#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv3 s ILE 203 N 0.00 1.60 0.02 0.55 2.07 -1.26 -0.70 121.20 123.48 1iv3 s ILE 203 Ca 0.00 -1.46 -0.01 0.00 -1.41 0.00 0.00 60.65 57.77 1iv3 s ILE 203 Cb 0.00 -1.45 -0.02 0.00 0.13 0.00 0.00 42.46 41.12 1iv3 s ILE 203 CO 0.00 -0.06 -0.00 -0.83 -1.91 0.00 0.00 174.94 172.14 1iv3 s GLY 204 N -1.79 0.23 -0.06 1.50 0.00 -0.52 -4.15 107.32 102.53 1iv3 s GLY 204 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.21 1iv3 s GLY 204 CO 0.04 -0.66 -0.09 -0.47 0.00 0.00 0.00 173.10 171.92 1iv3 s TYR 205 N -1.65 1.16 0.04 1.90 5.04 -1.26 -0.63 117.35 121.95 1iv3 s TYR 205 Ca -0.14 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.09 1iv3 s TYR 205 Cb -0.08 -0.91 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 1iv3 s TYR 205 CO -0.01 -0.25 -0.05 0.20 -1.34 0.00 0.00 175.55 174.09 1iv3 s GLY 206 N 0.83 0.41 0.06 8.97 0.00 -0.09 -4.25 107.32 113.24 1iv3 s GLY 206 Ca -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.80 1iv3 s GLY 206 CO 0.02 -0.89 -0.07 -0.54 0.00 0.00 0.00 173.10 171.62 1iv3 s GLU 207 N -2.14 0.61 0.02 2.90 2.02 -1.26 -0.61 118.70 120.24 1iv3 s GLU 207 Ca -0.08 -0.96 -0.21 0.00 0.02 0.00 0.00 54.97 53.74 1iv3 s GLU 207 Cb -0.05 -0.19 0.05 0.00 0.10 0.00 0.00 34.13 34.03 1iv3 s GLU 207 CO -0.02 0.01 0.48 0.34 0.02 0.00 0.00 175.26 176.08 1iv3 s ASP 208 N -2.12 -0.39 -0.00 -0.19 2.15 -0.25 -4.52 116.67 111.35 1iv3 s ASP 208 Ca -0.03 0.19 -0.15 0.00 0.43 0.00 0.00 52.55 52.99 1iv3 s ASP 208 Cb -0.04 0.45 0.02 0.00 -0.30 0.00 0.00 42.92 43.06 1iv3 s ASP 208 CO -0.02 -0.65 0.31 -0.94 -0.17 0.00 0.00 175.17 173.70 1iv3 s SER 209 N -1.78 -0.18 -0.00 -0.34 1.04 -1.26 -0.34 113.70 110.83 1iv3 s SER 209 Ca -0.07 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 1iv3 s SER 209 Cb -0.01 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1iv3 s SER 209 CO 0.01 -0.48 0.05 -1.00 0.98 0.00 0.00 173.24 172.79 1iv3 s HIS 210 N -1.58 0.08 0.27 5.02 3.76 -0.44 -4.98 115.29 117.42 1iv3 s HIS 210 Ca -0.12 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 1iv3 s HIS 210 Cb -0.04 -0.07 -0.10 0.00 1.11 0.00 0.00 32.58 33.48 1iv3 s HIS 210 CO 0.03 -0.16 1.35 0.50 -0.85 0.00 0.00 174.74 175.60 1iv3 s ARG 211 N -0.91 4.34 -0.10 1.40 3.52 -1.26 -0.67 118.95 125.27 1iv3 s ARG 211 Ca -0.10 2.19 -0.06 0.00 -0.13 0.00 0.00 55.73 57.63 1iv3 s ARG 211 Cb -0.06 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1iv3 s ARG 211 CO 0.00 -0.27 0.14 -0.51 -0.81 0.00 0.00 175.30 173.85 1iv3 s LEU 212 N -0.89 4.35 0.00 -0.88 1.43 0.10 -0.99 118.68 121.80 1iv3 s LEU 212 Ca 0.54 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 54.13 1iv3 s LEU 212 Cb -0.39 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1iv3 s LEU 212 CO 0.46 0.39 -0.16 -0.70 0.23 0.00 0.00 176.35 176.56 1iv3 s GLU 213 N -1.15 1.23 0.48 1.70 2.56 0.17 -4.81 118.70 118.87 1iv3 s GLU 213 Ca 0.17 -0.65 -0.24 0.00 0.00 0.00 0.00 54.97 54.25 1iv3 s GLU 213 Cb -0.12 -1.22 -0.07 0.00 2.00 0.00 0.00 34.13 34.72 1iv3 s GLU 213 CO 0.06 0.33 1.41 -1.21 -0.56 0.00 0.00 175.26 175.29 1iv3 s GLU 214 N -0.61 3.50 0.00 4.30 0.41 -1.26 -0.75 118.70 124.29 1iv3 s GLU 214 Ca 0.05 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 56.98 1iv3 s GLU 214 Cb -0.07 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1iv3 s GLU 214 CO 0.00 -0.95 0.00 0.41 -0.49 0.00 0.00 175.26 174.23 1iv3 n GLY 215 N 0.63 0.62 3.92 -1.39 0.00 0.15 -4.85 105.19 104.27 1iv3 n GLY 215 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1iv3 n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv3 s ARG 216 N -0.31 3.49 0.50 1.61 0.52 -1.19 -4.96 118.95 118.60 1iv3 s ARG 216 Ca 0.00 -0.38 -0.22 0.00 -0.52 0.00 0.00 55.73 54.61 1iv3 s ARG 216 Cb 0.00 -2.94 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 1iv3 s ARG 216 CO 0.00 0.51 1.21 -2.14 0.02 0.00 0.00 175.30 174.90 1iv3 s PRO 217 N -2.89 3.53 -0.21 3.54 0.02 -1.26 -2.35 135.00 135.37 1iv3 s PRO 217 Ca 0.37 1.86 -0.07 0.00 0.02 0.00 0.00 61.00 63.18 1iv3 s PRO 217 Cb -0.12 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 1iv3 s PRO 217 CO 0.28 -0.77 0.06 -1.17 -0.33 0.00 0.00 177.00 175.08 1iv3 s LEU 218 N -3.28 3.62 -0.17 -5.54 2.96 -1.26 -3.18 118.68 111.82 1iv3 s LEU 218 Ca 0.67 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1iv3 s LEU 218 Cb -0.31 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1iv3 s LEU 218 CO 0.37 0.07 -0.10 -0.31 -1.32 0.00 0.00 176.35 175.06 1iv3 s TYR 219 N 0.98 2.88 -0.03 5.38 2.02 -1.26 -1.23 117.35 126.09 1iv3 s TYR 219 Ca 0.04 -0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 55.89 1iv3 s TYR 219 Cb -0.14 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 1iv3 s TYR 219 CO 0.03 -0.39 0.07 -0.51 -1.57 0.00 0.00 175.55 173.19 1iv3 s LEU 220 N 0.87 1.47 -1.66 -1.29 1.43 0.07 -4.04 118.68 115.53 1iv3 s LEU 220 Ca -0.03 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1iv3 s LEU 220 Cb -0.15 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.27 1iv3 s LEU 220 CO 0.00 -0.06 0.00 0.00 0.23 0.00 0.00 176.35 176.52 1iv3 n GLY 222 N -0.73 0.55 3.68 0.00 0.00 -1.26 -4.52 105.19 102.92 1iv3 n GLY 222 