#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dji h ILE 201 N 0.00 0.30 0.03 -3.67 2.04 -2.04 2.11 117.51 116.29 1dji h ILE 201 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.50 1dji h ILE 201 Cb 0.00 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1dji h ILE 201 CO 0.00 0.00 -2.01 -0.62 0.00 0.00 0.00 178.15 175.52 1dji n GLU 202 N -3.95 0.63 0.14 2.37 1.02 -1.26 -2.99 120.64 116.61 1dji n GLU 202 Ca 0.24 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1dji n GLU 202 Cb 1.26 -1.63 0.52 0.00 -0.02 0.00 0.00 31.44 31.57 1dji n GLU 202 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1dji n THR 203 N -3.94 0.87 -0.09 2.62 -1.04 -0.03 -1.86 114.28 110.81 1dji n THR 203 Ca -0.41 0.35 -0.10 0.00 -2.04 0.00 0.00 64.05 61.85 1dji n THR 203 Cb 0.88 -1.30 -0.04 0.00 -1.82 0.00 0.00 70.33 68.05 1dji n THR 203 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1dji n PHE 204 N -2.26 0.45 -0.35 -1.42 7.35 0.70 -3.68 117.46 118.25 1dji n PHE 204 Ca 0.01 0.20 0.10 0.00 -0.76 0.00 0.00 57.45 57.00 1dji n PHE 204 Cb 0.18 -0.70 0.21 0.00 0.35 0.00 0.00 39.48 39.53 1dji n PHE 204 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1dji n TYR 205 N -4.50 0.49 0.00 -5.13 9.36 -1.16 -0.82 117.16 115.40 1dji n TYR 205 Ca -0.16 1.20 -0.13 0.00 3.32 0.00 0.00 57.90 62.13 1dji n TYR 205 Cb 0.46 -1.15 -0.09 0.00 -0.63 0.00 0.00 39.34 37.92 1dji n TYR 205 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1dji h LYS 206 N 0.00 -0.02 -0.44 2.98 3.64 -1.58 -2.42 116.57 118.72 1dji h LYS 206 Ca 0.53 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.94 1dji h LYS 206 Cb 0.97 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1dji h LYS 206 CO -0.97 0.39 0.24 1.98 -2.27 0.00 0.00 179.45 178.82 1dji h MET 207 N -0.43 0.47 -0.52 1.90 4.05 -1.20 0.40 114.93 119.59 1dji h MET 207 Ca -0.00 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1dji h MET 207 Cb 0.42 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1dji h MET 207 CO 0.00 0.31 0.21 1.25 0.23 0.00 0.00 176.91 178.91 1dji h LEU 208 N 0.48 0.72 -3.37 3.39 5.85 -1.07 -2.78 115.31 118.53 1dji h LEU 208 Ca 0.19 -0.17 -0.35 0.00 0.84 0.00 0.00 57.88 58.39 1dji h LEU 208 Cb 0.06 -0.19 -0.21 0.00 0.37 0.00 0.00 40.66 40.70 1dji h LEU 208 CO -0.11 0.70 0.44 0.41 -0.34 0.00 0.00 178.44 179.53 1dji n THR 209 N -4.53 2.51 -4.83 1.05 -1.04 -0.86 -4.94 114.28 101.65 1dji n THR 209 Ca 0.02 -1.32 -0.33 0.00 -2.04 0.00 0.00 64.05 60.38 1dji n THR 209 Cb 0.16 -0.62 -0.13 0.00 -1.82 0.00 0.00 70.33 67.92 1dji n THR 209 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1dji s GLN 210 N -2.30 2.80 -0.35 -2.82 0.74 0.14 -4.91 119.66 112.97 1dji s GLN 210 Ca 0.40 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1dji s GLN 210 Cb 0.33 -2.48 0.11 0.00 1.10 0.00 0.00 33.01 32.07 1dji s GLN 210 CO 0.08 0.50 0.12 1.03 -0.55 0.00 0.00 175.29 176.47 1dji s ARG 211 N -0.40 1.04 0.22 1.67 0.52 -1.26 -4.97 118.95 115.76 1dji s ARG 211 Ca 0.05 -1.49 -0.09 0.00 -0.52 0.00 0.00 55.73 53.67 1dji s ARG 211 Cb -0.12 -2.38 0.32 0.00 0.52 0.00 0.00 34.95 33.28 1dji s ARG 211 CO 0.02 -1.01 1.69 0.00 0.02 0.00 0.00 175.30 176.02 1dji h ALA 212 N 7.66 0.71 -0.51 2.13 0.00 -1.98 0.34 119.26 127.61 1dji h ALA 212 Ca -0.09 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dji h ALA 212 Cb 0.99 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1dji h ALA 212 CO 0.49 -0.34 0.34 1.05 0.00 0.00 0.00 179.25 180.79 1dji h GLU 213 N 0.22 0.55 -0.01 0.00 9.09 -1.99 0.42 114.58 122.85 1dji h GLU 213 Ca 0.33 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.70 1dji h GLU 213 Cb 0.52 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1dji h GLU 213 CO -0.45 0.36 -0.01 0.82 0.05 0.00 0.00 179.01 179.78 1dji h ILE 214 N 0.57 1.39 -0.30 -1.06 1.08 -1.43 -1.69 117.51 116.07 1dji h ILE 214 Ca 0.20 -1.16 0.07 0.00 -0.39 0.00 0.00 64.86 63.59 1dji h ILE 214 Cb 0.11 2.15 -0.08 0.00 -3.07 0.00 0.00 36.82 35.93 1dji h ILE 214 CO -0.05 0.30 -0.29 0.44 -0.69 0.00 0.00 178.15 177.86 1dji h ASP 215 N -0.45 -0.94 -0.20 1.72 3.32 0.08 0.52 116.42 120.47 1dji h ASP 215 Ca 0.00 0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1dji h ASP 215 Cb 0.50 0.44 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 1dji h ASP 215 CO 0.00 -0.31 -0.17 0.03 -1.72 0.00 0.00 179.24 177.07 1dji h ARG 216 N -0.27 -0.18 -0.77 3.56 3.08 -0.22 0.12 114.38 119.71 1dji h ARG 216 Ca 0.15 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.28 1dji h ARG 216 Cb 0.51 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 1dji h ARG 216 CO -0.45 -0.12 0.45 0.00 -1.07 0.00 0.00 179.97 178.77 1dji h ALA 217 N 0.91 1.05 -0.38 0.04 0.00 -0.53 0.98 119.26 121.33 1dji h ALA 217 Ca 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dji h ALA 217 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dji h ALA 217 CO -0.31 0.13 0.02 0.35 0.00 0.00 0.00 179.25 179.45 1dji h PHE 218 N 0.80 0.71 0.19 0.00 3.57 -0.23 -2.25 116.94 119.73 1dji h PHE 218 Ca 0.35 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1dji h PHE 218 Cb 0.22 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1dji h PHE 218 CO -0.06 0.73 -0.42 0.93 -2.23 0.00 0.00 178.31 177.26 1dji h GLU 219 N 0.49 -0.67 -0.52 1.11 5.08 0.36 0.96 114.58 121.39 1dji h GLU 219 Ca 0.11 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.62 1dji h GLU 219 Cb 0.43 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1dji h GLU 219 CO 0.01 -0.45 -0.00 0.93 -1.00 0.00 0.00 179.01 178.50 1dji h GLU 220 N -0.70 0.11 -0.22 2.33 4.39 -0.80 4.95 114.58 124.64 1dji h GLU 220 Ca 0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1dji h GLU 220 Cb 0.70 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1dji h GLU 220 CO -0.20 0.07 0.08 0.00 -1.16 0.00 0.00 179.01 177.80 1dji h ALA 221 N 1.47 0.29 0.00 3.43 0.00 -0.84 -3.29 119.26 120.32 1dji h ALA 221 Ca 0.26 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1dji h ALA 221 Cb 0.40 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1dji h ALA 221 CO -0.44 -0.10 -1.59 0.00 0.00 0.00 0.00 179.25 177.13 1dji n ALA 222 N -2.26 1.76 -0.47 0.00 0.00 0.33 -4.92 120.51 114.95 1dji n ALA 222 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1dji n ALA 222 Cb 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1dji n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dji n GLY 223 N 1.47 1.68 0.12 0.00 0.00 1.61 -3.38 105.19 106.68 1dji n GLY 223 Ca -0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1dji n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dji h SER 224 N 6.56 -0.23 -2.76 1.61 4.64 -1.96 -3.45 113.55 117.96 1dji h SER 224 Ca 0.00 0.05 -0.58 0.00 -0.47 0.00 0.00 61.79 60.80 1dji h SER 224 Cb 0.00 0.13 0.18 0.00 -0.31 0.00 0.00 62.40 62.40 1dji h SER 224 CO 0.00 -0.09 -0.65 0.00 -0.87 0.00 0.00 176.83 175.22 1dji n ALA 225 N -2.38 -1.93 1.24 5.18 0.00 -1.22 -4.86 120.51 116.53 1dji n ALA 225 Ca -0.04 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1dji n ALA 225 Cb 0.13 -1.70 0.33 0.00 0.00 0.00 0.00 19.45 18.21 1dji n ALA 225 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1dji n GLU 226 N 0.25 1.09 -4.19 0.00 2.13 -1.26 -4.89 120.64 113.76 1dji n GLU 226 Ca 0.10 -0.70 -0.11 0.00 0.66 0.00 0.00 57.16 57.10 1dji n GLU 226 Cb 0.49 -1.49 -0.10 0.00 0.27 0.00 0.00 31.44 30.61 1dji n GLU 226 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1dji s THR 227 N -2.40 0.55 -0.24 6.31 2.01 -1.26 -4.58 115.64 116.02 1dji s THR 227 Ca 0.26 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.25 1dji s THR 227 Cb 0.19 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1dji s THR 227 CO 0.49 -0.64 0.05 -0.76 -0.69 0.00 0.00 174.62 173.07 1dji s LEU 228 N -3.09 3.35 0.37 4.42 1.43 0.80 -4.82 118.68 121.14 1dji s LEU 228 Ca 0.19 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 1dji s LEU 228 Cb 0.06 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 1dji s LEU 228 CO -0.00 -0.01 0.86 -0.94 0.23 0.00 0.00 176.35 176.49 1dji s SER 229 N 1.48 6.94 0.33 2.29 1.04 -1.26 0.62 113.70 125.14 1dji s SER 229 Ca 0.06 1.55 0.11 0.00 0.48 0.00 0.00 55.95 58.14 1dji s SER 229 Cb -0.15 -2.48 0.98 0.00 0.10 0.00 0.00 66.02 64.47 1dji s SER 229 CO 0.02 -0.24 1.64 0.58 0.98 0.00 0.00 173.24 176.22 1dji h VAL 230 N 2.08 0.24 -0.40 5.02 2.07 -1.90 0.83 116.25 124.18 1dji h VAL 230 Ca -0.48 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1dji h VAL 230 Cb 1.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1dji h VAL 230 CO 0.63 0.04 0.22 -0.08 0.02 0.00 0.00 177.57 178.40 1dji h GLU 231 N 0.22 0.56 -0.14 1.57 4.81 -1.92 -0.25 114.58 119.43 1dji h GLU 231 Ca 0.68 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.74 1dji h GLU 231 Cb 1.55 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1dji h GLU 231 CO -0.67 0.45 -0.39 0.00 -0.73 0.00 0.00 179.01 177.67 1dji h ARG 232 N 0.52 0.30 0.33 1.92 3.08 0.14 -1.77 114.38 118.89 1dji h ARG 232 Ca 0.14 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1dji h ARG 232 Cb 0.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1dji h ARG 232 CO -0.02 0.65 -0.16 1.25 -1.07 0.00 0.00 179.97 180.62 1dji h LEU 233 N 0.25 -0.37 -1.03 3.04 5.85 -0.15 -0.22 115.31 122.69 1dji h LEU 233 Ca 0.03 -0.06 0.19 0.00 0.84 0.00 0.00 57.88 58.88 1dji h LEU 233 Cb 0.80 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.83 1dji h LEU 233 CO 0.06 -0.18 0.61 0.58 -0.34 0.00 0.00 178.44 179.18 1dji h VAL 234 N -0.55 0.72 -0.31 1.05 2.07 -0.89 1.13 116.25 119.48 1dji h VAL 234 Ca -0.04 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1dji h VAL 234 Cb 0.41 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1dji h VAL 234 CO 0.07 0.14 -0.14 0.74 0.02 0.00 0.00 177.57 178.40 1dji h THR 235 N 0.77 1.24 0.14 2.57 2.02 -0.73 -0.82 112.91 118.10 1dji h THR 235 Ca 0.57 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1dji h THR 235 Cb 0.88 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1dji h THR 235 CO -0.37 0.35 -0.07 0.15 0.37 0.00 0.00 175.52 175.96 1dji h PHE 236 N 0.49 -0.17 -0.94 3.16 3.57 0.28 1.05 116.94 124.38 1dji h PHE 236 Ca 0.09 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.78 1dji h PHE 236 Cb 0.54 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.26 1dji h PHE 236 CO 0.02 0.14 0.61 -0.07 -2.23 0.00 0.00 178.31 176.77 1dji h LEU 237 N -0.48 0.50 0.00 0.59 3.38 0.29 0.19 115.31 119.78 1dji h LEU 237 Ca -0.02 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1dji h LEU 237 Cb 0.38 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1dji h LEU 237 CO 0.03 0.19 -0.95 0.00 0.09 0.00 0.00 178.44 177.80 1dji n GLN 238 N -4.57 0.51 -0.01 1.13 6.02 -0.34 0.39 117.38 120.51 1dji n GLN 238 Ca 0.21 0.51 -0.10 0.00 -0.01 0.00 0.00 57.00 57.60 1dji n GLN 238 Cb 0.68 -1.69 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 1dji n GLN 238 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1dji h HIS 239 N -1.00 0.06 0.00 1.08 2.76 0.13 -2.83 115.15 115.34 1dji h HIS 239 Ca -0.18 0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 57.68 1dji h HIS 239 Cb 0.91 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.81 1dji h HIS 239 CO -0.10 0.03 -1.84 1.04 -1.30 0.00 0.00 177.93 175.76 1dji n GLN 240 N -5.07 0.57 0.00 5.26 1.13 0.60 -4.46 117.38 115.41 1dji n GLN 240 Ca -0.04 0.39 0.14 0.00 -1.94 0.00 0.00 57.00 55.55 1dji n GLN 240 Cb 0.06 -1.60 0.66 0.00 0.11 0.00 0.00 30.24 29.47 1dji n GLN 240 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1dji n GLN 241 N -4.36 0.14 -3.57 -1.09 1.13 -0.68 -3.17 117.38 105.79 1dji n GLN 241 Ca -0.41 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.40 1dji n GLN 241 Cb 0.75 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.59 1dji n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dji n ARG 242 N -1.43 -3.35 -2.22 -1.09 5.12 -0.48 -4.26 116.66 108.96 1dji n ARG 242 Ca 0.09 0.43 -0.37 0.00 -1.93 0.00 0.00 57.85 56.08 1dji n ARG 242 Cb 0.30 -5.15 -0.01 0.00 -1.16 0.00 0.00 32.46 26.45 1dji n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1dji s GLU 243 N -6.22 3.73 -0.07 5.56 0.41 0.16 -4.91 118.70 117.36 1dji s GLU 243 Ca 0.48 1.82 0.18 0.00 -0.41 0.00 0.00 54.97 57.04 1dji s GLU 243 Cb -0.26 -2.41 -0.23 0.00 -1.78 0.00 0.00 34.13 29.45 1dji s GLU 243 CO 0.59 -0.59 0.43 -1.91 -0.49 0.00 0.00 175.26 173.30 1dji n GLU 244 N -0.49 0.66 -0.35 1.61 2.13 -1.26 -3.62 120.64 119.32 1dji n GLU 244 Ca 0.07 0.04 0.03 0.00 0.66 0.00 0.00 57.16 57.96 1dji n GLU 244 Cb 0.48 -1.63 0.17 0.00 0.27 0.00 0.00 31.44 30.73 1dji n GLU 244 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1dji n GLU 245 N -2.70 2.54 -1.85 5.31 1.02 -1.26 -4.88 120.64 118.83 1dji n GLU 245 Ca -0.18 -1.29 -0.43 0.00 -0.02 0.00 0.00 57.16 55.25 1dji n GLU 245 Cb 0.92 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 1dji n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dji s ALA 246 N -1.72 3.27 -0.11 0.62 0.00 -1.24 -4.42 121.76 118.16 1dji s ALA 246 Ca 0.22 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 52.71 1dji s ALA 246 Cb 0.17 -3.89 0.13 0.00 0.00 0.00 0.00 23.12 19.52 1dji s ALA 246 CO 0.07 -1.99 1.20 0.20 0.00 0.00 0.00 175.76 175.25 1dji s GLY 247 N 5.19 -0.34 0.52 0.00 0.00 -1.26 -4.98 107.32 106.46 1dji s GLY 247 Ca 0.84 1.23 0.40 0.00 0.00 0.00 0.00 44.72 47.19 1dji s GLY 247 CO 0.34 0.37 1.69 -2.55 0.00 0.00 0.00 173.10 172.96 1dji h PRO 248 N 2.00 0.04 -0.08 2.90 0.11 -1.91 0.29 132.00 135.34 1dji h PRO 248 Ca -0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1dji h PRO 248 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1dji h PRO 248 CO 0.25 0.02 0.02 0.00 -0.21 0.00 0.00 178.00 178.09 1dji h ALA 249 N 1.30 0.11 0.96 -0.75 0.00 -1.95 0.11 119.26 119.05 1dji h ALA 249 Ca 0.75 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 1dji h ALA 249 Cb 2.84 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 20.60 1dji h ALA 249 CO -0.09 -0.26 -0.46 1.25 0.00 0.00 0.00 179.25 179.69 1dji h LEU 250 N -0.07 -1.10 -0.82 0.00 5.85 -0.67 -2.20 115.31 116.29 1dji h LEU 250 Ca 0.03 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.96 1dji h LEU 250 Cb 0.25 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.41 1dji h LEU 250 CO 0.00 -0.76 -0.12 0.00 -0.34 0.00 0.00 178.44 177.22 1dji h ALA 251 N -1.36 0.69 0.00 1.25 0.00 -1.32 0.20 119.26 118.72 1dji h ALA 251 Ca -0.13 0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dji h ALA 251 Cb 0.99 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1dji h ALA 251 CO 0.22 -0.43 -0.27 1.25 0.00 0.00 0.00 179.25 180.02 1dji h LEU 252 N 0.03 0.00 0.04 0.00 5.85 -0.69 -0.98 115.31 119.56 1dji h LEU 252 Ca 0.43 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.88 1dji h LEU 252 Cb 0.72 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.76 1dji h LEU 252 CO -0.80 0.27 -1.17 0.77 -0.34 0.00 0.00 178.44 177.17 1dji h SER 253 N 0.00 0.55 0.10 1.25 4.64 -0.04 -1.26 113.55 118.80 1dji h SER 253 Ca -0.00 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1dji h SER 253 Cb 0.53 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1dji h SER 253 CO 0.04 1.38 -0.08 -0.07 -0.87 0.00 0.00 176.83 177.23 1dji h LEU 254 N 0.15 -0.19 -0.36 5.97 3.38 -0.37 0.19 115.31 124.08 1dji h LEU 254 Ca -0.13 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1dji h LEU 254 Cb 1.86 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 1dji h LEU 254 CO 0.20 -0.12 0.22 0.40 0.09 0.00 0.00 178.44 179.24 1dji h ILE 255 N -0.18 1.07 0.00 1.22 2.04 -1.23 0.55 117.51 120.97 1dji h ILE 255 Ca -0.00 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1dji h ILE 255 Cb 0.16 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1dji h ILE 255 CO -0.00 0.08 -0.12 -0.33 0.00 0.00 0.00 178.15 177.78 1dji h GLU 256 N 0.46 0.00 0.13 2.37 5.08 -0.94 -0.36 114.58 121.31 1dji h GLU 256 Ca 0.14 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.14 1dji h GLU 256 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1dji h GLU 256 CO -0.05 0.12 -1.94 -0.09 -1.00 0.00 0.00 179.01 176.06 1dji h ARG 257 N 0.00 0.27 0.00 2.33 2.43 0.52 -3.43 114.38 116.50 1dji h ARG 257 Ca -0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1dji h ARG 257 Cb 0.37 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1dji h ARG 257 CO 0.02 1.22 -1.10 0.66 -1.51 0.00 0.00 179.97 179.26 1dji n TYR 258 N -3.54 0.00 -2.05 2.20 4.01 0.18 -5.00 117.16 112.96 1dji n TYR 258 Ca -0.31 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.00 1dji n TYR 258 Cb 1.03 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.89 1dji n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1dji s GLU 259 N -2.39 4.08 0.13 -0.72 2.56 -0.15 -4.53 118.70 117.67 1dji s GLU 259 Ca -0.01 2.04 -0.01 0.00 0.00 0.00 0.00 54.97 56.99 1dji s GLU 259 Cb 0.06 -3.99 -0.11 0.00 2.00 0.00 0.00 34.13 32.09 1dji s GLU 259 CO 0.39 -0.96 1.29 -1.00 -0.56 0.00 0.00 175.26 174.43 1dji h PRO 260 N 9.81 0.26 -6.14 4.30 0.13 -1.90 -3.45 132.00 135.02 1dji h PRO 260 Ca -0.37 -0.33 -0.57 0.00 -0.87 0.00 0.00 66.00 63.86 1dji h PRO 260 Cb 1.17 0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1dji h PRO 260 CO 0.96 1.06 0.87 0.45 -0.23 0.00 0.00 178.00 181.12 1dji s SER 261 N -7.01 6.98 0.23 1.44 0.15 -1.26 -4.92 113.70 109.30 1dji s SER 261 Ca -0.04 1.62 -0.07 0.00 0.70 0.00 0.00 55.95 58.16 1dji s SER 261 Cb 0.09 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 62.06 1dji s SER 261 CO 0.85 -0.74 1.83 -0.33 1.20 0.00 0.00 173.24 176.06 1dji h GLU 262 N 8.01 1.25 0.80 5.44 4.39 -1.98 0.37 114.58 132.85 1dji h GLU 262 Ca -0.25 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 1dji h GLU 262 Cb 