#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibj h THR 224 N 0.00 0.09 -0.08 2.97 2.02 -2.06 -2.24 112.91 113.61 3ibj h THR 224 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 3ibj h THR 224 Cb 0.00 0.72 0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3ibj h THR 224 CO 0.00 0.00 -0.87 -0.78 0.37 0.00 0.00 175.52 174.24 3ibj h ASP 225 N 0.00 0.90 -0.22 4.18 3.58 -2.06 -2.63 116.42 120.17 3ibj h ASP 225 Ca 0.03 -0.68 -0.08 0.00 0.42 0.00 0.00 57.03 56.72 3ibj h ASP 225 Cb 0.62 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 3ibj h ASP 225 CO -0.00 1.45 -0.19 0.03 -2.88 0.00 0.00 179.24 177.65 3ibj h ARG 226 N 0.42 0.52 -0.81 0.28 3.08 -1.88 -2.34 114.38 113.65 3ibj h ARG 226 Ca -0.09 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3ibj h ARG 226 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 3ibj h ARG 226 CO 0.17 0.84 0.00 -0.25 -1.07 0.00 0.00 179.97 179.66 3ibj n ASP 227 N -4.44 0.56 0.03 7.04 8.00 -0.89 0.39 116.55 127.24 3ibj n ASP 227 Ca -0.05 -0.65 -0.00 0.00 0.71 0.00 0.00 54.79 54.80 3ibj n ASP 227 Cb 0.40 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3ibj n ASP 227 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ibj n ARG 228 N 0.52 0.00 -0.06 -1.24 1.74 -0.91 -4.50 116.66 112.20 3ibj n ARG 228 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3ibj n ARG 228 Cb 0.11 -0.50 0.27 0.00 -1.02 0.00 0.00 32.46 31.32 3ibj n ARG 228 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3ibj h LYS 229 N -0.00 0.67 -0.04 5.56 1.57 0.31 -1.48 116.57 123.15 3ibj h LYS 229 Ca -0.00 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3ibj h LYS 229 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ibj h LYS 229 CO -0.00 0.61 -0.11 0.82 -0.57 0.00 0.00 179.45 180.20 3ibj h ILE 230 N 0.65 1.44 -0.94 1.86 1.08 -0.76 -0.28 117.51 120.56 3ibj h ILE 230 Ca 0.15 -1.48 0.06 0.00 -0.39 0.00 0.00 64.86 63.20 3ibj h ILE 230 Cb 0.25 2.31 -0.06 0.00 -3.07 0.00 0.00 36.82 36.26 3ibj h ILE 230 CO -0.00 0.40 0.61 0.25 -0.69 0.00 0.00 178.15 178.72 3ibj h LEU 231 N -0.38 0.97 -1.47 1.44 7.12 -1.76 0.33 115.31 121.56 3ibj h LEU 231 Ca -0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 3ibj h LEU 231 Cb 0.71 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 3ibj h LEU 231 CO 0.02 0.64 -0.24 -0.61 -0.13 0.00 0.00 178.44 178.12 3ibj h GLN 232 N 1.11 0.04 0.39 1.25 4.15 -1.14 -0.80 115.11 120.11 3ibj h GLN 232 Ca 0.39 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 3ibj h GLN 232 Cb 0.13 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ibj h GLN 232 CO -0.14 0.28 -0.19 1.25 -1.93 0.00 0.00 178.83 178.10 3ibj h LEU 233 N 0.03 -0.44 -2.12 -2.39 5.85 0.14 -3.12 115.31 113.27 3ibj h LEU 233 Ca 0.00 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.70 3ibj h LEU 233 Cb 0.44 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ibj h LEU 233 CO 0.03 -0.00 0.25 0.00 -0.34 0.00 0.00 178.44 178.37 3ibj h GLY 235 N 0.00 1.02 1.58 0.00 0.00 -1.13 -2.88 103.07 101.66 3ibj h GLY 235 Ca 0.13 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.84 3ibj h GLY 235 CO -0.00 0.38 -1.26 0.83 0.00 0.00 0.00 176.54 176.49 3ibj h GLU 236 N 0.98 0.00 -3.35 4.80 4.39 0.34 -3.39 114.58 118.35 3ibj h GLU 236 Ca 0.26 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.54 3ibj h GLU 236 Cb -0.10 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3ibj h GLU 236 CO -0.06 0.76 2.81 1.28 -1.16 0.00 0.00 179.01 182.64 3ibj n LEU 237 N -3.21 5.62 -0.71 1.33 4.77 0.13 -4.27 117.00 120.67 3ibj n LEU 237 Ca -0.07 -3.15 0.07 0.00 -0.03 0.00 0.00 56.01 52.83 3ibj n LEU 237 Cb 0.97 -1.18 0.20 0.00 -2.33 0.00 0.00 43.42 41.09 3ibj n LEU 237 CO 0.46 0.89 0.66 0.00 -1.33 0.00 0.00 177.39 178.07 3ibj n TYR 238 N 4.08 0.68 -2.06 -1.77 0.18 -1.26 -4.97 117.16 112.03 3ibj n TYR 238 Ca 0.50 -0.75 -0.33 0.00 1.88 0.00 0.00 57.90 59.20 3ibj n TYR 238 Cb 0.15 -0.20 0.01 0.00 -0.38 0.00 0.00 39.34 38.92 3ibj n TYR 238 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3ibj s ASP 239 N -1.68 5.68 0.10 9.48 1.11 -1.26 -4.98 116.67 125.13 3ibj s ASP 239 Ca 0.33 1.92 0.22 0.00 0.18 0.00 0.00 52.55 55.21 3ibj s ASP 239 Cb 0.25 -2.55 -0.14 0.00 1.07 0.00 0.00 42.92 41.55 3ibj s ASP 239 CO 0.10 -1.24 0.80 0.18 1.18 0.00 0.00 175.17 176.19 3ibj n LEU 240 N -1.90 0.50 -4.57 1.23 4.77 -1.26 -4.83 117.00 110.94 3ibj n LEU 240 Ca 0.10 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.87 3ibj n LEU 240 Cb 0.52 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 3ibj n LEU 240 CO 0.46 -0.10 0.06 -0.62 -1.33 0.00 0.00 177.39 175.85 3ibj s ASP 241 N -5.02 6.21 0.66 -1.43 2.15 -1.26 -4.95 116.67 113.02 3ibj s ASP 241 Ca -0.04 0.02 0.30 0.00 0.43 0.00 0.00 52.55 53.26 3ibj s ASP 241 Cb 0.11 -2.21 1.60 0.00 -0.30 0.00 0.00 42.92 42.13 3ibj s ASP 241 CO 0.84 -0.27 1.91 0.00 -0.17 0.00 0.00 175.17 177.48 3ibj h ALA 242 N 8.34 1.44 0.15 3.66 0.00 -1.88 -0.05 119.26 130.92 3ibj h ALA 242 Ca -0.31 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 3ibj h ALA 242 Cb 1.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.98 3ibj h ALA 242 CO 0.67 -0.38 -1.23 0.77 0.00 0.00 0.00 179.25 179.08 3ibj h SER 243 N 0.00 0.82 0.93 0.00 0.02 -1.96 -2.62 113.55 110.74 3ibj h SER 243 Ca 0.02 -0.86 -0.02 0.00 -0.84 0.00 0.00 61.79 60.10 3ibj h SER 243 Cb 0.73 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3ibj h SER 243 CO -0.00 1.60 -0.11 0.28 -1.14 0.00 0.00 176.83 177.46 3ibj h SER 244 N 0.17 0.00 0.22 3.07 0.02 -1.43 -2.51 113.55 113.09 3ibj h SER 244 Ca -0.20 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.45 3ibj h SER 244 Cb 1.93 0.00 0.04 0.00 0.14 0.00 0.00 62.40 64.50 3ibj h SER 244 CO 0.24 0.11 -1.32 -0.07 -1.14 0.00 0.00 176.83 174.64 3ibj h LEU 245 N 0.00 0.78 -1.41 5.07 3.38 -1.50 -3.17 115.31 118.47 3ibj h LEU 245 Ca -0.00 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.07 3ibj h LEU 245 Cb 0.60 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3ibj h LEU 245 CO 0.01 1.64 0.41 1.56 0.09 0.00 0.00 178.44 182.15 3ibj h GLN 246 N 0.06 0.78 0.52 1.13 4.20 -1.12 -2.19 115.11 118.50 3ibj h GLN 246 Ca -0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3ibj h GLN 246 Cb 2.04 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 3ibj h GLN 246 CO 0.25 0.52 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.49 3ibj h LEU 247 N 0.81 -0.97 -0.82 1.46 3.38 -1.50 0.32 115.31 117.99 3ibj h LEU 247 Ca 0.23 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.40 3ibj h LEU 247 Cb -0.05 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 3ibj h LEU 247 CO -0.05 -0.54 0.42 0.11 0.09 0.00 0.00 178.44 178.46 3ibj h LYS 248 N -0.85 0.61 -0.64 1.13 1.57 -1.51 0.70 116.57 117.58 3ibj h LYS 248 Ca -0.07 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3ibj h LYS 248 Cb 0.70 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3ibj h LYS 248 CO 0.03 0.40 0.18 0.28 -0.57 0.00 0.00 179.45 179.78 3ibj h VAL 249 N 0.62 1.25 -0.13 0.50 2.07 -1.11 -2.21 116.25 117.24 3ibj h VAL 249 Ca 0.44 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3ibj h VAL 249 Cb 0.58 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ibj h VAL 249 CO -0.34 0.34 -0.22 -0.07 0.02 0.00 0.00 177.57 177.30 3ibj h LEU 250 N 0.93 0.42 0.00 2.57 4.07 0.96 -2.50 115.31 121.76 3ibj h LEU 250 Ca 0.20 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.63 3ibj h LEU 250 Cb 0.32 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.94 3ibj h LEU 250 CO -0.00 0.88 0.00 0.00 -1.08 0.00 0.00 178.44 178.23 3ibj n GLN 251 N -4.48 0.14 -0.01 1.13 3.00 0.23 0.11 117.38 117.49 3ibj n GLN 251 Ca -0.07 0.19 -0.21 0.00 -0.01 0.00 0.00 57.00 56.90 3ibj n GLN 251 Cb 0.42 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.02 3ibj n GLN 251 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 3ibj n TYR 252 N -1.34 1.21 0.14 1.08 -0.00 -0.84 -4.05 117.16 113.36 3ibj n TYR 252 Ca 0.05 0.28 -0.01 0.00 -0.00 0.00 0.00 57.90 58.22 3ibj n TYR 252 Cb 0.12 -1.15 0.16 0.00 -0.00 0.00 0.00 39.34 38.46 3ibj n TYR 252 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3ibj h LEU 253 N -0.04 0.00 -1.66 2.98 3.38 -0.84 -1.74 115.31 117.38 3ibj h LEU 253 Ca -0.42 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.67 3ibj h LEU 253 Cb 1.96 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 3ibj h LEU 253 CO 0.05 0.62 0.43 -0.61 0.09 0.00 0.00 178.44 179.02 3ibj h GLN 254 N 0.00 0.35 0.00 1.13 4.15 -0.50 -2.98 115.11 117.26 3ibj h GLN 254 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ibj h GLN 254 Cb 1.15 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3ibj h GLN 254 CO 0.08 0.23 0.00 1.04 -1.93 0.00 0.00 178.83 178.25 3ibj n GLN 255 N -4.46 0.00 0.00 1.69 6.02 -0.72 -2.65 117.38 117.26 3ibj n GLN 255 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3ibj n GLN 255 Cb 0.44 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.61 3ibj n GLN 255 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3ibj n GLU 256 N 0.00 0.00 0.00 -1.09 -0.58 -0.79 0.22 120.64 118.40 3ibj n GLU 256 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ibj n GLU 256 Cb 0.00 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 3ibj n GLU 256 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3ibj n THR 257 N -0.43 0.00 -3.88 2.62 -2.24 -1.13 -5.00 114.28 104.22 3ibj n THR 257 Ca 0.00 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 3ibj n THR 257 Cb 0.12 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3ibj n THR 257 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ibj n ARG 258 N -0.09 -2.40 -4.50 -0.78 1.74 0.60 -4.72 116.66 106.51 3ibj n ARG 258 Ca 0.00 0.39 -0.34 0.00 -0.77 0.00 0.00 57.85 57.13 3ibj n ARG 258 Cb 0.10 -4.25 -0.10 0.00 -1.02 0.00 0.00 32.46 27.19 3ibj n ARG 258 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ibj s ALA 259 N -3.78 3.12 0.18 7.54 0.00 -1.08 0.28 121.76 128.01 3ibj s ALA 259 Ca 0.18 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 3ibj s ALA 259 Cb -0.07 -1.33 0.07 0.00 0.00 0.00 0.00 23.12 21.79 3ibj s ALA 259 CO 0.89 0.59 1.67 0.66 0.00 0.00 0.00 175.76 179.57 3ibj h SER 260 N 5.12 0.96 -5.11 0.00 4.64 -0.73 -3.43 113.55 115.01 3ibj h SER 260 Ca -0.50 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 60.46 3ibj h SER 260 Cb 1.18 -0.25 -0.16 0.00 -0.31 0.00 0.00 62.40 62.85 3ibj h SER 260 CO 0.53 0.97 -0.44 -0.13 -0.87 0.00 0.00 176.83 176.89 3ibj s ARG 261 N -5.24 0.70 0.03 4.77 1.81 -1.26 -5.05 118.95 114.71 3ibj s ARG 261 Ca -0.12 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.12 3ibj s ARG 261 Cb 0.13 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.89 3ibj s ARG 261 CO 0.83 -0.20 -0.05 0.00 -0.68 0.00 0.00 175.30 175.20 3ibj s LEU 264 N -1.55 3.30 -0.30 0.00 1.43 -1.26 -0.44 118.68 119.86 3ibj s LEU 264 Ca -0.07 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3ibj s LEU 264 Cb -0.00 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.52 3ibj s LEU 264 CO 0.04 0.35 0.03 -0.76 0.23 0.00 0.00 176.35 176.23 3ibj s LEU 265 N -0.71 3.92 -0.26 1.79 1.43 -0.36 -4.52 118.68 119.97 3ibj s LEU 265 Ca 0.11 -1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 51.84 3ibj s LEU 265 Cb -0.11 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3ibj s LEU 265 CO 0.02 -0.26 0.77 -0.76 0.23 0.00 0.00 176.35 176.35 3ibj s LEU 266 N 1.32 4.08 0.19 1.79 1.02 0.18 0.28 118.68 127.54 3ibj s LEU 266 Ca -0.03 0.85 -0.32 0.00 0.02 0.00 0.00 54.13 54.66 3ibj s LEU 266 Cb -0.19 -3.07 -0.11 0.00 0.02 0.00 0.00 46.19 42.84 3ibj s LEU 266 CO -0.00 -0.50 1.65 -0.69 0.02 0.00 0.00 176.35 176.83 3ibj s VAL 267 N 2.78 2.29 0.61 -1.59 1.01 -0.34 -1.74 120.40 123.43 3ibj s VAL 267 Ca 0.32 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 3ibj s VAL 267 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3ibj s VAL 267 CO 0.09 0.02 1.21 -0.94 0.00 0.00 0.00 175.10 175.47 3ibj s SER 268 N 1.16 5.06 0.24 3.32 1.04 0.16 -4.86 113.70 119.82 3ibj s SER 268 Ca 0.73 2.38 -0.07 0.00 0.48 0.00 0.00 55.95 59.47 3ibj s SER 268 Cb -0.47 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.49 3ibj s SER 268 CO 0.32 -1.68 1.65 -0.33 0.98 0.00 0.00 173.24 174.18 3ibj h GLU 269 N 0.71 0.15 -0.04 4.02 5.08 -1.92 1.12 114.58 123.70 3ibj h GLU 269 Ca -0.50 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3ibj h GLU 269 Cb 1.30 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3ibj h GLU 269 CO 0.54 0.10 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 3ibj n ASP 270 N -5.28 0.04 -4.24 1.42 5.68 -1.26 -4.87 116.55 108.04 3ibj n ASP 270 Ca 0.13 -1.89 -0.37 0.00 -0.50 0.00 0.00 54.79 52.16 3ibj n ASP 270 Cb 0.46 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 3ibj n ASP 270 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3ibj n ASN 271 N -0.48 -2.58 -0.08 -1.12 3.02 0.39 -4.79 115.26 109.62 3ibj n ASN 271 Ca 0.00 -1.01 0.02 0.00 -0.03 0.00 0.00 54.58 53.55 3ibj n ASN 271 Cb 0.01 -2.17 0.02 0.00 -0.61 0.00 0.00 39.78 37.03 3ibj n ASN 271 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibj n LEU 272 N -4.11 1.11 -3.64 3.41 -0.00 -1.26 -4.90 117.00 107.61 3ibj n LEU 272 Ca 0.09 -1.36 -0.09 0.00 -0.00 0.00 0.00 56.01 54.65 3ibj n LEU 272 Cb 0.47 -0.07 -0.07 0.00 -0.00 0.00 0.00 43.42 43.76 3ibj n LEU 272 CO 0.85 0.33 0.52 -1.10 -0.00 0.00 0.00 177.39 177.99 3ibj s GLN 273 N -0.82 0.65 -0.08 1.47 -0.21 -1.26 -2.38 119.66 117.04 3ibj s GLN 273 Ca 0.05 0.91 -0.14 0.00 0.02 0.00 0.00 55.36 56.19 3ibj s GLN 273 Cb 0.04 0.25 -0.05 0.00 1.00 0.00 0.00 33.01 34.25 3ibj s GLN 273 CO 0.00 -0.10 0.35 -0.51 -2.12 0.00 0.00 175.29 172.92 3ibj s LEU 274 N 0.80 4.37 0.05 2.90 1.43 -0.63 0.37 118.68 127.97 3ibj s LEU 274 Ca -0.03 0.75 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3ibj s LEU 274 Cb -0.05 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3ibj s LEU 274 CO -0.08 0.23 -0.15 -0.44 0.23 0.00 0.00 176.35 176.14 3ibj s SER 275 N -0.40 1.74 -0.12 2.29 0.01 -0.71 -1.64 113.70 114.87 3ibj s SER 275 Ca 0.21 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 3ibj s SER 275 Cb -0.15 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.04 3ibj s SER 275 CO 0.09 0.03 0.18 0.00 0.41 0.00 0.00 173.24 173.95 3ibj n LYS 277 N 5.32 1.63 -3.63 0.00 2.85 -1.26 -1.43 118.16 121.64 3ibj n LYS 277 Ca -0.05 -1.53 -0.12 0.00 -1.05 0.00 0.00 58.31 55.55 3ibj n LYS 277 Cb 0.50 -1.21 -0.12 0.00 -0.65 0.00 0.00 35.03 33.55 3ibj n LYS 277 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3ibj s VAL 278 N -0.90 -0.47 -0.21 0.58 1.01 -1.26 -1.16 120.40 117.98 3ibj s VAL 278 Ca 0.16 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.36 3ibj s VAL 278 Cb 0.09 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.99 3ibj s VAL 278 CO 0.13 0.08 -0.11 -0.63 0.00 0.00 0.00 175.10 174.56 3ibj s ILE 279 N 2.47 1.77 0.00 2.22 1.01 -0.52 -4.17 121.20 123.97 3ibj s ILE 279 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.54 3ibj s ILE 279 Cb -0.12 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.51 3ibj s ILE 279 CO -0.10 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3ibj n GLY 280 N 4.63 2.61 0.66 6.18 0.00 0.22 -1.74 105.19 117.75 3ibj n GLY 280 Ca -0.15 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.78 3ibj n GLY 280 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ibj n ASP 281 N 9.58 3.06 -4.42 1.61 5.75 -1.26 -4.55 116.55 126.31 3ibj n ASP 281 Ca 0.00 -2.18 -0.37 0.00 -0.01 0.00 0.00 54.79 52.23 3ibj n ASP 281 Cb 0.00 -0.28 -0.12 0.00 -1.03 0.00 0.00 41.12 39.69 3ibj n ASP 281 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3ibj s LYS 282 N -1.33 3.47 -0.57 0.11 2.36 -0.71 -5.06 119.74 118.02 3ibj s LYS 282 Ca 0.26 -0.60 -0.24 0.00 -2.55 0.00 0.00 55.97 52.83 3ibj s LYS 282 Cb 0.16 -3.38 0.04 0.00 -1.05 0.00 0.00 37.83 33.60 3ibj s LYS 282 CO 0.14 -0.29 0.96 0.08 1.55 0.00 0.00 175.35 177.80 3ibj s VAL 283 N 1.59 4.35 0.21 4.02 1.01 -1.26 -1.44 120.40 128.87 3ibj s VAL 283 Ca 0.05 0.22 -0.32 0.00 0.00 0.00 0.00 61.98 61.93 3ibj s VAL 283 Cb -0.16 -4.58 -0.14 0.00 0.00 0.00 0.00 36.38 31.51 3ibj s VAL 283 CO 0.04 -1.19 1.44 0.18 0.00 0.00 0.00 175.10 175.57 3ibj n LEU 284 N 7.59 2.95 0.28 3.92 4.77 -0.31 -4.90 117.00 131.30 3ibj n LEU 284 Ca 0.01 1.13 0.12 0.00 -0.03 0.00 0.00 56.01 57.24 3ibj n LEU 284 Cb 0.47 -1.41 0.79 0.00 -2.33 0.00 0.00 43.42 40.94 3ibj n LEU 284 CO 0.64 -0.50 1.08 1.23 -1.33 0.00 0.00 177.39 178.51 3ibj h GLY 285 N 4.64 0.00 -7.20 -0.72 0.00 -1.94 -3.39 103.07 94.46 3ibj h GLY 285 Ca -0.45 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.47 3ibj h GLY 285 CO 0.79 0.00 -0.75 -0.54 0.00 0.00 0.00 176.54 176.04 3ibj s GLU 286 N -4.71 0.14 0.08 4.80 0.41 -1.26 -5.12 118.70 113.04 3ibj s GLU 286 Ca -0.05 0.20 -0.35 0.00 -0.41 0.00 0.00 54.97 54.36 3ibj s GLU 286 Cb 0.15 -0.91 -0.15 0.00 -1.78 0.00 0.00 34.13 31.45 3ibj s GLU 286 CO 0.60 -0.39 1.55 -1.91 -0.49 0.00 0.00 175.26 174.61 3ibj n GLU 287 N 5.25 1.76 -3.28 1.61 2.13 -1.26 -4.95 120.64 121.90 3ibj n GLU 287 Ca -0.05 0.64 -0.30 0.00 0.66 0.00 0.00 57.16 58.10 3ibj n GLU 287 Cb 0.50 -2.37 -0.04 0.00 0.27 0.00 0.00 31.44 29.80 3ibj n GLU 287 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3ibj s VAL 288 N 1.32 4.93 0.17 6.31 1.01 -0.51 -4.94 120.40 128.69 3ibj s VAL 288 Ca 0.84 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 3ibj s VAL 288 Cb -0.80 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 31.96 3ibj s VAL 288 CO 0.44 -0.25 0.56 -0.94 0.00 0.00 0.00 175.10 174.91 3ibj s SER 289 N -2.80 -0.44 -0.26 3.32 1.04 -1.26 -1.42 113.70 111.87 3ibj s SER 289 Ca 0.47 -0.16 -0.28 0.00 0.48 0.00 0.00 55.95 56.46 3ibj s SER 289 Cb -0.11 0.58 0.17 0.00 0.10 0.00 0.00 66.02 66.76 3ibj s SER 289 CO 0.26 -0.98 1.25 0.72 0.98 0.00 0.00 173.24 175.47 3ibj s PHE 290 N -3.79 -0.18 0.20 5.02 -0.12 -0.65 -5.02 117.98 113.44 3ibj s PHE 290 Ca 0.03 0.36 -0.28 0.00 -0.05 0.00 0.00 56.93 56.99 3ibj s PHE 290 Cb -0.01 0.46 -0.17 0.00 -0.63 0.00 0.00 43.02 42.68 3ibj s PHE 290 CO -0.10 -0.13 0.54 -0.35 -0.05 0.00 0.00 175.22 175.12 3ibj n PRO 291 N 1.06 0.05 -2.17 1.99 -0.04 -1.26 -1.61 135.00 133.01 3ibj n PRO 291 Ca -0.07 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 3ibj n PRO 291 Cb 0.58 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.99 3ibj n PRO 291 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3ibj n LEU 292 N 1.97 4.75 0.00 1.53 0.00 -1.00 -4.58 117.00 119.67 3ibj n LEU 292 Ca 0.18 -3.68 0.00 0.00 0.00 0.00 0.00 56.01 52.50 3ibj n LEU 292 Cb 0.25 -1.67 0.00 0.00 0.00 0.00 0.00 43.42 42.00 3ibj n LEU 292 CO 0.56 -0.21 0.00 0.35 0.00 0.00 0.00 177.39 178.09 3ibj n THR 293 N 6.47 0.00 -0.02 1.96 -2.24 -1.26 -4.58 114.28 114.62 3ibj n THR 293 Ca 0.49 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.24 3ibj n THR 293 Cb 0.44 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3ibj n THR 293 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibj n GLY 294 N 0.00 -0.05 0.12 3.38 0.00 -1.26 -3.85 105.19 103.53 3ibj n GLY 294 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3ibj n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibj n LEU 296 N -3.62 0.64 -0.50 0.00 4.77 -1.26 -4.00 117.00 113.03 3ibj n LEU 296 Ca -0.05 0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3ibj n LEU 296 Cb 0.87 -0.14 0.33 0.00 -2.33 0.00 0.00 43.42 42.15 3ibj n LEU 296 CO 0.50 0.00 0.68 0.61 -1.33 0.00 0.00 177.39 177.85 3ibj n GLY 297 N 1.36 0.01 0.02 -0.72 0.00 -1.16 -3.67 105.19 101.03 3ibj n GLY 297 Ca 0.03 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.65 3ibj n GLY 297 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ibj n GLN 298 N 0.12 0.16 -0.02 1.61 1.13 -0.83 -3.52 117.38 116.04 3ibj n GLN 298 Ca 0.15 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 3ibj n GLN 298 Cb 0.41 -1.55 -0.10 0.00 0.11 0.00 0.00 30.24 29.11 3ibj n GLN 298 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3ibj h VAL 299 N 0.00 1.41 -0.99 5.09 2.07 -1.77 -2.26 116.25 119.81 3ibj h VAL 299 Ca 0.00 -1.30 0.16 0.00 0.82 0.00 0.00 66.70 66.38 3ibj h VAL 299 Cb 0.62 2.