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1iv3 n GLY 222 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv3 s LEU 223 N 0.00 3.46 -0.17 0.99 1.43 -0.40 -5.04 118.68 118.95 1iv3 s LEU 223 Ca 0.00 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 1iv3 s LEU 223 Cb 0.00 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1iv3 s LEU 223 CO 0.00 0.21 1.18 -0.22 0.23 0.00 0.00 176.35 177.75 1iv3 s LEU 224 N -2.03 4.17 -0.25 1.79 1.98 -1.26 -0.75 118.68 122.33 1iv3 s LEU 224 Ca 0.23 1.61 -0.03 0.00 -2.89 0.00 0.00 54.13 53.05 1iv3 s LEU 224 Cb -0.12 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.21 1iv3 s LEU 224 CO 0.15 -0.70 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.24 1iv3 s ILE 225 N 3.19 3.15 0.21 6.68 -1.09 -0.37 -4.99 121.20 127.98 1iv3 s ILE 225 Ca 0.51 -0.83 -0.32 0.00 -2.23 0.00 0.00 60.65 57.78 1iv3 s ILE 225 Cb -0.20 -2.55 -0.14 0.00 -1.58 0.00 0.00 42.46 37.99 1iv3 s ILE 225 CO 0.13 0.25 1.44 -2.65 -1.23 0.00 0.00 174.94 172.88 1iv3 n PRO 226 N 4.73 2.00 -3.56 2.79 -0.02 -1.26 -4.21 135.00 135.48 1iv3 n PRO 226 Ca -0.17 0.72 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1iv3 n PRO 226 Cb 0.48 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 1iv3 n PRO 226 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv3 s SER 227 N 0.46 -0.41 0.14 2.55 0.15 -1.26 -4.90 113.70 110.42 1iv3 s SER 227 Ca 0.72 0.40 0.27 0.00 0.70 0.00 0.00 55.95 58.04 1iv3 s SER 227 Cb -0.68 0.35 0.96 0.00 -1.71 0.00 0.00 66.02 64.94 1iv3 s SER 227 CO 0.46 -0.42 1.82 -0.81 1.20 0.00 0.00 173.24 175.50 1iv3 n PRO 228 N 0.63 0.17 -4.07 5.44 -0.04 -1.26 -4.83 135.00 131.05 1iv3 n PRO 228 Ca -0.11 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1iv3 n PRO 228 Cb 0.58 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 1iv3 n PRO 228 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iv3 s VAL 229 N -3.07 0.39 0.16 0.52 -7.23 -1.26 -0.68 120.40 109.22 1iv3 s VAL 229 Ca 0.12 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 1iv3 s VAL 229 Cb 0.14 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 36.22 1iv3 s VAL 229 CO 0.57 -0.63 0.43 -0.83 -0.31 0.00 0.00 175.10 174.33 1iv3 s GLY 230 N -2.09 -0.11 0.26 2.32 0.00 0.07 -4.18 107.32 103.59 1iv3 s GLY 230 Ca -0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 1iv3 s GLY 230 CO -0.03 -0.36 1.28 0.00 0.00 0.00 0.00 173.10 173.99 1iv3 s ALA 231 N -3.85 3.50 -0.47 3.20 0.00 -1.19 0.41 121.76 123.36 1iv3 s ALA 231 Ca 0.07 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 1iv3 s ALA 231 Cb 0.01 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1iv3 s ALA 231 CO -0.07 -0.52 0.85 -1.17 0.00 0.00 0.00 175.76 174.85 1iv3 s LEU 232 N -0.95 4.17 0.17 0.00 2.96 -0.16 -4.79 118.68 120.08 1iv3 s LEU 232 Ca 0.52 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 54.09 1iv3 s LEU 232 Cb -0.37 -3.00 0.06 0.00 0.50 0.00 0.00 46.19 43.38 1iv3 s LEU 232 CO 0.44 -1.02 0.71 0.00 -1.32 0.00 0.00 176.35 175.17 1iv3 s ALA 233 N 3.54 -1.53 -0.16 5.97 0.00 -1.26 -4.52 121.76 123.81 1iv3 s ALA 233 Ca 0.32 0.29 0.17 0.00 0.00 0.00 0.00 51.96 52.74 1iv3 s ALA 233 Cb -0.12 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1iv3 s ALA 233 CO 0.23 -0.87 1.07 0.45 0.00 0.00 0.00 175.76 176.64 1iv3 h HIS 234 N 2.00 0.00 -4.59 0.00 3.86 -2.03 -3.45 115.15 110.93 1iv3 h HIS 234 Ca -0.27 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.54 1iv3 h HIS 234 Cb 1.27 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.85 1iv3 h HIS 234 CO 0.31 0.46 0.22 -1.13 0.86 0.00 0.00 177.93 178.65 1iv3 n SER 235 N -2.97 0.73 0.00 2.45 3.41 -1.26 -4.75 113.62 111.23 1iv3 n SER 235 Ca -0.04 -1.77 0.09 0.00 -0.26 0.00 0.00 58.87 56.90 1iv3 n SER 235 Cb 0.76 -0.72 0.45 0.00 -0.26 0.00 0.00 64.21 64.45 1iv3 n SER 235 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv3 n ASP 236 N -3.28 0.00 -1.10 4.04 3.85 -1.26 -4.91 116.55 113.90 1iv3 n ASP 236 Ca 0.15 0.23 -0.14 0.00 -0.71 0.00 0.00 54.79 54.32 1iv3 n ASP 236 Cb 0.52 -0.38 -0.05 0.00 -1.35 0.00 0.00 41.12 39.86 1iv3 n ASP 236 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv3 n GLY 237 N 0.42 1.25 3.56 6.12 0.00 -1.26 -4.47 105.19 110.80 1iv3 n GLY 237 Ca 0.07 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1iv3 n GLY 237 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv3 s ASP 238 N -2.81 5.86 0.40 1.61 -1.08 -1.26 -4.81 116.67 114.59 1iv3 s ASP 238 Ca 0.00 -0.73 0.08 0.00 -0.52 0.00 0.00 52.55 51.38 1iv3 s ASP 238 Cb 0.00 -2.56 0.84 0.00 -1.46 0.00 0.00 42.92 39.74 1iv3 s ASP 238 CO 0.00 -2.06 2.00 0.00 0.52 0.00 0.00 175.17 175.63 1iv3 h ALA 239 N 11.11 1.63 0.20 3.66 0.00 -1.91 -1.30 119.26 132.65 1iv3 h ALA 239 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iv3 h ALA 239 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1iv3 h ALA 239 CO 1.30 0.29 -0.10 0.00 0.00 0.00 0.00 179.25 180.75 1iv3 h ALA 240 N 1.70 -0.27 -0.60 0.00 0.00 -1.88 -0.12 119.26 118.11 1iv3 h ALA 240 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1iv3 h ALA 240 Cb 0.12 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1iv3 h ALA 240 CO -0.01 -0.57 0.36 0.52 0.00 0.00 0.00 179.25 179.56 1iv3 h MET 241 N -0.43 