#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n9m n GLU 194 N 0.00 0.00 0.04 1.97 1.02 -1.26 -4.55 120.64 117.86 3n9m n GLU 194 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 3n9m n GLU 194 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 3n9m n GLU 194 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3n9m h SER 195 N 0.00 0.83 -1.18 1.62 0.87 -2.03 -3.43 113.55 110.24 3n9m h SER 195 Ca 0.00 -0.64 -0.34 0.00 -1.23 0.00 0.00 61.79 59.58 3n9m h SER 195 Cb 0.00 -0.25 0.12 0.00 -0.44 0.00 0.00 62.40 61.83 3n9m h SER 195 CO 0.00 1.44 -0.89 -0.90 -0.53 0.00 0.00 176.83 175.95 3n9m n ASP 196 N -3.84 -2.86 -5.01 6.23 3.85 -1.26 -4.28 116.55 109.38 3n9m n ASP 196 Ca -0.09 0.25 -0.17 0.00 -0.71 0.00 0.00 54.79 54.06 3n9m n ASP 196 Cb 0.85 -0.47 0.02 0.00 -1.35 0.00 0.00 41.12 40.16 3n9m n ASP 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3n9m s ARG 197 N -0.88 2.76 -0.14 0.11 1.70 -1.26 -4.23 118.95 117.00 3n9m s ARG 197 Ca 0.29 -1.29 -0.20 0.00 -0.47 0.00 0.00 55.73 54.05 3n9m s ARG 197 Cb -0.20 -2.74 -0.04 0.00 -0.57 0.00 0.00 34.95 31.40 3n9m s ARG 197 CO 0.44 -0.35 0.55 0.00 -1.08 0.00 0.00 175.30 174.86 3n9m h GLY 199 N 7.20 0.00 0.00 0.00 0.00 -1.46 0.01 103.07 108.82 3n9m h GLY 199 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3n9m h GLY 199 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.91 3n9m n GLY 200 N -0.45 0.26 0.80 4.60 0.00 -1.26 -4.65 105.19 104.49 3n9m n GLY 200 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3n9m n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m n GLY 202 N 1.28 0.61 3.73 0.00 0.00 -0.01 -4.94 105.19 105.86 3n9m n GLY 202 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3n9m n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n9m s LYS 203 N -0.41 4.52 0.66 1.61 1.02 -1.26 -4.41 119.74 121.47 3n9m s LYS 203 Ca 0.00 1.74 -0.13 0.00 0.02 0.00 0.00 55.97 57.61 3n9m s LYS 203 Cb 0.00 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3n9m s LYS 203 CO 0.00 -0.07 1.06 -0.06 -0.92 0.00 0.00 175.35 175.36 3n9m s PHE 204 N 0.28 3.06 -0.83 3.18 0.40 -1.26 -1.97 117.98 120.84 3n9m s PHE 204 Ca 0.53 1.46 -0.20 0.00 -0.60 0.00 0.00 56.93 58.12 3n9m s PHE 204 Cb -0.29 -2.93 -0.19 0.00 0.51 0.00 0.00 43.02 40.11 3n9m s PHE 204 CO 0.33 -1.19 2.22 2.41 0.70 0.00 0.00 175.22 179.69 3n9m n THR 205 N -2.72 0.00 0.00 0.64 -1.04 -1.26 -4.85 114.28 105.05 3n9m n THR 205 Ca 0.08 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3n9m n THR 205 Cb 0.53 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 3n9m n THR 205 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3n9m n HIS 206 N 14.81 0.00 0.10 -1.42 8.25 -1.26 -5.03 115.22 130.68 3n9m n HIS 206 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 3n9m n HIS 206 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3n9m n HIS 206 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3n9m n GLU 207 N 0.00 0.00 -3.39 -0.41 4.71 -1.26 -5.12 120.64 115.17 3n9m n GLU 207 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 3n9m n GLU 207 Cb 0.00 -0.01 0.03 0.00 -1.01 0.00 0.00 31.44 30.45 3n9m n GLU 207 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3n9m n ASP 208 N -3.19 -4.89 -4.29 1.62 9.92 -1.26 -4.86 116.55 109.59 3n9m n ASP 208 Ca 0.00 -0.31 -0.45 0.00 -0.53 0.00 0.00 54.79 53.50 3n9m n ASP 208 Cb 0.00 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 38.97 3n9m n ASP 208 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3n9m s ASP 209 N -1.65 6.15 -0.97 -2.24 1.01 -1.26 -4.91 116.67 112.80 3n9m s ASP 209 Ca 0.29 -1.94 -0.01 0.00 0.71 0.00 0.00 52.55 51.59 3n9m s ASP 209 Cb -0.03 -2.16 0.31 0.00 1.01 0.00 0.00 42.92 42.04 3n9m s ASP 209 CO 0.81 -0.78 1.47 0.18 0.21 0.00 0.00 175.17 177.06 3n9m n LEU 210 N 5.00 6.29 -3.79 1.23 4.77 -1.26 -5.22 117.00 124.01 3n9m n LEU 210 Ca -0.09 -5.34 -0.42 0.00 -0.03 0.00 0.00 56.01 50.13 3n9m n LEU 210 Cb 0.41 -1.11 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 3n9m n LEU 210 CO 0.49 1.91 1.41 -0.38 -1.33 0.00 0.00 177.39 179.49 3n9m n ILE 211 N 0.69 5.65 0.00 -0.08 5.41 -1.26 -5.34 119.36 124.42 3n9m n ILE 211 Ca 0.34 -5.77 0.00 0.00 1.00 0.00 0.00 62.75 58.32 3n9m n ILE 211 Cb 0.32 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 3n9m n ILE 211 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3n9m n LYS 223 N 0.85 0.00 -1.70 0.38 5.02 -1.26 -5.33 118.16 116.12 3n9m n LYS 223 Ca 0.39 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 3n9m n LYS 223 Cb 0.29 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.42 3n9m n LYS 223 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3n9m s PRO 224 N 0.00 1.47 -0.06 1.97 0.02 -1.26 -5.02 135.00 132.12 3n9m s PRO 224 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 61.00 60.91 3n9m s PRO 224 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 3n9m s PRO 224 CO 0.00 -1.95 1.17 -0.51 -0.33 0.00 0.00 177.00 175.37 3n9m s LEU 225 N -5.84 4.28 0.00 -5.54 2.01 -1.26 -4.91 118.68 107.42 3n9m s LEU 225 Ca 0.63 1.78 0.11 0.00 0.01 0.00 0.00 54.13 56.66 3n9m s LEU 225 Cb -0.13 -3.56 0.19 0.00 0.01 0.00 0.00 46.19 42.71 3n9m s LEU 225 CO 0.51 -0.55 1.05 0.23 1.01 0.00 0.00 176.35 178.60 3n9m n MET 226 N 5.09 1.68 -4.13 1.70 2.81 -1.26 -4.82 117.12 118.17 3n9m n MET 226 Ca 0.10 -1.60 -0.09 0.00 -1.81 0.00 0.00 57.70 54.31 3n9m n MET 226 Cb 0.47 -1.24 -0.10 0.00 -0.71 0.00 0.00 33.22 31.63 3n9m n MET 226 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3n9m s SER 227 N -0.97 0.58 -0.32 7.83 1.04 -1.26 0.71 113.70 121.32 3n9m s SER 227 Ca 0.18 -1.08 -0.27 0.00 0.48 0.00 0.00 55.95 55.25 3n9m s SER 227 Cb 0.11 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3n9m s SER 227 CO 0.15 -0.62 2.23 -0.75 0.98 0.00 0.00 173.24 175.22 3n9m s LYS 228 N -3.95 2.83 -0.03 4.02 2.20 -1.26 -4.95 119.74 118.60 3n9m s LYS 228 Ca 0.15 1.75 -0.03 0.00 -0.36 0.00 0.00 55.97 57.48 3n9m s LYS 228 Cb 0.07 -4.42 0.01 0.00 -1.51 0.00 0.00 37.83 31.98 3n9m s LYS 228 CO -0.04 -2.45 0.09 0.21 -0.36 0.00 0.00 175.35 172.80 3n9m s LYS 229 N 6.87 0.10 0.00 4.03 2.20 -1.26 -4.50 119.74 127.17 3n9m s LYS 229 Ca 0.97 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 3n9m s LYS 229 Cb -0.27 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 3n9m s LYS 229 CO 0.32 -0.03 0.00 1.63 -0.36 0.00 0.00 175.35 176.91 3n9m n LYS 230 N 3.14 0.00 0.13 4.03 5.02 -1.26 -4.83 118.16 124.39 3n9m n LYS 230 Ca -0.14 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.27 3n9m n LYS 230 Cb 0.59 -0.23 0.13 0.00 -0.02 0.00 0.00 35.03 35.49 3n9m n LYS 230 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3n9m h SER 231 N 0.00 0.00 0.00 4.39 4.64 -1.90 -3.31 113.55 117.37 3n9m h SER 231 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3n9m h SER 231 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3n9m h SER 231 CO 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 3n9m n HIS 232 N -2.63 0.00 -0.07 4.77 1.44 -1.26 -3.67 115.22 113.79 3n9m n HIS 232 Ca 0.02 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 3n9m n HIS 232 Cb 0.51 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.54 3n9m n HIS 232 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3n9m h HIS 233 N 0.00 0.00 -0.23 -1.40 -0.00 -1.95 -3.34 115.15 108.23 3n9m h HIS 233 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.20 3n9m h HIS 233 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.34 3n9m h HIS 233 CO 0.00 0.68 0.05 -2.39 -0.00 0.00 0.00 177.93 176.27 3n9m n HIS 234 N -4.63 0.53 1.66 2.45 1.44 -1.24 -3.70 115.22 111.74 3n9m n HIS 234 Ca -0.11 -1.44 0.14 0.00 -2.01 0.00 0.00 57.72 54.30 3n9m n HIS 234 Cb 0.35 -0.95 0.80 0.00 0.12 0.00 0.00 29.99 30.31 3n9m n HIS 234 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3n9m n LYS 235 N 1.39 0.80 0.00 -1.40 5.02 -1.26 -3.08 118.16 119.64 3n9m n LYS 235 Ca 0.22 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.57 3n9m n LYS 235 Cb 0.62 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.45 3n9m n LYS 235 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3n9m n LYS 236 N -1.03 0.95 -0.00 1.97 5.02 -1.24 -2.77 118.16 121.05 3n9m n LYS 236 Ca 0.20 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.51 3n9m n LYS 236 Cb 0.11 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 3n9m n LYS 236 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3n9m n ASN 237 N -0.68 2.55 0.05 4.39 5.03 -1.18 -4.69 115.26 120.74 3n9m n ASN 237 Ca 0.08 -0.23 0.18 0.00 0.87 0.00 0.00 54.58 55.48 3n9m n ASN 237 Cb 0.04 1.11 0.69 0.00 -1.02 0.00 0.00 39.78 40.60 3n9m n ASN 237 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3n9m h ASP 238 N 0.00 0.00 -2.29 6.41 5.19 -1.70 -2.24 116.42 121.79 3n9m h ASP 238 Ca 0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 3n9m h ASP 238 Cb 0.14 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.25 3n9m h ASP 238 CO 0.00 0.00 -0.47 0.49 -3.12 0.00 0.00 179.24 176.14 3n9m n PHE 239 N -4.35 3.93 -1.08 4.55 3.72 -1.26 -1.71 117.46 121.26 3n9m n PHE 239 Ca 0.07 -3.86 0.03 0.00 -0.05 0.00 0.00 57.45 53.64 3n9m n PHE 239 Cb 0.52 -0.56 0.04 0.00 -0.94 0.00 0.00 39.48 38.53 3n9m n PHE 239 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3n9m n GLN 240 N -0.20 0.98 -2.20 -1.08 7.27 -0.84 -5.03 117.38 116.29 3n9m n GLN 240 Ca 0.33 -1.39 0.00 0.00 0.07 0.00 0.00 57.00 56.01 3n9m n GLN 240 Cb 0.38 -0.86 0.00 0.00 2.41 0.00 0.00 30.24 32.17 3n9m n GLN 240 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3n9m n TRP 241 N -0.47 -4.83 -4.32 3.69 7.02 0.53 -5.00 117.44 114.06 3n9m n TRP 241 Ca 0.04 2.90 -0.23 0.00 -1.02 0.00 0.00 57.50 59.19 3n9m n TRP 241 Cb 0.54 -3.65 -0.12 0.00 -2.42 0.00 0.00 31.31 25.66 3n9m n TRP 241 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 3n9m s ILE 242 N -0.53 1.82 -0.02 -0.99 1.10 0.22 -4.94 121.20 117.86 3n9m s ILE 242 Ca 0.00 -1.77 0.06 0.00 -0.51 0.00 0.00 60.65 58.43 3n9m s ILE 242 Cb 0.00 -1.75 -0.02 0.00 0.15 0.00 0.00 42.46 40.84 3n9m s ILE 242 CO 0.00 -0.19 -0.20 -0.83 -2.11 0.00 0.00 174.94 171.61 3n9m s GLY 243 N -2.34 1.44 -0.17 1.50 0.00 -1.26 -0.63 107.32 105.86 3n9m s GLY 243 Ca 0.12 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 3n9m s GLY 243 CO 0.06 -0.90 1.28 0.00 0.00 0.00 0.00 173.10 173.54 3n9m n ASP 245 N 6.67 0.00 0.00 0.00 2.03 0.39 -1.37 116.55 124.27 3n9m n ASP 245 Ca 0.14 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.95 3n9m n ASP 245 Cb 0.45 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 3n9m n ASP 245 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3n9m n SER 246 N -1.50 0.00 -0.07 1.67 2.88 -1.26 -4.69 113.62 110.65 3n9m n SER 246 Ca 0.01 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.70 3n9m n SER 246 Cb 0.05 -0.28 0.88 0.00 -0.75 0.00 0.00 64.21 64.10 3n9m n SER 246 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3n9m n GLN 248 N -0.83 -1.12 -2.34 0.00 1.13 -0.47 -4.95 117.38 108.80 3n9m n GLN 248 Ca 0.23 0.28 -0.40 0.00 -1.94 0.00 0.00 57.00 55.17 3n9m n GLN 248 Cb 0.14 -4.56 -0.03 0.00 0.11 0.00 0.00 30.24 25.90 3n9m n GLN 248 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3n9m s THR 249 N -1.22 3.22 -0.02 5.09 -4.23 -1.26 -4.69 115.64 112.53 3n9m s THR 249 Ca 0.00 1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 61.59 3n9m s THR 249 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 3n9m s THR 249 CO 0.00 0.28 0.37 0.26 -0.54 0.00 0.00 174.62 174.99 3n9m s TRP 250 N -1.08 3.71 0.17 3.99 0.52 -1.26 -1.56 118.94 123.44 3n9m s TRP 250 Ca 0.47 0.92 0.09 0.00 0.02 0.00 0.00 56.10 57.59 3n9m s TRP 250 Cb -0.35 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 3n9m s TRP 250 CO 0.45 0.66 -0.18 0.71 0.02 0.00 0.00 176.95 178.61 3n9m s TYR 251 N -1.07 1.84 0.04 -1.98 2.02 0.20 -1.07 117.35 117.33 3n9m s TYR 251 Ca 0.22 -0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 56.19 3n9m s TYR 251 Cb -0.16 -0.91 -0.14 0.00 -0.40 0.00 0.00 41.96 40.35 3n9m s TYR 251 CO 0.12 0.35 1.39 0.45 -1.57 0.00 0.00 175.55 176.29 3n9m h HIS 252 N 3.14 -0.86 0.00 2.71 3.86 -1.87 0.65 115.15 122.78 3n9m h HIS 252 Ca -0.42 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3n9m h HIS 252 Cb 1.21 0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.97 3n9m h HIS 252 CO 0.69 -0.54 0.00 1.19 0.86 0.00 0.00 177.93 180.13 3n9m n PHE 253 N -4.51 0.00 -0.31 2.45 0.99 -1.24 0.20 117.46 115.05 3n9m n PHE 253 Ca -0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.50 3n9m n PHE 253 Cb 0.37 0.00 0.35 0.00 -1.00 0.00 0.00 39.48 39.19 3n9m n PHE 253 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3n9m h LEU 254 N 0.00 0.19 -0.05 4.37 3.38 -1.63 0.25 115.31 121.82 3n9m h LEU 254 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3n9m h LEU 254 Cb 0.00 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3n9m h LEU 254 CO 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 178.44 178.39 3n9m n SER 256 N -1.01 0.82 0.00 0.00 3.41 0.87 -4.38 113.62 113.32 3n9m n SER 256 Ca 0.21 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 3n9m n SER 256 Cb 0.16 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3n9m n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n9m n GLY 257 N 1.43 0.84 3.81 5.00 0.00 -1.24 -4.43 105.19 110.59 3n9m n GLY 257 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3n9m n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n9m s LEU 258 N 0.00 3.98 0.18 0.99 1.02 -1.26 -5.07 118.68 118.51 3n9m s LEU 258 Ca 0.00 1.72 0.02 0.00 0.02 0.00 0.00 54.13 55.88 3n9m s LEU 258 Cb 0.00 -4.48 -0.04 0.00 0.02 0.00 0.00 46.19 41.69 3n9m s LEU 258 CO 0.00 -0.34 0.33 -1.61 0.02 0.00 0.00 176.35 174.74 3n9m s GLU 259 N -3.06 3.47 0.37 1.70 2.02 -1.26 -4.76 118.70 117.18 3n9m s GLU 259 Ca 0.61 -0.52 0.18 0.00 0.02 0.00 0.00 54.97 55.26 3n9m s GLU 259 Cb -0.10 -2.92 1.14 0.00 0.10 0.00 0.00 34.13 32.35 3n9m s GLU 259 CO 0.14 0.47 1.69 0.37 0.02 0.00 0.00 175.26 177.96 3n9m h GLN 260 N 2.00 0.32 0.00 1.61 4.15 -1.98 1.00 115.11 122.20 3n9m h GLN 260 Ca -0.49 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3n9m h GLN 260 Cb 1.20 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3n9m h GLN 260 CO 0.68 0.21 0.00 0.27 -1.93 0.00 0.00 178.83 178.06 3n9m h PHE 261 N 0.33 0.00 -0.02 3.99 -5.15 -1.88 -3.05 116.94 111.15 3n9m h PHE 261 Ca 0.70 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.47 3n9m h PHE 261 Cb 1.75 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.92 3n9m h PHE 261 CO -0.01 0.00 -0.06 -0.85 -2.00 0.00 0.00 178.31 175.39 3n9m n GLU 262 N -2.40 1.85 -0.27 6.09 0.28 0.34 -4.55 120.64 121.98 3n9m n GLU 262 Ca 0.04 -1.64 0.09 0.00 -0.16 0.00 0.00 57.16 55.49 3n9m n GLU 262 Cb 0.37 -1.40 0.23 0.00 1.43 0.00 0.00 31.44 32.06 3n9m n GLU 262 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 3n9m h TYR 263 N 3.86 0.31 -0.07 -1.84 -1.99 -1.47 -2.32 116.97 113.46 3n9m h TYR 263 Ca 0.00 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3n9m h TYR 263 Cb 0.85 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.57 3n9m h TYR 263 CO 0.00 -0.14 0.00 2.48 -0.00 0.00 0.00 178.16 180.50 3n9m n TYR 264 N -5.18 0.05 0.09 4.88 0.18 -1.26 -4.48 117.16 111.44 3n9m n TYR 264 Ca 0.17 -0.03 -0.15 0.00 1.88 0.00 0.00 57.90 59.78 3n9m n TYR 264 Cb 0.56 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 3n9m n TYR 264 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3n9m h LEU 265 N 4.62 0.49 -9.42 -3.48 3.38 -1.68 -3.47 115.31 105.75 3n9m h LEU 265 Ca 0.00 -0.45 -0.60 0.00 0.09 0.00 0.00 57.88 56.92 3n9m h LEU 265 Cb 0.98 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 3n9m h LEU 265 CO 0.00 1.29 -0.32 -0.31 0.09 0.00 0.00 178.44 179.19 3n9m s TYR 266 N -2.99 3.53 -0.19 1.13 2.02 -1.26 -1.39 117.35 118.20 3n9m s TYR 266 Ca -0.05 0.66 -0.17 0.00 -0.37 0.00 0.00 57.07 57.14 3n9m s TYR 266 Cb 0.08 -2.28 -0.20 0.00 -0.40 0.00 0.00 41.96 39.16 3n9m s TYR 266 CO 0.88 0.39 0.19 -1.91 -1.57 0.00 0.00 175.55 173.53 3n9m n GLU 267 N 3.01 0.61 -3.69 -0.62 2.13 -0.12 -4.78 120.64 117.18 3n9m n GLU 267 Ca -0.13 0.47 -0.38 0.00 0.66 0.00 0.00 57.16 57.77 3n9m n GLU 267 Cb 0.52 -1.71 -0.12 0.00 0.27 0.00 0.00 31.44 30.40 3n9m n GLU 267 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3n9m s LYS 268 N -2.42 3.08 -0.19 5.31 1.02 -0.94 -5.01 119.74 120.58 3n9m s LYS 268 Ca -0.28 -0.88 -0.09 0.00 0.02 0.00 0.00 55.97 54.74 3n9m s LYS 268 Cb 0.07 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3n9m s LYS 268 CO 0.63 -0.50 0.10 0.12 -0.92 0.00 0.00 175.35 174.77 3n9m s PHE 269 N 1.54 3.33 -0.26 3.18 2.19 -1.26 -1.20 117.98 125.49 3n9m s PHE 269 Ca 0.03 0.20 0.01 0.00 0.33 0.00 0.00 56.93 57.50 3n9m s PHE 269 Cb -0.18 -2.13 0.05 0.00 -1.31 0.00 0.00 43.02 39.45 3n9m s PHE 269 CO 0.05 0.21 -0.09 -0.06 1.83 0.00 0.00 175.22 177.15 3n9m s PHE 270 N 0.42 3.19 0.94 10.12 2.99 -1.26 -0.46 117.98 133.92 3n9m s PHE 270 Ca 0.06 -2.07 -0.11 0.00 0.00 0.00 0.00 56.93 54.81 3n9m s PHE 270 Cb -0.12 -1.98 0.16 0.00 0.00 0.00 0.00 43.02 41.08 3n9m s PHE 270 CO -0.01 -0.84 1.10 0.00 -0.00 0.00 0.00 175.22 175.47 3n9m h PRO 272 N -1.84 0.08 0.00 0.00 0.11 -1.98 0.76 132.00 129.13 3n9m h PRO 272 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3n9m h PRO 272 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3n9m h PRO 272 CO 0.48 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.95 3n9m n LYS 273 N -5.39 0.11 -0.03 1.05 5.02 -1.26 -2.99 118.16 114.66 3n9m n LYS 273 Ca 0.17 0.19 -0.02 0.00 -2.02 0.00 0.00 58.31 