30 0.00 1.31 0.00 0.00 55.95 59.46 1nh3 s SER 394 Cb -0.49 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.08 1nh3 s SER 394 CO 0.36 -1.15 1.43 -2.65 0.41 0.00 0.00 173.24 171.64 1nh3 n PRO 395 N 7.46 2.27 -1.64 12.44 -0.02 -1.26 -4.90 135.00 149.35 1nh3 n PRO 395 Ca 0.18 0.80 -0.51 0.00 -2.02 0.00 0.00 63.50 61.96 1nh3 n PRO 395 Cb 0.45 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1nh3 n PRO 395 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nh3 n PRO 396 N 1.62 1.53 0.00 0.52 -0.02 -1.26 -4.63 135.00 132.76 1nh3 n PRO 396 Ca 0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1nh3 n PRO 396 Cb 0.34 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1nh3 n PRO 396 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nh3 n PRO 397 N 3.53 0.00 0.00 0.52 -0.02 -1.26 -1.80 135.00 135.97 1nh3 n PRO 397 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1nh3 n PRO 397 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 1nh3 n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nh3 n GLY 398 N 0.00 2.59 3.82 -1.23 0.00 -1.26 -5.07 105.19 104.04 1nh3 n GLY 398 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1nh3 n GLY 398 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nh3 s HIS 399 N -2.56 3.22 0.52 1.61 3.76 -0.74 -5.14 115.29 115.96 1nh3 s HIS 399 Ca 0.00 0.02 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 1nh3 s HIS 399 Cb 0.00 -1.56 0.05 0.00 1.11 0.00 0.00 32.58 32.19 1nh3 s HIS 399 CO 0.00 0.52 0.65 0.15 -0.85 0.00 0.00 174.74 175.21 1nh3 s LYS 400 N -3.03 2.46 0.53 1.40 1.02 -1.26 -4.50 119.74 116.36 1nh3 s LYS 400 Ca 0.31 -1.57 0.09 0.00 0.02 0.00 0.00 55.97 54.82 1nh3 s LYS 400 Cb -0.11 -2.59 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 1nh3 s LYS 400 CO 0.24 -0.62 0.70 -1.58 -0.92 0.00 0.00 175.35 173.18 1nh3 s TRP 401 N -2.58 1.79 -0.09 3.18 0.23 -1.26 -3.02 118.94 117.20 1nh3 s TRP 401 Ca 0.56 -0.65 -0.20 0.00 -2.03 0.00 0.00 56.10 53.78 1nh3 s TRP 401 Cb -0.06 -2.23 -0.16 0.00 0.03 0.00 0.00 33.47 31.05 1nh3 s TRP 401 CO 0.34 -0.91 0.70 -0.22 0.96 0.00 0.00 176.95 177.83 1nh3 h LYS 402 N 0.35 -0.10 -3.10 4.98 3.64 -0.96 -3.45 116.57 117.93 1nh3 h LYS 402 Ca -0.33 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1nh3 h LYS 402 Cb 1.29 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1nh3 h LYS 402 CO 0.43 0.43 0.21 -2.00 -2.27 0.00 0.00 179.45 176.25 1nh3 s GLU 403 N -2.76 2.02 -0.03 1.90 2.12 -1.24 -5.07 118.70 115.64 1nh3 s GLU 403 Ca -0.12 -1.28 -0.00 0.00 0.36 0.00 0.00 54.97 53.92 1nh3 s GLU 403 Cb -0.01 0.60 0.03 0.00 0.26 0.00 0.00 34.13 35.01 1nh3 s GLU 403 CO 0.46 -0.93 0.02 0.08 -0.54 0.00 0.00 175.26 174.36 1nh3 s VAL 404 N -3.03 0.02 0.05 3.70 1.01 -1.26 -3.11 120.40 117.78 1nh3 s VAL 404 Ca 0.15 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.41 1nh3 s VAL 404 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1nh3 s VAL 404 CO 0.10 0.13 -0.19 0.00 0.00 0.00 0.00 175.10 175.14 1nh3 s ARG 405 N 1.26 1.26 -0.69 2.72 1.70 -0.63 -5.00 118.95 119.57 1nh3 s ARG 405 Ca -0.07 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.28 1nh3 s ARG 405 Cb -0.13 -1.36 0.38 0.00 -0.57 0.00 0.00 34.95 33.26 1nh3 s ARG 405 CO -0.03 0.34 1.65 0.72 -1.08 0.00 0.00 175.30 176.90 1nh3 n HIS 406 N 1.79 3.16 -2.82 5.89 8.25 -1.26 -2.76 115.22 127.47 1nh3 n HIS 406 Ca -0.18 -2.67 -0.43 0.00 -0.26 0.00 0.00 57.72 54.19 1nh3 n HIS 406 Cb 0.54 -0.75 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 1nh3 n HIS 406 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nh3 s ASP 407 N -2.08 6.43 0.00 0.41 2.15 -1.26 -4.92 116.67 117.40 1nh3 s ASP 407 Ca 0.50 -0.07 0.29 0.00 0.43 0.00 0.00 52.55 53.69 1nh3 s ASP 407 Cb 0.41 -2.45 1.19 0.00 -0.30 0.00 0.00 42.92 41.77 1nh3 s ASP 407 CO -0.32 -1.13 1.82 -0.46 -0.17 0.00 0.00 175.17 174.91 1nh3 n ASN 408 N 7.31 1.25 -0.58 -0.34 0.23 -1.26 -3.91 115.26 117.97 1nh3 n ASN 408 Ca 0.04 -1.41 0.09 0.00 -0.53 0.00 0.00 54.58 52.77 1nh3 n ASN 408 Cb 0.48 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.47 1nh3 n ASN 408 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1nh3 n LYS 409 N -0.03 1.75 -4.40 -3.83 4.01 -1.26 -0.68 118.16 113.72 1nh3 n LYS 409 Ca 0.20 -1.14 -0.27 0.00 -0.51 0.00 0.00 58.31 56.59 1nh3 n LYS 409 Cb 0.32 -1.34 -0.12 0.00 -0.51 0.00 0.00 35.03 33.38 1nh3 n LYS 409 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1nh3 s VAL 410 N -1.69 2.47 -1.36 -0.18 -7.23 -1.25 -4.71 120.40 106.44 1nh3 s VAL 410 Ca 0.29 -1.94 0.26 0.00 -1.81 0.00 0.00 61.98 58.78 1nh3 s VAL 410 Cb 0.15 -2.18 0.16 0.00 0.56 0.00 0.00 36.38 35.07 1nh3 s VAL 410 CO 0.22 -0.09 1.54 0.35 -0.31 0.00 0.00 175.10 176.81 1nh3 n THR 411 N 0.31 0.00 -3.49 5.32 -2.24 -1.26 -4.82 114.28 108.10 1nh3 n THR 411 Ca -0.13 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 1nh3 n THR 411 Cb 0.55 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1nh3 n THR 411 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1nh3 s TRP 412 N -2.75 3.49 -0.18 4.78 1.48 -1.26 -4.62 118.94 119.88 1nh3 s TRP 412 Ca 0.18 0.37 0.00 0.00 -1.06 0.00 0.00 56.10 55.60 1nh3 s TRP 412 Cb 0.18 -1.90 -0.12 0.00 -1.16 0.00 0.00 33.47 30.48 1nh3 s TRP 412 CO 0.60 0.22 -0.17 1.28 -4.06 0.00 0.00 176.95 174.82 1nh3 n LEU 413 N -1.32 2.81 -3.97 -4.66 4.77 -0.70 -4.77 117.00 109.17 1nh3 n LEU 413 Ca -0.04 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 1nh3 n LEU 413 Cb 0.55 -0.63 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 1nh3 n LEU 413 CO 0.48 0.76 -0.37 -0.69 -1.33 0.00 0.00 177.39 176.25 1nh3 s VAL 414 N -2.36 0.14 -0.10 4.08 1.01 -1.24 0.16 120.40 122.09 1nh3 s VAL 414 Ca -0.25 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 1nh3 s VAL 414 Cb 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.25 1nh3 s VAL 414 CO 0.41 -0.40 0.64 -0.94 0.00 0.00 0.00 175.10 174.80 1nh3 s SER 415 N -1.23 -0.62 0.31 3.32 1.04 -0.87 -0.94 113.70 114.70 1nh3 s SER 415 Ca -0.13 0.81 0.05 0.00 0.48 0.00 0.00 55.95 57.17 1nh3 s SER 415 Cb -0.08 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 1nh3 s SER 415 CO -0.01 -0.49 0.19 -2.67 0.98 0.00 0.00 173.24 171.24 1nh3 n TRP 416 N 1.41 -0.37 -4.87 5.02 2.14 -0.83 -0.88 117.44 119.07 1nh3 n TRP 416 Ca -0.18 -2.32 -0.32 0.00 2.07 0.00 0.00 57.50 56.75 1nh3 n TRP 416 Cb 0.56 0.15 -0.13 0.00 -0.81 0.00 0.00 31.31 31.08 1nh3 n TRP 416 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1nh3 s THR 417 N -3.03 2.89 -0.14 -1.67 2.01 -1.26 -1.71 115.64 112.72 1nh3 s THR 417 Ca 0.28 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 61.16 1nh3 s THR 417 Cb 0.01 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1nh3 s THR 417 CO 0.19 0.52 0.71 -0.70 -0.69 0.00 0.00 174.62 174.65 1nh3 s GLU 418 N -0.92 4.31 0.53 4.92 2.12 0.03 -4.93 118.70 124.77 1nh3 s GLU 418 Ca 0.12 0.81 0.30 0.00 0.36 0.00 0.00 54.97 56.57 1nh3 s GLU 418 Cb -0.11 -3.53 1.45 0.00 0.26 0.00 0.00 34.13 32.20 1nh3 s GLU 418 CO 0.02 -0.16 2.04 -2.95 -0.54 0.00 0.00 175.26 173.67 1nh3 h ASN 419 N 7.18 0.00 0.00 -1.70 -1.07 -1.93 -2.32 115.58 115.74 1nh3 h ASN 419 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.03 1nh3 h ASN 419 Cb 1.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 1nh3 h ASN 419 CO 0.79 0.10 0.00 -0.38 0.07 0.00 0.00 177.43 178.00 1nh3 n ILE 420 N -3.38 0.00 0.03 6.14 5.41 -1.26 -4.59 119.36 121.70 1nh3 n ILE 420 Ca -0.01 0.74 0.03 0.00 1.00 0.00 0.00 62.75 64.51 1nh3 n ILE 420 Cb 0.27 -1.63 -0.09 0.00 -0.71 0.00 0.00 39.64 37.49 1nh3 n ILE 420 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nh3 n GLN 421 N -1.77 0.63 -0.14 0.38 6.02 -1.26 -5.00 117.38 116.25 1nh3 n GLN 421 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1nh3 n GLN 421 Cb 0.00 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.52 1nh3 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nh3 n GLY 422 N 1.37 0.92 3.87 1.08 0.00 -0.87 -5.09 105.19 106.46 1nh3 n GLY 422 Ca -0.09 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1nh3 n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nh3 s SER 423 N -2.07 6.68 -0.15 1.61 1.04 -1.26 -4.78 113.70 114.77 1nh3 s SER 423 Ca 0.00 0.92 -0.21 0.00 0.48 0.00 0.00 55.95 57.14 1nh3 s SER 423 Cb 0.00 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 1nh3 s SER 423 CO 0.00 0.03 0.61 -0.63 0.98 0.00 0.00 173.24 174.23 1nh3 s ILE 424 N -1.62 5.07 -0.12 -1.02 1.09 -1.26 -0.79 121.20 122.55 1nh3 s ILE 424 Ca 0.41 1.19 -0.02 0.00 -1.10 0.00 0.00 60.65 61.13 1nh3 s ILE 424 Cb -0.13 -3.94 -0.03 0.00 -1.06 0.00 0.00 42.46 37.30 1nh3 s ILE 424 CO 0.20 0.19 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.68 1nh3 s LYS 425 N 1.35 3.28 0.38 2.79 1.02 -0.69 -4.97 119.74 122.89 1nh3 s LYS 425 Ca 0.30 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 55.90 1nh3 s LYS 425 Cb -0.16 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1nh3 s LYS 425 CO 0.12 0.49 0.13 0.71 -0.92 0.00 0.00 175.35 175.89 1nh3 s TYR 426 N -0.31 2.61 -0.20 3.18 1.51 -1.26 -1.95 117.35 120.92 1nh3 s TYR 426 Ca 0.06 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1nh3 s TYR 426 Cb -0.12 -1.79 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1nh3 s TYR 426 CO 0.02 0.28 -0.10 0.42 -1.11 0.00 0.00 175.55 175.06 1nh3 s ILE 427 N -2.55 1.68 0.48 2.71 1.01 -0.12 -4.98 121.20 119.43 1nh3 s ILE 427 Ca 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1nh3 s ILE 427 Cb 0.02 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1nh3 s ILE 427 CO 0.22 0.15 0.01 0.23 0.00 0.00 0.00 174.94 175.54 1nh3 n MET 428 N 4.67 0.83 -2.10 2.79 2.81 -1.26 -1.71 117.12 123.15 1nh3 n MET 428 Ca -0.15 -3.51 -0.28 0.00 -1.81 0.00 0.00 57.70 51.95 1nh3 n MET 428 Cb 0.46 0.93 0.15 0.00 -0.71 0.00 0.00 33.22 34.05 1nh3 n MET 428 