1.09 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1dji h GLU 262 CO 0.97 0.94 -0.43 1.15 -1.16 0.00 0.00 179.01 180.48 1dji h THR 263 N 1.24 0.13 -0.96 1.13 2.02 -1.99 -1.12 112.91 113.36 1dji h THR 263 Ca 0.30 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.50 1dji h THR 263 Cb 0.08 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.57 1dji h THR 263 CO -0.04 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.48 1dji h ALA 264 N -0.97 1.22 0.78 6.16 0.00 -1.78 -0.31 119.26 124.37 1dji h ALA 264 Ca -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1dji h ALA 264 Cb 0.88 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dji h ALA 264 CO 0.15 0.59 -0.48 -0.22 0.00 0.00 0.00 179.25 179.29 1dji h LYS 265 N 1.28 -1.14 -0.98 0.00 3.64 -0.16 0.48 116.57 119.69 1dji h LYS 265 Ca 0.36 0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.92 1dji h LYS 265 Cb -0.12 0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 1dji h LYS 265 CO -0.08 -0.76 0.63 0.00 -2.27 0.00 0.00 179.45 176.96 1dji h ALA 266 N -1.08 1.53 -0.23 5.00 0.00 -0.95 0.29 119.26 123.82 1dji h ALA 266 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dji h ALA 266 Cb 0.95 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1dji h ALA 266 CO 0.11 0.25 0.00 1.04 0.00 0.00 0.00 179.25 180.65 1dji n GLN 267 N -4.58 2.50 -3.91 0.00 6.02 -0.15 -4.91 117.38 112.36 1dji n GLN 267 Ca 0.18 -1.23 -0.30 0.00 -0.01 0.00 0.00 57.00 55.64 1dji n GLN 267 Cb 0.32 -1.78 -0.00 0.00 1.02 0.00 0.00 30.24 29.80 1dji n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1dji n ARG 268 N 0.25 -2.14 -4.18 -1.09 1.74 0.09 -4.96 116.66 106.38 1dji n ARG 268 Ca 0.11 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.42 1dji n ARG 268 Cb 0.61 -4.10 -0.10 0.00 -1.02 0.00 0.00 32.46 27.84 1dji n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1dji s GLN 269 N -6.54 0.87 -0.11 5.56 -0.21 0.16 -2.97 119.66 116.41 1dji s GLN 269 Ca 0.21 -1.28 0.03 0.00 0.02 0.00 0.00 55.36 54.34 1dji s GLN 269 Cb -0.08 -0.39 0.01 0.00 1.00 0.00 0.00 33.01 33.55 1dji s GLN 269 CO 0.90 0.03 -0.21 1.41 -2.12 0.00 0.00 175.29 175.30 1dji s MET 270 N -3.40 2.78 0.61 2.91 -2.45 0.20 -3.98 119.30 115.97 1dji s MET 270 Ca 0.10 -0.78 -0.03 0.00 -1.25 0.00 0.00 55.69 53.73 1dji s MET 270 Cb 0.02 -2.19 0.04 0.00 1.25 0.00 0.00 34.83 33.95 1dji s MET 270 CO -0.02 0.07 0.89 0.95 1.05 0.00 0.00 175.02 177.96 1dji s THR 271 N 0.61 2.83 0.34 10.11 -4.23 -1.26 -0.14 115.64 123.91 1dji s THR 271 Ca -0.13 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1dji s THR 271 Cb -0.17 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.82 1dji s THR 271 CO 0.04 -0.12 1.97 0.50 -0.54 0.00 0.00 174.62 176.46 1dji h LYS 272 N -0.22 0.85 -0.06 3.99 3.64 -1.99 0.72 116.57 123.50 1dji h LYS 272 Ca -0.44 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1dji h LYS 272 Cb 1.29 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1dji h LYS 272 CO 0.58 0.56 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.83 1dji h ASP 273 N 0.87 -0.14 -0.01 4.20 3.32 -1.98 0.69 116.42 123.38 1dji h ASP 273 Ca 0.30 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 1dji h ASP 273 Cb 0.11 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1dji h ASP 273 CO -0.09 -0.06 -0.11 1.23 -1.72 0.00 0.00 179.24 178.49 1dji h GLY 274 N -0.05 0.28 0.92 2.75 0.00 -1.57 -0.34 103.07 105.06 1dji h GLY 274 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1dji h GLY 274 CO -0.09 0.16 -0.06 -2.75 0.00 0.00 0.00 176.54 173.80 1dji h PHE 275 N 0.25 -0.14 -0.58 5.60 3.57 0.34 0.02 116.94 125.99 1dji h PHE 275 Ca 0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1dji h PHE 275 Cb 0.35 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1dji h PHE 275 CO 0.01 -0.02 0.30 1.25 -2.23 0.00 0.00 178.31 177.62 1dji h LEU 276 N -0.24 0.74 -0.61 0.59 5.85 -0.60 -1.14 115.31 119.91 1dji h LEU 276 Ca -0.02 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1dji h LEU 276 Cb 0.19 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1dji h LEU 276 CO 0.03 0.64 0.36 0.24 -0.34 0.00 0.00 178.44 179.36 1dji h MET 277 N 0.79 0.67 -0.03 1.25 2.86 -0.84 -0.34 114.93 119.29 1dji h MET 277 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1dji h MET 277 Cb 0.08 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1dji h MET 277 CO -0.03 0.44 0.02 -0.92 1.06 0.00 0.00 176.91 177.48 1dji h TYR 278 N 0.69 0.04 -0.10 -0.22 3.20 -0.58 -1.93 116.97 118.07 1dji h TYR 278 Ca 0.25 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.15 1dji h TYR 278 Cb 0.08 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1dji h TYR 278 CO -0.07 0.04 0.09 -0.07 -1.64 0.00 0.00 178.16 176.52 1dji h LEU 279 N 0.03 0.00 -0.29 2.82 3.38 -0.47 -1.41 115.31 119.38 1dji h LEU 279 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dji h LEU 279 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1dji h LEU 279 CO -0.00 0.00 -0.64 0.18 0.09 0.00 0.00 178.44 178.07 1dji n LEU 280 N -4.00 1.08 -4.89 1.67 4.77 -0.21 -3.93 117.00 111.51 1dji n LEU 280 Ca -0.01 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.29 1dji n LEU 280 Cb 0.20 -0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.40 1dji n LEU 280 CO 0.29 0.23 0.85 -0.94 -1.33 0.00 0.00 177.39 176.49 1dji s SER 281 N -2.81 2.68 0.59 -1.43 1.04 -0.55 -4.84 113.70 108.38 1dji s SER 281 Ca 0.14 0.27 0.34 0.00 0.48 0.00 0.00 55.95 57.18 1dji s SER 281 Cb 0.17 -0.30 1.86 0.00 0.10 0.00 0.00 66.02 67.85 1dji s SER 281 CO 0.70 -3.01 2.21 0.00 0.98 0.00 0.00 173.24 174.13 1dji h ALA 282 N -1.83 1.21 0.00 5.32 0.00 -1.91 -0.15 119.26 121.91 1dji h ALA 282 Ca -0.44 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1dji h ALA 282 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1dji h ALA 282 CO 0.35 0.05 -0.75 -0.44 0.00 0.00 0.00 179.25 178.46 1dji h ASP 283 N 0.00 0.00 0.19 0.00 3.32 -1.92 -3.22 116.42 114.78 1dji h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dji h ASP 283 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1dji h ASP 283 CO 0.00 0.55 -0.37 0.61 -1.72 0.00 0.00 179.24 178.31 1dji n GLY 284 N 1.27 -0.54 3.74 2.75 0.00 -0.21 -4.93 105.19 107.27 1dji n GLY 284 Ca -0.01 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1dji n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dji n ASN 285 N -0.62 3.80 0.30 1.61 2.85 -0.35 -1.98 115.26 120.87 1dji n ASN 285 Ca 0.10 1.15 0.19 0.00 -0.11 0.00 0.00 54.58 55.91 1dji n ASN 285 Cb 0.38 -1.59 0.86 0.00 1.24 0.00 0.00 39.78 40.67 1dji n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dji h ALA 286 N 4.70 1.02 -2.22 5.20 0.00 -1.72 -3.38 119.26 122.87 1dji h ALA 286 Ca -0.47 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.76 1dji h ALA 286 Cb 1.23 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 1dji h ALA 286 CO 0.79 0.02 0.03 0.12 0.00 0.00 0.00 179.25 180.20 1dji s PHE 287 N -3.86 3.09 -0.49 0.00 2.19 -1.26 -0.89 117.98 116.75 1dji s PHE 287 Ca -0.01 -0.20 -0.45 0.00 0.33 0.00 0.00 56.93 56.60 1dji s PHE 287 Cb 0.11 -3.25 -0.19 0.00 -1.31 0.00 0.00 43.02 38.37 1dji s PHE 287 CO 0.50 -0.85 1.93 0.45 1.83 0.00 0.00 175.22 179.09 1dji n SER 288 N 6.09 1.00 -0.34 6.13 2.88 0.13 -4.85 113.62 124.66 1dji n SER 288 Ca -0.04 0.87 0.02 0.00 -1.33 0.00 0.00 58.87 58.40 1dji n SER 288 Cb 0.47 -0.91 0.16 0.00 -0.75 0.00 0.00 64.21 63.19 1dji n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1dji h LEU 289 N 7.56 0.91 -1.30 2.46 5.85 -1.85 -1.74 115.31 127.21 1dji h LEU 289 Ca -0.24 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1dji h LEU 289 Cb 1.40 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1dji h LEU 289 CO 1.04 0.57 0.52 0.00 -0.34 0.00 0.00 178.44 180.23 1dji h ALA 290 N 1.44 1.64 0.00 1.25 0.00 -1.92 -0.62 119.26 121.04 1dji h ALA 290 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dji h ALA 290 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dji h ALA 290 CO -0.19 0.24 0.00 0.72 0.00 0.00 0.00 179.25 180.03 1dji n HIS 291 N -4.48 0.00 0.36 0.00 8.25 -0.67 -3.61 115.22 115.07 1dji n HIS 291 Ca 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1dji n HIS 291 Cb 0.22 -0.20 0.11 0.00 1.12 0.00 0.00 29.99 31.24 1dji n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1dji n ARG 292 N -1.20 2.07 -3.86 -0.41 1.74 -0.24 -1.81 116.66 112.95 1dji n ARG 292 Ca 0.16 -1.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.12 1dji n ARG 292 Cb 0.20 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 29.88 1dji n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1dji s ARG 293 N -1.45 0.62 -0.03 5.56 1.70 -1.24 -4.29 118.95 119.82 1dji s ARG 293 Ca 0.18 -0.54 -0.30 0.00 -0.47 0.00 0.00 55.73 54.60 1dji s ARG 293 Cb 0.14 0.26 -0.08 0.00 -0.57 0.00 0.00 34.95 34.69 1dji s ARG 293 CO 0.05 -0.17 2.03 0.28 -1.08 0.00 0.00 175.30 176.41 1dji n VAL 294 N 0.97 0.67 -0.56 4.99 0.31 -1.26 -2.88 118.33 120.57 1dji n VAL 294 Ca -0.20 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1dji n VAL 294 Cb 0.58 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1dji n VAL 294 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dji n TYR 295 N 8.40 0.00 -2.95 3.52 4.11 -1.26 -4.94 117.16 124.04 1dji n TYR 295 Ca 0.22 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.89 1dji n TYR 295 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.76 1dji n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1dji s GLN 296 N -0.06 3.13 -0.39 -3.48 -0.21 -1.26 -5.00 119.66 112.39 1dji s GLN 296 Ca 0.00 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 54.73 1dji s GLN 296 Cb 0.00 -2.53 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 1dji s GLN 296 CO 0.00 -0.26 1.92 0.34 -2.12 0.00 0.00 175.29 175.17 1dji s ASP 297 N -4.20 5.57 -0.28 5.90 2.15 -1.26 -4.85 116.67 119.70 1dji s ASP 297 Ca 0.48 1.17 0.07 0.00 0.43 0.00 0.00 52.55 54.70 1dji s ASP 297 Cb -0.10 -2.52 0.60 0.00 -0.30 0.00 0.00 42.92 40.59 1dji s ASP 297 CO 0.39 -1.99 1.63 0.23 -0.17 0.00 0.00 175.17 175.27 1dji n MET 298 N 8.67 3.00 -0.12 4.34 2.81 -1.26 -4.37 117.12 130.19 1dji n MET 298 Ca 0.25 -2.47 0.05 0.00 -1.81 0.00 0.00 57.70 53.71 1dji n MET 298 Cb 0.48 -2.03 0.11 0.00 -0.71 0.00 0.00 33.22 31.08 1dji n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1dji n ASP 299 N -0.21 2.57 -4.97 7.83 8.00 -1.26 -1.78 116.55 126.73 1dji n ASP 299 Ca 0.36 -1.86 -0.21 0.00 0.71 0.00 0.00 54.79 53.79 1dji n ASP 299 Cb 1.25 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 42.23 1dji n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1dji s GLN 300 N -0.95 2.62 0.41 -1.24 -0.21 -1.26 -4.72 119.66 114.31 1dji s GLN 300 Ca 0.18 -0.78 -0.25 0.00 0.02 0.00 0.00 55.36 54.53 1dji s GLN 300 Cb 0.10 -2.51 -0.08 0.00 1.00 0.00 0.00 33.01 31.51 1dji s GLN 300 CO 0.13 -0.63 1.26 -1.25 -2.12 0.00 0.00 175.29 172.68 1dji s PRO 301 N -4.71 3.95 0.32 2.91 0.05 -1.26 -3.81 135.00 132.46 1dji s PRO 301 Ca 0.56 2.04 0.18 0.00 0.05 0.00 0.00 61.00 63.84 1dji s PRO 301 Cb -0.10 -2.70 1.15 0.00 0.05 0.00 0.00 34.50 32.90 1dji s PRO 301 CO 0.38 -0.47 1.34 1.28 0.05 0.00 0.00 177.00 179.59 1dji n LEU 302 N 0.05 0.29 0.00 -3.56 4.77 -0.16 -0.22 117.00 118.17 1dji n LEU 302 Ca 0.04 1.40 0.03 0.00 -0.03 0.00 0.00 56.01 57.45 1dji n LEU 302 Cb 0.45 -0.68 0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1dji n LEU 302 CO 0.54 -1.57 0.55 -1.54 -1.33 0.00 0.00 177.39 174.04 1dji n SER 303 N -4.89 0.00 -0.59 -1.43 3.41 -1.26 -2.02 113.62 106.83 1dji n SER 303 Ca 0.32 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 1dji n SER 303 Cb 1.11 -0.41 0.35 0.00 -0.26 0.00 0.00 64.21 65.00 1dji n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dji n HIS 304 N -1.41 0.00 -4.35 7.33 8.25 0.70 -4.64 115.22 121.09 1dji n HIS 304 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1dji n HIS 304 Cb 0.05 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 1dji n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1dji s TYR 305 N -2.09 2.47 0.18 4.41 1.51 -0.86 -0.30 117.35 122.67 1dji s TYR 305 Ca 0.32 -0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 55.87 1dji s TYR 305 Cb 0.20 -1.24 -0.08 0.00 -0.11 0.00 0.00 41.96 40.73 1dji s TYR 305 CO 0.36 0.47 0.73 -0.51 -1.11 0.00 0.00 175.55 175.49 1dji s LEU 306 N -2.59 4.48 -0.09 -1.29 1.43 0.16 -4.66 118.68 116.13 1dji s LEU 306 Ca 0.21 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1dji s LEU 306 Cb -0.09 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.78 1dji s LEU 306 CO 0.12 0.15 -0.16 -0.69 0.23 0.00 0.00 176.35 175.99 1dji s VAL 307 N -1.29 1.49 -0.11 -1.59 1.01 -0.46 -1.37 120.40 118.08 1dji s VAL 307 Ca 0.38 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1dji s VAL 307 Cb -0.20 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1dji s VAL 307 CO 0.23 0.44 1.90 -0.55 0.00 0.00 0.00 175.10 177.11 1dji s SER 308 N 0.65 6.19 -0.01 3.32 0.15 -0.51 -4.35 113.70 119.15 1dji s SER 308 Ca -0.14 2.12 0.04 0.00 0.70 0.00 0.00 55.95 58.67 1dji s SER 308 Cb -0.16 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1dji s SER 308 CO 0.04 -1.34 -0.13 -0.44 1.20 0.00 0.00 173.24 172.57 1dji s SER 309 N 5.27 1.53 -0.01 5.45 0.01 -1.26 -0.48 113.70 124.20 1dji s SER 309 Ca 0.85 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.89 1dji s SER 309 Cb -0.34 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 1dji s SER 309 CO 0.35 0.15 -0.06 -0.55 0.41 0.00 0.00 173.24 173.55 1dji s SER 310 N -0.35 4.71 -0.19 2.44 0.15 0.30 -2.24 113.70 118.52 1dji s SER 310 Ca 0.05 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.54 1dji s SER 310 Cb -0.05 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 1dji s SER 310 CO -0.00 0.30 0.03 -2.28 1.20 0.00 0.00 173.24 172.48 1dji s HIS 311 N -0.98 3.12 -1.35 3.44 5.04 0.13 -4.24 115.29 120.45 1dji s HIS 311 Ca 0.17 -0.22 -0.10 0.00 -1.54 0.00 0.00 55.06 53.37 1dji s HIS 311 Cb -0.11 -2.08 0.01 0.00 0.04 0.00 0.00 32.58 30.44 1dji s HIS 311 CO 0.07 -0.07 0.46 0.09 -2.34 0.00 0.00 174.74 172.95 1dji n ASN 312 N 3.93 -1.75 -0.47 9.88 3.02 -1.26 -4.57 115.26 124.04 1dji n ASN 312 Ca -0.17 -1.11 0.42 0.00 -0.03 0.00 0.00 54.58 53.69 1dji n ASN 312 Cb 0.52 -2.62 0.76 0.00 -0.61 0.00 0.00 39.78 37.83 1dji n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1dji h THR 313 N -1.97 0.25 0.00 3.41 2.02 -1.79 -0.50 112.91 114.32 1dji h THR 313 Ca -0.66 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1dji h THR 313 Cb 1.38 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1dji h THR 313 CO 0.59 0.00 0.00 0.10 0.37 0.00 0.00 175.52 176.59 1dji h TYR 314 N 0.02 0.00 -3.65 3.16 -0.00 -1.86 -3.34 116.97 111.29 1dji h TYR 314 Ca 0.72 0.00 -0.51 0.00 0.00 0.00 0.00 58.73 58.94 1dji h TYR 314 Cb 2.81 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 39.52 1dji h TYR 314 CO -0.00 0.00 0.27 -0.51 -0.00 0.00 0.00 178.16 177.92 1dji s LEU 315 N -5.92 4.61 -0.08 0.10 1.43 -0.20 -1.23 118.68 117.39 1dji s LEU 315 Ca 0.00 1.80 0.18 0.00 -1.03 0.00 0.00 54.13 55.08 1dji s LEU 315 Cb 0.10 -3.49 -0.27 0.00 0.03 0.00 0.00 46.19 42.56 1dji s LEU 315 CO 0.49 0.17 0.29 0.18 0.23 0.00 0.00 176.35 177.72 1dji n LEU 316 N 1.48 0.00 0.00 1.79 4.77 -0.81 -4.75 117.00 119.47 1dji n LEU 316 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1dji n LEU 316 Cb 0.48 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1dji n LEU 316 CO 0.48 0.15 0.00 -0.62 -1.33 0.00 0.00 177.39 176.07 1dji n GLU 317 N -2.33 0.00 -1.31 3.23 1.02 -1.26 -4.89 120.64 115.11 1dji n GLU 317 Ca -0.12 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.73 1dji n GLU 317 Cb 0.70 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.29 1dji n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1dji s ASP 318 N 1.00 2.58 0.00 1.62 -4.77 -1.26 -4.70 116.67 111.14 1dji s ASP 318 Ca 0.00 0.96 0.27 0.00 -3.30 0.00 0.00 52.55 50.48 1dji s ASP 318 Cb 0.00 -1.49 0.86 0.00 -1.09 0.00 0.00 42.92 41.20 1dji s ASP 318 CO 0.00 -3.13 1.64 0.00 0.70 0.00 0.00 175.17 174.38 1dji n GLN 319 N -4.14 0.39 -0.07 2.11 1.13 -0.15 -4.12 117.38 112.53 1dji n GLN 319 Ca 0.07 -0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 54.85 1dji n GLN 319 Cb 0.58 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.37 1dji n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1dji n LEU 320 N -1.15 2.96 0.00 1.08 4.77 -1.26 -4.78 117.00 118.62 1dji n LEU 320 Ca 0.10 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1dji n LEU 320 Cb 0.32 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1dji n LEU 320 CO 0.29 0.74 0.00 0.35 -1.33 0.00 0.00 177.39 177.44 1dji n THR 321 N -2.92 0.00 -0.97 -5.08 -2.24 -1.26 -0.01 114.28 101.79 1dji n THR 321 Ca -0.26 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1dji n THR 321 Cb 0.77 1.31 0.25 0.00 -2.10 0.00 0.00 70.33 70.56 1dji n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1dji s GLY 322 N -0.04 1.56 0.57 3.38 0.00 -1.26 -4.41 107.32 107.13 1dji s GLY 322 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 43.67 1dji s GLY 322 CO 0.00 -0.04 0.95 2.56 0.00 0.00 0.00 173.10 176.57 1dji s PRO 323 N -5.38 3.59 0.18 2.90 0.04 -1.26 -2.31 135.00 132.76 1dji s PRO 323 Ca 0.71 0.58 0.11 0.00 0.04 0.00 0.00 61.00 62.44 1dji s PRO 323 Cb -0.10 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1dji s PRO 323 CO 0.56 -0.45 -0.20 -1.12 0.04 0.00 0.00 177.00 175.83 1dji s SER 324 N -4.12 3.65 -0.20 6.66 0.01 -1.25 -1.93 113.70 116.52 1dji s SER 324 Ca 0.53 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 1dji s SER 324 Cb -0.11 -0.38 0.14 0.00 0.21 0.00 0.00 66.02 65.89 1dji s SER 324 CO 0.50 0.12 1.10 -0.55 0.41 0.00 0.00 173.24 