56.63 3n9m n LYS 273 Cb 0.58 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 3n9m n LYS 273 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n9m h VAL 275 N 0.00 0.19 -0.95 0.00 2.07 -1.17 -1.30 116.25 115.09 3n9m h VAL 275 Ca -0.18 -0.02 0.30 0.00 0.82 0.00 0.00 66.70 67.62 3n9m h VAL 275 Cb 1.29 0.14 -0.16 0.00 -1.52 0.00 0.00 31.29 31.05 3n9m h VAL 275 CO 0.01 0.01 0.34 -0.65 0.02 0.00 0.00 177.57 177.30 3n9m h PRO 276 N 0.05 0.16 0.00 1.57 0.11 -1.85 0.12 132.00 132.15 3n9m h PRO 276 Ca 0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3n9m h PRO 276 Cb 0.83 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3n9m h PRO 276 CO -0.80 0.10 -0.63 -2.39 -0.21 0.00 0.00 178.00 174.07 3n9m n HIS 277 N -5.24 0.00 -0.05 0.65 1.44 -0.70 -4.55 115.22 106.77 3n9m n HIS 277 Ca 0.27 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.97 3n9m n HIS 277 Cb 0.88 -0.03 -0.15 0.00 0.12 0.00 0.00 29.99 30.81 3n9m n HIS 277 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3n9m n THR 278 N -1.33 0.90 -0.27 0.61 -2.24 -0.58 -5.11 114.28 106.27 3n9m n THR 278 Ca 0.01 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3n9m n THR 278 Cb 0.18 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3n9m n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n9m n GLY 279 N 1.52 -3.09 3.84 3.38 0.00 -0.00 -4.98 105.19 105.86 3n9m n GLY 279 Ca -0.19 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 3n9m n GLY 279 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n9m s HIS 280 N -0.58 3.35 0.53 1.61 0.09 -1.26 -4.46 115.29 114.57 3n9m s HIS 280 Ca 0.00 1.37 -0.20 0.00 -0.00 0.00 0.00 55.06 56.23 3n9m s HIS 280 Cb 0.00 -2.66 -0.09 0.00 -0.00 0.00 0.00 32.58 29.83 3n9m s HIS 280 CO 0.00 0.01 0.74 0.43 -0.00 0.00 0.00 174.74 175.92 3n9m n SER 281 N -0.49 -0.09 -4.71 1.40 7.64 -1.26 -4.95 113.62 111.16 3n9m n SER 281 Ca 0.05 0.84 -0.37 0.00 1.01 0.00 0.00 58.87 60.40 3n9m n SER 281 Cb 0.53 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.41 3n9m n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3n9m s ILE 282 N -1.54 5.24 0.56 0.44 1.09 -0.34 -4.99 121.20 121.65 3n9m s ILE 282 Ca 0.69 0.72 -0.07 0.00 -1.10 0.00 0.00 60.65 60.88 3n9m s ILE 282 Cb -0.48 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.17 3n9m s ILE 282 CO 0.54 0.33 0.90 -0.13 -0.10 0.00 0.00 174.94 176.48 3n9m s ARG 283 N 0.73 3.41 0.54 2.79 0.52 -1.26 -0.95 118.95 124.73 3n9m s ARG 283 Ca 0.20 0.35 -0.22 0.00 -0.52 0.00 0.00 55.73 55.54 3n9m s ARG 283 Cb -0.14 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 3n9m s ARG 283 CO 0.07 -0.45 1.38 0.66 0.02 0.00 0.00 175.30 176.97 3n9m n TYR 284 N -2.51 2.37 -2.13 -0.53 4.01 -0.48 -4.55 117.16 113.34 3n9m n TYR 284 Ca 0.03 0.43 -0.39 0.00 -0.16 0.00 0.00 57.90 57.81 3n9m n TYR 284 Cb 0.55 -2.38 -0.01 0.00 -0.31 0.00 0.00 39.34 37.20 3n9m n TYR 284 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3n9m s LYS 285 N -2.86 4.01 -1.01 -0.72 1.02 -1.26 -4.93 119.74 113.99 3n9m s LYS 285 Ca 0.71 2.06 -0.23 0.00 0.02 0.00 0.00 55.97 58.53 3n9m s LYS 285 Cb -0.42 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.19 3n9m s LYS 285 CO 0.50 -0.43 1.45 0.08 -0.92 0.00 0.00 175.35 176.03 3n9m s VAL 286 N -1.30 3.92 -0.04 3.17 1.01 -1.26 -4.47 120.40 121.42 3n9m s VAL 286 Ca 0.57 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3n9m s VAL 286 Cb -0.36 -5.06 -0.25 0.00 0.00 0.00 0.00 36.38 30.71 3n9m s VAL 286 CO 0.46 -1.94 0.66 0.58 0.00 0.00 0.00 175.10 174.86 3n9m h VAL 287 N 6.79 0.91 -2.44 2.92 2.07 -1.38 -3.42 116.25 121.69 3n9m h VAL 287 Ca 0.19 -2.66 -0.59 0.00 0.82 0.00 0.00 66.70 64.46 3n9m h VAL 287 Cb 1.01 2.56 -0.39 0.00 -1.52 0.00 0.00 31.29 32.95 3n9m h VAL 287 CO 1.43 0.72 -0.88 0.00 0.02 0.00 0.00 177.57 178.85 3n9m n ALA 288 N -2.70 3.00 0.31 1.67 0.00 -0.29 -4.85 120.51 117.65 3n9m n ALA 288 Ca -0.20 -3.60 0.21 0.00 0.00 0.00 0.00 53.44 49.85 3n9m n ALA 288 Cb 1.04 -0.83 1.11 0.00 0.00 0.00 0.00 19.45 20.77 3n9m n ALA 288 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3n9m h PRO 289 N 5.18 0.00 -0.38 0.00 0.11 -1.82 -0.56 132.00 134.52 3n9m h PRO 289 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3n9m h PRO 289 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3n9m h PRO 289 CO 0.50 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.90 3n9m n HIS 290 N -2.93 0.50 -4.33 0.65 1.44 -1.26 -2.77 115.22 106.51 3n9m n HIS 290 Ca -0.03 -0.25 -0.22 0.00 -2.01 0.00 0.00 57.72 55.22 3n9m n HIS 290 Cb 0.08 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.06 3n9m n HIS 290 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3n9m s ARG 291 N -1.50 1.03 0.24 -1.40 1.81 -0.22 -0.73 118.95 118.18 3n9m s ARG 291 Ca 0.34 -0.96 -0.07 0.00 -1.72 0.00 0.00 55.73 53.33 3n9m s ARG 291 Cb 0.18 -1.13 0.28 0.00 -0.45 0.00 0.00 34.95 33.84 3n9m s ARG 291 CO 0.25 0.27 1.87 1.88 -0.68 0.00 0.00 175.30 178.89 3n9m h TYR 292 N 4.50 1.02 -1.10 -0.53 0.99 -1.84 -2.81 116.97 117.21 3n9m h TYR 292 Ca -0.42 0.03 -0.75 0.00 2.00 0.00 0.00 58.73 59.59 3n9m h TYR 292 Cb 1.18 -0.34 -0.13 0.00 1.00 0.00 0.00 36.73 38.45 3n9m h TYR 292 CO 0.58 0.57 2.31 0.54 -0.00 0.00 0.00 178.16 182.16 3n9m n ARG 293 N -4.57 3.65 0.21 4.88 1.74 -1.26 -4.46 116.66 116.84 3n9m n ARG 293 Ca 0.11 -3.33 0.14 0.00 -0.77 0.00 0.00 57.85 54.00 3n9m n ARG 293 Cb 0.11 -2.93 0.75 0.00 -1.02 0.00 0.00 32.46 29.37 3n9m n ARG 293 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 3n9m h TRP 294 N 5.59 0.00 0.00 -1.55 5.08 -1.65 -2.08 115.95 121.35 3n9m h TRP 294 Ca 0.48 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.32 3n9m h TRP 294 Cb 0.57 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.71 3n9m h TRP 294 CO 1.35 0.00 -0.95 0.10 -1.28 0.00 0.00 178.44 177.66 3n9m h TYR 295 N 0.00 0.00 -3.38 0.12 -0.00 -1.86 -0.28 116.97 111.57 3n9m h TYR 295 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 58.73 58.14 3n9m h TYR 295 Cb 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 36.65 3n9m h TYR 295 CO 0.00 0.50 0.21 0.45 -0.00 0.00 0.00 178.16 179.33 3n9m s SER 296 N -6.08 6.78 0.38 0.10 0.15 -0.78 -4.61 113.70 109.64 3n9m s SER 296 Ca 0.01 0.95 0.18 0.00 0.70 0.00 0.00 55.95 57.78 3n9m s SER 296 Cb 0.08 -2.38 0.73 0.00 -1.71 0.00 0.00 66.02 62.74 3n9m s SER 296 CO 0.78 -0.32 1.76 -0.65 1.20 0.00 0.00 173.24 176.01 3n9m h PRO 297 N 7.44 0.00 0.00 5.44 0.11 -1.89 -3.08 132.00 140.02 3n9m h PRO 297 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3n9m h PRO 297 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3n9m h PRO 297 CO 0.80 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 179.05 3n9m n ASN 298 N -3.63 0.00 -0.32 -2.05 4.13 -1.26 -1.87 115.26 110.25 3n9m n ASN 298 Ca -0.01 0.46 0.04 0.00 1.68 0.00 0.00 54.58 56.75 3n9m n ASN 298 Cb 0.48 -0.47 0.04 0.00 -1.54 0.00 0.00 39.78 38.29 3n9m n ASN 298 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3n9m n GLU 299 N -1.47 0.28 0.32 3.52 1.02 -1.16 -4.64 120.64 118.51 3n9m n GLU 299 Ca 0.02 -1.03 0.20 0.00 -0.02 0.00 0.00 57.16 56.33 3n9m n GLU 299 Cb 0.08 -1.15 1.09 0.00 -0.02 0.00 0.00 31.44 31.44 3n9m n GLU 299 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3n9m h LYS 300 N 1.54 0.00 -0.00 3.49 3.64 -1.49 -1.81 116.57 121.94 3n9m h LYS 300 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3n9m h LYS 300 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3n9m h LYS 300 CO 0.00 0.00 -0.86 -2.39 -2.27 0.00 0.00 179.45 173.93 3n9m n HIS 301 N -3.26 0.00 -1.84 1.91 1.44 -1.26 -4.97 115.22 107.24 3n9m n HIS 301 Ca -0.03 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.39 3n9m n HIS 301 Cb 0.13 -0.07 0.09 0.00 0.12 0.00 0.00 29.99 30.26 3n9m n HIS 301 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3n9m s LEU 302 N -3.00 2.46 0.76 2.39 1.43 -0.68 -5.03 118.68 117.01 3n9m s LEU 302 Ca 0.09 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 3n9m s LEU 302 Cb 0.16 -3.34 0.06 0.00 0.03 0.00 0.00 46.19 43.10 3n9m s LEU 302 CO 0.82 -1.96 1.11 -0.83 0.23 0.00 0.00 176.35 175.72 3n9m s GLY 303 N -4.47 1.85 -0.07 -3.19 0.00 -1.26 -4.96 107.32 95.22 3n9m s GLY 303 Ca 0.62 0.44 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 3n9m s GLY 303 CO 0.50 0.80 1.43 -0.42 0.00 0.00 0.00 173.10 175.41 3n9m s ILE 304 N -2.65 3.87 0.09 0.90 1.01 -1.26 -4.77 121.20 118.39 3n9m s ILE 304 Ca 0.64 1.13 -0.16 0.00 0.00 0.00 0.00 60.65 62.26 3n9m s ILE 304 Cb -0.20 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 3n9m s ILE 304 CO 0.52 -0.06 0.52 -1.61 0.00 0.00 0.00 174.94 174.31 3n9m s GLU 305 N 3.27 4.03 0.45 2.79 2.02 0.10 -4.30 118.70 127.07 3n9m s GLU 305 Ca 0.64 0.55 0.18 0.00 0.02 0.00 0.00 54.97 56.36 3n9m s GLU 305 Cb -0.29 -3.09 1.14 0.00 0.10 0.00 0.00 34.13 31.99 3n9m s GLU 305 CO 0.23 0.58 1.93 0.28 0.02 0.00 0.00 175.26 178.30 3n9m h VAL 306 N 3.21 0.77 0.00 2.63 2.07 -1.27 -1.90 116.25 121.77 3n9m h VAL 306 Ca -0.49 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3n9m h VAL 306 Cb 1.20 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3n9m h VAL 306 CO 0.64 0.06 -0.71 1.23 0.02 0.00 0.00 177.57 178.81 3n9m h GLY 307 N 0.31 0.00 -1.23 2.17 0.00 -1.89 -3.42 103.07 99.01 3n9m h GLY 307 Ca 0.35 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.18 3n9m h GLY 307 CO -0.09 0.00 0.17 -1.35 0.00 0.00 0.00 176.54 175.27 3n9m s SER 308 N -5.85 2.45 0.13 0.19 1.04 -0.72 -4.47 113.70 106.47 3n9m s SER 308 Ca 0.02 2.03 -0.21 0.00 0.48 0.00 0.00 55.95 58.28 3n9m s SER 308 Cb 0.08 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 3n9m s SER 308 CO 0.75 -3.37 1.70 0.50 0.98 0.00 0.00 173.24 173.80 3n9m h LYS 309 N -2.05 -0.05 -0.31 4.02 3.64 -1.79 -1.50 116.57 118.52 3n9m h LYS 309 Ca -0.47 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 3n9m h LYS 309 Cb 1.28 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 3n9m h LYS 309 CO 0.44 -0.04 0.01 1.15 -2.27 0.00 0.00 179.45 178.74 3n9m h THR 310 N -0.05 0.78 -0.47 1.00 2.02 -1.88 -1.63 112.91 112.68 3n9m h THR 310 Ca 0.09 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.25 3n9m h THR 310 Cb 0.18 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3n9m h THR 310 CO -0.19 0.02 0.28 -0.25 0.37 0.00 0.00 175.52 175.75 3n9m h TRP 311 N 0.10 0.53 0.19 3.16 7.01 -1.72 -2.65 115.95 122.58 3n9m h TRP 311 Ca 0.15 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3n9m h TRP 311 Cb 0.20 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3n9m h TRP 311 CO -0.22 0.31 -0.09 0.82 -2.79 0.00 0.00 178.44 176.47 3n9m h ILE 312 N 0.57 0.86 -0.55 2.65 2.04 -0.84 0.48 117.51 122.73 3n9m h ILE 312 Ca 0.18 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3n9m h ILE 312 Cb -0.01 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 3n9m h ILE 312 CO -0.07 0.05 -0.01 -0.33 0.00 0.00 0.00 178.15 177.79 3n9m h GLU 313 N -0.36 0.11 -0.54 2.37 5.08 -1.23 0.45 114.58 120.46 3n9m h GLU 313 Ca -0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3n9m h GLU 313 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3n9m h GLU 313 CO 0.04 0.07 0.13 0.22 -1.00 0.00 0.00 179.01 178.47 3n9m h ASP 314 N 0.11 0.82 -0.38 1.42 1.82 -1.36 -2.83 116.42 116.02 3n9m h ASP 314 Ca 0.28 -0.23 0.03 0.00 -0.39 0.00 0.00 57.03 56.72 3n9m h ASP 314 Cb 0.44 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 3n9m h ASP 314 CO -0.47 0.84 0.25 0.15 -1.61 0.00 0.00 179.24 178.40 3n9m h PHE 315 N 0.76 0.38 0.00 0.28 3.04 0.72 -0.83 116.94 121.29 3n9m h PHE 315 Ca 0.17 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 3n9m h PHE 315 Cb 0.34 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 3n9m h PHE 315 CO 0.02 0.22 -0.25 0.82 -2.02 0.00 0.00 178.31 177.11 3n9m h ILE 316 N 0.39 0.99 0.00 1.41 2.04 -0.73 0.16 117.51 121.78 3n9m h ILE 316 Ca 0.15 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3n9m h ILE 316 Cb 0.12 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3n9m h ILE 316 CO -0.04 0.24 -0.02 0.71 0.00 0.00 0.00 178.15 179.05 3n9m h THR 317 N 0.00 0.03 0.00 -0.27 1.35 -1.16 -3.35 112.91 109.52 3n9m h THR 317 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3n9m h THR 317 Cb 0.50 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3n9m h THR 317 CO 0.03 0.02 0.00 -2.11 -0.25 0.00 0.00 175.52 173.21 3n9m n ARG 318 N -3.11 5.53 0.25 4.72 1.85 -0.95 -4.75 116.66 120.20 3n9m n ARG 318 Ca 0.03 -0.06 0.08 0.00 -1.00 0.00 0.00 57.85 56.89 3n9m n ARG 318 Cb 0.46 -0.54 0.62 0.00 -1.05 0.00 0.00 32.46 31.95 3n9m n ARG 318 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 3n9m h GLU 319 N 0.00 0.00 0.00 2.89 -0.00 -0.84 -2.48 114.58 114.15 3n9m h GLU 319 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3n9m h GLU 319 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3n9m h GLU 319 CO 0.00 0.07 0.00 0.27 -0.00 0.00 0.00 179.01 179.35 3n9m n ASN 320 N -4.36 0.00 -1.03 3.06 0.23 -1.26 -1.75 115.26 110.16 3n9m n ASN 320 Ca -0.03 -0.03 0.11 0.00 -0.53 0.00 0.00 54.58 54.10 3n9m n ASN 320 Cb 0.15 -0.20 0.25 0.00 -2.08 0.00 0.00 39.78 37.90 3n9m n ASN 320 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3n9m n THR 321 N -1.20 0.45 -2.51 5.53 -2.24 -0.93 -4.86 114.28 108.51 3n9m n THR 321 Ca 0.07 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 3n9m n THR 321 Cb 0.08 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 3n9m n THR 321 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3n9m s VAL 322 N -1.55 4.38 0.62 2.28 1.01 -0.72 -4.98 120.40 121.44 3n9m s VAL 322 Ca 0.37 1.69 -0.18 0.00 0.00 0.00 0.00 61.98 63.87 3n9m s VAL 322 Cb 0.22 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 3n9m s VAL 322 CO 0.30 -0.03 0.57 -2.65 0.00 0.00 0.00 175.10 173.29 3n9m n PRO 323 N 5.46 0.49 -2.39 2.72 -0.02 -1.26 -4.21 135.00 135.80 3n9m n PRO 323 Ca 0.11 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 3n9m n PRO 323 Cb 0.46 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 3n9m n PRO 323 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3n9m s SER 324 N -1.26 6.26 0.63 2.55 0.01 -1.26 -0.19 113.70 120.43 3n9m s SER 324 Ca 0.69 1.81 -0.13 0.00 1.31 0.00 0.00 55.95 59.63 3n9m s SER 324 Cb -0.41 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.25 3n9m s SER 324 CO 0.54 -0.83 1.04 -2.84 0.41 0.00 0.00 173.24 171.56 3n9m s PRO 325 N -3.63 3.35 0.81 12.44 0.02 -1.26 -4.81 135.00 141.93 3n9m s PRO 325 Ca 0.64 0.95 -0.12 0.00 0.02 0.00 0.00 61.00 62.50 3n9m s PRO 325 Cb -0.14 -2.05 0.08 0.00 0.02 0.00 0.00 34.50 32.41 3n9m s PRO 325 CO 0.26 -0.77 1.12 0.95 -0.33 0.00 0.00 177.00 178.24 3n9m s THR 326 N -2.89 2.72 -1.07 0.99 -4.23 -1.26 -4.87 115.64 105.03 3n9m s THR 326 Ca 0.58 0.24 0.18 0.00 -1.18 0.00 0.00 61.69 61.51 3n9m s THR 326 Cb -0.13 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.83 3n9m s THR 326 CO 0.47 -0.31 1.57 0.47 -0.54 0.00 0.00 174.62 176.29 3n9m n ASP 327 N -3.43 0.00 0.07 3.99 8.00 -1.26 -1.89 116.55 122.03 3n9m n ASP 327 Ca 0.07 0.42 -0.01 0.00 0.71 0.00 0.00 54.79 55.98 3n9m n ASP 327 Cb 0.58 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3n9m n ASP 327 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3n9m h ASP 328 N 0.00 0.00 0.06 -2.24 3.32 -2.00 -3.37 116.42 112.18 3n9m h ASP 328 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3n9m h ASP 328 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3n9m h ASP 328 CO 0.00 0.67 -0.89 -0.33 -1.72 0.00 0.00 179.24 176.97 3n9m h GLU 329 N 0.00 0.12 -4.84 3.56 5.08 -1.74 -3.43 114.58 113.34 3n9m h GLU 329 Ca -0.09 -0.20 -0.35 0.00 -1.00 0.00 0.00 59.36 57.72 3n9m h GLU 329 Cb 1.59 0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.68 3n9m h GLU 329 CO 0.07 1.10 -0.76 0.14 -1.00 0.00 0.00 179.01 178.56 3n9m s VAL 330 N -2.37 0.76 -0.13 3.13 -7.23 -0.94 -1.27 120.40 112.35 3n9m s VAL 330 Ca -0.21 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 3n9m s VAL 330 Cb 0.02 -0.74 0.01 0.00 0.56 0.00 0.00 36.38 36.24 3n9m s VAL 330 CO 0.71 -0.17 -0.19 0.00 -0.31 0.00 0.00 175.10 175.15 3n9m s ILE 332 N 0.95 4.32 0.28 0.00 1.01 -1.26 -0.65 121.20 125.84 3n9m s ILE 332 Ca -0.06 -0.36 0.12 0.00 0.00 0.00 0.00 60.65 60.35 3n9m s ILE 332 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3n9m s ILE 332 CO -0.03 0.20 -0.17 0.68 0.00 0.00 0.00 174.94 175.63 3n9m s VAL 333 N 1.59 2.60 0.02 2.92 -7.23 -0.47 -4.99 120.40 114.85 3n9m s VAL 333 Ca 0.05 -2.33 -0.18 0.00 -1.81 0.00 0.00 61.98 57.71 3n9m s VAL 333 Cb -0.16 -2.39 -0.25 0.00 0.56 0.00 0.00 36.38 34.13 3n9m s VAL 333 CO 0.04 -0.39 1.10 -0.33 -0.31 0.00 0.00 175.10 175.22 3n9m h GLU 334 N 2.20 0.50 -4.11 4.82 4.39 -1.94 -2.00 114.58 118.45 3n9m h GLU 334 Ca -0.41 -0.59 -0.23 0.00 0.34 0.00 0.00 59.36 58.48 3n9m h GLU 334 Cb 1.26 0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 29.99 3n9m h GLU 334 CO 0.61 1.22 -0.24 0.16 -1.16 0.00 0.00 179.01 179.59 3n9m s ASP 335 N -7.01 0.62 0.59 1.42 3.84 -1.26 -0.29 116.67 114.59 3n9m s ASP 335 Ca -0.12 -1.36 0.40 0.00 -0.00 0.00 0.00 52.55 51.47 3n9m s ASP 335 Cb 0.04 0.61 2.16 0.00 -1.38 0.00 0.00 42.92 44.35 3n9m s ASP 335 CO 0.86 -1.19 2.22 1.23 -0.00 0.00 0.00 175.17 178.29 3n9m h GLY 336 N 2.21 0.00 1.06 2.12 0.00 -0.96 -1.57 103.07 105.94 3n9m h GLY 336 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.82 3n9m h GLY 336 CO 0.40 0.00 -0.88 -0.97 0.00 0.00 0.00 176.54 175.08 3n9m h TYR 337 N 0.00 0.91 -0.19 5.60 0.05 -1.79 -1.76 116.97 119.78 3n9m h TYR 337 Ca 0.00 -0.49 -0.13 0.00 0.05 0.00 0.00 58.73 58.17 3n9m h TYR 337 Cb 0.01 