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nh3 s LEU 429 N 0.00 2.76 0.37 4.03 1.43 -1.26 -1.88 118.68 124.13 1nh3 s LEU 429 Ca 0.00 0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 1nh3 s LEU 429 Cb -0.00 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 1nh3 s LEU 429 CO 0.00 -2.34 1.10 0.21 0.23 0.00 0.00 176.35 175.55 1nh3 s ASN 430 N -4.79 6.79 0.00 2.29 2.47 0.14 -4.07 114.94 117.76 1nh3 s ASN 430 Ca 0.70 2.19 0.00 0.00 0.42 0.00 0.00 52.86 56.16 1nh3 s ASN 430 Cb -0.06 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1nh3 s ASN 430 CO 0.50 -0.48 0.66 -2.65 -3.72 0.00 0.00 177.10 171.41 1nh3 n PRO 431 N 0.25 0.00 0.09 0.43 -0.02 -1.26 -1.28 135.00 133.20 1nh3 n PRO 431 Ca 0.03 0.18 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 1nh3 n PRO 431 Cb 0.48 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.30 1nh3 n PRO 431 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nh3 h SER 432 N 0.00 0.33 -3.52 2.55 4.64 -1.90 -3.39 113.55 112.26 1nh3 h SER 432 Ca 0.00 -0.36 -0.54 0.00 -0.47 0.00 0.00 61.79 60.41 1nh3 h SER 432 Cb 0.03 -0.11 0.20 0.00 -0.31 0.00 0.00 62.40 62.21 1nh3 h SER 432 CO 0.00 1.29 -0.28 -1.20 -0.87 0.00 0.00 176.83 175.77 1nh3 n SER 433 N -3.48 -0.97 0.19 4.97 7.64 -0.41 -4.73 113.62 116.83 1nh3 n SER 433 Ca -0.08 0.50 -0.14 0.00 1.01 0.00 0.00 58.87 60.16 1nh3 n SER 433 Cb 1.01 -1.28 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1nh3 n SER 433 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1nh3 h ARG 434 N -0.92 -0.46 0.00 1.43 2.43 -1.92 0.15 114.38 115.09 1nh3 h ARG 434 Ca -0.45 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 1nh3 h ARG 434 Cb 1.31 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1nh3 h ARG 434 CO 0.40 -0.31 -0.12 0.97 -1.51 0.00 0.00 179.97 179.40 1nh3 h ILE 435 N -0.48 1.01 0.00 1.20 2.10 -1.92 0.44 117.51 119.86 1nh3 h ILE 435 Ca -0.02 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1nh3 h ILE 435 Cb 0.41 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1nh3 h ILE 435 CO 0.01 0.12 -1.09 0.29 -1.08 0.00 0.00 178.15 176.40 1nh3 n LYS 436 N -4.27 0.44 -0.10 2.19 4.76 -1.10 -4.08 118.16 115.99 1nh3 n LYS 436 Ca -0.03 0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1nh3 n LYS 436 Cb 0.20 -1.68 -0.12 0.00 -1.84 0.00 0.00 35.03 31.59 1nh3 n LYS 436 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nh3 n GLY 437 N 1.29 -0.45 0.28 0.72 0.00 0.52 -4.04 105.19 103.50 1nh3 n GLY 437 Ca 0.01 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1nh3 n GLY 437 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nh3 h GLU 438 N -0.28 0.00 0.01 1.61 4.81 -0.35 0.22 114.58 120.60 1nh3 h GLU 438 Ca -0.56 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.46 1nh3 h GLU 438 Cb 1.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 1nh3 h GLU 438 CO -0.14 0.00 -0.92 -0.22 -0.73 0.00 0.00 179.01 177.00 1nh3 h LYS 439 N 0.00 0.24 0.02 1.92 3.64 -1.76 -0.04 116.57 120.58 1nh3 h LYS 439 Ca 0.00 -0.27 -0.22 0.00 -1.27 0.00 0.00 60.65 58.89 1nh3 h LYS 439 Cb 0.01 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1nh3 h LYS 439 CO -0.00 1.00 -1.03 0.22 -2.27 0.00 0.00 179.45 177.37 1nh3 h ASP 440 N 0.13 0.06 -0.26 4.20 3.58 -1.27 -0.42 116.42 122.44 1nh3 h ASP 440 Ca -0.06 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1nh3 h ASP 440 Cb 1.56 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 1nh3 h ASP 440 CO 0.14 1.04 0.03 -0.25 -2.88 0.00 0.00 179.24 177.33 1nh3 h TRP 441 N 0.01 0.47 -0.25 0.28 7.01 -0.57 -1.64 115.95 121.26 1nh3 h TRP 441 Ca -0.03 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 60.84 1nh3 h TRP 441 Cb 1.79 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.71 1nh3 h TRP 441 CO 0.01 0.56 -0.14 0.37 -2.79 0.00 0.00 178.44 176.45 1nh3 h GLN 442 N 0.24 0.42 -0.53 2.65 -0.00 -0.94 0.40 115.11 117.35 1nh3 h GLN 442 Ca 0.08 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1nh3 h GLN 442 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1nh3 h GLN 442 CO 0.01 0.56 0.14 -0.22 0.00 0.00 0.00 178.83 179.32 1nh3 h LYS 443 N 0.39 0.80 0.13 1.69 3.64 -0.41 0.12 116.57 122.93 1nh3 h LYS 443 Ca 0.07 -0.15 -0.28 0.00 -1.27 0.00 0.00 60.65 59.02 1nh3 h LYS 443 Cb 0.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1nh3 h LYS 443 CO 0.03 0.71 -1.29 1.88 -2.27 0.00 0.00 179.45 178.51 1nh3 h TYR 444 N 0.78 0.49 0.00 1.91 0.05 -0.77 -3.11 116.97 116.32 1nh3 h TYR 444 Ca 0.17 -0.36 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 1nh3 h TYR 444 Cb 0.27 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1nh3 h TYR 444 CO 0.02 1.30 -0.22 0.93 -1.05 0.00 0.00 178.16 179.13 1nh3 h GLU 445 N 0.07 0.00 -0.31 4.88 4.39 -0.34 -1.18 114.58 122.09 1nh3 h GLU 445 Ca -0.15 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 1nh3 h GLU 445 Cb 1.98 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1nh3 h GLU 445 CO 0.20 0.22 -0.36 1.15 -1.16 0.00 0.00 179.01 179.06 1nh3 h THR 446 N 0.00 1.29 0.00 1.13 2.02 -0.78 -2.70 112.91 113.88 1nh3 h THR 446 Ca -0.00 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.61 1nh3 h THR 446 Cb 0.48 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1nh3 h THR 446 CO 0.03 0.50 -0.15 0.00 0.37 0.00 0.00 175.52 176.28 1nh3 h ALA 447 N 0.71 1.12 -0.10 6.16 0.00 -1.18 -2.85 119.26 123.13 1nh3 h ALA 447 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nh3 h ALA 447 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nh3 h ALA 447 CO 0.09 0.18 -0.34 0.00 0.00 0.00 0.00 179.25 179.18 1nh3 h ARG 448 N 0.00 0.41 0.00 0.00 3.08 -1.04 -3.07 114.38 113.75 1nh3 h ARG 448 Ca -0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1nh3 h ARG 448 Cb 0.52 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1nh3 h ARG 448 CO 0.02 0.93 0.00 0.54 -1.07 0.00 0.00 179.97 180.39 1nh3 n ARG 449 N -4.38 0.27 -0.01 0.04 1.74 -1.06 -2.59 116.66 110.66 1nh3 n ARG 449 Ca -0.08 0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.89 1nh3 n ARG 449 Cb 0.51 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 1nh3 n ARG 449 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1nh3 h LEU 450 N 0.00 0.33 -0.34 0.55 5.85 -1.50 -3.41 115.31 116.79 1nh3 h LEU 450 Ca 0.00 -0.83 0.08 0.00 0.84 0.00 0.00 57.88 57.97 1nh3 h LEU 450 Cb 0.07 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1nh3 h LEU 450 CO 0.00 1.71 -0.06 1.17 -0.34 0.00 0.00 178.44 180.93 1nh3 n LYS 451 N -3.82 -0.03 0.12 1.25 4.81 -1.07 -0.25 118.16 119.18 1nh3 n LYS 451 Ca -0.30 0.52 -0.24 0.00 -0.87 0.00 0.00 58.31 57.43 1nh3 n LYS 451 Cb 0.93 -0.79 -0.15 0.00 0.02 0.00 0.00 35.03 35.03 1nh3 n LYS 451 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1nh3 h LYS 452 N 0.00 0.47 0.00 1.64 3.11 -1.81 -3.33 116.57 116.66 1nh3 h LYS 452 Ca 0.17 -0.81 0.00 0.00 -2.81 0.00 0.00 60.65 57.20 1nh3 h LYS 452 Cb 0.30 0.30 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1nh3 h LYS 452 CO -0.34 1.38 0.00 0.00 -2.81 0.00 0.00 179.45 177.68 1nh3 h VAL 454 N 0.00 1.27 -0.95 0.00 2.07 -1.40 -2.90 116.25 114.34 1nh3 h VAL 454 Ca 0.00 -0.82 0.25 0.00 0.82 0.00 0.00 66.70 66.95 1nh3 h VAL 454 Cb 0.21 1.75 -0.13 0.00 -1.52 0.00 0.00 31.29 31.59 1nh3 h VAL 454 CO 0.00 0.22 0.46 -0.78 0.02 0.00 0.00 177.57 177.49 1nh3 h ASP 455 N -0.25 0.40 0.85 0.57 -0.00 -1.80 0.15 116.42 116.33 1nh3 h ASP 455 Ca 0.01 0.17 -0.12 0.00 -0.00 0.00 0.00 57.03 57.08 1nh3 h ASP 455 Cb 0.36 0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.80 1nh3 h ASP 455 CO 0.00 -0.04 -0.58 0.50 -0.00 0.00 0.00 179.24 179.12 1nh3 h LYS 456 N 0.39 0.00 -0.11 0.28 3.64 -1.78 -2.94 116.57 116.06 1nh3 h LYS 456 Ca 0.62 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.78 1nh3 h LYS 456 Cb 1.26 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1nh3 h LYS 456 CO -0.56 0.58 -0.79 0.82 -2.27 0.00 0.00 179.45 177.24 1nh3 h ILE 457 N 0.00 1.29 -0.09 2.00 2.04 -0.53 -1.40 117.51 120.82 1nh3 h ILE 457 Ca -0.01 -2.01 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 1nh3 h ILE 457 Cb 1.17 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1nh3 h ILE 457 CO 0.08 0.63 0.00 0.03 0.00 0.00 0.00 178.15 178.89 1nh3 h ARG 458 N 0.43 0.16 0.00 2.37 3.08 -1.40 0.15 114.38 119.17 1nh3 h ARG 458 Ca -0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1nh3 h ARG 458 Cb 1.43 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 1nh3 h ARG 458 CO 0.16 0.41 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.40 1nh3 h ASN 459 N -0.10 0.00 0.32 7.04 2.35 -1.59 0.16 115.58 123.75 1nh3 h ASN 459 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1nh3 h ASN 459 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1nh3 h ASN 459 CO 0.00 0.16 -0.15 0.06 -1.65 0.00 0.00 177.43 175.85 1nh3 h GLN 460 N 0.00 -0.41 0.00 0.81 -0.00 -0.79 -2.71 115.11 112.01 1nh3 h GLN 460 Ca -0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 58.65 58.55 1nh3 h GLN 460 Cb 0.29 0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 27.85 1nh3 h GLN 460 CO 0.02 -0.08 -0.61 0.10 -0.00 0.00 0.00 178.83 178.26 1nh3 h TYR 461 N -0.86 0.00 -0.07 0.06 -0.00 -0.53 -2.76 116.97 112.81 1nh3 h TYR 461 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.66 1nh3 h TYR 461 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 1nh3 h TYR 461 CO 0.03 0.61 -0.10 0.00 -0.00 0.00 0.00 178.16 178.70 1nh3 h ARG 462 N 0.00 0.10 -0.01 0.10 2.47 -0.75 -1.81 114.38 114.47 1nh3 h ARG 462 Ca -0.01 -0.02 -0.21 0.00 -1.26 0.00 0.00 59.98 58.48 1nh3 h ARG 462 Cb 1.12 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 29.44 1nh3 h ARG 462 CO 0.08 0.20 -0.82 1.05 0.56 0.00 0.00 179.97 181.04 1nh3 h GLU 463 N 0.10 0.58 0.00 0.04 9.09 -1.29 -3.18 114.58 119.92 1nh3 h GLU 463 Ca 0.02 -0.61 0.00 0.00 0.05 0.00 0.00 59.36 58.82 1nh3 h GLU 463 Cb 0.24 