#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuy s THR 213 N 0.00 3.48 -0.08 1.12 -4.23 -0.41 -4.96 115.64 110.55 3iuy s THR 213 Ca 0.00 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3iuy s THR 213 Cb 0.00 -2.90 0.03 0.00 1.34 0.00 0.00 72.50 70.97 3iuy s THR 213 CO 0.00 -0.35 0.21 0.00 -0.54 0.00 0.00 174.62 173.93 3iuy s ASP 215 N 0.57 0.34 -0.32 0.00 1.01 -0.83 -4.99 116.67 112.44 3iuy s ASP 215 Ca -0.04 -0.86 -0.14 0.00 0.71 0.00 0.00 52.55 52.22 3iuy s ASP 215 Cb -0.05 0.26 -0.02 0.00 1.01 0.00 0.00 42.92 44.11 3iuy s ASP 215 CO -0.03 -0.65 0.30 -0.62 0.21 0.00 0.00 175.17 174.37 3iuy s ASP 216 N -2.90 6.13 0.00 0.27 -1.08 -1.26 -1.00 116.67 116.83 3iuy s ASP 216 Ca 0.06 -0.17 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 3iuy s ASP 216 Cb 0.07 -2.17 0.40 0.00 -1.46 0.00 0.00 42.92 39.76 3iuy s ASP 216 CO -0.10 -0.23 1.36 0.18 0.52 0.00 0.00 175.17 176.89 3iuy n LEU 217 N 5.24 3.35 -4.71 -1.34 4.77 -0.54 -4.95 117.00 118.83 3iuy n LEU 217 Ca -0.11 -1.53 -0.40 0.00 -0.03 0.00 0.00 56.01 53.94 3iuy n LEU 217 Cb 0.50 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3iuy n LEU 217 CO 0.37 0.73 0.89 1.17 -1.33 0.00 0.00 177.39 179.23 3iuy n LYS 218 N 1.37 1.87 -2.22 3.23 4.81 -1.22 -4.77 118.16 121.23 3iuy n LYS 218 Ca 0.18 0.67 -0.38 0.00 -0.87 0.00 0.00 58.31 57.91 3iuy n LYS 218 Cb 0.57 -2.42 -0.01 0.00 0.02 0.00 0.00 35.03 33.19 3iuy n LYS 218 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3iuy s SER 219 N -0.62 6.31 0.00 3.14 0.01 -1.26 -4.84 113.70 116.44 3iuy s SER 219 Ca 0.63 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.29 3iuy s SER 219 Cb -0.48 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.13 3iuy s SER 219 CO 0.56 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.99 3iuy n GLY 220 N 0.57 -0.80 3.67 3.44 0.00 -1.26 -4.91 105.19 105.91 3iuy n GLY 220 Ca 0.06 -1.20 -0.48 0.00 0.00 0.00 0.00 46.02 44.39 3iuy n GLY 220 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3iuy n GLU 221 N 0.00 2.05 -2.74 1.61 4.07 -1.26 -4.95 120.64 119.42 3iuy n GLU 221 Ca 0.00 0.75 -0.38 0.00 -0.06 0.00 0.00 57.16 57.46 3iuy n GLU 221 Cb 0.00 -2.53 -0.06 0.00 -0.06 0.00 0.00 31.44 28.79 3iuy n GLU 221 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3iuy s LYS 222 N 2.14 4.69 0.19 5.31 -0.14 -1.26 -4.97 119.74 125.70 3iuy s LYS 222 Ca 0.85 1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 56.88 3iuy s LYS 222 Cb -0.72 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 32.37 3iuy s LYS 222 CO 0.45 0.37 0.38 1.03 -0.76 0.00 0.00 175.35 176.81 3iuy s ARG 223 N -1.65 3.52 0.41 1.68 0.52 -1.26 -5.07 118.95 117.10 3iuy s ARG 223 Ca 0.46 -0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 55.06 3iuy s ARG 223 Cb -0.23 -2.85 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 3iuy s ARG 223 CO 0.28 0.42 1.37 -0.51 0.02 0.00 0.00 175.30 176.89 3iuy s LEU 224 N -3.26 4.20 -0.24 2.53 1.43 -1.26 -4.82 118.68 117.27 3iuy s LEU 224 Ca 0.38 2.81 -0.24 0.00 -1.03 0.00 0.00 54.13 56.05 3iuy s LEU 224 Cb -0.11 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 3iuy s LEU 224 CO 0.29 -0.96 0.81 -0.63 0.23 0.00 0.00 176.35 176.09 3iuy s ILE 225 N -1.21 4.85 0.43 -0.59 -1.09 -1.26 -5.02 121.20 117.32 3iuy s ILE 225 Ca 0.57 1.53 -0.22 0.00 -2.23 0.00 0.00 60.65 60.30 3iuy s ILE 225 Cb -0.41 -4.10 -0.12 0.00 -1.58 0.00 0.00 42.46 36.25 3iuy s ILE 225 CO 0.54 -0.06 0.68 -2.65 -1.23 0.00 0.00 174.94 172.22 3iuy n PRO 226 N 5.94 0.77 -2.25 2.79 -0.02 -1.26 -4.90 135.00 136.08 3iuy n PRO 226 Ca 0.05 0.28 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 3iuy n PRO 226 Cb 0.48 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 3iuy n PRO 226 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3iuy s LYS 227 N -1.76 4.24 0.51 -0.52 3.01 -1.26 -4.95 119.74 119.01 3iuy s LYS 227 Ca 0.64 1.98 -0.21 0.00 -1.01 0.00 0.00 55.97 57.37 3iuy s LYS 227 Cb -0.58 -2.90 -0.08 0.00 -1.01 0.00 0.00 37.83 33.27 3iuy s LYS 227 CO 0.57 -0.20 0.98 -2.30 0.51 0.00 0.00 175.35 174.91 3iuy n PRO 228 N 0.50 1.15 -3.71 -1.68 -0.02 -1.26 -4.83 135.00 125.16 3iuy n PRO 228 Ca 0.02 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 3iuy n PRO 228 Cb 0.44 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 3iuy n PRO 228 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iuy s THR 229 N -1.41 3.58 -1.20 3.45 -4.23 0.56 -4.96 115.64 111.44 3iuy s THR 229 Ca 0.69 -2.02 0.27 0.00 -1.18 0.00 0.00 61.69 59.45 3iuy s THR 229 Cb -0.48 -3.42 0.21 0.00 1.34 0.00 0.00 72.50 70.15 3iuy s THR 229 CO 0.52 -0.73 1.71 0.00 -0.54 0.00 0.00 174.62 175.59 3iuy s ARG 231 N -2.85 1.46 0.20 0.00 0.52 -1.26 -4.31 118.95 112.71 3iuy s ARG 231 Ca 0.17 -1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 54.12 3iuy s ARG 231 Cb 0.19 -1.73 0.25 0.00 0.52 0.00 0.00 34.95 34.17 3iuy s ARG 231 CO 0.58 0.43 1.68 0.74 0.02 0.00 0.00 175.30 178.74 3iuy h PHE 232 N 4.44 -0.01 -0.98 -0.53 0.04 -1.91 -1.24 116.94 116.74 3iuy h PHE 232 Ca -0.47 0.04 0.23 0.00 2.80 0.00 0.00 57.97 60.58 3iuy h PHE 232 Cb 1.16 0.09 -0.12 0.00 2.20 0.00 0.00 35.95 39.28 3iuy h PHE 232 CO 0.54 -0.13 0.56 -0.22 -0.60 0.00 0.00 178.31 178.47 3iuy h LYS 233 N 0.13 0.56 -0.00 1.51 3.64 -1.96 0.68 116.57 121.13 3iuy h LYS 233 Ca 0.29 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3iuy h LYS 233 Cb 0.45 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3iuy h LYS 233 CO -0.46 0.37 -0.53 -0.44 -2.27 0.00 0.00 179.45 176.12 3iuy h ASP 234 N 0.58 0.01 0.23 4.20 3.32 -1.59 -0.61 116.42 122.55 3iuy h ASP 234 Ca 0.62 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.32 3iuy h ASP 234 Cb 1.15 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.71 3iuy h ASP 234 CO -0.47 0.53 -1.70 0.00 -1.72 0.00 0.00 179.24 175.88 3iuy h ALA 235 N 1.47 0.12 0.00 3.45 0.00 -1.01 -3.42 119.26 119.86 3iuy h ALA 235 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3iuy h ALA 235 Cb 0.93 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3iuy h ALA 235 CO 0.07 0.99 -0.06 1.19 0.00 0.00 0.00 179.25 181.43 3iuy n PHE 236 N -3.60 0.00 -0.25 0.00 3.72 0.07 -4.74 117.46 112.66 3iuy n PHE 236 Ca -0.23 -0.56 0.21 0.00 -0.05 0.00 0.00 57.45 56.82 3iuy n PHE 236 Cb 1.08 -0.08 0.54 0.00 -0.94 0.00 0.00 39.48 40.08 3iuy n PHE 236 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3iuy h GLN 237 N 0.00 0.33 0.00 -1.08 7.50 -1.29 0.34 115.11 120.91 3iuy h GLN 237 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3iuy h GLN 237 Cb 0.86 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.31 3iuy h GLN 237 CO 0.00 0.22 0.00 0.37 -1.50 0.00 0.00 178.83 177.92 3iuy h GLN 238 N 0.34 0.00 -2.51 1.46 4.15 -1.85 -3.37 115.11 113.34 3iuy h GLN 238 Ca 0.49 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 59.31 3iuy h GLN 238 Cb 1.32 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.61 3iuy h GLN 238 CO -0.17 0.00 -0.77 0.66 -1.93 0.00 0.00 178.83 176.61 3iuy n TYR 239 N -2.36 1.63 0.14 3.99 4.01 0.12 -4.98 117.16 119.71 3iuy n TYR 239 Ca -0.00 -3.89 0.16 0.00 -0.16 0.00 0.00 57.90 54.01 3iuy n TYR 239 Cb 0.11 -0.33 0.73 0.00 -0.31 0.00 0.00 39.34 39.54 3iuy n TYR 239 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3iuy h PRO 240 N 4.94 0.00 -0.02 -0.72 0.13 -1.74 -1.61 132.00 132.98 3iuy h PRO 240 Ca 0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 3iuy h PRO 240 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3iuy