0.69 -0.34 0.00 2.86 -1.82 -1.67 114.93 114.22 1iv3 h MET 241 Ca -0.03 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1iv3 h MET 241 Cb 0.33 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1iv3 h MET 241 CO 0.04 0.46 0.07 0.45 1.06 0.00 0.00 176.91 178.99 1iv3 h HIS 242 N 0.71 0.59 -0.66 -0.22 3.86 -1.10 0.08 115.15 118.40 1iv3 h HIS 242 Ca 0.24 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1iv3 h HIS 242 Cb 0.03 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1iv3 h HIS 242 CO -0.06 0.61 0.37 0.00 0.86 0.00 0.00 177.93 179.72 1iv3 h ALA 243 N 0.91 0.85 -0.51 2.45 0.00 -0.82 -0.60 119.26 121.54 1iv3 h ALA 243 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1iv3 h ALA 243 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1iv3 h ALA 243 CO 0.00 0.36 -0.07 -0.07 0.00 0.00 0.00 179.25 179.47 1iv3 h LEU 244 N 0.91 0.90 0.04 0.00 3.38 -1.12 -0.93 115.31 118.48 1iv3 h LEU 244 Ca 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iv3 h LEU 244 Cb 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1iv3 h LEU 244 CO -0.04 1.00 -0.02 0.74 0.09 0.00 0.00 178.44 180.21 1iv3 h THR 245 N 0.82 1.11 -0.76 0.22 2.02 -0.59 -1.04 112.91 114.69 1iv3 h THR 245 Ca 0.14 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.90 1iv3 h THR 245 Cb 0.59 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 1iv3 h THR 245 CO 0.04 0.12 0.45 0.44 0.37 0.00 0.00 175.52 176.94 1iv3 h ASP 246 N -0.26 0.69 -0.90 4.18 3.32 -1.04 -0.70 116.42 121.70 1iv3 h ASP 246 Ca -0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1iv3 h ASP 246 Cb 0.24 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1iv3 h ASP 246 CO 0.01 0.44 0.56 0.00 -1.72 0.00 0.00 179.24 178.52 1iv3 h ALA 247 N 1.38 1.14 -0.20 3.45 0.00 -0.89 0.20 119.26 124.34 1iv3 h ALA 247 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1iv3 h ALA 247 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1iv3 h ALA 247 CO -0.18 0.59 0.05 -0.07 0.00 0.00 0.00 179.25 179.64 1iv3 h LEU 248 N 1.23 0.31 -0.87 0.00 3.38 -0.68 -1.81 115.31 116.88 1iv3 h LEU 248 Ca 0.32 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1iv3 h LEU 248 Cb -0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1iv3 h LEU 248 CO -0.06 0.45 0.57 -0.07 0.09 0.00 0.00 178.44 179.41 1iv3 h LEU 249 N 0.15 0.95 -1.25 1.67 3.38 -0.85 -2.75 115.31 116.62 1iv3 h LEU 249 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1iv3 h LEU 249 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1iv3 h LEU 249 CO 0.00 0.66 -0.03 -1.28 0.09 0.00 0.00 178.44 177.89 1iv3 h SER 250 N 1.12 0.45 0.39 -0.43 0.87 -0.32 -0.89 113.55 114.73 1iv3 h SER 250 Ca 0.34 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1iv3 h SER 250 Cb -0.03 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1iv3 h SER 250 CO -0.10 0.54 0.00 0.00 -0.53 0.00 0.00 176.83 176.73 1iv3 h ALA 251 N 1.52 1.00 0.00 6.23 0.00 -1.01 -0.86 119.26 126.13 1iv3 h ALA 251 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1iv3 h ALA 251 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1iv3 h ALA 251 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92 1iv3 n TYR 252 N -2.63 0.00 -2.13 0.00 4.02 -0.85 -4.73 117.16 110.84 1iv3 n TYR 252 Ca -0.01 -0.45 -0.14 0.00 -0.01 0.00 0.00 57.90 57.29 1iv3 n TYR 252 Cb 0.15 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 1iv3 n TYR 252 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv3 n GLY 253 N -0.45 0.05 0.09 2.72 0.00 -0.33 -4.89 105.19 102.38 1iv3 n GLY 253 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1iv3 n GLY 253 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv3 n LEU 254 N -1.95 0.35 0.00 0.99 4.77 -0.45 -5.00 117.00 115.69 1iv3 n LEU 254 Ca -0.16 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1iv3 n LEU 254 Cb 0.60 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1iv3 n LEU 254 CO 0.20 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1iv3 n GLY 255 N 1.26 0.16 3.57 -0.72 0.00 -1.26 -4.96 105.19 103.24 1iv3 n GLY 255 Ca 0.15 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 1iv3 n GLY 255 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv3 s ASP 256 N -4.00 0.76 0.49 1.61 1.47 -1.26 -4.27 116.67 111.47 1iv3 s ASP 256 Ca 0.00 -1.44 0.27 0.00 1.18 0.00 0.00 52.55 52.56 1iv3 s ASP 256 Cb 0.00 0.72 1.18 0.00 -0.34 0.00 0.00 42.92 44.48 1iv3 s ASP 256 CO 0.00 -1.42 1.93 0.16 0.68 0.00 0.00 175.17 176.52 1iv3 h ILE 257 N 2.06 0.47 -0.64 2.11 3.07 -1.93 -0.81 117.51 121.85 1iv3 h ILE 257 Ca -0.29 -0.84 -0.06 0.00 1.55 0.00 0.00 64.86 65.22 1iv3 h ILE 257 Cb 1.24 1.59 -0.03 0.00 -0.27 0.00 0.00 36.82 39.35 1iv3 h ILE 257 CO 0.39 0.16 0.15 1.23 -1.05 0.00 0.00 178.15 179.03 1iv3 h GLY 258 N 1.65 1.08 0.61 0.16 0.00 -1.96 0.18 103.07 104.78 1iv3 h GLY 258 Ca -0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 1iv3 h GLY 258 CO 0.02 0.61 -0.49 -2.00 0.00 0.00 0.00 176.54 174.68 1iv3 h LEU 259 N 0.96 0.39 0.00 3.11 5.85 -1.67 -3.35 115.31 120.59 1iv3 h LEU 259 Ca 0.20 -0.82 -0.22 0.00 0.84 0.00 0.00 57.88 57.89 1iv3 h LEU 259 Cb 0.34 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1iv3 h LEU 259 CO 0.00 1.16 -1.56 0.18 -0.34 0.00 0.00 