0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1nh3 h GLU 463 CO 0.01 1.22 0.00 -0.25 0.05 0.00 0.00 179.01 180.05 1nh3 n ASP 464 N -4.03 0.00 0.06 3.06 9.92 -0.69 -2.00 116.55 122.87 1nh3 n ASP 464 Ca -0.10 0.12 -0.15 0.00 -0.53 0.00 0.00 54.79 54.12 1nh3 n ASP 464 Cb 0.78 -0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 41.01 1nh3 n ASP 464 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1nh3 h TRP 465 N 0.00 0.73 -0.91 1.24 6.55 -1.51 -3.25 115.95 118.81 1nh3 h TRP 465 Ca 0.00 -0.40 -0.58 0.00 0.95 0.00 0.00 58.89 58.86 1nh3 h TRP 465 Cb 0.02 -0.08 -0.27 0.00 -0.86 0.00 0.00 29.16 27.97 1nh3 h TRP 465 CO 0.00 1.22 0.75 1.63 -1.05 0.00 0.00 178.44 180.99 1nh3 n LYS 466 N -3.78 2.43 -1.33 0.49 4.01 -0.85 -4.95 118.16 114.20 1nh3 n LYS 466 Ca -0.08 -2.92 -0.26 0.00 -0.51 0.00 0.00 58.31 54.54 1nh3 n LYS 466 Cb 0.85 -2.14 0.20 0.00 -0.51 0.00 0.00 35.03 33.42 1nh3 n LYS 466 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1nh3 n SER 467 N -0.77 -0.87 -0.00 4.39 2.88 -1.23 -5.03 113.62 112.99 1nh3 n SER 467 Ca 0.56 -1.27 0.06 0.00 -1.33 0.00 0.00 58.87 56.90 1nh3 n SER 467 Cb 0.88 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 63.36 1nh3 n SER 467 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1nh3 n LYS 468 N -3.93 0.95 -4.40 -1.46 0.00 -1.26 -5.00 118.16 103.05 1nh3 n LYS 468 Ca 0.14 -0.09 -0.27 0.00 -0.00 0.00 0.00 58.31 58.09 1nh3 n LYS 468 Cb 0.51 -1.25 -0.12 0.00 -0.00 0.00 0.00 35.03 34.17 1nh3 n LYS 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1nh3 s GLU 469 N -2.73 1.45 0.00 -1.58 2.12 -1.26 -5.07 118.70 111.64 1nh3 s GLU 469 Ca -0.03 -1.46 0.00 0.00 0.36 0.00 0.00 54.97 53.85 1nh3 s GLU 469 Cb 0.08 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.66 1nh3 s GLU 469 CO 0.53 0.40 0.35 -0.12 -0.54 0.00 0.00 175.26 175.88 1nh3 n MET 470 N 0.48 0.00 0.23 4.30 0.00 -1.26 -1.20 117.12 119.68 1nh3 n MET 470 Ca -0.14 0.30 0.14 0.00 0.00 0.00 0.00 57.70 57.99 1nh3 n MET 470 Cb 0.55 -0.85 0.56 0.00 0.00 0.00 0.00 33.22 33.48 1nh3 n MET 470 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1nh3 h LYS 471 N 0.00 0.00 0.05 2.12 6.56 -1.99 -0.04 116.57 123.27 1nh3 h LYS 471 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1nh3 h LYS 471 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1nh3 h LYS 471 CO 0.00 0.00 -0.80 0.28 -2.06 0.00 0.00 179.45 176.87 1nh3 h VAL 472 N 0.00 1.33 -0.18 0.50 2.07 -1.86 -2.47 116.25 115.63 1nh3 h VAL 472 Ca 0.09 -2.34 -0.08 0.00 0.82 0.00 0.00 66.70 65.19 1nh3 h VAL 472 Cb 1.32 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.97 1nh3 h VAL 472 CO -0.00 0.57 -0.23 0.03 0.02 0.00 0.00 177.57 177.95 1nh3 h ARG 473 N -0.74 0.33 -0.20 1.57 3.08 0.40 -2.86 114.38 115.97 1nh3 h ARG 473 Ca -0.19 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1nh3 h ARG 473 Cb 1.36 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1nh3 h ARG 473 CO -0.02 0.55 -0.02 1.96 -1.07 0.00 0.00 179.97 181.37 1nh3 h GLN 474 N 0.30 0.36 0.02 0.04 1.08 -1.19 -3.18 115.11 112.54 1nh3 h GLN 474 Ca 0.05 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1nh3 h GLN 474 Cb 0.58 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.94 1nh3 h GLN 474 CO 0.04 0.59 -0.50 -0.09 -0.95 0.00 0.00 178.83 177.92 1nh3 h ARG 475 N 0.10 -0.62 -0.57 1.46 2.43 -1.22 -3.08 114.38 112.88 1nh3 h ARG 475 Ca 0.05 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1nh3 h ARG 475 Cb 0.44 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 1nh3 h ARG 475 CO 0.01 -0.41 0.14 0.00 -1.51 0.00 0.00 179.97 178.21 1nh3 h ALA 476 N -0.53 0.68 -0.47 2.80 0.00 -1.57 -2.51 119.26 117.66 1nh3 h ALA 476 Ca 0.01 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1nh3 h ALA 476 Cb 0.68 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1nh3 h ALA 476 CO -0.32 -0.28 0.13 0.28 0.00 0.00 0.00 179.25 179.06 1nh3 h VAL 477 N 0.29 0.79 -0.49 0.00 2.07 -1.52 -0.95 116.25 116.44 1nh3 h VAL 477 Ca 0.29 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1nh3 h VAL 477 Cb 0.41 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1nh3 h VAL 477 CO -0.36 0.05 0.31 0.00 0.02 0.00 0.00 177.57 177.59 1nh3 h ALA 478 N 1.34 0.62 0.00 1.67 0.00 -1.42 -1.29 119.26 120.18 1nh3 h ALA 478 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1nh3 h ALA 478 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nh3 h ALA 478 CO -0.27 0.08 -0.09 1.25 0.00 0.00 0.00 179.25 180.22 1nh3 h LEU 479 N 0.66 0.00 -0.25 0.00 5.85 -0.91 -0.68 115.31 119.97 1nh3 h LEU 479 Ca 0.18 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 1nh3 h LEU 479 Cb -0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nh3 h LEU 479 CO -0.04 0.09 -0.51 0.22 -0.34 0.00 0.00 178.44 177.86 1nh3 h TYR 480 N 0.00 1.00 -0.25 1.25 3.20 -0.03 -1.90 116.97 120.25 1nh3 h TYR 480 Ca -0.00 -0.36 -0.11 0.00 3.14 0.00 0.00 58.73 61.39 1nh3 h TYR 480 Cb 0.23 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1nh3 h TYR 480 CO 0.00 1.17 -0.29 0.74 -1.64 0.00 0.00 178.16 178.14 1nh3 h PHE 481 N 0.54 0.78 0.00 -3.82 0.04 -0.79 -0.45 116.94 113.24 1nh3 h PHE 481 Ca 0.01 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 1nh3 h PHE 481 Cb 1.12 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.11 1nh3 h PHE 481 CO 0.08 0.98 -0.12 0.82 -0.60 0.00 0.00 178.31 179.47 1nh3 h ILE 482 N 0.35 0.41 0.04 -0.55 2.04 -1.32 0.20 117.51 118.68 1nh3 h ILE 482 Ca 0.03 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1nh3 h ILE 482 Cb 0.86 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1nh3 h ILE 482 CO 0.07 0.11 -0.02 -0.78 0.00 0.00 0.00 178.15 177.53 1nh3 h ASP 483 N 0.00 -0.04 0.00 1.72 1.82 -1.07 -3.35 116.42 115.49 1nh3 h ASP 483 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1nh3 h ASP 483 Cb 0.44 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1nh3 h ASP 483 CO 0.01 0.46 0.00 0.29 -1.61 0.00 0.00 179.24 178.39 1nh3 n LYS 484 N -4.81 0.00 0.16 0.28 4.76 -0.20 -4.11 118.16 114.23 1nh3 n LYS 484 Ca -0.01 0.39 0.09 0.00 -2.87 0.00 0.00 58.31 55.91 1nh3 n LYS 484 Cb 0.03 -1.11 0.49 0.00 -1.84 0.00 0.00 35.03 32.59 1nh3 n LYS 484 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nh3 n LEU 485 N -1.66 0.46 -3.28 -0.35 7.99 0.68 -4.84 117.00 116.00 1nh3 n LEU 485 Ca 0.00 0.67 -0.19 0.00 -0.01 0.00 0.00 56.01 56.48 1nh3 n LEU 485 Cb 0.00 -0.69 0.08 0.00 -0.11 0.00 0.00 43.42 42.69 1nh3 n LEU 485 CO 0.00 -0.83 0.18 0.00 -1.51 0.00 0.00 177.39 175.23 1nh3 n ALA 486 N -1.69 -1.45 -2.05 -1.18 0.00 -1.14 -5.00 120.51 108.00 1nh3 n ALA 486 Ca -0.01 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1nh3 n ALA 486 Cb 0.15 -3.98 0.02 0.00 0.00 0.00 0.00 19.45 15.63 1nh3 n ALA 486 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nh3 s LEU 487 N -6.45 3.32 0.44 0.00 1.43 -1.25 -5.01 118.68 111.16 1nh3 s LEU 487 Ca 0.33 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 1nh3 s LEU 487 Cb -0.14 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1nh3 s LEU 487 CO 0.67 -0.88 0.64 -0.13 0.23 0.00 0.00 176.35 176.88 1nh3 s ARG 488 N -5.02 2.97 -0.01 1.70 0.52 -1.26 -4.77 118.95 113.08 1nh3 s ARG 488 Ca 0.53 -0.69 -0.21 0.00 -0.52 0.00 0.00 55.73 54.85 1nh3 s ARG 488 Cb -0.11 -2.61 -0.24 0.00 0.52 0.00 0.00 34.95 32.52 1nh3 s ARG 488 CO 0.49 -0.28 1.08 0.00 0.02 0.00 0.00 175.30 176.60 1nh3 h ALA 489 N 0.45 0.06 -4.15 2.13 0.00 -1.95 0.73 119.26 116.53 1nh3 h ALA 489 Ca -0.45 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1nh3 h ALA 489 Cb 1.26 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1nh3 h ALA 489 CO 0.55 0.31 -0.75 0.41 0.00 0.00 0.00 179.25 179.77 1nh3 n GLY 490 N 1.10 -4.01 3.96 0.00 0.00 -1.26 0.17 105.19 105.15 1nh3 n GLY 490 Ca -0.10 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 1nh3 n GLY 490 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nh3 s ASN 491 N -0.61 3.44 -0.09 1.61 0.02 -1.26 -3.13 114.94 114.92 1nh3 s ASN 491 Ca -0.09 -0.08 -0.29 0.00 -1.02 0.00 0.00 52.86 51.37 1nh3 s ASN 491 Cb 0.01 -0.02 -0.06 0.00 0.02 0.00 0.00 41.25 41.19 1nh3 s ASN 491 CO 0.45 -2.49 1.88 -1.61 0.02 0.00 0.00 177.10 175.34 1nh3 s GLU 492 N -5.63 3.88 0.22 -0.60 0.41 -1.26 -4.84 118.70 110.89 1nh3 s GLU 492 Ca 0.73 2.21 0.02 0.00 -0.41 0.00 0.00 54.97 57.51 1nh3 s GLU 492 Cb -0.03 -4.14 -0.03 0.00 -1.78 0.00 0.00 34.13 28.14 1nh3 s GLU 492 CO 0.50 -1.23 0.38 0.15 -0.49 0.00 0.00 175.26 174.57 1nh3 s LYS 493 N 4.79 3.47 -0.47 1.61 1.02 -1.26 -5.07 119.74 123.83 1nh3 s LYS 493 Ca 0.84 -0.55 -0.18 0.00 0.02 0.00 0.00 55.97 56.10 1nh3 s LYS 493 Cb -0.35 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1nh3 s LYS 493 CO 0.35 0.40 0.55 -1.21 -0.92 0.00 0.00 175.35 174.52 1nh3 s GLU 494 N -3.69 3.12 -0.56 1.68 0.41 -1.26 -5.02 118.70 113.39 1nh3 s GLU 494 Ca 0.36 -0.82 -0.28 0.00 -0.41 0.00 0.00 54.97 53.82 1nh3 s GLU 494 Cb -0.10 -4.04 0.03 0.00 -1.78 0.00 0.00 34.13 28.24 1nh3 s GLU 494 CO 0.30 -1.06 1.24 -1.21 -0.49 0.00 0.00 175.26 174.04 1nh3 s GLU 495 N 2.42 3.50 0.00 1.61 0.41 -1.26 -1.09 118.70 124.29 1nh3 s GLU 495 Ca 0.14 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 1nh3 s GLU 495 Cb -0.18 -4.02 0.00 0.00 -1.78 0.00 0.00 34.13 28.14 1nh3 s GLU 495 CO 0.13 -1.69 0.00 0.41 -0.49 0.00 0.00 175.26 173.62 1nh3 n GLY 496 N 5.08 1.95 0.16 -1.39 0.00 -1.26 -4.91 105.19 104.81 1nh3 n GLY 496 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1nh3 n GLY 496 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nh3 n GLU 497 N 0.00 0.59 -4.65 1.61 0.00 -0.84 -4.84 120.64 112.50 1nh3 n GLU 497 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 57.16 57.08 1nh3 n GLU 497 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 29.89 1nh3 n GLU 497 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1nh3 s THR 498 N -2.49 1.07 