174.82 1dji s SER 325 N -2.64 -0.28 0.47 2.44 0.15 -0.37 -4.80 113.70 108.66 1dji s SER 325 Ca 0.21 0.31 0.16 0.00 0.70 0.00 0.00 55.95 57.34 1dji s SER 325 Cb -0.08 0.23 1.11 0.00 -1.71 0.00 0.00 66.02 65.57 1dji s SER 325 CO 0.11 -0.26 2.03 0.71 1.20 0.00 0.00 173.24 177.03 1dji h THR 326 N 2.44 1.04 -0.97 6.45 1.35 -1.96 -0.12 112.91 121.15 1dji h THR 326 Ca -0.16 -0.52 0.15 0.00 -0.55 0.00 0.00 66.41 65.33 1dji h THR 326 Cb 1.17 1.28 -0.09 0.00 -1.73 0.00 0.00 68.15 68.78 1dji h THR 326 CO 0.28 0.14 0.58 -0.08 -0.25 0.00 0.00 175.52 176.20 1dji h GLU 327 N 0.00 0.82 -0.94 4.72 4.57 -1.94 0.90 114.58 122.72 1dji h GLU 327 Ca -0.00 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.21 1dji h GLU 327 Cb 0.27 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 28.60 1dji h GLU 327 CO 0.02 0.55 0.59 0.00 -1.18 0.00 0.00 179.01 178.98 1dji h ALA 328 N 1.57 1.34 -0.15 2.92 0.00 -1.28 0.27 119.26 123.93 1dji h ALA 328 Ca 0.51 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.25 1dji h ALA 328 Cb 0.64 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dji h ALA 328 CO -0.32 0.30 -0.61 1.88 0.00 0.00 0.00 179.25 180.50 1dji h TYR 329 N 1.03 0.66 0.13 0.00 0.05 -0.95 -2.63 116.97 115.26 1dji h TYR 329 Ca 0.43 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1dji h TYR 329 Cb 0.28 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1dji h TYR 329 CO -0.02 1.00 -0.06 0.82 -1.05 0.00 0.00 178.16 178.84 1dji h ILE 330 N 0.38 1.00 -0.14 -2.88 2.04 0.61 -1.88 117.51 116.65 1dji h ILE 330 Ca -0.01 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1dji h ILE 330 Cb 1.17 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1dji h ILE 330 CO 0.11 0.14 -0.19 0.03 0.00 0.00 0.00 178.15 178.23 1dji h ARG 331 N -0.45 -0.23 -0.88 2.37 3.08 -0.61 0.97 114.38 118.62 1dji h ARG 331 Ca -0.02 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1dji h ARG 331 Cb 0.36 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1dji h ARG 331 CO 0.03 -0.16 0.54 0.00 -1.07 0.00 0.00 179.97 179.32 1dji h ALA 332 N 0.77 1.22 -0.45 0.04 0.00 -1.47 -0.08 119.26 119.29 1dji h ALA 332 Ca 0.10 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1dji h ALA 332 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1dji h ALA 332 CO -0.28 0.27 -0.11 -0.07 0.00 0.00 0.00 179.25 179.05 1dji h LEU 333 N 0.97 0.82 -0.99 0.00 3.38 -0.48 -0.59 115.31 118.41 1dji h LEU 333 Ca 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dji h LEU 333 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dji h LEU 333 CO -0.19 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1dji n LYS 335 N -2.53 2.25 -0.76 0.00 5.02 -0.23 -4.89 118.16 117.01 1dji n LYS 335 Ca 0.01 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1dji n LYS 335 Cb 0.25 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1dji n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dji n GLY 336 N 1.20 0.73 3.71 0.72 0.00 -0.09 -5.02 105.19 106.44 1dji n GLY 336 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1dji n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dji n ARG 338 N 2.61 1.19 -3.75 0.00 5.12 0.37 -4.59 116.66 117.60 1dji n ARG 338 Ca 0.12 -0.01 -0.38 0.00 -1.93 0.00 0.00 57.85 55.65 1dji n ARG 338 Cb 0.34 -1.44 -0.12 0.00 -1.16 0.00 0.00 32.46 30.08 1dji n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dji s LEU 340 N 1.45 3.41 -0.08 0.00 1.43 0.38 -0.54 118.68 124.73 1dji s LEU 340 Ca 0.00 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1dji s LEU 340 Cb -0.18 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1dji s LEU 340 CO 0.03 -0.03 -0.19 -1.61 0.23 0.00 0.00 176.35 174.78 1dji s GLU 341 N -3.75 2.44 -0.17 1.70 2.02 -1.26 -0.35 118.70 119.33 1dji s GLU 341 Ca 0.32 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.65 1dji s GLU 341 Cb -0.07 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.30 1dji s GLU 341 CO 0.22 0.11 -0.15 -0.51 0.02 0.00 0.00 175.26 174.95 1dji s LEU 342 N 0.49 1.95 -0.63 1.80 1.02 0.46 -3.76 118.68 120.02 1dji s LEU 342 Ca -0.17 -0.62 -0.13 0.00 0.02 0.00 0.00 54.13 53.23 1dji s LEU 342 Cb -0.17 -1.28 0.16 0.00 0.02 0.00 0.00 46.19 44.92 1dji s LEU 342 CO 0.07 -0.06 0.56 -1.81 0.02 0.00 0.00 176.35 175.12 1dji s ASP 343 N 1.41 6.22 -0.23 2.29 1.01 -1.26 -0.91 116.67 125.19 1dji s ASP 343 Ca 0.04 -2.20 -0.21 0.00 0.71 0.00 0.00 52.55 50.88 1dji s ASP 343 Cb -0.14 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1dji s ASP 343 CO -0.11 -0.69 0.66 0.00 0.21 0.00 0.00 175.17 175.24 1dji s TRP 345 N 2.33 1.70 0.33 0.00 0.52 0.23 -0.37 118.94 123.68 1dji s TRP 345 Ca 0.28 -0.54 -0.29 0.00 0.02 0.00 0.00 56.10 55.57 1dji s TRP 345 Cb -0.16 -0.82 -0.10 0.00 -1.15 0.00 0.00 33.47 31.25 1dji s TRP 345 CO 0.09 0.32 1.31 -0.51 0.02 0.00 0.00 176.95 178.18 1dji s ASP 346 N -3.03 6.77 0.35 2.95 1.11 -1.26 0.06 116.67 123.62 1dji s ASP 346 Ca 0.19 2.69 0.04 0.00 0.18 0.00 0.00 52.55 55.64 1dji s ASP 346 Cb -0.03 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.26 1dji s ASP 346 CO 0.06 -0.53 0.07 -0.83 1.18 0.00 0.00 175.17 175.12 1dji s GLY 347 N -0.49 2.25 0.87 0.21 0.00 -0.89 -4.60 107.32 104.67 1dji s GLY 347 Ca 0.49 -1.79 -0.13 0.00 0.00 0.00 0.00 44.72 43.29 1dji s GLY 347 CO 0.53 -1.84 0.87 -1.05 0.00 0.00 0.00 173.10 171.61 1dji n PRO 348 N -0.77 -0.11 -2.46 2.90 -0.02 -1.26 -3.24 135.00 130.04 1dji n PRO 348 Ca -0.04 0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.32 1dji n PRO 348 Cb 0.66 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1dji n PRO 348 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1dji n ASN 349 N -2.58 -4.59 -2.23 2.55 5.15 -1.26 -1.66 115.26 110.64 1dji n ASN 349 Ca 0.11 0.10 -0.19 0.00 -0.60 0.00 0.00 54.58 54.00 1dji n ASN 349 Cb 0.52 -3.86 -0.00 0.00 -0.53 0.00 0.00 39.78 35.90 1dji n ASN 349 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dji n GLN 350 N -2.92 -1.94 -4.03 1.20 1.13 -1.20 -4.97 117.38 104.65 1dji n GLN 350 Ca -0.17 0.90 -0.34 0.00 -1.94 0.00 0.00 57.00 55.45 1dji n GLN 350 Cb 0.63 -5.46 -0.15 0.00 0.11 0.00 0.00 30.24 25.38 1dji n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1dji s GLU 351 N -5.03 2.87 0.40 -1.09 0.41 -0.67 -4.92 118.70 110.68 1dji s GLU 351 Ca 0.04 -0.93 -0.26 0.00 -0.41 0.00 0.00 54.97 53.41 1dji s GLU 351 Cb -0.02 -2.81 -0.09 0.00 -1.78 0.00 0.00 34.13 29.44 1dji s GLU 351 CO 0.05 -0.32 1.33 -2.14 -0.49 0.00 0.00 175.26 173.69 1dji s PRO 352 N 1.30 3.99 0.39 0.39 0.02 -1.26 -2.09 135.00 137.74 1dji s PRO 352 Ca 0.01 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.33 1dji s PRO 352 Cb -0.15 -2.79 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 1dji s PRO 352 CO -0.08 -0.50 0.11 0.96 -0.33 0.00 0.00 177.00 177.17 1dji s ILE 353 N -1.23 2.40 -0.04 2.83 -4.36 0.11 -1.33 121.20 119.58 1dji s ILE 353 Ca 0.56 -1.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.18 1dji s ILE 353 Cb -0.39 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.37 1dji s ILE 353 CO 0.51 -0.06 -0.13 -0.63 0.24 0.00 0.00 174.94 174.86 1dji s ILE 354 N -2.58 1.15 -0.02 8.37 1.01 0.82 -0.61 121.20 129.34 1dji s ILE 354 Ca 0.38 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1dji s ILE 354 Cb 0.03 -1.01 0.11 0.00 0.01 0.00 0.00 42.46 41.60 1dji s ILE 354 CO 0.21 0.34 1.30 -0.72 0.00 0.00 0.00 174.94 176.07 1dji s TYR 355 N 0.20 0.00 -0.60 3.97 1.13 -1.02 -1.67 117.35 119.37 1dji s TYR 355 Ca -0.05 -0.11 -0.26 0.00 -1.41 0.00 0.00 57.07 55.24 1dji s TYR 355 Cb -0.11 0.55 0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1dji s TYR 355 CO 0.02 -0.26 1.09 -1.58 -2.51 0.00 0.00 175.55 172.31 1dji s HIS 356 N -2.16 2.64 0.01 -3.49 5.65 -1.26 -4.62 115.29 112.06 1dji s HIS 356 Ca 0.23 0.13 -0.40 0.00 0.25 0.00 0.00 55.06 55.27 1dji s HIS 356 Cb 0.02 -4.35 -0.20 0.00 -1.18 0.00 0.00 32.58 26.88 1dji s HIS 356 CO -0.02 -1.57 1.11 0.41 -0.65 0.00 0.00 174.74 174.02 1dji n GLY 357 N 5.14 -0.17 2.28 1.59 0.00 -1.26 -2.01 105.19 110.77 1dji n GLY 357 Ca 0.04 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 1dji n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dji n TYR 358 N 1.65 -0.48 -4.27 1.61 4.01 -1.26 -5.01 117.16 113.42 1dji n TYR 358 Ca 0.20 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.79 1dji n TYR 358 Cb 0.10 -2.76 -0.05 0.00 -0.31 0.00 0.00 39.34 36.31 1dji n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1dji n THR 359 N -3.69 0.00 -1.05 -0.72 -2.24 -0.85 -5.03 114.28 100.70 1dji n THR 359 Ca -0.15 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.01 1dji n THR 359 Cb 0.58 0.69 0.30 0.00 -2.10 0.00 0.00 70.33 69.80 1dji n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1dji n PHE 360 N -0.52 1.90 -2.08 4.78 3.01 0.98 -4.95 117.46 120.58 1dji n PHE 360 Ca 0.01 -1.08 -0.40 0.00 1.01 0.00 0.00 57.45 56.99 1dji n PHE 360 Cb 0.41 -0.55 -0.01 0.00 -0.01 0.00 0.00 39.48 39.32 1dji n PHE 360 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1dji s THR 361 N -2.95 2.65 0.90 4.37 -4.23 -1.11 -4.48 115.64 110.80 1dji s THR 361 Ca 0.51 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.53 1dji s THR 361 Cb 0.41 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 71.01 1dji s THR 361 CO 0.12 0.12 1.15 -1.54 -0.54 0.00 0.00 174.62 173.93 1dji n SER 362 N 0.41 0.45 -4.70 3.99 3.41 -0.98 -4.68 113.62 111.52 1dji n SER 362 Ca 0.02 0.45 -0.23 0.00 -0.26 0.00 0.00 58.87 58.85 1dji n SER 362 Cb 0.43 -1.48 -0.07 0.00 -0.26 0.00 0.00 64.21 62.83 1dji n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1dji s LYS 363 N -4.53 2.34 0.23 4.33 1.02 -1.26 -3.91 119.74 117.95 1dji s LYS 363 Ca 0.68 -1.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 1dji s LYS 363 Cb -0.24 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1dji s LYS 363 CO 0.57 0.19 0.36 0.96 -0.92 0.00 0.00 175.35 176.50 1dji s ILE 364 N -2.40 0.00 0.04 2.17 -4.36 -0.67 -4.87 121.20 111.11 1dji s ILE 364 Ca 0.36 -1.59 -0.21 0.00 -0.26 0.00 0.00 60.65 58.94 1dji s ILE 364 Cb -0.03 -2.28 -0.06 0.00 1.25 0.00 0.00 42.46 41.34 1dji s ILE 364 CO 0.22 -0.01 0.63 -0.76 0.24 0.00 0.00 174.94 175.26 1dji s LEU 365 N -3.06 4.47 0.27 0.37 1.43 -1.26 -0.13 118.68 120.76 1dji s LEU 365 Ca 0.27 1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1dji s LEU 365 Cb 0.02 -3.00 0.48 0.00 0.03 0.00 0.00 46.19 43.71 1dji s LEU 365 CO 0.10 0.14 1.83 0.15 0.23 0.00 0.00 176.35 178.80 1dji h PHE 366 N 5.23 1.06 -0.28 0.29 3.57 -1.48 -0.37 116.94 124.96 1dji h PHE 366 Ca -0.46 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1dji h PHE 366 Cb 1.21 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1dji h PHE 366 CO 0.66 0.45 -0.04 0.00 -2.23 0.00 0.00 178.31 177.14 1dji h ASP 368 N 0.30 1.05 -0.50 0.00 5.19 -1.79 -1.75 116.42 118.91 1dji h ASP 368 Ca 0.07 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1dji h ASP 368 Cb 0.51 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1dji h ASP 368 CO 0.02 0.69 0.28 0.58 -3.12 0.00 0.00 179.24 177.69 1dji h VAL 369 N 1.20 1.17 -0.34 -1.35 2.07 -0.68 -2.40 116.25 115.93 1dji h VAL 369 Ca 0.41 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1dji h VAL 369 Cb 0.08 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1dji h VAL 369 CO -0.15 0.18 0.17 -0.07 0.02 0.00 0.00 177.57 177.73 1dji h LEU 370 N 0.67 0.41 -0.19 2.57 3.38 -0.42 -1.41 115.31 120.31 1dji h LEU 370 Ca 0.18 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1dji h LEU 370 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dji h LEU 370 CO -0.03 0.35 -0.41 0.03 0.09 0.00 0.00 178.44 178.47 1dji h ARG 371 N 0.47 0.61 -0.47 1.13 3.08 -1.01 0.43 114.38 118.62 1dji h ARG 371 Ca 0.12 -0.41 0.03 0.00 0.07 0.00 0.00 59.98 59.80 1dji h ARG 371 Cb 0.03 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1dji h ARG 371 CO -0.02 1.02 0.26 0.00 -1.07 0.00 0.00 179.97 180.16 1dji h ALA 372 N 0.59 0.60 -0.60 0.04 0.00 -1.06 0.25 119.26 119.08 1dji h ALA 372 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1dji h ALA 372 Cb 1.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1dji h ALA 372 CO 0.09 -0.07 0.26 0.82 0.00 0.00 0.00 179.25 180.35 1dji h ILE 373 N 0.52 1.22 -0.54 0.00 2.04 -1.13 -1.05 117.51 118.58 1dji h ILE 373 Ca 0.20 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1dji h ILE 373 Cb 0.06 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1dji h ILE 373 CO -0.11 0.27 0.30 -0.09 0.00 0.00 0.00 178.15 178.52 1dji h ARG 374 N 0.83 0.58 -0.01 2.37 2.43 -0.21 0.18 114.38 120.55 1dji h ARG 374 Ca 0.20 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1dji h ARG 374 Cb 0.18 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1dji h ARG 374 CO -0.02 0.38 -0.49 -0.44 -1.51 0.00 0.00 179.97 177.89 1dji h ASP 375 N 0.59 0.02 -0.00 -3.80 3.32 0.08 -3.35 116.42 113.28 1dji h ASP 375 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1dji h ASP 375 Cb 0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1dji h ASP 375 CO -0.13 0.51 -0.13 -1.22 -1.72 0.00 0.00 179.24 176.55 1dji n TYR 376 N -3.96 0.00 -0.34 4.55 4.02 -0.45 -4.75 117.16 116.23 1dji n TYR 376 Ca -0.02 0.00 0.27 0.00 -0.01 0.00 0.00 57.90 58.14 1dji n TYR 376 Cb 0.51 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.34 1dji n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dji h ALA 377 N 0.88 2.08 -0.00 -0.72 0.00 -0.78 -2.18 119.26 118.53 1dji h ALA 377 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1dji h ALA 377 Cb 0.17 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dji h ALA 377 CO 0.00 -0.72 0.00 1.19 0.00 0.00 0.00 179.25 179.72 1dji n PHE 378 N -5.04 0.01 -0.14 0.00 3.72 -1.26 -4.66 117.46 110.10 1dji n PHE 378 Ca 0.33 -0.62 0.07 0.00 -0.05 0.00 0.00 57.45 57.19 1dji n PHE 378 Cb 1.08 -0.07 0.39 0.00 -0.94 0.00 0.00 39.48 39.94 1dji n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1dji h LYS 379 N 0.02 0.64 0.00 -1.08 3.64 -1.68 -3.02 116.57 115.09 1dji h LYS 379 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1dji h LYS 379 Cb 0.62 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1dji h LYS 379 CO 0.00 0.42 -1.52 0.00 -2.27 0.00 0.00 179.45 176.08 1dji n ALA 380 N -2.47 3.59 -3.54 5.00 0.00 -1.26 -5.00 120.51 116.83 1dji n ALA 380 Ca 0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 1dji n ALA 380 Cb 0.24 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1dji n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dji s SER 381 N -3.76 -0.51 0.28 0.00 0.15 -1.14 -4.65 113.70 104.06 1dji s SER 381 Ca -0.01 0.53 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1dji s SER 381 Cb 0.14 0.43 0.23 0.00 -1.71 0.00 0.00 66.02 65.11 1dji s SER 381 CO 0.85 -0.50 1.34 1.55 1.20 0.00 0.00 173.24 177.68 1dji h PRO 382 N 2.73 0.00 -7.14 5.44 0.13 -1.87 -3.37 132.00 127.93 1dji h PRO 382 Ca -0.23 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.38 1dji h PRO 382 Cb 1.16 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.40 1dji h PRO 382 CO 0.35 0.00 0.41 0.71 -0.23 0.00 0.00 178.00 179.25 1dji s TYR 383 N -3.26 2.48 0.26 1.56 2.02 -1.26 -0.64 117.35 118.50 1dji s TYR 383 Ca 0.04 1.55 -0.29 0.00 -0.37 0.00 0.00 57.07 57.99 1dji s TYR 383 Cb 0.09 -3.33 -0.14 0.00 -0.40 0.00 0.00 41.96 38.18 1dji s TYR 383 CO 0.72 -1.94 1.10 -0.35 -1.57 0.00 0.00 175.55 173.50 1dji n PRO 384 N -1.99 1.40 -3.96 -1.71 -0.04 -1.25 -4.66 135.00 122.79 1dji n PRO 384 Ca 0.12 0.49 -0.36 0.00 -0.04 0.00 0.00 63.50 63.71 1dji n PRO 384 Cb 0.51 -1.