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 3ibj h VAL 299 CO 0.00 0.33 0.62 0.58 0.02 0.00 0.00 177.57 179.12 3ibj h VAL 300 N -0.57 0.80 0.39 2.57 2.07 -1.72 0.28 116.25 120.06 3ibj h VAL 300 Ca -0.00 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3ibj h VAL 300 Cb 0.56 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3ibj h VAL 300 CO 0.00 0.15 -0.19 -0.33 0.02 0.00 0.00 177.57 177.23 3ibj h GLU 301 N 0.82 -0.50 -0.51 1.57 4.39 -1.58 -3.35 114.58 115.43 3ibj h GLU 301 Ca 0.53 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.26 3ibj h GLU 301 Cb 0.75 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3ibj h GLU 301 CO -0.31 -0.33 0.00 -0.40 -1.16 0.00 0.00 179.01 176.81 3ibj n ASP 302 N -4.72 2.71 -4.11 1.42 5.68 -0.86 -4.93 116.55 111.74 3ibj n ASP 302 Ca -0.06 -2.04 -0.35 0.00 -0.50 0.00 0.00 54.79 51.84 3ibj n ASP 302 Cb 0.20 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 39.80 3ibj n ASP 302 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3ibj n LYS 303 N 0.90 -2.60 -4.34 0.11 5.02 0.98 -4.93 118.16 113.30 3ibj n LYS 303 Ca 0.16 0.31 -0.34 0.00 -2.02 0.00 0.00 58.31 56.42 3ibj n LYS 303 Cb 0.44 -5.00 -0.10 0.00 -0.02 0.00 0.00 35.03 30.35 3ibj n LYS 303 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ibj s LYS 304 N -6.80 3.36 0.32 1.97 2.47 -1.22 -4.86 119.74 114.98 3ibj s LYS 304 Ca 0.69 -0.44 -0.25 0.00 -1.56 0.00 0.00 55.97 54.41 3ibj s LYS 304 Cb -0.39 -2.89 -0.10 0.00 -1.46 0.00 0.00 37.83 33.00 3ibj s LYS 304 CO 0.85 0.48 0.92 -1.54 0.16 0.00 0.00 175.35 176.22 3ibj s SER 305 N -0.27 7.28 0.46 1.43 1.04 -1.26 -4.58 113.70 117.80 3ibj s SER 305 Ca 0.06 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.29 3ibj s SER 305 Cb -0.12 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 3ibj s SER 305 CO 0.02 -0.07 0.09 0.27 0.98 0.00 0.00 173.24 174.52 3ibj s ILE 306 N -1.64 0.73 0.07 -1.02 -5.25 -0.72 -4.98 121.20 108.38 3ibj s ILE 306 Ca 0.50 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 58.16 3ibj s ILE 306 Cb -0.18 -2.19 -0.04 0.00 2.95 0.00 0.00 42.46 43.00 3ibj s ILE 306 CO 0.23 0.00 -0.04 -1.10 -1.79 0.00 0.00 174.94 172.24 3ibj s GLN 307 N -3.75 0.71 0.36 0.37 -0.21 -1.26 -2.15 119.66 113.72 3ibj s GLN 307 Ca 0.14 -1.28 0.18 0.00 0.02 0.00 0.00 55.36 54.42 3ibj s GLN 307 Cb 0.01 0.07 1.24 0.00 1.00 0.00 0.00 33.01 35.33 3ibj s GLN 307 CO 0.09 -0.09 1.56 -0.11 -2.12 0.00 0.00 175.29 174.62 3ibj n LEU 308 N 0.04 0.27 0.00 2.90 7.94 -1.23 0.21 117.00 127.12 3ibj n LEU 308 Ca -0.13 1.65 0.07 0.00 -1.11 0.00 0.00 56.01 56.49 3ibj n LEU 308 Cb 0.61 -0.77 0.38 0.00 0.53 0.00 0.00 43.42 44.18 3ibj n LEU 308 CO 0.29 -1.82 0.64 2.29 -1.11 0.00 0.00 177.39 177.69 3ibj n LYS 309 N -5.27 0.34 0.00 1.96 0.00 -1.26 -0.81 118.16 113.12 3ibj n LYS 309 Ca 0.35 0.06 0.07 0.00 -0.00 0.00 0.00 58.31 58.80 3ibj n LYS 309 Cb 1.19 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 34.73 3ibj n LYS 309 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3ibj n ASP 310 N -1.11 1.68 -4.91 -5.58 8.00 0.56 -5.00 116.55 110.18 3ibj n ASP 310 Ca 0.09 -1.34 -0.30 0.00 0.71 0.00 0.00 54.79 53.95 3ibj n ASP 310 Cb 0.07 0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 3ibj n ASP 310 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ibj s LEU 311 N -1.81 4.22 0.25 0.64 1.02 0.01 -4.96 118.68 118.05 3ibj s LEU 311 Ca 0.13 0.55 -0.15 0.00 0.02 0.00 0.00 54.13 54.68 3ibj s LEU 311 Cb 0.12 -3.30 -0.08 0.00 0.02 0.00 0.00 46.19 42.95 3ibj s LEU 311 CO 0.34 -0.02 0.66 0.42 0.02 0.00 0.00 176.35 177.77 3ibj s THR 312 N -1.79 4.73 0.47 5.49 -4.23 -1.26 -4.85 115.64 114.19 3ibj s THR 312 Ca 0.41 0.92 0.24 0.00 -1.18 0.00 0.00 61.69 62.08 3ibj s THR 312 Cb -0.12 -3.70 0.43 0.00 1.34 0.00 0.00 72.50 70.46 3ibj s THR 312 CO 0.27 0.02 1.85 0.77 -0.54 0.00 0.00 174.62 176.99 3ibj h SER 313 N 2.86 0.24 0.63 3.99 4.64 -1.98 0.26 113.55 124.19 3ibj h SER 313 Ca -0.48 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 3ibj h SER 313 Cb 1.18 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3ibj h SER 313 CO 0.66 0.08 -0.43 -0.08 -0.87 0.00 0.00 176.83 176.19 3ibj h GLU 314 N 0.23 -0.97 0.00 4.77 4.81 -1.99 0.28 114.58 121.70 3ibj h GLU 314 Ca 0.48 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 3ibj h GLU 314 Cb 1.49 0.22 0.00 0.00 0.63 0.00 0.00 28.75 31.09 3ibj h GLU 314 CO -0.12 -0.65 0.00 -0.25 -0.73 0.00 0.00 179.01 177.26 3ibj n ASP 315 N -5.55 0.00 -0.19 1.04 9.92 0.66 -2.63 116.55 119.81 3ibj n ASP 315 Ca -0.13 0.84 0.01 0.00 -0.53 0.00 0.00 54.79 54.98 3ibj n ASP 315 Cb 0.44 -0.34 0.04 0.00 -0.64 0.00 0.00 41.12 40.62 3ibj n ASP 315 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3ibj n VAL 316 N -1.84 -0.24 0.15 2.53 0.31 0.27 0.20 118.33 119.71 3ibj n VAL 316 Ca 0.00 1.15 0.07 0.00 -0.01 0.00 0.00 64.34 65.55 3ibj n VAL 316 Cb 0.00 -1.54 0.56 0.00 -0.91 0.00 0.00 33.84 31.95 3ibj n VAL 316 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3ibj h GLN 317 N 0.00 0.20 0.04 5.55 -0.00 -0.28 -1.64 115.11 118.97 3ibj h GLN 317 Ca 0.20 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 3ibj h GLN 317 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.76 3ibj h GLN 317 CO -0.50 0.13 -0.02 0.37 0.00 0.00 0.00 178.83 178.82 3ibj h GLN 318 N 0.21 -0.05 -0.32 1.69 -0.00 0.24 -0.77 115.11 116.11 3ibj h GLN 318 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 3ibj h GLN 318 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 3ibj h GLN 318 CO -0.01 0.24 0.13 -0.07 0.00 0.00 0.00 178.83 179.12 3ibj h LEU 319 N -0.34 0.44 -0.01 -2.39 3.38 -1.33 0.95 115.31 116.02 3ibj h LEU 319 Ca -0.00 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3ibj h LEU 319 Cb 0.31 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3ibj h LEU 319 CO 0.01 0.49 -0.22 1.56 0.09 0.00 0.00 178.44 180.36 3ibj h GLN 320 N 0.37 -0.34 0.00 1.13 4.20 -1.33 0.16 115.11 119.30 3ibj h GLN 320 Ca 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3ibj h GLN 320 Cb 0.18 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3ibj h GLN 320 CO -0.01 -0.22 -0.06 0.66 -0.67 0.00 0.00 178.83 178.53 3ibj h SER 321 N -0.35 0.00 0.83 1.46 4.64 -0.79 2.33 113.55 121.67 3ibj h SER 321 Ca 0.06 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 3ibj h SER 321 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3ibj h SER 321 CO -0.21 0.06 -1.18 -0.03 -0.87 0.00 0.00 176.83 174.61 3ibj h MET 322 N 0.00 0.06 0.00 4.77 1.85 0.27 -3.36 114.93 118.52 3ibj h MET 322 Ca -0.00 -0.10 -0.19 0.00 -0.61 0.00 0.00 59.70 58.80 3ibj h MET 322 Cb 0.14 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.17 3ibj h MET 322 CO 0.01 0.97 -1.97 -0.11 -0.40 0.00 0.00 176.91 175.41 3ibj n LEU 323 N -3.34 0.00 -1.87 3.39 0.00 0.37 -5.06 117.00 110.48 3ibj n LEU 323 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.93 3ibj n LEU 323 Cb 0.98 0.26 0.02 0.00 0.00 0.00 0.00 43.42 44.67 3ibj n LEU 323 CO 0.48 0.26 0.01 0.61 0.00 0.00 0.00 177.39 178.74 3ibj n GLY 324 N 1.88 0.41 1.18 -3.96 0.00 0.78 -5.07 105.19 100.41 3ibj n GLY 324 Ca -0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 3ibj n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibj s GLU 326 N -2.02 3.57 -0.25 0.00 0.41 -1.26 -4.67 118.70 114.48 3ibj s GLU 326 Ca 0.06 1.04 -0.01 0.00 -0.41 0.00 0.00 54.97 55.65 3ibj s GLU 326 Cb -0.01 -2.07 0.07 0.00 -1.78 0.00 0.00 34.13 30.34 3ibj s GLU 326 CO 0.02 -0.60 0.03 -0.51 -0.49 0.00 0.00 175.26 173.71 3ibj s LEU 327 N -4.49 2.11 -0.18 1.80 1.02 -1.26 -4.84 118.68 112.84 3ibj s LEU 327 Ca 0.60 -1.24 0.03 0.00 0.02 0.00 0.00 54.13 53.55 3ibj s LEU 327 Cb -0.13 -0.91 -0.13 0.00 0.02 0.00 0.00 46.19 45.04 3ibj s LEU 327 CO 0.38 -0.32 -0.13 0.00 0.02 0.00 0.00 176.35 176.30 3ibj n GLN 328 N 4.83 0.62 -4.51 1.70 0.00 -1.26 -5.06 117.38 113.71 3ibj n GLN 328 Ca -0.07 0.09 -0.24 0.00 0.00 0.00 0.00 57.00 56.77 3ibj n GLN 328 Cb 0.44 -1.36 -0.09 0.00 0.00 0.00 0.00 30.24 29.23 3ibj n GLN 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ibj s ALA 329 N -2.36 2.77 0.00 2.61 0.00 -1.26 -4.92 121.76 118.60 3ibj s ALA 329 Ca -0.22 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3ibj s ALA 329 Cb 0.06 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3ibj s ALA 329 CO 0.44 -0.30 0.00 -0.12 0.00 0.00 0.00 175.76 175.78 3ibj n MET 330 N -0.84 0.00 -4.05 0.00 1.56 -1.25 -3.02 117.12 109.53 3ibj n MET 330 Ca -0.05 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.06 3ibj n MET 330 Cb 0.66 0.00 -0.15 0.00 2.15 0.00 0.00 33.22 35.87 3ibj n MET 330 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 3ibj s LEU 331 N 0.00 3.01 -0.37 -0.89 0.20 0.33 -3.58 118.68 117.39 3ibj s LEU 331 Ca 0.00 -1.21 -0.12 0.00 0.69 0.00 0.00 54.13 53.49 3ibj s LEU 331 Cb 0.00 -1.44 0.02 0.00 -0.43 0.00 0.00 46.19 44.33 3ibj s LEU 331 CO 0.00 -0.17 0.22 0.00 -0.29 0.00 0.00 176.35 176.11 3ibj s VAL 333 N 1.60 2.75 0.01 0.00 1.01 0.17 -1.75 120.40 124.19 3ibj s VAL 333 Ca 0.03 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3ibj s VAL 333 Cb -0.19 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 3ibj s VAL 333 CO 0.08 0.26 1.54 -2.84 0.00 0.00 0.00 175.10 174.14 3ibj s PRO 334 N 1.32 4.23 -0.62 2.72 0.02 -1.26 0.35 135.00 141.75 3ibj s PRO 334 Ca 0.01 2.14 -0.27 0.00 0.02 0.00 0.00 61.00 62.89 3ibj s PRO 334 Cb -0.16 -3.69 0.03 0.00 0.02 0.00 0.00 34.50 30.70 3ibj s PRO 334 CO -0.06 -0.70 1.18 0.08 -0.33 0.00 0.00 177.00 177.17 3ibj s VAL 335 N 2.91 3.98 -0.16 3.83 1.01 0.18 -4.91 120.40 127.25 3ibj s VAL 335 Ca 0.69 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 3ibj s VAL 335 Cb -0.34 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.23 3ibj s VAL 335 CO 0.29 -1.47 0.40 -0.63 0.00 0.00 0.00 175.10 173.69 3ibj s ILE 336 N 5.03 5.22 0.21 2.22 1.01 -1.26 0.11 121.20 133.74 3ibj s ILE 336 Ca 0.39 0.76 -0.31 0.00 0.00 0.00 0.00 60.65 61.48 3ibj s ILE 336 Cb -0.08 -3.74 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 3ibj s ILE 336 CO 0.21 0.31 1.64 -0.55 0.00 0.00 0.00 174.94 176.56 3ibj s SER 337 N 0.74 6.46 0.00 3.58 0.15 -0.54 -4.79 113.70 119.29 3ibj s SER 337 Ca 0.21 2.79 0.23 0.00 0.70 0.00 0.00 55.95 59.88 3ibj s SER 337 Cb -0.14 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.60 3ibj s SER 337 CO 0.08 -0.90 1.74 0.54 1.20 0.00 0.00 173.24 175.89 3ibj n ARG 338 N 3.64 0.11 -0.00 5.44 5.12 -1.26 -1.08 116.66 128.63 3ibj n ARG 338 Ca 0.14 0.10 -0.00 0.00 -1.93 0.00 0.00 57.85 56.15 3ibj n ARG 338 Cb 0.37 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.17 3ibj n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ibj n ALA 339 N -1.43 1.30 -0.03 7.54 0.00 -1.26 -4.69 120.51 121.94 3ibj n ALA 339 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 3ibj n ALA 339 Cb 0.24 0.01 0.24 0.00 0.00 0.00 0.00 19.45 19.93 3ibj n ALA 339 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ibj h THR 340 N -0.02 1.22 -4.35 0.00 1.35 -1.98 -3.47 112.91 105.67 3ibj h THR 340 Ca 0.00 -0.94 -0.15 0.00 -0.55 0.00 0.00 66.41 64.77 3ibj h THR 340 Cb 0.02 1.00 0.11 0.00 -1.73 0.00 0.00 68.15 67.56 3ibj h THR 340 CO 0.00 0.32 -0.48 -0.67 -0.25 0.00 0.00 175.52 174.44 3ibj n ASP 341 N -4.23 -4.37 -3.71 5.36 -0.08 -0.24 -4.98 116.55 104.31 3ibj n ASP 341 Ca 0.01 -0.39 -0.13 0.00 -1.51 0.00 0.00 54.79 52.77 3ibj n ASP 341 Cb 0.29 -3.15 -0.09 0.00 2.34 0.00 0.00 41.12 40.51 3ibj n ASP 341 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3ibj s GLN 342 N -3.88 0.57 -0.26 -0.67 -0.21 -1.25 -4.80 119.66 109.17 3ibj s GLN 342 Ca 0.23 0.63 -0.36 0.00 0.02 0.00 0.00 55.36 55.89 3ibj s GLN 342 Cb -0.03 0.28 -0.12 0.00 1.00 0.00 0.00 33.01 34.13 3ibj s GLN 342 CO 0.42 -0.07 2.00 0.28 -2.12 0.00 0.00 175.29 175.79 3ibj n VAL 343 N 2.75 0.34 -0.05 1.09 0.31 -1.26 -1.47 118.33 120.04 3ibj n VAL 343 Ca -0.14 -0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 3ibj n VAL 343 Cb 0.57 -1.64 -0.12 0.00 -0.91 0.00 0.00 33.84 31.74 3ibj n VAL 343 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3ibj n VAL 344 N 6.00 0.65 -3.71 2.52 0.31 0.30 -4.84 118.33 119.56 3ibj n VAL 344 Ca 0.32 -0.54 -0.10 0.00 -0.01 0.00 0.00 64.34 64.01 3ibj n VAL 344 Cb 0.23 -0.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.79 3ibj n VAL 344 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibj s ALA 345 N -2.64 -0.98 -0.24 3.52 0.00 -1.19 -1.19 121.76 119.04 3ibj s ALA 345 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3ibj s ALA 345 Cb 0.07 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.08 3ibj s ALA 345 CO 0.64 -0.79 -0.12 -0.51 0.00 0.00 0.00 175.76 174.97 3ibj s LEU 346 N -2.86 3.17 -0.43 0.00 1.43 0.14 0.51 118.68 120.64 3ibj s LEU 346 Ca 0.08 -1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 51.71 3ibj s LEU 346 Cb -0.01 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.69 3ibj s LEU 346 CO -0.04 -0.15 1.02 0.00 0.23 0.00 0.00 176.35 177.41 3ibj s ALA 347 N 1.16 3.27 -0.20 4.21 0.00 0.15 -1.22 121.76 129.14 3ibj s ALA 347 Ca -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 3ibj s ALA 347 Cb -0.18 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 3ibj s ALA 347 CO -0.06 -1.97 -0.00 0.00 0.00 0.00 0.00 175.76 173.73 3ibj s ALA 349 N 0.95 2.74 0.39 0.00 0.00 0.18 -1.69 121.76 124.33 3ibj s ALA 349 Ca 0.01 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.18 3ibj s ALA 349 Cb -0.14 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 3ibj s ALA 349 CO 0.02 0.27 0.03 -0.06 0.00 0.00 0.00 175.76 176.02 3ibj s PHE 350 N 0.24 2.53 0.00 0.00 0.08 -0.74 0.12 117.98 120.21 3ibj s PHE 350 Ca -0.07 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.38 3ibj s PHE 350 Cb -0.15 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3ibj s PHE 350 CO 0.05 0.41 0.00 0.09 -0.10 0.00 0.00 175.22 175.67 3ibj n ASN 351 N -1.00 0.00 -4.68 1.36 3.02 -1.17 -3.01 115.26 109.78 3ibj n ASN 351 Ca -0.04 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 53.99 3ibj n ASN 351 Cb 0.65 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 3ibj n ASN 351 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ibj n LYS 352 N 0.34 1.70 -1.53 3.52 4.81 -1.26 -0.55 118.16 125.18 3ibj n LYS 352 Ca 0.00 0.62 -0.33 0.00 -0.87 0.00 0.00 58.31 57.73 3ibj n LYS 352 Cb 0.00 -2.38 -0.09 0.00 0.02 0.00 0.00 35.03 32.58 3ibj n LYS 352 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3ibj n LEU 353 N 5.44 1.30 -1.22 3.14 0.00 0.80 -4.30 117.00 122.16 3ibj n LEU 353 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 56.01 55.80 3ibj n LEU 353 Cb 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.34 3ibj n LEU 353 CO 0.74 -1.45 -0.15 -0.62 0.00 0.00 0.00 177.39 175.90 3ibj n GLU 354 N 8.52 -1.50 -2.52 1.96 -0.58 -1.26 -4.82 120.64 120.44 3ibj n GLU 354 Ca 0.50 1.13 -0.09 0.00 -0.42 0.00 0.00 57.16 58.28 3ibj n GLU 354 Cb 0.34 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.60 3ibj n GLU 354 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ibj n GLY 355 N -1.27 -0.22 3.47 0.62 0.00 -1.26 -4.72 105.19 101.81 3ibj n GLY 355 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3ibj n GLY 355 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ibj n ASP 356 N -2.44 -0.77 -3.21 1.61 2.03 -1.26 -4.80 116.55 107.71 3ibj n ASP 356 Ca -0.05 -0.88 -0.00 0.00 0.52 0.00 0.00 54.79 54.38 3ibj n ASP 356 Cb 0.57 -0.80 -0.02 0.00 -0.72 0.00 0.00 41.12 40.15 3ibj n ASP 356 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ibj s LEU 357 N 3.57 -1.38 -0.45 -2.67 1.43 -1.26 -5.02 118.68 112.89 3ibj s LEU 357 Ca 1.11 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 53.55 3ibj s LEU 357 Cb -0.60 1.79 0.03 0.00 0.03 0.00 0.00 46.19 47.44 3ibj s LEU 357 CO 0.41 -0.25 0.87 -0.36 0.23 0.00 0.00 176.35 177.25 3ibj s PHE 358 N 2.29 2.96 0.97 0.29 2.99 -1.26 -5.03 117.98 121.18 3ibj s PHE 358 Ca 0.13 0.33 -0.15 0.00 0.00 0.00 0.00 56.93 57.24 3ibj s PHE 358 Cb -0.08 -3.84 0.18 0.00 0.00 0.00 0.00 43.02 39.28 3ibj s PHE 358 CO -0.17 -1.04 1.21 -0.08 -0.00 0.00 0.00 175.22 175.14 3ibj s THR 359 N 3.57 1.92 -1.15 0.64 -1.32 -1.26 -4.92 115.64 113.12 3ibj s THR 359 Ca 0.34 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.09 3ibj s THR 359 Cb -0.11 -2.83 0.31 0.00 -1.51 0.00 0.00 72.50 68.36 3ibj s THR 359 CO 0.25 0.00 1.88 -0.67 -2.21 0.00 0.00 174.62 173.87 3ibj n ASP 360 N -3.89 0.00 -0.00 8.08 4.64 -1.26 -2.57 116.55 121.55 3ibj n ASP 360 Ca 0.11 0.29 0.06 0.00 -1.38 0.00 0.00 54.79 53.88 3ibj n ASP 360 Cb 0.60 -0.43 -0.08 0.00 -1.04 0.00 0.00 41.12 40.17 3ibj n ASP 360 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 3ibj n GLU 361 N -1.43 2.07 0.10 -0.67 -0.00 -1.26 -3.91 120.64 115.54 3ibj n GLU 361 Ca 0.09 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.16 57.17 3ibj n GLU 361 Cb 0.28 -1.15 0.13 0.00 -0.00 0.00 0.00 31.44 30.70 3ibj n GLU 361 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3ibj h ASP 362 N 0.00 0.19 1.45 -1.84 5.19 -1.85 -2.31 116.42 117.25 3ibj h ASP 362 Ca 0.00 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 3ibj h ASP 362 Cb 0.39 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 3ibj h ASP 362 CO 0.00 0.76 -0.18 -0.08 -3.12 0.00 0.00 179.24 176.62 3ibj h GLU 363 N 0.12 0.00 -0.01 3.56 4.81 -1.71 -3.19 114.58 118.17 3ibj h GLU 363 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3ibj h GLU 363 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3ibj h GLU 363 CO 0.09 0.18 -0.14 1.25 -0.73 0.00 0.00 179.01 179.66 3ibj h HIS 364 N 0.00 0.15 -0.81 0.92 2.76 -1.57 -2.56 115.15 114.05 3ibj h HIS 364 Ca -0.00 -0.08 0.13 0.00 -2.20 0.00 0.00 60.37 58.22 3ibj h HIS 364 Cb 0.96 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.84 3ibj h HIS 364 CO 0.00 0.86 0.53 -0.24 -1.30 0.00 0.00 177.93 177.78 3ibj h VAL 365 N -0.59 0.86 0.76 5.26 3.04 -1.46 -1.23 116.25 122.88 3ibj h VAL 365 Ca -0.02 -0.21 -0.04 0.00 -1.01 0.00 0.00 66.70 65.43 3ibj h VAL 365 Cb 0.89 0.20 0.01 0.00 -2.01 0.00 0.00 31.29 30.38 3ibj h VAL 365 CO 0.03 0.11 -0.36 0.40 -1.01 0.00 0.00 177.57 176.73 3ibj h ILE 366 N 0.60 0.00 0.00 3.17 2.04 -1.58 -2.38 117.51 119.36 3ibj h ILE 366 Ca 0.39 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.19 3ibj h ILE 366 Cb 0.67 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3ibj h ILE 366 CO -0.15 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.00 3ibj n GLN 367 N -4.91 0.00 -0.08 2.37 3.00 -0.79 -1.80 117.38 115.17 3ibj n GLN 367 Ca -0.13 0.50 0.01 0.00 -0.01 0.00 0.00 57.00 57.37 3ibj n GLN 367 Cb 0.40 -1.01 0.03 0.00 0.00 0.00 0.00 30.24 29.66 3ibj n GLN 367 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 3ibj n HIS 368 N -1.04 0.07 0.27 1.08 -0.00 -0.53 0.20 115.22 115.26 3ibj n HIS 368 Ca 0.00 0.27 -0.18 0.00 0.46 0.00 0.00 57.72 58.27 3ibj n HIS 368 Cb 0.00 -0.62 -0.10 0.00 -0.12 0.00 0.00 29.99 29.15 3ibj n HIS 368 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3ibj h PHE 370 N -0.98 -0.60 -0.63 0.00 0.04 0.07 -1.26 116.94 113.58 3ibj h PHE 370 Ca -0.05 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.90 3ibj h PHE 370 Cb 0.87 