0.76 6.31 -4.23 -0.25 -4.53 115.64 112.29 1nh3 s THR 498 Ca -0.36 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.04 1nh3 s THR 498 Cb 0.13 -2.35 0.05 0.00 1.34 0.00 0.00 72.50 71.67 1nh3 s THR 498 CO 0.50 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.67 1nh3 s ALA 499 N -2.99 2.31 -1.00 3.99 0.00 -1.26 -4.61 121.76 118.20 1nh3 s ALA 499 Ca 0.16 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1nh3 s ALA 499 Cb 0.03 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 20.03 1nh3 s ALA 499 CO 0.09 -1.70 1.20 0.34 0.00 0.00 0.00 175.76 175.68 1nh3 s ASP 500 N -3.45 6.74 0.42 0.00 3.68 -1.26 -4.96 116.67 117.85 1nh3 s ASP 500 Ca 0.61 -2.29 0.07 0.00 2.13 0.00 0.00 52.55 53.07 1nh3 s ASP 500 Cb -0.17 -2.40 -0.03 0.00 -1.45 0.00 0.00 42.92 38.87 1nh3 s ASP 500 CO 0.56 -0.98 0.28 0.42 0.13 0.00 0.00 175.17 175.58 1nh3 s THR 501 N 2.36 2.42 -0.11 1.71 -4.23 -1.26 -4.89 115.64 111.65 1nh3 s THR 501 Ca 0.35 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1nh3 s THR 501 Cb -0.04 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1nh3 s THR 501 CO -0.07 0.00 0.29 0.68 -0.54 0.00 0.00 174.62 174.98 1nh3 s VAL 502 N -2.56 0.00 0.00 2.29 -7.23 -1.10 -5.03 120.40 106.78 1nh3 s VAL 502 Ca 0.44 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.59 1nh3 s VAL 502 Cb 0.00 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1nh3 s VAL 502 CO 0.25 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1nh3 n GLY 503 N 2.88 3.71 0.14 2.32 0.00 -1.26 -4.50 105.19 108.48 1nh3 n GLY 503 Ca -0.13 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 1nh3 n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh3 n SER 506 N -3.86 0.83 -4.76 0.00 3.41 -1.18 -4.69 113.62 103.36 1nh3 n SER 506 Ca -0.03 -1.74 -0.39 0.00 -0.26 0.00 0.00 58.87 56.45 1nh3 n SER 506 Cb 0.63 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1nh3 n SER 506 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nh3 s LEU 507 N -1.34 4.08 0.34 1.04 1.43 -1.17 -4.72 118.68 118.34 1nh3 s LEU 507 Ca 0.22 2.84 0.09 0.00 -1.03 0.00 0.00 54.13 56.25 1nh3 s LEU 507 Cb 0.11 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 1nh3 s LEU 507 CO 0.17 -1.19 0.01 -0.13 0.23 0.00 0.00 176.35 175.44 1nh3 s ARG 508 N -2.50 2.07 0.14 1.70 0.52 -1.26 -1.97 118.95 117.65 1nh3 s ARG 508 Ca 0.62 -1.75 -0.19 0.00 -0.52 0.00 0.00 55.73 53.89 1nh3 s ARG 508 Cb -0.42 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1nh3 s ARG 508 CO 0.53 0.14 1.70 0.28 0.02 0.00 0.00 175.30 177.97 1nh3 h VAL 509 N 1.82 0.76 0.00 3.52 2.07 -1.69 -2.10 116.25 120.64 1nh3 h VAL 509 Ca -0.43 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nh3 h VAL 509 Cb 1.25 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1nh3 h VAL 509 CO 0.67 0.00 0.10 1.05 0.02 0.00 0.00 177.57 179.41 1nh3 h GLU 510 N 0.03 0.00 0.00 1.57 4.11 -1.83 -2.25 114.58 116.20 1nh3 h GLU 510 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1nh3 h GLU 510 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nh3 h GLU 510 CO -0.25 0.00 -0.31 0.72 0.07 0.00 0.00 179.01 179.24 1nh3 n HIS 511 N -2.55 0.56 -4.73 2.06 8.25 -0.79 -4.85 115.22 113.17 1nh3 n HIS 511 Ca -0.02 0.16 -0.23 0.00 -0.26 0.00 0.00 57.72 57.37 1nh3 n HIS 511 Cb 0.14 -0.69 -0.15 0.00 1.12 0.00 0.00 29.99 30.41 1nh3 n HIS 511 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1nh3 s ILE 512 N -3.10 1.22 -0.06 1.59 -4.36 -0.85 -2.50 121.20 113.14 1nh3 s ILE 512 Ca 0.09 -0.66 0.04 0.00 -0.26 0.00 0.00 60.65 59.87 1nh3 s ILE 512 Cb 0.14 -1.02 -0.00 0.00 1.25 0.00 0.00 42.46 42.83 1nh3 s ILE 512 CO 0.65 0.35 -0.19 0.20 0.24 0.00 0.00 174.94 176.19 1nh3 s ASN 513 N -0.33 2.47 -0.10 4.36 0.01 -1.08 -4.99 114.94 115.29 1nh3 s ASN 513 Ca 0.05 -0.42 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1nh3 s ASN 513 Cb -0.06 -0.85 -0.00 0.00 0.41 0.00 0.00 41.25 40.74 1nh3 s ASN 513 CO -0.00 0.15 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.76 1nh3 s LEU 514 N 0.16 2.21 -0.08 0.60 1.02 -1.26 -0.89 118.68 120.44 1nh3 s LEU 514 Ca -0.09 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.58 1nh3 s LEU 514 Cb -0.14 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.64 1nh3 s LEU 514 CO 0.04 0.17 -0.13 -1.00 0.02 0.00 0.00 176.35 175.45 1nh3 s HIS 515 N 0.28 1.60 0.25 0.29 3.76 -0.45 -5.04 115.29 115.99 1nh3 s HIS 515 Ca -0.16 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.09 1nh3 s HIS 515 Cb -0.17 -1.17 0.32 0.00 1.11 0.00 0.00 32.58 32.67 1nh3 s HIS 515 CO 0.08 -0.32 1.77 -1.35 -0.85 0.00 0.00 174.74 174.06 1nh3 h PRO 516 N 7.07 0.85 -2.92 8.40 0.11 -1.95 0.05 132.00 143.62 1nh3 h PRO 516 Ca -0.30 -0.21 -0.29 0.00 0.11 0.00 0.00 66.00 65.30 1nh3 h PRO 516 Cb 1.19 -0.11 -0.36 0.00 0.11 0.00 0.00 31.00 31.83 1nh3 h PRO 516 CO 0.47 0.82 -0.62 -1.83 -0.21 0.00 0.00 178.00 176.63 1nh3 s GLU 517 N -5.08 0.09 -0.14 1.05 4.04 -1.26 0.19 118.70 117.58 1nh3 s GLU 517 Ca -0.10 0.48 -0.07 0.00 0.04 0.00 0.00 54.97 55.32 1nh3 s GLU 517 Cb 0.15 -0.53 0.06 0.00 0.02 0.00 0.00 34.13 33.83 1nh3 s GLU 517 CO 0.81 -0.40 0.32 -1.17 -1.84 0.00 0.00 175.26 172.99 1nh3 s LEU 518 N 2.31 0.06 -1.38 1.83 2.96 0.34 -4.92 118.68 119.88 1nh3 s LEU 518 Ca 0.04 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 54.57 1nh3 s LEU 518 Cb -0.13 1.01 0.03 0.00 0.50 0.00 0.00 46.19 47.60 1nh3 s LEU 518 CO -0.08 -0.19 1.06 0.47 -1.32 0.00 0.00 176.35 176.30 1nh3 n ASP 519 N 4.45 -4.88 0.00 3.68 8.00 -1.26 -2.36 116.55 124.19 1nh3 n ASP 519 Ca -0.21 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1nh3 n ASP 519 Cb 0.53 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 1nh3 n ASP 519 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nh3 n GLY 520 N -1.76 1.66 3.65 0.44 0.00 -1.26 -5.00 105.19 102.91 1nh3 n GLY 520 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1nh3 n GLY 520 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nh3 s GLN 521 N -0.05 2.59 0.05 1.61 -0.21 -1.00 -5.13 119.66 117.51 1nh3 s GLN 521 Ca 0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 1nh3 s GLN 521 Cb 0.00 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.41 1nh3 s GLN 521 CO 0.00 0.58 0.29 -1.21 -2.12 0.00 0.00 175.29 172.83 1nh3 s GLU 522 N -1.86 3.59 -0.56 2.91 2.02 -1.26 -0.51 118.70 123.03 1nh3 s GLU 522 Ca 0.21 -0.10 -0.12 0.00 0.02 0.00 0.00 54.97 54.98 1nh3 s GLU 522 Cb -0.11 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 31.11 1nh3 s GLU 522 CO 0.13 0.60 0.64 0.66 0.02 0.00 0.00 175.26 177.31 1nh3 n TYR 523 N 0.81 -3.13 -4.67 1.61 4.01 0.13 -4.52 117.16 111.40 1nh3 n TYR 523 Ca -0.09 1.25 -0.34 0.00 -0.16 0.00 0.00 57.90 58.57 1nh3 n TYR 523 Cb 0.52 -3.74 -0.12 0.00 -0.31 0.00 0.00 39.34 35.70 1nh3 n TYR 523 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nh3 s VAL 524 N -2.63 3.58 -0.10 -0.72 1.01 0.00 -0.81 120.40 120.74 1nh3 s VAL 524 Ca 0.17 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1nh3 s VAL 524 Cb -0.04 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1nh3 s VAL 524 CO 0.79 0.59 -0.20 -0.69 0.00 0.00 0.00 175.10 175.59 1nh3 s VAL 525 N -0.72 2.50 -0.40 2.92 1.01 -0.15 -1.34 120.40 124.22 1nh3 s VAL 525 Ca 0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1nh3 s VAL 525 Cb -0.11 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.37 1nh3 s VAL 525 CO 0.01 0.55 0.20 -0.70 0.00 0.00 0.00 175.10 175.16 1nh3 s GLU 526 N 0.15 2.34 -0.18 2.72 2.12 -0.07 -0.73 118.70 125.06 1nh3 s GLU 526 Ca -0.11 -1.57 -0.23 0.00 0.36 0.00 0.00 54.97 53.42 1nh3 s GLU 526 Cb -0.16 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 1nh3 s GLU 526 CO 0.06 -0.95 0.74 -0.06 -0.54 0.00 0.00 175.26 174.52 1nh3 s PHE 527 N 1.28 3.41 -0.27 5.30 0.40 -0.77 -2.63 117.98 124.70 1nh3 s PHE 527 Ca 0.04 1.12 -0.03 0.00 -0.60 0.00 0.00 56.93 57.46 1nh3 s PHE 527 Cb -0.22 -2.92 0.09 0.00 0.51 0.00 0.00 43.02 40.48 1nh3 s PHE 527 CO -0.01 -0.20 0.10 0.34 0.70 0.00 0.00 175.22 176.15 1nh3 s ASP 528 N 1.16 3.44 0.29 1.36 2.15 -1.04 -3.00 116.67 121.02 1nh3 s ASP 528 Ca 0.34 -1.24 -0.20 0.00 0.43 0.00 0.00 52.55 51.88 1nh3 s ASP 528 Cb -0.16 -0.52 0.04 0.00 -0.30 0.00 0.00 42.92 41.98 1nh3 s ASP 528 CO 0.12 -0.40 0.80 0.72 -0.17 0.00 0.00 175.17 176.24 1nh3 s PHE 529 N 1.94 -0.07 -0.26 -5.34 -0.12 -1.04 -4.63 117.98 108.47 1nh3 s PHE 529 Ca 0.07 -0.43 -0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1nh3 s PHE 529 Cb -0.16 0.74 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1nh3 s PHE 529 CO -0.26 -1.25 -0.01 -0.51 -0.05 0.00 0.00 175.22 173.13 1nh3 s LEU 530 N -3.01 3.34 0.00 -1.99 1.43 -1.26 0.12 118.68 117.31 1nh3 s LEU 530 Ca 0.13 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1nh3 s LEU 530 Cb -0.05 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1nh3 s LEU 530 CO 0.07 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1nh3 n GLY 531 N 4.76 1.21 3.71 -3.19 0.00 -0.22 -2.71 105.19 108.75 1nh3 n GLY 531 Ca -0.16 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1nh3 n GLY 531 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nh3 s LYS 532 N 1.40 4.34 -0.02 1.61 2.20 -1.26 -2.05 119.74 125.97 1nh3 s LYS 532 Ca 0.00 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1nh3 s LYS 532 Cb 0.00 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1nh3 s LYS 532 CO 0.00 -0.41 0.00 -0.25 -0.36 0.00 0.00 175.35 174.33 1nh3 n ASP 533 N 4.03 -3.03 -2.17 1.43 9.92 -1.26 -5.73 116.55 119.74 1nh3 n ASP 533 Ca 0.11 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.17 1nh3 n ASP 533 Cb 0.43 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.34 1nh3 n ASP 533 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1nh3 n SER 534 N 1.05 -5.73 -4.61 -2.24 7.64 -0.87 -4.70 113.62 104.16 1nh3 n SER 534 Ca -0.00 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 