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3n9m h TYR 337 CO 0.00 1.32 -0.42 0.93 -1.05 0.00 0.00 178.16 178.94 3n9m h GLU 338 N 0.24 0.46 -0.15 4.88 5.08 -1.68 -2.45 114.58 120.96 3n9m h GLU 338 Ca -0.11 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3n9m h GLU 338 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 3n9m h GLU 338 CO 0.17 0.80 0.08 0.35 -1.00 0.00 0.00 179.01 179.41 3n9m h PHE 339 N 0.38 0.20 -0.36 4.33 3.57 -1.35 -0.47 116.94 123.25 3n9m h PHE 339 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3n9m h PHE 339 Cb 0.90 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3n9m h PHE 339 CO 0.03 0.22 0.17 -0.09 -2.23 0.00 0.00 178.31 176.41 3n9m h ARG 340 N 0.13 0.49 -0.08 1.11 2.43 -1.22 0.26 114.38 117.50 3n9m h ARG 340 Ca 0.05 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 3n9m h ARG 340 Cb 0.08 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3n9m h ARG 340 CO -0.01 0.39 -0.41 -0.09 -1.51 0.00 0.00 179.97 178.34 3n9m h ARG 341 N 0.50 0.42 0.01 0.20 2.43 -1.08 -2.38 114.38 114.49 3n9m h ARG 341 Ca 0.13 -0.34 -0.26 0.00 -0.81 0.00 0.00 59.98 58.69 3n9m h ARG 341 Cb 0.06 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3n9m h ARG 341 CO -0.02 0.98 -1.02 0.93 -1.51 0.00 0.00 179.97 179.33 3n9m h GLU 342 N -0.03 0.67 -0.69 0.20 4.39 -0.88 -2.07 114.58 116.16 3n9m h GLU 342 Ca -0.03 -0.74 0.08 0.00 0.34 0.00 0.00 59.36 59.01 3n9m h GLU 342 Cb 1.06 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 3n9m h GLU 342 CO 0.08 1.31 0.36 0.35 -1.16 0.00 0.00 179.01 179.96 3n9m h PHE 343 N 0.33 0.65 -0.01 4.33 3.04 -0.58 -2.01 116.94 122.69 3n9m h PHE 343 Ca -0.13 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.70 3n9m h PHE 343 Cb 1.69 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.99 3n9m h PHE 343 CO 0.11 0.26 -0.67 1.49 -2.02 0.00 0.00 178.31 177.48 3n9m h GLU 344 N 0.63 0.03 0.00 1.11 4.57 -1.42 -0.15 114.58 119.35 3n9m h GLU 344 Ca 0.33 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3n9m h GLU 344 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3n9m h GLU 344 CO -0.23 0.69 0.00 1.63 -1.18 0.00 0.00 179.01 179.91 3n9m n LYS 345 N -3.75 0.50 -0.11 1.92 5.02 -0.78 -2.59 118.16 118.37 3n9m n LYS 345 Ca -0.01 0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 3n9m n LYS 345 Cb 0.66 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.27 3n9m n LYS 345 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3n9m n LEU 346 N -1.21 2.49 0.00 -0.35 4.77 -1.00 -4.94 117.00 116.76 3n9m n LEU 346 Ca 0.14 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 3n9m n LEU 346 Cb 0.18 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3n9m n LEU 346 CO 0.19 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3n9m n GLY 347 N 0.38 0.78 7.00 -0.72 0.00 -1.07 -4.75 105.19 106.82 3n9m n GLY 347 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3n9m n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9m n GLY 348 N -0.89 -0.16 0.32 -0.02 0.00 -0.08 -3.85 105.19 100.51 3n9m n GLY 348 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 3n9m n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m h ALA 349 N -0.45 1.25 -0.04 4.61 0.00 -1.96 -2.08 119.26 120.59 3n9m h ALA 349 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3n9m h ALA 349 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3n9m h ALA 349 CO 0.00 0.55 0.06 -0.44 0.00 0.00 0.00 179.25 179.42 3n9m h ASP 350 N 0.91 0.00 0.00 0.00 5.19 -1.85 -2.65 116.42 118.02 3n9m h ASP 350 Ca 0.21 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 3n9m h ASP 350 Cb 0.19 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 3n9m h ASP 350 CO -0.02 0.00 -0.49 0.59 -3.12 0.00 0.00 179.24 176.21 3n9m n ASN 351 N -3.56 1.65 -4.63 6.45 5.03 -0.82 -4.70 115.26 114.67 3n9m n ASN 351 Ca -0.02 -3.38 -0.43 0.00 0.87 0.00 0.00 54.58 51.62 3n9m n ASN 351 Cb 0.15 -0.46 -0.02 0.00 -1.02 0.00 0.00 39.78 38.42 3n9m n ASN 351 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3n9m s TRP 352 N -2.54 2.65 0.00 3.10 -0.00 -1.00 -4.82 118.94 116.34 3n9m s TRP 352 Ca 0.35 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 57.30 3n9m s TRP 352 Cb 0.34 -3.90 0.00 0.00 -0.00 0.00 0.00 33.47 29.91 3n9m s TRP 352 CO -0.06 -1.78 0.00 0.41 -0.00 0.00 0.00 176.95 175.51 3n9m n GLY 353 N 4.31 0.00 3.82 5.86 0.00 -1.26 -4.77 105.19 113.15 3n9m n GLY 353 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3n9m n GLY 353 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n9m s LYS 354 N -1.35 2.92 0.17 1.61 -2.85 -1.26 -4.87 119.74 114.11 3n9m s LYS 354 Ca 0.00 -0.98 -0.22 0.00 -1.00 0.00 0.00 55.97 53.77 3n9m s LYS 354 Cb 0.00 -2.60 -0.08 0.00 -2.06 0.00 0.00 37.83 33.09 3n9m s LYS 354 CO 0.00 0.43 0.71 0.14 0.10 0.00 0.00 175.35 176.73 3n9m s VAL 355 N -1.99 4.53 -0.05 1.79 -7.23 -0.40 -4.55 120.40 112.51 3n9m s VAL 355 Ca 0.32 1.42 0.02 0.00 -1.81 0.00 0.00 61.98 61.93 3n9m s VAL 355 Cb -0.09 -3.97 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 3n9m s VAL 355 CO 0.24 0.40 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.99 3n9m s PHE 356 N -1.30 2.87 -0.20 2.82 0.08 -0.42 -1.22 117.98 120.61 3n9m s PHE 356 Ca 0.37 -0.03 -0.02 0.00 0.12 0.00 0.00 56.93 57.38 3n9m s PHE 356 Cb -0.20 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 3n9m s PHE 356 CO 0.23 0.31 -0.12 1.41 -0.10 0.00 0.00 175.22 176.95 3n9m s MET 357 N -0.96 3.21 -0.27 0.44 -2.45 0.17 -0.57 119.30 118.87 3n9m s MET 357 Ca 0.13 -0.72 -0.08 0.00 -1.25 0.00 0.00 55.69 53.78 3n9m s MET 357 Cb -0.11 -2.80 -0.02 0.00 1.25 0.00 0.00 34.83 33.15 3n9m s MET 357 CO 0.03 -0.19 0.09 0.08 1.05 0.00 0.00 175.02 176.08 3n9m s VAL 358 N 1.36 4.29 0.02 10.11 1.01 0.19 -1.36 120.40 136.01 3n9m s VAL 358 Ca 0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 3n9m s VAL 358 Cb -0.14 -3.08 -0.16 0.00 0.00 0.00 0.00 36.38 33.00 3n9m s VAL 358 CO -0.07 0.24 1.32 0.11 0.00 0.00 0.00 175.10 176.70 3n9m h LYS 359 N 8.26 0.23 -5.29 2.72 1.57 -1.39 0.40 116.57 123.07 3n9m h LYS 359 Ca -0.36 -0.12 -0.65 0.00 -1.87 0.00 0.00 60.65 57.65 3n9m h LYS 359 Cb 1.16 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.22 3n9m h LYS 359 CO 0.59 0.64 -0.74 0.34 -0.57 0.00 0.00 179.45 179.72 3n9m s ASP 360 N -5.96 4.22 0.00 0.86 3.68 0.60 -3.53 116.67 116.54 3n9m s ASP 360 Ca -0.15 -0.29 0.26 0.00 2.13 0.00 0.00 52.55 54.50 3n9m s ASP 360 Cb 0.04 -1.66 1.48 0.00 -1.45 0.00 0.00 42.92 41.33 3n9m s ASP 360 CO 0.72 0.15 1.89 1.15 0.13 0.00 0.00 175.17 179.21 3n9m n MET 361 N 3.63 0.71 -1.95 4.34 0.00 -1.26 -2.94 117.12 119.66 3n9m n MET 361 Ca -0.18 0.01 -0.42 0.00 0.00 0.00 0.00 57.70 57.11 3n9m n MET 361 Cb 0.52 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.22 3n9m n MET 361 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3n9m s ASP 362 N -2.12 6.52 0.00 3.17 2.15 -1.26 -2.25 116.67 122.88 3n9m s ASP 362 Ca 0.36 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.53 3n9m s ASP 362 Cb 0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3n9m s ASP 362 CO 0.32 -1.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 3n9m n GLY 363 N 4.37 2.46 0.12 2.66 0.00 -1.26 -1.02 105.19 112.53 3n9m n GLY 363 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3n9m n GLY 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n9m n LEU 364 N 0.00 0.60 -3.72 0.99 4.77 -0.95 -4.51 117.00 114.18 3n9m n LEU 364 Ca 0.00 0.66 -0.24 0.00 -0.03 0.00 0.00 56.01 56.40 3n9m n LEU 364 Cb 0.00 -0.60 0.05 0.00 -2.33 0.00 0.00 43.42 40.54 3n9m n LEU 364 CO 0.00 -0.58 0.07 -3.20 -1.33 0.00 0.00 177.39 172.35 3n9m n ASN 365 N -2.18 -3.42 -4.17 -1.43 5.15 -1.26 -3.50 115.26 104.45 3n9m n ASN 365 Ca 0.02 -0.73 -0.34 0.00 -0.60 0.00 0.00 54.58 52.93 3n9m n ASN 365 Cb 0.20 -4.33 -0.14 0.00 -0.53 0.00 0.00 39.78 34.98 3n9m n ASN 365 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 3n9m s MET 366 N -6.16 2.57 -0.15 1.20 1.75 -1.26 -2.41 119.30 114.82 3n9m s MET 366 Ca 0.33 -1.16 -0.29 0.00 -1.25 0.00 0.00 55.69 53.31 3n9m s MET 366 Cb -0.16 -3.06 -0.03 0.00 2.84 0.00 0.00 34.83 34.42 3n9m s MET 366 CO 0.79 -0.52 1.56 0.99 -0.65 0.00 0.00 175.02 177.19 3n9m s THR 367 N 1.26 3.77 0.00 10.11 2.01 -1.25 -4.92 115.64 126.62 3n9m s THR 367 Ca -0.04 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.87 3n9m s THR 367 Cb -0.18 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 3n9m s THR 367 CO -0.03 -0.18 -0.02 -0.04 -0.69 0.00 0.00 174.62 173.66 3n9m s MET 368 N 4.23 0.16 0.84 4.92 -1.94 -1.25 -0.28 119.30 125.97 3n9m s MET 368 Ca 0.69 -0.11 -0.16 0.00 -1.71 0.00 0.00 55.69 54.40 3n9m s MET 368 Cb -0.27 -0.12 -0.07 0.00 2.01 0.00 0.00 34.83 36.38 3n9m s MET 368 CO 0.27 0.03 0.02 -2.30 -0.01 0.00 0.00 175.02 173.02 3n9m n PRO 369 N 2.91 0.01 -2.89 2.03 -0.02 -1.20 -4.94 135.00 130.91 3n9m n PRO 369 Ca -0.13 0.03 -0.36 0.00 -2.02 0.00 0.00 63.50 61.02 3n9m n PRO 369 Cb 0.59 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 32.52 3n9m n PRO 369 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3n9m s LYS 370 N -2.55 4.42 0.69 -0.52 2.20 -1.26 -4.96 119.74 117.76 3n9m s LYS 370 Ca 0.54 1.14 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 3n9m s LYS 370 Cb -0.28 -2.72 -0.08 0.00 -1.51 0.00 0.00 37.83 33.24 3n9m s LYS 370 CO 0.69 0.26 0.23 -2.30 -0.36 0.00 0.00 175.35 173.87 3n9m n PRO 371 N 0.39 0.22 0.00 4.03 -0.02 -1.26 -1.52 135.00 136.84 3n9m n PRO 371 Ca 0.02 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3n9m n PRO 371 Cb 0.51 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3n9m n PRO 371 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n9m n GLY 372 N 2.06 2.83 3.66 -1.23 0.00 -1.26 -5.03 105.19 106.23 3n9m n GLY 372 Ca 0.08 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 3n9m n GLY 372 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3n9m n PHE 373 N 0.00 2.05 -3.54 1.61 7.35 -0.57 -4.95 117.46 119.40 3n9m n PHE 373 Ca 0.00 0.52 -0.05 0.00 -0.76 0.00 0.00 57.45 57.16 3n9m n PHE 373 Cb 0.00 -2.41 -0.00 0.00 0.35 0.00 0.00 39.48 37.42 3n9m n PHE 373 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3n9m n ASP 374 N 1.59 -0.71 -0.35 -2.13 5.68 -1.26 -4.93 116.55 114.44 3n9m n ASP 374 Ca 0.09 -1.69 0.12 0.00 -0.50 0.00 0.00 54.79 52.81 3n9m n ASP 374 Cb 0.33 1.24 0.31 0.00 -1.14 0.00 0.00 41.12 41.86 3n9m n ASP 374 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3n9m h LEU 375 N 0.00 0.80 -0.25 -2.12 5.85 -1.98 -1.85 115.31 115.76 3n9m h LEU 375 Ca -0.12 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3n9m h LEU 375 Cb 0.48 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3n9m h LEU 375 CO 0.16 0.34 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.17 3n9m h GLU 376 N 0.81 -0.04 -0.75 1.25 4.39 -1.97 -0.91 114.58 117.37 3n9m h GLU 376 Ca 0.54 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.25 3n9m h GLU 376 Cb 0.79 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 3n9m h GLU 376 CO -0.33 -0.03 0.49 -0.44 -1.16 0.00 0.00 179.01 177.55 3n9m h ASP 377 N -0.04 0.86 0.02 1.42 5.19 -1.75 -1.28 116.42 120.84 3n9m h ASP 377 Ca 0.13 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3n9m h ASP 377 Cb 0.24 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3n9m h ASP 377 CO -0.29 0.63 -0.01 0.58 -3.12 0.00 0.00 179.24 177.03 3n9m h VAL 378 N 1.01 1.03 -0.05 -1.35 2.07 -0.90 -1.85 116.25 116.21 3n9m h VAL 378 Ca 0.27 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 3n9m h VAL 378 Cb -0.11 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3n9m h VAL 378 CO -0.06 0.04 -0.40 1.62 0.02 0.00 0.00 177.57 178.79 3n9m h VAL 379 N -0.09 1.30 -0.64 2.57 3.04 -0.96 -0.93 116.25 120.54 3n9m h VAL 379 Ca -0.00 -1.45 -0.04 0.00 -1.01 0.00 0.00 66.70 64.20 3n9m h VAL 379 Cb 0.08 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 3n9m h VAL 379 CO 0.00 0.42 0.23 0.11 -1.01 0.00 0.00 177.57 177.33 3n9m h LYS 380 N 0.10 0.94 0.08 4.17 1.57 -1.03 0.51 116.57 122.91 3n9m h LYS 380 Ca 0.01 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3n9m h LYS 380 Cb 0.76 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.92 3n9m h LYS 380 CO 0.06 0.79 -0.61 0.82 -0.57 0.00 0.00 179.45 179.94 3n9m h ILE 381 N 0.92 1.53 0.00 1.86 2.04 -0.90 -3.36 117.51 119.61 3n9m h ILE 381 Ca 0.21 -2.43 -0.09 0.00 1.00 0.00 0.00 64.86 63.55 3n9m h ILE 381 Cb 0.21 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3n9m h ILE 381 CO -0.02 0.65 -0.52 0.24 0.00 0.00 0.00 178.15 178.51 3n9m h MET 382 N -0.64 0.00 0.00 2.37 2.86 -1.24 -3.49 114.93 114.79 3n9m h MET 382 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3n9m h MET 382 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 3n9m h MET 382 CO 0.06 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.85 3n9m n GLY 383 N 1.22 2.61 0.12 8.32 0.00 0.17 -4.57 105.19 113.05 3n9m n GLY 383 Ca 0.01 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 44.13 3n9m n GLY 383 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3n9m h SER 384 N 0.00 0.00 -0.21 1.61 0.02 -1.92 -3.30 113.55 109.75 3n9m h SER 384 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n9m h SER 384 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3n9m h SER 384 CO 0.00 0.57 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 3n9m n ASP 385 N -3.14 2.72 -4.66 3.07 8.00 -1.26 -1.75 116.55 119.53 3n9m n ASP 385 Ca -0.02 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 3n9m n ASP 385 Cb 0.78 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 3n9m n ASP 385 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3n9m s TYR 386 N -1.74 1.81 -0.11 1.24 5.04 -1.24 -4.72 117.35 117.62 3n9m s TYR 386 Ca 0.35 0.04 -0.21 0.00 -2.44 0.00 0.00 57.07 54.81 3n9m s TYR 386 Cb 0.21 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 38.49 3n9m s TYR 386 CO 0.30 -4.25 0.61 -1.21 -1.34 0.00 0.00 175.55 169.66 3n9m s GLU 387 N 4.16 4.36 0.01 4.97 2.02 -1.26 0.16 118.70 133.11 3n9m s GLU 387 Ca 0.77 0.68 0.09 0.00 0.02 0.00 0.00 54.97 56.53 3n9m s GLU 387 Cb -0.35 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.38 3n9m s GLU 387 CO 0.32 0.04 -0.26 0.54 0.02 0.00 0.00 175.26 175.92 3n9m s VAL 388 N 0.96 2.10 0.05 2.63 0.11 -0.60 -4.92 120.40 120.74 3n9m s VAL 388 Ca 0.32 -1.23 -0.30 0.00 -2.93 0.00 0.00 61.98 57.84 3n9m s VAL 388 Cb -0.16 -1.76 -0.08 0.00 -1.53 0.00 0.00 36.38 32.84 3n9m s VAL 388 CO 0.14 0.49 1.72 -1.81 -3.33 0.00 0.00 175.10 172.30 3n9m s ASP 389 N -0.89 6.57 -0.05 3.54 -0.00 -1.26 -2.90 116.67 121.68 3n9m s ASP 389 Ca 0.11 2.50 0.06 0.00 -0.00 0.00 0.00 52.55 55.22 3n9m s ASP 389 Cb -0.10 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 3n9m s ASP 389 CO 0.00 -0.93 -0.24 -0.89 -0.00 0.00 0.00 175.17 173.12 3n9m s THR 390 N 3.14 2.20 -0.23 -1.27 2.01 0.15 -0.89 115.64 120.75 3n9m s THR 390 Ca 0.77 -1.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 3n9m s THR 390 Cb -0.40 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 3n9m s THR 390 CO 0.33 0.57 0.71 -0.63 -0.69 0.00 0.00 174.62 174.92 3n9m s ILE 391 N -0.35 4.94 -0.88 1.82 1.01 0.26 0.17 121.20 128.18 3n9m s ILE 391 Ca 0.02 1.32 -0.23 0.00 0.00 0.00 0.00 60.65 61.77 3n9m s ILE 391 Cb -0.12 -4.01 0.07 0.00 0.01 0.00 0.00 42.46 38.40 3n9m s ILE 391 CO 0.02 0.02 1.26 -0.62 0.00 0.00 0.00 174.94 175.61 3n9m s ASP 392 N 1.33 6.40 0.18 3.58 -1.08 0.12 -2.66 116.67 124.54 3n9m s ASP 392 Ca 0.31 -1.30 -0.16 0.00 -0.52 0.00 0.00 52.55 50.88 3n9m s ASP 392 Cb -0.16 -2.50 0.14 0.00 -1.46 0.00 0.00 42.92 38.94 3n9m s ASP 392 CO 0.09 -1.47 1.65 0.58 0.52 0.00 0.00 175.17 176.54 3n9m h VAL 393 N 6.27 0.50 0.00 1.11 2.07 -1.69 -0.26 116.25 124.25 3n9m h VAL 393 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3n9m h VAL 393 Cb 1.03 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3n9m h VAL 393 CO 1.28 0.00 0.00 1.88 0.02 0.00 0.00 177.57 180.75 3n9m h TYR 394 N -0.02 0.00 -0.17 1.57 0.05 -1.79 -2.47 116.97 114.13 3n9m h TYR 394 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3n9m h TYR 394 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3n9m h TYR 394 CO -0.42 0.00 0.00 -1.71 -1.05 0.00 0.00 178.16 174.98 3n9m n ASN 395 N -3.08 2.81 -3.87 3.88 5.15 -0.49 -4.28 115.26 115.38 3n9m n ASN 395 Ca 0.01 -1.83 -0.26 0.00 -0.60 0.00 0.00 54.58 51.89 3n9m n ASN 395 Cb 0.30 -0.10 -0.04 0.00 -0.53 0.00 0.00 39.78 39.41 3n9m n ASN 395 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3n9m n GLN 396 N 1.08 -0.77 -3.90 1.20 1.13 -0.23 -4.93 117.38 110.97 3n9m n GLN 396 Ca 0.13 -0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.10 3n9m n GLN 396 Cb 0.49 -2.15 -0.08 0.00 0.11 0.00 0.00 30.24 28.61 3n9m n GLN 396 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3n9m s SER 397 N -3.98 0.15 -0.13 1.08 0.01 -1.17 -5.01 113.70 104.66 3n9m s SER 397 Ca 0.13 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.67 3n9m s SER 397 Cb -0.07 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 3n9m s SER 397 CO 0.71 -0.74 -0.15 -0.89 0.41 0.00 0.00 173.24 172.58 3n9m s THR 398 N -3.88 2.89 0.24 1.44 2.01 -1.26 0.14 115.64 117.22 3n9m s THR 398 Ca 0.07 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.39 3n9m s THR 398 Cb 0.05 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3n9m s THR 398 CO -0.09 0.53 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.05 3n9m s TYR 399 N 0.35 1.62 0.53 4.92 2.02 0.13 -4.42 117.35 122.49 3n9m s TYR 399 Ca -0.12 -0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 55.51 3n9m s TYR 399 Cb -0.16 -0.94 -0.07 0.00 -0.40 