0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 3ibj h PHE 370 CO -0.29 -0.33 0.52 1.58 -0.60 0.00 0.00 178.31 179.18 3ibj n HIS 371 N -5.35 0.00 -0.06 -0.55 -0.00 -0.91 0.94 115.22 109.30 3ibj n HIS 371 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.52 3ibj n HIS 371 Cb 0.26 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.99 30.05 3ibj n HIS 371 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3ibj n TYR 372 N -2.49 0.00 0.14 1.57 4.01 -0.98 -4.75 117.16 114.66 3ibj n TYR 372 Ca 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.88 3ibj n TYR 372 Cb 0.71 -0.40 0.22 0.00 -0.31 0.00 0.00 39.34 39.55 3ibj n TYR 372 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ibj h THR 373 N -0.36 1.39 -0.56 -0.72 1.03 0.14 -3.35 112.91 110.46 3ibj h THR 373 Ca -0.28 -1.87 -0.02 0.00 -0.01 0.00 0.00 66.41 64.24 3ibj h THR 373 Cb 1.26 1.99 -0.03 0.00 -1.07 0.00 0.00 68.15 70.30 3ibj h THR 373 CO -0.16 0.54 0.29 0.77 -0.01 0.00 0.00 175.52 176.94 3ibj h SER 374 N 0.03 0.72 0.05 0.00 4.64 0.37 -2.80 113.55 116.56 3ibj h SER 374 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3ibj h SER 374 Cb 0.97 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3ibj h SER 374 CO 0.07 0.63 -0.20 0.74 -0.87 0.00 0.00 176.83 177.21 3ibj h THR 375 N 0.76 0.00 -0.99 2.95 2.02 -1.78 -0.02 112.91 115.85 3ibj h THR 375 Ca 0.20 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.55 3ibj h THR 375 Cb 0.09 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.40 3ibj h THR 375 CO -0.03 0.00 0.62 1.62 0.37 0.00 0.00 175.52 178.10 3ibj h VAL 376 N -0.29 0.75 0.48 3.16 3.04 -1.80 0.36 116.25 121.95 3ibj h VAL 376 Ca -0.00 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 3ibj h VAL 376 Cb 0.29 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.46 3ibj h VAL 376 CO -0.11 0.14 -0.45 -0.07 -1.01 0.00 0.00 177.57 176.08 3ibj h LEU 377 N 0.77 -1.21 -1.62 3.16 3.38 -1.17 -2.45 115.31 116.16 3ibj h LEU 377 Ca 0.55 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.64 3ibj h LEU 377 Cb 0.84 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3ibj h LEU 377 CO -0.33 -0.62 0.30 0.74 0.09 0.00 0.00 178.44 178.63 3ibj h THR 378 N -0.93 1.04 0.02 0.22 2.02 0.57 -2.21 112.91 113.63 3ibj h THR 378 Ca -0.05 -0.17 -0.21 0.00 0.77 0.00 0.00 66.41 66.75 3ibj h THR 378 Cb 0.81 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3ibj h THR 378 CO -0.05 0.09 -0.94 0.77 0.37 0.00 0.00 175.52 175.76 3ibj h SER 379 N 0.49 0.31 0.31 4.18 4.64 -0.93 -1.23 113.55 121.33 3ibj h SER 379 Ca 0.18 -0.27 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3ibj h SER 379 Cb 0.12 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3ibj h SER 379 CO -0.05 1.09 -0.65 0.71 -0.87 0.00 0.00 176.83 177.06 3ibj h THR 380 N 0.12 1.38 0.54 2.95 1.35 -1.02 -1.04 112.91 117.19 3ibj h THR 380 Ca -0.06 -2.05 -0.03 0.00 -0.55 0.00 0.00 66.41 63.72 3ibj h THR 380 Cb 1.59 2.04 0.01 0.00 -1.73 0.00 0.00 68.15 70.05 3ibj h THR 380 CO 0.15 0.61 -0.26 0.25 -0.25 0.00 0.00 175.52 176.02 3ibj h LEU 381 N 0.23 -0.61 -0.57 3.87 5.85 -1.41 -2.80 115.31 119.87 3ibj h LEU 381 Ca -0.01 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.76 3ibj h LEU 381 Cb 1.19 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 42.27 3ibj h LEU 381 CO 0.11 -0.25 -0.29 0.00 -0.34 0.00 0.00 178.44 177.67 3ibj h ALA 382 N -0.78 0.06 -0.84 1.25 0.00 -1.13 -0.46 119.26 117.36 3ibj h ALA 382 Ca -0.07 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.17 3ibj h ALA 382 Cb 0.63 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 3ibj h ALA 382 CO 0.12 -0.62 0.41 0.35 0.00 0.00 0.00 179.25 179.51 3ibj h PHE 383 N -0.14 0.70 0.00 0.00 3.57 -1.19 -0.71 116.94 119.18 3ibj h PHE 383 Ca 0.24 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 3ibj h PHE 383 Cb 0.53 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3ibj h PHE 383 CO -0.59 0.12 -0.34 1.96 -2.23 0.00 0.00 178.31 177.23 3ibj h GLN 384 N 0.55 0.00 -0.03 1.11 4.20 -0.81 -1.73 115.11 118.41 3ibj h GLN 384 Ca 0.47 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.99 3ibj h GLN 384 Cb 0.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3ibj h GLN 384 CO -0.40 0.34 -0.81 0.87 -0.67 0.00 0.00 178.83 178.17 3ibj h LYS 385 N 0.00 0.29 -0.02 1.46 1.57 -0.75 -2.34 116.57 116.79 3ibj h LYS 385 Ca -0.00 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 3ibj h LYS 385 Cb 0.61 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3ibj h LYS 385 CO 0.04 0.96 -0.72 0.93 -0.57 0.00 0.00 179.45 180.09 3ibj h GLU 386 N 0.18 0.10 -0.15 3.15 4.39 -1.05 0.15 114.58 121.35 3ibj h GLU 386 Ca -0.04 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.40 3ibj h GLU 386 Cb 1.41 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3ibj h GLU 386 CO 0.13 0.78 -0.60 0.37 -1.16 0.00 0.00 179.01 178.52 3ibj h GLN 387 N 0.07 0.52 -0.24 2.33 4.15 -1.32 0.89 115.11 121.51 3ibj h GLN 387 Ca -0.02 -0.36 -0.08 0.00 0.77 0.00 0.00 58.65 58.97 3ibj h GLN 387 Cb 1.27 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 3ibj h GLN 387 CO 0.10 0.97 -0.15 -0.22 -1.93 0.00 0.00 178.83 177.60 3ibj h LYS 388 N 0.39 0.54 -0.53 1.69 3.64 -1.18 -2.77 116.57 118.34 3ibj h LYS 388 Ca -0.00 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 3ibj h LYS 388 Cb 1.16 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3ibj h LYS 388 CO 0.11 0.82 0.09 -0.07 -2.27 0.00 0.00 179.45 178.13 3ibj h LEU 389 N 0.25 0.84 -0.64 5.20 3.38 -0.86 -2.81 115.31 120.67 3ibj h LEU 389 Ca 0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ibj h LEU 389 Cb 0.68 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3ibj h LEU 389 CO 0.04 0.88 0.39 0.50 0.09 0.00 0.00 178.44 180.35 3ibj h LYS 390 N 0.77 0.86 -0.00 1.13 3.64 -0.84 -2.16 116.57 119.97 3ibj h LYS 390 Ca 0.16 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ibj h LYS 390 Cb 0.40 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3ibj h LYS 390 CO 0.01 0.60 -0.01 0.00 -2.27 0.00 0.00 179.45 177.78 3ibj n GLU 392 N -1.21 0.10 -0.10 0.00 1.02 -1.01 -2.14 120.64 117.30 3ibj n GLU 392 Ca 0.16 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 57.14 3ibj n GLU 392 Cb 0.23 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 3ibj n GLU 392 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ibj h GLN 394 N -1.00 0.30 0.39 0.00 4.20 -1.44 0.26 115.11 117.82 3ibj h GLN 394 Ca -0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3ibj h GLN 394 Cb 1.08 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3ibj h GLN 394 CO -0.16 0.20 -0.28 0.00 -0.67 0.00 0.00 178.83 177.92 3ibj h ALA 395 N 1.59 -1.07 -0.99 3.87 0.00 -1.59 -1.25 119.26 119.82 3ibj h ALA 395 Ca 0.50 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.53 3ibj h ALA 395 Cb 1.42 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 19.51 3ibj h ALA 395 CO -0.17 -1.06 0.57 -0.07 0.00 0.00 0.00 179.25 178.52 3ibj h LEU 396 N -0.64 0.62 -0.60 0.00 3.38 -0.64 -1.10 115.31 116.34 3ibj h LEU 396 Ca -0.05 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ibj h LEU 396 Cb 0.52 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3ibj h LEU 396 CO 0.03 0.08 0.37 -0.07 0.09 0.00 0.00 178.44 178.94 3ibj h LEU 397 N 0.55 0.61 -0.48 1.67 -0.00 -0.45 0.62 115.31 117.83 3ibj h LEU 397 Ca 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.50 3ibj h LEU 397 Cb 1.22 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 3ibj h LEU 397 CO -0.49 0.43 0.22 1.56 -0.00 0.00 0.00 178.44 180.16 3ibj h GLN 398 N 0.73 0.70 0.19 1.13 1.08 -0.04 0.18 115.11 119.08 3ibj h GLN 398 Ca 0.24 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3ibj h GLN 398 Cb 0.01 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3ibj h GLN 398 CO -0.09 0.60 -0.09 0.28 -0.95 0.00 0.00 178.83 178.58 3ibj h VAL 399 N 0.63 0.89 -0.52 -0.54 2.07 -1.22 0.61 116.25 118.17 3ibj h VAL 399 Ca 0.16 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.40 3ibj h VAL 399 Cb 0.14 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 3ibj h VAL 399 CO -0.02 0.09 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 3ibj h ALA 400 N 0.33 0.36 -0.42 1.67 0.00 -0.74 0.59 119.26 121.06 3ibj h ALA 400 Ca -0.03 0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3ibj h ALA 400 Cb 0.34 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ibj h ALA 400 CO 0.04 -0.43 -0.30 -0.22 0.00 0.00 0.00 179.25 178.33 3ibj h LYS 401 N 0.01 0.95 -0.82 0.00 3.64 -0.44 -1.67 116.57 118.24 3ibj h LYS 401 Ca 0.25 -0.46 0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3ibj h LYS 401 Cb 0.39 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3ibj h LYS 401 CO -0.53 1.12 0.54 -0.91 -2.27 0.00 0.00 179.45 177.40 3ibj h ASN 402 N 0.78 0.94 -0.06 4.20 2.35 0.33 -2.89 115.58 121.24 3ibj h ASN 402 Ca 0.08 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3ibj h ASN 402 Cb 0.89 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3ibj h ASN 402 CO 0.08 0.68 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.32 3ibj h LEU 403 N 1.11 0.23 0.00 1.61 3.38 0.05 -3.28 115.31 118.40 3ibj h LEU 403 Ca 0.30 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3ibj h LEU 403 Cb -0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3ibj h LEU 403 CO -0.07 0.79 0.00 0.49 0.09 0.00 0.00 178.44 179.74 3ibj n PHE 404 N -4.61 0.00 -2.23 1.13 3.72 -0.63 -2.40 117.46 112.44 3ibj n PHE 404 Ca -0.08 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 3ibj n PHE 404 Cb 0.39 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.96 3ibj n PHE 404 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ibj n THR 405 N -0.58 2.22 -2.27 4.37 -2.24 -1.15 -4.65 114.28 109.98 3ibj n THR 405 Ca 0.02 -3.94 -0.05 0.00 -2.27 0.00 0.00 64.05 57.81 3ibj n THR 405 Cb 0.01 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.68 3ibj n THR 405 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ibj n HIS 406 N -0.67 -0.68 1.13 4.78 8.25 -1.01 -4.98 115.22 122.05 3ibj n HIS 406 Ca 0.35 -0.96 0.01 0.00 -0.26 0.00 0.00 57.72 56.86 3ibj n HIS 406 Cb 0.92 0.82 0.04 0.00 1.12 0.00 0.00 29.99 32.89 3ibj n HIS 406 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ibj n LEU 407 N -0.53 1.13 0.00 2.41 4.77 -1.26 -4.08 117.00 119.44 3ibj n LEU 407 Ca -0.22 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3ibj n LEU 407 Cb 0.78 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3ibj n LEU 407 CO -0.14 0.23 0.00 0.47 -1.33 0.00 0.00 177.39 176.62 3ibj n ASP 408 N -0.05 0.00 -4.59 -1.43 8.00 -1.26 -4.24 116.55 112.99 3ibj n ASP 408 Ca 0.03 0.02 -0.40 0.00 0.71 0.00 0.00 54.79 55.15 3ibj n ASP 408 Cb 0.25 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 3ibj n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ibj s ASP 409 N -1.18 6.32 0.00 -2.24 -1.08 -1.26 -4.53 116.67 112.71 3ibj s ASP 409 Ca 0.00 0.20 0.01 0.00 -0.52 0.00 0.00 52.55 52.25 3ibj s ASP 409 Cb 0.00 -2.25 0.09 0.00 -1.46 0.00 0.00 42.92 39.30 3ibj s ASP 409 CO 0.00 -0.33 0.42 1.33 0.52 0.00 0.00 175.17 177.11 3ibj n VAL 410 N 5.25 0.00 -0.08 1.11 0.24 -1.26 -2.39 118.33 121.20 3ibj n VAL 410 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 3ibj n VAL 410 Cb 0.50 -0.41 -0.14 0.00 -1.47 0.00 0.00 33.84 32.31 3ibj n VAL 410 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3ibj n SER 411 N -0.57 1.18 0.01 -1.34 7.64 -1.26 -2.77 113.62 116.51 3ibj n SER 411 Ca 0.01 0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.77 3ibj n SER 411 Cb 0.01 0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 3ibj n SER 411 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ibj h VAL 412 N 0.01 1.51 -0.48 0.44 2.07 -1.80 -3.10 116.25 114.89 3ibj h VAL 412 Ca -0.49 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 64.56 3ibj h VAL 412 Cb 2.06 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 34.97 3ibj h VAL 412 CO 0.01 0.67 0.27 0.25 0.02 0.00 0.00 177.57 178.80 3ibj h LEU 413 N -0.56 0.60 -2.76 2.57 5.85 -1.68 -2.19 115.31 117.14 3ibj h LEU 413 Ca -0.13 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3ibj h LEU 413 Cb 1.47 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 3ibj h LEU 413 CO 0.09 0.51 -0.00 0.25 -0.34 0.00 0.00 178.44 178.94 3ibj h LEU 414 N 0.64 0.00 0.01 2.25 5.85 -1.58 -0.33 115.31 122.14 3ibj h LEU 414 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ibj h LEU 414 Cb 0.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3ibj h LEU 414 CO -0.03 0.00 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.35 3ibj h GLN 415 N 0.00 0.01 -0.75 1.25 5.75 -1.36 -3.27 115.11 116.74 3ibj h GLN 415 Ca -0.00 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.64 3ibj h GLN 415 Cb 0.04 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 28.46 3ibj h GLN 415 CO 0.00 1.01 -0.13 0.93 -2.65 0.00 0.00 178.83 177.99 3ibj h GLU 416 N -0.98 0.02 -0.88 1.69 4.39 -0.71 0.40 114.58 118.52 3ibj h GLU 416 Ca -0.03 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.79 3ibj h GLU 416 Cb 1.04 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 3ibj h GLU 416 CO -0.01 0.02 0.57 0.82 -1.16 0.00 0.00 179.01 179.25 3ibj h ILE 417 N 0.02 0.89 0.31 3.13 2.04 -1.20 0.50 117.51 123.21 3ibj h ILE 417 Ca 0.38 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3ibj h ILE 417 Cb 0.61 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3ibj h ILE 417 CO -0.75 0.14 -0.15 0.40 0.00 0.00 0.00 178.15 177.79 3ibj h ILE 418 N 0.76 0.00 -0.44 -0.67 2.04 -0.52 0.29 117.51 118.96 3ibj h ILE 418 Ca 0.43 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.96 3ibj h ILE 418 Cb 0.58 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 3ibj h ILE 418 CO -0.19 0.00 -0.31 0.74 0.00 0.00 0.00 178.15 178.39 3ibj h THR 419 N -0.84 0.24 0.67 -0.27 2.02 -0.05 0.14 112.91 114.82 3ibj h THR 419 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3ibj h THR 419 Cb 0.32 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3ibj h THR 419 CO 0.07 0.00 -0.39 -0.33 0.37 0.00 0.00 175.52 175.24 3ibj h GLU 420 N -0.21 -0.96 -0.14 6.66 4.39 -0.10 -2.67 114.58 121.54 3ibj h GLU 420 Ca 0.19 0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.99 3ibj h GLU 420 Cb 0.53 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3ibj h GLU 420 CO -0.56 -0.64 0.10 0.00 -1.16 0.00 0.00 179.01 176.75 3ibj h ALA 421 N -0.73 2.10 0.00 3.43 0.00 -0.49 0.37 119.26 123.94 3ibj h ALA 421 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ibj h ALA 421 Cb 0.79 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3ibj h ALA 421 CO 0.10 -0.13 -0.50 -0.09 0.00 0.00 0.00 179.25 178.63 3ibj h ARG 422 N 0.03 0.00 0.14 0.00 2.43 -0.57 -2.59 114.38 113.82 3ibj h ARG 422 Ca 0.07 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.92 3ibj h ARG 422 Cb 0.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ibj h ARG 422 CO -0.00 0.50 -1.56 -0.91 -1.51 0.00 0.00 179.97 176.49 3ibj h ASN 423 N 0.00 0.47 -0.18 -3.80 2.35 -1.03 -0.62 115.58 112.77 3ibj h ASN 423 Ca -0.01 -0.64 0.02 0.00 -0.55 0.00 0.00 56.30 55.13 3ibj h ASN 423 Cb 1.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3ibj h ASN 423 CO 0.07 1.53 0.02 -0.07 -1.65 0.00 0.00 177.43 177.33 3ibj h LEU 424 N 0.08 -0.02 0.00 1.61 4.07 -0.81 -3.02 115.31 117.22 3ibj h LEU 424 Ca -0.26 0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.58 3ibj h LEU 424 Cb 2.04 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 43.81 3ibj h LEU 424 CO 0.17 0.01 -1.49 -1.54 -1.08 0.00 0.00 178.44 174.52 3ibj n SER 425 N -5.10 0.72 -1.08 -0.43 3.41 -0.99 -4.99 113.62 105.16 3ibj n SER 425 Ca -0.03 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3ibj n SER 425 Cb 0.09 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3ibj n SER 425 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ibj n ASN 426 N -2.80 -1.82 -4.93 4.04 2.85 -0.72 -4.89 115.26 106.99 3ibj n ASN 426 Ca -0.10 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.12 3ibj n ASN 426 Cb 0.81 -0.46 0.01 0.00 1.24 0.00 0.00 39.78 41.38 3ibj n ASN 426 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ibj s ALA 427 N -2.86 3.54 0.11 5.20 0.00 -0.32 -2.39 121.76 125.04 3ibj s ALA 427 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 3ibj s ALA 427 Cb 0.00 -2.37 -0.17 0.00 0.00 0.00 0.00 23.12 20.58 3ibj s ALA 427 CO 0.00 -0.47 1.24 1.49 0.00 0.00 0.00 175.76 178.02 3ibj h GLU 428 N 0.22 0.29 -2.90 0.00 4.81 0.32 -3.46 114.58 113.86 3ibj h GLU 428 Ca -0.46 -0.39 -0.12 0.00 -0.13 0.00 0.00 59.36 58.26 3ibj h GLU 428 Cb 1.24 0.13 -0.21 0.00 0.63 0.00 0.00 28.75 30.54 3ibj h GLU 428 CO 0.60 1.13 -0.24 0.96 -0.73 0.00 0.00 179.01 180.73 3ibj s ILE 429 N -2.95 0.04 -0.01 2.32 -4.36 -1.07 -4.99 121.20 110.19 3ibj s ILE 429 Ca -0.04 -0.33 0.05 0.00 -0.26 0.00 0.00 60.65 60.07 3ibj s ILE 429 Cb 0.08 -0.63 -0.01 0.00 1.25 0.00 0.00 42.46 43.15 3ibj s ILE 429 CO 0.87 -0.18 -0.17 0.00 0.24 0.00 0.00 174.94 175.70 3ibj s SER 431 N -0.45 1.39 -0.07 0.00 1.04 -0.52 -4.98 113.70 110.10 3ibj s SER 431 Ca 0.06 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3ibj s SER 431 Cb -0.06 -0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 3ibj s SER 431 CO -0.00 0.03 -0.10 0.68 0.98 0.00 0.00 173.24 174.82 3ibj s VAL 432 N 0.53 3.40 -0.02 5.02 -7.23 -1.26 -1.39 120.40 119.44 3ibj s VAL 432 Ca -0.10 -0.