178.44 177.88 1iv3 n LEU 260 N -4.32 0.82 -2.76 2.25 4.77 -0.42 -4.44 117.00 112.90 1iv3 n LEU 260 Ca -0.11 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 1iv3 n LEU 260 Cb 0.63 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1iv3 n LEU 260 CO 0.44 0.24 0.06 0.49 -1.33 0.00 0.00 177.39 177.29 1iv3 n PHE 261 N -2.93 2.72 -1.82 -1.77 3.72 0.05 -5.04 117.46 112.38 1iv3 n PHE 261 Ca -0.13 -3.44 -0.32 0.00 -0.05 0.00 0.00 57.45 53.51 1iv3 n PHE 261 Cb 0.92 -0.31 0.03 0.00 -0.94 0.00 0.00 39.48 39.18 1iv3 n PHE 261 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv3 s PRO 262 N -3.28 3.08 0.00 -1.08 0.04 -1.25 -4.82 135.00 127.69 1iv3 s PRO 262 Ca 0.43 1.14 0.21 0.00 0.04 0.00 0.00 61.00 62.83 1iv3 s PRO 262 Cb 0.37 -2.00 1.21 0.00 0.04 0.00 0.00 34.50 34.11 1iv3 s PRO 262 CO -0.12 -0.99 1.66 -0.40 0.04 0.00 0.00 177.00 177.18 1iv3 n ASP 263 N -2.50 0.00 0.02 6.66 5.75 -1.26 -1.69 116.55 123.53 1iv3 n ASP 263 Ca 0.09 -0.48 -0.07 0.00 -0.01 0.00 0.00 54.79 54.32 1iv3 n ASP 263 Cb 0.53 -0.08 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 1iv3 n ASP 263 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1iv3 h THR 264 N 0.00 1.14 -3.65 2.12 1.35 -1.99 -3.44 112.91 108.44 1iv3 h THR 264 Ca 0.00 -2.91 -0.60 0.00 -0.55 0.00 0.00 66.41 62.35 1iv3 h THR 264 Cb 0.06 2.55 -0.10 0.00 -1.73 0.00 0.00 68.15 68.93 1iv3 h THR 264 CO 0.00 0.65 0.60 -0.62 -0.25 0.00 0.00 175.52 175.90 1iv3 s ASP 265 N -6.31 6.52 0.48 5.36 -1.08 -0.68 -4.94 116.67 116.02 1iv3 s ASP 265 Ca -0.02 0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.38 1iv3 s ASP 265 Cb 0.09 -2.45 1.24 0.00 -1.46 0.00 0.00 42.92 40.33 1iv3 s ASP 265 CO 0.82 -1.04 1.96 -0.65 0.52 0.00 0.00 175.17 176.77 1iv3 h PRO 266 N 9.04 0.19 0.00 4.34 0.11 -1.87 -1.53 132.00 142.28 1iv3 h PRO 266 Ca -0.24 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 1iv3 h PRO 266 Cb 1.08 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1iv3 h PRO 266 CO 1.03 0.12 -0.14 0.00 -0.21 0.00 0.00 178.00 178.80 1iv3 h ARG 267 N 0.19 0.00 0.00 1.05 3.08 -1.94 -3.19 114.38 113.58 1iv3 h ARG 267 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 1iv3 h ARG 267 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1iv3 h ARG 267 CO -0.06 0.14 -1.72 0.91 -1.07 0.00 0.00 179.97 178.17 1iv3 n TRP 268 N -3.96 0.00 -2.09 3.04 5.03 -0.64 -4.86 117.44 113.95 1iv3 n TRP 268 Ca -0.02 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.08 1iv3 n TRP 268 Cb 0.23 -0.38 -0.03 0.00 -1.03 0.00 0.00 31.31 30.10 1iv3 n TRP 268 CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 1iv3 s ARG 269 N -2.97 4.17 0.00 -0.99 3.52 -0.78 -2.19 118.95 119.71 1iv3 s ARG 269 Ca -0.06 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 1iv3 s ARG 269 Cb 0.09 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 1iv3 s ARG 269 CO 0.62 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1iv3 n GLY 270 N 4.06 1.27 3.82 8.12 0.00 -1.26 -5.00 105.19 116.20 1iv3 n GLY 270 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1iv3 n GLY 270 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv3 s GLU 271 N -0.43 3.70 0.61 1.61 0.41 -0.93 -5.02 118.70 118.65 1iv3 s GLU 271 Ca 0.00 1.09 -0.14 0.00 -0.41 0.00 0.00 54.97 55.52 1iv3 s GLU 271 Cb 0.00 -2.09 -0.03 0.00 -1.78 0.00 0.00 34.13 30.22 1iv3 s GLU 271 CO 0.00 -0.49 1.04 -0.98 -0.49 0.00 0.00 175.26 174.34 1iv3 s ARG 272 N -3.97 3.39 0.57 1.61 1.70 -1.26 -4.71 118.95 116.29 1iv3 s ARG 272 Ca 0.62 0.99 0.35 0.00 -0.47 0.00 0.00 55.73 57.22 1iv3 s ARG 272 Cb -0.13 -2.05 1.62 0.00 -0.57 0.00 0.00 34.95 33.82 1iv3 s ARG 272 CO 0.32 -0.73 2.08 0.77 -1.08 0.00 0.00 175.30 176.65 1iv3 h SER 273 N 0.05 0.00 0.03 -2.89 0.02 -1.96 0.92 113.55 109.72 1iv3 h SER 273 Ca -0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1iv3 h SER 273 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1iv3 h SER 273 CO 0.59 0.02 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.21 1iv3 h GLU 274 N 0.00 0.00 -0.53 3.45 4.81 -1.96 -0.88 114.58 119.48 1iv3 h GLU 274 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1iv3 h GLU 274 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1iv3 h GLU 274 CO 0.00 0.01 -0.08 0.28 -0.73 0.00 0.00 179.01 178.49 1iv3 h VAL 275 N 0.00 1.27 -0.31 0.32 2.07 -1.17 -1.23 116.25 117.20 1iv3 h VAL 275 Ca -0.00 -1.22 -0.13 0.00 0.82 0.00 0.00 66.70 66.17 1iv3 h VAL 275 Cb 0.03 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1iv3 h VAL 275 CO 0.00 0.43 -0.32 -0.26 0.02 0.00 0.00 177.57 177.44 1iv3 h PHE 276 N 0.85 0.77 -0.35 1.57 0.04 -1.30 -1.56 116.94 116.97 1iv3 h PHE 276 Ca 0.14 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1iv3 h PHE 276 Cb 0.64 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1iv3 h PHE 276 CO 0.05 0.90 0.18 1.25 -0.60 0.00 0.00 178.31 180.09 1iv3 h LEU 277 N 0.56 0.46 -1.37 1.54 5.85 -1.21 0.20 115.31 121.35 1iv3 h LEU 277 Ca 0.06 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1iv3 h LEU 277 Cb 0.83 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1iv3 h LEU 277 CO 0.07 0.44 -0.18 0.03 -0.34 0.00 0.00 178.44 178.46 1iv3 h ARG 278 N 0.44 0.20 -0.31 1.25 3.08 -1.11 0.16 114.38 118.09 