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 1dji n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dji s VAL 385 N -0.76 5.22 -0.15 0.52 1.01 -0.92 -4.86 120.40 120.47 1dji s VAL 385 Ca 0.63 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1dji s VAL 385 Cb -0.73 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1dji s VAL 385 CO 0.57 0.58 -0.13 -0.63 0.00 0.00 0.00 175.10 175.49 1dji s ILE 386 N -0.68 2.96 -0.25 2.22 1.01 0.58 -0.36 121.20 126.68 1dji s ILE 386 Ca 0.13 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 1dji s ILE 386 Cb -0.12 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1dji s ILE 386 CO 0.02 0.51 0.05 -0.76 0.00 0.00 0.00 174.94 174.76 1dji s LEU 387 N 0.67 3.41 -0.41 2.97 1.43 0.20 -0.47 118.68 126.48 1dji s LEU 387 Ca -0.06 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1dji s LEU 387 Cb -0.15 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1dji s LEU 387 CO 0.02 -0.07 0.56 -0.55 0.23 0.00 0.00 176.35 176.54 1dji s SER 388 N 1.55 6.30 -0.27 2.29 0.15 0.53 -0.69 113.70 123.55 1dji s SER 388 Ca 0.05 -0.32 -0.14 0.00 0.70 0.00 0.00 55.95 56.25 1dji s SER 388 Cb -0.15 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1dji s SER 388 CO 0.02 -0.65 0.31 -0.76 1.20 0.00 0.00 173.24 173.36 1dji s LEU 389 N 2.55 4.04 -0.94 3.45 1.43 -0.13 -0.40 118.68 128.67 1dji s LEU 389 Ca 0.19 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1dji s LEU 389 Cb -0.15 -2.33 0.27 0.00 0.03 0.00 0.00 46.19 44.01 1dji s LEU 389 CO 0.16 -0.13 1.09 1.21 0.23 0.00 0.00 176.35 178.90 1dji n GLU 390 N 5.20 3.43 -1.61 1.70 2.13 -0.09 -4.61 120.64 126.79 1dji n GLU 390 Ca -0.10 -4.55 -0.43 0.00 0.66 0.00 0.00 57.16 52.74 1dji n GLU 390 Cb 0.51 -2.44 -0.03 0.00 0.27 0.00 0.00 31.44 29.75 1dji n GLU 390 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1dji n ASN 391 N 1.67 3.46 -0.19 4.31 5.15 -1.26 -3.14 115.26 125.26 1dji n ASN 391 Ca 0.25 0.38 0.09 0.00 -0.60 0.00 0.00 54.58 54.71 1dji n ASN 391 Cb 0.37 -1.54 0.15 0.00 -0.53 0.00 0.00 39.78 38.23 1dji n ASN 391 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1dji n HIS 392 N 10.60 0.15 -3.06 1.20 8.25 0.50 -5.00 115.22 127.87 1dji n HIS 392 Ca 0.28 -0.95 -0.35 0.00 -0.26 0.00 0.00 57.72 56.44 1dji n HIS 392 Cb 0.43 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 1dji n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dji s SER 394 N -1.86 0.70 0.18 0.00 1.04 -1.26 -4.67 113.70 107.83 1dji s SER 394 Ca 0.48 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 58.07 1dji s SER 394 Cb -0.15 -1.91 0.07 0.00 0.10 0.00 0.00 66.02 64.14 1dji s SER 394 CO 0.20 -4.33 1.65 -0.07 0.98 0.00 0.00 173.24 171.66 1dji h LEU 395 N -2.72 1.06 0.08 2.42 3.38 -1.97 -0.16 115.31 117.41 1dji h LEU 395 Ca -0.57 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.10 1dji h LEU 395 Cb 1.34 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1dji h LEU 395 CO 0.47 1.10 -0.04 -0.08 0.09 0.00 0.00 178.44 179.98 1dji h GLU 396 N 0.99 -0.11 0.00 1.13 4.57 -2.00 -2.19 114.58 116.98 1dji h GLU 396 Ca 0.18 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1dji h GLU 396 Cb 0.55 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1dji h GLU 396 CO 0.03 0.10 -0.15 1.96 -1.18 0.00 0.00 179.01 179.78 1dji h GLN 397 N -0.31 0.00 -0.74 1.92 4.20 -1.89 0.28 115.11 118.56 1dji h GLN 397 Ca -0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1dji h GLN 397 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1dji h GLN 397 CO 0.02 0.15 0.26 1.96 -0.67 0.00 0.00 178.83 180.55 1dji h GLN 398 N 0.00 1.14 -0.36 1.46 4.20 -0.86 0.21 115.11 120.90 1dji h GLN 398 Ca -0.00 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 1dji h GLN 398 Cb 0.29 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1dji h GLN 398 CO 0.02 0.95 -0.25 0.00 -0.67 0.00 0.00 178.83 178.87 1dji h ARG 399 N 1.09 0.73 -0.47 1.46 3.08 -0.36 -1.18 114.38 118.73 1dji h ARG 399 Ca 0.24 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1dji h ARG 399 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1dji h ARG 399 CO -0.01 0.91 0.27 0.28 -1.07 0.00 0.00 179.97 180.35 1dji h VAL 400 N 0.63 1.15 -0.15 2.04 2.07 -0.24 -1.03 116.25 120.73 1dji h VAL 400 Ca 0.08 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1dji h VAL 400 Cb 0.76 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1dji h VAL 400 CO 0.06 0.16 -0.30 0.24 0.02 0.00 0.00 177.57 177.75 1dji h MET 401 N 0.62 -0.35 -0.73 1.57 2.86 0.04 0.60 114.93 119.54 1dji h MET 401 Ca 0.17 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1dji h MET 401 Cb 0.02 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1dji h MET 401 CO -0.03 -0.23 0.48 0.00 1.06 0.00 0.00 176.91 178.19 1dji h ALA 402 N 0.50 1.64 -0.04 6.32 0.00 -1.04 0.25 119.26 126.90 1dji h ALA 402 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dji h ALA 402 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1dji h ALA 402 CO -0.36 0.27 0.01 0.00 0.00 0.00 0.00 179.25 179.17 1dji h ARG 403 N 0.82 0.06 -0.56 0.00 3.08 0.26 -2.26 114.38 115.78 1dji h ARG 403 Ca 0.30 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.36 1dji h ARG 403 Cb 0.15 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1dji h ARG 403 CO -0.09 0.24 0.34 0.45 -1.07 0.00 0.00 179.97 179.84 1dji h HIS 404 N -0.14 0.63 -0.13 3.04 3.86 -0.31 0.28 115.15 122.40 1dji h HIS 404 Ca 0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1dji h HIS 404 Cb 0.21 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1dji h HIS 404 CO -0.00 0.36 -0.12 -0.07 0.86 0.00 0.00 177.93 178.96 1dji h LEU 405 N 0.67 -0.38 -0.04 2.43 3.38 -0.84 0.57 115.31 121.10 1dji h LEU 405 Ca 0.23 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1dji h LEU 405 Cb 0.02 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1dji h LEU 405 CO -0.10 -0.16 0.01 -0.09 0.09 0.00 0.00 178.44 178.19 1dji h ARG 406 N -0.14 0.07 0.12 1.13 2.43 -1.16 0.11 114.38 116.94 1dji h ARG 406 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1dji h ARG 406 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1dji h ARG 406 CO -0.21 0.29 -0.06 0.00 -1.51 0.00 0.00 179.97 178.48 1dji h ALA 407 N 0.77 -0.16 0.03 2.80 0.00 -0.06 -1.11 119.26 121.52 1dji h ALA 407 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dji h ALA 407 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dji h ALA 407 CO 0.00 -0.57 -0.01 0.82 0.00 0.00 0.00 179.25 179.49 1dji h ILE 408 N -0.20 1.41 -0.16 0.00 2.04 0.12 -3.34 117.51 117.38 1dji h ILE 408 Ca -0.02 -1.77 -0.13 0.00 1.00 0.00 0.00 64.86 63.95 1dji h ILE 408 Cb 0.16 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1dji h ILE 408 CO 0.03 0.43 -0.46 -0.07 0.00 0.00 0.00 178.15 178.08 1dji h LEU 409 N -0.86 0.43 0.00 1.44 4.07 -0.91 -3.48 115.31 116.00 1dji h LEU 409 Ca -0.00 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1dji h LEU 409 Cb 0.73 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1dji h LEU 409 CO 0.01 0.82 0.00 0.61 -1.08 0.00 0.00 178.44 178.80 1dji n GLY 410 N 0.00 3.18 0.09 0.83 0.00 -0.42 -1.58 105.19 107.29 1dji n GLY 410 Ca -0.02 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1dji n GLY 410 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dji n PRO 411 N 14.00 0.12 0.04 1.61 -0.04 -1.26 -2.36 135.00 147.11 1dji n PRO 411 Ca 0.00 0.42 -0.04 0.00 -0.04 0.00 0.00 63.50 63.84 1dji n PRO 411 Cb 0.00 -1.75 0.18 0.00 -0.04 0.00 0.00 33.50 31.88 1dji n PRO 411 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1dji h ILE 412 N 0.00 1.30 -2.86 0.52 2.04 -1.58 -3.43 117.51 113.50 1dji h ILE 412 Ca 0.00 -1.49 -0.52 0.00 1.00 0.00 0.00 64.86 63.85 1dji h ILE 412 Cb 0.25 1.57 0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1dji h ILE 412 CO 0.00 0.46 0.89 -0.22 0.00 0.00 0.00 178.15 179.28 1dji s LEU 413 N -8.42 4.37 -0.46 1.44 2.96 -1.00 -1.52 118.68 116.05 1dji s LEU 413 Ca -0.06 2.67 -0.20 0.00 -0.22 0.00 0.00 54.13 56.32 1dji s LEU 413 Cb 0.13 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.25 1dji s LEU 413 CO 0.79 -0.84 0.63 -0.22 -1.32 0.00 0.00 176.35 175.40 1dji s LEU 414 N 0.97 4.62 -0.07 -0.68 2.96 -0.58 -4.87 118.68 121.03 1dji s LEU 414 Ca 0.70 -0.50 0.11 0.00 -0.22 0.00 0.00 54.13 54.22 1dji s LEU 414 Cb -0.45 -2.63 0.30 0.00 0.50 0.00 0.00 46.19 43.91 1dji s LEU 414 CO 0.33 -0.81 1.23 -0.90 -1.32 0.00 0.00 176.35 174.88 1dji n ASP 415 N 6.24 2.92 -3.68 3.68 5.68 -1.26 -4.69 116.55 125.44 1dji n ASP 415 Ca -0.03 -2.45 -0.14 0.00 -0.50 0.00 0.00 54.79 51.66 1dji n ASP 415 Cb 0.47 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.08 1dji n ASP 415 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1dji s GLN 416 N -1.80 0.83 0.55 0.11 -1.52 -1.26 -4.82 119.66 111.75 1dji s GLN 416 Ca 0.25 -0.14 -0.20 0.00 -1.95 0.00 0.00 55.36 53.32 1dji s GLN 416 Cb 0.18 0.38 -0.05 0.00 -0.22 0.00 0.00 33.01 33.30 1dji s GLN 416 CO 0.09 -0.26 1.22 -1.25 -0.25 0.00 0.00 175.29 174.84 1dji s PRO 417 N -1.63 3.22 0.53 2.91 0.04 -1.26 -4.97 135.00 133.84 1dji s PRO 417 Ca -0.11 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.61 1dji s PRO 417 Cb -0.03 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1dji s PRO 417 CO 0.04 -1.02 1.11 -0.51 0.04 0.00 0.00 177.00 176.66 1dji s LEU 418 N -3.70 3.78 -0.13 -3.56 1.43 -1.26 -4.95 118.68 110.28 1dji s LEU 418 Ca 0.73 2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 55.67 1dji s LEU 418 Cb -0.31 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.32 1dji s LEU 418 CO 0.36 -1.13 1.17 -1.81 0.23 0.00 0.00 176.35 175.17 1dji s ASP 419 N -1.80 7.05 0.00 2.29 1.11 -1.26 -2.90 116.67 121.16 1dji s ASP 419 Ca 0.71 1.65 0.00 0.00 0.18 0.00 0.00 52.55 55.10 1dji s ASP 419 Cb -0.23 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.22 1dji s ASP 419 CO 0.26 -0.64 0.00 0.61 1.18 0.00 0.00 175.17 176.58 1dji n GLY 420 N 3.40 3.21 3.55 0.21 0.00 -1.26 -4.99 105.19 109.32 1dji n GLY 420 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1dji n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dji s VAL 421 N -2.77 3.35 0.00 1.61 1.01 -1.14 -4.61 120.40 117.84 1dji s VAL 421 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1dji s VAL 421 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1dji s VAL 421 CO 0.00 -0.88 0.00 0.35 0.00 0.00 0.00 175.10 174.57 1dji n THR 422 N 7.35 0.00 0.38 3.92 -2.24 -1.26 -4.73 114.28 117.69 1dji n THR 422 Ca 0.24 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.06 1dji n THR 422 Cb 0.51 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 1dji n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dji n THR 423 N -2.02 0.00 -4.15 4.28 -2.24 -1.26 -5.03 114.28 103.85 1dji n THR 423 Ca 0.00 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1dji n THR 423 Cb 0.30 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1dji n THR 423 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1dji s SER 424 N -1.38 0.15 0.70 3.42 0.01 -1.26 -4.89 113.70 110.44 1dji s SER 424 Ca 0.06 -1.27 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 1dji s SER 424 Cb 0.07 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.70 1dji s SER 424 CO 0.25 -0.86 1.08 -0.76 0.41 0.00 0.00 173.24 173.36 1dji s LEU 425 N -3.11 3.21 1.20 2.44 1.43 -1.26 -4.92 118.68 117.67 1dji s LEU 425 Ca 0.33 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 55.02 1dji s LEU 425 Cb 0.06 -4.52 0.29 0.00 0.03 0.00 0.00 46.19 42.05 1dji s LEU 425 CO 0.09 -1.62 1.16 -2.16 0.23 0.00 0.00 176.35 174.05 1dji s PRO 426 N -4.65 -1.25 0.34 1.29 0.04 -1.26 -4.38 135.00 125.13 1dji s PRO 426 Ca 0.62 -0.27 0.05 0.00 0.04 0.00 0.00 61.00 61.44 1dji s PRO 426 Cb -0.17 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1dji s PRO 426 CO 0.50 -3.69 0.49 -1.54 0.04 0.00 0.00 177.00 172.79 1dji s SER 427 N -4.19 6.01 0.27 6.66 1.04 -1.25 -0.99 113.70 121.24 1dji s SER 427 Ca 0.73 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 57.05 1dji s SER 427 Cb -0.06 -1.38 0.33 0.00 0.10 0.00 0.00 66.02 65.00 1dji s SER 427 CO 0.55 -0.42 1.92 -0.65 0.98 0.00 0.00 173.24 175.63 1dji h PRO 428 N 0.86 1.18 -0.16 4.02 0.11 -1.68 -1.75 132.00 134.59 1dji h PRO 428 Ca -0.47 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 65.57 1dji h PRO 428 Cb 1.25 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1dji h PRO 428 CO 0.55 0.82 0.00 0.93 -0.21 0.00 0.00 178.00 180.09 1dji h GLU 429 N 1.21 0.06 -0.05 1.05 4.39 -1.68 -1.23 114.58 118.32 1dji h GLU 429 Ca 0.32 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.03 1dji h GLU 429 Cb -0.07 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1dji h GLU 429 CO -0.06 0.04 0.05 1.96 -1.16 0.00 0.00 179.01 179.83 1dji h GLN 430 N 0.06 0.00 -0.50 2.33 4.20 -1.61 -2.02 115.11 117.56 1dji h GLN 430 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1dji h GLN 430 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1dji h GLN 430 CO -0.12 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.32 1dji n LEU 431 N -4.04 3.68 -4.59 1.46 4.77 -0.73 -4.94 117.00 112.61 1dji n LEU 431 Ca -0.02 -2.20 -0.51 0.00 -0.03 0.00 0.00 56.01 53.26 1dji n LEU 431 Cb 0.14 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1dji n LEU 431 CO 0.29 0.81 0.85 0.29 -1.33 0.00 0.00 177.39 178.31 1dji n LYS 432 N 0.84 1.20 -0.96 3.23 5.02 -0.54 -0.99 118.16 125.96 1dji n LYS 432 Ca 0.19 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1dji n LYS 432 Cb 0.62 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1dji n LYS 432 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dji n GLY 433 N 2.38 0.61 3.88 0.72 0.00 0.18 -4.91 105.19 108.05 1dji n GLY 433 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1dji n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dji s LYS 434 N -0.26 3.08 -0.14 1.61 -0.14 -0.16 -4.72 119.74 119.00 1dji s LYS 434 Ca 0.00 -0.98 0.02 0.00 -1.36 0.00 0.00 55.97 53.65 1dji s LYS 434 Cb 0.00 -2.67 0.01 0.00 -1.68 0.00 0.00 37.83 33.50 1dji s LYS 434 CO 0.00 0.37 -0.19 0.42 -0.76 0.00 0.00 175.35 175.19 1dji s ILE 435 N -2.10 1.89 0.06 2.17 1.01 -0.58 -2.15 121.20 121.51 1dji s ILE 435 Ca 0.34 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 60.20 1dji s ILE 435 Cb -0.08 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1dji s ILE 435 CO 0.27 0.52 -0.17 -1.48 0.00 0.00 0.00 174.94 174.07 1dji s LEU 436 N 1.02 2.69 0.01 2.97 2.34 0.51 -1.52 118.68 126.69 1dji s LEU 436 Ca -0.03 -0.45 -0.10 0.00 0.06 0.00 0.00 54.13 53.61 1dji s LEU 436 Cb -0.15 -1.56 -0.05 0.00 -0.56 0.00 0.00 46.19 43.87 1dji s LEU 436 CO -0.05 0.23 0.33 -0.76 -1.06 0.00 0.00 176.35 175.04 1dji s LEU 437 N -1.69 4.40 -0.08 1.48 1.43 -1.26 -0.63 118.68 122.34 1dji s LEU 437 Ca 0.16 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.05 1dji s LEU 437 Cb -0.11 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1dji s LEU 437 CO 0.07 0.28 -0.20 -0.75 0.23 0.00 0.00 176.35 175.98 1dji s LYS 438 N -1.46 2.48 0.00 1.70 2.36 0.13 -4.20 119.74 120.76 1dji s LYS 438 Ca 0.26 -0.73 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 1dji s LYS 438 Cb -0.14 -1.96 0.00 0.00 -1.05 0.00 0.00 37.83 34.67 1dji s LYS 438 CO 0.14 0.18 0.00 0.41 1.55 0.00 0.00 175.35 177.63 1dji n GLY 439 N 3.46 -1.53 3.75 5.54 0.00 -0.79 -0.96 105.19 114.66 1dji n GLY 439 Ca -0.20 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1dji n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dji s LYS 440 N -1.72 4.49 -0.01 1.61 1.02 -1.26 0.33 119.74 124.21 1dji s LYS 440 Ca 0.00 1.97 0.08 0.00 0.02 0.00 0.00 55.97 58.03 1dji s LYS 440 Cb 0.00 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1dji s LYS 440 CO 0.00 -0.03 -0.24 0.21 -0.92 0.00 0.00 175.35 174.36 1dji s LYS 441 N -1.06 1.95 0.79 1.68 2.20 -1.26 -4.73 119.74 119.30 1dji s LYS 441 Ca 0.49 -0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 1dji s LYS 441 Cb -0.35 -1.91 0.05 0.00 -1.51 0.00 0.00 37.83 34.11 1dji s LYS 441 CO 0.43 0.52 1.02 1.28 -0.36 0.00 0.00 175.35 178.23 1dji n LEU 442 N 2.40 3.49 0.00 5.43 4.77 -1.26 -5.04 117.00 126.79 1dji n LEU 442 Ca -0.16 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1dji n LEU 442 Cb 0.52 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1dji n LEU 442 CO 0.23 -2.07 0.00 1.17 -1.33 0.00 0.00 177.39 175.40 1dji n LYS 487 N -2.53 0.00 -3.61 3.23 3.00 -1.26 -5.11 118.16 111.87 1dji n LYS 487 Ca 0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.21 1dji n LYS 487 Cb 0.50 -0.23 -0.17 0.00 0.00 0.00 0.00 35.03 35.13 1dji n LYS 487 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1dji s LEU 488 N 0.00 0.19 0.61 3.14 2.96 -1.26 -4.92 118.68 119.40 1dji s LEU 488 Ca 0.00 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 1dji s LEU 488 Cb 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.58 1dji s LEU 488 CO 0.00 -0.31 1.24 0.68 -1.32 0.00 0.00 176.35 176.64 1dji s VAL 489 N 2.19 2.43 0.31 1.68 -7.23 -1.26 -4.83 120.40 113.68 1dji s VAL 489 Ca 0.03 0.27 0.04 0.00 -1.81 0.00 0.00 61.98 60.52 1dji s VAL 489 Cb -0.15 -3.11 0.09 0.00 0.56 0.00 0.00 36.38 33.77 1dji s VAL 489 CO -0.08 -0.05 1.77 -0.65 -0.31 0.00 0.00 175.10 175.78 1dji h PRO 490 N 0.82 0.41 -0.64 4.82 0.11 -1.99 -1.12 132.00 134.41 1dji h PRO 490 Ca -0.51 -0.14 0.12 0.00 0.11 0.00 0.00 66.00 65.59 1dji h PRO 490 Cb 1.31 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1dji h PRO 490 CO 0.55 0.61 0.15 0.93 -0.21 0.00 0.00 178.00 180.03 1dji h GLU 491 N 0.37 0.27 0.08 1.05 3.07 -1.96 0.53 114.58 117.99 1dji h GLU 491 Ca 0.06 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1dji h GLU 491 Cb 0.60 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1dji h GLU 491 CO 0.04 0.18 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.72 1dji h LEU 492 N 0.28 -0.09 -1.04 1.33 3.38 -1.82 -3.32 115.31 114.02 1dji h LEU 492 Ca 0.34 -0.40 0.26 0.00 0.09 0.00 0.00 57.88 58.17 1dji h LEU 492 Cb 0.52 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1dji h LEU 492 CO -0.42 0.56 0.60 -1.28 0.09 0.00 0.00 178.44 177.99 1dji h SER 493 N -0.96 0.63 0.85 -0.43 0.87 -0.85 0.19 113.55 113.85 1dji h SER 493 Ca -0.01 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1dji h SER 493 Cb 0.48 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1dji h SER 493 CO 0.02 0.07 0.00 0.47 -0.53 0.00 0.00 176.83 176.86 1dji n ASP 494 N -4.88 0.37 0.00 6.23 8.00 0.18 -2.35 116.55 124.10 1dji n ASP 494 Ca 0.27 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.47 1dji n ASP 494 Cb 0.79 -0.65 0.42 0.00 -0.02 0.00 0.00 41.12 41.66 1dji n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1dji n MET 495 N -1.88 0.00 -2.75 -1.24 2.81 0.66 -4.73 117.12 110.00 1dji n MET 495 Ca 0.04 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.50 1dji n MET 495 Cb 0.27 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 1dji n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1dji s ILE 496 N -3.00 4.46 -0.03 2.02 -1.09 -0.99 -4.51 121.20 118.05 1dji s ILE 496 Ca 0.12 1.10 -0.08 0.00 -2.23 0.00 0.00 60.65 59.57 1dji s ILE 496 Cb 0.18 -4.43 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1dji s ILE 496 CO 0.62 -0.73 -0.15 -0.38 -1.23 0.00 0.00 174.94 173.07 1dji n ILE 497 N 6.30 1.18 0.61 2.92 2.08 -1.26 -4.88 119.36 126.32 1dji n ILE 497 Ca 0.08 0.27 0.07 0.00 0.56 0.00 0.00 62.75 63.74 1dji n ILE 497 Cb 0.48 -1.86 0.03 0.00 -0.75 0.00 0.00 39.64 37.54 1dji n ILE 497 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1dji n TYR 498 N -3.77 0.00 -3.29 1.39 4.01 -1.26 -4.76 117.16 109.49 1dji n TYR 498 Ca -0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 1dji n TYR 498 Cb 0.22 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.18 1dji n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dji s LYS 500 N -1.96 4.24 0.19 0.00 2.20 -0.60 -1.89 119.74 121.92 1dji s LYS 500 Ca 0.38 1.33 -0.32 0.00 -0.36 0.00 0.00 55.97 57.01 1dji s LYS 500 Cb 