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 3ibj s VAL 432 Cb -0.13 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3ibj s VAL 432 CO 0.02 0.58 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.88 3ibj s PHE 433 N -0.58 1.42 -0.14 2.82 0.40 0.56 -4.66 117.98 117.80 3ibj s PHE 433 Ca 0.08 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.06 3ibj s PHE 433 Cb -0.12 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.45 3ibj s PHE 433 CO 0.02 -0.07 -0.02 -0.51 0.70 0.00 0.00 175.22 175.34 3ibj s LEU 434 N -0.19 3.38 -0.40 -0.37 1.43 0.49 -0.97 118.68 122.05 3ibj s LEU 434 Ca 0.02 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 3ibj s LEU 434 Cb -0.08 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3ibj s LEU 434 CO 0.00 0.22 1.69 -0.22 0.23 0.00 0.00 176.35 178.27 3ibj s LEU 435 N 0.07 3.49 -1.04 1.79 1.98 -0.36 -0.50 118.68 124.10 3ibj s LEU 435 Ca 0.01 1.00 -0.05 0.00 -2.89 0.00 0.00 54.13 52.19 3ibj s LEU 435 Cb -0.13 -3.36 0.28 0.00 0.66 0.00 0.00 46.19 43.64 3ibj s LEU 435 CO 0.02 -1.73 1.16 -0.67 -1.89 0.00 0.00 176.35 173.23 3ibj n ASP 436 N 10.23 5.48 0.00 3.68 2.03 0.26 -4.94 116.55 133.29 3ibj n ASP 436 Ca 0.20 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.32 3ibj n ASP 436 Cb 0.48 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 3ibj n ASP 436 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3ibj n GLN 437 N 2.08 0.00 -1.53 -0.67 0.00 -1.26 -3.35 117.38 112.65 3ibj n GLN 437 Ca 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.19 3ibj n GLN 437 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.70 3ibj n GLN 437 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3ibj n ASN 438 N 5.97 2.65 -3.60 1.69 5.15 -1.26 -5.02 115.26 120.83 3ibj n ASN 438 Ca 0.00 -3.29 -0.11 0.00 -0.60 0.00 0.00 54.58 50.58 3ibj n ASN 438 Cb 0.00 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 38.76 3ibj n ASN 438 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3ibj s GLU 439 N -2.93 0.65 0.05 1.20 -1.05 -1.21 -2.41 118.70 113.00 3ibj s GLU 439 Ca 0.40 0.49 -0.24 0.00 -0.15 0.00 0.00 54.97 55.47 3ibj s GLU 439 Cb 0.38 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 34.32 3ibj s GLU 439 CO -0.04 -0.14 0.72 -0.51 0.95 0.00 0.00 175.26 176.24 3ibj s LEU 440 N -0.31 4.47 0.09 1.83 1.43 0.11 -0.57 118.68 125.72 3ibj s LEU 440 Ca -0.01 1.40 0.10 0.00 -1.03 0.00 0.00 54.13 54.59 3ibj s LEU 440 Cb -0.03 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 3ibj s LEU 440 CO -0.01 0.08 -0.26 -0.69 0.23 0.00 0.00 176.35 175.70 3ibj s VAL 441 N -0.30 2.26 -0.27 -1.59 1.01 0.34 -0.94 120.40 120.92 3ibj s VAL 441 Ca 0.36 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 3ibj s VAL 441 Cb -0.20 -1.95 0.15 0.00 0.00 0.00 0.00 36.38 34.38 3ibj s VAL 441 CO 0.22 0.22 0.42 0.00 0.00 0.00 0.00 175.10 175.97 3ibj s ALA 442 N -0.95 -1.33 0.19 5.51 0.00 -0.13 -0.38 121.76 124.68 3ibj s ALA 442 Ca 0.13 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 3ibj s ALA 442 Cb -0.10 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 3ibj s ALA 442 CO 0.04 -1.43 0.88 0.21 0.00 0.00 0.00 175.76 175.47 3ibj s LYS 443 N 2.60 4.74 0.36 0.00 2.20 -1.26 -2.15 119.74 126.22 3ibj s LYS 443 Ca 0.13 1.36 -0.25 0.00 -0.36 0.00 0.00 55.97 56.86 3ibj s LYS 443 Cb -0.14 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.79 3ibj s LYS 443 CO -0.21 0.49 0.97 0.08 -0.36 0.00 0.00 175.35 176.32 3ibj s VAL 444 N -0.99 4.14 0.00 4.02 1.01 -0.91 -4.99 120.40 122.69 3ibj s VAL 444 Ca 0.40 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3ibj s VAL 444 Cb -0.25 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3ibj s VAL 444 CO 0.30 0.02 0.00 0.49 0.00 0.00 0.00 175.10 175.90 3ibj n PHE 445 N 0.18 0.00 0.00 5.22 0.99 -1.26 -4.85 117.46 117.74 3ibj n PHE 445 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 3ibj n PHE 445 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.99 3ibj n PHE 445 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3ibj n ASP 446 N 0.00 0.00 0.00 4.37 8.00 -1.26 -3.85 116.55 123.81 3ibj n ASP 446 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ibj n ASP 446 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ibj n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ibj n GLY 447 N -1.88 0.78 0.14 0.44 0.00 -1.26 -5.06 105.19 98.35 3ibj n GLY 447 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ibj n GLY 447 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ibj h GLY 448 N 0.00 0.43 0.00 -0.02 0.00 -1.91 -3.48 103.07 98.08 3ibj h GLY 448 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3ibj h GLY 448 CO 0.00 0.38 0.00 -0.62 0.00 0.00 0.00 176.54 176.30 3ibj n VAL 449 N -4.54 0.00 -2.74 4.60 0.31 -1.26 -5.05 118.33 109.64 3ibj n VAL 449 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 3ibj n VAL 449 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 3ibj n VAL 449 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3ibj n VAL 450 N 0.00 4.56 -0.06 2.52 0.24 -1.26 -4.55 118.33 119.77 3ibj n VAL 450 Ca 0.00 -4.92 -0.05 0.00 -2.04 0.00 0.00 64.34 57.33 3ibj n VAL 450 Cb 0.00 -2.35 -0.03 0.00 -1.47 0.00 0.00 33.84 29.99 3ibj n VAL 450 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3ibj h ASP 451 N 6.11 0.00 -3.20 -1.34 3.58 -2.04 -3.40 116.42 116.13 3ibj h ASP 451 Ca 0.31 -0.15 -0.62 0.00 0.42 0.00 0.00 57.03 56.99 3ibj h ASP 451 Cb 0.71 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.34 3ibj h ASP 451 CO 1.40 0.72 -0.59 -0.62 -2.88 0.00 0.00 179.24 177.28 3ibj s ASP 452 N -5.79 4.69 0.00 2.28 -1.08 -1.26 -5.09 116.67 110.41 3ibj s ASP 452 Ca -0.09 -3.76 0.00 0.00 -0.52 0.00 0.00 52.55 48.18 3ibj s ASP 452 Cb 0.01 -1.60 0.00 0.00 -1.46 0.00 0.00 42.92 39.87 3ibj s ASP 452 CO 0.20 -0.10 0.00 -0.62 0.52 0.00 0.00 175.17 175.17 3ibj n GLU 453 N 2.10 0.00 -2.80 4.34 -0.58 -1.26 -4.91 120.64 117.52 3ibj n GLU 453 Ca 0.19 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.82 3ibj n GLU 453 Cb 0.35 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.29 3ibj n GLU 453 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3ibj n SER 454 N -1.43 -1.51 -0.85 1.62 3.41 -1.26 -4.64 113.62 108.95 3ibj n SER 454 Ca 0.00 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.29 3ibj n SER 454 Cb 0.00 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 3ibj n SER 454 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ibj n TYR 455 N 0.16 -1.59 -3.86 7.33 9.36 -1.26 -3.70 117.16 123.59 3ibj n TYR 455 Ca 0.08 0.91 -0.25 0.00 3.32 0.00 0.00 57.90 61.96 3ibj n TYR 455 Cb 0.72 -2.42 -0.17 0.00 -0.63 0.00 0.00 39.34 36.84 3ibj n TYR 455 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3ibj s GLU 456 N -2.68 1.09 -0.13 2.98 2.12 -1.26 -2.13 118.70 118.68 3ibj s GLU 456 Ca 0.00 -0.09 -0.17 0.00 0.36 0.00 0.00 54.97 55.08 3ibj s GLU 456 Cb 0.00 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 33.07 3ibj s GLU 456 CO 0.00 -0.27 0.42 0.42 -0.54 0.00 0.00 175.26 175.29 3ibj s ILE 457 N 1.79 5.22 -0.09 -3.70 -1.09 -0.91 -4.90 121.20 117.52 3ibj s ILE 457 Ca 0.04 0.83 0.02 0.00 -2.23 0.00 0.00 60.65 59.32 3ibj s ILE 457 Cb -0.12 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 3ibj s ILE 457 CO -0.06 0.34 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.70 3ibj s ARG 458 N 0.58 2.19 -0.02 2.79 3.00 -1.25 -0.96 118.95 125.28 3ibj s ARG 458 Ca 0.23 -0.57 0.05 0.00 0.00 0.00 0.00 55.73 55.44 3ibj s ARG 458 Cb -0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 34.95 33.02 3ibj s ARG 458 CO 0.08 0.03 -0.16 0.96 0.00 0.00 0.00 175.30 176.21 3ibj s ILE 459 N 0.70 1.32 0.13 1.52 -5.25 -0.12 -4.94 121.20 114.56 3ibj s ILE 459 Ca -0.13 -0.70 -0.34 0.00 -0.99 0.00 0.00 60.65 58.49 3ibj s ILE 459 Cb -0.16 -1.11 -0.17 0.00 2.95 0.00 0.00 42.46 43.97 3ibj s ILE 459 CO 0.03 0.38 1.14 -0.81 -1.79 0.00 0.00 174.94 173.89 3ibj n PRO 460 N 2.83 0.89 0.25 0.37 -0.04 -1.26 0.05 135.00 138.09 3ibj n PRO 460 Ca -0.16 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 3ibj n PRO 460 Cb 0.54 -1.81 0.64 0.00 -0.04 0.00 0.00 33.50 32.83 3ibj n PRO 460 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ibj h ALA 461 N 3.40 1.23 -0.17 0.55 0.00 -1.75 -0.46 119.26 122.07 3ibj h ALA 461 Ca -0.44 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3ibj h ALA 461 Cb 1.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3ibj h ALA 461 CO 0.70 -0.23 -0.05 -0.40 0.00 0.00 0.00 179.25 179.26 3ibj n ASP 462 N -2.52 2.95 -4.87 0.00 5.75 -1.26 -4.13 116.55 112.47 3ibj n ASP 462 Ca -0.02 -3.26 -0.32 0.00 -0.01 0.00 0.00 54.79 51.19 3ibj n ASP 462 Cb 0.31 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 3ibj n ASP 462 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ibj s GLN 463 N -2.96 3.28 1.56 0.11 -2.07 -0.18 -4.28 119.66 115.12 3ibj s GLN 463 Ca 0.39 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 3ibj s GLN 463 Cb 0.34 -2.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.29 3ibj s GLN 463 CO 0.04 0.62 0.00 0.41 -1.32 0.00 0.00 175.29 175.04 3ibj n GLY 464 N 0.61 0.40 0.41 2.60 0.00 -1.26 0.08 105.19 108.02 3ibj n GLY 464 Ca -0.08 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 3ibj n GLY 464 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ibj h ILE 465 N 0.00 0.00 -0.59 -0.61 2.04 -1.95 -0.74 117.51 115.66 3ibj h ILE 465 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3ibj h ILE 465 Cb 0.00 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.00 3ibj h ILE 465 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.28 3ibj h ALA 466 N -0.87 0.70 -0.39 1.87 0.00 -1.97 -0.76 119.26 117.84 3ibj h ALA 466 Ca -0.03 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ibj h ALA 466 Cb 0.67 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3ibj h ALA 466 CO -0.15 -0.30 0.06 0.78 0.00 0.00 0.00 179.25 179.63 3ibj h GLY 467 N 0.26 0.44 0.90 0.00 0.00 -0.08 0.77 103.07 105.36 3ibj h GLY 467 Ca 0.31 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 3ibj h GLY 467 CO -0.39 -0.05 -0.45 0.84 0.00 0.00 0.00 176.54 176.49 3ibj h HIS 468 N 0.18 -1.17 -0.74 5.60 6.17 -0.12 0.58 115.15 125.64 3ibj h HIS 468 Ca 0.19 -0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.39 3ibj h HIS 468 Cb 0.24 0.41 -0.05 0.00 2.52 0.00 0.00 27.41 30.53 3ibj h HIS 468 CO -0.22 -0.69 0.49 0.28 0.71 0.00 0.00 177.93 178.51 3ibj h VAL 469 N -1.15 0.82 -0.18 5.26 2.07 -0.89 0.82 116.25 122.99 3ibj h VAL 469 Ca -0.11 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.07 3ibj h VAL 469 Cb 0.91 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3ibj h VAL 469 CO 0.14 0.08 -0.68 0.00 0.02 0.00 0.00 177.57 177.13 3ibj h ALA 470 N 1.65 0.47 -0.03 1.67 0.00 0.83 0.74 119.26 124.60 3ibj h ALA 470 Ca 0.36 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3ibj h ALA 470 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ibj h ALA 470 CO -0.12 0.70 -0.20 1.15 0.00 0.00 0.00 179.25 180.78 3ibj h THR 471 N 0.50 1.49 0.00 0.00 2.02 0.13 -3.30 112.91 113.75 3ibj h THR 471 Ca -0.02 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.43 3ibj h THR 471 Cb 1.27 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 3ibj h THR 471 CO 0.13 0.48 -0.24 0.35 0.37 0.00 0.00 175.52 176.61 3ibj n THR 472 N -4.55 0.29 -2.26 3.16 -2.24 0.26 -4.96 114.28 103.97 3ibj n THR 472 Ca -0.09 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 3ibj n THR 472 Cb 0.45 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.34 3ibj n THR 472 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibj n GLY 473 N 1.40 -0.16 3.07 3.38 0.00 0.25 -4.97 105.19 108.17 3ibj n GLY 473 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3ibj n GLY 473 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ibj s GLN 474 N -4.76 0.79 1.03 1.61 -0.21 -1.24 -4.87 119.66 112.01 3ibj s GLN 474 Ca 0.00 -0.53 -0.17 0.00 0.02 0.00 0.00 55.36 54.68 3ibj s GLN 474 Cb 0.00 -0.75 0.03 0.00 1.00 0.00 0.00 33.01 33.29 3ibj s GLN 474 CO 0.00 0.19 -0.05 -0.89 -2.12 0.00 0.00 175.29 172.42 3ibj n ILE 475 N 2.35 0.00 -3.52 1.08 2.08 -1.26 -4.70 119.36 115.38 3ibj n ILE 475 Ca -0.16 -0.25 -0.11 0.00 0.56 0.00 0.00 62.75 62.79 3ibj n ILE 475 Cb 0.56 -0.50 -0.10 0.00 -0.75 0.00 0.00 39.64 38.84 3ibj n ILE 475 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3ibj s LEU 476 N 0.42 -0.51 -0.12 1.39 0.20 0.32 -4.99 118.68 115.39 3ibj s LEU 476 Ca 0.53 0.49 -0.03 0.00 0.69 0.00 0.00 54.13 55.81 3ibj s LEU 476 Cb -0.14 1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 46.61 3ibj s LEU 476 CO 0.68 -0.27 -0.01 0.21 -0.29 0.00 0.00 176.35 176.67 3ibj s ASN 477 N 2.52 5.09 -0.10 3.68 3.84 -1.26 -1.37 114.94 127.34 3ibj s ASN 477 Ca 0.05 0.03 0.01 0.00 0.21 0.00 0.00 52.86 53.16 3ibj s ASN 477 Cb -0.14 -1.62 0.02 0.00 -0.55 0.00 0.00 41.25 38.96 3ibj s ASN 477 CO -0.13 0.28 -0.11 -0.63 -2.79 0.00 0.00 177.10 173.72 3ibj s ILE 478 N -0.28 1.16 -0.03 -5.21 1.09 -0.22 -5.01 121.20 112.70 3ibj s ILE 478 Ca 0.06 -0.42 -0.05 0.00 -1.10 0.00 0.00 60.65 59.14 3ibj s ILE 478 Cb -0.12 -1.11 -0.03 0.00 -1.06 0.00 0.00 42.46 40.14 3ibj s ILE 478 CO 0.02 0.38 0.32 -0.65 -0.10 0.00 0.00 174.94 174.90 3ibj h PRO 479 N 7.62 -0.17 -5.29 2.79 0.10 -1.90 -2.52 132.00 132.63 3ibj h PRO 479 Ca -0.31 0.01 -0.68 0.00 0.10 0.00 0.00 66.00 65.12 3ibj h PRO 479 Cb 1.16 0.04 -0.33 0.00 0.10 0.00 0.00 31.00 31.97 3ibj h PRO 479 CO 0.45 -0.11 -0.87 0.34 0.10 0.00 0.00 178.00 177.91 3ibj s ASP 480 N -4.01 3.14 0.30 -2.05 2.15 -1.26 -3.93 116.67 111.00 3ibj s ASP 480 Ca -0.03 -0.56 0.16 0.00 0.43 0.00 0.00 52.55 52.55 3ibj s ASP 480 Cb 0.00 -1.43 0.10 0.00 -0.30 0.00 0.00 42.92 41.29 3ibj s ASP 480 CO 0.08 0.14 1.47 0.00 -0.17 0.00 0.00 175.17 176.68 3ibj h ALA 481 N 6.90 0.71 -0.02 3.66 0.00 -1.03 -3.22 119.26 126.27 3ibj h ALA 481 Ca -0.23 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.10 3ibj h ALA 481 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3ibj h ALA 481 CO 0.50 0.57 -0.71 1.88 0.00 0.00 0.00 179.25 181.49 3ibj h TYR 482 N 0.00 0.16 0.00 0.00 -1.99 -1.85 -2.08 116.97 111.21 3ibj h TYR 482 Ca -0.00 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3ibj h TYR 482 Cb 1.34 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.05 3ibj h TYR 482 CO 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 178.16 178.95 3ibj n ALA 483 N -2.44 1.96 -2.80 3.88 0.00 -1.22 -4.69 120.51 115.20 3ibj n ALA 483 Ca -0.02 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 3ibj n ALA 483 Cb 0.69 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 3ibj n ALA 483 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ibj s HIS 484 N -2.00 3.34 0.56 0.00 5.04 -0.78 -4.98 115.29 116.47 3ibj s HIS 484 Ca 0.14 0.23 0.36 0.00 -1.54 0.00 0.00 55.06 54.25 3ibj s HIS 484 Cb 0.06 -2.04 1.50 0.00 0.04 0.00 0.00 32.58 32.15 3ibj s HIS 484 CO 0.11 0.33 1.75 -1.00 -2.34 0.00 0.00 174.74 173.59 3ibj h PRO 485 N 6.19 0.00 0.00 2.88 0.13 -1.87 -2.80 132.00 136.54 3ibj h PRO 485 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3ibj h PRO 485 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ibj h PRO 485 CO 0.68 0.00 -1.34 1.28 -0.23 0.00 0.00 178.00 178.39 3ibj n LEU 486 N -4.00 0.59 0.00 1.56 4.77 -1.26 -5.15 117.00 113.51 3ibj n LEU 486 Ca 0.24 -0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 55.90 3ibj n LEU 486 Cb 1.26 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.36 3ibj n LEU 486 CO 0.37 0.15 0.02 0.33 -1.33 0.00 0.00 177.39 176.93 3ibj n PHE 487 N -1.77 -1.46 0.00 -1.77 7.35 -1.06 -4.61 117.46 114.15 3ibj n PHE 487 Ca 0.01 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3ibj n PHE 487 Cb 0.40 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.12 3ibj n PHE 487 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3ibj n SER 494 N -2.05 0.00 -2.56 -2.13 2.88 -1.26 -5.07 113.62 103.42 3ibj n SER 494 Ca 0.01 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.27 3ibj n SER 494 Cb 0.03 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 3ibj n SER 494 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3ibj n THR 495 N 0.00 2.53 0.00 2.46 -1.04 -1.26 -4.88 114.28 112.09 3ibj n THR 495 Ca 0.00 -4.98 0.00 0.00 -2.04 0.00 0.00 64.05 57.03 3ibj n THR 495 Cb 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 3ibj n THR 495 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ibj n GLY 496 N -0.46 3.22 0.03 3.41 0.00 -1.26 -5.00 105.19 105.13 3ibj n GLY 496 Ca 0.39 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 3ibj n GLY 496 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ibj h PHE 497 N 0.00 -0.08 -4.54 1.61 3.57 -2.11 -3.48 116.94 111.90 3ibj h PHE 497 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ibj h PHE 497 Cb 0.00 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3ibj h PHE 497 CO 0.00 -0.03 -0.68 0.54 -2.23 0.00 0.00 178.31 175.91 3ibj n ARG 498 N -2.57 -2.44 -3.06 1.11 1.74 -1.26 -4.98 116.66 105.20 3ibj n ARG 498 Ca -0.01 2.11 -0.39 0.00 -0.77 0.00 0.00 57.85 58.79 3ibj n ARG 498 Cb 0.02 -4.20 -0.05 0.00 -1.02 0.00 0.00 32.46 27.21 3ibj n ARG 498 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ibj s THR 499 N -1.29 4.81 0.00 0.55 2.01 -1.26 -5.06 115.64 115.41 3ibj s THR 499 Ca 0.02 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.51 3ibj s THR 499 Cb -0.01 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.46 3ibj s THR 499 CO 0.56 0.37 0.00 0.54 -0.69 0.00 0.00 174.62 175.41 3ibj n ARG 500 N 2.86 0.00 -4.07 4.92 1.74 -1.26 -4.65 116.66 116.20 3ibj n ARG 500 Ca -0.04 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 3ibj n ARG 500 Cb 0.51 -0.19 -0.05 0.00 -1.02 0.00 0.00 32.46 31.70 3ibj n ARG 500 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ibj s ASN 501 N -1.00 4.52 -0.17 0.55 2.20 -1.25 -0.45 114.94 119.33 3ibj s ASN 501 Ca 0.00 -1.15 -0.10 0.00 -0.94 0.00 0.00 52.86 50.67 3ibj s ASN 501 Cb 0.00 -0.14 0.06 0.00 -2.00 0.00 0.00 41.25 39.17 3ibj s ASN 501 CO 0.00 -0.74 0.42 -0.63 -2.94 0.00 0.00 177.10 173.21 3ibj s ILE 502 N -2.66 -0.02 -0.20 0.54 1.01 -0.95 -1.01 121.20 117.91 3ibj s ILE 502 Ca 0.36 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.10 3ibj s ILE 502 Cb 0.01 -0.62 0.03 0.00 0.01 0.00 0.00 42.46 41.89 3ibj s ILE 502 CO 0.21 0.03 -0.17 -0.22 0.00 0.00 0.00 174.94 174.79 3ibj s LEU 503 N 1.30 2.43 -0.04 2.97 2.96 -0.38 -1.05 118.68 126.87 3ibj s LEU 503 Ca -0.09 -0.79 0.06 0.00 -0.22 0.00 0.00 54.13 53.09 3ibj s LEU 503 Cb -0.08 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 3ibj s LEU 503 CO -0.12 -0.04 -0.21 0.00 -1.32 0.00 0.00 176.35 174.67 3ibj s PHE 505 N -0.20 -0.01 0.86 0.00 -0.12 -0.54 -0.53 117.98 117.44 3ibj s PHE 505 Ca 0.00 -0.03 -0.12 0.00 -0.05 0.00 0.00 56.93 56.74 3ibj s PHE 505 Cb -0.11 -0.02 0.11 0.00 -0.63 0.00 0.00 43.02 42.37 3ibj s PHE 505 CO 0.02 -0.29 1.10 -1.25 -0.05 0.00 0.00 175.22 174.74 3ibj s PRO 506 N -1.28 1.57 -0.06 1.99 0.04 -1.26 -1.26 135.00 134.73 3ibj s PRO 506 Ca -0.14 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 61.53 3ibj s PRO 506 Cb -0.07 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3ibj s PRO 506 CO 0.02 -1.99 -0.12 -0.89 0.04 0.00 0.00 177.00 174.05 3ibj n ILE 507 N -3.69 0.80 -1.44 0.56 -0.00 0.25 -4.85 119.36 111.00 3ibj n ILE 507 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.83 3ibj n ILE 507 Cb 0.56 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.49 3ibj n ILE 507 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 3ibj n LYS 508 N -3.57 -2.97 -1.57 0.38 2.85 -1.22 -4.53 118.16 107.53 3ibj n LYS 508 Ca -0.14 2.27 -0.05 0.00 -1.05 0.00 0.00 58.31 59.34 3ibj n LYS 508 Cb 0.48 -2.89 0.01 0.00 -0.65 0.00 0.00 35.03 31.98 3ibj n LYS 508 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3ibj n ASN 509 N -1.86 0.68 -0.40 -5.58 0.23 -0.29 -4.59 115.26 103.46 3ibj n ASN 509 Ca 0.00 -1.36 0.35 0.00 -0.53 0.00 0.00 54.58 53.03 3ibj n ASN 509 Cb 0.20 -0.08 0.58 0.00 -2.08 0.00 0.00 39.78 38.41 3ibj n ASN 509 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ibj n GLU 510 N -1.17 -0.03 0.00 -3.83 -0.58 -1.26 -2.65 120.64 111.12 3ibj n GLU 510 Ca 0.03 1.09 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 3ibj n GLU 510 Cb 0.14 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 3ibj n GLU 510 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ibj n ASN 511 N -4.45 0.00 -0.05 1.62 5.03 -1.26 -4.98 115.26 111.16 3ibj n ASN 511 Ca 0.35 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.80 3ibj n ASN 511 Cb 1.35 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.11 3ibj n ASN 511 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ibj n GLN 512 N -0.03 0.00 -2.42 3.52 6.02 -1.08 -5.10 117.38 118.29 3ibj n GLN 512 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3ibj n GLN 512 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3ibj n GLN 512 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ibj s GLU 513 N 0.00 3.67 -0.26 -1.09 2.02 -1.26 -4.72 118.70 117.07 3ibj s GLU 513 Ca 0.00 0.91 -0.39 0.00 0.02 0.00 0.00 54.97 55.51 3ibj s GLU 513 Cb 0.00 -3.97 -0.15 0.00 0.10 0.00 0.00 34.13 30.11 3ibj s GLU 513 CO 0.00 -1.44 1.78 0.28 0.02 0.00 0.00 175.26 175.90 3ibj n VAL 514 N 6.86 0.35 -0.02 2.63 0.31 -1.26 -1.13 118.33 126.06 3ibj n VAL 514 Ca 0.15 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.45 3ibj n VAL 514 Cb 0.48 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.97 3ibj n VAL 514 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibj n ILE 515 N 4.77 0.20 -3.84 2.52 0.00 -1.26 -4.63 119.36 117.13 3ibj n ILE 515 Ca 0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 62.75 62.57 3ibj n ILE 515 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 39.64 39.78 3ibj n ILE 515 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ibj s GLY 516 N -3.86 0.02 0.04 4.50 0.00 -1.26 -1.22 107.32 105.53 3ibj s GLY 516 