1iv3 h ARG 278 Ca 0.12 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 1iv3 h ARG 278 Cb 0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1iv3 h ARG 278 CO -0.02 0.38 -0.48 1.49 -1.07 0.00 0.00 179.97 180.27 1iv3 h GLU 279 N 0.19 0.87 -0.78 0.04 4.57 -0.91 -0.22 114.58 118.34 1iv3 h GLU 279 Ca 0.04 -0.52 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1iv3 h GLU 279 Cb 0.43 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1iv3 h GLU 279 CO 0.03 1.16 0.41 0.00 -1.18 0.00 0.00 179.01 179.43 1iv3 h ALA 280 N 0.70 1.00 -0.79 2.92 0.00 -0.21 -0.36 119.26 122.52 1iv3 h ALA 280 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1iv3 h ALA 280 Cb 1.09 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1iv3 h ALA 280 CO 0.11 0.53 0.52 0.52 0.00 0.00 0.00 179.25 180.93 1iv3 h MET 281 N 1.09 1.03 -0.60 0.00 2.86 -0.58 -0.50 114.93 118.22 1iv3 h MET 281 Ca 0.27 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1iv3 h MET 281 Cb 0.06 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 1iv3 h MET 281 CO -0.04 0.68 0.39 -0.09 1.06 0.00 0.00 176.91 178.91 1iv3 h ARG 282 N 1.06 0.77 -0.42 1.72 2.43 -0.12 0.62 114.38 120.44 1iv3 h ARG 282 Ca 0.29 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1iv3 h ARG 282 Cb -0.11 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 1iv3 h ARG 282 CO -0.07 0.51 0.07 -0.07 -1.51 0.00 0.00 179.97 178.91 1iv3 h LEU 283 N 0.80 0.67 -0.37 3.80 3.38 -0.65 -1.39 115.31 121.55 1iv3 h LEU 283 Ca 0.23 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1iv3 h LEU 283 Cb -0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1iv3 h LEU 283 CO -0.06 0.75 -0.82 -0.37 0.09 0.00 0.00 178.44 178.03 1iv3 h VAL 284 N 0.56 1.55 -0.18 1.22 -1.51 -0.97 -2.81 116.25 114.10 1iv3 h VAL 284 Ca 0.13 -2.69 -0.06 0.00 -1.23 0.00 0.00 66.70 62.85 1iv3 h VAL 284 Cb 0.37 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.98 1iv3 h VAL 284 CO 0.01 0.77 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.61 1iv3 h GLU 285 N 0.04 0.30 0.00 5.19 5.08 -0.72 -0.50 114.58 123.97 1iv3 h GLU 285 Ca -0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1iv3 h GLU 285 Cb 1.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1iv3 h GLU 285 CO 0.11 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1iv3 n ALA 286 N -2.48 1.80 -0.38 3.43 0.00 -0.54 -1.55 120.51 120.79 1iv3 n ALA 286 Ca -0.00 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1iv3 n ALA 286 Cb 0.32 -1.38 0.31 0.00 0.00 0.00 0.00 19.45 18.70 1iv3 n ALA 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iv3 n ARG 287 N -2.07 2.86 -0.26 0.00 1.74 -0.60 -4.92 116.66 113.41 1iv3 n ARG 287 Ca 0.03 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.49 1iv3 n ARG 287 Cb 0.26 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1iv3 n ARG 287 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv3 n GLY 288 N 1.45 0.82 3.76 -0.13 0.00 -0.60 -5.06 105.19 105.44 1iv3 n GLY 288 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1iv3 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv3 s ALA 289 N -2.12 3.03 -0.35 4.61 0.00 -0.30 -4.98 121.76 121.66 1iv3 s ALA 289 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1iv3 s ALA 289 Cb 0.00 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1iv3 s ALA 289 CO 0.00 -0.88 0.11 0.15 0.00 0.00 0.00 175.76 175.15 1iv3 s LYS 290 N -2.58 1.15 0.05 0.00 3.01 -1.26 -4.56 119.74 115.54 1iv3 s LYS 290 Ca 0.63 -1.60 -0.34 0.00 -1.01 0.00 0.00 55.97 53.65 1iv3 s LYS 290 Cb -0.34 -2.56 -0.13 0.00 -1.01 0.00 0.00 37.83 33.79 1iv3 s LYS 290 CO 0.42 -1.00 1.71 -0.11 0.51 0.00 0.00 175.35 176.88 1iv3 n LEU 291 N 4.33 3.21 -0.08 3.17 7.94 -1.26 -0.16 117.00 134.14 1iv3 n LEU 291 Ca 0.02 1.04 -0.12 0.00 -1.11 0.00 0.00 56.01 55.84 1iv3 n LEU 291 Cb 0.40 -1.39 -0.08 0.00 0.53 0.00 0.00 43.42 42.88 1iv3 n LEU 291 CO 0.19 -0.20 -1.05 0.18 -1.11 0.00 0.00 177.39 175.39 1iv3 n LEU 292 N 4.83 2.97 -3.53 -1.96 4.32 -0.17 -4.88 117.00 118.59 1iv3 n LEU 292 Ca 0.20 -0.09 -0.18 0.00 -0.02 0.00 0.00 56.01 55.92 1iv3 n LEU 292 Cb 0.29 -0.58 -0.06 0.00 -1.62 0.00 0.00 43.42 41.44 1iv3 n LEU 292 CO 0.68 0.78 0.45 -1.58 -1.22 0.00 0.00 177.39 176.50 1iv3 s GLN 293 N -2.34 1.03 -0.03 3.23 0.74 -0.94 -4.86 119.66 116.50 1iv3 s GLN 293 Ca -0.23 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.48 1iv3 s GLN 293 Cb 0.06 0.49 0.03 0.00 1.10 0.00 0.00 33.01 34.68 1iv3 s GLN 293 CO 0.39 -0.31 -0.01 0.00 -0.55 0.00 0.00 175.29 174.80 1iv3 s ALA 294 N -1.11 0.43 -0.12 1.58 0.00 -0.65 -1.29 121.76 120.61 1iv3 s ALA 294 Ca -0.10 0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1iv3 s ALA 294 Cb -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1iv3 s ALA 294 CO 0.09 -0.07 -0.12 0.45 0.00 0.00 0.00 175.76 176.10 1iv3 s SER 295 N 1.03 2.35 0.08 0.00 0.15 -0.01 -0.26 113.70 117.05 1iv3 s SER 295 Ca -0.10 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.09 1iv3 s SER 295 Cb -0.14 -1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 1iv3 s SER 295 CO -0.01 -0.04 0.15 -1.48 1.20 0.00 0.00 173.24 173.06 1iv3 s LEU 296 N 1.29 1.59 -0.11 3.45 2.34 0.19 -0.48 118.68 126.95 1iv3 s LEU 296 Ca -0.01 -0.68 