0.17 -3.65 -0.11 0.00 -1.51 0.00 0.00 37.83 32.73 1dji s LYS 500 CO -0.06 -0.66 1.73 0.45 -0.36 0.00 0.00 175.35 176.45 1dji s SER 501 N 1.26 6.41 0.04 1.43 0.15 0.15 -1.02 113.70 122.12 1dji s SER 501 Ca 0.44 2.82 -0.03 0.00 0.70 0.00 0.00 55.95 59.88 1dji s SER 501 Cb -0.15 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1dji s SER 501 CO 0.07 -0.96 0.04 -0.69 1.20 0.00 0.00 173.24 172.89 1dji s VAL 502 N 1.49 0.15 0.11 4.45 1.01 -0.55 -4.65 120.40 122.40 1dji s VAL 502 Ca 0.76 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1dji s VAL 502 Cb -0.48 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1dji s VAL 502 CO 0.33 -0.66 0.64 -1.00 0.00 0.00 0.00 175.10 174.41 1dji s HIS 503 N -2.59 3.84 0.01 5.22 3.76 -1.26 -4.13 115.29 120.14 1dji s HIS 503 Ca -0.05 1.40 -0.30 0.00 -0.15 0.00 0.00 55.06 55.96 1dji s HIS 503 Cb -0.01 -2.60 -0.09 0.00 1.11 0.00 0.00 32.58 30.99 1dji s HIS 503 CO -0.05 0.56 2.01 0.34 -0.85 0.00 0.00 174.74 176.75 1dji n PHE 504 N 1.69 2.45 0.00 1.40 7.35 -1.26 -4.87 117.46 124.21 1dji n PHE 504 Ca -0.09 -0.35 0.00 0.00 -0.76 0.00 0.00 57.45 56.25 1dji n PHE 504 Cb 0.50 -2.80 0.00 0.00 0.35 0.00 0.00 39.48 37.53 1dji n PHE 504 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dji n GLY 505 N 4.70 0.95 0.00 7.13 0.00 -1.26 -5.09 105.19 111.61 1dji n GLY 505 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1dji n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLY 506 N 2.32 -0.92 3.90 -0.02 0.00 -1.26 -5.08 105.19 104.13 1dji n GLY 506 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1dji n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dji s PHE 507 N -2.00 3.49 0.00 1.61 0.08 -1.26 -3.56 117.98 116.34 1dji s PHE 507 Ca 0.00 0.49 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1dji s PHE 507 Cb 0.00 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 1dji s PHE 507 CO 0.00 0.47 0.00 -1.13 -0.10 0.00 0.00 175.22 174.46 1dji n SER 508 N 0.14 0.00 0.00 1.36 3.41 -1.26 -4.70 113.62 112.57 1dji n SER 508 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1dji n SER 508 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1dji n SER 508 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1dji n SER 509 N 0.00 0.00 -2.85 4.04 2.88 -1.26 -4.99 113.62 111.44 1dji n SER 509 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1dji n SER 509 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1dji n SER 509 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1dji n PRO 510 N 0.00 -0.51 -1.35 -1.46 -0.04 -1.26 -4.81 135.00 125.56 1dji n PRO 510 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1dji n PRO 510 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1dji n PRO 510 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dji n GLY 511 N 2.20 4.14 1.84 0.55 0.00 -1.26 -4.76 105.19 107.90 1dji n GLY 511 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1dji n GLY 511 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dji n THR 512 N 3.01 0.00 0.00 2.61 -2.24 -1.26 -5.05 114.28 111.35 1dji n THR 512 Ca 0.69 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1dji n THR 512 Cb 0.38 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1dji n THR 512 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1dji n SER 513 N -1.87 0.00 -4.52 3.42 7.64 -1.26 -3.92 113.62 113.11 1dji n SER 513 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 1dji n SER 513 Cb 0.34 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 1dji n SER 513 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dji n GLY 514 N -0.50 -0.34 0.00 0.23 0.00 -1.23 -4.56 105.19 98.78 1dji n GLY 514 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1dji n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLN 515 N 7.91 0.00 -2.31 1.61 10.64 -1.25 -4.84 117.38 129.13 1dji n GLN 515 Ca 0.40 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 55.25 1dji n GLN 515 Cb 0.45 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.80 1dji n GLN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1dji s ALA 516 N 0.00 2.98 0.55 2.61 0.00 -1.26 -4.90 121.76 121.74 1dji s ALA 516 Ca 0.00 0.24 0.27 0.00 0.00 0.00 0.00 51.96 52.47 1dji s ALA 516 Cb 0.00 -3.15 1.45 0.00 0.00 0.00 0.00 23.12 21.42 1dji s ALA 516 CO 0.00 -0.38 1.97 0.27 0.00 0.00 0.00 175.76 177.62 1dji h PHE 517 N 0.80 0.00 -0.54 0.00 -5.15 -1.90 0.61 116.94 110.76 1dji h PHE 517 Ca -0.47 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.19 1dji h PHE 517 Cb 1.19 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.30 1dji h PHE 517 CO 0.62 0.00 0.15 2.48 -2.00 0.00 0.00 178.31 179.56 1dji n TYR 518 N -4.18 1.82 -5.00 6.09 0.18 -1.26 -4.64 117.16 110.17 1dji n TYR 518 Ca 0.10 -0.84 -0.32 0.00 1.88 0.00 0.00 57.90 58.72 1dji n TYR 518 Cb 0.65 -0.53 -0.15 0.00 -0.38 0.00 0.00 39.34 38.93 1dji n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1dji s GLU 519 N -2.40 2.85 -0.12 -3.48 2.02 0.21 -1.55 118.70 116.22 1dji s GLU 519 Ca 0.42 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1dji s GLU 519 Cb 0.33 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1dji s GLU 519 CO 0.11 0.38 -0.19 1.41 0.02 0.00 0.00 175.26 176.99 1dji s MET 520 N -0.12 2.70 0.09 1.61 1.75 -0.19 -4.45 119.30 120.70 1dji s MET 520 Ca -0.03 -0.74 0.03 0.00 -1.25 0.00 0.00 55.69 53.70 1dji s MET 520 Cb -0.14 -2.20 -0.04 0.00 2.84 0.00 0.00 34.83 35.29 1dji s MET 520 CO 0.04 -0.02 0.11 0.00 -0.65 0.00 0.00 175.02 174.50 1dji s ALA 521 N 0.84 3.63 0.18 4.11 0.00 -1.25 -1.48 121.76 127.80 1dji s ALA 521 Ca -0.08 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 50.96 1dji s ALA 521 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1dji s ALA 521 CO -0.01 0.72 -0.16 -1.12 0.00 0.00 0.00 175.76 175.19 1dji s SER 522 N -2.52 3.90 -0.04 0.00 0.01 -1.26 -1.52 113.70 112.28 1dji s SER 522 Ca 0.30 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 1dji s SER 522 Cb -0.12 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.60 1dji s SER 522 CO 0.23 0.12 0.09 -0.36 0.41 0.00 0.00 173.24 173.73 1dji s PHE 523 N -1.63 -0.10 0.83 2.43 0.40 0.12 -4.75 117.98 115.27 1dji s PHE 523 Ca 0.23 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1dji s PHE 523 Cb -0.09 0.01 0.09 0.00 0.51 0.00 0.00 43.02 43.54 1dji s PHE 523 CO 0.13 -0.06 1.09 -1.54 0.70 0.00 0.00 175.22 175.53 1dji s SER 524 N 0.23 4.13 0.17 1.36 1.04 -1.26 -1.72 113.70 117.64 1dji s SER 524 Ca -0.02 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 57.76 1dji s SER 524 Cb -0.03 -2.26 0.09 0.00 0.10 0.00 0.00 66.02 63.93 1dji s SER 524 CO -0.01 -2.23 1.63 -0.08 0.98 0.00 0.00 173.24 173.53 1dji h GLU 525 N -1.27 -0.14 0.06 4.02 4.81 -1.33 0.05 114.58 120.78 1dji h GLU 525 Ca -0.47 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1dji h GLU 525 Cb 1.26 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1dji h GLU 525 CO 0.55 -0.09 -0.22 0.77 -0.73 0.00 0.00 179.01 179.28 1dji h SER 526 N -0.15 -0.63 -0.59 1.04 0.02 -1.90 -1.03 113.55 110.30 1dji h SER 526 Ca 0.19 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1dji h SER 526 Cb 0.45 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1dji h SER 526 CO -0.48 -0.30 0.19 -0.09 -1.14 0.00 0.00 176.83 175.01 1dji h ARG 527 N -0.39 0.95 -0.28 3.45 2.43 -1.78 -2.14 114.38 116.63 1dji h ARG 527 Ca 0.04 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1dji h ARG 527 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1dji h ARG 527 CO -0.16 0.82 0.09 0.00 -1.51 0.00 0.00 179.97 179.21 1dji h ALA 528 N 1.29 0.36 -0.24 2.80 0.00 -0.63 0.00 119.26 122.84 1dji h ALA 528 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1dji h ALA 528 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1dji h ALA 528 CO -0.01 -0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 179.13 1dji h LEU 529 N 0.29 -0.17 0.22 0.00 3.38 -0.90 0.22 115.31 118.35 1dji h LEU 529 Ca 0.09 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1dji h LEU 529 Cb 0.23 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1dji h LEU 529 CO -0.00 -0.05 -0.29 -0.09 0.09 0.00 0.00 178.44 178.09 1dji h ARG 530 N 0.03 -0.55 -0.63 1.13 2.43 -1.23 0.64 114.38 116.21 1dji h ARG 530 Ca 0.12 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.45 1dji h ARG 530 Cb 0.17 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1dji h ARG 530 CO -0.23 -0.37 0.42 -0.07 -1.51 0.00 0.00 179.97 178.22 1dji h LEU 531 N -0.57 0.30 -0.20 3.80 3.38 -0.57 0.11 115.31 121.57 1dji h LEU 531 Ca 0.00 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1dji h LEU 531 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1dji h LEU 531 CO -0.10 0.17 -0.92 -0.07 0.09 0.00 0.00 178.44 177.61 1dji h LEU 532 N 0.33 0.53 -0.30 1.67 3.38 0.12 0.48 115.31 121.52 1dji h LEU 532 Ca 0.30 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1dji h LEU 532 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1dji h LEU 532 CO -0.08 1.21 0.02 -0.61 0.09 0.00 0.00 178.44 179.08 1dji h GLN 533 N 0.24 0.51 0.09 1.13 5.75 0.15 -2.78 115.11 120.20 1dji h GLN 533 Ca -0.07 -0.15 -0.35 0.00 -0.15 0.00 0.00 58.65 57.92 1dji h GLN 533 Cb 1.55 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 30.02 1dji h GLN 533 CO 0.16 0.64 -1.99 0.39 -2.65 0.00 0.00 178.83 175.38 1dji n GLU 534 N -4.60 0.73 -2.56 1.69 1.02 0.26 -4.62 120.64 112.56 1dji n GLU 534 Ca -0.03 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 1dji n GLU 534 Cb 0.24 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1dji n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1dji n SER 535 N -3.37 2.84 -0.20 1.62 7.64 0.17 -4.94 113.62 117.38 1dji n SER 535 Ca -0.30 -3.02 -0.06 0.00 1.01 0.00 0.00 58.87 56.50 1dji n SER 535 Cb 1.05 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 1dji n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dji h GLY 536 N 2.71 -0.21 1.52 0.23 0.00 -1.38 0.16 103.07 106.11 1dji h GLY 536 Ca 0.07 0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.78 1dji h GLY 536 CO 0.58 -0.20 -0.16 -0.57 0.00 0.00 0.00 176.54 176.20 1dji h ASN 537 N -0.18 0.56 -0.18 0.19 -0.73 -1.87 0.20 115.58 113.56 1dji h ASN 537 Ca 0.22 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1dji h ASN 537 Cb 0.56 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1dji h ASN 537 CO -0.68 0.73 0.07 1.23 -0.37 0.00 0.00 177.43 178.41 1dji h GLY 538 N 0.97 0.29 0.93 1.57 0.00 -1.43 0.46 103.07 105.86 1dji h GLY 538 Ca 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1dji h GLY 538 CO 0.04 0.15 0.04 -2.75 0.00 0.00 0.00 176.54 174.01 1dji h PHE 539 N 0.14 0.07 -0.04 5.60 3.04 -0.47 0.21 116.94 125.48 1dji h PHE 539 Ca 0.06 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.05 1dji h PHE 539 Cb 0.17 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 1dji h PHE 539 CO -0.01 0.04 -0.33 0.28 -2.02 0.00 0.00 178.31 176.27 1dji h VAL 540 N 0.09 0.29 -1.00 1.41 2.07 -0.73 0.58 116.25 118.96 1dji h VAL 540 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1dji h VAL 540 Cb 0.02 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1dji h VAL 540 CO -0.04 0.00 0.65 0.03 0.02 0.00 0.00 177.57 178.23 1dji h ARG 541 N -0.46 1.22 -0.48 1.57 3.08 -0.66 -1.40 114.38 117.25 1dji h ARG 541 Ca 0.07 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1dji h ARG 541 Cb 0.56 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1dji h ARG 541 CO -0.29 0.80 0.25 1.25 -1.07 0.00 0.00 179.97 180.91 1dji h HIS 542 N 1.25 0.45 0.00 3.04 2.76 0.48 -2.36 115.15 120.77 1dji h HIS 542 Ca 0.40 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1dji h HIS 542 Cb 0.02 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1dji h HIS 542 CO -0.00 0.23 0.00 0.09 -1.30 0.00 0.00 177.93 176.95 1dji n ASN 543 N -4.89 0.00 -0.12 3.26 5.03 0.09 -1.94 115.26 116.69 1dji n ASN 543 Ca 0.04 0.28 -0.11 0.00 0.87 0.00 0.00 54.58 55.66 1dji n ASN 543 Cb 0.12 -0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.47 1dji n ASN 543 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1dji h VAL 544 N 0.00 1.28 -0.00 2.41 2.07 -1.24 -3.31 116.25 117.46 1dji h VAL 544 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1dji h VAL 544 Cb 0.15 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1dji h VAL 544 CO 0.00 0.39 -0.15 -1.54 0.02 0.00 0.00 177.57 176.29 1dji n SER 545 N -4.38 0.96 -4.22 0.57 3.41 -1.16 -4.40 113.62 104.39 1dji n SER 545 Ca -0.02 -0.98 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 1dji n SER 545 Cb 0.36 0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 64.66 1dji n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dji s LEU 547 N -0.76 4.38 -0.04 0.00 1.43 -1.26 -4.21 118.68 118.23 1dji s LEU 547 Ca 0.07 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 1dji s LEU 547 Cb -0.08 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 1dji s LEU 547 CO 0.00 -0.07 -0.20 -0.44 0.23 0.00 0.00 176.35 175.87 1dji s SER 548 N 0.43 2.46 -0.15 2.29 0.01 -1.26 -3.74 113.70 113.74 1dji s SER 548 Ca 0.40 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 1dji s SER 548 Cb -0.19 -0.52 -0.02 0.00 0.21 0.00 0.00 66.02 65.49 1dji s SER 548 CO 0.21 0.21 -0.06 -0.60 0.41 0.00 0.00 173.24 173.42 1dji s ARG 549 N -0.21 3.61 0.03 12.44 3.52 -0.57 -1.67 118.95 136.09 1dji s ARG 549 Ca 0.01 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.12 1dji s ARG 549 Cb -0.11 -2.85 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1dji s ARG 549 CO 0.01 0.23 -0.20 0.42 -0.81 0.00 0.00 175.30 174.96 1dji s ILE 550 N 0.36 2.64 0.03 4.11 -1.09 -0.21 0.11 121.20 127.16 1dji s ILE 550 Ca -0.06 -1.17 -0.01 0.00 -2.23 0.00 0.00 60.65 57.18 1dji s ILE 550 Cb -0.15 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 1dji s ILE 550 CO 0.04 0.39 -0.02 -0.72 -1.23 0.00 0.00 174.94 173.40 1dji s TYR 551 N -0.86 0.36 0.43 3.97 1.13 -0.70 -0.92 117.35 120.76 1dji s TYR 551 Ca 0.13 -0.75 -0.25 0.00 -1.41 0.00 0.00 57.07 54.79 1dji s TYR 551 Cb -0.10 -0.27 -0.10 0.00 -1.10 0.00 0.00 41.96 40.39 1dji s TYR 551 CO 0.04 -0.28 1.19 -2.30 -2.51 0.00 0.00 175.55 171.68 1dji n PRO 552 N 0.91 1.73 -1.72 -3.49 -0.02 -1.26 -0.99 135.00 130.15 1dji n PRO 552 Ca -0.19 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1dji n PRO 552 Cb 0.58 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1dji n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dji n ALA 553 N -0.34 1.31 0.17 3.55 0.00 -1.26 -4.67 120.51 119.27 1dji n ALA 553 Ca 0.08 0.10 0.18 0.00 0.00 0.00 0.00 53.44 53.79 1dji n ALA 553 Cb 0.40 -2.31 0.80 0.00 0.00 0.00 0.00 19.45 18.33 1dji n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dji h GLY 554 N 1.18 0.00 2.00 0.00 0.00 -2.03 -0.00 103.07 104.22 1dji h GLY 554 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1dji h GLY 554 CO 0.56 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.43 1dji n TRP 555 N -3.79 0.06 -1.23 5.60 4.27 -1.26 -4.03 117.44 117.06 1dji n TRP 555 Ca 0.03 0.02 -0.24 0.00 -3.89 0.00 0.00 57.50 53.42 1dji n TRP 555 Cb 0.41 -0.53 -0.10 0.00 -1.36 0.00 0.00 31.31 29.72 1dji n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1dji n ARG 556 N -1.55 2.76 0.04 -2.67 1.74 -0.02 -4.51 116.66 112.46 1dji n ARG 556 Ca 0.05 -1.72 0.07 0.00 -0.77 0.00 0.00 57.85 55.48 1dji n ARG 556 Cb 0.24 -2.31 0.31 0.00 -1.02 0.00 0.00 32.46 29.69 1dji n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1dji n THR 557 N 2.56 1.16 1.10 0.55 -2.24 -1.26 -0.60 114.28 115.56 1dji n THR 557 Ca 0.56 0.34 0.10 0.00 -2.27 0.00 0.00 64.05 62.78 1dji n THR 557 Cb 0.62 -1.20 0.34 0.00 -2.10 0.00 0.00 70.33 67.99 1dji n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1dji n ASP 558 N -1.72 1.89 -0.49 3.42 5.75 -1.26 -0.98 116.55 123.16 1dji n ASP 558 Ca 0.02 -1.76 -0.06 0.00 -0.01 0.00 0.00 54.79 52.98 1dji n ASP 558 Cb 0.14 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1dji n ASP 558 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1dji n SER 559 N 0.47 -4.37 -4.56 -1.12 7.64 0.23 -4.65 113.62 107.25 1dji n SER 559 Ca 0.16 0.16 -0.30 0.00 1.01 0.00 0.00 58.87 59.90 1dji n SER 559 Cb 0.36 -2.44 0.21 0.00 -1.01 0.00 0.00 64.21 61.33 1dji n SER 559 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dji n SER 560 N -0.03 -0.77 -4.37 6.43 3.41 -1.26 -4.65 113.62 112.38 1dji n SER 560 Ca -0.06 0.13 -0.24 0.00 -0.26 0.00 0.00 58.87 58.43 1dji n SER 560 Cb 0.31 -1.36 -0.12 0.00 -0.26 0.00 0.00 64.21 62.79 1dji n SER 560 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1dji s ASN 561 N -2.50 3.03 0.64 4.04 0.01 -1.26 -4.78 114.94 114.12 1dji s ASN 561 Ca 0.67 -0.85 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 1dji s ASN 561 Cb -0.24 -0.20 0.10 0.00 0.41 0.00 0.00 41.25 41.32 1dji s ASN 561 CO 0.62 0.05 0.88 -0.72 -1.51 0.00 0.00 177.10 176.41 1dji s TYR 562 N -1.81 1.61 -0.15 2.20 1.13 -1.26 -4.94 117.35 114.13 1dji s TYR 562 Ca 0.18 -0.47 -0.25 0.00 -1.41 0.00 0.00 57.07 55.12 1dji s TYR 562 Cb -0.07 -2.62 -0.02 0.00 -1.10 0.00 0.00 41.96 38.15 1dji s TYR 562 CO 0.08 -1.38 0.79 0.45 -2.51 0.00 0.00 175.55 172.98 1dji s SER 563 N -4.68 6.95 0.20 -0.18 0.15 -1.26 -4.84 113.70 110.04 1dji s SER 563 Ca 0.64 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 58.41 1dji s SER 563 Cb -0.06 -2.44 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 1dji s SER 563 CO 0.41 -0.33 1.56 1.55 1.20 0.00 0.00 173.24 177.63 1dji h PRO 564 N 7.23 0.67 -0.67 5.44 0.13 -1.97 -3.28 132.00 139.54 1dji h PRO 564 Ca -0.32 -0.34 0.14 0.00 -0.87 0.00 0.00 66.00 64.61 1dji h PRO 564 Cb 1.15 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1dji h PRO 564 CO 0.81 0.95 -0.09 0.28 -0.23 0.00 0.00 178.00 179.72 1dji