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.28 3ibj s GLY 516 CO 0.58 -0.08 -0.04 0.14 0.00 0.00 0.00 173.10 173.69 3ibj s VAL 517 N -3.43 0.28 -0.11 1.40 1.01 -0.14 0.88 120.40 120.30 3ibj s VAL 517 Ca 0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 3ibj s VAL 517 Cb -0.05 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.69 3ibj s VAL 517 CO 0.08 -0.59 0.25 0.00 0.00 0.00 0.00 175.10 174.83 3ibj s ALA 518 N -2.06 -0.56 -0.01 5.51 0.00 -0.39 -0.32 121.76 123.93 3ibj s ALA 518 Ca -0.08 0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.95 3ibj s ALA 518 Cb -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3ibj s ALA 518 CO -0.03 -0.22 -0.25 -1.83 0.00 0.00 0.00 175.76 173.44 3ibj s GLU 519 N 1.32 2.01 -0.14 0.00 -1.05 -0.49 -1.47 118.70 118.87 3ibj s GLU 519 Ca -0.09 -0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 53.80 3ibj s GLU 519 Cb -0.10 -1.95 -0.02 0.00 -0.44 0.00 0.00 34.13 31.61 3ibj s GLU 519 CO -0.09 0.53 -0.07 -0.51 0.95 0.00 0.00 175.26 176.08 3ibj s LEU 520 N -0.63 3.07 -0.15 1.83 1.43 0.41 -1.44 118.68 123.19 3ibj s LEU 520 Ca 0.10 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3ibj s LEU 520 Cb -0.10 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 3ibj s LEU 520 CO -0.01 0.19 -0.14 -0.69 0.23 0.00 0.00 176.35 175.93 3ibj s VAL 521 N 0.24 2.78 0.10 -1.59 1.01 0.24 -1.25 120.40 121.93 3ibj s VAL 521 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3ibj s VAL 521 Cb -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3ibj s VAL 521 CO 0.04 0.51 0.00 0.59 0.00 0.00 0.00 175.10 176.24 3ibj n ASN 522 N 4.00 -4.92 -4.75 3.32 3.02 -0.18 -1.32 115.26 114.44 3ibj n ASN 522 Ca -0.19 0.56 -0.40 0.00 -0.03 0.00 0.00 54.58 54.53 3ibj n ASN 522 Cb 0.52 -2.41 -0.05 0.00 -0.61 0.00 0.00 39.78 37.22 3ibj n ASN 522 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ibj s LYS 523 N -2.30 4.45 -0.13 3.52 2.47 -1.26 -0.87 119.74 125.61 3ibj s LYS 523 Ca 0.00 0.97 -0.18 0.00 -1.56 0.00 0.00 55.97 55.19 3ibj s LYS 523 Cb 0.00 -3.37 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 3ibj s LYS 523 CO 0.00 0.28 0.49 0.42 0.16 0.00 0.00 175.35 176.70 3ibj s ILE 524 N 0.02 5.17 -0.88 5.43 -1.09 -1.01 -4.15 121.20 124.69 3ibj s ILE 524 Ca 0.37 0.98 -0.03 0.00 -2.23 0.00 0.00 60.65 59.73 3ibj s ILE 524 Cb -0.20 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 3ibj s ILE 524 CO 0.21 0.30 0.78 -3.20 -1.23 0.00 0.00 174.94 171.80 3ibj n ASN 525 N 3.87 -7.14 0.00 3.58 5.15 -1.26 -5.00 115.26 114.46 3ibj n ASN 525 Ca -0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.52 3ibj n ASN 525 Cb 0.51 -5.04 0.00 0.00 -0.53 0.00 0.00 39.78 34.72 3ibj n ASN 525 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ibj n GLY 526 N -1.56 2.26 0.14 8.20 0.00 -1.26 -5.00 105.19 107.97 3ibj n GLY 526 Ca -0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 3ibj n GLY 526 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ibj h PRO 527 N 0.00 0.42 0.00 1.61 0.13 -1.95 -3.43 132.00 128.78 3ibj h PRO 527 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3ibj h PRO 527 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 3ibj h PRO 527 CO 0.00 1.09 0.00 -2.67 -0.23 0.00 0.00 178.00 176.19 3ibj n TRP 528 N -4.22 0.00 -3.85 1.56 2.14 -1.26 -4.76 117.44 107.04 3ibj n TRP 528 Ca -0.10 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.12 3ibj n TRP 528 Cb 0.66 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 31.03 3ibj n TRP 528 CO 0.00 0.00 0.00 -0.06 2.07 0.00 0.00 177.69 179.70 3ibj s PHE 529 N 0.90 3.42 0.15 -2.67 0.40 -1.26 -4.62 117.98 114.29 3ibj s PHE 529 Ca 0.00 -2.10 -0.28 0.00 -0.60 0.00 0.00 56.93 53.95 3ibj s PHE 529 Cb 0.00 -2.61 -0.16 0.00 0.51 0.00 0.00 43.02 40.76 3ibj s PHE 529 CO 0.00 -0.87 0.58 0.43 0.70 0.00 0.00 175.22 176.06 3ibj n SER 530 N 4.61 -0.94 -0.40 1.36 7.64 -1.26 -4.63 113.62 119.99 3ibj n SER 530 Ca -0.08 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.86 3ibj n SER 530 Cb 0.43 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3ibj n SER 530 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ibj n LYS 531 N 1.02 0.52 -0.03 1.43 4.76 -1.26 0.14 118.16 124.74 3ibj n LYS 531 Ca 0.17 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.60 3ibj n LYS 531 Cb 0.20 -1.21 -0.07 0.00 -1.84 0.00 0.00 35.03 32.11 3ibj n LYS 531 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3ibj n PHE 532 N 0.10 0.00 -2.74 2.13 7.35 -1.26 -4.51 117.46 118.53 3ibj n PHE 532 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 3ibj n PHE 532 Cb 0.10 -0.37 -0.02 0.00 0.35 0.00 0.00 39.48 39.55 3ibj n PHE 532 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3ibj s ASP 533 N -3.76 6.72 0.00 -2.13 1.01 0.38 -1.71 116.67 117.19 3ibj s ASP 533 Ca -0.04 -2.14 0.00 0.00 0.71 0.00 0.00 52.55 51.08 3ibj s ASP 533 Cb 0.04 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3ibj s ASP 533 CO 0.39 -1.16 0.00 1.21 0.21 0.00 0.00 175.17 175.82 3ibj n GLU 534 N 7.51 0.00 0.08 8.23 2.13 -1.26 -4.55 120.64 132.78 3ibj n GLU 534 Ca 0.35 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.04 3ibj n GLU 534 Cb 0.48 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 3ibj n GLU 534 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3ibj h ASP 535 N 0.00 0.40 -0.20 4.31 5.19 -1.76 1.05 116.42 125.42 3ibj h ASP 535 Ca 0.00 -0.35 -0.05 0.00 -0.62 0.00 0.00 57.03 56.00 3ibj h ASP 535 Cb 0.00 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3ibj h ASP 535 CO 0.00 1.19 -0.09 0.25 -3.12 0.00 0.00 179.24 177.47 3ibj h LEU 536 N 0.14 0.42 -0.43 1.55 6.46 -1.65 0.11 115.31 121.91 3ibj h LEU 536 Ca -0.08 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.29 3ibj h LEU 536 Cb 1.66 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.45 3ibj h LEU 536 CO 0.16 0.73 0.28 0.00 -0.62 0.00 0.00 178.44 178.99 3ibj h ALA 537 N 0.70 0.55 -0.16 1.25 0.00 -1.72 -0.94 119.26 118.94 3ibj h ALA 537 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ibj h ALA 537 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ibj h ALA 537 CO 0.03 -0.02 0.11 1.15 0.00 0.00 0.00 179.25 180.52 3ibj h THR 538 N 0.57 1.05 0.08 0.00 2.02 0.13 0.26 112.91 117.01 3ibj h THR 538 Ca 0.16 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.26 3ibj h THR 538 Cb -0.05 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3ibj h THR 538 CO -0.05 0.05 -0.46 0.00 0.37 0.00 0.00 175.52 175.43 3ibj h ALA 539 N 1.05 -0.93 -0.14 6.16 0.00 -0.25 -2.58 119.26 122.58 3ibj h ALA 539 Ca 0.06 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3ibj h ALA 539 Cb -0.01 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3ibj h ALA 539 CO -0.01 -1.04 -0.28 0.35 0.00 0.00 0.00 179.25 178.26 3ibj h PHE 540 N -0.63 -0.77 0.00 0.00 3.57 -1.14 -0.63 116.94 117.35 3ibj h PHE 540 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ibj h PHE 540 Cb 0.64 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3ibj h PHE 540 CO -0.45 -0.36 0.75 1.03 -2.23 0.00 0.00 178.31 177.05 3ibj h SER 541 N -0.35 0.00 0.00 0.41 0.87 -0.16 0.64 113.55 114.95 3ibj h SER 541 Ca 0.10 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3ibj h SER 541 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3ibj h SER 541 CO -0.34 0.00 -0.03 0.40 -0.53 0.00 0.00 176.83 176.34 3ibj h ILE 542 N 0.00 1.71 0.00 2.23 2.04 -0.72 -2.76 117.51 120.00 3ibj h ILE 542 Ca 0.00 -2.13 -0.04 0.00 1.00 0.00 0.00 64.86 63.70 3ibj h ILE 542 Cb 1.50 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 40.73 3ibj h ILE 542 CO 0.00 0.55 -0.18 1.88 0.00 0.00 0.00 178.15 180.41 3ibj h TYR 543 N -0.88 0.00 -0.11 1.37 -1.99 0.15 -0.61 116.97 114.90 3ibj h TYR 543 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3ibj h TYR 543 Cb 0.92 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.65 3ibj h TYR 543 CO 0.24 0.18 0.01 0.00 -0.00 0.00 0.00 178.16 178.58 3ibj h GLY 545 N -0.07 0.72 0.75 0.00 0.00 -0.96 0.16 103.07 103.66 3ibj h GLY 545 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3ibj h GLY 545 CO 0.00 0.34 -0.36 -2.22 0.00 0.00 0.00 176.54 174.31 3ibj h ILE 546 N 0.66 0.00 -0.35 2.60 1.08 -0.88 -2.31 117.51 118.30 3ibj h ILE 546 Ca 0.16 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 64.34 3ibj h ILE 546 Cb 0.17 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 3ibj h ILE 546 CO -0.01 0.00 0.04 0.77 -0.69 0.00 0.00 178.15 178.26 3ibj h SER 547 N -1.25 0.58 -0.04 1.72 4.64 -1.05 -2.60 113.55 115.55 3ibj h SER 547 Ca -0.10 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 60.96 3ibj h SER 547 Cb 0.77 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3ibj h SER 547 CO 0.17 0.71 -0.09 0.40 -0.87 0.00 0.00 176.83 177.15 3ibj h ILE 548 N 0.43 0.76 -0.47 0.95 2.04 -0.76 0.43 117.51 120.89 3ibj h ILE 548 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 3ibj h ILE 548 Cb 0.39 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3ibj h ILE 548 CO 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.16 3ibj h ALA 549 N 0.88 0.43 -0.10 1.87 0.00 -1.25 0.39 119.26 121.48 3ibj h ALA 549 Ca 0.05 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ibj h ALA 549 Cb 0.20 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ibj h ALA 549 CO -0.12 -0.39 -0.20 1.25 0.00 0.00 0.00 179.25 179.79 3ibj h HIS 550 N 0.11 0.39 -0.48 0.00 -0.00 -1.20 -1.55 115.15 112.42 3ibj h HIS 550 Ca 0.23 -0.14 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 3ibj h HIS 550 Cb 0.35 -0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 27.59 3ibj h HIS 550 CO -0.30 0.81 -0.36 1.03 -0.00 0.00 0.00 177.93 179.10 3ibj h SER 551 N -0.15 -1.23 0.05 3.26 0.87 0.53 0.31 113.55 117.20 3ibj h SER 551 Ca 0.00 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3ibj h SER 551 Cb 0.79 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 3ibj h SER 551 CO 0.04 -0.33 -0.02 -0.07 -0.53 0.00 0.00 176.83 175.92 3ibj h LEU 552 N -0.24 -0.05 -1.97 2.23 3.38 -0.98 -1.89 115.31 115.78 3ibj h LEU 552 Ca 0.18 -0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.52 3ibj h LEU 552 Cb 0.56 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3ibj h LEU 552 CO -0.61 -0.01 0.97 0.25 0.09 0.00 0.00 178.44 179.13 3ibj h LEU 553 N -0.09 0.02 0.14 1.67 6.46 -0.00 0.46 115.31 123.95 3ibj h LEU 553 Ca -0.01 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 3ibj h LEU 553 Cb 0.08 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3ibj h LEU 553 CO 0.01 -0.00 -1.69 0.22 -0.62 0.00 0.00 178.44 176.36 3ibj h TYR 554 N 0.01 0.52 0.30 1.25 3.20 -0.48 -3.29 116.97 118.49 3ibj h TYR 554 Ca 0.65 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3ibj h TYR 554 Cb 2.57 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 40.80 3ibj h TYR 554 CO -0.00 1.52 -0.28 -0.22 -1.64 0.00 0.00 178.16 177.54 3ibj h LYS 555 N 0.08 -0.58 -0.99 1.82 3.64 -0.17 -1.45 116.57 118.91 3ibj h LYS 555 Ca -0.31 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.29 3ibj h LYS 555 Cb 2.05 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 33.83 3ibj h LYS 555 CO 0.15 -0.39 -0.32 1.63 -2.27 0.00 0.00 179.45 178.26 3ibj n LYS 556 N -5.40 -0.16 0.00 1.90 4.76 -0.64 0.16 118.16 118.79 3ibj n LYS 556 Ca -0.09 1.54 0.00 0.00 -2.87 0.00 0.00 58.31 56.89 3ibj n LYS 556 Cb 0.30 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 3ibj n LYS 556 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ibj n VAL 557 N -5.54 0.00 -0.47 -0.18 0.31 -0.91 -1.70 118.33 109.84 3ibj n VAL 557 Ca 0.13 1.39 0.39 0.00 -0.01 0.00 0.00 64.34 66.23 3ibj n VAL 557 Cb 0.45 -2.36 0.64 0.00 -0.91 0.00 0.00 33.84 31.65 3ibj n VAL 557 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ibj n ASN 558 N -1.70 0.15 0.10 4.52 3.02 -0.60 0.08 115.26 120.82 3ibj n ASN 558 Ca 0.00 1.18 -0.04 0.00 -0.03 0.00 0.00 54.58 55.69 3ibj n ASN 558 Cb 0.00 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.57 3ibj n ASN 558 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ibj h GLU 559 N 0.00 -0.25 -0.25 3.52 4.39 -0.09 -0.20 114.58 121.71 3ibj h GLU 559 Ca 0.80 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.59 3ibj h GLU 559 Cb 2.73 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 31.42 3ibj h GLU 559 CO -0.34 -0.16 0.92 0.00 -1.16 0.00 0.00 179.01 178.27 3ibj h ALA 560 N -1.78 2.12 0.14 3.43 0.00 0.54 0.60 119.26 124.31 3ibj h ALA 560 Ca -0.03 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 3ibj h ALA 560 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ibj h ALA 560 CO 0.04 -1.05 -1.90 0.37 0.00 0.00 0.00 179.25 176.71 3ibj h GLN 561 N 0.00 0.29 -0.17 0.00 5.75 -0.79 -3.21 115.11 116.97 3ibj h GLN 561 Ca 0.12 -0.49 -0.14 0.00 -0.15 0.00 0.00 58.65 57.99 3ibj h GLN 561 Cb 1.96 0.18 0.00 0.00 1.07 0.00 0.00 27.48 30.69 3ibj h GLN 561 CO -0.00 1.20 -0.43 -0.92 -2.65 0.00 0.00 178.83 176.03 3ibj h TYR 562 N 0.08 0.76 0.00 3.99 3.20 0.20 -2.65 116.97 122.54 3ibj h TYR 562 Ca -0.39 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.19 3ibj h TYR 562 Cb 2.05 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.19 3ibj h TYR 562 CO 0.08 1.06 0.00 0.54 -1.64 0.00 0.00 178.16 178.20 3ibj n ARG 563 N -4.24 0.07 -0.10 1.82 1.74 0.16 -0.41 116.66 115.70 3ibj n ARG 563 Ca -0.07 0.24 -0.15 0.00 -0.77 0.00 0.00 57.85 57.11 3ibj n ARG 563 Cb 0.56 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 3ibj n ARG 563 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ibj n SER 564 N -1.29 1.93 -0.17 0.55 7.64 -1.09 -4.21 113.62 116.98 3ibj n SER 564 Ca 0.02 0.36 0.03 0.00 1.01 0.00 0.00 58.87 60.29 3ibj n SER 564 Cb 0.04 -0.78 0.30 0.00 -1.01 0.00 0.00 64.21 62.77 3ibj n SER 564 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3ibj h HIS 565 N -1.00 0.82 -0.79 1.43 3.86 -1.14 1.01 115.15 119.35 3ibj h HIS 565 Ca -0.20 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3ibj h HIS 565 Cb 1.14 -0.28 -0.07 0.00 1.06 0.00 0.00 27.41 29.27 3ibj h HIS 565 CO -0.31 0.50 0.45 1.25 0.86 0.00 0.00 177.93 180.68 3ibj h LEU 566 N 0.87 0.65 0.23 2.43 7.12 -0.96 3.23 115.31 128.87 3ibj h LEU 566 Ca 0.26 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.30 3ibj h LEU 566 Cb -0.02 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 3ibj h LEU 566 CO -0.07 0.38 -0.11 0.00 -0.13 0.00 0.00 178.44 178.52 3ibj h ALA 567 N 1.43 -0.30 -0.85 1.25 0.00 -1.21 -3.16 119.26 116.43 3ibj h ALA 567 Ca 0.37 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.34 3ibj h ALA 567 Cb 0.31 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.07 3ibj h ALA 567 CO -0.23 -0.32 0.03 -0.97 0.00 0.00 0.00 179.25 177.76 3ibj h ASN 568 N -1.01 -0.36 -0.65 0.00 -1.24 0.14 0.26 115.58 112.71 3ibj h ASN 568 Ca -0.03 0.22 0.14 0.00 0.71 0.00 0.00 56.30 57.34 3ibj h ASN 568 Cb 0.40 0.38 -0.10 0.00 0.73 0.00 0.00 38.32 39.73 3ibj h ASN 568 CO 0.05 -0.23 0.06 1.05 -1.29 0.00 0.00 177.43 177.07 3ibj h GLU 569 N 0.09 0.17 -0.62 6.67 4.11 0.59 -2.39 114.58 123.20 3ibj h GLU 569 Ca 0.48 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.84 3ibj h GLU 569 Cb 0.91 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3ibj h GLU 569 CO -0.75 0.11 0.14 0.52 0.07 0.00 0.00 179.01 179.09 3ibj h MET 570 N 0.17 0.98 -0.84 1.06 2.86 -0.46 -2.23 114.93 116.48 3ibj h MET 570 Ca 0.35 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3ibj h MET 570 Cb 0.57 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3ibj h MET 570 CO -0.51 0.88 0.00 -1.33 1.06 0.00 0.00 176.91 177.01 3ibj n MET 571 N -4.24 0.80 0.00 1.72 2.81 -0.90 -2.67 117.12 114.63 3ibj n MET 571 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3ibj n MET 571 Cb 0.25 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3ibj n MET 571 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3ibj n MET 572 N 0.16 2.27 -3.69 0.03 2.81 -0.85 -4.96 117.12 112.89 3ibj n MET 572 Ca 0.00 -0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.60 3ibj n MET 572 Cb 0.22 -0.26 0.06 0.00 -0.71 0.00 0.00 33.22 32.53 3ibj n MET 572 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ibj n TYR 573 N -0.33 -2.61 -3.92 2.03 0.53 -1.09 -3.21 117.16 108.56 3ibj n TYR 573 Ca 0.00 0.94 -0.31 0.00 -1.02 0.00 0.00 57.90 57.52 3ibj n TYR 573 Cb 0.02 -4.57 -0.00 0.00 -1.03 0.00 0.00 39.34 33.76 3ibj n TYR 573 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3ibj n HIS 574 N -4.85 -1.65 -2.11 -0.72 8.25 -1.15 -4.95 115.22 108.04 3ibj n HIS 574 Ca 0.02 0.55 -0.40 0.00 -0.26 0.00 0.00 57.72 57.63 3ibj n HIS 574 Cb 0.55 -3.44 -0.02 0.00 1.12 0.00 0.00 29.99 28.20 3ibj n HIS 574 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3ibj s MET 575 N -6.58 4.20 -0.27 -0.41 -1.94 -1.20 -5.02 119.30 108.10 3ibj s MET 575 Ca 0.21 2.17 -0.04 0.00 -1.71 0.00 0.00 55.69 56.32 3ibj s MET 575 Cb -0.09 -2.94 0.10 0.00 2.01 0.00 0.00 34.83 33.92 3ibj s MET 575 CO 0.90 -0.30 0.16 -1.59 -0.01 0.00 0.00 175.02 174.18 3ibj s LYS 576 N -1.98 0.19 -0.24 2.03 0.00 -1.26 -5.10 119.74 113.39 3ibj s LYS 576 Ca 0.52 -0.35 -0.21 0.00 0.00 0.00 0.00 55.97 55.93 3ibj s LYS 576 Cb -0.38 -1.17 -0.02 0.00 0.00 0.00 0.00 37.83 36.25 3ibj s LYS 576 CO 0.50 -0.95 0.64 0.08 0.00 0.00 0.00 175.35 175.63 3ibj s VAL 577 N 2.17 4.98 0.54 1.79 1.01 -1.26 -5.03 120.40 124.60 3ibj s VAL 577 Ca 0.08 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 3ibj s VAL 577 Cb -0.16 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3ibj s VAL 577 CO -0.31 0.04 1.02 -0.55 0.00 0.00 0.00 175.10 175.31 3ibj s SER 578 N 1.39 6.24 0.57 3.32 0.15 -1.26 -4.93 113.70 119.18 3ibj s SER 578 Ca 0.27 1.75 0.37 0.00 0.70 0.00 0.00 55.95 59.05 3ibj s SER 578 Cb -0.16 -2.53 2.02 0.00 -1.71 0.00 0.00 66.02 63.65 3ibj s SER 578 CO 0.09 -0.85 2.14 0.44 1.20 0.00 0.00 173.24 176.25 3ibj h ASP 579 N 0.91 0.00 0.03 5.45 5.19 -2.00 -2.03 116.42 123.96 3ibj h ASP 579 Ca -0.47 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.67 3ibj h ASP 579 Cb 1.21 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 3ibj h ASP 579 CO 0.59 0.00 -1.44 -0.78 -3.12 0.00 0.00 179.24 174.49 3ibj h ASP 580 N 0.00 0.10 -0.09 6.45 3.58 -1.99 -3.29 116.42 121.19 3ibj h ASP 580 Ca 0.00 -0.61 0.04 0.00 0.42 0.00 0.00 57.03 56.88 3ibj h ASP 580 Cb 0.05 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.00 3ibj h ASP 580 CO 0.00 1.58 -0.46 -0.33 -2.88 0.00 0.00 179.24 177.15 3ibj h GLU 581 N -0.75 -0.53 0.13 0.28 5.08 -1.77 0.11 114.58 117.13 3ibj h GLU 581 Ca -0.37 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3ibj h GLU 581 Cb 1.48 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 3ibj h GLU 581 CO -0.14 -0.35 -0.14 0.10 -1.00 0.00 0.00 179.01 177.47 3ibj h TYR 582 N -0.55 -0.37 -0.35 4.33 -0.00 -1.62 -0.90 116.97 117.51 3ibj h TYR 582 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.86 3ibj h TYR 582 Cb 0.66 0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.52 3ibj h TYR 582 CO -0.50 -0.22 0.24 1.79 -0.00 0.00 0.00 178.16 179.48 3ibj h THR 583 N -0.31 0.90 -0.38 -0.90 1.35 -1.58 0.70 112.91 112.71 3ibj h THR 583 Ca 0.01 -0.05 -0.15 0.00 -0.55 0.00 0.00 66.41 65.66 3ibj h THR 583 Cb 0.30 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 3ibj h THR 583 CO -0.05 0.03 -0.36 0.11 -0.25 0.00 0.00 175.52 175.00 3ibj h LYS 584 N 0.15 0.90 0.09 4.72 1.57 -0.01 -3.10 116.57 120.90 3ibj h LYS 584 Ca 0.16 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ibj h LYS 584 Cb 0.44 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ibj h LYS 584 CO -0.02 1.12 -0.04 1.25 -0.57 0.00 0.00 179.45 181.19 3ibj h LEU 585 N 0.71 -0.10 -5.85 2.94 6.46 0.31 -3.34 115.31 116.44 3ibj h LEU 585 Ca 0.06 -0.36 -0.71 0.00 -0.12 0.00 0.00 57.88 56.75 3ibj h LEU 585 Cb 0.95 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 3ibj h LEU 585 CO 0.09 0.33 3.16 0.18 -0.62 0.00 0.00 178.44 181.58 3ibj n LEU 586 N -4.94 7.23 -4.14 2.25 4.77 0.23 -4.84 117.00 117.55 3ibj n LEU 586 Ca -0.09 -4.24 -0.44 0.00 -0.03 0.00 0.00 56.01 51.21 3ibj n LEU 586 Cb 0.24 -1.62 0.01 0.00 -2.33 0.00 0.00 43.42 39.71 3ibj n LEU 586 CO 0.32 1.33 1.03 1.57 -1.33 0.00 0.00 177.39 180.31 3ibj n HIS 587 N 5.35 3.49 0.00 -1.77 -0.00 -1.21 -4.72 115.22 116.35 3ibj n HIS 587 Ca 0.56 -3.11 0.00 0.00 0.46 0.00 0.00 57.72 55.63 3ibj n HIS 587 Cb 0.36 -1.