1nh3 n SER 534 Cb 0.01 -4.81 -0.04 0.00 -1.01 0.00 0.00 64.21 58.36 1nh3 n SER 534 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1nh3 s ILE 535 N -2.96 4.68 0.08 0.44 1.01 -1.25 -4.69 121.20 118.50 1nh3 s ILE 535 Ca 0.00 1.29 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 1nh3 s ILE 535 Cb 0.00 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 1nh3 s ILE 535 CO 0.00 -0.38 1.90 0.00 0.00 0.00 0.00 174.94 176.46 1nh3 s ARG 536 N 3.24 4.14 -0.25 2.79 1.70 -1.26 -1.05 118.95 128.25 1nh3 s ARG 536 Ca 0.36 2.61 -0.11 0.00 -0.47 0.00 0.00 55.73 58.13 1nh3 s ARG 536 Cb -0.13 -3.86 -0.05 0.00 -0.57 0.00 0.00 34.95 30.34 1nh3 s ARG 536 CO 0.15 -0.90 0.17 -0.47 -1.08 0.00 0.00 175.30 173.17 1nh3 s TYR 537 N 3.56 3.29 -0.05 5.89 6.14 0.32 -4.91 117.35 131.58 1nh3 s TYR 537 Ca 0.85 0.19 0.00 0.00 0.64 0.00 0.00 57.07 58.75 1nh3 s TYR 537 Cb -0.45 -2.31 0.02 0.00 0.42 0.00 0.00 41.96 39.65 1nh3 s TYR 537 CO 0.39 -0.01 -0.03 -0.47 0.64 0.00 0.00 175.55 176.07 1nh3 s TYR 538 N 1.28 0.73 -0.27 4.97 5.04 -1.25 -2.49 117.35 125.36 1nh3 s TYR 538 Ca 0.07 -0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.37 1nh3 s TYR 538 Cb -0.14 -0.71 0.10 0.00 0.35 0.00 0.00 41.96 41.55 1nh3 s TYR 538 CO 0.07 -0.24 0.62 -0.80 -1.34 0.00 0.00 175.55 173.86 1nh3 s ASN 539 N 1.22 -0.91 -1.16 4.32 0.02 -1.16 -5.01 114.94 112.25 1nh3 s ASN 539 Ca -0.06 1.43 -0.12 0.00 -1.02 0.00 0.00 52.86 53.09 1nh3 s ASN 539 Cb -0.14 1.64 0.22 0.00 0.02 0.00 0.00 41.25 42.99 1nh3 s ASN 539 CO -0.02 -0.23 1.29 -0.54 0.02 0.00 0.00 177.10 177.62 1nh3 s LYS 540 N 2.13 4.15 -0.19 -0.60 1.02 -1.26 -1.84 119.74 123.15 1nh3 s LYS 540 Ca -0.08 -2.88 -0.18 0.00 0.02 0.00 0.00 55.97 52.85 1nh3 s LYS 540 Cb -0.08 -4.83 -0.03 0.00 -0.52 0.00 0.00 37.83 32.36 1nh3 s LYS 540 CO -0.18 -1.52 0.49 0.08 -0.92 0.00 0.00 175.35 173.30 1nh3 s VAL 541 N 0.26 5.13 0.06 3.17 1.01 0.10 -4.84 120.40 125.28 1nh3 s VAL 541 Ca 0.37 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 1nh3 s VAL 541 Cb -0.06 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1nh3 s VAL 541 CO -0.04 0.21 1.06 -2.84 0.00 0.00 0.00 175.10 173.50 1nh3 s PRO 542 N 1.45 4.54 0.19 2.72 0.02 -1.26 -0.98 135.00 141.67 1nh3 s PRO 542 Ca 0.23 1.57 0.01 0.00 0.02 0.00 0.00 61.00 62.84 1nh3 s PRO 542 Cb -0.15 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 30.99 1nh3 s PRO 542 CO 0.09 -0.07 0.09 1.33 -0.33 0.00 0.00 177.00 178.11 1nh3 n VAL 543 N 3.59 0.00 -3.28 3.83 0.24 0.01 -4.97 118.33 117.76 1nh3 n VAL 543 Ca 0.06 -0.80 -0.27 0.00 -2.04 0.00 0.00 64.34 61.29 1nh3 n VAL 543 Cb 0.49 -0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 1nh3 n VAL 543 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nh3 s GLU 544 N -2.74 3.58 0.10 7.34 2.02 -1.26 -4.81 118.70 122.94 1nh3 s GLU 544 Ca 0.07 -0.07 -0.28 0.00 0.02 0.00 0.00 54.97 54.70 1nh3 s GLU 544 Cb -0.01 -2.62 -0.10 0.00 0.10 0.00 0.00 34.13 31.50 1nh3 s GLU 544 CO 0.04 0.15 1.46 -0.22 0.02 0.00 0.00 175.26 176.72 1nh3 h LYS 545 N 1.27 -0.43 -1.02 1.61 3.64 -1.96 -2.86 116.57 116.83 1nh3 h LYS 545 Ca -0.48 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.18 1nh3 h LYS 545 Cb 1.20 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 33.01 1nh3 h LYS 545 CO 0.64 -0.28 0.63 0.00 -2.27 0.00 0.00 179.45 178.17 1nh3 h ARG 546 N -0.44 0.50 -0.11 1.90 3.08 -1.99 -1.86 114.38 115.46 1nh3 h ARG 546 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1nh3 h ARG 546 Cb 0.55 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nh3 h ARG 546 CO -0.41 0.33 -0.01 0.28 -1.07 0.00 0.00 179.97 179.09 1nh3 h VAL 547 N 0.51 1.26 -0.29 2.04 2.07 -1.91 -0.56 116.25 119.39 1nh3 h VAL 547 Ca 0.62 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1nh3 h VAL 547 Cb 1.32 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1nh3 h VAL 547 CO -0.39 0.25 0.07 0.15 0.02 0.00 0.00 177.57 177.66 1nh3 h PHE 548 N -0.08 0.11 -0.86 1.57 3.57 -1.22 0.23 116.94 120.25 1nh3 h PHE 548 Ca 0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1nh3 h PHE 548 Cb 0.38 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1nh3 h PHE 548 CO 0.04 0.03 0.57 0.87 -2.23 0.00 0.00 178.31 177.59 1nh3 h LYS 549 N 0.18 1.12 -0.31 1.11 1.79 -1.24 -0.77 116.57 118.44 1nh3 h LYS 549 Ca 0.13 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.36 1nh3 h LYS 549 Cb 0.13 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1nh3 h LYS 549 CO -0.17 0.74 -0.50 -0.91 -1.08 0.00 0.00 179.45 177.53 1nh3 h ASN 550 N 1.15 0.96 -0.53 0.86 4.21 -0.16 -3.00 115.58 119.07 1nh3 h ASN 550 Ca 0.32 -0.49 -0.04 0.00 1.21 0.00 0.00 56.30 57.30 1nh3 h ASN 550 Cb -0.11 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.80 1nh3 h ASN 550 CO -0.07 1.28 0.19 -0.07 -1.29 0.00 0.00 177.43 177.47 1nh3 h LEU 551 N 0.68 0.75 -0.57 1.61 3.38 0.15 -2.77 115.31 118.54 1nh3 h LEU 551 Ca 0.03 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1nh3 h LEU 551 Cb 1.10 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 1nh3 h LEU 551 CO 0.11 0.73 0.14 1.56 0.09 0.00 0.00 178.44 181.08 1nh3 h GLN 552 N 0.72 0.28 0.00 1.13 4.20 -1.09 -0.99 115.11 119.36 1nh3 h GLN 552 Ca 0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1nh3 h GLN 552 Cb 0.23 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1nh3 h GLN 552 CO -0.01 0.19 0.00 -0.07 -0.67 0.00 0.00 178.83 178.27 1nh3 h LEU 553 N 0.29 0.00 0.00 1.46 4.07 -1.35 -3.08 115.31 116.69 1nh3 h LEU 553 Ca 0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1nh3 h LEU 553 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1nh3 h LEU 553 CO -0.35 0.00 -0.05 -0.26 -1.08 0.00 0.00 178.44 176.70 1nh3 h PHE 554 N 0.00 0.00 0.00 1.13 0.04 -1.17 -3.36 116.94 113.58 1nh3 h PHE 554 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nh3 h PHE 554 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1nh3 h PHE 554 CO 0.00 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.38 1nh3 n MET 555 N -4.22 0.32 -2.62 1.51 2.81 -1.17 -4.48 117.12 109.27 1nh3 n MET 555 Ca -0.01 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.55 1nh3 n MET 555 Cb 0.03 -1.12 -0.04 0.00 -0.71 0.00 0.00 33.22 31.37 1nh3 n MET 555 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1nh3 s GLU 556 N -1.25 3.93 -0.51 0.03 1.03 -1.21 -3.25 118.70 117.46 1nh3 s GLU 556 Ca 0.00 1.28 -0.19 0.00 0.03 0.00 0.00 54.97 56.09 1nh3 s GLU 556 Cb 0.00 -2.12 0.06 0.00 -0.80 0.00 0.00 34.13 31.27 1nh3 s GLU 556 CO 0.00 -0.31 0.60 -0.80 -1.33 0.00 0.00 175.26 173.42 1nh3 s ASN 557 N -2.07 6.21 -0.14 0.83 0.01 -1.26 -4.89 114.94 113.64 1nh3 s ASN 557 Ca 0.66 -0.98 -0.09 0.00 -0.71 0.00 0.00 52.86 51.73 1nh3 s ASN 557 Cb -0.14 -2.28 0.05 0.00 0.41 0.00 0.00 41.25 39.29 1nh3 s ASN 557 CO 0.18 -0.88 0.34 -0.54 -1.51 0.00 0.00 177.10 174.70 1nh3 s LYS 558 N 2.52 0.35 0.19 -0.60 1.02 -1.20 -5.16 119.74 116.86 1nh3 s LYS 558 Ca 0.14 0.60 -0.25 0.00 0.02 0.00 0.00 55.97 56.48 1nh3 s LYS 558 Cb -0.20 0.04 -0.08 0.00 -0.52 0.00 0.00 37.83 37.07 1nh3 s LYS 558 CO 0.11 -0.12 0.79 1.14 -0.92 0.00 0.00 175.35 176.36 1nh3 s GLN 559 N 0.88 4.56 0.42 1.68 1.03 -1.26 -4.98 119.66 121.98 1nh3 s GLN 559 Ca -0.06 1.16 0.23 0.00 0.04 0.00 0.00 55.36 56.74 1nh3 s GLN 559 Cb -0.06 -3.20 1.23 0.00 0.03 0.00 0.00 33.01 31.00 1nh3 s GLN 559 CO -0.06 0.54 1.72 -1.00 -2.54 0.00 0.00 175.29 173.95 1nh3 h PRO 560 N 4.16 0.27 0.00 9.60 0.13 -1.97 -2.26 132.00 141.92 1nh3 h PRO 560 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nh3 h PRO 560 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nh3 h PRO 560 CO 0.66 0.18 0.00 1.05 -0.23 0.00 0.00 178.00 179.66 1nh3 h GLU 561 N 0.27 0.00 -7.40 0.86 9.09 -1.99 -3.10 114.58 112.31 1nh3 h GLU 561 Ca 0.67 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 59.61 1nh3 h GLU 561 Cb 1.89 0.00 0.08 0.00 -1.65 0.00 0.00 28.75 29.07 1nh3 h GLU 561 CO -0.33 0.00 0.31 -0.51 0.05 0.00 0.00 179.01 178.53 1nh3 s ASP 562 N -4.75 4.98 0.91 3.06 1.01 -0.85 -4.98 116.67 116.04 1nh3 s ASP 562 Ca 0.04 0.72 -0.11 0.00 0.71 0.00 0.00 52.55 53.91 1nh3 s ASP 562 Cb 0.09 -1.41 0.14 0.00 1.01 0.00 0.00 42.92 42.75 1nh3 s ASP 562 CO 0.47 -1.55 1.09 -1.81 0.21 0.00 0.00 175.17 173.58 1nh3 s ASP 563 N -4.47 3.29 -0.24 0.27 1.01 -1.26 -3.36 116.67 111.91 1nh3 s ASP 563 Ca 0.59 1.63 -0.17 0.00 0.71 0.00 0.00 52.55 55.32 1nh3 s ASP 563 Cb -0.11 -2.28 -0.13 0.00 1.01 0.00 0.00 42.92 41.41 1nh3 s ASP 563 CO 0.47 -2.77 -0.16 -0.11 0.21 0.00 0.00 175.17 172.81 1nh3 n LEU 564 N -3.98 1.91 -4.46 1.23 7.94 -0.83 -4.37 117.00 114.44 1nh3 n LEU 564 Ca 0.07 0.39 -0.44 0.00 -1.11 0.00 0.00 56.01 54.92 1nh3 n LEU 564 Cb 0.54 -0.86 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1nh3 n LEU 564 CO 0.55 0.32 1.19 -0.36 -1.11 0.00 0.00 177.39 177.97 1nh3 s PHE 565 N -2.48 3.31 0.05 1.96 2.99 -1.26 -4.80 117.98 117.75 1nh3 s PHE 565 Ca -0.33 -1.76 -0.14 0.00 0.00 0.00 0.00 56.93 54.70 1nh3 s PHE 565 Cb 0.10 -4.30 -0.05 0.00 0.00 0.00 0.00 43.02 38.77 1nh3 s PHE 565 CO 0.50 -1.44 1.23 0.38 -0.00 0.00 0.00 175.22 175.89 1nh3 h ASP 566 N 8.01 -0.79 -2.80 1.36 2.03 -1.96 -3.17 116.42 119.10 1nh3 h ASP 566 Ca 0.24 0.10 -0.77 0.00 -0.73 0.00 0.00 57.03 55.87 1nh3 h ASP 566 Cb 0.95 0.32 -0.31 0.00 -0.83 0.00 0.00 39.33 39.46 1nh3 h ASP 566 CO 1.17 -0.18 0.53 -2.11 -1.03 0.00 0.00 179.24 177.63 1nh3 n ARG 567 N -3.83 4.11 -3.64 4.15 0.00 -1.26 -4.95 116.66 111.23 1nh3 n ARG 567 Ca -0.02 -4.58 -0.04 0.00 -0.00 0.00 0.00 57.85 53.21 1nh3 n ARG 567 Cb 0.15 -2.47 -0.07 0.00 -0.00 0.00 0.00 32.46 30.08 1nh3 n ARG 567 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1nh3 s LEU 568 N -2.71 -0.36 0.25 2.89 1.98 -1.20 -4.50 118.68 115.04 1nh3 s LEU 568 Ca 0.33 0.63 -0.09 0.00 -2.89 0.00 0.00 54.13 52.10 1nh3 s LEU 568 Cb 0.06 1.61 -0.01 0.00 0.66 0.00 0.00 46.19 48.51 1nh3 s LEU 568 CO 0.08 -0.10 0.41 0.54 -1.89 0.00 0.00 176.35 175.38 1nh3 s ASN 569 N 0.69 0.08 0.35 3.68 2.20 -1.26 -4.87 114.94 115.81 1nh3 s ASN 569 Ca -0.02 -1.09 0.12 0.00 -0.94 0.00 0.00 52.86 50.93 1nh3 s ASN 569 Cb -0.04 0.55 0.93 0.00 -2.00 0.00 0.00 41.25 40.69 1nh3 s ASN 569 CO -0.11 -1.10 1.78 0.74 -2.94 0.00 0.00 177.10 175.47 1nh3 h THR 570 N 2.31 0.62 -0.03 0.54 2.02 -1.90 -2.62 112.91 113.86 1nh3 h THR 570 Ca -0.28 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 66.72 1nh3 h THR 570 Cb 1.25 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1nh3 h THR 570 CO 0.40 0.10 -0.07 1.23 0.37 0.00 0.00 175.52 177.55 1nh3 h GLY 571 N 0.57 -0.04 1.98 2.16 0.00 -1.99 0.53 103.07 106.28 1nh3 h GLY 571 Ca 0.57 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.92 1nh3 h GLY 571 CO -0.33 -0.08 -0.26 -2.22 0.00 0.00 0.00 176.54 173.65 1nh3 h ILE 572 N -0.10 1.20 0.16 2.60 2.04 -1.90 0.85 117.51 122.36 1nh3 h ILE 572 Ca 0.04 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1nh3 h ILE 572 Cb 0.15 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1nh3 h ILE 572 CO -0.09 0.27 -0.08 0.25 0.00 0.00 0.00 178.15 178.50 1nh3 h LEU 573 N 0.03 -0.18 -1.05 1.44 5.85 -1.21 -2.83 115.31 117.35 1nh3 h LEU 573 Ca 0.00 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 1nh3 h LEU 573 Cb 0.49 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1nh3 h LEU 573 CO 0.04 0.31 -0.48 0.78 -0.34 0.00 0.00 178.44 178.75 1nh3 h ASN 574 N -0.75 0.00 0.12 1.25 2.35 -0.64 -2.01 115.58 115.90 1nh3 h ASN 574 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1nh3 h ASN 574 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1nh3 h ASN 574 CO 0.04 0.48 -0.25 0.50 -1.65 0.00 0.00 177.43 176.54 1nh3 h LYS 575 N 0.00 0.22 0.13 0.81 1.63 -0.88 -1.71 116.57 116.77 1nh3 h LYS 575 Ca -0.00 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1nh3 h LYS 575 Cb 0.84 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1nh3 h LYS 575 CO 0.06 0.47 -0.06 1.25 -3.45 0.00 0.00 179.45 177.71 1nh3 h HIS 576 N 0.20 -0.17 -0.61 1.91 2.76 -1.21 -3.27 115.15 114.77 1nh3 h HIS 576 Ca 0.03 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.38 1nh3 h HIS 576 Cb 0.56 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1nh3 h HIS 576 CO 0.01 0.30 0.45 -0.07 -1.30 0.00 0.00 177.93 177.32 1nh3 h LEU 577 N -0.83 0.00 -0.73 0.26 3.38 -1.08 -0.62 115.31 115.69 1nh3 h LEU 577 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1nh3 h LEU 577 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1nh3 h LEU 577 CO 0.03 0.00 -0.62 1.56 0.09 0.00 0.00 178.44 179.50 1nh3 h GLN 578 N 0.00 0.05 -0.40 1.13 1.08 -1.37 -2.93 115.11 112.68 1nh3 h GLN 578 Ca 0.29 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.31 1nh3 h GLN 578 Cb 1.19 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1nh3 h GLN 578 CO -0.00 0.65 -0.33 -0.44 -0.95 0.00 0.00 178.83 177.77 1nh3 h ASP 579 N 0.04 0.94 0.22 1.46 3.45 -1.17 -3.13 116.42 118.23 1nh3 h ASP 579 Ca -0.01 -0.40 -0.07 0.00 0.43 0.00 0.00 57.03 56.98 1nh3 h ASP 579 Cb 1.10 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1nh3 h ASP 579 CO 0.08 1.18 -0.30 -0.07 -1.57 0.00 0.00 179.24 178.56 1nh3 h LEU 580 N 0.75 0.13 -7.00 1.55 3.38 -1.40 -3.46 115.31 109.26 1nh3 h LEU 580 Ca 0.08 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1nh3 h LEU 580 Cb 0.90 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.45 1nh3 h LEU 580 CO 0.08 0.43 0.44 -0.32 0.09 0.00 0.00 178.44 179.17 1nh3 s MET 581 N -4.36 0.85 -0.23 1.13 0.00 -1.12 -5.12 119.30 110.45 1nh3 s MET 581 Ca -0.04 -0.17 -0.21 0.00 0.00 0.00 0.00 55.69 55.27 1nh3 s MET 581 Cb 0.14 0.39 -0.02 0.00 0.00 0.00 0.00 34.83 35.35 1nh3 s MET 581 CO 0.74 -0.34 0.65 -1.83 0.00 0.00 0.00 175.02 174.23 1nh3 s GLU 582 N -2.58 4.16 0.00 4.11 1.03 -1.26 -3.81 118.70 120.36 1nh3 s GLU 582 Ca 0.02 0.62 0.00 0.00 0.03 0.00 0.00 54.97 55.63 1nh3 s GLU 582 Cb -0.01 -3.62 0.00 0.00 -0.80 0.00 0.00 34.13 29.71 1nh3 s GLU 582 CO -0.05 -0.34 0.00 0.41 -1.33 0.00 0.00 175.26 173.94 1nh3 n GLY 583 N 3.95 0.51 3.68 -3.83 0.00 -1.26 -5.05 105.19 103.19 1nh3 n GLY 583 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1nh3 n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nh3 s LEU 584 N 0.00 4.26 0.21 0.99 2.96 -1.25 -5.01 118.68 120.84 1nh3 s LEU 584 Ca 0.00 1.77 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1nh3 s LEU 584 Cb 0.00 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1nh3 s LEU 584 CO 0.00 -0.60 0.03 0.42 -1.32 0.00 0.00 176.35 174.87 1nh3 s THR 585 N 2.42 0.71 0.34 3.68 -4.23 -1.26 -4.10 115.64 113.19 1nh3 s THR 585 Ca 0.55 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1nh3 s THR 585 Cb -0.24 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.62 1nh3 s THR 585 CO 0.20 -0.31 1.79 0.00 -0.54 0.00 0.00 174.62 175.76 1nh3 h ALA 586 N 2.56 1.84 -0.18 3.99 0.00 -1.94 -1.87 119.26 123.67 1nh3 h ALA 586 Ca -0.37 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1nh3 h ALA 586 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1nh3 h ALA 586 CO 0.62 -0.21 -0.04 1.57 0.00 0.00 0.00 179.25 181.20 1nh3 h LYS 587 N 0.65 0.26 -0.64 0.00 5.09 -1.97 -2.93 116.57 117.04 1nh3 h LYS 587 Ca 0.57 -0.04 0.19 0.00 0.09 0.00 0.00 60.65 61.45 1nh3 h LYS 587 Cb 1.03 -0.04 -0.03 0.00 0.10 0.00 0.00 32.23 33.29 1nh3 h LYS 587 CO -0.34 0.32 0.51 0.28 -2.09 0.00 0.00 179.45 178.13 1nh3 h VAL 588 N 0.26 0.55 -0.60 0.07 2.07 -1.73 0.12 116.25 117.00 1nh3 h VAL 588 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1nh3 h VAL 588 Cb 0.24 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1nh3 h VAL 588 CO 0.01 0.00 0.11 -0.26 0.02 0.00 0.00 177.57 177.45 1nh3 h PHE 589 N 0.00 1.04 -0.24 1.57 -1.00 -1.69 0.29 116.94 116.90 1nh3 h PHE 589 Ca 0.30 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 1nh3 h PHE 589 Cb 1.31 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 1nh3 h PHE 589 CO 0.00 0.89 0.00 0.00 -1.61 0.00 0.00 178.31 177.59 1nh3 h ARG 590 N 0.88 0.36 0.16 1.51 3.08 -1.16 -0.74 114.38 118.47 1nh3 h ARG 590 Ca 0.18 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.87 1nh3 h ARG 590 Cb 0.40 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1nh3 h ARG 590 CO 0.01 0.39 -1.37 1.15 -1.07 0.00 0.00 179.97 179.08 1nh3 h THR 591 N 0.35 1.37 0.29 2.04 2.02 -1.38 -3.22 112.91 114.38 1nh3 h THR 591 Ca 0.08 -2.91 -0.01 0.00 0.77 0.00 0.00 66.41 64.34 1nh3 h THR 591 Cb 0.24 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1nh3 h THR 591 CO 0.01 0.86 -0.14 0.22 0.37 0.00 0.00 175.52 176.83 1nh3 h TYR 592 N 0.09 -0.37 -0.70 3.16 3.20 0.26 -3.11 116.97 119.51 1nh3 h TYR 592 Ca -0.19 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 61.82 1nh3 h TYR 592 Cb 2.04 0.12 -0.13 0.00 1.54 0.00 0.00 36.73 40.30 1nh3 h TYR 592 CO 0.08 -0.23 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.39 1nh3 h ASN 593 N -0.59 -0.47 0.19 -2.11 4.21 -1.35 -1.23 115.58 114.23 1nh3 h ASN 593 Ca -0.04 0.19 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 1nh3 h ASN 593 Cb 0.30 0.37 -0.00 0.00 -1.12 0.00 0.00 38.32 37.87 1nh3 h ASN 593 CO 0.07 -0.19 -0.13 0.00 -1.29 0.00 0.00 177.43 175.88 1nh3 h ALA 594 N 1.68 1.59 0.00 -0.83 0.00 -1.68 -3.15 119.26 116.86 1nh3 h ALA 594 Ca 0.36 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1nh3 h ALA 594 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1nh3 h ALA 594 CO -0.66 0.16 -1.18 0.77 0.00 0.00 0.00 179.25 178.33 1nh3 h SER 595 N 0.00 0.01 0.00 0.00 0.02 -1.18 -3.36 113.55 109.04 1nh3 h SER 595 Ca -0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1nh3 h SER 595 Cb 0.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1nh3 h SER 595 CO 0.02 1.46 0.08 -0.29 -1.14 0.00 0.00 176.83 176.96 1nh3 h ILE 596 N -0.98 0.00 0.54 3.27 6.09 -1.37 -0.22 117.51 124.84 1nh3 h ILE 596 Ca -0.33 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.14 1nh3 h ILE 596 Cb 1.30 0.83 0.01 0.00 0.47 0.00 0.00 36.82 39.42 1nh3 h ILE 596 CO -0.19 0.00 -0.26 0.74 -3.07 0.00 0.00 178.15 175.37 1nh3 h THR 597 N 0.00 0.03 -0.62 2.19 2.02 -1.72 -3.07 112.91 111.74 1nh3 h THR 597 Ca 0.00 -0.48 0.18 0.00 0.77 0.00 0.00 66.41 66.88 1nh3 h THR 597 Cb 0.16 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1nh3 h THR 597 CO 0.00 0.01 0.59 0.25 0.37 0.00 0.00 175.52 176.73 1nh3 h LEU 598 N -1.18 0.00 -0.00 2.58 5.85 -1.18 0.34 115.31 121.72 1nh3 h LEU 598 Ca -0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1nh3 h LEU 598 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1nh3 h LEU 598 CO 0.12 0.00 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.61 1nh3 h GLN 599 N 0.00 0.00 0.00 1.25 5.75 -1.52 0.76 115.11 121.35 1nh3 h GLN 599 Ca 0.29 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.70 1nh3 h GLN 599 Cb 1.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.00 1nh3 h GLN 599 CO -0.00 0.61 -0.44 0.37 -2.65 0.00 0.00 178.83 176.71 1nh3 h GLN 600 N -0.60 0.00 0.14 1.69 5.75 -0.38 -2.85 115.11 118.86 1nh3 h GLN 600 Ca -0.00 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 1nh3 h GLN 600 Cb 0.61 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.18 1nh3 h GLN 600 CO 0.00 0.44 -0.88 1.96 -2.65 0.00 0.00 178.83 177.69 1nh3 h GLN 601 N 0.00 0.35 -0.03 1.69 1.08 -0.81 -3.22 115.11 114.16 1nh3 h GLN 601 Ca -0.00 -0.57 0.00 0.00 -1.45 0.00 0.00 58.65 56.63 1nh3 h GLN 601 Cb 0.83 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1nh3 h GLN 601 CO 0.06 1.26 0.00 1.47 -0.95 0.00 0.00 178.83 180.67 1nh3 n LEU 602 N -4.08 0.03 -0.04 1.46 -0.00 0.26 -2.55 117.00 112.07 1nh3 n LEU 602 Ca -0.14 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.01 55.83 1nh3 n LEU 602 Cb 0.85 -0.01 -0.09 0.00 -0.00 0.00 0.00 43.42 44.17 1nh3 n LEU 602 CO 0.50 0.01 -0.81 1.17 -0.00 0.00 0.00 177.39 178.26 1nh3 n LYS 603 N -0.48 1.79 -0.03 1.47 4.81 -1.09 -4.79 118.16 119.84 1nh3 n LYS 603 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.38 1nh3 n LYS 603 Cb 0.01 -1.