h PRO 240 CO 0.61 0.00 -0.84 -0.44 -0.23 0.00 0.00 178.00 177.10 3iuy h ASP 241 N 0.00 0.40 -0.13 1.44 3.32 -1.93 -0.10 116.42 119.42 3iuy h ASP 241 Ca 0.13 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3iuy h ASP 241 Cb 0.56 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 3iuy h ASP 241 CO -0.00 1.08 -0.08 0.25 -1.72 0.00 0.00 179.24 178.76 3iuy h LEU 242 N 0.19 0.30 -0.34 1.55 5.85 -1.67 -2.21 115.31 118.99 3iuy h LEU 242 Ca -0.05 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.30 3iuy h LEU 242 Cb 1.45 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 3iuy h LEU 242 CO 0.14 0.67 0.00 -0.07 -0.34 0.00 0.00 178.44 178.84 3iuy h LEU 243 N -0.06 -0.13 -0.73 2.25 3.38 -1.33 -1.27 115.31 117.42 3iuy h LEU 243 Ca 0.03 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3iuy h LEU 243 Cb 0.57 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3iuy h LEU 243 CO 0.02 -0.03 0.42 0.11 0.09 0.00 0.00 178.44 179.06 3iuy h LYS 244 N 0.10 0.75 -0.22 1.13 1.57 -1.04 0.17 116.57 119.03 3iuy h LYS 244 Ca 0.16 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3iuy h LYS 244 Cb 0.22 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3iuy h LYS 244 CO -0.27 0.50 -0.04 1.03 -0.57 0.00 0.00 179.45 180.09 3iuy h SER 245 N 0.77 -0.18 -0.46 0.86 0.87 -0.93 0.25 113.55 114.74 3iuy h SER 245 Ca 0.32 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.98 3iuy h SER 245 Cb 0.18 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3iuy h SER 245 CO -0.18 -0.06 0.24 0.40 -0.53 0.00 0.00 176.83 176.70 3iuy h ILE 246 N 0.01 0.98 -0.89 2.23 2.04 -0.52 -2.57 117.51 118.79 3iuy h ILE 246 Ca 0.10 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3iuy h ILE 246 Cb 0.15 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3iuy h ILE 246 CO -0.21 0.09 0.54 0.40 0.00 0.00 0.00 178.15 178.97 3iuy h ILE 247 N 0.47 1.25 -0.39 -0.67 2.04 -0.45 -2.07 117.51 117.69 3iuy h ILE 247 Ca 0.20 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3iuy h ILE 247 Cb 0.09 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 3iuy h ILE 247 CO -0.13 0.26 -0.07 -0.09 0.00 0.00 0.00 178.15 178.11 3iuy h ARG 248 N 1.23 0.66 -0.28 2.37 2.43 -0.76 -2.73 114.38 117.30 3iuy h ARG 248 Ca 0.32 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 59.14 3iuy h ARG 248 Cb -0.06 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3iuy h ARG 248 CO -0.06 0.73 -0.48 0.28 -1.51 0.00 0.00 179.97 178.93 3iuy h VAL 249 N 0.61 1.29 0.00 0.20 2.07 -1.04 -3.48 116.25 115.90 3iuy h VAL 249 Ca 0.11 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3iuy h VAL 249 Cb 0.49 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3iuy h VAL 249 CO 0.03 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3iuy n GLY 250 N 0.22 0.81 3.75 2.17 0.00 -0.82 -5.08 105.19 106.25 3iuy n GLY 250 Ca -0.03 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3iuy n GLY 250 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iuy s ILE 251 N -2.00 2.71 -0.17 -0.61 -4.36 -1.26 -5.00 121.20 110.50 3iuy s ILE 251 Ca 0.00 0.36 -0.21 0.00 -0.26 0.00 0.00 60.65 60.55 3iuy s ILE 251 Cb 0.00 -2.96 -0.22 0.00 1.25 0.00 0.00 42.46 40.53 3iuy s ILE 251 CO 0.00 -0.17 0.39 -0.07 0.24 0.00 0.00 174.94 175.33 3iuy h LEU 252 N 0.14 0.11 -7.26 0.37 3.38 -1.97 -3.48 115.31 106.59 3iuy h LEU 252 Ca -0.48 -0.69 -0.07 0.00 0.09 0.00 0.00 57.88 56.72 3iuy h LEU 252 Cb 1.28 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 3iuy h LEU 252 CO 0.53 1.46 -0.02 -1.59 0.09 0.00 0.00 178.44 178.91 3iuy s LYS 253 N -2.38 0.97 0.47 1.13 -2.85 -1.26 -4.92 119.74 110.91 3iuy s LYS 253 Ca -0.25 -0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 54.28 3iuy s LYS 253 Cb 0.04 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.17 3iuy s LYS 253 CO 0.66 -0.33 1.18 -2.30 0.10 0.00 0.00 175.35 174.66 3iuy n PRO 254 N 0.58 1.59 -1.58 1.78 -0.02 -1.26 -5.02 135.00 131.07 3iuy n PRO 254 Ca -0.19 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 3iuy n PRO 254 Cb 0.59 -2.31 0.06 0.00 -0.02 0.00 0.00 33.50 31.82 3iuy n PRO 254 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iuy s THR 255 N -1.28 3.84 0.24 3.45 -4.23 -1.26 -4.82 115.64 111.57 3iuy s THR 255 Ca 0.66 0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 61.71 3iuy s THR 255 Cb -0.49 -3.35 0.22 0.00 1.34 0.00 0.00 72.50 70.22 3iuy s THR 255 CO 0.54 -0.78 1.69 -0.65 -0.54 0.00 0.00 174.62 174.89 3iuy h PRO 256 N -0.78 0.28 -0.21 3.99 0.11 -1.96 -0.63 132.00 132.80 3iuy h PRO 256 Ca -0.44 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3iuy h PRO 256 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3iuy h PRO 256 CO 0.58 0.18 -0.41 -0.84 -0.21 0.00 0.00 178.00 177.30 3iuy h ILE 257 N 0.29 1.30 -0.37 4.15 3.07 -1.93 -2.15 117.51 121.87 3iuy h ILE 257 Ca 0.40 -1.57 0.04 0.00 1.55 0.00 0.00 64.86 65.27 3iuy h ILE 257 Cb 0.66 1.60 -0.04 0.00 -0.27 0.00 0.00 36.82 38.77 3iuy h ILE 257 CO -0.48 0.49 0.14 1.56 -1.05 0.00 0.00 178.15 178.81 3iuy h GLN 258 N 0.40 0.29 0.00 0.16 4.20 -1.65 0.40 115.11 118.91 3iuy h GLN 258 Ca 0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3iuy h GLN 258 Cb 0.89 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 3iuy h GLN 258 CO 0.08 0.19 -0.11 0.66 -0.67 0.00 0.00 178.83 178.98 3iuy h SER 259 N 0.30 0.00 0.13 1.46 4.64 -0.52 -1.51 113.55 118.05 3iuy h SER 259 Ca 0.17 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.13 3iuy h SER 259 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 3iuy h SER 259 CO -0.16 0.11 -2.16 1.67 -0.87 0.00 0.00 176.83 175.41 3iuy n GLN 260 N -3.95 0.69 -0.07 4.77 -0.06 -0.91 -0.32 117.38 117.54 3iuy n GLN 260 Ca -0.02 0.19 -0.14 0.00 -2.00 0.00 0.00 57.00 55.03 3iuy n GLN 260 Cb 0.20 -1.63 -0.06 0.00 -4.06 0.00 0.00 30.24 24.68 3iuy n GLN 260 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3iuy h ALA 261 N 0.37 0.30 0.03 1.69 0.00 0.05 -3.32 119.26 118.38 3iuy h ALA 261 Ca -0.47 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.07 3iuy h ALA 261 Cb 2.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 3iuy h ALA 261 CO 0.02 0.31 -0.33 -1.49 0.00 0.00 0.00 179.25 177.77 3iuy h TRP 262 N 0.21 -0.90 -0.14 0.00 6.55 -1.48 -1.84 115.95 118.36 3iuy h TRP 262 Ca 0.02 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.86 3iuy h TRP 262 Cb 0.87 0.39 -0.01 0.00 -0.86 0.00 0.00 29.16 29.55 3iuy h TRP 262 CO 0.09 -0.42 -0.05 -1.00 -1.05 0.00 0.00 178.44 176.01 3iuy h PRO 263 N -0.50 0.21 0.09 0.49 0.13 -1.80 -0.97 132.00 129.65 3iuy h PRO 263 Ca 0.05 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3iuy h PRO 263 Cb 0.57 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3iuy h PRO 263 CO -0.25 0.28 -0.05 0.82 -0.23 0.00 0.00 178.00 178.57 3iuy h ILE 264 N 0.21 1.09 -0.48 -3.56 2.04 -1.59 -2.84 117.51 112.38 3iuy h ILE 264 Ca 0.05 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3iuy h ILE 264 Cb 0.23 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3iuy h ILE 264 CO 0.01 0.18 0.15 0.40 0.00 0.00 0.00 178.15 178.88 3iuy h ILE 265 N -0.46 1.23 -0.24 -0.67 2.04 -1.11 -2.71 117.51 115.58 3iuy h ILE 265 Ca -0.01 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.15 3iuy h ILE 265 Cb 0.39 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3iuy h ILE 265 CO 0.02 0.28 0.18 -0.07 0.00 0.00 0.00 178.15 178.56 3iuy h LEU 266 N 0.64 0.00 -0.03 1.44 3.38 -1.25 