0.00 0.00 41.96 40.38 3n9m s TYR 399 CO 0.06 -0.01 1.00 -1.12 -1.57 0.00 0.00 175.55 173.91 3n9m s SER 400 N -3.33 6.49 -0.29 2.29 0.01 -1.26 0.33 113.70 117.94 3n9m s SER 400 Ca 0.29 1.60 -0.16 0.00 1.31 0.00 0.00 55.95 58.98 3n9m s SER 400 Cb 0.06 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 63.91 3n9m s SER 400 CO 0.09 -0.68 0.93 -0.32 0.41 0.00 0.00 173.24 173.68 3n9m s MET 401 N -4.13 0.44 0.46 12.44 1.75 -1.14 -3.01 119.30 126.11 3n9m s MET 401 Ca 0.59 0.75 -0.24 0.00 -1.25 0.00 0.00 55.69 55.54 3n9m s MET 401 Cb -0.11 0.09 -0.09 0.00 2.84 0.00 0.00 34.83 37.57 3n9m s MET 401 CO 0.33 -0.09 1.20 1.63 -0.65 0.00 0.00 175.02 177.44 3n9m n LYS 402 N 3.75 1.67 0.05 4.11 5.02 -1.26 -1.55 118.16 129.94 3n9m n LYS 402 Ca -0.19 0.60 0.02 0.00 -2.02 0.00 0.00 58.31 56.73 3n9m n LYS 402 Cb 0.58 -2.33 0.38 0.00 -0.02 0.00 0.00 35.03 33.64 3n9m n LYS 402 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3n9m h LEU 403 N 1.70 0.38 -0.06 -0.35 5.85 -0.25 -1.65 115.31 120.91 3n9m h LEU 403 Ca -0.48 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 3n9m h LEU 403 Cb 1.31 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3n9m h LEU 403 CO 0.58 0.42 0.00 -0.78 -0.34 0.00 0.00 178.44 178.32 3n9m h ASP 404 N 0.41 0.11 -0.63 1.25 3.58 -1.60 -1.96 116.42 117.57 3n9m h ASP 404 Ca 0.09 -0.30 0.10 0.00 0.42 0.00 0.00 57.03 57.35 3n9m h ASP 404 Cb 0.22 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.16 3n9m h ASP 404 CO 0.00 0.38 0.23 0.74 -2.88 0.00 0.00 179.24 177.70 3n9m h THR 405 N -0.17 0.74 -0.09 2.25 2.02 -1.69 0.93 112.91 116.91 3n9m h THR 405 Ca 0.02 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3n9m h THR 405 Cb 0.32 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3n9m h THR 405 CO 0.00 0.07 -0.07 0.15 0.37 0.00 0.00 175.52 176.05 3n9m h PHE 406 N 0.40 -0.16 -0.59 3.16 3.57 -1.18 -0.71 116.94 121.42 3n9m h PHE 406 Ca 0.32 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.91 3n9m h PHE 406 Cb 0.42 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 3n9m h PHE 406 CO -0.18 -0.11 0.24 -0.09 -2.23 0.00 0.00 178.31 175.95 3n9m h ARG 407 N -0.08 0.43 -0.19 1.11 2.43 -0.52 0.39 114.38 117.95 3n9m h ARG 407 Ca 0.06 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3n9m h ARG 407 Cb 0.16 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 3n9m h ARG 407 CO -0.14 0.28 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.10 3n9m h LYS 408 N 0.44 -0.32 -0.40 0.20 3.64 -0.20 -0.42 116.57 119.51 3n9m h LYS 408 Ca 0.29 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3n9m h LYS 408 Cb 0.32 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3n9m h LYS 408 CO -0.27 -0.21 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.52 3n9m h LEU 409 N -0.33 0.70 -0.72 5.20 3.38 -0.02 -2.76 115.31 120.76 3n9m h LEU 409 Ca 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3n9m h LEU 409 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3n9m h LEU 409 CO -0.37 0.84 0.24 0.15 0.09 0.00 0.00 178.44 179.38 3n9m h PHE 410 N 0.65 1.14 -0.02 1.13 3.57 0.25 -3.05 116.94 120.61 3n9m h PHE 410 Ca 0.11 -0.11 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 3n9m h PHE 410 Cb 0.56 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3n9m h PHE 410 CO 0.03 0.90 -0.69 0.00 -2.23 0.00 0.00 178.31 176.31 3n9m h ARG 411 N 1.05 0.10 -6.01 1.11 2.47 -0.92 -3.40 114.38 108.78 3n9m h ARG 411 Ca 0.23 -0.08 -0.51 0.00 -1.26 0.00 0.00 59.98 58.36 3n9m h ARG 411 Cb 0.28 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3n9m h ARG 411 CO -0.01 0.75 1.37 0.34 0.56 0.00 0.00 179.97 182.98 3n9m s ASP 412 N -6.86 5.33 -0.07 7.04 -1.08 -1.06 -4.81 116.67 115.16 3n9m s ASP 412 Ca -0.02 0.69 0.08 0.00 -0.52 0.00 0.00 52.55 52.78 3n9m s ASP 412 Cb 0.12 -2.52 -0.24 0.00 -1.46 0.00 0.00 42.92 38.81 3n9m s ASP 412 CO 0.79 -2.27 0.55 0.41 0.52 0.00 0.00 175.17 175.18 3n9m n THR 413 N 7.37 1.64 0.04 1.71 -1.04 -1.26 -4.33 114.28 118.40 3n9m n THR 413 Ca 0.23 -0.76 -0.05 0.00 -2.04 0.00 0.00 64.05 61.43 3n9m n THR 413 Cb 0.51 -1.18 -0.10 0.00 -1.82 0.00 0.00 70.33 67.74 3n9m n THR 413 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3n9m h LYS 414 N 0.02 0.00 -4.01 -2.82 3.64 -1.97 -3.42 116.57 108.01 3n9m h LYS 414 Ca -0.34 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.39 3n9m h LYS 414 Cb 2.03 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.45 3n9m h LYS 414 CO 0.08 0.62 -0.64 -0.80 -2.27 0.00 0.00 179.45 176.44 3n9m s ASN 415 N -6.28 4.64 -0.56 4.20 0.01 -1.26 -5.00 114.94 110.68 3n9m s ASN 415 Ca -0.01 -2.59 0.04 0.00 -0.71 0.00 0.00 52.86 49.59 3n9m s ASN 415 Cb 0.09 -1.67 0.17 0.00 0.41 0.00 0.00 41.25 40.25 3n9m s ASN 415 CO 0.81 -0.32 0.41 -0.13 -1.51 0.00 0.00 177.10 176.35 3n9m s ARG 416 N 0.31 1.68 0.14 -0.60 0.52 -1.26 -4.94 118.95 114.80 3n9m s ARG 416 Ca 0.14 -2.70 -0.18 0.00 -0.52 0.00 0.00 55.73 52.47 3n9m s ARG 416 Cb -0.22 -2.45 -0.00 0.00 0.52 0.00 0.00 34.95 32.80 3n9m s ARG 416 CO -0.04 -1.32 1.77 -1.35 0.02 0.00 0.00 175.30 174.38 3n9m h PRO 417 N 5.60 0.29 -6.26 3.54 0.11 -1.98 -3.42 132.00 129.87 3n9m h PRO 417 Ca 0.19 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.72 3n9m h PRO 417 Cb 0.84 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.79 3n9m h PRO 417 CO 0.55 0.19 -0.63 -0.51 -0.21 0.00 0.00 178.00 177.39 3n9m s LEU 418 N -10.24 3.35 -0.10 2.35 2.01 -1.26 -5.08 118.68 109.71 3n9m s LEU 418 Ca -0.13 -0.48 -0.03 0.00 0.01 0.00 0.00 54.13 53.50 3n9m s LEU 418 Cb 0.10 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.35 3n9m s LEU 418 CO 0.70 0.03 0.04 -0.76 1.01 0.00 0.00 176.35 177.37 3n9m s LEU 419 N -3.41 3.81 -0.09 1.79 1.43 -1.26 -5.06 118.68 115.89 3n9m s LEU 419 Ca 0.30 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3n9m s LEU 419 Cb -0.08 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.28 3n9m s LEU 419 CO 0.20 0.38 -0.03 -0.31 0.23 0.00 0.00 176.35 176.83 3n9m s TYR 420 N -0.90 0.96 0.11 0.29 2.02 -1.26 -2.11 117.35 116.45 3n9m s TYR 420 Ca 0.14 -0.37 0.10 0.00 -0.37 0.00 0.00 57.07 56.56 3n9m s TYR 420 Cb -0.12 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 3n9m s TYR 420 CO 0.03 -0.39 -0.24 -0.80 -1.57 0.00 0.00 175.55 172.57 3n9m s ASN 421 N 1.87 3.45 -0.07 2.29 0.02 -1.09 -3.57 114.94 117.84 3n9m s ASN 421 Ca 0.05 -0.66 -0.12 0.00 -1.02 0.00 0.00 52.86 51.10 3n9m s ASN 421 Cb -0.12 -0.33 -0.05 0.00 0.02 0.00 0.00 41.25 40.77 3n9m s ASN 421 CO -0.06 0.20 0.30 0.72 0.02 0.00 0.00 177.10 178.28 3n9m s PHE 422 N -1.03 3.63 0.00 2.20 -0.12 -0.87 0.92 117.98 122.71 3n9m s PHE 422 Ca 0.15 0.76 0.00 0.00 -0.05 0.00 0.00 56.93 57.79 3n9m s PHE 422 Cb -0.10 -2.19 0.00 0.00 -0.63 0.00 0.00 43.02 40.09 3n9m s PHE 422 CO 0.06 0.58 0.89 -0.11 -0.05 0.00 0.00 175.22 176.60 3n9m n LEU 423 N 2.26 0.00 0.00 -1.99 0.00 -0.07 -4.60 117.00 112.60 3n9m n LEU 423 Ca -0.15 0.89 0.00 0.00 0.00 0.00 0.00 56.01 56.75 3n9m n LEU 423 Cb 0.53 -0.39 0.00 0.00 0.00 0.00 0.00 43.42 43.56 3n9m n LEU 423 CO 0.36 -0.39 0.00 -0.24 0.00 0.00 0.00 177.39 177.11 3n9m n SER 424 N -2.37 0.00 -2.52 1.96 2.88 -1.26 -5.00 113.62 107.31 3n9m n SER 424 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3n9m n SER 424 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3n9m n SER 424 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3n9m n LEU 425 N -1.26 -5.31 -4.66 2.46 7.94 -1.26 -3.37 117.00 111.54 3n9m n LEU 425 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 3n9m n LEU 425 Cb 0.00 -2.56 -0.06 0.00 0.53 0.00 0.00 43.42 41.33 3n9m n LEU 425 CO 0.00 -0.86 0.38 -0.70 -1.11 0.00 0.00 177.39 175.10 3n9m s GLU 426 N -2.88 4.21 -0.23 1.96 -6.30 -1.26 -1.12 118.70 113.08 3n9m s GLU 426 Ca 0.02 0.62 0.12 0.00 -2.50 0.00 0.00 54.97 53.22 3n9m s GLU 426 Cb -0.01 -3.58 0.45 0.00 0.00 0.00 0.00 34.13 30.99 3n9m s GLU 426 CO 0.50 -0.24 1.33 1.97 0.02 0.00 0.00 175.26 178.83 3n9m n PHE 427 N 5.06 0.51 1.05 5.30 1.16 -0.49 -4.68 117.46 125.37 3n9m n PHE 427 Ca -0.01 -1.43 0.11 0.00 -1.87 0.00 0.00 57.45 54.24 3n9m n PHE 427 Cb 0.50 -0.34 0.55 0.00 -1.61 0.00 0.00 39.48 38.58 3n9m n PHE 427 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3n9m n SER 428 N -1.11 0.00 -0.27 5.98 3.41 -1.26 -2.78 113.62 117.58 3n9m n SER 428 Ca 0.25 -0.07 0.03 0.00 -0.26 0.00 0.00 58.87 58.81 3n9m n SER 428 Cb 0.84 -0.26 0.05 0.00 -0.26 0.00 0.00 64.21 64.57 3n9m n SER 428 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3n9m n ASP 429 N -1.26 1.93 -4.40 4.04 5.75 -1.26 -4.86 116.55 116.49 3n9m n ASP 429 Ca 0.11 -1.59 -0.44 0.00 -0.01 0.00 0.00 54.79 52.86 3n9m n ASP 429 Cb 0.16 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.13 3n9m n ASP 429 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3n9m s ASN 430 N -0.72 6.17 0.56 -1.12 2.47 -1.12 -4.96 114.94 116.23 3n9m s ASN 430 Ca 0.09 -1.23 0.33 0.00 0.42 0.00 0.00 52.86 52.46 3n9m s ASN 430 Cb 0.05 -2.22 1.46 0.00 -1.45 0.00 0.00 41.25 39.10 3n9m s ASN 430 CO 0.08 -0.75 1.79 0.78 -3.72 0.00 0.00 177.10 175.28 3n9m h ASN 431 N 8.85 0.00 0.00 -4.21 2.35 -1.90 0.39 115.58 121.06 3n9m h ASN 431 Ca -0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 3n9m h ASN 431 Cb 1.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 3n9m h ASN 431 CO 0.92 0.00 -0.17 -0.08 -1.65 0.00 0.00 177.43 176.46 3n9m h GLU 432 N 0.00 0.00 -0.74 0.81 4.81 -1.94 -3.38 114.58 114.14 3n9m h GLU 432 Ca 0.44 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.78 3n9m h GLU 432 Cb 1.95 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.25 3n9m h GLU 432 CO -0.00 0.26 0.36 0.52 -0.73 0.00 0.00 179.01 179.41 3n9m h MET 433 N -1.00 0.56 0.00 1.92 2.86 -1.60 -2.72 114.93 114.94 3n9m h MET 433 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3n9m h MET 433 Cb 0.37 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3n9m h MET 433 CO -0.01 0.37 0.00 0.36 1.06 0.00 0.00 176.91 178.69 3n9m n LYS 434 N -4.89 0.14 -0.00 1.72 2.85 0.04 -0.07 118.16 117.95 3n9m n LYS 434 Ca 0.13 0.61 0.08 0.00 -1.05 0.00 0.00 58.31 58.07 3n9m n LYS 434 Cb 0.33 -1.93 -0.10 0.00 -0.65 0.00 0.00 35.03 32.68 3n9m n LYS 434 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3n9m n GLU 435 N -2.23 1.51 0.04 -1.58 -0.58 -1.03 -4.61 120.64 112.16 3n9m n GLU 435 Ca -0.01 -0.01 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 3n9m n GLU 435 Cb 0.05 -1.28 -0.14 0.00 -0.57 0.00 0.00 31.44 29.50 3n9m n GLU 435 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3n9m h ILE 436 N 0.00 1.36 -3.21 -3.67 2.04 -0.44 -3.45 117.51 110.15 3n9m h ILE 436 Ca 0.00 -2.51 -0.52 0.00 1.00 0.00 0.00 64.86 62.83 3n9m h ILE 436 Cb 0.41 3.05 -0.37 0.00 -0.74 0.00 0.00 36.82 39.18 3n9m h ILE 436 CO 0.00 0.72 -0.80 0.00 0.00 0.00 0.00 178.15 178.07 3n9m s ALA 437 N -2.45 1.26 0.26 1.87 0.00 -1.15 -3.21 121.76 118.33 3n9m s ALA 437 Ca -0.15 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.36 3n9m s ALA 437 Cb 0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 3n9m s ALA 437 CO 0.82 -0.48 -0.10 0.15 0.00 0.00 0.00 175.76 176.15 3n9m s LYS 438 N 1.74 1.50 0.67 0.00 -0.14 0.62 -4.86 119.74 119.26 3n9m s LYS 438 Ca 0.04 -1.72 -0.13 0.00 -1.36 0.00 0.00 55.97 52.80 3n9m s LYS 438 Cb -0.13 -1.22 0.00 0.00 -1.68 0.00 0.00 37.83 34.81 3n9m s LYS 438 CO -0.08 0.12 1.08 -2.14 -0.76 0.00 0.00 175.35 173.57 3n9m s PRO 439 N -3.68 2.87 0.60 -1.68 0.02 -1.26 -3.91 135.00 127.97 3n9m s PRO 439 Ca 0.27 1.17 -0.18 0.00 0.02 0.00 0.00 61.00 62.28 3n9m s PRO 439 Cb 0.01 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3n9m s PRO 439 CO 0.11 -1.17 0.96 -2.30 -0.33 0.00 0.00 177.00 174.27 3n9m n PRO 440 N -2.74 0.88 -0.24 5.54 -0.02 -1.26 -4.53 135.00 132.64 3n9m n PRO 440 Ca 0.09 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 3n9m n PRO 440 Cb 0.53 -2.16 0.16 0.00 -0.02 0.00 0.00 33.50 32.00 3n9m n PRO 440 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3n9m h ARG 441 N 0.47 0.40 -0.02 -0.52 9.65 -1.51 -0.59 114.38 122.25 3n9m h ARG 441 Ca -0.48 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.35 3n9m h ARG 441 Cb 1.36 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.85 3n9m h ARG 441 CO 0.51 0.27 -0.09 0.27 2.80 0.00 0.00 179.97 183.72 3n9m h PHE 442 N 0.41 0.03 -0.15 2.20 -5.15 -1.89 -0.07 116.94 112.32 3n9m h PHE 442 Ca 0.37 -0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.95 3n9m h PHE 442 Cb 0.54 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 36.70 3n9m h PHE 442 CO -0.18 0.12 -0.69 0.28 -2.00 0.00 0.00 178.31 175.84 3n9m h VAL 443 N 0.03 1.32 -0.14 0.88 2.07 -1.47 -3.03 116.25 115.91 3n9m h VAL 443 Ca 0.01 -1.97 -0.09 0.00 0.82 0.00 0.00 66.70 65.46 3n9m h VAL 443 Cb 0.18 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3n9m h VAL 443 CO 0.01 0.61 -0.33 1.56 0.02 0.00 0.00 177.57 179.44 3n9m h GLN 444 N 0.44 0.28 0.00 1.57 4.20 -0.51 0.10 115.11 121.18 3n9m h GLN 444 Ca -0.03 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3n9m h GLN 444 Cb 1.29 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3n9m h GLN 444 CO 0.13 0.59 0.00 0.39 -0.67 0.00 0.00 178.83 179.27 3n9m n GLU 445 N -4.09 0.21 0.00 1.46 1.02 -0.17 -3.65 120.64 115.42 3n9m n GLU 445 Ca -0.01 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3n9m n GLU 445 Cb 0.43 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3n9m n GLU 445 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3n9m n ILE 446 N -2.18 0.00 -1.70 -3.67 -5.35 -1.10 -5.02 119.36 100.35 3n9m n ILE 446 Ca 0.04 -0.41 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 3n9m n ILE 446 Cb 0.34 0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 3n9m n ILE 446 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3n9m s SER 447 N -1.13 6.41 0.24 7.28 0.15 0.00 -4.40 113.70 122.26 3n9m s SER 447 Ca 0.00 2.59 -0.05 0.00 0.70 0.00 0.00 55.95 59.19 3n9m s SER 447 Cb 0.00 -2.53 0.26 0.00 -1.71 0.00 0.00 66.02 62.04 3n9m s SER 447 CO 0.00 -1.10 1.82 0.24 1.20 0.00 0.00 173.24 175.40 3n9m h MET 448 N 10.76 1.10 -0.53 5.44 2.86 -1.26 -1.82 114.93 131.48 3n9m h MET 448 Ca -0.48 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 56.96 3n9m h MET 448 Cb 1.23 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 3n9m h MET 448 CO 0.94 0.88 0.28 0.28 1.06 0.00 0.00 176.91 180.36 3n9m h VAL 449 N 1.08 1.19 0.00 -2.22 2.07 -1.90 -2.09 116.25 114.38 3n9m h VAL 449 Ca 0.25 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3n9m h VAL 449 Cb 0.18 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3n9m h VAL 449 CO -0.02 0.20 0.00 -1.13 0.02 0.00 0.00 177.57 176.64 3n9m h ASN 450 N 0.71 0.00 1.09 0.57 -1.24 -1.68 0.25 115.58 115.28 3n9m h ASN 450 Ca 0.19 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.03 3n9m h ASN 450 Cb 0.07 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 3n9m h ASN 450 CO -0.03 0.00 -0.96 -0.09 -1.29 0.00 0.00 177.43 175.06 3n9m h ARG 451 N 0.00 0.00 0.00 6.67 9.65 -0.64 -2.95 114.38 127.11 3n9m h ARG 451 Ca 0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 3n9m h ARG 451 Cb 0.27 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 3n9m h ARG 451 CO 0.00 0.56 -1.82 1.28 2.80 0.00 0.00 179.97 182.79 3n9m n LEU 452 N -3.15 0.00 -3.31 3.80 4.77 -0.94 -4.56 117.00 113.61 3n9m n LEU 452 Ca -0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 3n9m n LEU 452 Cb 0.84 0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 42.07 3n9m n LEU 452 CO 0.43 0.21 0.01 0.79 -1.33 0.00 0.00 177.39 177.50 3n9m n TRP 453 N -2.31 2.88 -1.88 -1.77 8.01 0.82 -3.39 117.44 119.81 3n9m n TRP 453 Ca -0.15 -4.02 -0.41 0.00 -1.31 0.00 0.00 57.50 51.61 3n9m n TRP 453 Cb 0.73 -0.51 -0.01 0.00 -2.01 0.00 0.00 31.31 29.52 3n9m n TRP 453 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 3n9m s PRO 454 N -2.37 4.17 0.12 -0.99 0.02 -1.11 -4.49 135.00 130.35 3n9m s PRO 454 Ca 0.40 2.49 -0.31 0.00 0.02 0.00 0.00 61.00 63.60 3n9m s PRO 454 Cb 0.18 -2.99 -0.09 0.00 0.02 0.00 0.00 34.50 31.62 3n9m s PRO 454 CO -0.05 -0.45 1.58 0.22 -0.33 0.00 0.00 177.00 177.97 3n9m h ASP 455 N 3.12 -1.37 0.00 2.53 1.82 -1.94 -3.37 116.42 117.21 3n9m h ASP 455 Ca -0.50 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 3n9m h ASP 455 Cb 1.24 0.54 0.00 0.00 0.68 0.00 0.00 39.33 41.78 3n9m h ASP 455 CO 0.65 -0.47 0.00 0.52 -1.61 0.00 0.00 179.24 178.33 3n9m n VAL 456 N -5.45 0.00 -2.04 2.25 0.31 -1.26 -4.65 118.33 107.49 3n9m n VAL 456 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3n9m n VAL 456 Cb 0.38 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 3n9m n VAL 456 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3n9m n SER 457 N 0.00 0.00 0.00 4.52 7.64 -1.26 -4.50 113.62 120.02 3n9m n SER 457 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3n9m n SER 457 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3n9m n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n9m n GLY 458 N -0.56 4.29 0.08 0.23 0.00 -1.26 -4.91 105.19 103.06 3n9m n GLY 458 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 3n9m n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m h ALA 459 N 1.17 0.36 0.00 4.61 0.00 -2.02 -3.31 119.26 120.06 3n9m h ALA 459 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 3n9m h ALA 459 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3n9m h ALA 459 CO 0.00 1.23 -0.15 0.93 0.00 0.00 0.00 179.25 181.26 3n9m h GLU 460 N 0.03 0.00 -0.27 0.00 4.39 -1.95 -3.00 114.58 113.78 3n9m h GLU 460 Ca -0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3n9m h GLU 460 Cb 1.90 