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.76 3ibj n HIS 587 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3ibj n ASP 588 N 1.98 0.00 -4.15 0.26 9.92 -1.26 -4.74 116.55 118.56 3ibj n ASP 588 Ca 0.26 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 54.14 3ibj n ASP 588 Cb 0.36 -0.16 -0.10 0.00 -0.64 0.00 0.00 41.12 40.58 3ibj n ASP 588 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ibj s GLY 589 N -0.22 2.10 0.35 0.44 0.00 -1.26 -4.91 107.32 103.82 3ibj s GLY 589 Ca 0.00 -2.66 0.27 0.00 0.00 0.00 0.00 44.72 42.33 3ibj s GLY 589 CO 0.00 1.07 1.79 -2.22 0.00 0.00 0.00 173.10 173.74 3ibj h ILE 590 N 6.10 0.00 -3.55 0.90 2.04 -1.94 -3.49 117.51 117.57 3ibj h ILE 590 Ca -0.13 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3ibj h ILE 590 Cb 1.04 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3ibj h ILE 590 CO 0.75 0.00 -0.91 1.67 0.00 0.00 0.00 178.15 179.66 3ibj n GLN 591 N -2.58 -4.01 -3.23 2.37 7.27 -1.26 -4.31 117.38 111.64 3ibj n GLN 591 Ca 0.03 3.09 -0.19 0.00 0.07 0.00 0.00 57.00 59.99 3ibj n GLN 591 Cb 0.32 -3.78 0.00 0.00 2.41 0.00 0.00 30.24 29.20 3ibj n GLN 591 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3ibj s PRO 592 N -5.04 3.00 0.10 3.69 0.04 -1.26 -4.61 135.00 130.92 3ibj s PRO 592 Ca 0.00 -0.96 -0.21 0.00 0.04 0.00 0.00 61.00 59.87 3ibj s PRO 592 Cb 0.00 -2.74 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 3ibj s PRO 592 CO 0.00 -0.12 1.72 0.28 0.04 0.00 0.00 177.00 178.92 3ibj h VAL 593 N 0.69 1.07 -1.00 -0.36 2.07 -1.92 -2.99 116.25 113.81 3ibj h VAL 593 Ca -0.44 -0.17 0.39 0.00 0.82 0.00 0.00 66.70 67.29 3ibj h VAL 593 Cb 1.26 0.94 -0.18 0.00 -1.52 0.00 0.00 31.29 31.80 3ibj h VAL 593 CO 0.52 0.06 0.47 0.00 0.02 0.00 0.00 177.57 178.64 3ibj h ALA 594 N 1.01 2.01 -0.00 1.67 0.00 -1.93 1.75 119.26 123.76 3ibj h ALA 594 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ibj h ALA 594 Cb 0.03 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ibj h ALA 594 CO -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 179.25 178.36 3ibj n ALA 595 N -2.38 2.64 0.06 0.00 0.00 -1.13 -3.80 120.51 115.89 3ibj n ALA 595 Ca 0.35 -0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 3ibj n ALA 595 Cb 1.18 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 3ibj n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ibj h ILE 596 N 0.27 0.56 -2.28 0.00 1.08 0.26 -3.49 117.51 113.91 3ibj h ILE 596 Ca 0.00 -1.07 0.04 0.00 -0.39 0.00 0.00 64.86 63.43 3ibj h ILE 596 Cb 0.16 0.97 -0.17 0.00 -3.07 0.00 0.00 36.82 34.71 3ibj h ILE 596 CO 0.00 0.16 0.37 -0.62 -0.69 0.00 0.00 178.15 177.36 3ibj s ASP 597 N -5.41 -0.48 0.00 1.72 -1.08 -1.23 -5.04 116.67 105.15 3ibj s ASP 597 Ca -0.10 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.15 3ibj s ASP 597 Cb 0.00 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.92 3ibj s ASP 597 CO 0.35 -0.66 0.18 -1.54 0.52 0.00 0.00 175.17 174.02 3ibj n SER 598 N 0.13 0.00 -2.99 -0.34 3.41 -1.26 -3.31 113.62 109.25 3ibj n SER 598 Ca -0.13 0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.29 3ibj n SER 598 Cb 0.61 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 3ibj n SER 598 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ibj n ASN 599 N -0.28 7.28 0.09 4.04 3.02 -1.26 -4.50 115.26 123.66 3ibj n ASN 599 Ca 0.00 -3.59 0.06 0.00 -0.03 0.00 0.00 54.58 51.02 3ibj n ASN 599 Cb 0.00 -1.16 0.31 0.00 -0.61 0.00 0.00 39.78 38.32 3ibj n ASN 599 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3ibj n PHE 600 N 0.11 0.39 0.56 3.10 7.35 -1.21 -0.77 117.46 126.99 3ibj n PHE 600 Ca 0.52 0.20 0.06 0.00 -0.76 0.00 0.00 57.45 57.47 3ibj n PHE 600 Cb 0.32 -0.79 -0.03 0.00 0.35 0.00 0.00 39.48 39.33 3ibj n PHE 600 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ibj n ALA 601 N -1.62 3.19 -2.07 3.13 0.00 -1.26 -4.89 120.51 116.99 3ibj n ALA 601 Ca -0.01 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 3ibj n ALA 601 Cb 0.06 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 3ibj n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ibj s SER 602 N -1.78 7.40 0.00 0.00 0.15 0.05 -4.80 113.70 114.72 3ibj s SER 602 Ca 0.08 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.39 3ibj s SER 602 Cb 0.10 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3ibj s SER 602 CO 0.38 0.14 0.43 0.49 1.20 0.00 0.00 173.24 175.88 3ibj n PHE 603 N 1.94 0.00 0.60 3.44 3.72 -1.26 0.16 117.46 126.06 3ibj n PHE 603 Ca -0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.47 3ibj n PHE 603 Cb 0.49 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 39.16 3ibj n PHE 603 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ibj n THR 604 N -0.93 0.23 -2.16 4.37 -2.24 -1.26 -4.88 114.28 107.41 3ibj n THR 604 Ca 0.00 -0.62 -0.39 0.00 -2.27 0.00 0.00 64.05 60.77 3ibj n THR 604 Cb 0.42 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.86 3ibj n THR 604 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ibj s TYR 605 N -1.59 2.94 -0.61 4.78 5.04 0.42 -4.93 117.35 123.41 3ibj s TYR 605 Ca 0.29 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 3ibj s TYR 605 Cb 0.19 -3.56 0.15 0.00 0.35 0.00 0.00 41.96 39.10 3ibj s TYR 605 CO 0.27 -1.75 0.40 0.95 -1.34 0.00 0.00 175.55 174.08 3ibj s THR 606 N -1.31 3.31 0.30 4.34 -4.23 -1.26 -4.94 115.64 111.84 3ibj s THR 606 Ca 0.56 -3.22 0.02 0.00 -1.18 0.00 0.00 61.69 57.87 3ibj s THR 606 Cb -0.35 -3.19 0.36 0.00 1.34 0.00 0.00 72.50 70.66 3ibj s THR 606 CO 0.45 -0.87 1.60 -0.65 -0.54 0.00 0.00 174.62 174.62 3ibj h PRO 607 N 6.69 0.08 0.00 3.99 0.10 -1.95 1.15 132.00 142.06 3ibj h PRO 607 Ca -0.02 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.07 3ibj h PRO 607 Cb 0.91 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 31.99 3ibj h PRO 607 CO 0.71 0.05 0.28 0.00 0.10 0.00 0.00 178.00 179.14 3ibj h ARG 608 N 0.08 0.00 -0.51 1.05 3.08 -1.92 -2.39 114.38 113.77 3ibj h ARG 608 Ca 0.57 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.61 3ibj h ARG 608 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3ibj h ARG 608 CO -0.79 0.00 0.28 0.66 -1.07 0.00 0.00 179.97 179.05 3ibj h SER 609 N 0.00 0.64 -3.61 7.04 4.64 0.96 -3.45 113.55 119.77 3ibj h SER 609 Ca 0.00 -0.09 -0.48 0.00 -0.47 0.00 0.00 61.79 60.74 3ibj h SER 609 Cb 0.56 -0.16 0.21 0.00 -0.31 0.00 0.00 62.40 62.69 3ibj h SER 609 CO 0.00 0.55 -0.05 0.18 -0.87 0.00 0.00 176.83 176.64 3ibj n LEU 610 N -4.64 0.60 -4.77 5.97 4.32 -0.90 -5.02 117.00 112.55 3ibj n LEU 610 Ca 0.02 0.13 -0.38 0.00 -0.02 0.00 0.00 56.01 55.77 3ibj n LEU 610 Cb 0.08 -1.32 -0.02 0.00 -1.62 0.00 0.00 43.42 40.54 3ibj n LEU 610 CO 0.36 -2.84 0.81 -2.84 -1.22 0.00 0.00 177.39 171.66 3ibj s PRO 611 N -4.35 4.04 0.38 3.23 0.02 -1.26 -5.00 135.00 132.05 3ibj s PRO 611 Ca 0.66 1.74 0.18 0.00 0.02 0.00 0.00 61.00 63.59 3ibj s PRO 611 Cb -0.23 -2.60 0.74 0.00 0.02 0.00 0.00 34.50 32.43 3ibj s PRO 611 CO 0.62 -0.31 1.78 1.49 -0.33 0.00 0.00 177.00 180.26 3ibj h GLU 612 N 2.51 0.00 0.00 5.54 4.57 -1.97 -2.72 114.58 122.52 3ibj h GLU 612 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3ibj h GLU 612 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3ibj h GLU 612 CO 0.62 0.37 -0.46 -0.44 -1.18 0.00 0.00 179.01 177.93 3ibj h ASP 613 N 0.00 0.00 0.29 1.04 3.32 -2.05 -3.29 116.42 115.73 3ibj h ASP 613 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ibj h ASP 613 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3ibj h ASP 613 CO 0.05 0.02 -0.29 0.47 -1.72 0.00 0.00 179.24 177.76 3ibj n ASP 614 N -2.72 0.92 0.03 6.45 8.00 -1.03 -4.33 116.55 123.85 3ibj n ASP 614 Ca 0.03 -0.77 -0.13 0.00 0.71 0.00 0.00 54.79 54.63 3ibj n ASP 614 Cb 0.51 0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.67 3ibj n ASP 614 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ibj h THR 615 N 0.98 1.18 -0.94 -3.53 1.35 -1.60 -2.96 112.91 107.40 3ibj h THR 615 Ca 0.00 -1.01 0.12 0.00 -0.55 0.00 0.00 66.41 64.97 3ibj h THR 615 Cb 0.50 1.82 -0.08 0.00 -1.73 0.00 0.00 68.15 68.67 3ibj h THR 615 CO 0.00 0.25 0.60 0.28 -0.25 0.00 0.00 175.52 176.39 3ibj h SER 616 N -0.57 0.80 0.84 5.36 0.02 -1.80 -1.28 113.55 116.91 3ibj h SER 616 Ca -0.01 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3ibj h SER 616 Cb 0.48 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3ibj h SER 616 CO 0.02 0.43 -0.46 -0.03 -1.14 0.00 0.00 176.83 175.64 3ibj h MET 617 N 0.86 -1.15 -0.87 3.45 -1.53 -1.80 -2.44 114.93 111.44 3ibj h MET 617 Ca 0.46 0.08 0.15 0.00 -3.44 0.00 0.00 59.70 56.95 3ibj h MET 617 Cb 0.56 0.26 -0.15 0.00 -0.55 0.00 0.00 31.60 31.72 3ibj h MET 617 CO -0.22 -0.77 -0.29 0.00 0.14 0.00 0.00 176.91 175.77 3ibj n ALA 618 N -2.67 0.02 -0.08 0.39 0.00 -0.72 0.52 120.51 117.97 3ibj n ALA 618 Ca -0.15 0.91 -0.10 0.00 0.00 0.00 0.00 53.44 54.10 3ibj n ALA 618 Cb 0.49 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 3ibj n ALA 618 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ibj h ILE 619 N 0.00 0.00 -0.85 0.00 1.08 -1.06 1.27 117.51 117.94 3ibj h ILE 619 Ca 0.35 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 65.03 3ibj h ILE 619 Cb 0.57 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.19 3ibj h ILE 619 CO -0.88 0.00 0.27 -0.07 -0.69 0.00 0.00 178.15 176.78 3ibj h LEU 620 N -0.29 0.10 -1.05 1.44 3.38 0.56 0.48 115.31 119.93 3ibj h LEU 620 Ca 0.05 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3ibj h LEU 620 Cb 0.42 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3ibj h LEU 620 CO -0.39 -0.08 -0.19 0.28 0.09 0.00 0.00 178.44 178.14 3ibj h SER 621 N 0.28 0.00 0.38 -0.43 0.02 0.24 -1.70 113.55 112.35 3ibj h SER 621 Ca 0.52 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.16 3ibj h SER 621 Cb 1.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3ibj h SER 621 CO -0.59 0.19 -1.60 0.24 -1.14 0.00 0.00 176.83 173.94 3ibj h MET 622 N 0.00 0.28 -0.02 3.45 2.86 0.61 -2.52 114.93 119.59 3ibj h MET 622 Ca -0.00 -0.48 -0.15 0.00 -2.06 0.00 0.00 59.70 57.01 3ibj h MET 622 Cb 0.76 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3ibj h MET 622 CO 0.02 1.15 -0.68 -0.07 1.06 0.00 0.00 176.91 178.39 3ibj h LEU 623 N 0.08 0.14 0.64 1.22 3.38 -0.93 -2.47 115.31 117.37 3ibj h LEU 623 Ca -0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3ibj h LEU 623 Cb 2.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 3ibj h LEU 623 CO 0.16 0.78 -0.38 -0.61 0.09 0.00 0.00 178.44 178.48 3ibj h GLN 624 N 0.08 -0.91 0.00 1.13 4.15 -1.35 -1.45 115.11 116.76 3ibj h GLN 624 Ca -0.01 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3ibj h GLN 624 Cb 1.22 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 29.11 3ibj h GLN 624 CO 0.10 -0.61 -0.03 0.22 -1.93 0.00 0.00 178.83 176.58 3ibj h ASP 625 N -0.95 0.00 0.29 -0.69 -0.00 -1.43 0.23 116.42 113.87 3ibj h ASP 625 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 3ibj h ASP 625 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.09 3ibj h ASP 625 CO 0.09 0.03 -0.08 0.23 -0.00 0.00 0.00 179.24 179.51 3ibj n MET 626 N -3.52 0.80 -2.64 0.28 2.81 -0.93 -4.94 117.12 108.97 3ibj n MET 626 Ca -0.02 -0.26 -0.04 0.00 -1.81 0.00 0.00 57.70 55.57 3ibj n MET 626 Cb 0.14 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.17 3ibj n MET 626 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3ibj n ASN 627 N -0.87 -5.74 -0.02 7.83 5.15 0.79 -5.01 115.26 117.39 3ibj n ASN 627 Ca 0.16 -0.22 -0.02 0.00 -0.60 0.00 0.00 54.58 53.90 3ibj n ASN 627 Cb 0.26 -3.92 -0.02 0.00 -0.53 0.00 0.00 39.78 35.58 3ibj n ASN 627 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3ibj n PHE 628 N -1.98 0.00 0.26 1.20 0.99 -0.57 -4.26 117.46 113.10 3ibj n PHE 628 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.26 3ibj n PHE 628 Cb 0.53 -0.13 -0.09 0.00 -1.00 0.00 0.00 39.48 38.79 3ibj n PHE 628 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3ibj h ILE 629 N 0.00 0.06 0.04 4.37 2.04 -1.85 -2.22 117.51 119.95 3ibj h ILE 629 Ca -0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3ibj h ILE 629 Cb 1.13 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3ibj h ILE 629 CO -0.01 0.00 -0.02 -0.55 0.00 0.00 0.00 178.15 177.58 3ibj h ASN 630 N -0.92 -0.04 -1.22 1.72 -0.00 -1.89 0.85 115.58 114.08 3ibj h ASN 630 Ca -0.04 -0.61 0.35 0.00 -0.00 0.00 0.00 56.30 55.99 3ibj h ASN 630 Cb 0.82 0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 39.11 3ibj h ASN 630 CO -0.10 0.63 1.06 0.78 -0.00 0.00 0.00 177.43 179.80 3ibj h ASN 631 N -0.76 0.00 0.00 6.14 4.21 -1.74 0.54 115.58 123.97 3ibj h ASN 631 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3ibj h ASN 631 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 3ibj h ASN 631 CO 0.01 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.93 3ibj n TYR 632 N -3.73 0.00 -3.60 1.19 4.02 -0.84 -5.03 117.16 109.18 3ibj n TYR 632 Ca 0.27 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.90 57.90 3ibj n TYR 632 Cb 1.44 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.80 3ibj n TYR 632 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3ibj n LYS 633 N -0.03 -3.43 -2.52 -0.72 5.02 0.19 -4.91 118.16 111.76 3ibj n LYS 633 Ca 0.00 0.63 -0.43 0.00 -2.02 0.00 0.00 58.31 56.49 3ibj n LYS 633 Cb 0.04 -5.04 -0.02 0.00 -0.02 0.00 0.00 35.03 29.98 3ibj n LYS 633 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ibj s ILE 634 N -3.55 4.42 0.29 -0.18 1.09 0.25 -4.98 121.20 118.53 3ibj s ILE 634 Ca 0.22 1.72 -0.30 0.00 -1.10 0.00 0.00 60.65 61.19 3ibj s ILE 634 Cb -0.06 -4.11 -0.11 0.00 -1.06 0.00 0.00 42.46 37.13 3ibj s ILE 634 CO 0.81 -0.08 1.52 -0.62 -0.10 0.00 0.00 174.94 176.47 3ibj s ASP 635 N 1.54 6.47 0.06 3.58 2.15 -1.26 -4.87 116.67 124.34 3ibj s ASP 635 Ca 0.52 2.86 -0.10 0.00 0.43 0.00 0.00 52.55 56.27 3ibj s ASP 635 Cb -0.21 -2.64 -0.30 0.00 -0.30 0.00 0.00 42.92 39.48 3ibj s ASP 635 CO 0.16 -0.83 1.10 0.00 -0.17 0.00 0.00 175.17 175.43 3ibj h PRO 637 N 0.14 0.00 0.00 0.00 0.11 -1.96 0.82 132.00 131.12 3ibj h PRO 637 Ca -0.18 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.86 3ibj h PRO 637 Cb 2.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.11 3ibj h PRO 637 CO 0.23 0.03 -0.40 1.15 -0.21 0.00 0.00 178.00 178.80 3ibj h THR 638 N 0.00 1.31 -0.19 -1.15 2.02 -1.71 -3.21 112.91 109.97 3ibj h THR 638 Ca -0.00 -2.13 0.02 0.00 0.77 0.00 0.00 66.41 65.07 3ibj h THR 638 Cb 0.08 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 3ibj h THR 638 CO 0.00 0.44 0.07 0.25 0.37 0.00 0.00 175.52 176.66 3ibj h LEU 639 N -1.00 0.08 -1.87 2.58 5.85 -0.52 -0.22 115.31 120.21 3ibj h LEU 639 Ca -0.11 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3ibj h LEU 639 Cb 0.99 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 3ibj h LEU 639 CO -0.06 0.08 -0.13 0.00 -0.34 0.00 0.00 178.44 177.98 3ibj h ALA 640 N 1.12 1.52 -0.13 1.25 0.00 0.47 -1.28 119.26 122.20 3ibj h ALA 640 Ca 0.08 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3ibj h ALA 640 Cb 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ibj h ALA 640 CO -0.08 0.16 -0.60 0.00 0.00 0.00 0.00 179.25 178.73 3ibj h ARG 641 N 0.00 0.64 0.47 0.00 3.08 -1.35 -2.88 114.38 114.34 3ibj h ARG 641 Ca -0.00 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3ibj h ARG 641 Cb 0.28 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3ibj h ARG 641 CO 0.02 1.13 -0.44 0.35 -1.07 0.00 0.00 179.97 179.96 3ibj h PHE 642 N 0.29 -1.21 -1.07 3.04 3.57 -0.45 -1.63 116.94 119.48 3ibj h PHE 642 Ca -0.04 0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.76 3ibj h PHE 642 Cb 1.23 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 40.37 3ibj h PHE 642 CO 0.10 -0.59 0.73 0.00 -2.23 0.00 0.00 178.31 176.32 3ibj h LEU 644 N 0.21 0.00 0.06 0.00 4.07 -1.26 -3.05 115.31 115.34 3ibj h LEU 644 Ca 0.56 -0.15 -0.35 0.00 0.08 0.00 0.00 57.88 58.03 3ibj h LEU 644 Cb 1.80 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.50 3ibj h LEU 644 CO -0.16 0.07 -2.03 0.80 -1.08 0.00 0.00 178.44 176.04 3ibj n MET 645 N -2.20 0.70 0.21 1.13 1.56 0.10 -2.11 117.12 116.51 3ibj n MET 645 Ca 0.04 0.23 0.15 0.00 -0.27 0.00 0.00 57.70 57.84 3ibj n MET 645 Cb 0.44 -1.69 0.56 0.00 2.15 0.00 0.00 33.22 34.69 3ibj n MET 645 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 3ibj h VAL 646 N 0.04 0.00 0.00 1.12 3.04 -0.90 -0.37 116.25 119.17 3ibj h VAL 646 Ca -0.42 -0.42 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 3ibj h VAL 646 Cb 2.03 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 32.61 3ibj h VAL 646 CO 0.05 0.00 -0.48 0.50 -1.01 0.00 0.00 177.57 176.63 3ibj h LYS 647 N 0.00 0.00 0.00 4.17 3.64 -1.61 -3.20 116.57 119.57 3ibj h LYS 647 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ibj h LYS 647 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ibj h LYS 647 CO 0.00 0.52 0.12 -0.22 -2.27 0.00 0.00 179.45 177.60 3ibj h LYS 648 N -1.00 0.00 0.00 1.90 3.64 -1.43 -0.89 116.57 118.79 3ibj h LYS 648 Ca -0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3ibj h LYS 648 Cb 0.