0.83 115.31 120.32 3iuy h LEU 266 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3iuy h LEU 266 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3iuy h LEU 266 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3iuy n GLN 267 N -4.37 1.02 -0.90 1.13 6.02 -1.04 -4.91 117.38 114.33 3iuy n GLN 267 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3iuy n GLN 267 Cb 0.33 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3iuy n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iuy n GLY 268 N 1.00 0.47 3.77 1.08 0.00 0.29 -5.05 105.19 106.75 3iuy n GLY 268 Ca 0.24 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 3iuy n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iuy s ILE 269 N -2.00 5.06 0.41 -0.61 1.01 -1.11 -4.97 121.20 118.98 3iuy s ILE 269 Ca 0.00 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 3iuy s ILE 269 Cb 0.00 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 3iuy s ILE 269 CO 0.00 0.44 1.36 -1.81 0.00 0.00 0.00 174.94 174.93 3iuy s ASP 270 N -0.18 6.23 -0.01 3.58 1.11 -1.26 -4.24 116.67 121.90 3iuy s ASP 270 Ca 0.26 2.78 0.02 0.00 0.18 0.00 0.00 52.55 55.79 3iuy s ASP 270 Cb -0.16 -2.65 -0.00 0.00 1.07 0.00 0.00 42.92 41.18 3iuy s ASP 270 CO 0.13 -0.92 -0.05 -0.22 1.18 0.00 0.00 175.17 175.29 3iuy s LEU 271 N -2.41 1.94 -0.21 1.23 2.96 -1.04 -1.43 118.68 119.72 3iuy s LEU 271 Ca 0.57 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.30 3iuy s LEU 271 Cb -0.41 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3iuy s LEU 271 CO 0.53 0.06 0.07 -0.63 -1.32 0.00 0.00 176.35 175.06 3iuy s ILE 272 N -0.03 4.67 -0.23 6.68 1.01 0.07 -1.34 121.20 132.04 3iuy s ILE 272 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 3iuy s ILE 272 Cb -0.03 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 3iuy s ILE 272 CO -0.00 0.41 -0.02 -0.69 0.00 0.00 0.00 174.94 174.64 3iuy s VAL 273 N 0.80 3.52 -0.34 2.92 1.01 0.04 -0.41 120.40 127.94 3iuy s VAL 273 Ca 0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 3iuy s VAL 273 Cb -0.13 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3iuy s VAL 273 CO 0.02 0.39 0.16 -0.69 0.00 0.00 0.00 175.10 174.99 3iuy s VAL 274 N 1.50 4.39 -0.29 2.92 1.01 0.23 -1.77 120.40 128.39 3iuy s VAL 274 Ca 0.06 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 3iuy s VAL 274 Cb -0.15 -3.38 0.15 0.00 0.00 0.00 0.00 36.38 33.01 3iuy s VAL 274 CO -0.02 -0.11 1.08 0.00 0.00 0.00 0.00 175.10 176.06 3iuy s ALA 275 N 1.54 -2.23 0.79 5.51 0.00 -0.18 -2.00 121.76 125.19 3iuy s ALA 275 Ca 0.02 2.02 -0.10 0.00 0.00 0.00 0.00 51.96 53.90 3iuy s ALA 275 Cb -0.18 -1.67 0.10 0.00 0.00 0.00 0.00 23.12 21.37 3iuy s ALA 275 CO 0.05 -0.28 1.13 -0.65 0.00 0.00 0.00 175.76 176.02 3iuy s GLN 276 N 0.81 1.75 0.58 0.00 -0.21 -1.26 -4.22 119.66 117.10 3iuy s GLN 276 Ca -0.03 -0.24 -0.18 0.00 0.02 0.00 0.00 55.36 54.93 3iuy s GLN 276 Cb -0.04 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 3iuy s GLN 276 CO -0.12 -1.62 1.11 -0.08 -2.12 0.00 0.00 175.29 172.46 3iuy s THR 277 N -3.48 3.29 0.00 -0.19 -1.32 -1.26 -3.44 115.64 109.24 3iuy s THR 277 Ca 0.64 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 61.84 3iuy s THR 277 Cb -0.09 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 3iuy s THR 277 CO 0.48 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 3iuy n GLY 278 N -0.18 0.40 0.47 6.08 0.00 -1.26 -4.95 105.19 105.75 3iuy n GLY 278 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3iuy n GLY 278 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iuy n THR 279 N -2.00 0.00 -1.47 2.61 -2.24 -1.22 -4.97 114.28 104.98 3iuy n THR 279 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3iuy n THR 279 Cb 0.00 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3iuy n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iuy n GLY 280 N 1.39 0.44 0.26 3.38 0.00 -1.26 -4.57 105.19 104.82 3iuy n GLY 280 Ca 0.11 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.25 3iuy n GLY 280 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iuy h LYS 281 N 0.00 0.17 0.95 1.61 2.10 -1.93 -2.85 116.57 116.63 3iuy h LYS 281 Ca 0.00 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.58 3iuy h LYS 281 Cb 0.53 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 31.84 3iuy h LYS 281 CO 0.00 0.22 -0.46 1.15 -2.00 0.00 0.00 179.45 178.36 3iuy h THR 282 N 0.17 0.02 -0.06 0.07 2.02 -1.99 -2.43 112.91 110.72 3iuy h THR 282 Ca 0.04 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3iuy h THR 282 Cb 0.16 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3iuy h THR 282 CO 0.01 0.00 0.06 -0.07 0.37 0.00 0.00 175.52 175.89 3iuy h LEU 283 N -1.32 0.00 -0.86 2.58 3.38 -1.97 -0.75 115.31 116.37 3iuy h LEU 283 Ca -0.13 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.02 3iuy h LEU 283 Cb 0.98 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 3iuy h LEU 283 CO 0.21 0.00 0.40 0.28 0.09 0.00 0.00 178.44 179.42 3iuy h SER 284 N 0.00 0.40 0.00 -0.43 0.02 -1.18 -2.62 113.55 109.74 3iuy h SER 284 Ca 0.03 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3iuy h SER 284 Cb 0.15 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3iuy h SER 284 CO -0.00 0.10 -1.82 0.00 -1.14 0.00 0.00 176.83 173.97 3iuy n TYR 285 N -4.97 0.00 -0.04 3.45 0.18 -0.51 -4.54 117.16 110.74 3iuy n TYR 285 Ca 0.19 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.83 3iuy n TYR 285 Cb 0.54 -0.41 -0.12 0.00 -0.38 0.00 0.00 39.34 38.96 3iuy n TYR 285 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3iuy h LEU 286 N 0.00 0.09 0.06 -3.48 3.38 -1.07 -3.00 115.31 111.29 3iuy h LEU 286 Ca 0.00 -0.81 0.03 0.00 0.09 0.00 0.00 57.88 57.19 3iuy h LEU 286 Cb 0.86 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3iuy h LEU 286 CO 0.00 0.89 -0.29 0.24 0.09 0.00 0.00 178.44 179.37 3iuy h MET 287 N -0.69 -0.45 0.00 1.13 2.86 -1.72 -0.89 114.93 115.16 3iuy h MET 287 Ca -0.01 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3iuy h MET 287 Cb 0.91 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 3iuy h MET 287 CO 0.02 -0.30 -0.14 -1.35 1.06 0.00 0.00 176.91 176.20 3iuy h PRO 288 N -0.47 0.00 -0.71 -0.22 0.11 -1.80 -1.07 132.00 127.84 3iuy h PRO 288 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 3iuy h PRO 288 Cb 0.53 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 3iuy h PRO 288 CO -0.21 0.14 0.24 0.78 -0.21 0.00 0.00 178.00 178.75 3iuy h GLY 289 N 0.96 1.17 0.72 -0.55 0.00 -1.18 -1.51 103.07 102.68 3iuy h GLY 289 Ca -0.00 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 46.70 3iuy h GLY 289 CO 0.02 0.63 0.21 0.74 0.00 0.00 0.00 176.54 178.14 3iuy h PHE 290 N 1.03 0.38 -0.92 5.60 0.04 0.13 -2.45 116.94 120.75 3iuy h PHE 290 Ca 0.23 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 3iuy h PHE 290 Cb 0.27 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 3iuy h PHE 290 CO 0.02 0.18 0.53 0.82 -0.60 0.00 0.00 178.31 179.27 3iuy h ILE 291 N 0.42 1.26 -0.03 -0.55 2.04 -1.37 -2.84 117.51 116.44 3iuy h ILE 291 Ca 0.20 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3iuy h ILE 291 Cb 0.13 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3iuy h ILE 291 CO -0.16 0.28 -0.18 -0.74 0.00 0.00 0.00 178.15 177.35 3iuy h HIS 292 N 1.28 0.05 -0.21 1.37 2.76 -0.91 -3.18 115.15 116.31 3iuy h HIS 292 Ca 0.33 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 3iuy h HIS 292 Cb -0.02 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3iuy