h VAL 565 N 0.55 0.36 -0.41 1.56 2.07 -1.96 0.34 116.25 118.76 1dji h VAL 565 Ca 0.05 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1dji h VAL 565 Cb 0.93 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1dji h VAL 565 CO 0.08 0.01 0.31 1.05 0.02 0.00 0.00 177.57 179.04 1dji h GLU 566 N 0.04 0.00 0.17 1.57 4.11 -1.89 0.42 114.58 119.00 1dji h GLU 566 Ca 0.34 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.43 1dji h GLU 566 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1dji h GLU 566 CO -0.65 0.00 -1.68 0.52 0.07 0.00 0.00 179.01 177.27 1dji h MET 567 N 0.00 0.35 -0.79 1.06 2.86 -0.59 -3.30 114.93 114.52 1dji h MET 567 Ca 0.20 -0.60 0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1dji h MET 567 Cb 0.82 0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1dji h MET 567 CO -0.00 1.25 0.52 -1.49 1.06 0.00 0.00 176.91 178.25 1dji h TRP 568 N 0.10 0.99 0.00 -0.22 6.55 0.20 -0.45 115.95 123.11 1dji h TRP 568 Ca -0.31 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1dji h TRP 568 Cb 2.08 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 30.04 1dji h TRP 568 CO 0.09 0.62 0.07 0.09 -1.05 0.00 0.00 178.44 178.26 1dji n ASN 569 N -4.42 0.51 -0.88 -3.49 3.02 0.02 0.11 115.26 110.13 1dji n ASN 569 Ca 0.09 0.71 0.09 0.00 -0.03 0.00 0.00 54.58 55.44 1dji n ASN 569 Cb 0.03 -0.76 0.18 0.00 -0.61 0.00 0.00 39.78 38.62 1dji n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dji n GLY 570 N -1.29 1.79 2.16 7.41 0.00 -0.24 -4.54 105.19 110.46 1dji n GLY 570 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1dji n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLY 571 N 1.02 0.62 3.69 -0.02 0.00 0.31 -3.57 105.19 107.24 1dji n GLY 571 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1dji n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dji n GLN 573 N 5.19 0.71 -2.96 0.00 0.00 -1.24 -4.32 117.38 114.78 1dji n GLN 573 Ca 0.14 0.21 -0.43 0.00 0.00 0.00 0.00 57.00 56.92 1dji n GLN 573 Cb 0.42 -1.63 0.01 0.00 0.00 0.00 0.00 30.24 29.04 1dji n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1dji n ILE 574 N -3.38 4.99 -2.93 -0.39 5.41 -0.67 -1.35 119.36 121.05 1dji n ILE 574 Ca -0.38 -5.53 -0.44 0.00 1.00 0.00 0.00 62.75 57.40 1dji n ILE 574 Cb 1.02 -2.24 -0.04 0.00 -0.71 0.00 0.00 39.64 37.68 1dji n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1dji s VAL 575 N -1.80 4.53 -0.06 1.39 1.01 -1.26 -1.04 120.40 123.17 1dji s VAL 575 Ca 0.33 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1dji s VAL 575 Cb 0.02 -4.67 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 1dji s VAL 575 CO 0.05 -1.40 0.97 0.00 0.00 0.00 0.00 175.10 174.72 1dji s ALA 576 N 3.41 3.30 0.32 5.51 0.00 -0.09 -4.29 121.76 129.92 1dji s ALA 576 Ca 0.23 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.68 1dji s ALA 576 Cb -0.15 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 1dji s ALA 576 CO 0.04 -0.42 -0.07 -0.51 0.00 0.00 0.00 175.76 174.80 1dji s LEU 577 N 1.53 2.62 -0.80 0.00 1.43 -0.95 -4.18 118.68 118.33 1dji s LEU 577 Ca 0.49 -1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.15 1dji s LEU 577 Cb -0.19 -0.83 0.07 0.00 0.03 0.00 0.00 46.19 45.27 1dji s LEU 577 CO 0.22 -0.28 1.16 0.20 0.23 0.00 0.00 176.35 177.88 1dji s ASN 578 N -3.54 6.32 0.35 2.29 0.01 -1.26 0.19 114.94 119.30 1dji s ASN 578 Ca 0.31 -1.14 0.22 0.00 -0.71 0.00 0.00 52.86 51.54 1dji s ASN 578 Cb 0.03 -2.48 1.21 0.00 0.41 0.00 0.00 41.25 40.43 1dji s ASN 578 CO 0.15 -1.48 1.67 -0.26 -1.51 0.00 0.00 177.10 175.67 1dji h PHE 579 N 9.58 0.00 -0.00 2.20 -1.00 -1.92 -2.31 116.94 123.49 1dji h PHE 579 Ca -0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.67 1dji h PHE 579 Cb 1.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1dji h PHE 579 CO 1.10 0.00 -0.26 0.00 -1.61 0.00 0.00 178.31 177.55 1dji n GLN 580 N -2.30 0.29 -3.63 1.51 0.00 -1.26 -4.83 117.38 107.16 1dji n GLN 580 Ca -0.01 -0.13 -0.39 0.00 0.00 0.00 0.00 57.00 56.47 1dji n GLN 580 Cb 0.08 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.71 1dji n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1dji s THR 581 N -2.80 4.57 0.47 -0.39 2.01 -0.87 -4.97 115.64 113.66 1dji s THR 581 Ca 0.18 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1dji s THR 581 Cb 0.19 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 1dji s THR 581 CO 0.58 -0.07 1.32 -2.84 -0.69 0.00 0.00 174.62 172.92 1dji s PRO 582 N 1.58 3.59 0.00 4.92 0.02 -1.26 -4.68 135.00 139.17 1dji s PRO 582 Ca 0.03 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.21 1dji s PRO 582 Cb -0.18 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.84 1dji s PRO 582 CO 0.06 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1dji n GLY 583 N 0.63 1.46 0.25 0.52 0.00 -1.26 -4.96 105.19 101.82 1dji n GLY 583 Ca 0.07 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 45.09 1dji n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dji h PRO 584 N 0.00 0.00 -0.07 1.61 0.11 -1.98 -1.30 132.00 130.37 1dji h PRO 584 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1dji h PRO 584 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1dji h PRO 584 CO 0.00 0.06 0.02 0.93 -0.21 0.00 0.00 178.00 178.80 1dji h GLU 585 N 0.00 0.11 -0.05 1.05 3.07 -1.92 0.89 114.58 117.73 1dji h GLU 585 Ca -0.00 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.69 1dji h GLU 585 Cb 0.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1dji h GLU 585 CO 0.01 0.29 -0.59 0.52 -1.40 0.00 0.00 179.01 177.83 1dji h MET 586 N -0.08 0.17 0.36 2.33 2.86 -1.74 -0.55 114.93 118.27 1dji h MET 586 Ca 0.02 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1dji h MET 586 Cb 0.23 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1dji h MET 586 CO -0.00 0.72 -0.29 -0.44 1.06 0.00 0.00 176.91 177.95 1dji h ASP 587 N 0.13 -0.77 -0.82 1.22 3.32 -1.04 0.25 116.42 118.71 1dji h ASP 587 Ca -0.01 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1dji h ASP 587 Cb 1.08 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.83 1dji h ASP 587 CO 0.09 -0.43 0.52 0.58 -1.72 0.00 0.00 179.24 178.27 1dji h VAL 588 N -0.66 1.10 0.30 -1.35 2.07 -0.72 -0.38 116.25 116.61 1dji h VAL 588 Ca -0.03 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1dji h VAL 588 Cb 0.58 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1dji h VAL 588 CO -0.02 0.18 -0.26 0.22 0.02 0.00 0.00 177.57 177.71 1dji h TYR 589 N 0.99 -0.69 0.00 1.57 3.20 -0.33 -0.45 116.97 121.26 1dji h TYR 589 Ca 0.34 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 1dji h TYR 589 Cb 0.06 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1dji h TYR 589 CO -0.03 -0.38 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.90 1dji h LEU 590 N -0.57 0.00 -0.07 2.82 3.38 -0.37 -2.01 115.31 118.48 1dji h LEU 590 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1dji h LEU 590 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1dji h LEU 590 CO -0.03 0.14 -0.04 1.23 0.09 0.00 0.00 178.44 179.83 1dji h GLY 591 N 2.09 0.17 0.41 0.83 0.00 -0.68 0.73 103.07 106.61 1dji h GLY 591 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.25 1dji h GLY 591 CO 0.02 0.15 0.11 0.00 0.00 0.00 0.00 176.54 176.81 1dji n PHE 593 N -5.10 0.04 0.20 0.00 3.72 -0.78 -2.67 117.46 112.88 1dji n PHE 593 Ca 0.05 -0.02 0.10 0.00 -0.05 0.00 0.00 57.45 57.53 1dji n PHE 593 Cb 0.23 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.97 1dji n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1dji h GLN 594 N 0.93 0.00 -7.23 -1.08 5.75 -0.16 -3.29 115.11 110.02 1dji h GLN 594 Ca 0.00 0.00 -0.48 0.00 -0.15 0.00 0.00 58.65 58.02 1dji h GLN 594 Cb 0.20 0.00 0.19 0.00 1.07 0.00 0.00 27.48 28.94 1dji h GLN 594 CO 0.00 0.15 0.14 0.34 -2.65 0.00 0.00 178.83 176.81 1dji s ASP 595 N -6.23 2.19 -1.50 -0.69 -1.08 -1.09 -2.54 116.67 105.74 1dji s ASP 595 Ca 0.05 1.76 -0.06 0.00 -0.52 0.00 0.00 52.55 53.78 1dji s ASP 595 Cb 0.06 -2.38 0.05 0.00 -1.46 0.00 0.00 42.92 39.20 1dji s ASP 595 CO 0.68 -3.48 0.55 -3.20 0.52 0.00 0.00 175.17 170.23 1dji n ASN 596 N -4.46 -1.39 -0.67 -0.34 5.15 -0.85 -0.91 115.26 111.78 1dji n ASN 596 Ca 0.07 -1.00 -0.09 0.00 -0.60 0.00 0.00 54.58 52.96 1dji n ASN 596 Cb 0.54 -3.00 -0.04 0.00 -0.53 0.00 0.00 39.78 36.75 1dji n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dji n GLY 597 N -1.82 0.94 2.41 8.20 0.00 -0.75 -2.36 105.19 111.81 1dji n GLY 597 Ca -0.18 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1dji n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLY 598 N -0.53 -0.39 0.00 -0.02 0.00 -0.09 -4.66 105.19 99.50 1dji n GLY 598 Ca -0.09 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1dji n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dji n GLY 600 N 1.06 0.65 2.97 0.00 0.00 -1.26 -4.61 105.19 104.00 1dji n GLY 600 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1dji n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dji s TYR 601 N -2.30 1.88 -0.19 1.61 1.51 -1.26 -1.42 117.35 117.19 1dji s TYR 601 Ca 0.00 -1.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.06 1dji s TYR 601 Cb 0.00 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1dji s TYR 601 CO 0.00 -0.60 -0.15 0.08 -1.11 0.00 0.00 175.55 173.77 1dji s VAL 602 N 1.56 1.85 0.20 0.71 1.01 -0.47 -4.91 120.40 120.35 1dji s VAL 602 Ca 0.05 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 60.74 1dji s VAL 602 Cb -0.13 -1.78 -0.12 0.00 0.00 0.00 0.00 36.38 34.35 1dji s VAL 602 CO -0.09 0.36 1.72 -0.11 0.00 0.00 0.00 175.10 176.98 1dji n LEU 603 N 4.65 3.91 -4.79 3.92 7.94 -1.26 0.41 117.00 131.77 1dji n LEU 603 Ca -0.18 1.06 -0.32 0.00 -1.11 0.00 0.00 56.01 55.46 1dji n LEU 603 Cb 0.48 -1.56 0.06 0.00 0.53 0.00 0.00 43.42 42.94 1dji n LEU 603 CO 0.23 0.13 0.71 -0.54 -1.11 0.00 0.00 177.39 176.81 1dji s LYS 604 N 1.29 2.71 0.82 1.96 1.02 0.59 -4.86 119.74 123.27 1dji s LYS 604 Ca 0.76 1.13 -0.14 0.00 0.02 0.00 0.00 55.97 57.75 1dji s LYS 604 Cb -0.52 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 1dji s LYS 604 CO 0.33 -1.29 0.97 -2.30 -0.92 0.00 0.00 175.35 172.14 1dji n PRO 605 N -3.02 0.12 -0.06 -1.68 -0.02 -1.26 -4.82 135.00 124.25 1dji n PRO 605 Ca 0.09 0.11 -0.08 0.00 -2.02 0.00 0.00 63.50 61.59 1dji n PRO 605 Cb 0.53 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1dji n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dji h ALA 606 N -0.93 0.28 0.00 3.55 0.00 -1.97 -1.44 119.26 118.74 1dji h ALA 606 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1dji h ALA 606 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1dji h ALA 606 CO 0.43 -0.35 0.12 0.27 0.00 0.00 0.00 179.25 179.73 1dji h PHE 607 N 0.18 0.00 -0.42 0.00 -0.00 -1.96 0.73 116.94 115.47 1dji h PHE 607 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.08 1dji h PHE 607 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.05 1dji h PHE 607 CO -0.14 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.45 1dji n LEU 608 N -2.44 3.36 -0.18 2.10 4.77 -0.55 -3.56 117.00 120.49 1dji n LEU 608 Ca -0.02 -1.49 0.02 0.00 -0.03 0.00 0.00 56.01 54.49 1dji n LEU 608 Cb 0.16 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1dji n LEU 608 CO 0.11 0.74 0.48 0.54 -1.33 0.00 0.00 177.39 177.93 1dji n ARG 609 N 1.41 2.07 -3.39 3.23 1.74 0.25 -4.56 116.66 117.40 1dji n ARG 609 Ca 0.20 -1.43 -0.44 0.00 -0.77 0.00 0.00 57.85 55.41 1dji n ARG 609 Cb 0.58 -1.08 -0.08 0.00 -1.02 0.00 0.00 32.46 30.86 1dji n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1dji s ASP 610 N -0.82 6.14 0.00 0.55 2.15 -0.90 -4.92 116.67 118.88 1dji s ASP 610 Ca 0.06 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 51.80 1dji s ASP 610 Cb 0.04 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1dji s ASP 610 CO 0.05 -0.62 0.67 -0.81 -0.17 0.00 0.00 175.17 174.29 1dji n PRO 611 N 5.22 0.00 -0.03 4.34 -0.04 -1.26 -0.73 135.00 142.50 1dji n PRO 611 Ca -0.12 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1dji n PRO 611 Cb 0.44 -1.59 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1dji n PRO 611 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1dji n ASN 612 N -1.17 2.03 -4.71 3.54 3.02 -1.26 -4.94 115.26 111.77 1dji n ASN 612 Ca 0.00 -2.34 -0.34 0.00 -0.03 0.00 0.00 54.58 51.87 1dji n ASN 612 Cb 0.09 -0.15 0.11 0.00 -0.61 0.00 0.00 39.78 39.23 1dji n ASN 612 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dji s THR 613 N -1.59 2.08 -0.35 3.41 2.01 0.09 -4.88 115.64 116.41 1dji s THR 613 Ca 0.11 0.04 0.15 0.00 0.31 0.00 0.00 61.69 62.30 1dji s THR 613 Cb 0.09 -2.56 0.48 0.00 0.01 0.00 0.00 72.50 70.53 1dji s THR 613 CO 0.01 -0.02 1.38 0.35 -0.69 0.00 0.00 174.62 175.65 1dji n THR 614 N -3.01 1.99 -2.09 -0.82 -2.24 -1.26 -4.93 114.28 101.92 1dji n THR 614 Ca 0.14 -1.68 -0.38 0.00 -2.27 0.00 0.00 64.05 59.86 1dji n THR 614 Cb 0.50 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1dji n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1dji s PHE 615 N -2.40 2.70 -0.30 4.78 5.36 -1.26 -4.87 117.98 121.98 1dji s PHE 615 Ca 0.38 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.84 1dji s PHE 615 Cb 0.29 -3.55 0.20 0.00 -0.34 0.00 0.00 43.02 39.62 1dji s PHE 615 CO 0.10 -2.00 0.69 1.21 -1.46 0.00 0.00 175.22 173.77 1dji s ASN 616 N -1.13 -1.36 0.62 6.13 3.84 -1.26 -4.26 114.94 117.51 1dji s ASN 616 Ca 0.65 0.08 0.26 0.00 0.21 0.00 0.00 52.86 54.05 1dji s ASN 616 Cb -0.34 1.85 1.22 0.00 -0.55 0.00 0.00 41.25 43.43 1dji s ASN 616 CO 0.41 -0.24 1.66 0.77 -2.79 0.00 0.00 177.10 176.91 1dji h SER 617 N 7.72 0.00 1.19 -4.21 4.64 -1.95 0.49 113.55 121.44 1dji h SER 617 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1dji h SER 617 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1dji h SER 617 CO 0.09 0.00 -0.85 0.03 -0.87 0.00 0.00 176.83 175.23 1dji h ARG 618 N 0.00 0.00 -2.36 4.77 2.47 -1.93 -3.39 114.38 113.94 1dji h ARG 618 Ca 0.23 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.36 1dji h ARG 618 Cb 1.63 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.56 1dji h ARG 618 CO -0.00 0.37 -0.94 0.00 0.56 0.00 0.00 179.97 179.96 1dji n ALA 619 N -2.28 2.88 -2.20 0.04 0.00 0.17 -5.10 120.51 114.02 1dji n ALA 619 Ca -0.02 -3.40 -0.42 0.00 0.00 0.00 0.00 53.44 49.59 1dji n ALA 619 Cb 0.75 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 1dji n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dji s LEU 620 N -0.50 4.37 0.47 0.00 1.43 -1.12 -4.37 118.68 118.97 1dji s LEU 620 Ca 0.33 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.73 1dji s LEU 620 Cb 0.06 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1dji s LEU 620 CO -0.17 -0.64 0.07 0.42 0.23 0.00 0.00 176.35 176.26 1dji s THR 621 N 1.19 0.84 0.37 5.49 -4.23 -1.26 -5.09 115.64 112.95 1dji s THR 621 Ca 0.64 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.88 1dji s THR 621 Cb -0.36 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 1dji s THR 621 CO 0.30 0.00 1.20 -1.58 -0.54 0.00 0.00 174.62 174.00 1dji s GLN 622 N -3.79 4.20 0.00 3.99 2.00 -1.26 -4.75 119.66 120.05 1dji s GLN 622 Ca 0.13 1.95 0.00 0.00 -2.00 0.00 0.00 55.36 55.44 1dji s GLN 622 Cb 0.01 -2.85 0.00 0.00 0.80 0.00 0.00 33.01 30.97 1dji s GLN 622 CO 0.08 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 1dji n GLY 623 N 0.76 1.17 0.44 2.59 0.00 -1.26 -4.99 105.19 103.89 1dji n GLY 623 Ca 0.02 -0.88 0.22 0.00 0.00 0.00 0.00 46.02 45.38 1dji n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dji h PRO 624 N 0.00 0.00 0.00 1.61 0.14 -2.03 0.58 132.00 132.31 1dji h PRO 624 Ca 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 66.10 1dji h PRO 624 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 1dji h PRO 624 CO 0.00 0.00 -0.19 0.11 0.14 0.00 0.00 178.00 178.06 1dji h TRP 625 N 0.00 0.00 -3.47 1.56 0.09 -1.94 -3.41 115.95 108.78 1dji h TRP 625 Ca 0.29 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 58.70 1dji h TRP 625 Cb 1.84 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 30.99 1dji h TRP 625 CO 0.00 0.19 0.86 -0.46 0.09 0.00 0.00 178.44 179.12 1dji s TRP 626 N -3.31 2.75 -0.47 0.12 -0.11 0.20 -4.25 118.94 113.88 1dji s TRP 626 Ca 0.04 0.48 0.06 0.00 1.22 0.00 0.00 56.10 57.90 1dji s TRP 626 Cb 0.07 -4.36 0.25 0.00 -1.50 0.00 0.00 33.47 27.93 1dji s TRP 626 CO 0.66 -1.37 0.83 0.54 -4.62 0.00 0.00 176.95 172.99 1dji n ARG 627 N 7.92 0.78 -1.58 5.86 1.74 0.30 -4.81 116.66 126.87 1dji n ARG 627 Ca 0.09 -2.05 -0.46 0.00 -0.77 0.00 0.00 57.85 54.66 1dji n ARG 627 Cb 0.49 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1dji n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1dji n PRO 628 N 1.52 1.26 -4.15 5.56 -0.02 -1.22 -4.57 135.00 133.38 1dji n PRO 628 Ca 0.11 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.87 1dji n PRO 628 Cb 0.61 -1.86 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1dji n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dji s GLU 629 N -1.06 0.71 -0.31 -0.52 0.41 0.03 -4.68 118.70 113.28 1dji s GLU 629 Ca 0.64 -0.82 -0.09 0.00 -0.41 0.00 0.00 54.97 54.30 1dji s GLU 629 Cb -0.76 -0.62 0.00 0.00 -1.78 0.00 0.00 34.13 30.97 1dji s GLU 629 CO 0.57 0.14 0.13 0.50 -0.49 0.00 0.00 175.26 176.10 1dji s ARG 630 N -1.52 3.17 -0.22 1.61 3.52 0.33 -1.63 118.95 124.20 1dji s ARG 630 Ca -0.04 -0.82 -0.07 0.00 -0.13 0.00 0.00 55.73 54.66 1dji s ARG 630 Cb -0.09 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1dji s ARG 630 CO 0.01 -0.46 0.05 -1.17 -0.81 0.00 0.00 175.30 172.92 1dji s LEU 631 N 1.56 3.49 -0.17 -0.88 2.96 0.39 -1.04 118.68 124.99 1dji s LEU 631 Ca 0.03 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1dji s LEU 631 Cb -0.17 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1dji s LEU 631 CO 0.05 0.04 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.88 1dji s ARG 632 N 1.17 3.32 -0.12 1.98 0.52 0.96 -0.68 118.95 126.10 1dji s ARG 632 Ca 0.04 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1dji s ARG 632 Cb -0.14 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.57 1dji s ARG 632 CO 0.03 -0.01 -0.17 0.08 0.02 0.00 0.00 175.30 175.25 1dji s VAL 633 N 0.93 1.67 -0.24 3.52 1.01 0.21 -0.76 120.40 126.73 1dji s VAL 633 Ca -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1dji s VAL 633 Cb -0.15 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 1dji s VAL 633 CO -0.01 0.47 -0.00 -0.60 0.00 0.00 0.00 175.10 174.97 1dji s ARG 634 N 0.97 3.31 -0.70 2.72 3.52 -0.32 -0.38 118.95 128.07 1dji s ARG 634 Ca -0.06 -0.68 -0.22 0.00 -0.13 0.00 0.00 55.73 54.64 1dji s ARG 634 Cb -0.15 -3.12 0.07 0.00 -1.56 0.00 0.00 34.95 30.19 1dji s ARG 634 CO -0.02 -0.26 1.01 0.42 -0.81 0.00 0.00 175.30 175.63 1dji s ILE 635 N 1.49 4.33 -0.02 4.11 -1.09 0.27 -2.07 121.20 128.23 1dji s ILE 635 Ca 0.05 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 1dji s ILE 635 Cb -0.15 -4.