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3ibj h LYS 648 CO -0.06 0.00 -0.08 0.78 -2.27 0.00 0.00 179.45 177.82 3ibj h GLY 649 N 0.00 0.00 -0.72 5.01 0.00 -1.06 -3.45 103.07 102.85 3ibj h GLY 649 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3ibj h GLY 649 CO 0.00 0.00 0.41 -0.19 0.00 0.00 0.00 176.54 176.76 3ibj s TYR 650 N -3.62 3.02 0.00 5.60 1.51 -0.34 -1.10 117.35 122.42 3ibj s TYR 650 Ca 0.01 0.82 0.00 0.00 -1.01 0.00 0.00 57.07 56.90 3ibj s TYR 650 Cb 0.09 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 3ibj s TYR 650 CO 0.59 -1.66 0.00 0.54 -1.11 0.00 0.00 175.55 173.91 3ibj n ARG 651 N -3.26 3.71 -2.52 -0.62 1.74 -1.26 -4.75 116.66 109.69 3ibj n ARG 651 Ca 0.08 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 3ibj n ARG 651 Cb 0.60 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.06 3ibj n ARG 651 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ibj n ASP 652 N 0.00 3.37 -4.46 0.55 -0.08 -1.26 -4.53 116.55 110.14 3ibj n ASP 652 Ca 0.00 -3.25 -0.28 0.00 -1.51 0.00 0.00 54.79 49.75 3ibj n ASP 652 Cb 0.00 -0.47 0.14 0.00 2.34 0.00 0.00 41.12 43.13 3ibj n ASP 652 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3ibj s PRO 653 N -3.42 1.24 0.09 -0.67 0.04 -1.26 -4.95 135.00 126.06 3ibj s PRO 653 Ca 0.39 -0.40 -0.35 0.00 0.04 0.00 0.00 61.00 60.68 3ibj s PRO 653 Cb 0.42 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.81 3ibj s PRO 653 CO -0.08 -1.97 1.57 -1.35 0.04 0.00 0.00 177.00 175.22 3ibj h PRO 654 N -1.23 -0.94 0.08 0.56 0.11 -1.95 -3.38 132.00 125.26 3ibj h PRO 654 Ca -0.43 0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.37 3ibj h PRO 654 Cb 1.27 0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.56 3ibj h PRO 654 CO 0.46 -0.62 -2.11 0.98 -0.21 0.00 0.00 178.00 176.50 3ibj n TYR 655 N -5.55 0.90 -1.92 0.65 9.36 -1.25 -4.66 117.16 114.68 3ibj n TYR 655 Ca -0.12 0.20 -0.40 0.00 3.32 0.00 0.00 57.90 60.90 3ibj n TYR 655 Cb 0.45 -1.12 -0.01 0.00 -0.63 0.00 0.00 39.34 38.03 3ibj n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3ibj n HIS 656 N -3.38 2.63 -4.31 2.98 8.25 -1.26 -4.54 115.22 115.60 3ibj n HIS 656 Ca -0.34 -2.86 -0.26 0.00 -0.26 0.00 0.00 57.72 53.99 3ibj n HIS 656 Cb 1.04 -1.97 -0.09 0.00 1.12 0.00 0.00 29.99 30.10 3ibj n HIS 656 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ibj s ASN 657 N 0.76 4.23 0.43 0.41 4.22 -1.26 -4.27 114.94 119.45 3ibj s ASN 657 Ca 0.55 -1.17 0.18 0.00 -2.14 0.00 0.00 52.86 50.28 3ibj s ASN 657 Cb 0.17 -0.46 1.10 0.00 1.28 0.00 0.00 41.25 43.34 3ibj s ASN 657 CO -0.08 -0.49 1.86 -0.25 -2.04 0.00 0.00 177.10 176.11 3ibj h TRP 658 N 1.57 0.51 -0.80 1.54 2.91 -1.90 0.90 115.95 120.67 3ibj h TRP 658 Ca -0.43 0.02 0.03 0.00 1.13 0.00 0.00 58.89 59.63 3ibj h TRP 658 Cb 1.25 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.70 3ibj h TRP 658 CO 0.67 0.14 0.53 1.98 -1.03 0.00 0.00 178.44 180.73 3ibj h MET 659 N 0.39 0.99 -0.47 2.65 4.05 -1.95 0.17 114.93 120.75 3ibj h MET 659 Ca 0.46 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.76 3ibj h MET 659 Cb 1.16 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 3ibj h MET 659 CO -0.16 0.65 0.06 1.25 0.23 0.00 0.00 176.91 178.94 3ibj h HIS 660 N 1.02 0.85 0.16 1.39 -0.00 -1.07 -1.65 115.15 115.85 3ibj h HIS 660 Ca 0.31 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3ibj h HIS 660 Cb -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.17 3ibj h HIS 660 CO -0.00 0.79 -0.08 0.00 -0.00 0.00 0.00 177.93 178.65 3ibj h ALA 661 N 0.95 -0.22 0.32 5.26 0.00 -0.78 0.63 119.26 125.42 3ibj h ALA 661 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ibj h ALA 661 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ibj h ALA 661 CO 0.01 -0.59 -0.25 0.35 0.00 0.00 0.00 179.25 178.77 3ibj h PHE 662 N -0.28 -0.65 -0.71 0.00 3.57 -0.64 0.15 116.94 118.38 3ibj h PHE 662 Ca -0.02 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.64 3ibj h PHE 662 Cb 0.21 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3ibj h PHE 662 CO -0.05 -0.37 0.49 0.77 -2.23 0.00 0.00 178.31 176.92 3ibj h SER 663 N -0.57 0.27 0.58 0.41 0.02 -1.27 0.45 113.55 113.44 3ibj h SER 663 Ca -0.02 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3ibj h SER 663 Cb 0.50 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3ibj h SER 663 CO -0.01 0.14 -0.81 0.58 -1.14 0.00 0.00 176.83 175.59 3ibj h VAL 664 N 0.29 1.49 -0.02 2.27 2.07 0.59 -1.55 116.25 121.38 3ibj h VAL 664 Ca 0.35 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 65.33 3ibj h VAL 664 Cb 0.95 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3ibj h VAL 664 CO -0.09 0.73 -0.08 0.28 0.02 0.00 0.00 177.57 178.44 3ibj h SER 665 N 0.10 0.11 -0.52 0.57 0.02 0.13 -2.94 113.55 111.02 3ibj h SER 665 Ca -0.03 -0.62 0.10 0.00 -0.84 0.00 0.00 61.79 60.40 3ibj h SER 665 Cb 1.41 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.82 3ibj h SER 665 CO 0.12 0.71 -0.15 -0.74 -1.14 0.00 0.00 176.83 175.63 3ibj h HIS 666 N -0.49 -0.34 -0.41 3.45 6.17 -0.20 0.72 115.15 124.05 3ibj h HIS 666 Ca -0.00 0.05 0.10 0.00 0.71 0.00 0.00 60.37 61.23 3ibj h HIS 666 Cb 0.70 0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.84 3ibj h HIS 666 CO 0.14 -0.25 0.29 0.35 0.71 0.00 0.00 177.93 179.17 3ibj h PHE 667 N -0.03 0.11 0.86 5.26 3.57 -1.24 0.14 116.94 125.61 3ibj h PHE 667 Ca 0.25 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3ibj h PHE 667 Cb 0.41 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.12 3ibj h PHE 667 CO -0.46 0.05 -0.42 0.00 -2.23 0.00 0.00 178.31 175.26 3ibj h TYR 669 N -1.30 -1.23 0.01 0.00 3.20 0.73 0.21 116.97 118.59 3ibj h TYR 669 Ca -0.12 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ibj h TYR 669 Cb 0.89 0.68 -0.01 0.00 1.54 0.00 0.00 36.73 39.83 3ibj h TYR 669 CO 0.00 -0.40 -0.15 -0.07 -1.64 0.00 0.00 178.16 175.91 3ibj h LEU 670 N -0.00 -0.45 -0.76 2.82 3.38 -0.81 -1.78 115.31 117.72 3ibj h LEU 670 Ca 0.31 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.57 3ibj h LEU 670 Cb 0.57 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.34 3ibj h LEU 670 CO -0.98 -0.15 0.12 0.18 0.09 0.00 0.00 178.44 177.71 3ibj n LEU 671 N -3.29 0.01 0.04 1.67 4.77 -0.11 0.12 117.00 120.20 3ibj n LEU 671 Ca -0.02 1.28 -0.11 0.00 -0.03 0.00 0.00 56.01 57.13 3ibj n LEU 671 Cb 0.11 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 3ibj n LEU 671 CO 0.04 -1.33 0.82 0.22 -1.33 0.00 0.00 177.39 175.80 3ibj h TYR 672 N 0.00 -0.18 0.00 -1.77 3.20 -0.20 -1.04 116.97 116.98 3ibj h TYR 672 Ca 0.51 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.39 3ibj h TYR 672 Cb 1.15 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3ibj h TYR 672 CO -0.28 -0.11 0.00 1.63 -1.64 0.00 0.00 178.16 177.75 3ibj n LYS 673 N -5.20 0.00 -0.32 1.82 4.76 0.33 -0.35 118.16 119.19 3ibj n LYS 673 Ca -0.05 0.00 0.30 0.00 -2.87 0.00 0.00 58.31 55.69 3ibj n LYS 673 Cb 0.12 -0.69 0.54 0.00 -1.84 0.00 0.00 35.03 33.17 3ibj n LYS 673 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ibj n ASN 674 N -0.25 0.27 -0.00 4.39 3.02 -0.66 0.27 115.26 122.31 3ibj n ASN 674 Ca 0.00 1.38 0.10 0.00 -0.03 0.00 0.00 54.58 56.03 3ibj n ASN 674 Cb 0.00 -0.68 -0.12 0.00 -0.61 0.00 0.00 39.78 38.38 3ibj n ASN 674 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ibj n LEU 675 N -4.82 0.93 -3.37 3.41 4.77 -0.40 -4.93 117.00 112.59 3ibj n LEU 675 Ca 0.34 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3ibj n LEU 675 Cb 1.21 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.32 3ibj n LEU 675 CO 0.06 0.23 0.10 -0.62 -1.33 0.00 0.00 177.39 175.83 3ibj n GLU 676 N -1.50 -1.43 0.22 3.23 1.02 0.14 -4.86 120.64 117.46 3ibj n GLU 676 Ca 0.04 1.09 0.15 0.00 -0.02 0.00 0.00 57.16 58.42 3ibj n GLU 676 Cb 0.32 -4.55 0.77 0.00 -0.02 0.00 0.00 31.44 27.96 3ibj n GLU 676 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ibj h LEU 677 N -0.21 0.00 -1.68 -4.62 3.38 -1.55 -2.92 115.31 107.71 3ibj h LEU 677 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3ibj h LEU 677 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ibj h LEU 677 CO 0.36 0.00 0.15 0.74 0.09 0.00 0.00 178.44 179.78 3ibj h THR 678 N 0.00 0.00 0.00 0.22 2.02 -1.83 -0.68 112.91 112.64 3ibj h THR 678 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3ibj h THR 678 Cb 0.11 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3ibj h THR 678 CO 0.00 0.00 -1.07 0.78 0.37 0.00 0.00 175.52 175.60 3ibj h ASN 679 N 0.00 0.00 0.00 4.18 2.35 -1.87 -3.41 115.58 116.83 3ibj h ASN 679 Ca 0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 3ibj h ASN 679 Cb 0.31 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 3ibj h ASN 679 CO 0.00 0.21 -2.21 -1.22 -1.65 0.00 0.00 177.43 172.56 3ibj n TYR 680 N -2.79 0.00 -4.38 1.19 4.02 -0.33 -5.00 117.16 109.86 3ibj n TYR 680 Ca -0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.62 3ibj n TYR 680 Cb 0.65 -0.81 -0.09 0.00 -0.02 0.00 0.00 39.34 39.07 3ibj n TYR 680 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ibj s LEU 681 N -6.29 2.91 0.33 7.72 1.43 -0.76 -4.82 118.68 119.19 3ibj s LEU 681 Ca -0.29 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 51.58 3ibj s LEU 681 Cb 0.08 -1.31 -0.10 0.00 0.03 0.00 0.00 46.19 44.89 3ibj s LEU 681 CO 0.48 -0.14 0.99 -1.61 0.23 0.00 0.00 176.35 176.30 3ibj s GLU 682 N -3.66 4.52 0.53 1.70 2.02 -1.26 -4.61 118.70 117.94 3ibj s GLU 682 Ca 0.33 1.45 0.32 0.00 0.02 0.00 0.00 54.97 57.09 3ibj s GLU 682 Cb -0.02 -2.84 1.48 0.00 0.10 0.00 0.00 34.13 32.85 3ibj s GLU 682 CO 0.18 0.19 1.85 -0.44 0.02 0.00 0.00 175.26 177.07 3ibj h ASP 683 N 3.19 0.04 -0.02 -0.19 3.32 -1.96 0.38 116.42 121.18 3ibj h ASP 683 Ca -0.47 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 3ibj h ASP 683 Cb 1.20 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3ibj h ASP 683 CO 0.65 0.01 -0.30 -0.29 -1.72 0.00 0.00 179.24 177.59 3ibj h ILE 684 N 0.03 1.28 0.46 0.35 2.10 -1.99 -2.43 117.51 117.31 3ibj h ILE 684 Ca 0.48 -1.36 -0.02 0.00 1.08 0.00 0.00 64.86 65.04 3ibj h ILE 684 Cb 1.88 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 39.04 3ibj h ILE 684 CO -0.03 0.43 -0.22 -0.33 -1.08 0.00 0.00 178.15 176.92 3ibj h GLU 685 N 0.41 -0.59 0.00 2.19 5.08 -1.30 0.39 114.58 120.76 3ibj h GLU 685 Ca 0.05 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ibj h GLU 685 Cb 0.74 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3ibj h GLU 685 CO 0.06 -0.30 0.28 0.82 -1.00 0.00 0.00 179.01 178.87 3ibj h ILE 686 N -0.87 0.00 0.14 3.13 2.04 -1.49 0.60 117.51 121.06 3ibj h ILE 686 Ca -0.06 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.47 3ibj h ILE 686 Cb 0.57 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3ibj h ILE 686 CO 0.10 0.00 -1.68 0.15 0.00 0.00 0.00 178.15 176.73 3ibj h PHE 687 N 0.00 0.54 -0.31 1.37 -0.00 -0.85 -2.99 116.94 114.70 3ibj h PHE 687 Ca 0.00 -0.40 -0.13 0.00 -0.00 0.00 0.00 57.97 57.44 3ibj h PHE 687 Cb 0.55 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 36.47 3ibj h PHE 687 CO 0.00 1.66 -0.35 0.00 -0.00 0.00 0.00 178.31 179.62 3ibj h ALA 688 N 0.02 0.80 0.25 2.41 0.00 0.17 -1.64 119.26 121.27 3ibj h ALA 688 Ca -0.35 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 3ibj h ALA 688 Cb 1.94 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3ibj h ALA 688 CO 0.10 0.65 -0.15 1.25 0.00 0.00 0.00 179.25 181.09 3ibj h LEU 689 N 0.58 -0.38 -0.36 0.00 5.85 -0.14 0.17 115.31 121.02 3ibj h LEU 689 Ca 0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3ibj h LEU 689 Cb 0.87 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3ibj h LEU 689 CO 0.08 -0.25 0.21 0.15 -0.34 0.00 0.00 178.44 178.29 3ibj h PHE 690 N -0.39 0.39 -0.52 1.25 3.57 -1.45 0.45 116.94 120.24 3ibj h PHE 690 Ca -0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3ibj h PHE 690 Cb 0.32 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3ibj h PHE 690 CO -0.09 0.23 0.22 0.82 -2.23 0.00 0.00 178.31 177.26 3ibj h ILE 691 N 0.43 1.19 -0.34 1.41 1.08 -0.86 -0.70 117.51 119.72 3ibj h ILE 691 Ca 0.15 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 64.00 3ibj h ILE 691 Cb 0.01 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 3ibj h ILE 691 CO -0.07 0.23 0.04 0.28 -0.69 0.00 0.00 178.15 177.94 3ibj h SER 692 N 0.74 0.55 -0.68 1.72 0.02 -0.31 -2.11 113.55 113.49 3ibj h SER 692 Ca 0.18 -0.27 0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3ibj h SER 692 Cb 0.13 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3ibj h SER 692 CO -0.02 0.68 0.45 0.00 -1.14 0.00 0.00 176.83 176.80 3ibj h MET 694 N 0.45 0.00 0.00 0.00 2.07 -0.54 -3.36 114.93 113.55 3ibj h MET 694 Ca 0.32 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.95 3ibj h MET 694 Cb 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.37 3ibj h MET 694 CO -0.10 0.42 -0.35 0.00 1.07 0.00 0.00 176.91 177.95 3ibj n HIS 696 N -1.18 0.00 -2.11 0.00 1.44 0.34 -0.19 115.22 113.51 3ibj n HIS 696 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.50 3ibj n HIS 696 Cb 0.04 -0.34 0.02 0.00 0.12 0.00 0.00 29.99 29.83 3ibj n HIS 696 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3ibj n ASP 697 N -3.41 4.58 -4.77 4.39 8.00 -1.26 -4.73 116.55 119.35 3ibj n ASP 697 Ca 0.31 -3.57 -0.39 0.00 0.71 0.00 0.00 54.79 51.85 3ibj n ASP 697 Cb 1.63 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 42.36 3ibj n ASP 697 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ibj s LEU 698 N -3.62 4.24 -1.46 0.64 1.43 0.73 -2.86 118.68 117.78 3ibj s LEU 698 Ca 0.48 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 56.08 3ibj s LEU 698 Cb 0.40 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3ibj s LEU 698 CO 0.03 -0.70 0.00 -0.67 0.23 0.00 0.00 176.35 175.24 3ibj n ASP 699 N 0.23 -4.23 -4.75 2.29 2.03 -0.25 -4.60 116.55 107.27 3ibj n ASP 699 Ca 0.03 0.26 -0.31 0.00 0.52 0.00 0.00 54.79 55.30 3ibj n ASP 699 Cb 0.45 -3.73 0.11 0.00 -0.72 0.00 0.00 41.12 37.23 3ibj n ASP 699 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3ibj s HIS 700 N -2.49 2.36 0.00 -0.67 2.46 -1.14 -4.89 115.29 110.93 3ibj s HIS 700 Ca 0.00 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.14 3ibj s HIS 700 Cb 0.00 -3.12 0.00 0.00 -0.13 0.00 0.00 32.58 29.33 3ibj s HIS 700 CO 0.00 -2.03 0.00 0.54 -2.47 0.00 0.00 174.74 170.78 3ibj n ARG 701 N -3.67 2.40 -3.32 2.88 5.12 -1.26 -4.26 116.66 114.56 3ibj n ARG 701 Ca 0.10 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.62 3ibj n ARG 701 Cb 0.53 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.74 3ibj n ARG 701 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3ibj s GLY 702 N -0.61 1.86 0.49 -0.13 0.00 -1.26 -4.82 107.32 102.84 3ibj s GLY 702 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 43.69 3ibj s GLY 702 CO 0.00 1.12 0.96 -1.59 0.00 0.00 0.00 173.10 173.59 3ibj s THR 703 N 2.21 4.54 0.00 0.90 2.01 -1.26 -4.82 115.64 119.21 3ibj s THR 703 Ca 0.17 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.37 3ibj s THR 703 Cb -0.16 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3ibj s THR 703 CO 0.11 -0.62 0.00 -0.46 -0.69 0.00 0.00 174.62 172.96 3ibj n ASN 704 N -1.41 0.00 -1.61 3.53 6.94 -1.26 -3.67 115.26 117.78 3ibj n ASN 704 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 3ibj n ASN 704 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 3ibj n ASN 704 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ibj n ASN 705 N 0.00 -4.35 0.00 0.53 3.02 -1.26 -4.48 115.26 108.72 3ibj n ASN 705 Ca 0.00 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 3ibj n ASN 705 Cb 0.00 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 3ibj n ASN 705 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3ibj n SER 706 N 0.18 0.00 -1.30 6.41 2.88 -1.26 -4.66 113.62 115.86 3ibj n SER 706 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ibj n SER 706 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ibj n SER 706 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3ibj n PHE 707 N 0.00 -2.89 0.38 0.66 3.01 -1.26 -4.58 117.46 112.78 3ibj n PHE 707 Ca 0.00 1.66 0.04 0.00 1.01 0.00 0.00 57.45 60.17 3ibj n PHE 707 Cb 0.00 -2.92 0.21 0.00 -0.01 0.00 0.00 39.48 36.76 3ibj n PHE 707 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3ibj n GLN 708 N 0.77 0.08 0.00 -1.08 -0.06 -1.18 -4.57 117.38 111.34 3ibj n GLN 708 Ca 0.00 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.26 3ibj n GLN 708 Cb 0.00 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 3ibj n GLN 708 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3ibj n VAL 709 N -1.37 0.00 0.00 1.69 0.31 -1.23 -4.77 118.33 112.96 3ibj n VAL 709 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3ibj n VAL 709 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 3ibj n VAL 709 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibj n ALA 710 N -0.90 0.00 -0.01 3.52 0.00 -1.26 -4.81 120.51 117.05 3ibj n ALA 710 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ibj n ALA 710 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3ibj n ALA 710 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ibj n SER 711 N 0.00 3.87 -3.32 0.00 7.64 -1.26 -4.60 113.62 115.95 3ibj n SER 711 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 3ibj n SER 711 Cb 0.00 0.92 0.03 0.00 -1.01 0.00 0.00 64.21 64.14 3ibj n SER 711 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ibj n LYS 712 N -1.92 4.28 -3.81 1.43 4.76 -1.26 -4.93 118.16 116.70 3ibj n LYS 712 Ca -0.04 -4.18 -0.10 0.00 -2.87 0.00 0.00 58.31 51.11 3ibj n LYS 712 Cb 0.39 -2.38 -0.07 0.00 -1.84 0.00 0.00 35.03 31.13 3ibj n LYS 712 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ibj s SER 713 N -1.26 0.00 -0.06 4.39 1.04 -1.26 -3.09 113.70 113.46 3ibj s SER 713 Ca 0.45 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.51 3ibj s SER 713 Cb 0.30 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3ibj s SER 713 CO -0.25 -0.65 -0.18 -0.69 0.98 0.00 0.00 173.24 172.45 3ibj s VAL 714 N -3.08 1.53 0.56 5.02 1.01 -1.26 -4.99 120.40 119.19 3ibj s VAL 714 Ca -0.01 -0.75 0.31 0.00 0.00 0.00 0.00 61.98 61.53 3ibj s VAL 714 Cb 0.01 -1.33 0.36 0.00 0.00 0.00 0.00 36.38 35.42 3ibj s VAL 714 CO -0.07 0.44 2.24 0.25 0.00 0.00 0.00 175.10 177.96 3ibj h LEU 715 N 6.48 0.00 -1.83 3.92 5.85 -1.98 -1.95 115.31 125.80 3ibj h LEU 715 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3ibj h LEU 715 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3ibj h LEU 715 CO 0.47 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.60 3ibj n ALA 716 N -2.28 2.20 -0.00 1.25 0.00 -1.26 -0.92 120.51 119.49 3ibj n ALA 716 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ibj n ALA 716 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3ibj n ALA 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ibj n ALA 717 N 0.55 1.84 -1.17 0.00 0.00 -0.73 -3.84 120.51 117.16 3ibj n ALA 717 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ibj n ALA 717 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3ibj n ALA 717 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ibj n LEU 718 N -0.90 0.00 -2.79 0.00 7.94 -0.09 -4.55 117.00 116.60 3ibj n LEU 718 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ibj n LEU 718 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3ibj n LEU 718 CO 0.00 0.00 0.72 0.00 -1.11 0.00 0.00 177.39 177.00 3ibj n TYR 719 N -0.94 0.00 0.00 1.96 -0.00 -1.08 -4.18 117.16 112.92 3ibj n TYR 719 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.90 57.65 3ibj n TYR 719 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 38.85 3ibj n TYR 719 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3ibj n SER 720 N 3.95 0.00 -3.35 2.98 3.41 -1.26 -4.67 113.62 114.67 3ibj n SER 720 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3ibj n SER 720 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3ibj n SER 720 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ibj n SER 721 N 0.00 0.88 0.00 4.04 3.41 -1.25 -2.11 113.62 118.59 3ibj n SER 721 Ca 0.00 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3ibj n SER 721 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3ibj n SER 721 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ibj n GLU 722 N -1.72 0.00 0.00 4.33 4.71 -1.26 -4.65 120.64 122.04 3ibj n GLU 722 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3ibj n GLU 722 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.72 3ibj n GLU 722 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ibj n GLY 723 N -1.32 -0.74 3.88 0.62 0.00 -1.26 -4.70 105.19 101.66 3ibj n GLY 723 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ibj n GLY 723 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ibj n SER 724 N 0.00 0.00 -0.30 1.61 7.64 -1.26 -4.87 113.62 116.44 3ibj n SER 724 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 3ibj n SER 724 Cb 0.00 -0.66 0.26 0.00 -1.01 0.00 0.00 64.21 62.80 3ibj n SER 724 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ibj h VAL 725 N 0.00 0.25 0.17 0.44 2.07 -1.99 -0.19 116.25 117.00 3ibj h VAL 725 Ca 0.00 -0.05 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 3ibj h VAL 725 Cb 0.00 0.10 0.03 0.00 -1.52 0.00 0.00 31.29 29.90 3ibj h VAL 725 CO 0.00 0.02 -1.32 -0.03 0.02 0.00 0.00 177.57 176.26 3ibj h MET 726 N 0.13 0.50 -0.32 1.57 -1.53 -1.92 -2.87 114.93 110.49 3ibj h MET 726 Ca 0.53 -0.76 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 3ibj h MET 726 Cb 1.06 0.27 -0.02 0.00 -0.55 0.00 0.00 31.60 32.36 3ibj h MET 726 CO -0.72 1.35 0.17 0.93 0.14 0.00 0.00 176.91 178.78 3ibj h GLU 727 N 0.17 0.44 -0.00 0.39 3.07 -1.53 0.65 114.58 117.76 3ibj h GLU 727 Ca -0.20 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.55 3ibj h GLU 727 Cb 2.