h HIS 292 CO 0.01 0.23 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.77 3iuy h LEU 293 N 0.05 0.39 -7.70 0.26 3.38 -1.19 -3.50 115.31 106.99 3iuy h LEU 293 Ca 0.01 -0.34 -0.69 0.00 0.09 0.00 0.00 57.88 56.94 3iuy h LEU 293 Cb 0.35 -0.11 -0.35 0.00 0.09 0.00 0.00 40.66 40.64 3iuy h LEU 293 CO 0.02 0.64 -0.49 -1.81 0.09 0.00 0.00 178.44 176.90 3iuy s ASP 294 N -5.95 5.20 0.00 -0.43 1.01 -1.20 -5.06 116.67 110.24 3iuy s ASP 294 Ca -0.14 -2.39 0.00 0.00 0.71 0.00 0.00 52.55 50.73 3iuy s ASP 294 Cb 0.07 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 42.17 3iuy s ASP 294 CO 0.74 -0.46 0.00 -3.20 0.21 0.00 0.00 175.17 172.46 3iuy n ASN 304 N 4.10 -0.23 -2.78 0.27 5.15 -1.26 -5.08 115.26 115.43 3iuy n ASN 304 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 3iuy n ASN 304 Cb 0.40 -0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 3iuy n ASN 304 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iuy n GLY 305 N 0.15 -1.89 3.75 8.20 0.00 -1.26 -4.97 105.19 109.17 3iuy n GLY 305 Ca 0.00 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 3iuy n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iuy s PRO 306 N 0.00 3.18 -0.00 1.61 0.04 -1.02 -4.82 135.00 133.98 3iuy s PRO 306 Ca 0.00 2.13 0.17 0.00 0.04 0.00 0.00 61.00 63.34 3iuy s PRO 306 Cb 0.00 -2.23 -0.19 0.00 0.04 0.00 0.00 34.50 32.11 3iuy s PRO 306 CO 0.00 -1.13 0.65 0.41 0.04 0.00 0.00 177.00 176.97 3iuy n GLY 307 N 0.69 -0.60 3.06 0.56 0.00 -0.48 -3.08 105.19 105.33 3iuy n GLY 307 Ca 0.10 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3iuy n GLY 307 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3iuy s MET 308 N -2.67 1.32 -0.05 1.61 -2.45 -1.00 -1.59 119.30 114.47 3iuy s MET 308 Ca 0.04 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 54.06 3iuy s MET 308 Cb 0.12 -1.18 0.02 0.00 1.25 0.00 0.00 34.83 35.04 3iuy s MET 308 CO 0.69 0.16 -0.05 -1.17 1.05 0.00 0.00 175.02 175.70 3iuy s LEU 309 N 0.15 1.35 -0.20 4.11 2.96 -0.47 -1.06 118.68 125.53 3iuy s LEU 309 Ca -0.04 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3iuy s LEU 309 Cb -0.10 -0.49 0.03 0.00 0.50 0.00 0.00 46.19 46.13 3iuy s LEU 309 CO 0.01 -0.05 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.12 3iuy s VAL 310 N 0.91 2.09 -0.25 1.68 1.01 0.00 -0.17 120.40 125.68 3iuy s VAL 310 Ca -0.11 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 3iuy s VAL 310 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3iuy s VAL 310 CO 0.00 0.42 0.18 -0.76 0.00 0.00 0.00 175.10 174.94 3iuy s LEU 311 N 1.25 4.08 0.06 3.92 1.43 0.34 -0.84 118.68 128.92 3iuy s LEU 311 Ca 0.02 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3iuy s LEU 311 Cb -0.14 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3iuy s LEU 311 CO -0.11 0.02 -0.24 0.42 0.23 0.00 0.00 176.35 176.67 3iuy s THR 312 N 1.33 1.91 0.14 5.49 -4.23 0.39 -0.57 115.64 120.09 3iuy s THR 312 Ca 0.08 -1.35 0.21 0.00 -1.18 0.00 0.00 61.69 59.45 3iuy s THR 312 Cb -0.14 -1.66 0.18 0.00 1.34 0.00 0.00 72.50 72.22 3iuy s THR 312 CO 0.07 0.24 1.77 1.55 -0.54 0.00 0.00 174.62 177.71 3iuy h PRO 313 N 4.70 0.00 -4.61 3.99 0.13 -1.87 -3.32 132.00 131.03 3iuy h PRO 313 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 3iuy h PRO 313 Cb 1.15 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 3iuy h PRO 313 CO 0.43 0.30 -0.70 0.95 -0.23 0.00 0.00 178.00 178.75 3iuy s THR 314 N -3.61 0.64 0.12 1.56 -4.23 -1.26 -4.86 115.64 104.00 3iuy s THR 314 Ca 0.00 -1.90 -0.21 0.00 -1.18 0.00 0.00 61.69 58.40 3iuy s THR 314 Cb 0.10 -1.64 -0.06 0.00 1.34 0.00 0.00 72.50 72.25 3iuy s THR 314 CO 0.66 -0.87 1.71 -0.09 -0.54 0.00 0.00 174.62 175.49 3iuy h ARG 315 N 3.03 -0.05 -0.55 3.99 2.43 -1.97 -1.74 114.38 119.52 3iuy h ARG 315 Ca -0.35 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.91 3iuy h ARG 315 Cb 1.16 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 3iuy h ARG 315 CO 0.64 -0.03 0.15 0.93 -1.51 0.00 0.00 179.97 180.15 3iuy h GLU 316 N -0.05 0.29 -0.48 0.20 5.08 -1.99 -0.61 114.58 117.02 3iuy h GLU 316 Ca 0.07 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3iuy h GLU 316 Cb 0.15 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3iuy h GLU 316 CO -0.15 0.19 -0.23 1.25 -1.00 0.00 0.00 179.01 179.07 3iuy h LEU 317 N 0.30 1.03 -0.74 1.33 5.85 -1.97 -1.66 115.31 119.45 3iuy h LEU 317 Ca 0.28 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3iuy h LEU 317 Cb 0.36 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3iuy h LEU 317 CO -0.33 1.20 0.44 0.00 -0.34 0.00 0.00 178.44 179.42 3iuy h ALA 318 N 0.86 1.01 -0.39 1.25 0.00 -0.77 0.23 119.26 121.45 3iuy h ALA 318 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3iuy h ALA 318 Cb 0.81 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3iuy h ALA 318 CO 0.07 0.15 0.02 -0.07 0.00 0.00 0.00 179.25 179.42 3iuy h LEU 319 N 0.81 0.66 -0.25 0.00 3.38 -1.00 -0.91 115.31 118.01 3iuy h LEU 319 Ca 0.33 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3iuy h LEU 319 Cb 0.17 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3iuy h LEU 319 CO -0.17 0.79 -0.02 -0.74 0.09 0.00 0.00 178.44 178.39 3iuy h HIS 320 N 0.51 -0.05 -0.47 1.13 2.76 -0.95 -0.48 115.15 117.60 3iuy h HIS 320 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 3iuy h HIS 320 Cb 0.44 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3iuy h HIS 320 CO 0.03 -0.06 -0.01 0.28 -1.30 0.00 0.00 177.93 176.88 3iuy h VAL 321 N 0.05 1.26 -0.55 5.26 2.07 -0.83 -2.66 116.25 120.85 3iuy h VAL 321 Ca 0.12 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3iuy h VAL 321 Cb 0.16 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3iuy h VAL 321 CO -0.21 0.37 0.07 -0.08 0.02 0.00 0.00 177.57 177.74 3iuy h GLU 322 N 0.70 0.89 -0.84 1.57 4.57 -0.90 -1.18 114.58 119.39 3iuy h GLU 322 Ca 0.13 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3iuy h GLU 322 Cb 0.52 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 3iuy h GLU 322 CO 0.03 0.84 0.40 0.00 -1.18 0.00 0.00 179.01 179.10 3iuy h ALA 323 N 1.23 1.14 -0.23 2.92 0.00 -0.90 -1.47 119.26 121.96 3iuy h ALA 323 Ca 0.17 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3iuy h ALA 323 Cb 0.40 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iuy h ALA 323 CO 0.01 0.65 -0.53 0.93 0.00 0.00 0.00 179.25 180.31 3iuy h GLU 324 N 1.19 0.66 0.00 0.00 5.08 -1.17 -2.49 114.58 117.85 3iuy h GLU 324 Ca 0.29 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3iuy h GLU 324 Cb 0.