0.03 0.00 0.06 0.00 0.00 54.13 53.52 1iv3 s LEU 296 Cb -0.14 0.89 0.01 0.00 -0.56 0.00 0.00 46.19 46.39 1iv3 s LEU 296 CO -0.05 -0.69 -0.19 -0.69 -1.06 0.00 0.00 176.35 173.66 1iv3 s VAL 297 N -3.76 1.77 -0.20 1.48 1.01 -0.27 -1.61 120.40 118.83 1iv3 s VAL 297 Ca 0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1iv3 s VAL 297 Cb 0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1iv3 s VAL 297 CO -0.10 0.50 0.02 -0.76 0.00 0.00 0.00 175.10 174.75 1iv3 s LEU 298 N 0.66 3.40 -0.20 3.92 1.43 -0.46 -1.87 118.68 125.55 1iv3 s LEU 298 Ca -0.12 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1iv3 s LEU 298 Cb -0.16 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1iv3 s LEU 298 CO 0.03 0.09 -0.17 -0.89 0.23 0.00 0.00 176.35 175.64 1iv3 s THR 299 N 0.87 2.17 -0.12 5.49 2.01 0.07 -0.57 115.64 125.56 1iv3 s THR 299 Ca 0.02 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 1iv3 s THR 299 Cb -0.14 -1.99 0.09 0.00 0.01 0.00 0.00 72.50 70.47 1iv3 s THR 299 CO 0.02 0.42 0.82 -1.48 -0.69 0.00 0.00 174.62 173.71 1iv3 s LEU 300 N 1.27 -0.55 0.13 4.42 2.34 -0.22 -0.88 118.68 125.18 1iv3 s LEU 300 Ca 0.02 0.68 0.13 0.00 0.06 0.00 0.00 54.13 55.03 1iv3 s LEU 300 Cb -0.14 2.25 -0.10 0.00 -0.56 0.00 0.00 46.19 47.64 1iv3 s LEU 300 CO -0.11 -0.45 1.11 0.44 -1.06 0.00 0.00 176.35 176.28 1iv3 h ASP 301 N 3.09 0.00 -5.04 1.48 5.19 -1.82 -3.36 116.42 115.96 1iv3 h ASP 301 Ca -0.24 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.11 1iv3 h ASP 301 Cb 1.15 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.51 1iv3 h ASP 301 CO 0.31 0.70 -0.04 0.00 -3.12 0.00 0.00 179.24 177.10 1iv3 s ARG 302 N -2.85 1.02 0.79 3.56 1.70 -1.26 -4.77 118.95 117.15 1iv3 s ARG 302 Ca 0.00 -0.46 -0.13 0.00 -0.47 0.00 0.00 55.73 54.67 1iv3 s ARG 302 Cb 0.08 0.46 0.18 0.00 -0.57 0.00 0.00 34.95 35.10 1iv3 s ARG 302 CO 0.79 -0.38 1.08 -0.35 -1.08 0.00 0.00 175.30 175.36 1iv3 n PRO 303 N 0.17 -1.02 -2.48 3.89 -0.04 -1.26 -4.92 135.00 129.35 1iv3 n PRO 303 Ca -0.17 -1.71 -0.42 0.00 -0.04 0.00 0.00 63.50 61.16 1iv3 n PRO 303 Cb 0.62 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.95 1iv3 n PRO 303 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1iv3 s LYS 304 N -5.34 4.51 0.11 0.54 1.02 -1.26 -4.93 119.74 114.39 1iv3 s LYS 304 Ca 0.61 1.73 0.23 0.00 0.02 0.00 0.00 55.97 58.56 1iv3 s LYS 304 Cb -0.02 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1iv3 s LYS 304 CO 0.43 -0.10 0.93 1.28 -0.92 0.00 0.00 175.35 176.98 1iv3 n LEU 305 N 3.18 0.60 -0.34 3.17 4.77 -1.26 -4.51 117.00 122.61 1iv3 n LEU 305 Ca 0.06 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1iv3 n LEU 305 Cb 0.46 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1iv3 n LEU 305 CO 0.55 -0.08 0.58 1.23 -1.33 0.00 0.00 177.39 178.34 1iv3 h GLY 306 N 4.17 -0.10 1.89 -0.72 0.00 -2.00 0.34 103.07 106.65 1iv3 h GLY 306 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1iv3 h GLY 306 CO 0.00 -0.18 0.04 -2.55 0.00 0.00 0.00 176.54 173.86 1iv3 h PRO 307 N -0.05 0.00 -0.37 4.80 0.11 -2.02 -1.96 132.00 132.51 1iv3 h PRO 307 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1iv3 h PRO 307 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1iv3 h PRO 307 CO -0.90 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.61 1iv3 n HIS 308 N -2.32 0.49 -0.17 0.65 8.25 0.12 -4.71 115.22 117.53 1iv3 n HIS 308 Ca -0.02 -0.42 -0.03 0.00 -0.26 0.00 0.00 57.72 56.99 1iv3 n HIS 308 Cb 0.08 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.24 1iv3 n HIS 308 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv3 h ARG 309 N 2.60 0.40 -0.28 -0.41 2.43 -1.10 -1.31 114.38 116.71 1iv3 h ARG 309 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1iv3 h ARG 309 Cb 0.76 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1iv3 h ARG 309 CO 0.00 0.26 0.15 -0.22 -1.51 0.00 0.00 179.97 178.66 1iv3 h LYS 310 N 0.41 0.39 -0.46 0.20 3.64 -1.84 -1.14 116.57 117.76 1iv3 h LYS 310 Ca 0.24 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1iv3 h LYS 310 Cb 0.22 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1iv3 h LYS 310 CO -0.22 0.34 -0.18 0.00 -2.27 0.00 0.00 179.45 177.12 1iv3 h ALA 311 N 1.03 0.65 -0.32 5.00 0.00 -1.85 0.13 119.26 123.90 1iv3 h ALA 311 Ca 0.10 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1iv3 h ALA 311 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1iv3 h ALA 311 CO -0.02 0.61 0.19 -0.07 0.00 0.00 0.00 179.25 179.96 1iv3 h LEU 312 N 0.79 0.31 -0.39 0.00 3.38 -1.08 0.76 115.31 119.07 1iv3 h LEU 312 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1iv3 h LEU 312 Cb 0.75 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1iv3 h LEU 312 CO 0.06 0.23 -0.23 0.58 0.09 0.00 0.00 178.44 179.17 1iv3 h VAL 313 N 0.39 1.28 -1.00 1.22 2.07 -1.05 -1.61 116.25 117.54 1iv3 h VAL 313 Ca 0.12 -1.38 0.09 0.00 0.82 0.00 0.00 66.70 66.35 1iv3 h VAL 313 Cb -0.01 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1iv3 h VAL 313 CO -0.05 0.46 0.64 0.44 0.02 0.00 0.00 177.57 179.08 1iv3 h ASP 314 N 0.66 0.99 -0.14 0.57 3.32 -0.60 0.60 116.42 121.82 1iv3 h ASP 314 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1iv3 h ASP 314 Cb 0.79 