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 1nh3 n LYS 603 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1nh3 n GLU 604 N -2.29 2.43 0.03 1.64 2.13 -1.14 -4.73 120.64 118.71 1nh3 n GLU 604 Ca -0.14 0.01 0.09 0.00 0.66 0.00 0.00 57.16 57.77 1nh3 n GLU 604 Cb 0.73 -1.14 0.38 0.00 0.27 0.00 0.00 31.44 31.68 1nh3 n GLU 604 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1nh3 n LEU 605 N -2.32 0.17 -4.70 4.31 4.77 -1.06 -4.71 117.00 113.47 1nh3 n LEU 605 Ca -0.09 0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 56.04 1nh3 n LEU 605 Cb 0.66 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1nh3 n LEU 605 CO 0.10 -0.30 0.23 -0.89 -1.33 0.00 0.00 177.39 175.20 1nh3 s THR 606 N -3.07 5.14 -0.05 -5.08 2.01 -1.26 -4.83 115.64 108.49 1nh3 s THR 606 Ca 0.07 1.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.81 1nh3 s THR 606 Cb 0.10 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1nh3 s THR 606 CO 0.32 0.25 0.85 0.00 -0.69 0.00 0.00 174.62 175.35 1nh3 s ALA 607 N 1.10 3.28 0.07 7.40 0.00 -1.26 -5.00 121.76 127.35 1nh3 s ALA 607 Ca 0.26 0.31 -0.37 0.00 0.00 0.00 0.00 51.96 52.17 1nh3 s ALA 607 Cb -0.15 -3.17 -0.19 0.00 0.00 0.00 0.00 23.12 19.61 1nh3 s ALA 607 CO 0.11 -0.23 1.57 -1.35 0.00 0.00 0.00 175.76 175.85 1nh3 h PRO 608 N 6.84 -1.11 -1.49 0.00 0.11 -1.96 -3.17 132.00 131.22 1nh3 h PRO 608 Ca -0.39 0.08 -0.20 0.00 0.11 0.00 0.00 66.00 65.60 1nh3 h PRO 608 Cb 1.20 0.25 -0.09 0.00 0.11 0.00 0.00 31.00 32.47 1nh3 h PRO 608 CO 0.76 -0.74 0.25 -0.40 -0.21 0.00 0.00 178.00 177.66 1nh3 n ASP 609 N -5.61 5.25 -4.31 -2.05 5.75 -1.26 -4.93 116.55 109.38 1nh3 n ASP 609 Ca -0.14 -2.74 -0.30 0.00 -0.01 0.00 0.00 54.79 51.61 1nh3 n ASP 609 Cb 0.49 -0.94 0.16 0.00 -1.03 0.00 0.00 41.12 39.80 1nh3 n ASP 609 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1nh3 s GLU 610 N -1.13 0.93 0.00 0.11 2.02 -1.20 -5.13 118.70 114.30 1nh3 s GLU 610 Ca 0.19 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1nh3 s GLU 610 Cb 0.15 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1nh3 s GLU 610 CO 0.01 -2.24 0.00 0.09 0.02 0.00 0.00 175.26 173.14 1nh3 n ASN 611 N -3.67 0.14 0.00 -0.19 4.13 -1.26 -5.08 115.26 109.32 1nh3 n ASN 611 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1nh3 n ASN 611 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 1nh3 n ASN 611 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1nh3 n ILE 612 N 0.00 0.00 0.30 2.41 -6.64 -1.26 -4.22 119.36 109.95 1nh3 n ILE 612 Ca 0.00 0.03 0.02 0.00 -1.77 0.00 0.00 62.75 61.04 1nh3 n ILE 612 Cb 0.00 -1.01 0.14 0.00 -1.44 0.00 0.00 39.64 37.32 1nh3 n ILE 612 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1nh3 n PRO 613 N 0.00 0.15 0.00 6.28 -0.02 -1.26 -3.12 135.00 137.03 1nh3 n PRO 613 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1nh3 n PRO 613 Cb 0.00 -1.48 0.72 0.00 -0.02 0.00 0.00 33.50 32.72 1nh3 n PRO 613 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nh3 n ALA 614 N -0.98 2.39 -0.02 3.55 0.00 -1.26 -0.74 120.51 123.46 1nh3 n ALA 614 Ca 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1nh3 n ALA 614 Cb 0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 1nh3 n ALA 614 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nh3 n LYS 615 N -1.02 2.25 0.19 0.00 -0.00 -1.18 -4.45 118.16 113.95 1nh3 n LYS 615 Ca 0.18 0.01 0.13 0.00 -0.00 0.00 0.00 58.31 58.62 1nh3 n LYS 615 Cb 0.09 -1.11 0.29 0.00 -0.00 0.00 0.00 35.03 34.30 1nh3 n LYS 615 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1nh3 h ILE 616 N 0.00 0.00 0.00 0.58 2.04 -1.65 -1.94 117.51 116.54 1nh3 h ILE 616 Ca -0.12 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1nh3 h ILE 616 Cb 1.24 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1nh3 h ILE 616 CO -0.00 0.00 -0.00 0.17 0.00 0.00 0.00 178.15 178.32 1nh3 h LEU 617 N 0.00 0.00 0.00 1.44 -0.00 -1.18 -2.97 115.31 112.61 1nh3 h LEU 617 Ca 0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 1nh3 h LEU 617 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.50 1nh3 h LEU 617 CO 0.00 0.00 -1.54 -1.20 -0.00 0.00 0.00 178.44 175.70 1nh3 n SER 618 N -2.64 0.64 -0.05 0.17 7.64 -0.79 -3.30 113.62 115.28 1nh3 n SER 618 Ca 0.05 0.27 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 1nh3 n SER 618 Cb 0.48 0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 64.16 1nh3 n SER 618 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1nh3 h TYR 619 N 0.00 0.42 0.00 1.43 5.03 -1.27 -1.86 116.97 120.71 1nh3 h TYR 619 Ca -0.16 -0.13 -0.01 0.00 2.58 0.00 0.00 58.73 61.01 1nh3 h TYR 619 Cb 1.48 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.68 1nh3 h TYR 619 CO 0.00 0.77 -0.04 -0.91 -1.32 0.00 0.00 178.16 176.66 1nh3 h ASN 620 N -0.05 0.00 0.37 -2.11 2.35 -1.69 0.20 115.58 114.65 1nh3 h ASN 620 Ca 0.02 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 1nh3 h ASN 620 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1nh3 h ASN 620 CO 0.04 0.04 -0.97 0.03 -1.65 0.00 0.00 177.43 174.91 1nh3 h ARG 621 N 0.00 0.39 0.00 0.81 2.47 -1.51 0.07 114.38 116.61 1nh3 h ARG 621 Ca -0.00 -0.44 -0.20 0.00 -1.26 0.00 0.00 59.98 58.08 1nh3 h ARG 621 Cb 0.58 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.00 1nh3 h ARG 621 CO 0.01 1.12 -0.94 0.00 0.56 0.00 0.00 179.97 180.71 1nh3 h ALA 622 N 0.72 0.39 0.00 0.04 0.00 -0.96 -2.92 119.26 116.54 1nh3 h ALA 622 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1nh3 h ALA 622 Cb 1.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1nh3 h ALA 622 CO 0.17 1.18 0.00 -2.95 0.00 0.00 0.00 179.25 177.65 1nh3 h ASN 623 N 0.00 0.00 0.96 0.00 -1.07 -0.48 -2.80 115.58 112.19 1nh3 h ASN 623 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 1nh3 h ASN 623 Cb 1.72 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.97 1nh3 h ASN 623 CO 0.12 0.00 -1.07 0.03 0.07 0.00 0.00 177.43 176.58 1nh3 h ARG 624 N 0.00 0.00 -4.98 4.14 -0.00 -0.86 -3.43 114.38 109.26 1nh3 h ARG 624 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.91 1nh3 h ARG 624 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.63 1nh3 h ARG 624 CO 0.00 0.08 2.03 0.00 0.00 0.00 0.00 179.97 182.09 1nh3 n ALA 625 N -2.23 3.25 -2.29 0.04 0.00 -1.06 -5.08 120.51 113.14 1nh3 n ALA 625 Ca -0.02 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1nh3 n ALA 625 Cb 0.63 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.51 1nh3 n ALA 625 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nh3 n VAL 626 N 6.50 0.00 0.00 0.00 0.31 -1.26 -5.00 118.33 118.88 1nh3 n VAL 626 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1nh3 n VAL 626 Cb 0.43 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1nh3 n VAL 626 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nh3 n SER 719 N -2.17 0.00 -0.06 4.52 7.64 -1.26 -5.21 113.62 117.08 1nh3 n SER 719 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1nh3 n SER 719 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1nh3 n SER 719 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1nh3 h LYS 720 N 0.61 0.00 -0.61 1.43 3.64 -2.03 -3.40 116.57 116.21 1nh3 h LYS 720 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1nh3 h LYS 720 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1nh3 h LYS 720 CO 0.00 0.39 0.09 1.25 -2.27 0.00 0.00 179.45 178.91 1nh3 h LEU 721 N -1.00 -0.08 -7.80 5.20 5.85 -2.08 -3.40 115.31 112.00 1nh3 h LEU 721 Ca -0.03 0.13 -0.78 0.00 0.84 0.00 0.00 57.88 58.03 1nh3 h LEU 721 Cb 0.49 0.19 -0.27 0.00 0.37 0.00 0.00 40.66 41.44 1nh3 h LEU 721 CO -0.02 -0.03 0.06 0.20 -0.34 0.00 0.00 178.44 178.30 1nh3 s ASN 722 N -5.27 6.62 0.12 1.25 0.01 -1.26 -5.06 114.94 111.35 1nh3 s ASN 722 Ca -0.13 -2.72 0.00 0.00 -0.71 0.00 0.00 52.86 49.30 1nh3 s ASN 722 Cb 0.18 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1nh3 s ASN 722 CO 0.74 -0.55 0.00 0.18 -1.51 0.00 0.00 177.10 175.96 1nh3 n LEU 724 N 3.91 -2.03 -4.64 0.60 4.77 -1.26 -4.89 117.00 113.46 1nh3 n LEU 724 Ca 0.13 0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 56.50 1nh3 n LEU 724 Cb 0.46 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1nh3 n LEU 724 CO 0.33 0.01 0.75 -0.62 -1.33 0.00 0.00 177.39 176.53 1nh3 s ASP 725 N -1.93 6.89 0.59 -1.43 -1.08 -1.26 -4.93 116.67 113.50 1nh3 s ASP 725 Ca 0.00 1.07 0.32 0.00 -0.52 0.00 0.00 52.55 53.42 1nh3 s ASP 725 Cb 0.00 -2.47 1.82 0.00 -1.46 0.00 0.00 42.92 40.81 1nh3 s ASP 725 CO 0.00 -0.62 2.23 1.55 0.52 0.00 0.00 175.17 178.85 1nh3 h PRO 726 N 7.74 0.00 0.00 4.34 0.13 -1.99 -1.96 132.00 140.26 1nh3 h PRO 726 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1nh3 h PRO 726 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1nh3 h PRO 726 CO 0.92 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 1nh3 h ARG 727 N 0.00 0.00 0.24 0.86 3.08 -1.92 0.25 114.38 116.89 1nh3 h ARG 727 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1nh3 h ARG 727 Cb 0.09 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.18 1nh3 h ARG 727 CO 0.00 0.00 -1.54 0.82 -1.07 0.00 0.00 179.97 178.18 1nh3 h ILE 728 N 0.00 1.20 -0.13 2.04 2.04 -1.69 -1.45 117.51 119.52 1nh3 h ILE 728 Ca 0.00 -2.65 -0.09 0.00 1.00 0.00 0.00 64.86 63.12 1nh3 h ILE 728 Cb 0.37 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 1nh3 h ILE 728 CO 0.00 0.82 -0.30 0.74 0.00 0.00 0.00 178.15 179.41 1nh3 h THR 729 N 0.13 1.26 0.00 -0.27 2.02 -1.43 -2.61 112.91 112.01 1nh3 h THR 729 Ca -0.28 -1.26 -0.18 0.00 0.77 0.00 0.00 66.41 65.46 1nh3 h THR 729 Cb 2.15 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 70.03 1nh3 h THR 729 CO 0.25 0.38 -1.14 0.58 0.37 0.00 0.00 175.52 175.96 1nh3 h VAL 730 N 0.23 0.87 -0.10 3.16 2.07 -1.03 -3.06 116.25 118.39 1nh3 h VAL 730 Ca 0.03 -2.