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3iuy h GLU 324 CO -0.04 1.02 -0.10 0.00 -1.00 0.00 0.00 179.01 178.90 3iuy h SER 326 N -0.17 0.00 -0.69 0.00 4.64 -1.29 -1.69 113.55 114.35 3iuy h SER 326 Ca 0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3iuy h SER 326 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3iuy h SER 326 CO -0.10 0.42 0.31 0.50 -0.87 0.00 0.00 176.83 177.10 3iuy h LYS 327 N 0.00 1.03 -0.20 4.77 3.64 -1.31 -3.26 116.57 121.24 3iuy h LYS 327 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3iuy h LYS 327 Cb 1.13 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3iuy h LYS 327 CO 0.06 0.82 0.00 0.66 -2.27 0.00 0.00 179.45 178.72 3iuy n TYR 328 N -4.31 0.25 -2.50 1.91 4.01 -0.99 -4.98 117.16 110.54 3iuy n TYR 328 Ca 0.07 -0.19 -0.41 0.00 -0.16 0.00 0.00 57.90 57.21 3iuy n TYR 328 Cb 0.16 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 3iuy n TYR 328 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3iuy s SER 329 N -1.21 7.28 0.26 7.72 0.01 -0.65 -4.89 113.70 122.24 3iuy s SER 329 Ca 0.24 2.17 0.02 0.00 1.31 0.00 0.00 55.95 59.69 3iuy s SER 329 Cb 0.15 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 3iuy s SER 329 CO 0.21 -0.17 0.31 0.00 0.41 0.00 0.00 173.24 174.00 3iuy n TYR 330 N 1.77 -0.95 -3.62 2.43 4.11 -1.26 -4.91 117.16 114.72 3iuy n TYR 330 Ca 0.01 -1.97 -0.26 0.00 -0.00 0.00 0.00 57.90 55.67 3iuy n TYR 330 Cb 0.45 0.34 -0.03 0.00 -0.00 0.00 0.00 39.34 40.11 3iuy n TYR 330 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3iuy n LYS 331 N -0.47 -2.62 -2.68 -3.48 2.85 -1.26 -2.16 118.16 108.34 3iuy n LYS 331 Ca 0.03 0.30 -0.17 0.00 -1.05 0.00 0.00 58.31 57.42 3iuy n LYS 331 Cb 0.46 -4.94 -0.00 0.00 -0.65 0.00 0.00 35.03 29.90 3iuy n LYS 331 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3iuy n GLY 332 N -1.06 -0.50 3.74 2.58 0.00 -1.26 -4.96 105.19 103.74 3iuy n GLY 332 Ca 0.03 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3iuy n GLY 332 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iuy s LEU 333 N -5.99 4.38 -0.09 0.99 1.02 -0.92 -5.03 118.68 113.05 3iuy s LEU 333 Ca 0.11 2.65 0.04 0.00 0.02 0.00 0.00 54.13 56.95 3iuy s LEU 333 Cb -0.06 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.52 3iuy s LEU 333 CO 0.14 -0.71 -0.21 -0.54 0.02 0.00 0.00 176.35 175.05 3iuy s LYS 334 N -0.20 2.88 0.14 1.70 3.01 -1.26 -4.82 119.74 121.19 3iuy s LYS 334 Ca 0.60 -0.83 0.07 0.00 -1.01 0.00 0.00 55.97 54.80 3iuy s LYS 334 Cb -0.42 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.04 3iuy s LYS 334 CO 0.42 0.30 -0.17 -1.54 0.51 0.00 0.00 175.35 174.87 3iuy s SER 335 N 0.06 2.40 0.01 2.83 1.04 -1.26 -0.42 113.70 118.35 3iuy s SER 335 Ca -0.09 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.57 3iuy s SER 335 Cb -0.15 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 3iuy s SER 335 CO 0.06 -0.06 -0.12 -0.51 0.98 0.00 0.00 173.24 173.59 3iuy s ILE 336 N -1.93 0.95 -0.31 -1.02 1.10 -0.39 -4.96 121.20 114.64 3iuy s ILE 336 Ca 0.11 -0.64 -0.09 0.00 -0.51 0.00 0.00 60.65 59.52 3iuy s ILE 336 Cb -0.06 -0.82 -0.00 0.00 0.15 0.00 0.00 42.46 41.73 3iuy s ILE 336 CO 0.05 0.17 0.14 0.00 -2.11 0.00 0.00 174.94 173.19 3iuy s ILE 338 N 1.59 2.64 0.14 0.00 -1.09 0.11 -4.99 121.20 119.61 3iuy s ILE 338 Ca 0.04 -0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.60 3iuy s ILE 338 Cb -0.17 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 3iuy s ILE 338 CO 0.05 0.50 0.30 -0.72 -1.23 0.00 0.00 174.94 173.84 3iuy s TYR 339 N 1.23 0.18 0.00 3.97 -0.85 -1.26 -2.30 117.35 118.31 3iuy s TYR 339 Ca 0.03 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3iuy s TYR 339 Cb -0.14 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.24 3iuy s TYR 339 CO -0.06 -0.69 0.00 0.41 -1.52 0.00 0.00 175.55 173.69 3iuy n GLY 340 N -0.19 0.00 0.00 5.49 0.00 -1.26 -4.93 105.19 104.30 3iuy n GLY 340 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3iuy n GLY 340 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iuy n GLN 347 N 0.00 0.00 0.08 1.61 3.00 -1.26 -5.09 117.38 115.72 3iuy n GLN 347 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 3iuy n GLN 347 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 30.24 30.83 3iuy n GLN 347 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3iuy h ILE 348 N 0.00 0.93 0.19 5.09 2.04 -1.98 -2.15 117.51 121.63 3iuy h ILE 348 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3iuy h ILE 348 Cb 0.00 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3iuy h ILE 348 CO 0.00 0.03 -0.09 1.05 0.00 0.00 0.00 178.15 179.14 3iuy h GLU 349 N 0.18 -0.25 -0.90 2.37 4.11 -1.98 0.54 114.58 118.64 3iuy h GLU 349 Ca 0.15 0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.64 3iuy h GLU 349 Cb 0.36 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3iuy h GLU 349 CO -0.02 -0.01 0.58 -0.44 0.07 0.00 0.00 179.01 179.19 3iuy h ASP 350 N -0.47 0.94 0.21 3.06 3.32 -1.89 -1.23 116.42 120.36 3iuy h ASP 350 Ca -0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3iuy h ASP 350 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3iuy h ASP 350 CO 0.04 0.63 -0.34 0.40 -1.72 0.00 0.00 179.24 178.26 3iuy h ILE 351 N 1.10 1.27 -0.29 0.35 1.08 -1.30 -2.88 117.51 116.84 3iuy h ILE 351 Ca 0.37 -1.31 -0.07 0.00 -0.39 0.00 0.00 64.86 63.46 3iuy h ILE 351 Cb 0.07 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3iuy h ILE 351 CO -0.14 0.39 -0.11 0.28 -0.69 0.00 0.00 178.15 177.88 3iuy h SER 352 N 0.17 0.47 -3.88 1.72 0.02 0.11 -3.43 113.55 108.73 3iuy h SER 352 Ca 0.02 -0.12 -0.44 0.00 -0.84 0.00 0.00 61.79 60.42 3iuy h SER 352 Cb 0.69 -0.12 0.17 0.00 0.14 0.00 0.00 62.40 63.27 3iuy h SER 352 CO 0.05 0.62 0.29 -0.54 -1.14 0.00 0.00 176.83 176.11 3iuy s LYS 353 N -4.76 0.05 0.13 3.45 3.01 -0.56 -5.00 119.74 116.05 3iuy s LYS 353 Ca -0.07 -0.15 -0.31 0.00 -1.01 0.00 0.00 55.97 54.42 3iuy s LYS 353 Cb 0.15 -1.75 -0.09 0.00 -1.01 0.00 0.00 37.83 35.12 3iuy s LYS 353 CO 0.77 -2.85 1.53 0.20 0.51 0.00 0.00 175.35 175.52 3iuy s GLY 354 N -4.36 1.67 -0.02 -3.33 0.00 -1.26 -4.93 107.32 95.08 3iuy s GLY 354 Ca 0.71 1.27 0.01 0.00 0.00 0.00 0.00 44.72 46.71 3iuy s GLY 354 CO 0.54 2.60 -0.02 0.14 0.00 0.00 0.00 173.10 176.35 3iuy s VAL 355 N 1.40 0.30 -0.13 1.40 1.01 -1.26 -4.92 120.40 118.20 3iuy s VAL 355 Ca 0.69 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.68 3iuy s VAL 355 Cb -0.41 -0.33 -0.23 0.00 0.00 0.00 0.00 36.38 35.40 3iuy s VAL 355 CO 0.31 0.14 0.32 0.47 0.00 0.00 0.00 175.10 176.34 3iuy n ASP 356 N 3.69 1.27 -4.02 3.32 8.00 0.44 -2.45 116.55 126.81 3iuy n ASP 356 Ca -0.22 0.19 -0.25 0.00 0.71 0.00 0.00 54.79 55.22 3iuy n ASP 356 Cb 0.53 -0.17 -0.17 0.00 -0.02 0.00 0.00 41.12 41.30 3iuy n ASP 356 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iuy s ILE 357 N -2.55 1.15 -0.14 0.53 1.01 -0.41 -1.38 121.20 119.41 3iuy s ILE 357 Ca -0.16 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3iuy s ILE 357 Cb 0.07 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3iuy s ILE 357 CO 0.77 0.36 -0.06 -0.63 0.00 0.00 0.00 174.94 175.39 3iuy s ILE 358 N 0.72 3.74 -0.22 2.92 1.01 -0.22 -1.26 121.20 127.89 3iuy s ILE 358 Ca -0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 3iuy s ILE 358 Cb -0.16 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3iuy s ILE 358 CO 0.03 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.76 3iuy s ILE 359 N 0.15 2.73 -0.06 2.92 1.01 0.13 -0.82 121.20 127.25 3iuy s ILE 359 Ca -0.02 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3iuy s ILE 359 Cb -0.14 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.07 3iuy s ILE 359 CO 0.03 0.36 0.25 0.00 0.00 0.00 0.00 174.94 175.58 3iuy s ALA 360 N 1.35 -0.61 0.45 9.38 0.00 -0.02 0.08 121.76 132.39 3iuy s ALA 360 Ca 0.03 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 3iuy s ALA 360 Cb -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 3iuy s ALA 360 CO -0.07 -0.16 1.04 0.95 0.00 0.00 0.00 175.76 177.52 3iuy s THR 361 N -0.39 3.79 0.16 0.00 -4.23 -0.97 -0.46 115.64 113.54 3iuy s THR 361 Ca -0.05 1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 61.57 3iuy s THR 361 Cb -0.03 -3.54 0.03 0.00 1.34 0.00 0.00 72.50 70.29 3iuy s THR 361 CO 0.01 -0.15 1.60 -0.65 -0.54 0.00 0.00 174.62 174.89 3iuy h PRO 362 N 1.93 0.99 0.26 3.99 0.11 -1.90 -2.89 132.00 134.50 3iuy h PRO 362 Ca -0.49 -0.35 0.01 0.00 0.11 0.00 0.00 66.00 65.28 3iuy h PRO 362 Cb 1.22 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3iuy h PRO 362 CO 0.60 1.02 -0.41 0.78 -0.21 0.00 0.00 178.00 179.78 3iuy h GLY 363 N 0.87 -0.91 1.37 -0.55 0.00 -1.94 -0.95 103.07 100.96 3iuy h GLY 363 Ca 0.15 0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.90 3iuy h GLY 363 CO 0.04 -0.30 0.03 -0.09 0.00 0.00 0.00 176.54 176.23 3iuy h ARG 364 N -0.74 0.78 -0.29 4.80 9.65 -1.92 -2.59 114.38 124.07 3iuy h ARG 364 Ca -0.01 -0.19 -0.14 0.00 -1.10 0.00 0.00 59.98 58.54 3iuy h ARG 364 Cb 0.71 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3iuy h ARG 364 CO -0.16 0.76 -0.36 1.25 2.80 0.00 0.00 179.97 184.26 3iuy h LEU 365 N 0.73 0.82 -0.40 3.80 5.85 -1.37 -1.54 115.31 123.21 3iuy h LEU 365 Ca 0.15 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.44 3iuy h LEU 365 Cb 0.40 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3iuy h LEU 365 CO 0.01 1.15 0.07 -1.13 -0.34 0.00 0.00 178.44 178.21 3iuy h ASN 366 N 0.51 -0.00 -0.27 1.25 -1.24 -1.13 -1.65 115.58 113.05 3iuy h ASN 366 Ca 0.04 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 3iuy h ASN 366 Cb 0.95 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 40.08 3iuy h ASN 366 CO 0.09 0.03 0.10 0.44 -1.29 0.00 0.00 177.43 176.80 3iuy h ASP 367 N 0.20 0.43 -0.26 1.15 3.32 -1.28 -2.37 116.42 117.62 3iuy h ASP 367 Ca 0.19 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3iuy h ASP 367 Cb 0.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3iuy h ASP 367 CO -0.26 0.43 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.53 3iuy h LEU 368 N 0.48 0.52 -0.75 1.55 3.38 -0.77 -2.34 115.31 117.38 3iuy h LEU 368 Ca 0.12 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3iuy h LEU 368 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3iuy h LEU 368 CO -0.01 0.78 0.33 0.06 0.09 0.00 0.00 178.44 179.70 3iuy h GLN 369 N 0.25 1.10 0.00 1.13 3.07 -1.15 0.12 115.11 119.63 3iuy h GLN 369 Ca 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.62 3iuy h GLN 369 Cb 0.57 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.94 3iuy h GLN 369 CO 0.03 0.88 0.00 -1.33 0.09 0.00 0.00 178.83 178.50 3iuy n MET 370 N -4.36 0.93 -0.11 0.06 2.81 -0.91 -1.47 117.12 114.07 3iuy n MET 370 Ca 0.06 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.00 3iuy n MET 370 Cb 0.16 -1.46 0.11 0.00 -0.71 0.00 0.00 33.22 31.32 3iuy n MET 370 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3iuy n ASN 371 N -0.96 2.56 -3.02 7.83 3.02 -0.80 -5.01 115.26 118.88 3iuy n ASN 371 Ca 0.20 -1.88 -0.22 0.00 -0.03 0.00 0.00 54.58 52.65 3iuy n ASN 371 Cb 0.09 -0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 3iuy n ASN 371 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iuy n ASN 372 N 0.35 -6.12 0.01 6.41 3.02 -0.54 -4.92 115.26 113.47 3iuy n ASN 372 Ca 0.09 -0.31 0.11 0.00 -0.03 0.00 0.00 54.58 54.43 3iuy n ASN 372 Cb 0.36 -4.91 -0.07 0.00 -0.61 0.00 0.00 39.78 34.56 3iuy n ASN 372 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3iuy n SER 373 N -2.50 0.57 -3.83 6.41 7.64 0.35 -4.96 113.62 117.29 3iuy n SER 373 Ca -0.10 -0.37 -0.15 0.00 1.01 0.00 0.00 58.87 59.26 3iuy n SER 373 Cb 0.61 1.15 -0.15 0.00 -1.01 0.00 0.00 64.21 64.81 3iuy n SER 373 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iuy s VAL 374 N -3.23 0.09 -0.28 0.44 0.11 -1.26 -4.69 120.40 111.59 3iuy s VAL 374 Ca 0.02 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.02 3iuy s VAL 374 Cb 0.15 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.79 3iuy s VAL 374 CO 0.85 0.09 0.25 0.21 -3.33 0.00 0.00 175.10 173.17 3iuy s ASN 375 N 0.68 6.09 0.00 3.54 2.47 -1.26 -4.74 114.94 121.72 3iuy s ASN 375 Ca -0.06 0.04 0.18 0.00 0.42 0.00 0.00 52.86 53.44 3iuy s ASN 375 Cb -0.09 -2.15 0.04 0.00 -1.45 0.00 0.00 41.25 37.60 3iuy s ASN 375 CO -0.02 -0.10 0.96 0.18 -3.72 0.00 0.00 177.10 174.40 3iuy n LEU 376 N 5.15 1.95 0.19 3.21 4.77 -1.26 -4.41 117.00 126.60 3iuy n LEU 376 Ca -0.12 -0.83 0.14 0.00 -0.03 0.00 0.00 56.01 55.17 3iuy n LEU 376 Cb 0.51 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.22 3iuy n LEU 376 CO 0.35 0.36 0.92 0.03 -1.33 0.00 0.00 177.39 177.71 3iuy h ARG 377 N 2.42 0.00 -0.07 3.23 3.08 -1.90 -2.11 114.38 119.03 3iuy h ARG 377 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iuy h ARG 377 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3iuy h ARG 377 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 3iuy n SER 378 N -2.54 1.85 -4.63 7.04 7.64 -1.26 -4.54 113.62 117.17 3iuy n SER 378 Ca 0.01 -1.65 -0.43 0.00 1.01 0.00 0.00 58.87 57.81 3iuy n SER 378 Cb 0.21 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 3iuy n SER 378 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3iuy s ILE 379 N -1.92 3.99 -0.28 0.44 -1.09 -0.79 -4.21 121.20 117.34 3iuy s ILE 379 Ca 0.35 1.13 0.03 0.00 -2.23 0.00 0.00 60.65 59.94 3iuy s ILE 379 Cb 0.20 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3iuy s ILE 379 CO 0.31 -0.36 0.35 0.35 -1.23 0.00 0.00 174.94 174.37 3iuy n THR 380 N 6.14 0.00 -3.91 2.92 -2.24 -0.62 -3.71 114.28 112.86 3iuy n THR 380 Ca 0.16 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 3iuy n THR 380 Cb 0.46 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 3iuy n THR 380 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3iuy s TYR 381 N -0.83 2.10 -0.09 4.78 6.14 -0.88 -0.04 117.35 128.52 3iuy s TYR 381 Ca 0.03 -1.52 0.03 0.00 0.64 0.00 0.00 57.07 56.24 3iuy s TYR 381 Cb 0.03 -1.47 -0.01 0.00 0.42 0.00 0.00 41.96 40.93 3iuy s TYR 381 CO 0.09 -0.73 -0.19 -1.17 0.64 0.00 0.00 175.55 174.19 3iuy s LEU 382 N 1.49 2.41 -0.12 6.97 2.96 0.56 -1.37 118.68 131.59 3iuy s LEU 382 Ca -0.04 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3iuy s LEU 382 Cb -0.18 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 3iuy s LEU 382 CO -0.07 0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.30 3iuy s VAL 383 N 0.07 2.49 -0.40 1.68 1.01 0.77 -0.80 120.40 125.22 3iuy s VAL 383 Ca -0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3iuy s VAL 383 Cb -0.15 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.30 3iuy s VAL 383 CO 0.05 0.54 0.21 -0.63 0.00 0.00 0.00 175.10 175.27 3iuy s ILE 384 N 0.47 3.77 -0.03 2.22 1.01 -0.15 -0.51 121.20 127.99 3iuy s ILE 384 Ca -0.13 -1.60 -0.20 0.00 0.00 0.00 0.00 60.65 58.72 3iuy s ILE 384 Cb -0.17 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3iuy s ILE 384 CO 0.05 -0.51 0.59 -0.62 0.00 0.00 0.00 174.94 174.45 3iuy s ASP 385 N 1.92 6.92 -1.05 3.58 3.68 0.26 -1.65 116.67 130.34 3iuy s ASP 385 Ca 0.03 1.10 -0.08 0.00 2.13 0.00 0.00 52.55 55.73 3iuy s ASP 385 Cb -0.23 -2.36 -0.06 0.00 -1.45 0.00 0.00 42.92 38.83 3iuy s ASP 385 CO -0.00 0.05 0.90 -0.62 0.13 0.00 0.00 175.17 175.63 3iuy n GLU 386 N 3.04 -2.07 0.21 4.34 1.02 -1.02 -4.31 120.64 121.86 3iuy n GLU 386 Ca -0.06 0.83 0.07 0.00 -0.02 0.00 0.00 57.16 57.98 3iuy n GLU 386 Cb 0.51 -5.59 0.46 0.00 -0.02 0.00 0.00 31.44 26.81 3iuy n GLU 386 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iuy h ALA 387 N 0.07 1.15 -0.56 0.62 0.00 -1.20 -1.55 119.26 117.80 3iuy h ALA 387 Ca -0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 3iuy h ALA 387 Cb 1.