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 3n9m h GLU 460 CO 0.14 0.15 0.09 -0.92 -1.16 0.00 0.00 179.01 177.31 3n9m h TYR 461 N 0.00 0.42 -0.93 4.33 3.20 -1.79 0.89 116.97 123.09 3n9m h TYR 461 Ca -0.00 -0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.00 3n9m h TYR 461 Cb 0.59 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 3n9m h TYR 461 CO 0.00 0.44 0.59 0.82 -1.64 0.00 0.00 178.16 178.38 3n9m h ILE 462 N 0.27 0.76 0.11 1.81 2.04 -1.69 -2.56 117.51 118.25 3n9m h ILE 462 Ca 0.09 -0.21 -0.30 0.00 1.00 0.00 0.00 64.86 65.43 3n9m h ILE 462 Cb 0.21 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3n9m h ILE 462 CO -0.00 0.11 -1.57 0.11 0.00 0.00 0.00 178.15 176.80 3n9m h LYS 463 N 0.62 0.24 0.00 2.37 1.57 -1.54 -3.23 116.57 116.61 3n9m h LYS 463 Ca 0.49 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3n9m h LYS 463 Cb 0.91 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3n9m h LYS 463 CO -0.24 1.20 0.00 1.47 -0.57 0.00 0.00 179.45 181.31 3n9m n LEU 464 N -3.84 0.73 -0.32 2.94 -0.00 0.27 -0.82 117.00 115.97 3n9m n LEU 464 Ca -0.27 0.65 0.11 0.00 -0.00 0.00 0.00 56.01 56.50 3n9m n LEU 464 Cb 0.93 -0.51 0.06 0.00 -0.00 0.00 0.00 43.42 43.90 3n9m n LEU 464 CO 0.40 -0.48 0.31 0.00 -0.00 0.00 0.00 177.39 177.62 3n9m n LEU 465 N -2.28 1.54 -0.08 1.47 -0.00 -0.98 -1.14 117.00 115.53 3n9m n LEU 465 Ca 0.03 -0.56 0.00 0.00 -0.00 0.00 0.00 56.01 55.48 3n9m n LEU 465 Cb 0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 3n9m n LEU 465 CO 0.23 0.30 0.33 1.67 -0.00 0.00 0.00 177.39 179.92 3n9m n GLN 466 N -0.54 0.71 -0.41 1.47 7.27 -0.00 -1.91 117.38 123.97 3n9m n GLN 466 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3n9m n GLN 466 Cb 0.41 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 32.00 3n9m n GLN 466 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3n9m n ARG 467 N -0.40 0.00 -1.56 3.69 1.74 -1.25 -4.99 116.66 113.89 3n9m n ARG 467 Ca 0.00 -0.56 -0.19 0.00 -0.77 0.00 0.00 57.85 56.33 3n9m n ARG 467 Cb 0.03 -0.31 -0.08 0.00 -1.02 0.00 0.00 32.46 31.08 3n9m n ARG 467 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3n9m n GLU 468 N 0.00 -1.50 -0.03 5.56 1.02 -0.80 -4.83 120.64 120.05 3n9m n GLU 468 Ca 0.00 1.18 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 3n9m n GLU 468 Cb 0.60 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 3n9m n GLU 468 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3n9m n GLU 469 N -2.14 0.86 -3.52 3.49 4.07 -0.30 -4.39 120.64 118.71 3n9m n GLU 469 Ca -0.19 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.82 3n9m n GLU 469 Cb 0.68 -1.07 -0.09 0.00 -0.06 0.00 0.00 31.44 30.89 3n9m n GLU 469 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 3n9m s TYR 470 N 0.16 -0.79 0.86 4.31 6.14 -1.25 -4.61 117.35 122.17 3n9m s TYR 470 Ca 0.00 1.18 -0.12 0.00 0.64 0.00 0.00 57.07 58.77 3n9m s TYR 470 Cb 0.00 0.16 0.11 0.00 0.42 0.00 0.00 41.96 42.64 3n9m s TYR 470 CO 0.00 -0.58 1.11 -0.51 0.64 0.00 0.00 175.55 176.21 3n9m s LEU 471 N 2.57 2.30 0.15 6.97 1.43 -1.22 -4.94 118.68 125.95 3n9m s LEU 471 Ca 0.05 1.20 -0.34 0.00 -1.03 0.00 0.00 54.13 54.01 3n9m s LEU 471 Cb -0.14 -3.67 -0.15 0.00 0.03 0.00 0.00 46.19 42.26 3n9m s LEU 471 CO -0.14 -2.31 1.34 -2.65 0.23 0.00 0.00 176.35 172.83 3n9m n PRO 472 N -3.64 1.48 0.07 1.29 -0.02 -1.26 -4.86 135.00 128.06 3n9m n PRO 472 Ca 0.07 0.53 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 3n9m n PRO 472 Cb 0.57 -2.15 0.42 0.00 -0.02 0.00 0.00 33.50 32.32 3n9m n PRO 472 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n9m h GLU 473 N 4.38 0.38 0.00 -0.52 4.57 -1.98 -1.86 114.58 119.55 3n9m h GLU 473 Ca -0.45 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3n9m h GLU 473 Cb 1.31 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3n9m h GLU 473 CO 0.77 0.35 0.00 -0.40 -1.18 0.00 0.00 179.01 178.55 3n9m n ASP 474 N -4.39 0.52 0.04 1.04 3.85 -1.26 -2.23 116.55 114.12 3n9m n ASP 474 Ca 0.01 0.61 0.12 0.00 -0.71 0.00 0.00 54.79 54.82 3n9m n ASP 474 Cb 0.16 -0.73 0.09 0.00 -1.35 0.00 0.00 41.12 39.28 3n9m n ASP 474 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3n9m n GLN 475 N -2.06 0.30 -2.15 0.11 6.02 -0.70 -4.93 117.38 113.97 3n9m n GLN 475 Ca 0.03 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 3n9m n GLN 475 Cb 0.25 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 3n9m n GLN 475 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3n9m s ARG 476 N -3.19 4.30 0.18 -1.09 3.52 -0.95 -4.88 118.95 116.84 3n9m s ARG 476 Ca 0.05 2.09 -0.31 0.00 -0.13 0.00 0.00 55.73 57.42 3n9m s ARG 476 Cb 0.14 -3.29 -0.10 0.00 -1.56 0.00 0.00 34.95 30.13 3n9m s ARG 476 CO 0.77 -0.48 1.56 -2.14 -0.81 0.00 0.00 175.30 174.20 3n9m s PRO 477 N 1.32 4.21 -0.88 5.12 0.02 -1.26 -4.87 135.00 138.65 3n9m s PRO 477 Ca 0.65 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 64.04 3n9m s PRO 477 Cb -0.37 -3.14 0.25 0.00 0.02 0.00 0.00 34.50 31.26 3n9m s PRO 477 CO 0.30 -0.59 0.93 1.17 -0.33 0.00 0.00 177.00 178.48 3n9m n LYS 478 N 3.75 3.03 0.00 5.54 4.81 0.22 -4.73 118.16 130.78 3n9m n LYS 478 Ca 0.13 -4.54 0.00 0.00 -0.87 0.00 0.00 58.31 53.03 3n9m n LYS 478 Cb 0.38 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.04 3n9m n LYS 478 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3n9m n VAL 479 N 1.73 0.00 0.67 3.15 0.24 -1.26 -4.17 118.33 118.69 3n9m n VAL 479 Ca 0.25 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.66 3n9m n VAL 479 Cb 0.37 1.15 0.10 0.00 -1.47 0.00 0.00 33.84 33.99 3n9m n VAL 479 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3n9m n GLU 480 N 0.00 0.22 -3.59 7.34 2.13 -1.25 -0.57 120.64 124.92 3n9m n GLU 480 Ca 0.00 0.02 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 3n9m n GLU 480 Cb 0.44 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.40 3n9m n GLU 480 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3n9m s GLN 481 N -3.14 0.32 0.07 5.31 -0.21 -1.25 -3.94 119.66 116.81 3n9m s GLN 481 Ca 0.06 -0.63 0.07 0.00 0.02 0.00 0.00 55.36 54.88 3n9m s GLN 481 Cb 0.15 -1.42 -0.03 0.00 1.00 0.00 0.00 33.01 32.71 3n9m s GLN 481 CO 0.76 -0.98 -0.19 -0.59 -2.12 0.00 0.00 175.29 172.17 3n9m s PHE 482 N 1.98 1.68 -0.09 0.91 -0.71 0.79 -1.39 117.98 121.16 3n9m s PHE 482 Ca 0.08 -0.40 -0.03 0.00 -1.04 0.00 0.00 56.93 55.55 3n9m s PHE 482 Cb -0.16 -0.96 -0.03 0.00 -1.21 0.00 0.00 43.02 40.65 3n9m s PHE 482 CO -0.32 0.13 0.03 0.00 -1.34 0.00 0.00 175.22 173.72 3n9m s LEU 484 N -0.90 0.95 0.02 0.00 2.96 0.13 -4.29 118.68 117.55 3n9m s LEU 484 Ca 0.14 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3n9m s LEU 484 Cb -0.11 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 3n9m s LEU 484 CO 0.03 -0.27 -0.09 0.00 -1.32 0.00 0.00 176.35 174.70 3n9m s ALA 485 N 1.91 2.95 -0.04 5.97 0.00 -1.26 0.11 121.76 131.40 3n9m s ALA 485 Ca 0.01 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 3n9m s ALA 485 Cb -0.16 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3n9m s ALA 485 CO -0.07 0.61 0.31 0.20 0.00 0.00 0.00 175.76 176.81 3n9m s GLY 486 N -1.51 -0.17 0.27 0.00 0.00 -0.46 -2.06 107.32 103.40 3n9m s GLY 486 Ca 0.17 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.21 3n9m s GLY 486 CO 0.08 0.27 0.66 1.06 0.00 0.00 0.00 173.10 175.17 3n9m s MET 487 N -0.98 3.97 0.45 2.90 -1.94 -1.23 -0.21 119.30 122.25 3n9m s MET 487 Ca -0.10 0.56 -0.25 0.00 -1.71 0.00 0.00 55.69 54.18 3n9m s MET 487 Cb -0.05 -2.59 -0.08 0.00 2.01 0.00 0.00 34.83 34.12 3n9m s MET 487 CO 0.03 0.26 1.39 0.00 -0.01 0.00 0.00 175.02 176.69 3n9m s ALA 488 N -1.84 3.21 0.00 3.03 0.00 -1.26 -2.39 121.76 122.52 3n9m s ALA 488 Ca 0.49 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3n9m s ALA 488 Cb -0.12 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3n9m s ALA 488 CO 0.19 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3n9m n GLY 489 N 0.61 0.74 3.84 0.00 0.00 0.12 -4.92 105.19 105.59 3n9m n GLY 489 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3n9m n GLY 489 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9m s SER 490 N -2.57 6.71 -0.03 1.61 0.01 -1.00 -4.91 113.70 113.52 3n9m s SER 490 Ca 0.00 1.52 -0.02 0.00 1.31 0.00 0.00 55.95 58.76 3n9m s SER 490 Cb 0.00 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.77 3n9m s SER 490 CO 0.00 -0.46 0.08 -0.47 0.41 0.00 0.00 173.24 172.79 3n9m s TYR 491 N -2.40 -0.07 -0.13 2.43 5.04 -1.26 -0.84 117.35 120.12 3n9m s TYR 491 Ca 0.58 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 55.47 3n9m s TYR 491 Cb -0.10 -0.07 -0.00 0.00 0.35 0.00 0.00 41.96 42.14 3n9m s TYR 491 CO 0.25 -0.08 -0.20 0.99 -1.34 0.00 0.00 175.55 175.17 3n9m s THR 492 N 0.61 2.36 0.65 4.34 2.01 0.15 -4.95 115.64 120.80 3n9m s THR 492 Ca -0.05 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 3n9m s THR 492 Cb -0.07 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 3n9m s THR 492 CO -0.02 0.54 1.04 -0.62 -0.69 0.00 0.00 174.62 174.87 3n9m s ASP 493 N 0.58 5.80 0.09 3.53 2.15 -1.26 -1.05 116.67 126.52 3n9m s ASP 493 Ca -0.11 1.56 -0.36 0.00 0.43 0.00 0.00 52.55 54.07 3n9m s ASP 493 Cb -0.16 -2.49 -0.17 0.00 -0.30 0.00 0.00 42.92 39.80 3n9m s ASP 493 CO 0.03 -1.16 1.25 0.49 -0.17 0.00 0.00 175.17 175.62 3n9m n PHE 494 N -2.79 1.31 -3.80 -5.34 3.01 -1.26 -4.66 117.46 103.94 3n9m n PHE 494 Ca 0.07 0.71 -0.09 0.00 1.01 0.00 0.00 57.45 59.15 3n9m n PHE 494 Cb 0.54 -2.28 -0.06 0.00 -0.01 0.00 0.00 39.48 37.66 3n9m n PHE 494 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 3n9m s HIS 495 N 0.25 0.06 -0.17 1.38 -3.43 -0.66 -4.93 115.29 107.79 3n9m s HIS 495 Ca 0.83 -0.45 -0.04 0.00 -0.80 0.00 0.00 55.06 54.60 3n9m s HIS 495 Cb -0.98 0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 30.20 3n9m s HIS 495 CO 0.49 -0.62 -0.03 0.08 -2.00 0.00 0.00 174.74 172.66 3n9m s VAL 496 N -3.86 3.84 0.36 -5.38 1.01 -1.26 -1.90 120.40 113.22 3n9m s VAL 496 Ca 0.06 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 3n9m s VAL 496 Cb 0.04 -2.70 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 3n9m s VAL 496 CO -0.10 0.47 1.46 0.47 0.00 0.00 0.00 175.10 177.40 3n9m n ASP 497 N 3.81 3.59 -4.62 3.32 10.43 -1.26 -4.86 116.55 126.96 3n9m n ASP 497 Ca -0.17 1.21 -0.44 0.00 2.57 0.00 0.00 54.79 57.96 3n9m n ASP 497 Cb 0.52 -1.59 -0.01 0.00 1.84 0.00 0.00 41.12 41.88 3n9m n ASP 497 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3n9m n PHE 498 N 0.63 1.55 -1.00 1.24 1.16 -1.26 -1.44 117.46 118.35 3n9m n PHE 498 Ca 0.03 0.66 0.00 0.00 -1.87 0.00 0.00 57.45 56.27 3n9m n PHE 498 Cb 0.38 -2.30 0.00 0.00 -1.61 0.00 0.00 39.48 35.95 3n9m n PHE 498 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3n9m n GLY 499 N 1.10 0.13 2.64 4.97 0.00 -1.26 -1.75 105.19 111.02 3n9m n GLY 499 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3n9m n GLY 499 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9m n GLY 500 N -0.05 -0.28 3.78 -0.02 0.00 -0.52 -4.69 105.19 103.41 3n9m n GLY 500 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3n9m n GLY 500 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n9m s SER 501 N -2.65 6.24 0.58 1.61 1.04 -0.72 -4.25 113.70 115.55 3n9m s SER 501 Ca 0.18 2.20 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 3n9m s SER 501 Cb -0.08 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 3n9m s SER 501 CO 0.23 -0.86 0.99 -0.44 0.98 0.00 0.00 173.24 174.13 3n9m s SER 502 N -1.51 6.31 -0.02 7.02 0.01 0.66 -4.59 113.70 121.59 3n9m s SER 502 Ca 0.64 1.39 0.04 0.00 1.31 0.00 0.00 55.95 59.32 3n9m s SER 502 Cb -0.25 -2.45 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 3n9m s SER 502 CO 0.31 -0.77 -0.13 -0.69 0.41 0.00 0.00 173.24 172.36 3n9m s VAL 503 N -3.01 1.09 -0.01 3.43 1.01 0.76 -1.30 120.40 122.38 3n9m s VAL 503 Ca 0.55 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3n9m s VAL 503 Cb -0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3n9m s VAL 503 CO 0.48 0.32 -0.11 -0.72 0.00 0.00 0.00 175.10 175.07 3n9m s TYR 504 N -0.09 2.77 -0.27 5.22 -0.85 -0.73 -0.56 117.35 122.85 3n9m s TYR 504 Ca 0.01 -0.11 -0.00 0.00 -0.52 0.00 0.00 57.07 56.44 3n9m s TYR 504 Cb -0.08 -1.59 0.14 0.00 0.38 0.00 0.00 41.96 40.81 3n9m s TYR 504 CO 0.00 0.29 0.37 -0.47 -1.52 0.00 0.00 175.55 174.22 3n9m s TYR 505 N -0.89 -0.80 -0.18 -3.49 5.04 -0.33 -1.19 117.35 115.51 3n9m s TYR 505 Ca 0.15 0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 55.11 3n9m s TYR 505 Cb -0.11 -0.17 -0.03 0.00 0.35 0.00 0.00 41.96 42.00 3n9m s TYR 505 CO 0.04 -0.87 -0.01 -1.58 -1.34 0.00 0.00 175.55 171.80 3n9m s HIS 506 N 2.50 3.04 -0.66 4.97 5.65 0.18 -0.11 115.29 130.86 3n9m s HIS 506 Ca 0.10 -0.39 -0.23 0.00 0.25 0.00 0.00 55.06 54.79 3n9m s HIS 506 Cb -0.14 -2.04 0.06 0.00 -1.18 0.00 0.00 32.58 29.28 3n9m s HIS 506 CO -0.25 -0.16 1.00 0.42 -0.65 0.00 0.00 174.74 175.10 3n9m s ILE 507 N 0.76 4.26 0.09 0.89 -1.09 -0.72 -1.18 121.20 124.22 3n9m s ILE 507 Ca -0.00 -0.21 0.09 0.00 -2.23 0.00 0.00 60.65 58.29 3n9m s ILE 507 Cb -0.14 -4.70 -0.13 0.00 -1.58 0.00 0.00 42.46 35.91 3n9m s ILE 507 CO 0.02 -1.47 1.36 0.25 -1.23 0.00 0.00 174.94 173.87 3n9m h LEU 508 N 11.50 0.00 -7.18 2.97 5.85 -1.62 0.45 115.31 127.28 3n9m h LEU 508 Ca -0.28 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 3n9m h LEU 508 Cb 1.07 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.84 3n9m h LEU 508 CO 1.18 0.86 -0.29 -0.54 -0.34 0.00 0.00 178.44 179.31 3n9m s LYS 509 N -2.88 0.40 0.00 1.25 1.02 -0.66 -4.63 119.74 114.25 3n9m s LYS 509 Ca 0.01 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.89 3n9m s LYS 509 Cb 0.10 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 3n9m s LYS 509 CO 0.80 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 3n9m n GLY 510 N 4.54 -0.73 3.24 -3.33 0.00 -1.26 -1.01 105.19 106.64 3n9m n GLY 510 Ca -0.20 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3n9m n GLY 510 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n9m s GLU 511 N 0.00 0.49 0.05 1.61 2.12 -1.26 -1.56 118.70 120.15 3n9m s GLU 511 Ca 0.00 0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.68 3n9m s GLU 511 Cb 0.00 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 3n9m s GLU 511 CO 0.00 -0.09 -0.16 0.15 -0.54 0.00 0.00 175.26 174.62 3n9m s LYS 512 N -0.25 1.01 -0.21 4.30 -0.14 -0.27 -3.79 119.74 120.39 3n9m s LYS 512 Ca -0.04 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.69 3n9m s LYS 512 Cb -0.03 -1.06 0.01 0.00 -1.68 0.00 0.00 37.83 35.07 3n9m s LYS 512 CO 0.02 0.26 -0.11 0.42 -0.76 0.00 0.00 175.35 175.17 3n9m s ILE 513 N -0.95 2.73 -0.16 2.17 1.01 0.22 -0.53 121.20 125.69 3n9m s ILE 513 Ca 0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 3n9m s ILE 513 Cb -0.09 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3n9m s ILE 513 CO 0.02 0.41 0.14 -0.36 0.00 0.00 0.00 174.94 175.16 3n9m s PHE 514 N 1.37 3.50 -0.27 3.97 0.40 0.14 -0.23 117.98 126.85 3n9m s PHE 514 Ca 0.04 0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 3n9m s PHE 514 Cb -0.14 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.34 3n9m s PHE 514 CO -0.07 0.48 -0.01 0.71 0.70 0.00 0.00 175.22 177.03 3n9m s TYR 515 N -0.23 3.14 0.21 0.36 2.02 0.69 -1.24 117.35 122.29 3n9m s TYR 515 Ca 0.11 -1.49 0.09 0.00 -0.37 0.00 0.00 57.07 55.41 3n9m s TYR 515 Cb -0.12 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 3n9m s TYR 515 CO 0.01 -0.71 -0.16 0.96 -1.57 0.00 0.00 175.55 174.08 3n9m s ILE 516 N 1.35 1.90 -0.12 2.71 -4.36 -0.46 -0.60 121.20 121.62 3n9m s ILE 516 Ca -0.01 -2.22 -0.06 0.00 -0.26 0.00 0.00 60.65 58.11 3n9m s ILE 516 Cb -0.18 -2.07 0.05 0.00 1.25 0.00 0.00 42.46 41.52 3n9m s ILE 516 CO -0.02 -0.52 0.28 0.00 0.24 0.00 0.00 174.94 174.92 3n9m s ALA 517 N -2.77 -0.67 0.47 2.27 0.00 0.21 0.10 121.76 121.37 3n9m s ALA 517 Ca 0.23 1.11 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 3n9m s ALA 517 Cb -0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 3n9m s ALA 517 CO 0.08 -0.27 1.10 0.00 0.00 0.00 0.00 175.76 176.67 3n9m n ALA 518 N 4.38 0.60 -1.30 0.00 0.00 -1.26 -2.04 120.51 120.89 3n9m n ALA 518 Ca -0.23 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 3n9m n ALA 518 Cb 0.53 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 3n9m n ALA 518 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3n9m n PRO 519 N -0.20 2.73 -3.12 0.00 -0.04 -1.26 -4.76 135.00 128.34 3n9m n PRO 519 Ca 0.09 -2.11 -0.24 0.00 -0.04 0.00 0.00 63.50 61.20 3n9m n PRO 519 Cb 0.41 -2.90 -0.00 0.00 -0.04 0.00 0.00 33.50 30.97 3n9m n PRO 519 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3n9m s THR 520 N 3.24 4.79 0.22 0.52 -4.23 -1.26 -4.95 115.64 113.96 3n9m s THR 520 Ca 0.54 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.64 3n9m s THR 520 Cb 0.15 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 70.37 3n9m s THR 520 CO -0.03 -0.57 1.77 -0.33 -0.54 0.00 0.00 174.62 174.92 3n9m h GLU 521 N 0.55 0.51 -0.13 3.99 5.08 -1.99 -0.51 114.58 122.07 3n9m h GLU 521 Ca -0.48 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3n9m h GLU 521 Cb 1.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3n9m h GLU 521 CO 0.60 0.34 0.07 0.37 -1.00 0.00 0.00 179.01 179.39 3n9m h GLN 522 N 0.52 0.19 -0.71 2.33 5.75 -1.96 0.41 115.11 121.64 3n9m h GLN 522 Ca 0.32 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.85 3n9m h GLN 522 Cb 0.35 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 3n9m h GLN 522 CO -0.27 0.23 0.47 -0.91 -2.65 0.00 0.00 178.83 175.70 3n9m h ASN 523 N 0.10 0.68 0.07 -0.69 2.35 -1.74 0.19 115.58 116.54 3n9m h ASN 523 Ca 0.05 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3n9m h ASN 523 Cb 0.