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1iv3 h ASP 314 CO 0.07 0.59 0.03 -1.28 -1.72 0.00 0.00 179.24 176.93 1iv3 h SER 315 N 1.10 0.21 -0.71 6.45 0.87 -0.36 -0.13 113.55 120.97 1iv3 h SER 315 Ca 0.46 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1iv3 h SER 315 Cb 0.29 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1iv3 h SER 315 CO -0.21 0.40 0.30 -0.07 -0.53 0.00 0.00 176.83 176.72 1iv3 h LEU 316 N 0.01 0.98 -0.66 2.23 3.38 -0.91 0.02 115.31 120.36 1iv3 h LEU 316 Ca 0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1iv3 h LEU 316 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1iv3 h LEU 316 CO 0.00 0.86 0.13 -1.28 0.09 0.00 0.00 178.44 178.24 1iv3 h SER 317 N 1.05 1.03 -0.22 -0.43 0.87 -0.70 -1.28 113.55 113.87 1iv3 h SER 317 Ca 0.24 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1iv3 h SER 317 Cb 0.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1iv3 h SER 317 CO -0.02 1.02 -0.11 -0.09 -0.53 0.00 0.00 176.83 177.10 1iv3 h ARG 318 N 1.01 0.46 -0.34 2.24 2.43 -0.63 -0.53 114.38 119.01 1iv3 h ARG 318 Ca 0.20 -0.20 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1iv3 h ARG 318 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1iv3 h ARG 318 CO 0.01 0.74 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.80 1iv3 h LEU 319 N 0.16 0.80 -1.21 3.80 4.07 -0.93 -3.17 115.31 118.82 1iv3 h LEU 319 Ca 0.05 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1iv3 h LEU 319 Cb 0.61 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1iv3 h LEU 319 CO 0.03 1.06 -0.15 0.23 -1.08 0.00 0.00 178.44 178.54 1iv3 n MET 320 N -4.06 1.65 -3.77 1.13 2.81 -0.49 -4.96 117.12 109.42 1iv3 n MET 320 Ca -0.01 -1.21 -0.23 0.00 -1.81 0.00 0.00 57.70 54.43 1iv3 n MET 320 Cb 0.50 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.56 1iv3 n MET 320 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv3 n ARG 321 N 0.38 -4.74 -4.85 0.03 1.74 -0.27 -5.01 116.66 103.95 1iv3 n ARG 321 Ca 0.14 0.58 -0.30 0.00 -0.77 0.00 0.00 57.85 57.50 1iv3 n ARG 321 Cb 0.46 -5.12 -0.14 0.00 -1.02 0.00 0.00 32.46 26.64 1iv3 n ARG 321 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv3 s LEU 322 N -6.80 2.27 0.80 0.55 1.43 -0.85 -5.04 118.68 111.05 1iv3 s LEU 322 Ca 0.09 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1iv3 s LEU 322 Cb -0.05 -1.34 0.08 0.00 0.03 0.00 0.00 46.19 44.91 1iv3 s LEU 322 CO 0.83 0.26 1.11 -2.16 0.23 0.00 0.00 176.35 176.62 1iv3 s PRO 323 N -1.28 1.93 0.54 1.29 0.04 -1.26 -4.56 135.00 131.70 1iv3 s PRO 323 Ca 0.12 1.32 0.32 0.00 0.04 0.00 0.00 61.00 62.80 1iv3 s PRO 323 Cb -0.10 -1.85 1.49 0.00 0.04 0.00 0.00 34.50 34.08 1iv3 s PRO 323 CO 0.03 -1.91 2.05 1.96 0.04 0.00 0.00 177.00 179.17 1iv3 h GLN 324 N -1.23 0.00 0.00 4.56 4.20 -1.95 -0.40 115.11 120.30 1iv3 h GLN 324 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1iv3 h GLN 324 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1iv3 h GLN 324 CO 0.49 0.08 0.00 -0.40 -0.67 0.00 0.00 178.83 178.32 1iv3 n ASP 325 N -3.32 0.00 -0.75 1.46 5.68 -1.26 -2.51 116.55 115.84 1iv3 n ASP 325 Ca -0.01 -0.33 0.07 0.00 -0.50 0.00 0.00 54.79 54.02 1iv3 n ASP 325 Cb 0.27 -0.21 0.16 0.00 -1.14 0.00 0.00 41.12 40.20 1iv3 n ASP 325 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv3 n ARG 326 N -1.21 2.39 -3.66 0.11 5.12 -0.16 -4.82 116.66 114.43 1iv3 n ARG 326 Ca 0.16 -2.00 -0.39 0.00 -1.93 0.00 0.00 57.85 53.69 1iv3 n ARG 326 Cb 0.20 -1.33 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 1iv3 n ARG 326 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv3 s ILE 327 N -1.04 4.21 -0.54 0.55 -1.09 -1.05 -1.64 121.20 120.60 1iv3 s ILE 327 Ca 0.26 -1.05 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 1iv3 s ILE 327 Cb 0.14 -3.39 0.14 0.00 -1.58 0.00 0.00 42.46 37.77 1iv3 s ILE 327 CO 0.19 -0.25 0.40 -0.83 -1.23 0.00 0.00 174.94 173.22 1iv3 s GLY 328 N 1.56 2.21 -0.18 6.18 0.00 0.65 -4.99 107.32 112.75 1iv3 s GLY 328 Ca 0.01 -2.79 -0.02 0.00 0.00 0.00 0.00 44.72 41.91 1iv3 s GLY 328 CO 0.05 1.12 -0.08 -2.27 0.00 0.00 0.00 173.10 171.91 1iv3 s LEU 329 N 0.87 2.81 0.08 0.66 2.96 -1.26 0.56 118.68 125.37 1iv3 s LEU 329 Ca 0.10 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1iv3 s LEU 329 Cb -0.23 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1iv3 s LEU 329 CO -0.03 0.06 -0.15 0.42 -1.32 0.00 0.00 176.35 175.33 1iv3 s THR 330 N 1.00 1.24 -0.06 3.68 -4.23 -0.63 -4.99 115.64 111.64 1iv3 s THR 330 Ca -0.01 -1.41 0.05 0.00 -1.18 0.00 0.00 61.69 59.15 1iv3 s THR 330 Cb -0.15 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 1iv3 s THR 330 CO -0.01 -0.23 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.27 1iv3 s PHE 331 N -1.39 2.53 0.06 3.99 0.08 -1.26 -1.36 117.98 120.63 1iv3 s PHE 331 Ca 0.01 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1iv3 s PHE 331 Cb -0.09 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1iv3 s PHE 331 CO 0.03 -0.08 -0.05 0.15 -0.10 0.00 0.00 175.22 175.17 1iv3 s LYS 332 N -0.34 0.62 0.38 0.44 -0.14 0.26 -4.97 119.74 115.99 1iv3 s LYS 332 Ca 0.02 -1.08 0.05 0.00 -1.36 0.00 0.00 55.97 53.60 1iv3 s LYS 332 Cb -0.12 -0.02 -0.00 0.00 -1.68 0.00 0.00 37.83 36.00 1iv3 s LYS 332 