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3iuy h ALA 387 CO 0.44 0.36 0.21 0.38 0.00 0.00 0.00 179.25 180.65 3iuy h ASP 388 N 0.00 0.78 -0.65 0.00 -0.00 -1.89 -0.62 116.42 114.04 3iuy h ASP 388 Ca -0.00 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.03 56.80 3iuy h ASP 388 Cb 0.68 -0.20 -0.03 0.00 -0.00 0.00 0.00 39.33 39.78 3iuy h ASP 388 CO 0.04 0.74 0.22 0.11 -0.00 0.00 0.00 179.24 180.35 3iuy h LYS 389 N 0.76 1.00 -0.86 4.15 1.57 -1.69 -0.75 116.57 120.75 3iuy h LYS 389 Ca 0.18 -0.21 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3iuy h LYS 389 Cb 0.21 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 3iuy h LYS 389 CO -0.01 0.87 0.49 0.52 -0.57 0.00 0.00 179.45 180.74 3iuy h MET 390 N 0.93 0.75 0.34 3.15 2.86 -1.05 -1.49 114.93 120.43 3iuy h MET 390 Ca 0.21 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3iuy h MET 390 Cb 0.27 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3iuy h MET 390 CO -0.01 0.50 -0.16 1.25 1.06 0.00 0.00 176.91 179.54 3iuy h LEU 391 N 0.77 -0.39 -1.56 1.22 7.12 -0.83 -0.67 115.31 120.98 3iuy h LEU 391 Ca 0.43 -0.13 0.31 0.00 0.13 0.00 0.00 57.88 58.62 3iuy h LEU 391 Cb 0.48 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.62 3iuy h LEU 391 CO -0.29 -0.08 0.74 0.44 -0.13 0.00 0.00 178.44 179.12 3iuy h ASP 392 N -0.71 0.29 0.10 1.25 3.32 -0.92 0.11 116.42 119.87 3iuy h ASP 392 Ca -0.05 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3iuy h ASP 392 Cb 0.49 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3iuy h ASP 392 CO 0.08 0.03 -0.21 0.23 -1.72 0.00 0.00 179.24 177.66 3iuy n MET 393 N -4.50 1.27 -3.42 3.56 2.81 -0.58 -4.95 117.12 111.31 3iuy n MET 393 Ca 0.26 -0.85 -0.20 0.00 -1.81 0.00 0.00 57.70 55.10 3iuy n MET 393 Cb 1.04 -1.48 0.07 0.00 -0.71 0.00 0.00 33.22 32.14 3iuy n MET 393 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iuy n GLU 394 N -0.12 -6.73 0.00 0.03 1.02 0.40 -4.91 120.64 110.33 3iuy n GLU 394 Ca 0.14 0.71 0.14 0.00 -0.02 0.00 0.00 57.16 58.13 3iuy n GLU 394 Cb 0.40 -5.41 0.57 0.00 -0.02 0.00 0.00 31.44 26.98 3iuy n GLU 394 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3iuy n PHE 395 N -4.55 0.00 -0.25 -0.32 3.72 -0.32 -4.46 117.46 111.28 3iuy n PHE 395 Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.43 3iuy n PHE 395 Cb 0.56 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 39.27 3iuy n PHE 395 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3iuy h GLU 396 N 1.98 0.17 -0.40 -1.08 3.07 -1.91 -0.42 114.58 115.98 3iuy h GLU 396 Ca 0.00 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3iuy h GLU 396 Cb 0.44 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 3iuy h GLU 396 CO 0.00 0.11 0.22 -1.35 -1.40 0.00 0.00 179.01 176.59 3iuy h PRO 397 N 0.18 0.43 -0.59 2.33 0.11 -1.99 0.16 132.00 132.63 3iuy h PRO 397 Ca 0.42 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.44 3iuy h PRO 397 Cb 0.74 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 3iuy h PRO 397 CO -0.59 0.29 0.13 1.96 -0.21 0.00 0.00 178.00 179.58 3iuy h GLN 398 N 0.45 0.95 -0.09 1.05 7.50 -1.73 -2.86 115.11 120.37 3iuy h GLN 398 Ca 0.16 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 3iuy h GLN 398 Cb 0.03 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.44 3iuy h GLN 398 CO -0.09 0.88 0.04 0.82 -1.50 0.00 0.00 178.83 178.98 3iuy h ILE 399 N 0.85 1.15 -1.00 2.54 2.04 -0.88 -1.60 117.51 120.61 3iuy h ILE 399 Ca 0.18 -0.45 0.20 0.00 1.00 0.00 0.00 64.86 65.79 3iuy h ILE 399 Cb 0.37 1.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.62 3iuy h ILE 399 CO 0.00 0.13 0.61 -0.09 0.00 0.00 0.00 178.15 178.81 3iuy h ARG 400 N -0.01 0.70 -0.02 2.37 2.43 -0.97 -0.31 114.38 118.57 3iuy h ARG 400 Ca 0.03 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 3iuy h ARG 400 Cb 0.17 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3iuy h ARG 400 CO -0.00 0.46 -0.82 0.87 -1.51 0.00 0.00 179.97 178.97 3iuy h LYS 401 N 0.72 0.26 -0.14 0.20 1.57 -1.22 -2.75 116.57 115.21 3iuy h LYS 401 Ca 0.57 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 3iuy h LYS 401 Cb 0.95 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3iuy h LYS 401 CO -0.36 0.95 -0.09 0.82 -0.57 0.00 0.00 179.45 180.19 3iuy h ILE 402 N 0.16 1.33 0.00 1.86 2.04 -0.26 -3.14 117.51 119.50 3iuy h ILE 402 Ca -0.04 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 3iuy h ILE 402 Cb 1.42 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3iuy h ILE 402 CO 0.13 0.34 -0.00 -0.07 0.00 0.00 0.00 178.15 178.56 3iuy h LEU 403 N -0.03 0.00 -0.85 1.44 3.38 -1.04 -2.41 115.31 115.79 3iuy h LEU 403 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3iuy h LEU 403 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3iuy h LEU 403 CO 0.03 0.00 0.01 -0.07 0.09 0.00 0.00 178.44 178.50 3iuy h LEU 404 N 0.00 0.84 0.00 1.67 4.07 -1.43 -2.78 115.31 117.68 3iuy h LEU 404 Ca -0.00 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3iuy h LEU 404 Cb 0.14 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3iuy h LEU 404 CO 0.00 0.89 -0.05 0.44 -1.08 0.00 0.00 178.44 178.64 3iuy h ASP 405 N 0.81 0.00 -3.94 -0.43 3.45 -1.55 -3.44 116.42 111.31 3iuy h ASP 405 Ca 0.16 -0.01 -0.47 0.00 0.43 0.00 0.00 57.03 57.13 3iuy h ASP 405 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3iuy h ASP 405 CO 0.02 0.01 0.36 -0.69 -1.57 0.00 0.00 179.24 177.37 3iuy s VAL 406 N -3.13 4.11 0.38 -1.35 1.01 -1.05 -3.51 120.40 116.86 3iuy s VAL 406 Ca 0.10 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.46 3iuy s VAL 406 Cb 0.11 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 3iuy s VAL 406 CO 0.62 0.01 0.96 0.00 0.00 0.00 0.00 175.10 176.70 3iuy s ARG 407 N -2.39 4.36 0.46 2.72 1.70 -1.24 -4.95 118.95 119.60 3iuy s ARG 407 Ca 0.55 1.27 0.22 0.00 -0.47 0.00 0.00 55.73 57.30 3iuy s ARG 407 Cb -0.18 -2.50 1.11 0.00 -0.57 0.00 0.00 34.95 32.81 3iuy s ARG 407 CO 0.23 0.08 1.94 -1.00 -1.08 0.00 0.00 175.30 175.47 3iuy h PRO 408 N 2.54 0.00 -3.82 3.89 0.13 -1.93 -3.33 132.00 129.49 3iuy h PRO 408 Ca -0.48 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.88 3iuy h PRO 408 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3iuy h PRO 408 CO 0.63 0.22 1.29 -0.40 -0.23 0.00 0.00 178.00 179.51 3iuy n ASP 409 N -3.72 5.46 -4.28 1.44 5.75 -1.26 -4.95 116.55 114.99 3iuy n ASP 409 Ca -0.01 -3.11 -0.15 0.00 -0.01 0.00 0.00 54.79 51.50 3iuy n ASP 409 Cb 0.33 -1.45 -0.10 0.00 -1.03 0.00 0.00 41.12 38.87 3iuy n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iuy s ARG 410 N -0.12 1.18 -0.09 0.11 1.70 -1.25 -4.93 118.95 115.55 3iuy s ARG 410 Ca 0.38 -1.56 -0.06 0.00 -0.47 0.00 0.00 55.73 54.01 3iuy s ARG 410 Cb 0.01 -0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 3iuy s ARG 410 CO 0.01 -0.04 0.15 -1.14 -1.08 0.00 0.00 175.30 173.20 3iuy s GLN 411 N -3.83 3.45 -0.06 3.89 0.74 0.95 -5.01 119.66 119.78 3iuy s GLN 411 Ca 0.23 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.48 3iuy s GLN 411 Cb 0.05 -3.17 0.02 0.00 1.10 0.00 0.00 33.01 31.01 3iuy s GLN 411 CO 0.05 0.76 -0.05 0.99 -0.55 0.00 0.00 175.29 176.48 3iuy s THR 412 N -1.09 0.67 -0.06 -0.34 2.01 -1.26 -0.32 115.64 115.24 3iuy s THR 412 Ca 0.18 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.05 3iuy s THR 412 Cb -0.12 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 3iuy s THR 412 CO 0.07 0.27 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.44 3iuy s VAL 413 N 1.20 2.99 -0.04 3.82 1.01 0.02 -2.49 120.40 126.91 3iuy s VAL 413 Ca -0.06 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3iuy