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3n9m h ASN 523 CO -0.01 0.45 -0.03 -0.26 -1.65 0.00 0.00 177.43 175.93 3n9m h PHE 524 N 0.78 -0.09 -0.58 1.19 0.04 -0.72 -0.12 116.94 117.45 3n9m h PHE 524 Ca 0.30 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.18 3n9m h PHE 524 Cb 0.18 0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.26 3n9m h PHE 524 CO -0.00 0.22 0.06 0.00 -0.60 0.00 0.00 178.31 177.98 3n9m h ALA 525 N 0.50 0.63 -0.32 2.45 0.00 -0.13 0.50 119.26 122.89 3n9m h ALA 525 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3n9m h ALA 525 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3n9m h ALA 525 CO 0.02 -0.36 0.15 0.00 0.00 0.00 0.00 179.25 179.06 3n9m h ALA 526 N 1.50 0.41 -0.39 0.00 0.00 -0.59 -2.13 119.26 118.07 3n9m h ALA 526 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3n9m h ALA 526 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3n9m h ALA 526 CO -0.45 -0.03 0.25 -0.92 0.00 0.00 0.00 179.25 178.11 3n9m h TYR 527 N 0.38 0.49 -0.43 0.00 3.20 0.14 -1.60 116.97 119.15 3n9m h TYR 527 Ca 0.11 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.06 3n9m h TYR 527 Cb 0.12 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 3n9m h TYR 527 CO -0.02 0.32 0.05 0.37 -1.64 0.00 0.00 178.16 177.24 3n9m h GLN 528 N 0.52 0.17 -0.52 1.82 4.15 0.12 0.27 115.11 121.63 3n9m h GLN 528 Ca 0.14 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.57 3n9m h GLN 528 Cb -0.05 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3n9m h GLN 528 CO -0.03 0.11 0.32 0.00 -1.93 0.00 0.00 178.83 177.30 3n9m h ALA 529 N 1.35 0.67 -0.72 3.38 0.00 -1.06 -0.54 119.26 122.34 3n9m h ALA 529 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3n9m h ALA 529 Cb 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3n9m h ALA 529 CO -0.31 0.03 0.47 1.25 0.00 0.00 0.00 179.25 180.69 3n9m h HIS 530 N 0.63 0.90 -0.40 0.00 -0.00 -0.44 0.18 115.15 116.02 3n9m h HIS 530 Ca 0.21 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.49 3n9m h HIS 530 Cb 0.01 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 3n9m h HIS 530 CO -0.06 0.56 -0.21 0.93 -0.00 0.00 0.00 177.93 179.14 3n9m h GLU 531 N 0.96 0.78 -0.00 5.26 4.39 -0.59 -3.16 114.58 122.22 3n9m h GLU 531 Ca 0.27 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3n9m h GLU 531 Cb -0.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3n9m h GLU 531 CO -0.07 0.92 -0.38 0.25 -1.16 0.00 0.00 179.01 178.58 3n9m n THR 532 N -4.12 0.00 -2.84 1.13 -2.24 -0.24 -4.90 114.28 101.08 3n9m n THR 532 Ca 0.00 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 3n9m n THR 532 Cb 0.43 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 3n9m n THR 532 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n9m s SER 533 N -2.86 7.07 0.36 3.42 0.15 0.03 -4.92 113.70 116.95 3n9m s SER 533 Ca 0.15 1.71 0.25 0.00 0.70 0.00 0.00 55.95 58.76 3n9m s SER 533 Cb 0.18 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 62.54 3n9m s SER 533 CO 0.63 -0.23 1.69 -0.65 1.20 0.00 0.00 173.24 175.88 3n9m h PRO 534 N 2.43 0.00 -6.82 5.44 0.11 -1.90 -3.46 132.00 127.80 3n9m h PRO 534 Ca -0.48 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.07 3n9m h PRO 534 Cb 1.18 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.41 3n9m h PRO 534 CO 0.63 0.00 0.53 -3.47 -0.21 0.00 0.00 178.00 175.47 3n9m n ASP 535 N -2.78 2.74 0.00 -2.05 2.03 -1.26 -4.90 116.55 110.34 3n9m n ASP 535 Ca 0.04 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.50 3n9m n ASP 535 Cb 0.47 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 3n9m n ASP 535 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3n9m n THR 536 N -0.00 0.00 0.44 5.18 5.66 -1.26 -4.78 114.28 119.51 3n9m n THR 536 Ca 0.06 -0.08 0.05 0.00 -3.05 0.00 0.00 64.05 61.03 3n9m n THR 536 Cb 0.39 1.83 -0.01 0.00 -1.55 0.00 0.00 70.33 70.99 3n9m n THR 536 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3n9m n THR 537 N -0.00 0.00 -4.29 1.09 -2.24 -1.26 -0.82 114.28 106.75 3n9m n THR 537 Ca 0.00 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 3n9m n THR 537 Cb 0.21 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 3n9m n THR 537 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n9m s THR 538 N -1.39 4.23 -0.22 4.28 2.01 -1.26 -4.72 115.64 118.57 3n9m s THR 538 Ca 0.08 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 3n9m s THR 538 Cb 0.08 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 3n9m s THR 538 CO 0.26 0.51 0.78 0.86 -0.69 0.00 0.00 174.62 176.34 3n9m s TRP 539 N 0.04 3.34 0.47 4.92 -0.00 -1.26 -4.93 118.94 121.53 3n9m s TRP 539 Ca 0.02 1.10 0.29 0.00 -0.00 0.00 0.00 56.10 57.51 3n9m s TRP 539 Cb -0.13 -2.98 1.36 0.00 -0.00 0.00 0.00 33.47 31.71 3n9m s TRP 539 CO 0.02 -0.32 1.77 0.35 -0.00 0.00 0.00 176.95 178.77 3n9m h PHE 540 N 7.59 0.32 -0.54 5.86 3.57 -1.98 0.57 116.94 132.34 3n9m h PHE 540 Ca -0.26 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.27 3n9m h PHE 540 Cb 1.11 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3n9m h PHE 540 CO 0.74 0.01 0.36 0.78 -2.23 0.00 0.00 178.31 177.96 3n9m h GLY 541 N 0.17 0.73 2.00 2.40 0.00 -1.97 -1.72 103.07 104.68 3n9m h GLY 541 Ca 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3n9m h GLY 541 CO -0.17 0.24 0.00 -0.55 0.00 0.00 0.00 176.54 176.07 3n9m h ASP 542 N 0.67 0.00 0.00 0.19 3.45 -0.25 -3.06 116.42 117.43 3n9m h ASP 542 Ca 0.21 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.67 3n9m h ASP 542 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3n9m h ASP 542 CO -0.05 0.00 -0.09 2.30 -1.57 0.00 0.00 179.24 179.83 3n9m n ILE 543 N -2.79 1.91 -1.11 0.35 -5.35 -0.89 -4.70 119.36 106.78 3n9m n ILE 543 Ca 0.03 -2.40 -0.07 0.00 -0.27 0.00 0.00 62.75 60.04 3n9m n ILE 543 Cb 0.39 -0.23 0.28 0.00 -1.74 0.00 0.00 39.64 38.33 3n9m n ILE 543 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n9m n ALA 544 N -1.37 4.54 -2.93 -1.28 0.00 -0.70 -4.94 120.51 113.83 3n9m n ALA 544 Ca 0.16 -2.50 -0.16 0.00 0.00 0.00 0.00 53.44 50.95 3n9m n ALA 544 Cb 0.65 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 3n9m n ALA 544 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3n9m n ASN 545 N -0.41 -3.13 0.00 0.00 5.15 -1.26 -1.58 115.26 114.02 3n9m n ASN 545 Ca 0.41 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 3n9m n ASN 545 Cb 1.35 -2.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 3n9m n ASN 545 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3n9m n GLY 546 N -0.91 0.69 0.12 8.20 0.00 -1.26 -4.95 105.19 107.08 3n9m n GLY 546 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3n9m n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9m h ALA 547 N 0.00 0.54 -2.29 4.61 0.00 -1.62 -3.45 119.26 117.04 3n9m h ALA 547 Ca 0.00 -0.74 -0.55 0.00 0.00 0.00 0.00 54.91 53.62 3n9m h ALA 547 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3n9m h ALA 547 CO 0.00 0.96 0.82 0.08 0.00 0.00 0.00 179.25 181.11 3n9m s VAL 548 N -3.16 4.03 0.38 0.00 1.01 -1.26 -4.49 120.40 116.92 3n9m s VAL 548 Ca -0.02 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.39 3n9m s VAL 548 Cb 0.10 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3n9m s VAL 548 CO 0.82 -0.04 0.16 -0.54 0.00 0.00 0.00 175.10 175.50 3n9m s LYS 549 N 2.71 2.28 -0.08 2.72 -0.14 0.11 -4.45 119.74 122.90 3n9m s LYS 549 Ca 0.59 -1.71 0.03 0.00 -1.36 0.00 0.00 55.97 53.52 3n9m s LYS 549 Cb -0.27 -2.07 -0.02 0.00 -1.68 0.00 0.00 37.83 33.80 3n9m s LYS 549 CO 0.22 -0.02 -0.17 0.50 -0.76 0.00 0.00 175.35 175.13 3n9m s ARG 550 N -3.88 2.77 -0.10 1.68 3.52 0.73 -1.35 118.95 122.33 3n9m s ARG 550 Ca 0.40 -0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 3n9m s ARG 550 Cb 0.01 -2.40 0.05 0.00 -1.56 0.00 0.00 34.95 31.05 3n9m s ARG 550 CO 0.23 0.44 0.23 0.54 -0.81 0.00 0.00 175.30 175.93 3n9m s VAL 551 N -0.27 -0.06 -0.16 7.11 0.11 -0.38 -4.15 120.40 122.61 3n9m s VAL 551 Ca 0.01 0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.14 3n9m s VAL 551 Cb -0.13 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 3n9m s VAL 551 CO 0.03 0.07 0.13 -0.69 -3.33 0.00 0.00 175.10 171.31 3n9m s VAL 552 N 1.32 5.44 -0.20 2.04 1.01 -1.26 -0.68 120.40 128.07 3n9m s VAL 552 Ca -0.09 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3n9m s VAL 552 Cb -0.11 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.88 3n9m s VAL 552 CO -0.08 0.53 -0.15 -0.63 0.00 0.00 0.00 175.10 174.77 3n9m s ILE 553 N -0.34 1.98 0.58 2.22 1.09 0.31 -5.01 121.20 122.03 3n9m s ILE 553 Ca 0.11 -1.13 0.05 0.00 -1.10 0.00 0.00 60.65 58.59 3n9m s ILE 553 Cb -0.12 -1.93 0.07 0.00 -1.06 0.00 0.00 42.46 39.43 3n9m s ILE 553 CO 0.01 0.31 0.80 -0.54 -0.10 0.00 0.00 174.94 175.41 3n9m s LYS 554 N 1.27 2.29 0.20 2.79 1.02 -1.26 -1.11 119.74 124.94 3n9m s LYS 554 Ca -0.00 -1.29 -0.32 0.00 0.02 0.00 0.00 55.97 54.37 3n9m s LYS 554 Cb -0.16 -2.57 -0.14 0.00 -0.52 0.00 0.00 37.83 34.45 3n9m s LYS 554 CO -0.10 -0.87 1.47 -1.91 -0.92 0.00 0.00 175.35 173.03 3n9m n GLU 555 N -2.33 2.05 0.00 1.68 2.13 -0.60 -1.37 120.64 122.20 3n9m n GLU 555 Ca 0.13 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.68 3n9m n GLU 555 Cb 0.60 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.88 3n9m n GLU 555 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3n9m n GLY 556 N 2.65 3.07 3.82 8.31 0.00 0.16 -5.02 105.19 118.18 3n9m n GLY 556 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3n9m n GLY 556 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n9m s GLN 557 N -0.30 3.25 0.03 1.61 -0.21 -0.47 -4.29 119.66 119.28 3n9m s GLN 557 Ca 0.00 1.00 0.05 0.00 0.02 0.00 0.00 55.36 56.43 3n9m s GLN 557 Cb 0.00 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 3n9m s GLN 557 CO 0.00 -0.85 -0.15 0.99 -2.12 0.00 0.00 175.29 173.15 3n9m s THR 558 N -2.85 1.20 -0.12 -0.19 2.01 0.14 -1.75 115.64 114.09 3n9m s THR 558 Ca 0.59 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.69 3n9m s THR 558 Cb -0.14 -1.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 3n9m s THR 558 CO 0.47 0.12 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.09 3n9m s LEU 559 N -0.94 2.23 -0.26 4.42 2.96 0.84 -0.63 118.68 127.30 3n9m s LEU 559 Ca 0.03 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3n9m s LEU 559 Cb -0.07 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.20 3n9m s LEU 559 CO 0.01 0.14 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.32 3n9m s LEU 560 N 0.46 3.35 -0.19 -0.68 1.43 0.27 -1.19 118.68 122.14 3n9m s LEU 560 Ca -0.14 -1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 51.69 3n9m s LEU 560 Cb -0.17 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3n9m s LEU 560 CO 0.06 -0.17 -0.13 -0.63 0.23 0.00 0.00 176.35 175.71 3n9m s ILE 561 N 1.16 2.75 0.42 -0.59 1.01 0.28 -1.30 121.20 124.93 3n9m s ILE 561 Ca -0.06 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 3n9m s ILE 561 Cb -0.19 -2.20 0.10 0.00 0.01 0.00 0.00 42.46 40.18 3n9m s ILE 561 CO -0.05 0.49 0.43 -2.65 0.00 0.00 0.00 174.94 173.16 3n9m n PRO 562 N 4.50 -1.37 -2.40 2.79 -0.02 -1.26 -0.17 135.00 137.07 3n9m n PRO 562 Ca -0.19 -0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 60.19 3n9m n PRO 562 Cb 0.51 -0.57 -0.04 0.00 -0.02 0.00 0.00 33.50 33.38 3n9m n PRO 562 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n9m s ALA 563 N -3.32 3.42 0.00 3.55 0.00 -1.26 -4.08 121.76 120.07 3n9m s ALA 563 Ca 0.27 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3n9m s ALA 563 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3n9m s ALA 563 CO 0.20 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3n9m n GLY 564 N 2.15 1.92 3.69 0.00 0.00 -1.26 -4.86 105.19 106.82 3n9m n GLY 564 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3n9m n GLY 564 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3n9m n TRP 565 N -2.00 2.58 -2.71 1.61 7.02 -1.26 -4.40 117.44 118.29 3n9m n TRP 565 Ca 0.00 -0.14 -0.42 0.00 -1.02 0.00 0.00 57.50 55.91 3n9m n TRP 565 Cb 0.00 -2.73 -0.03 0.00 -2.42 0.00 0.00 31.31 26.14 3n9m n TRP 565 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3n9m s ILE 566 N 2.89 4.81 -0.08 -0.99 1.01 -0.87 -4.54 121.20 123.43 3n9m s ILE 566 Ca 0.83 2.03 -0.12 0.00 0.00 0.00 0.00 60.65 63.39 3n9m s ILE 566 Cb -0.50 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 37.69 3n9m s ILE 566 CO 0.39 0.04 0.30 -1.38 0.00 0.00 0.00 174.94 174.29 3n9m s HIS 567 N 1.78 -0.27 0.20 3.97 -3.43 -0.80 -0.62 115.29 116.12 3n9m s HIS 567 Ca 0.49 0.62 0.11 0.00 -0.80 0.00 0.00 55.06 55.47 3n9m s HIS 567 Cb -0.19 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 3n9m s HIS 567 CO 0.20 -0.24 -0.22 0.00 -2.00 0.00 0.00 174.74 172.48 3n9m s ALA 568 N -0.37 2.45 -0.07 -1.38 0.00 0.23 -1.66 121.76 120.95 3n9m s ALA 568 Ca -0.05 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.27 3n9m s ALA 568 Cb -0.03 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3n9m s ALA 568 CO 0.02 0.35 -0.10 0.08 0.00 0.00 0.00 175.76 176.10 3n9m s VAL 569 N -1.95 1.04 -0.15 0.00 1.01 -0.21 -0.22 120.40 119.91 3n9m s VAL 569 Ca 0.22 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3n9m s VAL 569 Cb -0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3n9m s VAL 569 CO 0.10 0.34 -0.01 -0.22 0.00 0.00 0.00 175.10 175.31 3n9m s LEU 570 N 0.89 3.40 -0.58 3.92 2.96 0.68 -0.67 118.68 129.27 3n9m s LEU 570 Ca -0.11 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3n9m s LEU 570 Cb -0.15 -1.82 0.15 0.00 0.50 0.00 0.00 46.19 44.87 3n9m s LEU 570 CO 0.01 0.21 0.41 -0.89 -1.32 0.00 0.00 176.35 174.77 3n9m s THR 571 N 0.15 3.87 0.10 3.68 2.01 -0.02 -0.61 115.64 124.81 3n9m s THR 571 Ca 0.00 -2.60 0.21 0.00 0.31 0.00 0.00 61.69 59.61 3n9m s THR 571 Cb -0.13 -3.53 0.18 0.00 0.01 0.00 0.00 72.50 69.03 3n9m s THR 571 CO 0.02 -0.84 1.74 -0.65 -0.69 0.00 0.00 174.62 174.20 3n9m h PRO 572 N 7.46 0.00 -4.38 4.92 0.11 -1.85 0.36 132.00 138.62 3n9m h PRO 572 Ca -0.05 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.74 3n9m h PRO 572 Cb 0.99 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.83 3n9m h PRO 572 CO 0.73 0.30 -0.75 0.08 -0.21 0.00 0.00 178.00 178.15 3n9m s VAL 573 N -3.54 0.45 0.03 3.15 1.01 -1.26 -4.27 120.40 115.97 3n9m s VAL 573 Ca 0.01 -0.38 -0.39 0.00 0.00 0.00 0.00 61.98 61.22 3n9m s VAL 573 Cb 0.10 -0.41 -0.19 0.00 0.00 0.00 0.00 36.38 35.88 3n9m s VAL 573 CO 0.67 0.04 1.13 0.47 0.00 0.00 0.00 175.10 177.40 3n9m n ASP 574 N 2.69 0.38 -4.12 3.32 10.43 -1.26 -4.29 116.55 123.70 3n9m n ASP 574 Ca -0.15 1.15 -0.15 0.00 2.57 0.00 0.00 54.79 58.21 3n9m n ASP 574 Cb 0.58 -0.99 -0.12 0.00 1.84 0.00 0.00 41.12 42.43 3n9m n ASP 574 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3n9m s SER 575 N 0.10 1.24 -0.07 -2.24 0.01 0.70 -4.11 113.70 109.33 3n9m s SER 575 Ca 0.89 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3n9m s SER 575 Cb -1.18 0.00 0.02 0.00 0.21 0.00 0.00 66.02 65.07 3n9m s SER 575 CO 0.54 -0.16 -0.05 -0.22 0.41 0.00 0.00 173.24 173.76 3n9m s LEU 576 N -1.75 1.17 0.04 2.44 2.96 -0.18 -1.35 118.68 122.01 3n9m s LEU 576 Ca -0.05 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3n9m s LEU 576 Cb -0.09 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 3n9m s LEU 576 CO 0.01 -0.09 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.16 3n9m s VAL 577 N 1.29 0.75 -0.03 1.68 1.01 0.29 -1.60 120.40 123.80 3n9m s VAL 577 Ca -0.05 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.07 3n9m s VAL 577 Cb -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3n9m s VAL 577 CO -0.02 -0.17 -0.25 -0.36 0.00 0.00 0.00 175.10 174.31 3n9m s PHE 578 N -1.00 2.24 0.10 5.22 0.40 -0.32 0.22 117.98 124.84 3n9m s PHE 578 Ca -0.04 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 55.77 3n9m s PHE 578 Cb -0.08 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 42.02 3n9m s PHE 578 CO 0.01 -0.07 0.24 0.41 0.70 0.00 0.00 175.22 176.51 3n9m n GLY 579 N 2.57 1.57 3.53 4.36 0.00 -0.36 0.49 105.19 117.36 3n9m n GLY 579 Ca -0.16 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 3n9m n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n9m s GLY 580 N -1.75 -0.40 -0.06 -0.02 0.00 -0.33 -0.15 107.32 104.62 3n9m s GLY 580 Ca 0.05 1.32 0.02 0.00 0.00 0.00 0.00 44.72 46.11 3n9m s GLY 580 CO 0.03 0.53 -0.11 -1.31 0.00 0.00 0.00 173.10 172.24 3n9m s ASN 581 N -2.11 4.29 -0.01 1.64 -0.87 0.27 -1.77 114.94 116.37 3n9m s ASN 581 Ca 0.04 -0.13 -0.10 0.00 -1.57 0.00 0.00 52.86 51.10 3n9m s ASN 581 Cb -0.01 -1.02 0.01 0.00 -0.02 0.00 0.00 41.25 40.21 3n9m s ASN 581 CO -0.06 0.34 0.20 0.72 -2.57 0.00 0.00 177.10 175.74 3n9m s PHE 582 N -0.71 -0.06 0.07 2.20 -0.12 -0.42 -3.82 117.98 115.12 3n9m s PHE 582 Ca 0.11 0.08 -0.00 0.00 -0.05 0.00 0.00 56.93 57.06 3n9m s PHE 582 Cb -0.11 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 3n9m s PHE 582 CO 0.01 -0.30 0.22 -0.51 -0.05 0.00 0.00 175.22 174.59 3n9m s LEU 583 N -1.19 4.35 -0.02 -1.99 1.43 -1.26 -0.24 118.68 119.76 3n9m s LEU 583 Ca -0.13 0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.03 3n9m s LEU 583 Cb -0.06 -2.98 0.05 0.00 0.03 0.00 0.00 46.19 43.23 3n9m s LEU 583 CO 0.02 0.16 0.51 -1.38 0.23 0.00 0.00 176.35 175.89 3n9m s HIS 584 N -1.53 -0.44 0.54 0.29 -3.43 -1.26 -0.70 115.29 108.77 3n9m s HIS 584 Ca 0.35 0.68 0.25 0.00 -0.80 0.00 0.00 55.06 55.53 3n9m s HIS 584 Cb -0.13 0.28 1.57 0.00 -1.43 0.00 0.00 32.58 32.87 3n9m s HIS 584 CO 0.28 -0.54 2.19 -0.07 -2.00 0.00 0.00 174.74 174.60 