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 1nh3 h VAL 730 Cb 0.66 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1nh3 h VAL 730 CO 0.05 0.49 -0.26 0.00 0.02 0.00 0.00 177.57 177.88 1nh3 h ALA 731 N 1.30 1.39 0.01 1.67 0.00 -1.02 -2.34 119.26 120.27 1nh3 h ALA 731 Ca -0.11 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 1nh3 h ALA 731 Cb 1.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1nh3 h ALA 731 CO 0.07 0.43 -1.03 2.35 0.00 0.00 0.00 179.25 181.07 1nh3 h TRP 732 N 0.16 0.05 0.00 0.00 7.01 -1.55 -2.82 115.95 118.82 1nh3 h TRP 732 Ca 0.03 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1nh3 h TRP 732 Cb 0.55 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1nh3 h TRP 732 CO 0.01 1.03 0.00 0.00 -2.79 0.00 0.00 178.44 176.69 1nh3 n LYS 734 N -1.19 1.83 0.10 0.00 5.02 -1.18 -1.63 118.16 121.11 1nh3 n LYS 734 Ca 0.15 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1nh3 n LYS 734 Cb 0.17 -0.83 0.03 0.00 -0.02 0.00 0.00 35.03 34.38 1nh3 n LYS 734 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1nh3 h LYS 735 N 0.00 0.00 0.00 1.97 1.79 -1.48 -3.37 116.57 115.48 1nh3 h LYS 735 Ca 0.00 -0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1nh3 h LYS 735 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1nh3 h LYS 735 CO 0.00 0.80 -1.44 0.91 -1.08 0.00 0.00 179.45 178.64 1nh3 n TRP 736 N -3.59 0.00 0.00 -1.35 7.02 -0.96 -5.08 117.44 113.48 1nh3 n TRP 736 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1nh3 n TRP 736 Cb 0.77 -0.30 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 1nh3 n TRP 736 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1nh3 n GLY 737 N 3.11 0.78 3.45 6.99 0.00 -1.10 -5.06 105.19 113.35 1nh3 n GLY 737 Ca -0.13 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1nh3 n GLY 737 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nh3 s VAL 738 N -1.68 3.62 0.19 1.61 1.01 -0.64 -4.97 120.40 119.55 1nh3 s VAL 738 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.21 1nh3 s VAL 738 Cb 0.00 -2.57 -0.11 0.00 0.00 0.00 0.00 36.38 33.70 1nh3 s VAL 738 CO 0.00 0.50 1.64 -2.84 0.00 0.00 0.00 175.10 174.39 1nh3 s PRO 739 N 0.43 4.17 0.48 2.72 0.02 -1.26 -4.79 135.00 136.76 1nh3 s PRO 739 Ca -0.06 2.48 0.12 0.00 0.02 0.00 0.00 61.00 63.57 1nh3 s PRO 739 Cb -0.15 -3.11 1.10 0.00 0.02 0.00 0.00 34.50 32.37 1nh3 s PRO 739 CO 0.03 -0.67 2.11 -0.84 -0.33 0.00 0.00 177.00 177.31 1nh3 h ILE 740 N 3.88 1.04 0.00 2.83 -0.00 -1.94 -2.67 117.51 120.66 1nh3 h ILE 740 Ca -0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 64.86 64.34 1nh3 h ILE 740 Cb 1.20 0.81 0.00 0.00 -0.00 0.00 0.00 36.82 38.83 1nh3 h ILE 740 CO 0.93 0.04 0.00 -0.33 -0.00 0.00 0.00 178.15 178.79 1nh3 h GLU 741 N 0.22 0.00 0.10 0.16 5.08 -1.92 -1.10 114.58 117.13 1nh3 h GLU 741 Ca 0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 1nh3 h GLU 741 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nh3 h GLU 741 CO -0.01 0.00 -1.18 1.57 -1.00 0.00 0.00 179.01 178.38 1nh3 h LYS 742 N 0.00 0.25 0.00 2.33 -0.00 -1.87 -3.41 116.57 113.87 1nh3 h LYS 742 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1nh3 h LYS 742 Cb 0.14 0.15 0.00 0.00 -0.00 0.00 0.00 32.23 32.52 1nh3 h LYS 742 CO 0.00 1.18 -0.29 -0.89 -0.00 0.00 0.00 179.45 179.45 1nh3 n ILE 743 N -3.54 0.59 -3.36 0.07 -0.00 -0.86 -4.94 119.36 107.32 1nh3 n ILE 743 Ca -0.07 0.37 -0.38 0.00 -0.00 0.00 0.00 62.75 62.67 1nh3 n ILE 743 Cb 0.99 -1.86 -0.08 0.00 -0.00 0.00 0.00 39.64 38.70 1nh3 n ILE 743 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1nh3 s TYR 744 N -1.62 3.36 0.00 1.39 4.12 -0.47 -5.09 117.35 119.04 1nh3 s TYR 744 Ca -0.08 0.61 0.00 0.00 0.02 0.00 0.00 57.07 57.62 1nh3 s TYR 744 Cb 0.01 -2.56 0.00 0.00 -1.52 0.00 0.00 41.96 37.90 1nh3 s TYR 744 CO 0.12 -0.06 0.00 0.27 0.02 0.00 0.00 175.55 175.91 1nh3 n ASN 745 N 4.65 -0.59 -0.31 2.29 0.23 -1.26 -4.13 115.26 116.14 1nh3 n ASN 745 Ca -0.08 -0.56 -0.04 0.00 -0.53 0.00 0.00 54.58 53.38 1nh3 n ASN 745 Cb 0.51 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.29 1nh3 n ASN 745 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1nh3 h LYS 746 N 0.00 1.11 -0.29 -3.83 1.63 -1.96 0.20 116.57 113.43 1nh3 h LYS 746 Ca 0.00 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 1nh3 h LYS 746 Cb 0.00 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.38 1nh3 h LYS 746 CO 0.00 0.76 -0.21 1.15 -3.45 0.00 0.00 179.45 177.70 1nh3 h THR 747 N 1.14 1.30 0.00 1.00 2.02 -2.00 -2.95 112.91 113.42 1nh3 h THR 747 Ca 0.30 -1.34 -0.15 0.00 0.77 0.00 0.00 66.41 65.99 1nh3 h THR 747 Cb -0.10 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1nh3 h THR 747 CO -0.06 0.43 -0.71 1.56 0.37 0.00 0.00 175.52 177.10 1nh3 h GLN 748 N 0.39 0.00 0.00 6.66 4.20 -1.86 -2.79 115.11 121.71 1nh3 h GLN 748 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1nh3 h GLN 748 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1nh3 h GLN 748 CO 0.06 0.71 0.00 0.54 -0.67 0.00 0.00 178.83 179.47 1nh3 n ARG 749 N -3.68 0.93 -0.04 1.46 1.74 0.68 -2.55 116.66 115.20 1nh3 n ARG 749 Ca -0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 1nh3 n ARG 749 Cb 0.70 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 30.54 1nh3 n ARG 749 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nh3 n GLU 750 N -0.97 0.71 0.08 5.56 0.28 -1.06 -3.83 120.64 121.42 1nh3 n GLU 750 Ca 0.21 0.28 -0.17 0.00 -0.16 0.00 0.00 57.16 57.32 1nh3 n GLU 750 Cb 0.10 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.20 1nh3 n GLU 750 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1nh3 h LYS 751 N -0.12 0.49 -0.49 3.44 3.64 -1.53 -3.24 116.57 118.76 1nh3 h LYS 751 Ca -0.45 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.33 1nh3 h LYS 751 Cb 1.90 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1nh3 h LYS 751 CO 0.00 1.23 0.00 0.34 -2.27 0.00 0.00 179.45 178.75 1nh3 n PHE 752 N -3.74 0.63 -0.15 1.91 -0.00 -1.06 -4.51 117.46 110.55 1nh3 n PHE 752 Ca -0.10 -0.27 0.25 0.00 -0.00 0.00 0.00 57.45 57.34 1nh3 n PHE 752 Cb 0.92 -0.09 0.68 0.00 -0.00 0.00 0.00 39.48 40.98 1nh3 n PHE 752 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1nh3 h ALA 753 N 3.42 2.66 -0.03 3.13 0.00 -1.66 -0.51 119.26 126.27 1nh3 h ALA 753 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1nh3 h ALA 753 Cb 0.70 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nh3 h ALA 753 CO 0.07 -0.90 -0.82 0.11 0.00 0.00 0.00 179.25 177.72 1nh3 h TRP 754 N 0.07 0.89 -0.26 0.00 5.08 -1.88 -3.28 115.95 116.57 1nh3 h TRP 754 Ca 0.39 -0.46 -0.07 0.00 1.08 0.00 0.00 58.89 59.83 1nh3 h TRP 754 Cb 1.46 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.49 1nh3 h TRP 754 CO -0.00 1.29 -0.16 0.00 -1.28 0.00 0.00 178.44 178.29 1nh3 h ALA 755 N 0.40 1.24 0.30 0.11 0.00 -1.46 -2.78 119.26 117.08 1nh3 h ALA 755 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1nh3 h ALA 755 Cb 1.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nh3 h ALA 755 CO 0.16 0.49 -0.14 0.82 0.00 0.00 0.00 179.25 180.58 1nh3 h ILE 756 N 0.42 0.71 0.00 0.00 2.04 -1.43 -3.01 117.51 116.24 1nh3 h ILE 756 Ca 0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1nh3 h ILE 756 Cb 0.52 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1nh3 h ILE 756 CO 0.03 0.01 0.00 0.47 0.00 0.00 0.00 178.15 178.67 1nh3 n ASP 757 N -5.25 0.00 -2.65 1.72 9.92 -1.12 -4.01 116.55 115.15 1nh3 n ASP 757 Ca -0.10 -1.25 -0.10 0.00 -0.53 0.00 0.00 54.79 52.82 1nh3 n ASP 757 Cb 0.19 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.70 1nh3 n ASP 757 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1nh3 n MET 758 N -0.86 1.63 -3.69 -1.24 0.00 -1.07 -5.06 117.12 106.84 1nh3 n MET 758 Ca 0.17 -3.49 -0.11 0.00 0.00 0.00 0.00 57.70 54.27 1nh3 n MET 758 Cb 0.08 -1.48 -0.12 0.00 0.00 0.00 0.00 33.22 31.70 1nh3 n MET 758 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nh3 s ALA 759 N -3.34 -0.87 0.00 3.17 0.00 -1.23 -4.96 121.76 114.53 1nh3 s ALA 759 Ca 0.30 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1nh3 s ALA 759 Cb 0.42 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1nh3 s ALA 759 CO -0.00 -0.37 0.00 -0.25 0.00 0.00 0.00 175.76 175.14 1nh3 n ASP 760 N 4.56 0.46 -0.12 0.00 9.92 -1.26 -4.80 116.55 125.31 1nh3 n ASP 760 Ca -0.19 -0.34 0.07 0.00 -0.53 0.00 0.00 54.79 53.80 1nh3 n ASP 760 Cb 0.53 0.00 0.38 0.00 -0.64 0.00 0.00 41.12 41.39 1nh3 n ASP 760 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1nh3 n GLU 761 N -0.26 1.15 -0.49 -1.24 0.00 -1.26 -3.80 120.64 114.74 1nh3 n GLU 761 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 57.16 56.94 1nh3 n GLU 761 Cb 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 31.44 30.21 1nh3 n GLU 761 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1nh3 n ASP 762 N -0.49 0.12 -4.58 -1.84 5.68 -1.26 -4.33 116.55 109.85 1nh3 n ASP 762 Ca 0.11 -2.05 -0.41 0.00 -0.50 0.00 0.00 54.79 51.94 1nh3 n ASP 762 Cb 0.10 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1nh3 n ASP 762 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1nh3 s TYR 763 N -0.13 1.69 -0.13 2.11 5.04 -1.25 -4.96 117.35 119.72 1nh3 s TYR 763 Ca 0.02 0.77 -0.07 0.00 -2.44 0.00 0.00 57.07 55.35 1nh3 s TYR 763 Cb 0.02 -4.07 -0.04 0.00 0.35 0.00 0.00 41.96 38.22 1nh3 s TYR 763 CO -0.00 -2.65 0.13 -1.83 -1.34 0.00 0.00 175.55 169.86 1nh3 s GLU 764 N 6.44 3.52 0.00 4.97 -1.05 -1.26 -4.86 118.70 126.45 1nh3 s GLU 764 Ca 0.76 -0.15 0.18 0.00 -0.15 0.00 0.00 54.97 55.61 1nh3 s GLU 764 Cb -0.18 -3.20 1.08 0.00 -0.44 0.00 0.00 34.13 31.39 1nh3 s GLU 764 CO 0.28 0.71 1.48 0.34 0.95 0.00 0.00 175.26 179.02