s VAL 413 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3iuy s VAL 413 CO -0.02 0.58 -0.18 -0.32 0.00 0.00 0.00 175.10 175.16 3iuy s MET 414 N -0.49 1.77 0.27 2.72 1.75 -0.45 -0.97 119.30 123.90 3iuy s MET 414 Ca 0.06 -0.64 0.10 0.00 -1.25 0.00 0.00 55.69 53.96 3iuy s MET 414 Cb -0.12 -1.57 -0.04 0.00 2.84 0.00 0.00 34.83 35.94 3iuy s MET 414 CO 0.02 0.29 -0.03 0.95 -0.65 0.00 0.00 175.02 175.59 3iuy s THR 415 N -0.09 3.25 -0.27 10.11 -4.23 -0.66 -0.78 115.64 122.98 3iuy s THR 415 Ca -0.01 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 3iuy s THR 415 Cb -0.11 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.11 3iuy s THR 415 CO 0.02 -0.37 1.11 -0.55 -0.54 0.00 0.00 174.62 174.29 3iuy s SER 416 N -3.65 -0.37 0.38 3.99 0.15 -0.73 -0.82 113.70 112.66 3iuy s SER 416 Ca 0.31 0.68 0.26 0.00 0.70 0.00 0.00 55.95 57.90 3iuy s SER 416 Cb -0.06 0.68 0.71 0.00 -1.71 0.00 0.00 66.02 65.64 3iuy s SER 416 CO 0.19 -0.14 1.73 0.00 1.20 0.00 0.00 173.24 176.22 3iuy h ALA 417 N 3.83 1.00 -2.51 5.45 0.00 -1.87 -0.46 119.26 124.70 3iuy h ALA 417 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 3iuy h ALA 417 Cb 1.18 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 3iuy h ALA 417 CO 0.14 0.00 -0.59 0.95 0.00 0.00 0.00 179.25 179.75 3iuy s THR 418 N -3.27 0.07 -0.32 0.00 -4.23 -1.26 -4.51 115.64 102.12 3iuy s THR 418 Ca 0.07 -1.86 0.18 0.00 -1.18 0.00 0.00 61.69 58.90 3iuy s THR 418 Cb 0.08 -2.15 0.47 0.00 1.34 0.00 0.00 72.50 72.24 3iuy s THR 418 CO 0.60 -0.31 1.00 1.87 -0.54 0.00 0.00 174.62 177.25 3iuy n TRP 419 N -0.16 1.39 -1.62 3.99 -0.00 -1.26 -4.84 117.44 114.93 3iuy n TRP 419 Ca -0.04 -2.66 -0.29 0.00 -0.00 0.00 0.00 57.50 54.52 3iuy n TRP 419 Cb 0.64 -0.32 0.11 0.00 -0.00 0.00 0.00 31.31 31.74 3iuy n TRP 419 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3iuy s PRO 420 N -3.32 1.55 0.43 5.87 0.04 -1.26 -4.75 135.00 133.57 3iuy s PRO 420 Ca 0.29 0.34 0.15 0.00 0.04 0.00 0.00 61.00 61.82 3iuy s PRO 420 Cb 0.42 -1.88 1.05 0.00 0.04 0.00 0.00 34.50 34.13 3iuy s PRO 420 CO 0.00 -1.93 1.95 -0.44 0.04 0.00 0.00 177.00 176.63 3iuy h ASP 421 N -1.30 0.37 -0.26 6.66 3.32 -1.99 -1.51 116.42 121.71 3iuy h ASP 421 Ca -0.49 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 3iuy h ASP 421 Cb 1.32 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3iuy h ASP 421 CO 0.62 0.21 -0.25 0.71 -1.72 0.00 0.00 179.24 178.81 3iuy h THR 422 N 0.41 1.27 -0.11 0.35 1.35 -2.00 -0.95 112.91 113.24 3iuy h THR 422 Ca 0.32 -1.37 -0.21 0.00 -0.55 0.00 0.00 66.41 64.60 3iuy h THR 422 Cb 0.71 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3iuy h THR 422 CO -0.10 0.45 -0.79 0.58 -0.25 0.00 0.00 175.52 175.42 3iuy h VAL 423 N 0.64 1.32 -0.42 6.82 2.07 -1.67 -2.23 116.25 122.78 3iuy h VAL 423 Ca 0.08 -2.08 0.05 0.00 0.82 0.00 0.00 66.70 65.58 3iuy h VAL 423 Cb 0.76 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 3iuy h VAL 423 CO 0.06 0.64 0.13 0.03 0.02 0.00 0.00 177.57 178.46 3iuy h ARG 424 N 0.42 0.28 -0.02 1.57 3.08 -1.15 0.89 114.38 119.45 3iuy h ARG 424 Ca -0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3iuy h ARG 424 Cb 1.40 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 3iuy h ARG 424 CO 0.15 0.19 0.01 1.96 -1.07 0.00 0.00 179.97 181.20 3iuy h GLN 425 N 0.29 0.03 -0.42 0.04 7.50 -1.17 -2.46 115.11 118.91 3iuy h GLN 425 Ca 0.20 -0.00 0.08 0.00 0.50 0.00 0.00 58.65 59.43 3iuy h GLN 425 Cb 0.20 -0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.64 3iuy h GLN 425 CO -0.21 0.17 -0.09 1.25 -1.50 0.00 0.00 178.83 178.45 3iuy h LEU 426 N -0.12 -0.36 -0.20 1.46 5.85 -1.26 -2.63 115.31 118.04 3iuy h LEU 426 Ca 0.01 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3iuy h LEU 426 Cb 0.15 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3iuy h LEU 426 CO -0.00 -0.13 -0.41 0.00 -0.34 0.00 0.00 178.44 177.57 3iuy h ALA 427 N 1.42 -0.51 0.00 1.25 0.00 -0.62 0.11 119.26 120.91 3iuy h ALA 427 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iuy h ALA 427 Cb 0.31 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3iuy h ALA 427 CO -0.42 -0.89 0.00 1.28 0.00 0.00 0.00 179.25 179.22 3iuy n LEU 428 N -5.43 0.37 0.01 0.00 4.32 -0.94 -0.20 117.00 115.12 3iuy n LEU 428 Ca -0.03 0.65 0.13 0.00 -0.02 0.00 0.00 56.01 56.74 3iuy n LEU 428 Cb 0.35 -0.66 0.47 0.00 -1.62 0.00 0.00 43.42 41.97 3iuy n LEU 428 CO 0.10 -0.68 0.77 -1.54 -1.22 0.00 0.00 177.39 174.82 3iuy n SER 429 N -1.97 0.24 -0.06 -1.43 3.41 0.38 -3.92 113.62 110.27 3iuy n SER 429 Ca 0.00 0.25 -0.07 0.00 -0.26 0.00 0.00 58.87 58.80 3iuy n SER 429 Cb 0.08 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 3iuy n SER 429 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3iuy n TYR 430 N -1.57 0.00 -4.14 7.33 4.01 0.72 -5.06 117.16 118.44 3iuy n TYR 430 Ca 0.06 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.51 3iuy n TYR 430 Cb 0.35 -0.63 -0.08 0.00 -0.31 0.00 0.00 39.34 38.67 3iuy n TYR 430 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3iuy s LEU 431 N -5.01 3.43 -0.06 7.72 1.43 -0.37 -4.92 118.68 120.90 3iuy s LEU 431 Ca -0.07 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3iuy s LEU 431 Cb 0.04 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3iuy s LEU 431 CO 0.52 0.15 -0.15 -0.54 0.23 0.00 0.00 176.35 176.56 3iuy s LYS 432 N -2.47 2.66 -1.16 1.70 1.02 -1.26 -4.74 119.74 115.50 3iuy s LYS 432 Ca 0.26 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 3iuy s LYS 432 Cb -0.11 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3iuy s LYS 432 CO 0.18 0.52 0.56 -0.25 -0.92 0.00 0.00 175.35 175.44 3iuy n ASP 433 N 2.60 -3.26 -4.88 2.83 8.00 -1.26 -4.41 116.55 116.17 3iuy n ASP 433 Ca -0.17 -1.21 -0.30 0.00 0.71 0.00 0.00 54.79 53.82 3iuy n ASP 433 Cb 0.52 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 3iuy n ASP 433 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3iuy s PRO 434 N -7.30 3.73 0.39 -0.24 0.04 -1.26 -4.47 135.00 125.88 3iuy s PRO 434 Ca 0.41 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.85 3iuy s PRO 434 Cb -0.23 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 3iuy s PRO 434 CO 0.90 0.03 0.48 -1.64 0.04 0.00 0.00 177.00 176.81 3iuy s MET 435 N -3.79 2.82 -0.00 4.56 -1.94 -0.52 -1.46 119.30 118.96 3iuy s MET 435 Ca 0.49 -1.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.24 3iuy s MET 435 Cb -0.10 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 3iuy s MET 435 CO 0.31 -0.14 -0.09 -1.50 -0.01 0.00 0.00 175.02 173.59 3iuy s ILE 436 N -2.33 0.70 -0.12 2.53 2.07 -0.17 -0.75 121.20 123.13 3iuy s ILE 436 Ca 0.50 -0.44 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 3iuy s ILE 436 Cb -0.08 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 41.92 3iuy s ILE 436 CO 0.31 0.15 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.60 3iuy s VAL 437 N -0.30 1.89 -0.28 4.00 1.01 0.45 -1.96 120.40 125.21 3iuy s VAL 437 Ca 0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3iuy s VAL 437 Cb -0.04 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.76 3iuy s VAL 437 CO -0.00 0.52 0.09 -0.47 0.00 0.00 0.00 175.10 175.23 3iuy s TYR 438 N 0.74 1.28 -2.00 5.22 6.04 -0.52 -0.60 117.35 127.50 3iuy s TYR 438 Ca -0.10 -1.35 0.03 0.00 0.04 0.00 0.00 57.07 55.69 3iuy s TYR 438 Cb -0.16 -1.38 0.18 0.00 -1.04 0.00 0.00 41.96 39.56 3iuy s TYR 438 CO 0.01 -0.80 0.66 0.28 -1.54 0.00 0.00 175.55 174.16