3n9m h LEU 585 N 3.26 0.00 -1.78 5.38 4.07 -1.96 -1.90 115.31 122.38 3n9m h LEU 585 Ca -0.29 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.67 3n9m h LEU 585 Cb 1.17 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 3n9m h LEU 585 CO 0.40 0.03 -0.01 1.23 -1.08 0.00 0.00 178.44 179.01 3n9m h GLY 586 N 0.14 0.00 -0.95 0.83 0.00 -1.84 -2.79 103.07 98.46 3n9m h GLY 586 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3n9m h GLY 586 CO 0.00 0.00 -0.31 0.70 0.00 0.00 0.00 176.54 176.93 3n9m n ASN 587 N -3.11 2.04 0.01 0.19 4.13 -0.72 -4.53 115.26 113.27 3n9m n ASN 587 Ca -0.00 -3.68 -0.10 0.00 1.68 0.00 0.00 54.58 52.48 3n9m n ASN 587 Cb 0.26 -0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 37.93 3n9m n ASN 587 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3n9m h LEU 588 N 0.81 -0.18 -0.16 3.41 5.85 -1.43 0.55 115.31 124.17 3n9m h LEU 588 Ca 0.03 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3n9m h LEU 588 Cb 1.11 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3n9m h LEU 588 CO 0.06 -0.08 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.67 3n9m h GLU 589 N -0.06 -0.07 -0.56 1.25 5.08 -1.88 -0.22 114.58 118.11 3n9m h GLU 589 Ca 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3n9m h GLU 589 Cb 0.14 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3n9m h GLU 589 CO -0.12 -0.05 0.20 1.98 -1.00 0.00 0.00 179.01 180.02 3n9m h MET 590 N -0.08 0.83 -0.46 2.33 4.05 -1.87 -0.49 114.93 119.23 3n9m h MET 590 Ca 0.09 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 3n9m h MET 590 Cb 0.21 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3n9m h MET 590 CO -0.20 0.70 0.23 1.96 0.23 0.00 0.00 176.91 179.82 3n9m h GLN 591 N 0.81 0.66 -0.23 0.39 4.20 -0.11 -0.70 115.11 120.12 3n9m h GLN 591 Ca 0.19 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 3n9m h GLN 591 Cb 0.20 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3n9m h GLN 591 CO -0.01 0.56 -0.20 0.52 -0.67 0.00 0.00 178.83 179.03 3n9m h MET 592 N 0.60 0.42 -0.30 1.46 2.86 -0.62 -1.96 114.93 117.38 3n9m h MET 592 Ca 0.16 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3n9m h MET 592 Cb 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3n9m h MET 592 CO -0.02 0.60 0.05 0.00 1.06 0.00 0.00 176.91 178.60 3n9m h ARG 593 N 0.38 0.49 -0.79 1.72 3.08 -0.49 -1.66 114.38 117.11 3n9m h ARG 593 Ca 0.06 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3n9m h ARG 593 Cb 0.56 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 3n9m h ARG 593 CO 0.04 0.59 0.37 0.28 -1.07 0.00 0.00 179.97 180.17 3n9m h VAL 594 N 0.31 1.25 -0.58 2.04 2.07 -1.03 -1.36 116.25 118.95 3n9m h VAL 594 Ca 0.09 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3n9m h VAL 594 Cb 0.33 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3n9m h VAL 594 CO 0.00 0.30 0.30 0.22 0.02 0.00 0.00 177.57 178.41 3n9m h TYR 595 N 1.12 0.80 0.08 1.57 3.20 -1.14 0.37 116.97 122.97 3n9m h TYR 595 Ca 0.27 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3n9m h TYR 595 Cb 0.13 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3n9m h TYR 595 CO 0.01 0.58 -0.04 0.45 -1.64 0.00 0.00 178.16 177.52 3n9m h HIS 596 N 0.82 -0.10 -0.36 -3.82 3.86 -0.75 -1.21 115.15 113.59 3n9m h HIS 596 Ca 0.21 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.49 3n9m h HIS 596 Cb 0.06 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 3n9m h HIS 596 CO 0.01 0.12 -0.10 1.25 0.86 0.00 0.00 177.93 180.07 3n9m h LEU 597 N -0.31 -0.38 -0.13 2.43 5.85 -0.49 -0.59 115.31 121.70 3n9m h LEU 597 Ca -0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3n9m h LEU 597 Cb 0.26 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3n9m h LEU 597 CO 0.02 -0.13 0.04 -0.33 -0.34 0.00 0.00 178.44 177.69 3n9m h GLU 598 N -0.02 0.09 -0.57 1.25 5.08 -0.26 -0.63 114.58 119.54 3n9m h GLU 598 Ca 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3n9m h GLU 598 Cb 0.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3n9m h GLU 598 CO -0.38 0.06 0.31 -0.91 -1.00 0.00 0.00 179.01 177.09 3n9m h ASN 599 N 0.10 0.69 -0.18 1.42 2.35 -0.77 0.78 115.58 119.97 3n9m h ASN 599 Ca 0.05 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3n9m h ASN 599 Cb 0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3n9m h ASN 599 CO -0.06 0.55 -0.06 0.00 -1.65 0.00 0.00 177.43 176.21 3n9m h ALA 600 N 1.56 0.25 -0.88 -0.83 0.00 -0.82 -3.02 119.26 115.52 3n9m h ALA 600 Ca 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3n9m h ALA 600 Cb 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3n9m h ALA 600 CO -0.03 0.04 0.52 0.82 0.00 0.00 0.00 179.25 180.60 3n9m h ILE 601 N 0.06 1.24 0.00 0.00 2.04 -0.52 -2.55 117.51 117.79 3n9m h ILE 601 Ca 0.04 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3n9m h ILE 601 Cb 0.52 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3n9m h ILE 601 CO 0.02 0.26 -0.17 -0.09 0.00 0.00 0.00 178.15 178.17 3n9m h ARG 602 N 1.22 0.00 0.00 2.37 2.43 -0.83 -2.44 114.38 117.13 3n9m h ARG 602 Ca 0.32 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3n9m h ARG 602 Cb -0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3n9m h ARG 602 CO -0.06 0.17 -0.35 0.87 -1.51 0.00 0.00 179.97 179.09 3n9m h LYS 603 N 0.00 0.00 0.03 0.20 1.57 -1.32 -3.37 116.57 113.67 3n9m h LYS 603 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 3n9m h LYS 603 Cb 0.41 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3n9m h LYS 603 CO 0.02 0.18 -2.00 -1.91 -0.57 0.00 0.00 179.45 175.18 3n9m n GLU 604 N -3.08 0.67 -4.44 3.15 4.07 -0.93 -4.85 120.64 115.23 3n9m n GLU 604 Ca 0.02 0.21 -0.21 0.00 -0.06 0.00 0.00 57.16 57.12 3n9m n GLU 604 Cb 0.62 -1.69 -0.16 0.00 -0.06 0.00 0.00 31.44 30.15 3n9m n GLU 604 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3n9m s ILE 605 N -2.56 0.86 -0.99 6.31 -5.25 -1.11 -5.08 121.20 113.39 3n9m s ILE 605 Ca -0.12 -0.39 -0.24 0.00 -0.99 0.00 0.00 60.65 58.91 3n9m s ILE 605 Cb 0.07 -0.77 -0.04 0.00 2.95 0.00 0.00 42.46 44.68 3n9m s ILE 605 CO 0.79 0.27 1.88 -0.13 -1.79 0.00 0.00 174.94 175.96 3n9m s ARG 606 N 0.25 2.72 0.00 0.37 0.52 -1.26 -4.61 118.95 116.94 3n9m s ARG 606 Ca -0.04 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 3n9m s ARG 606 Cb -0.10 -5.15 0.00 0.00 0.52 0.00 0.00 34.95 30.22 3n9m s ARG 606 CO 0.01 -3.31 0.19 -1.13 0.02 0.00 0.00 175.30 171.07 3n9m n SER 607 N 13.24 0.00 0.00 0.23 3.41 -1.26 -4.81 113.62 124.44 3n9m n SER 607 Ca 0.40 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3n9m n SER 607 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3n9m n SER 607 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n9m n GLU 608 N -0.47 0.00 -0.07 4.33 -0.58 -1.26 -4.27 120.64 118.32 3n9m n GLU 608 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3n9m n GLU 608 Cb 0.00 -3.53 -0.15 0.00 -0.57 0.00 0.00 31.44 27.19 3n9m n GLU 608 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3n9m n GLU 609 N -1.11 0.67 -1.72 3.49 0.28 -1.26 -4.93 120.64 116.05 3n9m n GLU 609 Ca 0.00 0.12 -0.43 0.00 -0.16 0.00 0.00 57.16 56.70 3n9m n GLU 609 Cb 0.00 -1.63 -0.02 0.00 1.43 0.00 0.00 31.44 31.21 3n9m n GLU 609 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3n9m n LYS 610 N -2.89 2.52 -3.37 3.44 5.02 -1.26 -4.78 118.16 116.84 3n9m n LYS 610 Ca -0.27 0.90 -0.38 0.00 -2.02 0.00 0.00 58.31 56.54 3n9m n LYS 610 Cb 1.11 -2.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 3n9m n LYS 610 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3n9m s PHE 611 N 0.16 3.62 0.24 2.13 5.36 -1.26 -5.07 117.98 123.16 3n9m s PHE 611 Ca 0.67 0.97 0.10 0.00 -0.96 0.00 0.00 56.93 57.70 3n9m s PHE 611 Cb -0.54 -2.46 -0.05 0.00 -0.34 0.00 0.00 43.02 39.63 3n9m s PHE 611 CO 0.46 0.38 -0.17 0.71 -1.46 0.00 0.00 175.22 175.14 3n9m s TYR 612 N -0.15 1.97 -0.14 10.12 1.51 -1.26 -4.77 117.35 124.64 3n9m s TYR 612 Ca 0.25 -0.47 -0.32 0.00 -1.01 0.00 0.00 57.07 55.52 3n9m s TYR 612 Cb -0.16 -0.89 -0.10 0.00 -0.11 0.00 0.00 41.96 40.70 3n9m s TYR 612 CO 0.12 0.52 2.03 0.34 -1.11 0.00 0.00 175.55 177.45 3n9m n PHE 613 N -0.49 2.17 -1.87 2.71 7.35 -1.26 -4.89 117.46 121.18 3n9m n PHE 613 Ca -0.07 -0.06 -0.41 0.00 -0.76 0.00 0.00 57.45 56.15 3n9m n PHE 613 Cb 0.60 -2.69 -0.01 0.00 0.35 0.00 0.00 39.48 37.74 3n9m n PHE 613 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3n9m s PRO 614 N 5.01 4.17 -1.38 -7.13 0.02 -1.26 -2.97 135.00 131.46 3n9m s PRO 614 Ca 0.97 2.49 -0.11 0.00 0.02 0.00 0.00 61.00 64.36 3n9m s PRO 614 Cb -0.59 -3.01 0.09 0.00 0.02 0.00 0.00 34.50 31.01 3n9m s PRO 614 CO 0.46 -0.49 0.59 0.09 -0.33 0.00 0.00 177.00 177.31 3n9m n ASN 615 N 1.14 -3.79 -0.13 2.53 3.02 -1.26 -4.70 115.26 112.07 3n9m n ASN 615 Ca 0.03 -0.53 -0.05 0.00 -0.03 0.00 0.00 54.58 54.01 3n9m n ASN 615 Cb 0.39 -3.12 0.04 0.00 -0.61 0.00 0.00 39.78 36.48 3n9m n ASN 615 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3n9m h PHE 616 N -1.17 0.24 -0.01 3.10 3.57 -1.93 -0.69 116.94 120.05 3n9m h PHE 616 Ca -0.47 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 3n9m h PHE 616 Cb 1.31 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3n9m h PHE 616 CO 0.65 0.08 -0.10 0.93 -2.23 0.00 0.00 178.31 177.64 3n9m h GLU 617 N 0.29 0.08 -0.73 1.11 5.08 -1.89 -3.16 114.58 115.38 3n9m h GLU 617 Ca 0.20 -0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 3n9m h GLU 617 Cb 0.20 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.34 3n9m h GLU 617 CO -0.22 0.79 -0.25 1.25 -1.00 0.00 0.00 179.01 179.59 3n9m h LEU 618 N -0.60 -0.89 -1.19 1.33 5.85 -1.87 0.78 115.31 118.72 3n9m h LEU 618 Ca -0.01 0.23 0.17 0.00 0.84 0.00 0.00 57.88 59.12 3n9m h LEU 618 Cb 0.82 0.52 -0.09 0.00 0.37 0.00 0.00 40.66 42.28 3n9m h LEU 618 CO 0.02 -0.27 0.61 0.25 -0.34 0.00 0.00 178.44 178.71 3n9m h LEU 619 N -0.05 0.69 -0.27 2.25 6.46 -1.15 -0.36 115.31 122.89 3n9m h LEU 619 Ca 0.33 0.06 -0.20 0.00 -0.12 0.00 0.00 57.88 57.95 3n9m h LEU 619 Cb 0.56 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3n9m h LEU 619 CO -0.77 0.30 -0.88 0.45 -0.62 0.00 0.00 178.44 176.92 3n9m h HIS 620 N 0.70 0.31 0.16 1.25 3.86 -0.84 0.26 115.15 120.86 3n9m h HIS 620 Ca 0.51 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 3n9m h HIS 620 Cb 0.86 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.30 3n9m h HIS 620 CO -0.00 0.99 -0.08 -1.49 0.86 0.00 0.00 177.93 178.21 3n9m h TRP 621 N 0.11 -0.20 -0.45 2.45 4.06 -0.38 0.34 115.95 121.88 3n9m h TRP 621 Ca -0.05 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.94 3n9m h TRP 621 Cb 1.52 0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 29.70 3n9m h TRP 621 CO 0.03 0.02 0.22 0.52 -3.56 0.00 0.00 178.44 175.66 3n9m h MET 622 N -0.40 0.42 -0.53 0.49 2.86 -1.12 0.80 114.93 117.44 3n9m h MET 622 Ca -0.02 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3n9m h MET 622 Cb 0.31 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3n9m h MET 622 CO 0.04 0.28 0.16 -0.92 1.06 0.00 0.00 176.91 177.52 3n9m h TYR 623 N 0.43 0.87 -0.24 -0.22 5.03 -0.86 0.15 116.97 122.13 3n9m h TYR 623 Ca 0.20 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3n9m h TYR 623 Cb 0.12 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 3n9m h TYR 623 CO -0.11 0.75 0.12 1.98 -1.32 0.00 0.00 178.16 179.58 3n9m h MET 624 N 0.74 0.33 -0.12 1.82 4.05 -0.66 0.20 114.93 121.29 3n9m h MET 624 Ca 0.17 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 3n9m h MET 624 Cb 0.29 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3n9m h MET 624 CO -0.00 0.32 -0.15 -0.09 0.23 0.00 0.00 176.91 177.22 3n9m h ARG 625 N 0.26 0.31 0.20 0.39 2.43 -0.57 0.31 114.38 117.71 3n9m h ARG 625 Ca 0.08 -0.17 -0.33 0.00 -0.81 0.00 0.00 59.98 58.75 3n9m h ARG 625 Cb 0.09 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3n9m h ARG 625 CO -0.01 0.74 -1.55 -0.91 -1.51 0.00 0.00 179.97 176.72 3n9m h ASN 626 N -0.10 0.67 0.00 -3.80 2.35 -0.76 -3.39 115.58 110.55 3n9m h ASN 626 Ca 0.01 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 3n9m h ASN 626 Cb 0.70 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3n9m h ASN 626 CO 0.04 1.66 -0.03 0.52 -1.65 0.00 0.00 177.43 177.97 3n9m n VAL 627 N -3.62 0.04 -0.04 2.81 0.31 0.01 -4.48 118.33 113.36 3n9m n VAL 627 Ca -0.18 0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 64.52 3n9m n VAL 627 Cb 1.08 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 32.46 3n9m n VAL 627 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3n9m h LEU 628 N -0.03 0.22 -0.86 7.52 4.07 -1.34 -2.74 115.31 122.15 3n9m h LEU 628 Ca 0.00 -0.07 0.07 0.00 0.08 0.00 0.00 57.88 57.96 3n9m h LEU 628 Cb 0.03 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 3n9m h LEU 628 CO 0.00 0.23 0.53 0.25 -1.08 0.00 0.00 178.44 178.37 3n9m h LEU 629 N 0.20 0.82 -0.39 1.67 6.46 -0.57 -2.33 115.31 121.16 3n9m h LEU 629 Ca 0.06 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 3n9m h LEU 629 Cb 0.05 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 3n9m h LEU 629 CO -0.01 0.51 0.10 -0.08 -0.62 0.00 0.00 178.44 178.34 3n9m h GLU 630 N 0.94 0.61 -0.59 1.25 4.81 -1.69 0.28 114.58 120.20 3n9m h GLU 630 Ca 0.38 -0.14 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 3n9m h GLU 630 Cb 0.22 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3n9m h GLU 630 CO -0.19 0.63 0.23 0.87 -0.73 0.00 0.00 179.01 179.82 3n9m h LYS 631 N 0.48 0.41 0.39 1.92 1.79 -1.18 0.23 116.57 120.60 3n9m h LYS 631 Ca 0.12 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 3n9m h LYS 631 Cb 0.29 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3n9m h LYS 631 CO -0.00 0.27 -0.19 0.82 -1.08 0.00 0.00 179.45 179.27 3n9m h ILE 632 N 0.42 0.51 -0.73 1.86 2.04 -1.15 -0.07 117.51 120.38 3n9m h ILE 632 Ca 0.29 -0.57 0.14 0.00 1.00 0.00 0.00 64.86 65.72 3n9m h ILE 632 Cb 0.34 0.74 -0.14 0.00 -0.74 0.00 0.00 36.82 37.02 3n9m h ILE 632 CO -0.28 0.09 -0.20 0.74 0.00 0.00 0.00 178.15 178.50 3n9m h THR 633 N -0.90 0.25 -0.35 -0.27 2.02 -0.25 0.11 112.91 113.52 3n9m h THR 633 Ca -0.05 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3n9m h THR 633 Cb 0.55 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3n9m h THR 633 CO 0.09 0.00 -0.00 -0.33 0.37 0.00 0.00 175.52 175.65 3n9m h GLU 634 N -0.01 0.62 0.00 6.66 5.08 -0.53 -1.19 114.58 125.21 3n9m h GLU 634 Ca 0.35 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3n9m h GLU 634 Cb 0.54 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3n9m h GLU 634 CO -0.76 0.74 -0.02 0.00 -1.00 0.00 0.00 179.01 177.96 3n9m h ALA 635 N 0.86 1.47 0.07 3.43 0.00 0.30 -1.11 119.26 124.28 3n9m h ALA 635 Ca 0.10 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3n9m h ALA 635 Cb 0.46 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3n9m h ALA 635 CO 0.02 0.03 -0.79 -0.91 0.00 0.00 0.00 179.25 177.60 3n9m h ASN 636 N 0.00 0.57 -0.09 0.00 2.35 -0.37 0.36 115.58 118.40 3n9m h ASN 636 Ca -0.00 -0.84 0.03 0.00 -0.55 0.00 0.00 56.30 54.94 3n9m h ASN 636 Cb 0.06 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3n9m h ASN 636 CO 0.00 1.35 0.30 1.56 -1.65 0.00 0.00 177.43 178.99 3n9m h GLN 637 N -0.13 0.00 -0.19 0.81 4.20 0.02 0.13 115.11 119.95 3n9m h GLN 637 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3n9m h GLN 637 Cb 1.