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.01 1dji s ILE 635 CO -0.01 -1.49 0.11 0.40 -1.23 0.00 0.00 174.94 172.72 1dji h ILE 636 N 5.98 0.00 -4.01 2.92 2.04 -1.62 0.33 117.51 123.15 1dji h ILE 636 Ca -0.23 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.23 1dji h ILE 636 Cb 1.06 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.04 1dji h ILE 636 CO 1.18 0.00 -0.25 -0.94 0.00 0.00 0.00 178.15 178.15 1dji s SER 637 N -3.55 0.32 0.04 1.72 1.04 -1.13 0.11 113.70 112.25 1dji s SER 637 Ca -0.01 -1.22 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1dji s SER 637 Cb 0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1dji s SER 637 CO 0.02 -1.14 -0.17 -0.83 0.98 0.00 0.00 173.24 172.10 1dji s GLY 638 N -3.13 0.94 -0.10 7.32 0.00 -0.28 -0.40 107.32 111.67 1dji s GLY 638 Ca 0.29 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.10 1dji s GLY 638 CO 0.14 -0.89 -0.19 1.20 0.00 0.00 0.00 173.10 173.35 1dji s GLN 639 N -1.19 2.57 -1.29 2.90 1.11 -0.69 -3.03 119.66 120.04 1dji s GLN 639 Ca 0.04 -0.70 -0.27 0.00 0.01 0.00 0.00 55.36 54.44 1dji s GLN 639 Cb -0.08 -2.05 0.03 0.00 -1.01 0.00 0.00 33.01 29.90 1dji s GLN 639 CO 0.02 0.05 0.53 1.04 0.01 0.00 0.00 175.29 176.93 1dji n GLN 640 N 3.88 -0.47 -2.05 2.91 6.02 0.08 -2.16 117.38 125.58 1dji n GLN 640 Ca -0.20 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 1dji n GLN 640 Cb 0.52 -2.83 -0.03 0.00 1.02 0.00 0.00 30.24 28.92 1dji n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dji s LEU 641 N -7.42 4.36 0.32 1.08 1.43 0.35 -4.00 118.68 114.79 1dji s LEU 641 Ca 0.38 2.44 -0.29 0.00 -1.03 0.00 0.00 54.13 55.63 1dji s LEU 641 Cb -0.21 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.31 1dji s LEU 641 CO 0.98 -0.76 1.31 -0.81 0.23 0.00 0.00 176.35 177.30 1dji n PRO 642 N 4.37 2.10 -1.95 1.29 -0.04 -1.26 -4.75 135.00 134.76 1dji n PRO 642 Ca 0.13 0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 63.91 1dji n PRO 642 Cb 0.41 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1dji n PRO 642 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1dji s LYS 643 N -1.52 4.12 0.00 0.54 2.36 -1.26 -4.79 119.74 119.19 1dji s LYS 643 Ca 0.58 2.22 0.00 0.00 -2.55 0.00 0.00 55.97 56.22 1dji s LYS 643 Cb -0.59 -4.03 0.00 0.00 -1.05 0.00 0.00 37.83 32.16 1dji s LYS 643 CO 0.59 -0.93 0.11 1.33 1.55 0.00 0.00 175.35 178.00 1dji n VAL 644 N 5.62 0.00 -2.75 4.02 0.24 -1.26 -4.73 118.33 119.47 1dji n VAL 644 Ca 0.18 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1dji n VAL 644 Cb 0.43 -0.61 -0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1dji n VAL 644 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dji n ASN 645 N -0.60 -7.69 -2.67 -1.34 4.13 -1.26 -5.02 115.26 100.81 1dji n ASN 645 Ca 0.00 1.38 -0.03 0.00 1.68 0.00 0.00 54.58 57.62 1dji n ASN 645 Cb 0.00 -5.13 0.03 0.00 -1.54 0.00 0.00 39.78 33.15 1dji n ASN 645 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1dji s LYS 646 N -1.56 0.15 0.20 3.52 2.20 -1.26 -5.11 119.74 117.87 1dji s LYS 646 Ca -0.01 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1dji s LYS 646 Cb 0.00 -0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1dji s LYS 646 CO 0.74 -0.18 0.00 -1.71 -0.36 0.00 0.00 175.35 173.84 1dji n ASN 647 N 2.66 -8.84 0.00 1.43 5.15 -1.26 -4.44 115.26 109.97 1dji n ASN 647 Ca 0.11 1.36 0.03 0.00 -0.60 0.00 0.00 54.58 55.47 1dji n ASN 647 Cb 0.65 -5.00 0.19 0.00 -0.53 0.00 0.00 39.78 35.09 1dji n ASN 647 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1dji n LYS 648 N 1.88 0.26 -0.01 1.20 4.01 -1.26 -1.26 118.16 122.97 1dji n LYS 648 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 1dji n LYS 648 Cb 0.00 -1.38 0.02 0.00 -0.51 0.00 0.00 35.03 33.17 1dji n LYS 648 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1dji n ASN 649 N -0.88 1.56 -4.96 4.39 5.15 -1.26 -5.01 115.26 114.25 1dji n ASN 649 Ca 0.05 -1.36 -0.23 0.00 -0.60 0.00 0.00 54.58 52.44 1dji n ASN 649 Cb 0.02 -0.02 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1dji n ASN 649 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1dji s SER 650 N -0.48 6.33 -0.05 1.20 0.15 -0.39 -5.10 113.70 115.36 1dji s SER 650 Ca 0.05 0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.91 1dji s SER 650 Cb 0.03 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1dji s SER 650 CO 0.05 -0.05 -0.15 -0.63 1.20 0.00 0.00 173.24 173.66 1dji s ILE 651 N -1.93 1.28 0.63 6.45 1.01 -1.26 -4.99 121.20 122.39 1dji s ILE 651 Ca 0.35 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1dji s ILE 651 Cb -0.10 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1dji s ILE 651 CO 0.29 0.38 0.94 1.33 0.00 0.00 0.00 174.94 177.88 1dji n VAL 652 N 3.34 3.60 -3.58 2.92 0.24 -1.26 -4.26 118.33 119.33 1dji n VAL 652 Ca -0.19 -0.48 -0.27 0.00 -2.04 0.00 0.00 64.34 61.36 1dji n VAL 652 Cb 0.53 -1.12 -0.10 0.00 -1.47 0.00 0.00 33.84 31.68 1dji n VAL 652 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1dji n ASP 653 N -0.94 2.04 -4.79 -1.34 8.00 -1.26 -0.41 116.55 117.86 1dji n ASP 653 Ca 0.14 -3.01 -0.35 0.00 0.71 0.00 0.00 54.79 52.28 1dji n ASP 653 Cb 0.48 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1dji n ASP 653 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1dji s PRO 654 N -1.34 3.87 0.05 -0.24 0.04 -1.07 -0.32 135.00 135.99 1dji s PRO 654 Ca 0.32 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1dji s PRO 654 Cb 0.05 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1dji s PRO 654 CO -0.13 -0.37 0.05 -1.59 0.04 0.00 0.00 177.00 174.99 1dji s LYS 655 N -3.06 0.63 -0.09 4.56 -2.85 -0.82 -1.16 119.74 116.95 1dji s LYS 655 Ca 0.65 -1.00 0.05 0.00 -1.00 0.00 0.00 55.97 54.66 1dji s LYS 655 Cb -0.18 0.24 -0.00 0.00 -2.06 0.00 0.00 37.83 35.82 1dji s LYS 655 CO 0.22 -0.15 -0.24 0.08 0.10 0.00 0.00 175.35 175.36 1dji s VAL 656 N -3.40 2.03 -0.10 1.79 1.01 -1.26 -1.78 120.40 118.69 1dji s VAL 656 Ca 0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1dji s VAL 656 Cb 0.04 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1dji s VAL 656 CO -0.08 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.86 1dji s ILE 657 N 0.20 3.56 -0.12 2.22 -1.09 0.20 -0.78 121.20 125.38 1dji s ILE 657 Ca -0.14 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 1dji s ILE 657 Cb -0.17 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1dji s ILE 657 CO 0.07 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.47 1dji s VAL 658 N -0.28 1.71 0.13 2.92 1.01 -0.05 -0.45 120.40 125.38 1dji s VAL 658 Ca 0.04 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1dji s VAL 658 Cb -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1dji s VAL 658 CO 0.03 0.48 -0.21 -1.61 0.00 0.00 0.00 175.10 173.78 1dji s GLU 659 N 0.95 1.22 -0.17 2.72 2.02 0.23 -1.00 118.70 124.67 1dji s GLU 659 Ca -0.06 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.64 1dji s GLU 659 Cb -0.15 -1.48 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 1dji s GLU 659 CO -0.02 0.33 -0.08 0.42 0.02 0.00 0.00 175.26 175.93 1dji s ILE 660 N -1.37 3.34 -0.08 -1.63 -1.09 0.34 -0.88 121.20 119.84 1dji s ILE 660 Ca 0.10 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 58.03 1dji s ILE 660 Cb -0.09 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 1dji s ILE 660 CO 0.05 0.48 -0.22 -1.00 -1.23 0.00 0.00 174.94 173.03 1dji s HIS 661 N 0.74 2.55 -2.18 3.97 3.76 -0.28 -2.43 115.29 121.43 1dji s HIS 661 Ca -0.04 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1dji s HIS 661 Cb -0.15 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1dji s HIS 661 CO 0.02 -0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.10 1dji n GLY 662 N 3.11 -0.67 3.72 -2.22 0.00 -1.26 0.11 105.19 107.97 1dji n GLY 662 Ca -0.18 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1dji n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dji s VAL 663 N -4.00 2.00 0.28 1.61 -7.23 -1.26 -4.71 120.40 107.09 1dji s VAL 663 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.13 1dji s VAL 663 Cb 0.00 -2.79 0.40 0.00 0.56 0.00 0.00 36.38 34.55 1dji s VAL 663 CO 0.00 -0.00 1.58 1.23 -0.31 0.00 0.00 175.10 177.60 1dji h GLY 664 N 0.01 0.94 2.00 2.32 0.00 -1.99 0.19 103.07 106.54 1dji h GLY 664 Ca -0.49 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1dji h GLY 664 CO 0.50 -0.41 -0.27 0.07 0.00 0.00 0.00 176.54 176.44 1dji h ARG 665 N 0.02 0.00 0.00 4.80 0.11 -1.90 -3.01 114.38 114.40 1dji h ARG 665 Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 1dji h ARG 665 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1dji h ARG 665 CO -0.90 0.27 -0.00 -0.44 0.10 0.00 0.00 179.97 178.99 1dji h ASP 666 N 0.00 0.00 -2.97 0.08 3.32 -1.28 -3.47 116.42 112.11 1dji h ASP 666 Ca -0.00 -0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 1dji h ASP 666 Cb 0.57 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.17 1dji h ASP 666 CO 0.03 0.00 0.86 0.42 -1.72 0.00 0.00 179.24 178.84 1dji s THR 667 N -3.18 2.55 0.24 0.35 -4.23 -1.11 -4.74 115.64 105.52 1dji s THR 667 Ca 0.08 0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 60.82 1dji s THR 667 Cb 0.07 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1dji s THR 667 CO 0.65 0.04 0.60 -0.83 -0.54 0.00 0.00 174.62 174.54 1dji s GLY 668 N 0.93 -0.01 -0.09 3.99 0.00 -1.02 -4.95 107.32 106.16 1dji s GLY 668 Ca 0.68 -0.32 -0.19 0.00 0.00 0.00 0.00 44.72 44.88 1dji s GLY 668 CO 0.35 -0.23 0.46 -0.45 0.00 0.00 0.00 173.10 173.23 1dji s SER 669 N -2.91 -0.42 0.06 1.64 0.15 -1.26 -0.50 113.70 110.46 1dji s SER 669 Ca 0.12 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.31 1dji s SER 669 Cb -0.03 0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1dji s SER 669 CO 0.02 -0.35 0.11 -0.13 1.20 0.00 0.00 173.24 174.09 1dji s ARG 670 N -0.60 0.70 0.03 5.44 1.81 -0.18 -4.97 118.95 121.19 1dji s ARG 670 Ca -0.07 -0.93 -0.00 0.00 -1.72 0.00 0.00 55.73 53.01 1dji s ARG 670 Cb -0.03 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.71 1dji s ARG 670 CO 0.04 -0.19 -0.04 1.14 -0.68 0.00 0.00 175.30 175.57 1dji s GLN 671 N -3.39 0.45 0.73 3.54 -2.07 -1.26 -0.87 119.66 116.78 1dji s GLN 671 Ca 0.02 -0.85 -0.02 0.00 -1.82 0.00 0.00 55.36 52.69 1dji s GLN 671 Cb 0.03 0.09 0.12 0.00 -1.09 0.00 0.00 33.01 32.17 1dji s GLN 671 CO -0.08 -0.06 1.01 0.95 -1.32 0.00 0.00 175.29 175.78 1dji s THR 672 N -2.32 2.17 1.09 3.63 -4.23 0.04 -4.98 115.64 111.03 1dji s THR 672 Ca -0.07 -0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 1dji s THR 672 Cb -0.04 -2.63 0.24 0.00 1.34 0.00 0.00 72.50 71.42 1dji s THR 672 CO -0.04 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 175.25 1dji s ALA 673 N -3.18 1.37 -0.16 3.99 0.00 -1.26 -4.55 121.76 117.98 1dji s ALA 673 Ca 0.66 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 1dji s ALA 673 Cb -0.06 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1dji s ALA 673 CO 0.45 -3.04 0.09 0.08 0.00 0.00 0.00 175.76 173.33 1dji s VAL 674 N -3.42 5.03 -0.09 0.00 1.01 -1.26 -4.43 120.40 117.24 1dji s VAL 674 Ca 0.72 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 1dji s VAL 674 Cb -0.07 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1dji s VAL 674 CO 0.55 0.51 0.23 -0.63 0.00 0.00 0.00 175.10 175.75 1dji s ILE 675 N -0.12 5.35 -0.09 2.22 -1.09 -0.31 -4.96 121.20 122.21 1dji s ILE 675 Ca 0.08 0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 58.76 1dji s ILE 675 Cb -0.12 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1dji s ILE 675 CO 0.01 0.58 0.38 -0.89 -1.23 0.00 0.00 174.94 173.79 1dji s THR 676 N -0.85 5.18 -1.35 2.92 2.01 -1.26 -2.60 115.64 119.69 1dji s THR 676 Ca 0.17 0.75 -0.09 0.00 0.31 0.00 0.00 61.69 62.83 1dji s THR 676 Cb -0.13 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1dji s THR 676 CO 0.06 0.45 0.46 0.59 -0.69 0.00 0.00 174.62 175.50 1dji n ASN 677 N 2.88 -1.64 -3.30 3.53 3.02 -1.01 -4.96 115.26 113.78 1dji n ASN 677 Ca -0.12 -1.09 -0.06 0.00 -0.03 0.00 0.00 54.58 53.28 1dji n ASN 677 Cb 0.52 -2.70 -0.06 0.00 -0.61 0.00 0.00 39.78 36.93 1dji n ASN 677 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1dji s ASN 678 N -4.08 -0.13 -0.00 6.41 3.84 0.46 -4.89 114.94 116.54 1dji s ASN 678 Ca 0.17 0.29 0.03 0.00 0.21 0.00 0.00 52.86 53.55 1dji s ASN 678 Cb -0.07 1.36 -0.04 0.00 -0.55 0.00 0.00 41.25 41.95 1dji s ASN 678 CO 0.91 -0.30 0.08 0.61 -2.79 0.00 0.00 177.10 175.61 1dji n GLY 679 N 5.38 0.25 0.15 1.21 0.00 -1.26 -4.29 105.19 106.64 1dji n GLY 679 Ca -0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1dji n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dji h PHE 680 N 0.00 0.64 -0.06 1.61 3.57 -1.87 1.02 116.94 121.85 1dji h PHE 680 Ca 0.00 -0.30 -0.23 0.00 3.53 0.00 0.00 57.97 60.97 1dji h PHE 680 Cb 0.10 -0.09 -0.16 0.00 2.79 0.00 0.00 35.95 38.58 1dji h PHE 680 CO 0.00 1.08 -0.40 0.27 -2.23 0.00 0.00 178.31 177.03 1dji n ASN 681 N -4.25 -1.73 -4.68 0.41 6.94 -1.23 -0.74 115.26 109.97 1dji n ASN 681 Ca -0.09 -2.52 -0.37 0.00 -0.02 0.00 0.00 54.58 51.59 1dji n ASN 681 Cb 0.61 0.96 0.07 0.00 -2.36 0.00 0.00 39.78 39.06 1dji n ASN 681 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1dji n PRO 682 N -0.53 0.88 -3.91 -0.53 -0.04 -1.17 -4.75 135.00 124.94 1dji n PRO 682 Ca -0.02 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.56 1dji n PRO 682 Cb 0.84 -2.40 -0.17 0.00 -0.04 0.00 0.00 33.50 31.74 1dji n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1dji s ARG 683 N -3.31 0.90 -0.19 0.54 3.52 -1.26 -1.13 118.95 118.02 1dji s ARG 683 Ca 0.79 -0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 56.30 1dji s ARG 683 Cb -0.37 -1.09 -0.10 0.00 -1.56 0.00 0.00 34.95 31.83 1dji s ARG 683 CO 0.44 -0.24 -0.21 0.91 -0.81 0.00 0.00 175.30 175.40 1dji n TRP 684 N 4.81 0.00 -3.75 5.12 8.01 0.12 -4.97 117.44 126.78 1dji n TRP 684 Ca -0.13 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.83 1dji n TRP 684 Cb 0.50 -0.69 0.03 0.00 -2.01 0.00 0.00 31.31 29.15 1dji n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1dji n ASP 685 N -3.51 -1.90 -4.47 -0.99 8.00 0.43 -4.98 116.55 109.12 1dji n ASP 685 Ca -0.35 -0.81 -0.31 0.00 0.71 0.00 0.00 54.79 54.03 1dji n ASP 685 Cb 0.80 -4.01 -0.12 0.00 -0.02 0.00 0.00 41.12 37.77 1dji n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1dji s MET 686 N -6.12 2.08 -0.00 -1.24 -2.45 -0.34 -4.94 119.30 106.29 1dji s MET 686 Ca 0.14 -0.98 0.05 0.00 -1.25 0.00 0.00 55.69 53.65 1dji s MET 686 Cb -0.07 -2.21 -0.02 0.00 1.25 0.00 0.00 34.83 33.79 1dji s MET 686 CO 0.82 0.54 -0.17 -2.00 1.05 0.00 0.00 175.02 175.25 1dji s GLU 687 N -1.54 1.35 0.21 4.11 2.12 -1.26 0.98 118.70 124.67 1dji s GLU 687 Ca 0.15 -0.66 0.10 0.00 0.36 0.00 0.00 54.97 54.92 1dji s GLU 687 Cb -0.11 -1.