CO 0.02 -0.05 0.54 0.95 -0.76 0.00 0.00 175.35 176.06 1iv3 s THR 333 N -3.00 3.95 -2.27 2.17 -4.23 -1.26 -1.06 115.64 109.94 1iv3 s THR 333 Ca 0.02 -0.85 0.28 0.00 -1.18 0.00 0.00 61.69 59.96 1iv3 s THR 333 Cb 0.01 -3.39 0.51 0.00 1.34 0.00 0.00 72.50 70.97 1iv3 s THR 333 CO -0.05 -0.19 1.75 -1.54 -0.54 0.00 0.00 174.62 174.05 1iv3 n SER 334 N -1.79 1.25 -3.55 3.99 3.41 -1.26 -4.77 113.62 110.89 1iv3 n SER 334 Ca 0.01 -1.29 -0.26 0.00 -0.26 0.00 0.00 58.87 57.07 1iv3 n SER 334 Cb 0.58 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1iv3 n SER 334 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv3 n GLU 335 N -0.13 -5.28 -0.13 4.33 -0.58 -1.26 -1.67 120.64 115.91 1iv3 n GLU 335 Ca 0.18 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.59 1iv3 n GLU 335 Cb 0.33 -5.55 0.00 0.00 -0.57 0.00 0.00 31.44 25.66 1iv3 n GLU 335 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv3 n GLY 336 N -1.59 1.64 0.23 0.62 0.00 -1.26 -4.89 105.19 99.94 1iv3 n GLY 336 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1iv3 n GLY 336 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv3 h LEU 337 N 0.00 0.56 -5.69 0.99 5.85 -1.73 -3.38 115.31 111.90 1iv3 h LEU 337 Ca 0.00 -0.22 -0.45 0.00 0.84 0.00 0.00 57.88 58.04 1iv3 h LEU 337 Cb 0.00 -0.15 -0.31 0.00 0.37 0.00 0.00 40.66 40.56 1iv3 h LEU 337 CO 0.00 0.86 -0.93 0.00 -0.34 0.00 0.00 178.44 178.03 1iv3 n ALA 338 N -2.50 1.25 0.94 1.25 0.00 -1.26 -4.97 120.51 115.22 1iv3 n ALA 338 Ca -0.01 -2.79 0.11 0.00 0.00 0.00 0.00 53.44 50.75 1iv3 n ALA 338 Cb 0.47 -0.97 0.53 0.00 0.00 0.00 0.00 19.45 19.48 1iv3 n ALA 338 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1iv3 n PRO 339 N 1.37 0.19 -0.07 0.00 -0.04 -1.26 -3.06 135.00 132.13 1iv3 n PRO 339 Ca 0.18 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 1iv3 n PRO 339 Cb 0.57 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1iv3 n PRO 339 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1iv3 n SER 340 N -1.37 2.34 -4.18 3.54 7.64 -1.26 -4.73 113.62 115.61 1iv3 n SER 340 Ca 0.09 -2.52 -0.14 0.00 1.01 0.00 0.00 58.87 57.30 1iv3 n SER 340 Cb 0.21 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1iv3 n SER 340 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv3 s HIS 341 N -1.91 1.04 -0.11 1.43 3.76 -1.17 0.01 115.29 118.34 1iv3 s HIS 341 Ca 0.18 -0.68 -0.04 0.00 -0.15 0.00 0.00 55.06 54.38 1iv3 s HIS 341 Cb 0.15 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 1iv3 s HIS 341 CO 0.03 -0.01 0.02 0.54 -0.85 0.00 0.00 174.74 174.47 1iv3 s VAL 342 N -2.55 4.50 0.07 -0.90 0.11 0.16 -4.55 120.40 117.23 1iv3 s VAL 342 Ca 0.06 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 1iv3 s VAL 342 Cb -0.02 -2.93 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 1iv3 s VAL 342 CO -0.00 0.58 -0.20 -1.10 -3.33 0.00 0.00 175.10 171.04 1iv3 s GLN 343 N -0.59 1.23 0.00 1.54 -0.21 -0.06 -1.33 119.66 120.24 1iv3 s GLN 343 Ca 0.10 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.48 1iv3 s GLN 343 Cb -0.12 -1.39 -0.00 0.00 1.00 0.00 0.00 33.01 32.50 1iv3 s GLN 343 CO 0.02 0.34 -0.02 0.00 -2.12 0.00 0.00 175.29 173.51 1iv3 s ALA 344 N -0.96 0.15 -0.02 6.09 0.00 0.54 -0.75 121.76 126.81 1iv3 s ALA 344 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1iv3 s ALA 344 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1iv3 s ALA 344 CO 0.03 0.02 -0.07 1.03 0.00 0.00 0.00 175.76 176.77 1iv3 s ARG 345 N -0.18 0.75 0.00 0.00 0.52 -0.78 -1.09 118.95 118.16 1iv3 s ARG 345 Ca -0.01 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1iv3 s ARG 345 Cb -0.02 -0.72 -0.00 0.00 0.52 0.00 0.00 34.95 34.73 1iv3 s ARG 345 CO -0.00 0.08 -0.01 0.00 0.02 0.00 0.00 175.30 175.39 1iv3 s ALA 346 N 0.22 0.08 -0.08 2.13 0.00 0.22 -1.11 121.76 123.21 1iv3 s ALA 346 Ca -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1iv3 s ALA 346 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1iv3 s ALA 346 CO 0.00 0.01 -0.19 0.08 0.00 0.00 0.00 175.76 175.66 1iv3 s VAL 347 N -0.12 2.58 0.12 0.00 1.01 0.36 -0.92 120.40 123.44 1iv3 s VAL 347 Ca -0.01 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.21 1iv3 s VAL 347 Cb -0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1iv3 s VAL 347 CO -0.00 0.56 -0.27 0.68 0.00 0.00 0.00 175.10 176.07 1iv3 s VAL 348 N -0.12 2.27 -0.05 2.92 -7.23 0.20 -0.83 120.40 117.56 1iv3 s VAL 348 Ca -0.03 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1iv3 s VAL 348 Cb -0.14 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 1iv3 s VAL 348 CO 0.04 0.12 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.54 1iv3 s LEU 349 N -1.98 1.93 0.05 1.32 2.96 -0.41 -1.44 118.68 121.11 1iv3 s LEU 349 Ca 0.14 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1iv3 s LEU 349 Cb -0.10 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 1iv3 s LEU 349 CO 0.06 0.16 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.42 1iv3 s LEU 350 N 0.11 2.32 0.00 -0.68 1.02 0.12 -1.00 118.68 120.58 1iv3 s LEU 350 Ca -0.07 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1iv3 s LEU 350 Cb -0.13 -0.04 0.00 0.00 0.02 0.00 0.00 46.19 46.03 1iv3 s LEU 350 CO 0.03 -0.32 0.00 0.47 0.02 0.00 0.00 176.35 176.56