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 3n9m h GLN 637 CO 0.15 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.46 3n9m n GLU 638 N -3.14 1.98 -2.58 1.46 0.28 -1.04 -4.97 120.64 112.62 3n9m n GLU 638 Ca -0.00 -1.64 -0.21 0.00 -0.16 0.00 0.00 57.16 55.15 3n9m n GLU 638 Cb 0.38 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.04 3n9m n GLU 638 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n9m n GLY 639 N 0.41 -0.48 3.78 -1.84 0.00 0.47 -4.97 105.19 102.55 3n9m n GLY 639 Ca 0.08 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3n9m n GLY 639 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9m s SER 640 N -2.28 7.37 -0.71 1.61 0.01 0.12 -5.01 113.70 114.81 3n9m s SER 640 Ca 0.09 1.84 -0.18 0.00 1.31 0.00 0.00 55.95 59.01 3n9m s SER 640 Cb -0.04 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.74 3n9m s SER 640 CO 0.12 -0.04 0.81 -0.62 0.41 0.00 0.00 173.24 173.91 3n9m s ASP 641 N -1.57 6.38 0.64 2.44 2.15 -1.26 -4.63 116.67 120.82 3n9m s ASP 641 Ca 0.49 -1.79 0.22 0.00 0.43 0.00 0.00 52.55 51.90 3n9m s ASP 641 Cb -0.19 -2.31 1.10 0.00 -0.30 0.00 0.00 42.92 41.22 3n9m s ASP 641 CO 0.25 -1.01 1.60 0.24 -0.17 0.00 0.00 175.17 176.08 3n9m h MET 642 N 8.86 0.00 0.00 4.34 2.86 -1.91 0.36 114.93 129.44 3n9m h MET 642 Ca -0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 3n9m h MET 642 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 3n9m h MET 642 CO 1.04 0.00 -0.16 0.00 1.06 0.00 0.00 176.91 178.85 3n9m h ARG 643 N 0.00 0.00 0.09 1.72 3.08 -1.92 0.14 114.38 117.49 3n9m h ARG 643 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3n9m h ARG 643 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 3n9m h ARG 643 CO -0.00 0.16 -0.08 0.93 -1.07 0.00 0.00 179.97 179.91 3n9m h GLU 644 N 0.00 -0.16 -0.03 0.04 4.39 -0.69 -3.34 114.58 114.79 3n9m h GLU 644 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3n9m h GLU 644 Cb 0.31 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3n9m h GLU 644 CO 0.02 -0.11 0.00 1.04 -1.16 0.00 0.00 179.01 178.80 3n9m n GLN 645 N -2.72 1.30 -2.27 2.33 1.13 -1.24 -4.72 117.38 111.19 3n9m n GLN 645 Ca -0.02 -1.14 -0.00 0.00 -1.94 0.00 0.00 57.00 53.90 3n9m n GLN 645 Cb 0.07 -1.04 0.04 0.00 0.11 0.00 0.00 30.24 29.43 3n9m n GLN 645 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3n9m n GLU 646 N -0.16 1.03 0.01 -1.09 1.02 0.35 -4.93 120.64 116.88 3n9m n GLU 646 Ca 0.01 -2.40 -0.11 0.00 -0.02 0.00 0.00 57.16 54.65 3n9m n GLU 646 Cb 0.17 -0.57 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 3n9m n GLU 646 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3n9m h LYS 647 N 1.60 -0.01 -0.85 3.49 3.64 -1.29 -1.35 116.57 121.81 3n9m h LYS 647 Ca -0.27 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.32 3n9m h LYS 647 Cb 1.45 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.14 3n9m h LYS 647 CO 0.03 -0.01 0.21 -2.95 -2.27 0.00 0.00 179.45 174.47 3n9m h ASN 648 N -0.01 -0.02 -0.03 4.20 7.08 -1.91 0.34 115.58 125.22 3n9m h ASN 648 Ca 0.04 0.19 -0.16 0.00 -3.08 0.00 0.00 56.30 53.29 3n9m h ASN 648 Cb 0.07 0.26 -0.01 0.00 -2.08 0.00 0.00 38.32 36.56 3n9m h ASN 648 CO -0.08 -0.13 -0.51 0.40 -2.08 0.00 0.00 177.43 175.02 3n9m h ILE 649 N 0.22 1.31 -0.20 6.14 1.08 -1.78 -2.12 117.51 122.15 3n9m h ILE 649 Ca 0.52 -1.74 -0.04 0.00 -0.39 0.00 0.00 64.86 63.21 3n9m h ILE 649 Cb 1.00 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 3n9m h ILE 649 CO -0.63 0.55 -0.02 -0.25 -0.69 0.00 0.00 178.15 177.10 3n9m h TRP 650 N 0.47 0.40 -0.33 1.37 2.91 -0.01 -2.18 115.95 118.58 3n9m h TRP 650 Ca 0.02 -0.08 -0.09 0.00 1.13 0.00 0.00 58.89 59.87 3n9m h TRP 650 Cb 1.06 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.59 3n9m h TRP 650 CO 0.05 0.59 -0.18 1.79 -1.03 0.00 0.00 178.44 179.66 3n9m h THR 651 N 0.10 1.26 -0.13 2.65 1.35 -1.03 -2.55 112.91 114.57 3n9m h THR 651 Ca 0.05 -1.19 -0.07 0.00 -0.55 0.00 0.00 66.41 64.65 3n9m h THR 651 Cb 0.44 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3n9m h THR 651 CO 0.01 0.39 -0.25 0.00 -0.25 0.00 0.00 175.52 175.42 3n9m h ALA 652 N 1.27 1.34 -0.19 6.62 0.00 -1.31 -2.61 119.26 124.38 3n9m h ALA 652 Ca 0.09 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3n9m h ALA 652 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n9m h ALA 652 CO 0.04 0.45 -0.49 0.77 0.00 0.00 0.00 179.25 180.02 3n9m h SER 653 N 0.20 0.76 -0.17 0.00 0.02 -0.99 -1.93 113.55 111.44 3n9m h SER 653 Ca 0.03 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.38 3n9m h SER 653 Cb 0.56 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3n9m h SER 653 CO 0.04 1.20 0.02 1.56 -1.14 0.00 0.00 176.83 178.51 3n9m h GLN 654 N 0.35 0.29 0.20 3.45 4.20 -1.43 0.19 115.11 122.37 3n9m h GLN 654 Ca -0.01 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3n9m h GLN 654 Cb 1.11 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 3n9m h GLN 654 CO 0.11 0.48 -0.27 0.82 -0.67 0.00 0.00 178.83 179.29 3n9m h ILE 655 N 0.07 0.42 -0.84 2.54 2.04 -1.54 -0.67 117.51 119.52 3n9m h ILE 655 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3n9m h ILE 655 Cb 0.33 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3n9m h ILE 655 CO 0.00 0.00 0.44 -0.03 0.00 0.00 0.00 178.15 178.57 3n9m h MET 656 N -0.53 1.19 -0.06 2.37 4.05 -1.28 -2.54 114.93 118.13 3n9m h MET 656 Ca 0.01 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 3n9m h MET 656 Cb 0.52 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3n9m h MET 656 CO -0.11 0.89 0.04 -0.22 0.23 0.00 0.00 176.91 177.75 3n9m h LYS 657 N 1.19 0.09 -0.67 0.39 3.64 -0.38 -1.24 116.57 119.58 3n9m h LYS 657 Ca 0.29 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 3n9m h LYS 657 Cb 0.07 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 3n9m h LYS 657 CO -0.04 0.08 0.28 0.00 -2.27 0.00 0.00 179.45 177.50 3n9m h ALA 658 N 1.00 0.90 -0.73 5.00 0.00 -0.83 0.42 119.26 125.02 3n9m h ALA 658 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3n9m h ALA 658 Cb 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3n9m h ALA 658 CO -0.00 -0.15 0.30 1.49 0.00 0.00 0.00 179.25 180.88 3n9m h GLU 659 N 0.47 1.08 -0.21 0.00 4.57 -1.21 -2.24 114.58 117.05 3n9m h GLU 659 Ca 0.34 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 58.22 3n9m h GLU 659 Cb 0.43 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3n9m h GLU 659 CO -0.32 0.88 -0.37 0.52 -1.18 0.00 0.00 179.01 178.54 3n9m h MET 660 N 1.04 0.46 -0.88 1.92 2.86 0.12 -2.27 114.93 118.19 3n9m h MET 660 Ca 0.24 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3n9m h MET 660 Cb 0.19 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3n9m h MET 660 CO -0.02 0.77 0.58 0.93 1.06 0.00 0.00 176.91 180.23 3n9m h GLU 661 N 0.39 1.14 -0.41 1.72 4.39 0.12 0.39 114.58 122.31 3n9m h GLU 661 Ca 0.04 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3n9m h GLU 661 Cb 0.83 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3n9m h GLU 661 CO 0.07 0.75 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.54 3n9m h ARG 662 N 1.18 0.69 -0.43 2.33 2.43 -0.98 -2.29 114.38 117.30 3n9m h ARG 662 Ca 0.33 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3n9m h ARG 662 Cb -0.11 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 3n9m h ARG 662 CO -0.08 0.74 -0.26 -1.49 -1.51 0.00 0.00 179.97 177.38 3n9m h TRP 663 N 0.64 1.05 0.40 2.20 6.55 -0.65 -1.82 115.95 124.34 3n9m h TRP 663 Ca 0.12 -0.27 -0.02 0.00 0.95 0.00 0.00 58.89 59.68 3n9m h TRP 663 Cb 0.47 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 3n9m h TRP 663 CO 0.02 1.06 -0.23 0.52 -1.05 0.00 0.00 178.44 178.77 3n9m h MET 664 N 0.78 -0.57 -0.83 0.49 2.86 -0.77 -1.76 114.93 115.13 3n9m h MET 664 Ca 0.09 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3n9m h MET 664 Cb 0.82 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.56 3n9m h MET 664 CO 0.07 -0.38 0.53 0.22 1.06 0.00 0.00 176.91 178.41 3n9m h ASP 665 N -0.59 0.86 -0.76 1.22 3.58 -1.41 0.07 116.42 119.39 3n9m h ASP 665 Ca -0.05 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.47 3n9m h ASP 665 Cb 0.48 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 3n9m h ASP 665 CO 0.06 0.59 0.50 -0.09 -2.88 0.00 0.00 179.24 177.42 3n9m h ARG 666 N 1.01 0.77 0.00 0.28 2.43 -1.20 -1.45 114.38 116.22 3n9m h ARG 666 Ca 0.34 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3n9m h ARG 666 Cb 0.04 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3n9m h ARG 666 CO -0.13 0.51 -0.29 1.49 -1.51 0.00 0.00 179.97 180.04 3n9m h GLU 667 N 0.79 0.00 0.09 0.20 4.81 -0.10 -1.23 114.58 119.15 3n9m h GLU 667 Ca 0.33 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3n9m h GLU 667 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3n9m h GLU 667 CO -0.12 0.29 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.34 3n9m h LEU 668 N 0.00 -0.10 -1.11 1.64 3.38 -0.43 0.12 115.31 118.81 3n9m h LEU 668 Ca -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3n9m h LEU 668 Cb 1.00 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3n9m h LEU 668 CO 0.04 0.49 0.50 0.03 0.09 0.00 0.00 178.44 179.59 3n9m h ARG 669 N -1.00 1.11 0.00 1.13 3.08 -1.35 -3.28 114.38 114.08 3n9m h ARG 669 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3n9m h ARG 669 Cb 0.35 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3n9m h ARG 669 CO 0.02 0.77 -0.40 1.28 -1.07 0.00 0.00 179.97 180.57 3n9m n LEU 670 N -4.38 0.34 0.00 3.04 4.77 -0.46 -5.11 117.00 115.20 3n9m n LEU 670 Ca 0.09 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3n9m n LEU 670 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3n9m n LEU 670 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3n9m n GLY 671 N 1.22 -0.94 3.46 -0.72 0.00 0.03 -5.00 105.19 103.24 3n9m n GLY 671 Ca 0.01 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 3n9m n GLY 671 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n9m n PRO 672 N -0.87 -1.41 -2.74 1.61 -0.02 -1.24 -4.47 135.00 125.87 3n9m n PRO 672 Ca 0.00 -0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 60.88 3n9m n PRO 672 Cb 0.00 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3n9m n PRO 672 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3n9m s GLU 673 N -4.07 2.80 0.32 -0.52 2.56 -1.26 -4.99 118.70 113.53 3n9m s GLU 673 Ca 0.63 -0.52 0.06 0.00 0.00 0.00 0.00 54.97 55.13 3n9m s GLU 673 Cb -0.21 -2.47 0.53 0.00 2.00 0.00 0.00 34.13 33.98 3n9m s GLU 673 CO 0.64 -0.55 1.77 0.87 -0.56 0.00 0.00 175.26 177.44 3n9m h LYS 674 N 0.15 0.33 0.00 4.30 1.57 -2.03 -3.08 116.57 117.80 3n9m h LYS 674 Ca -0.44 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.14 3n9m h LYS 674 Cb 1.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3n9m h LYS 674 CO 0.56 0.58 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.77 3n9m h ASN 675 N 0.29 0.00 0.00 0.86 -0.26 -2.04 -3.45 115.58 110.99 3n9m h ASN 675 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3n9m h ASN 675 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 3n9m h ASN 675 CO 0.05 0.34 0.00 0.00 -1.06 0.00 0.00 177.43 176.76 3n9m n ALA 676 N -2.39 0.00 0.00 -0.83 0.00 -1.17 -4.79 120.51 111.33 3n9m n ALA 676 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3n9m n ALA 676 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3n9m n ALA 676 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3n9m n ILE 677 N 0.00 0.00 -4.56 0.00 2.08 -1.26 -4.89 119.36 110.73 3n9m n ILE 677 Ca 0.00 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.02 3n9m n ILE 677 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 38.72 3n9m n ILE 677 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3n9m s LEU 678 N 0.00 1.81 0.08 1.39 1.98 -1.26 -5.12 118.68 117.56 3n9m s LEU 678 Ca 0.00 -0.46 -0.30 0.00 -2.89 0.00 0.00 54.13 50.48 3n9m s LEU 678 Cb 0.00 -1.16 -0.06 0.00 0.66 0.00 0.00 46.19 45.63 3n9m s LEU 678 CO 0.00 0.04 1.17 -2.16 -1.89 0.00 0.00 176.35 173.51 3n9m s PRO 679 N 0.89 4.47 0.39 0.98 0.04 -1.26 -4.83 135.00 135.68 3n9m s PRO 679 Ca -0.08 1.74 0.23 0.00 0.04 0.00 0.00 61.00 62.93 3n9m s PRO 679 Cb -0.15 -3.34 1.35 0.00 0.04 0.00 0.00 34.50 32.39 3n9m s PRO 679 CO -0.00 -0.19 1.60 1.15 0.04 0.00 0.00 177.00 179.59 3n9m h THR 680 N 4.40 0.07 0.77 1.26 2.02 -1.99 0.16 112.91 119.59 3n9m h THR 680 Ca -0.42 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 3n9m h THR 680 Cb 1.21 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3n9m h THR 680 CO 0.79 0.01 -0.37 -0.78 0.37 0.00 0.00 175.52 175.54 3n9m h ASP 681 N 0.06 -0.88 -0.77 4.18 -0.00 -2.00 -2.11 116.42 114.91 3n9m h ASP 681 Ca 0.83 0.02 0.17 0.00 -0.00 0.00 0.00 57.03 58.05 3n9m h ASP 681 Cb 2.31 0.23 -0.12 0.00 -0.00 0.00 0.00 39.33 41.75 3n9m h ASP 681 CO -0.64 -0.58 0.19 0.44 -0.00 0.00 0.00 179.24 178.66 3n9m h ASP 682 N -1.13 0.02 -0.95 2.28 5.19 -1.08 0.80 116.42 121.54 3n9m h ASP 682 Ca -0.11 0.15 0.09 0.00 -0.62 0.00 0.00 57.03 56.55 3n9m h ASP 682 Cb 0.81 0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.45 3n9m h ASP 682 CO 0.17 -0.05 0.60 0.11 -3.12 0.00 0.00 179.24 176.95 3n9m h LYS 683 N 0.27 0.99 -0.09 3.56 1.57 -1.22 -1.22 116.57 120.43 3n9m h LYS 683 Ca 0.44 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 3n9m h LYS 683 Cb 0.78 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3n9m h LYS 683 CO -0.53 0.65 -0.10 -0.97 -0.57 0.00 0.00 179.45 177.92 3n9m h ASN 684 N 1.02 0.24 -0.86 0.86 -0.00 -0.19 -1.80 115.58 114.85 3n9m h ASN 684 Ca 0.44 -0.50 0.14 0.00 -0.00 0.00 0.00 56.30 56.38 3n9m h ASN 684 Cb 0.32 -0.07 -0.09 0.00 -0.00 0.00 0.00 38.32 38.48 3n9m h ASN 684 CO -0.22 0.70 0.46 0.11 -0.00 0.00 0.00 177.43 178.48 3n9m h LYS 685 N -0.21 0.66 0.31 6.67 1.57 -0.92 0.21 116.57 124.86 3n9m h LYS 685 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3n9m h LYS 685 Cb 0.64 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3n9m h LYS 685 CO 0.02 0.44 -0.15 0.82 -0.57 0.00 0.00 179.45 180.01 3n9m h ILE 686 N 0.68 0.70 0.13 1.86 2.04 -1.15 -1.82 117.51 119.95 3n9m h ILE 686 Ca 0.46 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.31 3n9m h ILE 686 Cb 0.60 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3n9m h ILE 686 CO -0.34 0.01 -0.23 0.24 0.00 0.00 0.00 178.15 177.83 3n9m h MET 687 N -0.43 -0.41 -0.49 2.37 2.86 -0.35 -0.64 114.93 117.83 3n9m h MET 687 Ca -0.04 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3n9m h MET 687 Cb 0.33 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.98 3n9m h MET 687 CO 0.07 -0.28 -0.23 0.82 1.06 0.00 0.00 176.91 178.36 3n9m h ILE 688 N -0.43 0.33 -0.68 -1.22 2.04 -0.62 0.15 117.51 117.09 3n9m h ILE 688 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3n9m h ILE 688 Cb 0.45 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3n9m h ILE 688 CO -0.12 0.00 0.33 -1.28 0.00 0.00 0.00 178.15 177.08 3n9m h SER 689 N -0.12 0.86 -0.23 1.72 0.87 -1.00 -1.29 113.55 114.36 3n9m h SER 689 Ca 0.23 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3n9m h SER 689 Cb 0.48 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3n9m h SER 689 CO -0.57 0.73 -0.03 0.58 -0.53 0.00 0.00 176.83 177.01 3n9m h VAL 690 N 0.96 1.27 -0.48 2.23 2.07 0.28 -2.02 116.25 120.56 3n9m h VAL 690 Ca 0.24 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3n9m h VAL 690 Cb 0.09 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3n9m h VAL 690 CO -0.03 0.31 0.21 0.03 0.02 0.00 0.00 177.57 178.10 3n9m h ARG 691 N 0.18 0.40 -0.27 1.57 3.08 -0.52 -1.12 114.38 117.69 3n9m h ARG 691 Ca 0.06 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3n9m h ARG 691 Cb 0.48 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 3n9m h ARG 691 CO 0.02 0.26 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.88 3n9m h LYS 692 N 0.41 -0.03 -0.23 0.04 3.64 -1.04 -1.30 116.57 118.05 3n9m h LYS 692 Ca 0.22 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 3n9m h LYS 692 Cb 0.18 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3n9m h LYS 692 CO -0.19 -0.02 -0.57 1.96 -2.27 0.00 0.00 179.45 178.36 3n9m h GLN 693 N -0.03 0.74 0.00 1.90 1.08 -1.12 -2.63 115.11 115.05 3n9m h GLN 693 Ca 0.13 -0.48 -0.05 0.00 -1.45 0.00 0.00 58.65 56.81 3n9m h GLN 693 Cb 0.23 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3n9m h GLN 693 CO -0.29 1.10 -0.23 0.82 -0.95 0.00 0.00 178.83 179.28 3n9m h ILE 694 N 0.56 1.08 -0.00 2.54 2.04 -1.01 -0.72 117.51 122.00 3n9m h ILE 694 Ca 0.01 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3n9m h ILE 694 Cb 1.16 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3n9m h ILE 694 CO 0.12 0.23 -0.00 -0.08 0.00 0.00 0.00 178.15 178.41 3n9m h GLU 695 N 0.00 0.01 -0.60 2.37 4.57 -1.11 -1.62 114.58 118.20 3n9m h GLU 695 Ca -0.00 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 3n9m h GLU 695 Cb 0.43 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 3n9m h GLU 695 CO 0.03 0.57 0.24 0.82 -1.18 0.00 0.00 179.01 179.49 3n9m h ILE 696 N -0.56 0.80 -0.02 2.32 2.04 -1.19 -0.01 117.51 120.90 3n9m h ILE 696 Ca 0.00 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3n9m h ILE 696 Cb 0.57 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3n9m h ILE 696 CO 0.00 0.08 -0.39 -0.61 0.00 0.00 0.00 178.15 177.23 3n9m h GLN 697 N 0.43 0.04 -0.30 2.37 5.75 -1.17 -1.52 115.11 120.70 3n9m h GLN 697 Ca 0.30 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.72 3n9m h GLN 697 Cb 0.34 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3n9m h GLN 697 CO -0.28 0.43 -0.06 1.15 -2.65 0.00 0.00 178.83 177.41 3n9m h THR 698 N 0.03 1.28 -0.76 2.39 2.02 -0.22 -2.06 112.91 115.59 3n9m h THR 698 Ca 0.00 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.04 3n9m h THR 698 Cb 0.71 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3n9m h THR 698 CO 0.05 0.35 0.25 0.11 0.37 0.00 0.00 175.52 176.66 3n9m h LYS 699 N 0.34 1.17 -0.48 6.66 1.57 -0.76 -0.24 116.57 124.84 3n9m h LYS 699 Ca 0.08 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3n9m h LYS 699 Cb 0.54 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3n9m h LYS 699 CO 0.03 0.98 0.24 0.82 -0.57 0.00 0.00 179.45 180.95 3n9m h ILE 700 N 1.13 0.96 -0.36 1.86 2.04 -1.23 -0.39 117.51 121.51 3n9m h ILE 700 Ca 0.25 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3n9m h ILE 700 Cb 0.29 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3n9m h ILE 700 CO -0.01 0.09 -0.09 1.56 0.00 0.00 0.00 178.15 179.69 3n9m h GLN 701 N 0.47 0.61 0.00 2.37 4.20 -0.90 -2.97 115.11 118.89 3n9m h GLN 701 Ca 0.21 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3n9m h GLN 701 Cb 0.12 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3n9m h GLN 701 CO -0.15 0.70 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.67 3n9m h ASN 702 N 0.56 0.00 0.10 1.46 2.35 -0.52 -3.23 115.58 116.30 3n9m h ASN 702 Ca 0.10 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3n9m h ASN 702 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3n9m h ASN 702 CO 0.03 0.13 -0.18 0.00 -1.65 0.00 0.00 177.43 175.76 3n9m h ALA 703 N 1.87 1.51 0.00 -0.83 0.00 -0.91 -1.83 119.26 119.07 3n9m h ALA 703 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3n9m h ALA 703 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3n9m h ALA 703 CO 0.02 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.25 3n9m n LYS 704 N -4.25 0.20 -3.17 0.00 5.02 -1.22 -4.66 118.16 110.07 3n9m n LYS 704 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 3n9m n LYS 704 Cb 0.29 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3n9m n LYS 704 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3n9m s ASN 705 N -1.97 7.06 0.00 4.39 0.02 -0.69 -5.18 114.94 118.57 3n9m s ASN 705 Ca 0.08 1.26 0.00 0.00 -1.02 0.00 0.00 52.86 53.18 3n9m s ASN 705 Cb 0.04 -2.39 0.00 0.00 0.02 0.00 0.00 41.25 38.92 3n9m s ASN 705 CO 0.06 0.13 0.00 0.29 0.02 0.00 0.00 177.10 177.60