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.91 1dji s GLU 687 CO 0.06 0.36 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.89 1dji s PHE 688 N -0.49 2.03 -0.02 5.30 0.08 0.49 -4.96 117.98 120.41 1dji s PHE 688 Ca 0.06 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.70 1dji s PHE 688 Cb -0.07 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1dji s PHE 688 CO -0.00 0.48 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.57 1dji s GLU 689 N -3.15 0.53 0.04 0.44 2.12 -1.26 -0.62 118.70 116.81 1dji s GLU 689 Ca 0.22 -0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.52 1dji s GLU 689 Cb -0.05 -0.58 -0.02 0.00 0.26 0.00 0.00 34.13 33.74 1dji s GLU 689 CO 0.10 -0.02 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.59 1dji s PHE 690 N 0.55 1.23 -0.20 5.30 0.08 0.14 -4.98 117.98 120.11 1dji s PHE 690 Ca -0.06 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.56 1dji s PHE 690 Cb -0.10 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1dji s PHE 690 CO -0.00 0.04 0.03 -2.00 -0.10 0.00 0.00 175.22 173.19 1dji s GLU 691 N -1.22 3.74 -0.20 0.44 2.56 -1.26 -0.46 118.70 122.30 1dji s GLU 691 Ca 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 54.97 54.53 1dji s GLU 691 Cb -0.08 -3.16 0.04 0.00 2.00 0.00 0.00 34.13 32.93 1dji s GLU 691 CO 0.01 0.08 -0.10 0.08 -0.56 0.00 0.00 175.26 174.77 1dji s VAL 692 N 0.87 1.63 0.09 3.70 1.01 -0.65 -4.82 120.40 122.23 1dji s VAL 692 Ca 0.02 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1dji s VAL 692 Cb -0.14 -1.71 -0.23 0.00 0.00 0.00 0.00 36.38 34.30 1dji s VAL 692 CO 0.02 0.16 1.17 0.71 0.00 0.00 0.00 175.10 177.16 1dji h THR 693 N 6.41 1.56 -2.16 3.92 1.35 -1.86 0.12 112.91 122.25 1dji h THR 693 Ca -0.27 -3.26 -0.57 0.00 -0.55 0.00 0.00 66.41 61.75 1dji h THR 693 Cb 1.10 2.81 -0.41 0.00 -1.73 0.00 0.00 68.15 69.91 1dji h THR 693 CO 0.47 0.90 -0.77 0.52 -0.25 0.00 0.00 175.52 176.39 1dji n VAL 694 N -3.35 1.71 -0.22 6.82 0.31 -1.26 -0.54 118.33 121.80 1dji n VAL 694 Ca -0.04 -5.03 0.23 0.00 -0.01 0.00 0.00 64.34 59.48 1dji n VAL 694 Cb 0.97 -1.65 0.59 0.00 -0.91 0.00 0.00 33.84 32.84 1dji n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1dji h PRO 695 N 3.65 0.25 0.00 5.55 0.13 -1.80 -0.40 132.00 139.38 1dji h PRO 695 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1dji h PRO 695 Cb 0.69 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1dji h PRO 695 CO 0.72 0.16 0.00 -0.25 -0.23 0.00 0.00 178.00 178.41 1dji n ASP 696 N -4.43 0.16 0.00 1.44 8.00 -1.26 -1.15 116.55 119.30 1dji n ASP 696 Ca 0.19 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.26 1dji n ASP 696 Cb 0.80 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1dji n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1dji n LEU 697 N -1.71 1.59 -4.94 0.64 4.77 -0.16 -4.83 117.00 112.35 1dji n LEU 697 Ca -0.00 -1.59 -0.24 0.00 -0.03 0.00 0.00 56.01 54.15 1dji n LEU 697 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1dji n LEU 697 CO 0.03 0.40 0.19 0.00 -1.33 0.00 0.00 177.39 176.68 1dji s ALA 698 N -0.62 3.69 -0.03 -1.18 0.00 -0.30 -4.24 121.76 119.08 1dji s ALA 698 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 1dji s ALA 698 Cb 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 20.99 1dji s ALA 698 CO 0.00 -0.05 0.10 -0.51 0.00 0.00 0.00 175.76 175.30 1dji s LEU 699 N -4.35 1.64 -0.18 0.00 1.02 0.12 -1.33 118.68 115.60 1dji s LEU 699 Ca 0.41 0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.59 1dji s LEU 699 Cb -0.10 0.41 -0.02 0.00 0.02 0.00 0.00 46.19 46.51 1dji s LEU 699 CO 0.37 -0.13 -0.06 -0.69 0.02 0.00 0.00 176.35 175.85 1dji s VAL 700 N -0.39 3.49 -0.09 -1.59 1.01 0.14 -1.13 120.40 121.85 1dji s VAL 700 Ca -0.05 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1dji s VAL 700 Cb -0.03 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1dji s VAL 700 CO 0.00 0.47 -0.21 -0.60 0.00 0.00 0.00 175.10 174.76 1dji s ARG 701 N 0.85 2.91 -0.22 2.72 3.52 -0.06 -0.13 118.95 128.54 1dji s ARG 701 Ca -0.02 -0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 1dji s ARG 701 Cb -0.15 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 1dji s ARG 701 CO 0.01 0.29 0.01 -0.06 -0.81 0.00 0.00 175.30 174.74 1dji s PHE 702 N 0.09 3.03 -0.06 5.12 0.40 0.11 -0.60 117.98 126.06 1dji s PHE 702 Ca -0.10 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1dji s PHE 702 Cb -0.16 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.24 1dji s PHE 702 CO 0.06 -0.37 -0.14 1.41 0.70 0.00 0.00 175.22 176.88 1dji s MET 703 N 1.33 1.84 -0.12 0.44 1.75 0.40 -1.23 119.30 123.72 1dji s MET 703 Ca 0.04 -0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 53.97 1dji s MET 703 Cb -0.15 -1.52 -0.02 0.00 2.84 0.00 0.00 34.83 35.98 1dji s MET 703 CO 0.01 0.09 -0.07 0.08 -0.65 0.00 0.00 175.02 174.48 1dji s VAL 704 N 0.48 3.62 0.11 10.11 1.01 -0.38 0.59 120.40 135.94 1dji s VAL 704 Ca -0.13 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1dji s VAL 704 Cb -0.15 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1dji s VAL 704 CO 0.04 0.53 -0.17 -1.61 0.00 0.00 0.00 175.10 173.89 1dji s GLU 705 N 0.04 1.05 -0.50 2.72 2.02 -0.73 -0.28 118.70 123.01 1dji s GLU 705 Ca -0.01 -1.19 -0.18 0.00 0.02 0.00 0.00 54.97 53.60 1dji s GLU 705 Cb -0.14 -1.09 0.07 0.00 0.10 0.00 0.00 34.13 33.07 1dji s GLU 705 CO 0.03 0.23 0.55 0.34 0.02 0.00 0.00 175.26 176.43 1dji s ASP 706 N -2.21 6.19 0.26 -0.19 -1.08 0.31 -1.95 116.67 118.01 1dji s ASP 706 Ca 0.07 -1.13 -0.31 0.00 -0.52 0.00 0.00 52.55 50.67 1dji s ASP 706 Cb -0.07 -2.25 -0.12 0.00 -1.46 0.00 0.00 42.92 39.02 1dji s ASP 706 CO 0.04 -0.82 1.65 -0.47 0.52 0.00 0.00 175.17 176.08 1dji s TYR 707 N 2.25 2.80 -0.09 -5.34 5.04 0.56 -1.91 117.35 120.66 1dji s TYR 707 Ca 0.10 0.61 -0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1dji s TYR 707 Cb -0.22 -4.11 0.02 0.00 0.35 0.00 0.00 41.96 38.01 1dji s TYR 707 CO 0.09 -3.89 -0.06 0.34 -1.34 0.00 0.00 175.55 170.69 1dji s ASP 708 N 0.75 1.85 0.01 4.32 -1.08 -1.26 -4.70 116.67 116.56 1dji s ASP 708 Ca 0.68 -0.24 -0.14 0.00 -0.52 0.00 0.00 52.55 52.33 1dji s ASP 708 Cb -0.49 -0.71 -0.08 0.00 -1.46 0.00 0.00 42.92 40.19 1dji s ASP 708 CO 0.42 -0.10 1.04 0.77 0.52 0.00 0.00 175.17 177.82 1dji h SER 709 N 7.90 -0.43 -0.02 -0.34 4.64 -1.94 -3.21 113.55 120.15 1dji h SER 709 Ca -0.29 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1dji h SER 709 Cb 1.14 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dji h SER 709 CO 0.39 -0.27 0.03 0.77 -0.87 0.00 0.00 176.83 176.88 1dji h SER 710 N -0.59 0.00 -1.55 4.97 4.64 -2.04 -3.46 113.55 115.52 1dji h SER 710 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1dji h SER 710 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1dji h SER 710 CO 0.09 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.51 1dji n SER 711 N -3.68 0.00 -4.77 4.97 3.41 -1.21 -5.14 113.62 107.20 1dji n SER 711 Ca -0.03 -0.94 -0.40 0.00 -0.26 0.00 0.00 58.87 57.24 1dji n SER 711 Cb 0.11 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1dji n SER 711 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1dji s LYS 712 N -1.82 4.26 0.17 4.33 2.47 -1.26 -4.21 119.74 123.68 1dji s LYS 712 Ca 0.00 2.18 -0.30 0.00 -1.56 0.00 0.00 55.97 56.29 1dji s LYS 712 Cb 0.00 -2.99 -0.07 0.00 -1.46 0.00 0.00 37.83 33.31 1dji s LYS 712 CO 0.00 -0.25 1.11 -0.80 0.16 0.00 0.00 175.35 175.57 1dji s ASN 713 N -0.57 7.24 0.31 1.43 0.01 -1.26 -4.61 114.94 117.49 1dji s ASN 713 Ca 0.51 2.09 -0.27 0.00 -0.71 0.00 0.00 52.86 54.47 1dji s ASN 713 Cb -0.39 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.58 1dji s ASN 713 CO 0.51 -0.25 1.02 -1.81 -1.51 0.00 0.00 177.10 175.05 1dji s ASP 714 N 0.02 7.24 0.07 -1.22 1.01 -0.80 -4.75 116.67 118.24 1dji s ASP 714 Ca 0.50 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 55.50 1dji s ASP 714 Cb -0.29 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 40.98 1dji s ASP 714 CO 0.34 -0.15 1.09 0.12 0.21 0.00 0.00 175.17 176.79 1dji s PHE 715 N -1.40 3.56 -0.20 4.23 2.19 -1.26 0.11 117.98 125.21 1dji s PHE 715 Ca 0.48 1.52 -0.04 0.00 0.33 0.00 0.00 56.93 59.23 1dji s PHE 715 Cb -0.25 -3.27 -0.11 0.00 -1.31 0.00 0.00 43.02 38.07 1dji s PHE 715 CO 0.32 -0.65 -0.22 -0.89 1.83 0.00 0.00 175.22 175.61 1dji n ILE 716 N 3.53 1.14 -3.65 3.12 5.41 0.61 -4.83 119.36 124.69 1dji n ILE 716 Ca 0.06 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1dji n ILE 716 Cb 0.48 -1.45 -0.01 0.00 -0.71 0.00 0.00 39.64 37.96 1dji n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1dji s GLY 717 N -5.69 -0.37 0.20 7.39 0.00 -1.14 -4.81 107.32 102.90 1dji s GLY 717 Ca -0.28 0.57 -0.19 0.00 0.00 0.00 0.00 44.72 44.82 1dji s GLY 717 CO 0.42 0.10 0.57 1.62 0.00 0.00 0.00 173.10 175.82 1dji s GLN 718 N -2.65 1.43 -0.26 2.90 -0.44 -0.37 -1.25 119.66 119.02 1dji s GLN 718 Ca 0.13 -0.79 -0.15 0.00 -2.50 0.00 0.00 55.36 52.05 1dji s GLN 718 Cb 0.03 0.55 0.08 0.00 -1.64 0.00 0.00 33.01 32.03 1dji s GLN 718 CO -0.02 -0.62 0.64 0.45 0.50 0.00 0.00 175.29 176.23 1dji s SER 719 N -2.85 -0.86 -0.13 6.67 0.15 -0.36 0.31 113.70 116.62 1dji s SER 719 Ca 0.08 1.40 0.03 0.00 0.70 0.00 0.00 55.95 58.15 1dji s SER 719 Cb -0.02 1.28 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 1dji s SER 719 CO -0.03 -0.23 -0.22 -0.89 1.20 0.00 0.00 173.24 173.07 1dji s THR 720 N 1.54 1.99 -0.12 6.45 2.01 -1.26 0.07 115.64 126.32 1dji s THR 720 Ca -0.09 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1dji s THR 720 Cb -0.06 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.72 1dji s THR 720 CO -0.18 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.51 1dji s ILE 721 N 0.72 1.56 0.30 1.82 1.01 0.82 -4.57 121.20 122.86 1dji s ILE 721 Ca -0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 1dji s ILE 721 Cb -0.16 -1.44 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 1dji s ILE 721 CO 0.01 0.45 1.42 -2.84 0.00 0.00 0.00 174.94 173.99 1dji s PRO 722 N 1.12 4.25 0.20 2.79 0.02 -1.26 0.27 135.00 142.39 1dji s PRO 722 Ca -0.03 2.35 -0.16 0.00 0.02 0.00 0.00 61.00 63.19 1dji s PRO 722 Cb -0.14 -3.06 0.21 0.00 0.02 0.00 0.00 34.50 31.52 1dji s PRO 722 CO -0.04 -0.39 1.37 1.87 -0.33 0.00 0.00 177.00 179.47 1dji n TRP 723 N 1.50 0.02 1.44 6.54 -0.00 -0.44 -0.33 117.44 126.17 1dji n TRP 723 Ca 0.04 1.09 0.07 0.00 -0.00 0.00 0.00 57.50 58.70 1dji n TRP 723 Cb 0.40 -0.82 0.43 0.00 -0.00 0.00 0.00 31.31 31.32 1dji n TRP 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1dji n ASN 724 N -5.30 0.00 -0.29 5.87 3.02 -1.26 -2.07 115.26 115.23 1dji n ASN 724 Ca 0.09 -0.98 0.04 0.00 -0.03 0.00 0.00 54.58 53.69 1dji n ASN 724 Cb 0.35 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.55 1dji n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dji n SER 725 N -0.82 1.62 -4.63 6.41 7.64 0.55 -4.97 113.62 119.42 1dji n SER 725 Ca 0.11 -1.31 -0.43 0.00 1.01 0.00 0.00 58.87 58.25 1dji n SER 725 Cb 0.05 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 1dji n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1dji s LEU 726 N -0.61 3.93 0.40 -3.43 2.96 -0.88 0.17 118.68 121.22 1dji s LEU 726 Ca 0.09 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.19 1dji s LEU 726 Cb 0.06 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 1dji s LEU 726 CO 0.09 -1.06 0.84 -0.54 -1.32 0.00 0.00 176.35 174.36 1dji s LYS 727 N 4.14 4.00 0.34 1.98 -0.14 -0.07 -4.91 119.74 125.07 1dji s LYS 727 Ca 0.58 0.78 0.06 0.00 -1.36 0.00 0.00 55.97 56.03 1dji s LYS 727 Cb -0.19 -2.31 -0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1dji s LYS 727 CO 0.23 -0.00 0.47 -0.65 -0.76 0.00 0.00 175.35 174.64 1dji s GLN 728 N -3.41 3.12 0.88 1.68 -0.21 -1.26 -4.72 119.66 115.74 1dji s GLN 728 Ca 0.56 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1dji s GLN 728 Cb -0.10 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.10 1dji s GLN 728 CO 0.22 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 1dji n GLY 729 N -1.65 -0.83 3.70 3.09 0.00 -0.84 -4.47 105.19 104.18 1dji n GLY 729 Ca -0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1dji n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dji s TYR 730 N 0.00 3.54 0.14 1.61 2.02 -1.26 -1.05 117.35 122.36 1dji s TYR 730 Ca 0.00 1.37 -0.09 0.00 -0.37 0.00 0.00 57.07 57.98 1dji s TYR 730 Cb 0.00 -2.97 -0.01 0.00 -0.40 0.00 0.00 41.96 38.59 1dji s TYR 730 CO 0.00 -0.06 0.26 1.03 -1.57 0.00 0.00 175.55 175.21 1dji s ARG 731 N 1.37 1.08 -0.13 -0.62 1.81 0.41 -4.98 118.95 117.90 1dji s ARG 731 Ca 0.42 -1.11 -0.01 0.00 -1.72 0.00 0.00 55.73 53.31 1dji s ARG 731 Cb -0.18 0.37 -0.02 0.00 -0.45 0.00 0.00 34.95 34.67 1dji s ARG 731 CO 0.18 -0.39 -0.09 -1.01 -0.68 0.00 0.00 175.30 173.32 1dji s HIS 732 N -3.94 2.90 -0.27 -0.53 3.76 -0.84 0.05 115.29 116.42 1dji s HIS 732 Ca 0.14 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1dji s HIS 732 Cb 0.04 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1dji s HIS 732 CO -0.03 -0.05 0.45 0.08 -0.85 0.00 0.00 174.74 174.33 1dji s VAL 733 N 0.15 5.12 -0.48 -0.90 1.01 0.17 -1.88 120.40 123.59 1dji s VAL 733 Ca -0.04 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 1dji s VAL 733 Cb -0.14 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1dji s VAL 733 CO 0.04 0.10 0.83 -1.00 0.00 0.00 0.00 175.10 175.07 1dji s HIS 734 N 2.20 2.94 0.23 5.22 3.76 -1.26 -1.29 115.29 127.09 1dji s HIS 734 Ca 0.18 0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 1dji s HIS 734 Cb -0.16 -3.79 -0.09 0.00 1.11 0.00 0.00 32.58 29.65 1dji s HIS 734 CO 0.10 -1.08 1.31 -0.51 -0.85 0.00 0.00 174.74 173.71 1dji s LEU 735 N 3.47 4.42 0.16 0.89 1.43 -0.76 -4.74 118.68 123.56 1dji s LEU 735 Ca 0.30 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.94 1dji s LEU 735 Cb -0.12 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1dji s LEU 735 CO 0.22 -0.53 0.08 -0.76 0.23 0.00 0.00 176.35 175.59 1dji s LEU 736 N -0.50 3.62 0.84 1.79 1.43 0.15 -1.95 118.68 124.05 1dji s LEU 736 Ca 0.55 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1dji s LEU 736 Cb -0.37 -2.25 0.13 0.00 0.03 0.00 0.00 46.19 43.73 1dji s LEU 736 CO 0.41 0.08 1.18 -0.94 0.23 0.00 0.00 176.35 177.31 1dji s SER 737 N -3.00 3.97 0.36 2.29 1.04 0.31 -1.23 113.70 117.44 1dji s SER 737 Ca 0.30 0.34 0.15 0.00 0.48 0.00 0.00 55.95 57.21 1dji s SER 737 Cb -0.10 -0.66 1.03 0.00 0.10 0.00 0.00 66.02 66.39 1dji s SER 737 CO 0.21 -2.18 1.74 0.50 0.98 0.00 0.00 173.24 174.49 1dji h LYS 738 N -1.13 0.44 -0.27 4.02 3.64 -1.89 0.92 116.57 122.29 1dji h LYS 738 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1dji h LYS 738 Cb 1.28 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1dji h LYS 738 CO 0.49 0.29 0.00 0.09 -2.27 0.00 0.00 179.45 178.06 1dji n ASN 739 N -4.77 1.51 0.00 4.20 3.02 -1.26 -4.45 115.26 113.51 1dji n ASN 739 Ca 0.27 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1dji n ASN 739 Cb 0.86 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1dji n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dji n GLY 740 N 0.97 0.82 3.81 7.41 0.00 0.32 -5.02 105.19 113.49 1dji n GLY 740 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1dji n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dji s ASP 741 N -2.75 6.46 0.29 1.61 1.01 -1.26 -4.73 116.67 117.30 1dji s ASP 741 Ca 0.00 1.80 -0.28 0.00 0.71 0.00 0.00 52.55 54.78 1dji s ASP 741 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1dji s ASP 741 CO 0.00 -0.70 1.02 -1.10 0.21 0.00 0.00 175.17 174.60 1dji s GLN 742 N -3.44 4.63 -0.45 8.23 -1.52 -1.26 -0.53 119.66 125.32 1dji s GLN 742 Ca 0.64 1.59 -0.08 0.00 -1.95 0.00 0.00 55.36 55.57 1dji s GLN 742 Cb -0.13 -3.07 0.11 0.00 -0.22 0.00 0.00 33.01 29.70 1dji s GLN 742 CO 0.22 0.27 0.31 -1.01 -0.25 0.00 0.00 175.29 174.82 1dji s HIS 743 N -1.31 3.46 0.24 0.91 3.76 -0.82 -4.86 115.29 116.67 1dji s HIS 743 Ca 0.46 -1.98 -0.03 0.00 -0.15 0.00 0.00 55.06 53.37 1dji s HIS 743 Cb -0.27 -3.39 0.50 0.00 1.11 0.00 0.00 32.58 30.53 1dji s HIS 743 CO 0.34 -0.98 1.27 -0.35 -0.85 0.00 0.00 174.74 174.17 1dji n PRO 744 N 4.83 -0.07 -0.01 8.40 -0.04 -1.26 -2.48 135.00 144.37 1dji n PRO 744 Ca -0.07 1.25 0.02 0.00 -0.04 0.00 0.00 63.50 64.66 1dji n PRO 744 Cb 0.41 -1.92 0.02 0.00 -0.04 0.00 0.00 33.50 31.97 1dji n PRO 744 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1dji n SER 745 N -5.25 1.51 -4.60 3.54 7.64 -1.26 -4.97 113.62 110.24 1dji n SER 745 Ca 0.16 -1.31 -0.42 0.00 1.01 0.00 0.00 58.87 58.31 1dji n SER 745 Cb 0.52 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 1dji n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dji s ALA 746 N -0.46 3.41 0.21 -0.43 0.00 -1.04 -4.41 121.76 119.05 1dji s ALA 746 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1dji s ALA 746 Cb 0.04 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1dji s ALA 746 CO 0.05 -1.58 0.08 0.95 0.00 0.00 0.00 175.76 175.26 1dji s THR 747 N 3.37 0.34 -0.03 0.00 -4.23 -0.92 -1.82 115.64 112.36 1dji s THR 747 Ca 0.36 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1dji s THR 747 Cb -0.12 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1dji s THR 747 CO 0.18 -0.16 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.14 1dji s LEU 748 N -3.20 2.01 -0.24 4.79 1.43 -0.41 -1.70 118.68 121.36 1dji s LEU 748 Ca 0.33 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1dji s LEU 748 Cb 0.07 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1dji s LEU 748 CO 0.10 0.22 0.11 0.12 0.23 0.00 0.00 176.35 177.13 1dji s PHE 749 N -0.28 3.21 0.24 0.29 5.36 0.47 0.45 117.98 127.71 1dji s PHE 749 Ca 0.03 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1dji s PHE 749 Cb -0.10 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 1dji s PHE 749 CO 0.01 -0.09 0.09 0.14 -1.46 0.00 0.00 175.22 173.91 1dji s VAL 750 N 1.20 0.52 -0.12 3.12 -7.23 0.11 -1.88 120.40 116.12 1dji s VAL 750 Ca 0.06 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1dji s VAL 750 Cb -0.14 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1dji s VAL 750 CO 0.05 -0.06 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.94 1dji s LYS 751 N -4.03 1.60 -0.25 4.82 2.20 -0.88 -0.44 119.74 122.76 1dji s LYS 751 Ca 0.36 -0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1dji s LYS 751 Cb 0.08 -1.63 0.03 0.00 -1.51 0.00 0.00 37.83 34.80 1dji s LYS 751 CO 0.12 -0.26 -0.07 0.42 -0.36 0.00 0.00 175.35 175.20 1dji s ILE 752 N 1.67 2.76 -0.08 5.43 1.01 -0.21 -1.18 121.20 130.60 1dji s ILE 752 Ca 0.05 -1.13 0.04 0.00 0.00 0.00 0.00 60.65 59.61 1dji s ILE 752 Cb -0.13 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1dji s ILE 752 CO -0.08 0.16 -0.21 -0.55 0.00 0.00 0.00 174.94 174.25 1dji s SER 753 N 1.29 3.38 -0.12 3.58 0.15 0.06 -1.99 113.70 120.04 1dji s SER 753 Ca -0.01 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1dji s SER 753 Cb -0.17 -1.12 0.01 0.00 -1.71 0.00 0.00 66.02 63.03 1dji s SER 753 CO -0.05 0.22 -0.22 -0.63 1.20 0.00 0.00 173.24 173.76 1dji s ILE 754 N -0.02 2.02 0.03 6.45 1.01 -1.26 -0.03 121.20 129.41 1dji s ILE 754 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1dji s ILE 754 Cb -0.15 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1dji s ILE 754 CO 0.05 0.55 -0.04 -1.58 0.00 0.00 0.00 174.94 173.92 1dji s GLN 755 N 0.67 0.42 0.00 2.79 0.74 -0.20 -4.95 119.66 119.13 1dji s GLN 755 Ca -0.11 -0.79 0.26 0.00 0.05 0.00 0.00 55.36 54.77 1dji s GLN 755 Cb -0.16 0.06 0.53 0.00 1.10 0.00 0.00 33.01 34.53 1dji s GLN 755 CO 0.02 -0.05 1.45 -0.25 -0.55 0.00 0.00 175.29 175.91