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.82 3ibj h GLU 727 CO 0.24 0.33 -0.37 -0.09 -1.40 0.00 0.00 179.01 177.72 3ibj h ARG 728 N 0.44 0.00 -0.21 2.33 2.43 -1.10 -2.24 114.38 116.03 3ibj h ARG 728 Ca 0.12 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 3ibj h ARG 728 Cb 0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3ibj h ARG 728 CO -0.02 0.37 -0.65 1.25 -1.51 0.00 0.00 179.97 179.41 3ibj h HIS 729 N 0.00 1.01 -0.04 2.20 2.76 0.47 -2.19 115.15 119.37 3ibj h HIS 729 Ca -0.00 -0.40 -0.16 0.00 -2.20 0.00 0.00 60.37 57.61 3ibj h HIS 729 Cb 0.65 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 3ibj h HIS 729 CO 0.00 1.21 -0.70 0.45 -1.30 0.00 0.00 177.93 177.59 3ibj h HIS 730 N 0.57 0.26 -0.33 5.26 3.86 -0.98 0.23 115.15 124.02 3ibj h HIS 730 Ca -0.01 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 3ibj h HIS 730 Cb 1.25 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 3ibj h HIS 730 CO 0.07 0.83 -0.22 0.35 0.86 0.00 0.00 177.93 179.82 3ibj h PHE 731 N 0.13 0.86 -0.21 2.45 3.57 -1.43 -2.39 116.94 119.91 3ibj h PHE 731 Ca -0.02 -0.23 -0.14 0.00 3.53 0.00 0.00 57.97 61.11 3ibj h PHE 731 Cb 1.25 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3ibj h PHE 731 CO 0.02 0.97 -0.46 0.00 -2.23 0.00 0.00 178.31 176.61 3ibj h ALA 732 N 0.76 0.81 0.54 2.41 0.00 -1.24 -2.74 119.26 119.80 3ibj h ALA 732 Ca 0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3ibj h ALA 732 Cb 0.77 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ibj h ALA 732 CO 0.06 0.66 -0.26 1.96 0.00 0.00 0.00 179.25 181.67 3ibj h GLN 733 N 0.44 -0.70 -0.56 0.00 1.08 -0.49 -1.96 115.11 112.92 3ibj h GLN 733 Ca 0.03 0.05 0.16 0.00 -1.45 0.00 0.00 58.65 57.44 3ibj h GLN 733 Cb 0.97 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 3ibj h GLN 733 CO 0.09 -0.41 0.66 0.00 -0.95 0.00 0.00 178.83 178.22 3ibj h ALA 734 N -0.53 2.31 -0.02 3.87 0.00 -1.44 0.97 119.26 124.42 3ibj h ALA 734 Ca -0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3ibj h ALA 734 Cb 0.62 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ibj h ALA 734 CO 0.12 -0.95 -0.70 0.82 0.00 0.00 0.00 179.25 178.54 3ibj h ILE 735 N 0.00 1.38 -0.10 0.00 1.08 -1.09 -2.86 117.51 115.92 3ibj h ILE 735 Ca 0.27 -2.08 0.03 0.00 -0.39 0.00 0.00 64.86 62.68 3ibj h ILE 735 Cb 1.59 2.47 -0.00 0.00 -3.07 0.00 0.00 36.82 37.81 3ibj h ILE 735 CO -0.00 0.62 0.13 0.00 -0.69 0.00 0.00 178.15 178.21 3ibj h ALA 736 N 0.37 1.62 0.05 1.87 0.00 0.17 0.18 119.26 123.51 3ibj h ALA 736 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ibj h ALA 736 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3ibj h ALA 736 CO 0.14 -0.18 -0.02 0.82 0.00 0.00 0.00 179.25 180.00 3ibj h ILE 737 N 0.00 1.08 -0.28 0.00 2.04 -1.44 -2.59 117.51 116.31 3ibj h ILE 737 Ca 0.05 -1.63 0.08 0.00 1.00 0.00 0.00 64.86 64.36 3ibj h ILE 737 Cb 0.31 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3ibj h ILE 737 CO -0.00 0.34 0.35 -0.07 0.00 0.00 0.00 178.15 178.77 3ibj h LEU 738 N -0.94 0.00 -1.26 1.44 3.38 -1.12 1.34 115.31 118.16 3ibj h LEU 738 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ibj h LEU 738 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ibj h LEU 738 CO 0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.13 3ibj n ASN 739 N -3.62 1.93 -4.90 -0.43 3.02 0.55 -3.87 115.26 107.94 3ibj n ASN 739 Ca 0.04 -1.67 -0.28 0.00 -0.03 0.00 0.00 54.58 52.64 3ibj n ASN 739 Cb 0.49 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 3ibj n ASN 739 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ibj s THR 740 N -1.92 4.91 0.17 3.41 2.01 0.46 -4.98 115.64 119.70 3ibj s THR 740 Ca 0.35 0.27 -0.32 0.00 0.31 0.00 0.00 61.69 62.30 3ibj s THR 740 Cb 0.20 -3.78 -0.11 0.00 0.01 0.00 0.00 72.50 68.82 3ibj s THR 740 CO 0.31 -0.58 1.62 -2.28 -0.69 0.00 0.00 174.62 173.00 3ibj s HIS 741 N -2.41 3.00 -1.72 4.92 2.46 -1.26 -3.32 115.29 116.95 3ibj s HIS 741 Ca 0.47 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.53 3ibj s HIS 741 Cb -0.10 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 3ibj s HIS 741 CO 0.35 -3.71 0.00 0.41 -2.47 0.00 0.00 174.74 169.33 3ibj n GLY 742 N 3.83 -0.08 0.00 1.59 0.00 -1.26 -4.83 105.19 104.44 3ibj n GLY 742 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ibj n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibj s ASN 744 N -1.61 5.25 0.18 0.00 3.84 -1.25 -4.66 114.94 116.69 3ibj s ASN 744 Ca 0.00 -1.26 0.15 0.00 0.21 0.00 0.00 52.86 51.96 3ibj s ASN 744 Cb 0.00 -2.57 0.74 0.00 -0.55 0.00 0.00 41.25 38.87 3ibj s ASN 744 CO 0.00 -2.76 1.46 2.30 -2.79 0.00 0.00 177.10 175.31 3ibj n ILE 745 N 7.72 1.27 -0.91 -5.21 -5.35 -1.26 -1.30 119.36 114.31 3ibj n ILE 745 Ca 0.42 0.52 -0.05 0.00 -0.27 0.00 0.00 62.75 63.38 3ibj n ILE 745 Cb 0.47 -1.48 0.30 0.00 -1.74 0.00 0.00 39.64 37.19 3ibj n ILE 745 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3ibj n PHE 746 N -1.95 2.34 -0.23 4.28 3.72 -1.26 -4.67 117.46 119.69 3ibj n PHE 746 Ca 0.00 -1.11 -0.11 0.00 -0.05 0.00 0.00 57.45 56.18 3ibj n PHE 746 Cb 0.08 -0.66 -0.09 0.00 -0.94 0.00 0.00 39.48 37.87 3ibj n PHE 746 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ibj h ASP 747 N 2.69 -1.79 -0.37 4.37 3.32 -1.59 -3.13 116.42 119.93 3ibj h ASP 747 Ca 0.23 0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 3ibj h ASP 747 Cb 2.24 0.76 -0.00 0.00 0.22 0.00 0.00 39.33 42.55 3ibj h ASP 747 CO 0.69 -0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.92 3ibj n HIS 748 N -5.06 1.33 -2.57 4.55 1.44 -1.26 -4.94 115.22 108.69 3ibj n HIS 748 Ca -0.01 -0.47 -0.39 0.00 -2.01 0.00 0.00 57.72 54.85 3ibj n HIS 748 Cb 0.28 -0.37 -0.05 0.00 0.12 0.00 0.00 29.99 29.97 3ibj n HIS 748 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3ibj s PHE 749 N -2.11 3.56 0.64 -1.40 0.40 -1.19 -5.00 117.98 112.88 3ibj s PHE 749 Ca 0.34 1.73 -0.18 0.00 -0.60 0.00 0.00 56.93 58.22 3ibj s PHE 749 Cb 0.26 -3.15 -0.02 0.00 0.51 0.00 0.00 43.02 40.63 3ibj s PHE 749 CO 0.10 -0.33 1.16 -1.13 0.70 0.00 0.00 175.22 175.72 3ibj n SER 750 N 0.76 1.51 -0.12 1.36 3.41 -1.26 -4.45 113.62 114.83 3ibj n SER 750 Ca 0.01 0.81 0.27 0.00 -0.26 0.00 0.00 58.87 59.70 3ibj n SER 750 Cb 0.47 -1.49 0.67 0.00 -0.26 0.00 0.00 64.21 63.60 3ibj n SER 750 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ibj h ARG 751 N 0.44 0.00 0.10 4.33 3.08 -1.98 0.55 114.38 120.90 3ibj h ARG 751 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3ibj h ARG 751 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3ibj h ARG 751 CO 0.52 0.00 -0.05 0.87 -1.07 0.00 0.00 179.97 180.24 3ibj h LYS 752 N 0.00 -0.13 0.21 0.04 6.56 -2.00 -2.38 116.57 118.87 3ibj h LYS 752 Ca 0.39 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.98 3ibj h LYS 752 Cb 1.96 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.65 3ibj h LYS 752 CO -0.00 0.22 -0.10 -0.44 -2.06 0.00 0.00 179.45 177.06 3ibj h ASP 753 N -0.50 -0.24 -0.76 0.86 3.32 -0.30 -2.61 116.42 116.19 3ibj h ASP 753 Ca -0.01 -0.16 0.17 0.00 0.02 0.00 0.00 57.03 57.05 3ibj h ASP 753 Cb 0.41 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.91 3ibj h ASP 753 CO 0.02 0.02 0.16 0.22 -1.72 0.00 0.00 179.24 177.95 3ibj h TYR 754 N -0.51 0.24 0.00 4.55 3.20 -1.12 1.07 116.97 124.39 3ibj h TYR 754 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ibj h TYR 754 Cb 0.39 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3ibj h TYR 754 CO 0.00 -0.12 0.00 0.94 -1.64 0.00 0.00 178.16 177.34 3ibj n GLN 755 N -5.19 0.00 -0.42 1.82 0.00 -0.90 -2.54 117.38 110.15 3ibj n GLN 755 Ca 0.15 0.33 0.35 0.00 -0.00 0.00 0.00 57.00 57.82 3ibj n GLN 755 Cb 0.49 -1.32 0.64 0.00 0.00 0.00 0.00 30.24 30.06 3ibj n GLN 755 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 3ibj h ARG 756 N 0.00 0.14 0.00 3.69 0.11 -1.01 1.69 114.38 119.00 3ibj h ARG 756 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3ibj h ARG 756 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.05 3ibj h ARG 756 CO 0.00 0.09 0.00 -0.12 0.10 0.00 0.00 179.97 180.04 3ibj n MET 757 N -4.53 0.26 -0.08 0.08 1.56 0.36 -1.29 117.12 113.48 3ibj n MET 757 Ca 0.33 0.12 -0.10 0.00 -0.27 0.00 0.00 57.70 57.78 3ibj n MET 757 Cb 1.32 -1.50 -0.11 0.00 2.15 0.00 0.00 33.22 35.08 3ibj n MET 757 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3ibj n LEU 758 N -1.25 1.32 0.00 -0.89 4.32 0.57 -3.65 117.00 117.43 3ibj n LEU 758 Ca 0.08 -0.05 -0.13 0.00 -0.02 0.00 0.00 56.01 55.89 3ibj n LEU 758 Cb 0.12 -0.09 -0.10 0.00 -1.62 0.00 0.00 43.42 41.73 3ibj n LEU 758 CO 0.12 0.58 0.64 0.44 -1.22 0.00 0.00 177.39 177.95 3ibj h ASP 759 N 0.00 -0.02 -0.39 -1.43 3.32 -1.15 -0.75 116.42 115.99 3ibj h ASP 759 Ca -0.42 -0.43 0.04 0.00 0.02 0.00 0.00 57.03 56.24 3ibj h ASP 759 Cb 1.82 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 41.32 3ibj h ASP 759 CO -0.02 0.42 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.53 3ibj h LEU 760 N -0.47 -1.15 -0.87 1.55 3.38 -1.40 0.78 115.31 117.12 3ibj h LEU 760 Ca -0.00 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3ibj h LEU 760 Cb 0.45 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3ibj h LEU 760 CO 0.00 -0.18 0.54 0.24 0.09 0.00 0.00 178.44 179.14 3ibj h MET 761 N -0.12 0.96 -0.05 1.13 2.86 -1.62 -0.14 114.93 117.96 3ibj h MET 761 Ca 0.07 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3ibj h MET 761 Cb 0.29 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3ibj h MET 761 CO -0.43 0.64 -0.04 -0.09 1.06 0.00 0.00 176.91 178.04 3ibj h ARG 762 N 0.99 -0.05 0.68 1.72 2.43 0.61 -1.00 114.38 119.77 3ibj h ARG 762 Ca 0.38 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3ibj h ARG 762 Cb 0.17 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3ibj h ARG 762 CO -0.17 -0.03 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.49 3ibj h ASP 763 N -0.05 -0.78 -0.59 -3.80 3.32 0.77 -1.52 116.42 113.78 3ibj h ASP 763 Ca 0.03 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.18 3ibj h ASP 763 Cb 0.10 0.20 -0.10 0.00 0.22 0.00 0.00 39.33 39.75 3ibj h ASP 763 CO -0.08 -0.54 -0.54 0.40 -1.72 0.00 0.00 179.24 176.76 3ibj h ILE 764 N -0.95 0.01 -0.31 0.35 2.04 -1.05 0.48 117.51 118.08 3ibj h ILE 764 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3ibj h ILE 764 Cb 0.70 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ibj h ILE 764 CO 0.15 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.91 3ibj h ILE 765 N -0.27 1.03 0.00 -0.67 2.04 -1.25 0.51 117.51 118.90 3ibj h ILE 765 Ca 0.12 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ibj h ILE 765 Cb 0.55 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3ibj h ILE 765 CO -0.70 0.06 0.00 -0.07 0.00 0.00 0.00 178.15 177.44 3ibj h LEU 766 N 0.34 0.00 -0.80 1.44 4.07 0.12 -2.68 115.31 117.80 3ibj h LEU 766 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3ibj h LEU 766 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 3ibj h LEU 766 CO -0.03 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.33 3ibj h ALA 767 N 2.26 1.00 0.00 1.53 0.00 0.47 -3.03 119.26 121.49 3ibj h ALA 767 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ibj h ALA 767 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ibj h ALA 767 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3ibj n THR 768 N -2.94 0.52 -3.64 0.00 -2.24 -1.01 -4.52 114.28 100.45 3ibj n THR 768 Ca 0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 3ibj n THR 768 Cb 0.38 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.77 3ibj n THR 768 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ibj s ASP 769 N 0.56 5.57 0.36 3.42 3.68 -1.15 -4.71 116.67 124.41 3ibj s ASP 769 Ca 0.00 -1.28 0.15 0.00 2.13 0.00 0.00 52.55 53.55 3ibj s ASP 769 Cb 0.00 -1.96 1.02 0.00 -1.45 0.00 0.00 42.92 40.53 3ibj s ASP 769 CO 0.00 -0.44 1.74 0.25 0.13 0.00 0.00 175.17 176.85 3ibj h LEU 770 N 8.36 0.55 -1.98 -1.34 7.12 -1.67 0.73 115.31 127.07 3ibj h LEU 770 Ca -0.23 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.87 3ibj h LEU 770 Cb 1.09 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 3ibj h LEU 770 CO 0.69 0.06 -0.10 0.00 -0.13 0.00 0.00 178.44 178.96 3ibj h ALA 771 N 1.69 1.29 0.14 1.25 0.00 -1.87 -1.15 119.26 120.61 3ibj h ALA 771 Ca 0.64 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 55.13 3ibj h ALA 771 Cb 1.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3ibj h ALA 771 CO -0.41 0.13 -1.66 1.25 0.00 0.00 0.00 179.25 178.56 3ibj h HIS 772 N 0.00 0.55 -0.01 0.00 -0.00 0.05 -3.07 115.15 112.68 3ibj h HIS 772 Ca -0.00 -0.40 0.03 0.00 -0.00 0.00 0.00 60.37 60.00 3ibj h HIS 772 Cb 0.30 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.64 3ibj h HIS 772 CO 0.00 1.51 -0.32 1.25 -0.00 0.00 0.00 177.93 180.37 3ibj h HIS 773 N 0.08 -0.89 -0.87 5.26 6.17 -0.15 -0.09 115.15 124.67 3ibj h HIS 773 Ca -0.30 0.03 0.08 0.00 0.71 0.00 0.00 60.37 60.89 3ibj h HIS 773 Cb 2.05 0.39 -0.06 0.00 2.52 0.00 0.00 27.41 32.32 3ibj h HIS 773 CO 0.08 -0.41 0.56 -0.07 0.71 0.00 0.00 177.93 178.80 3ibj h LEU 774 N -0.47 0.82 -1.56 0.26 3.38 -1.38 0.52 115.31 116.88 3ibj h LEU 774 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ibj h LEU 774 Cb 0.56 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ibj h LEU 774 CO -0.27 0.51 0.28 0.03 0.09 0.00 0.00 178.44 179.07 3ibj h ARG 775 N 0.92 0.58 -0.00 1.13 3.08 -0.93 -2.57 114.38 116.58 3ibj h ARG 775 Ca 0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ibj h ARG 775 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ibj h ARG 775 CO -0.15 0.39 -0.90 0.44 -1.07 0.00 0.00 179.97 178.67 3ibj n ILE 776 N -4.46 0.00 -0.32 2.04 -5.35 -0.71 -4.64 119.36 105.92 3ibj n ILE 776 Ca 0.03 -0.05 0.17 0.00 -0.27 0.00 0.00 62.75 62.64 3ibj n ILE 776 Cb 0.06 1.00 0.33 0.00 -1.74 0.00 0.00 39.64 39.29 3ibj n ILE 776 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 3ibj n PHE 777 N -1.44 0.69 0.31 4.28 7.35 0.09 0.72 117.46 129.47 3ibj n PHE 777 Ca 0.04 1.12 0.19 0.00 -0.76 0.00 0.00 57.45 58.04 3ibj n PHE 777 Cb 0.30 -1.26 0.93 0.00 0.35 0.00 0.00 39.48 39.80 3ibj n PHE 777 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3ibj h LYS 778 N 0.00 0.00 0.00 -4.13 3.64 -1.82 -0.77 116.57 113.49 3ibj h LYS 778 Ca 0.61 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.94 3ibj h LYS 778 Cb 1.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3ibj h LYS 778 CO -0.85 0.00 -1.20 -0.25 -2.27 0.00 0.00 179.45 174.89 3ibj n ASP 779 N -3.02 0.78 0.02 4.20 8.00 0.22 -3.26 116.55 123.49 3ibj n ASP 779 Ca -0.01 0.31 0.11 0.00 0.71 0.00 0.00 54.79 55.91 3ibj n ASP 779 Cb 0.18 0.49 0.48 0.00 -0.02 0.00 0.00 41.12 42.25 3ibj n ASP 779 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ibj n LEU 780 N -2.70 0.10 -0.07 0.64 4.77 -0.32 -3.30 117.00 116.12 3ibj n LEU 780 Ca -0.03 0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 56.42 3ibj n LEU 780 Cb 0.63 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3ibj n LEU 780 CO 0.41 -0.14 -0.32 1.56 -1.33 0.00 0.00 177.39 177.58 3ibj h GLN 781 N 0.00 0.00 -0.88 3.23 4.20 -1.47 -3.14 115.11 117.06 3ibj h GLN 781 Ca 0.00 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.94 3ibj h GLN 781 Cb 0.42 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 3ibj h GLN 781 CO 0.00 0.00 0.61 -0.22 -0.67 0.00 0.00 178.83 178.55 3ibj h LYS 782 N -0.94 0.18 0.44 1.46 3.64 -1.68 1.07 116.57 120.74 3ibj h LYS 782 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ibj h LYS 782 Cb 0.46 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ibj h LYS 782 CO 0.00 0.12 -0.21 1.98 -2.27 0.00 0.00 179.45 179.07 3ibj h MET 783 N 0.19 -0.57 -0.18 1.90 4.05 -1.73 0.80 114.93 119.39 3ibj h MET 783 Ca 0.44 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.95 3ibj h MET 783 Cb 1.43 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.35 3ibj h MET 783 CO -0.09 -0.27 0.16 0.00 0.23 0.00 0.00 176.91 176.94 3ibj h ALA 784 N -0.42 1.92 0.20 0.39 0.00 0.09 -0.89 119.26 120.55 3ibj h ALA 784 Ca -0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 3ibj h ALA 784 Cb 0.56 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.39 3ibj h ALA 784 CO 0.10 -0.26 -1.39 0.93 0.00 0.00 0.00 179.25 178.64 3ibj h GLU 785 N 0.00 0.43 -2.31 0.00 5.08 0.14 -3.38 114.58 114.54 3ibj h GLU 785 Ca 0.08 -0.73 -0.67 0.00 -1.00 0.00 0.00 59.36 57.05 3ibj h GLU 785 Cb 0.41 0.27 -0.37 0.00 0.50 0.00 0.00 28.75 29.56 3ibj h GLU 785 CO -0.00 1.35 -0.07 1.33 -1.00 0.00 0.00 179.01 180.62 3ibj n VAL 786 N -3.64 4.01 0.00 3.13 0.24 0.27 -5.05 118.33 117.30 3ibj n VAL 786 Ca -0.13 -5.68 0.00 0.00 -2.04 0.00 0.00 64.34 56.48 3ibj n VAL 786 Cb 1.07 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 3ibj n VAL 786 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ibj n GLY 787 N 0.03 2.24 0.00 7.63 0.00 -1.08 -4.63 105.19 109.38 3ibj n GLY 787 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3ibj n GLY 787 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ibj n TYR 788 N 5.31 0.00 -1.70 1.61 9.36 -1.26 -4.42 117.16 126.06 3ibj n TYR 788 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 3ibj n TYR 788 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 3ibj n TYR 788 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3ibj n ASP 789 N 0.00 3.37 -0.37 2.98 -0.08 -1.26 -4.83 116.55 116.35 3ibj n ASP 789 Ca 0.00 1.12 0.13 0.00 -1.51 0.00 0.00 54.79 54.54 3ibj n ASP 789 Cb 0.00 -1.51 0.40 0.00 2.34 0.00 0.00 41.12 42.36 3ibj n ASP 789 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3ibj n ARG 790 N 2.55 1.22 -0.00 -0.67 0.63 -1.26 -3.33 116.66 115.79 3ibj n ARG 790 Ca 0.12 -0.75 0.09 0.00 -0.92 0.00 0.00 57.85 56.39 3ibj n ARG 790 Cb 0.33 -1.48 -0.12 0.00 0.45 0.00 0.00 32.46 31.64 3ibj n ARG 790 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ibj n ASN 791 N -0.24 0.77 -4.64 6.15 3.02 -1.26 -4.86 115.26 114.19 3ibj n ASN 791 Ca 0.15 -0.63 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 3ibj n ASN 791 Cb 0.37 1.30 -0.02 0.00 -0.61 0.00 0.00 39.78 40.82 3ibj n ASN 791 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ibj s ASN 792 N -3.28 6.94 0.22 6.41 3.84 -1.21 -4.87 114.94 122.98 3ibj s ASN 792 Ca 0.02 1.21 0.01 0.00 0.21 0.00 0.00 52.86 54.31 3ibj s ASN 792 Cb 0.14 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.49 3ibj s ASN 792 CO 0.79 -0.85 1.54 0.11 -2.79 0.00 0.00 177.10 175.90 3ibj h LYS 793 N 8.12 0.39 -0.39 0.43 6.56 -1.89 -2.87 116.57 126.93 3ibj h LYS 793 Ca -0.21 -0.25 -0.06 0.00 -1.06 0.00 0.00 60.65 59.06 3ibj h LYS 793 Cb 1.07 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 3ibj h LYS 793 CO 1.02 0.85 -0.01 0.37 -2.06 0.00 0.00 179.45 179.62 3ibj h GLN 794 N 0.30 0.62 0.00 3.15 5.75 -1.95 -2.47 115.11 120.50 3ibj h GLN 794 Ca 0.00 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.30 3ibj h GLN 794 Cb 1.08 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3ibj h GLN 794 CO 0.10 0.65 -0.27 0.45 -2.65 0.00 0.00 178.83 177.11 3ibj h HIS 795 N 0.59 0.00 0.00 3.99 3.86 -1.79 -2.64 115.15 119.16 3ibj h HIS 795 Ca 0.12 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.15 3ibj h HIS 795 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3ibj h HIS 795 CO 0.02 0.27 -0.86 0.45 0.86 0.00 0.00 177.93 178.66 3ibj h HIS 796 N 0.00 0.08 0.35 2.45 3.86 -1.33 -0.99 115.15 119.58 3ibj h HIS 796 Ca -0.00 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3ibj h HIS 796 Cb 0.70 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3ibj h HIS 796 CO 0.00 0.89 -0.17 0.00 0.86 0.00 0.00 177.93 179.51 3ibj h ARG 797 N 0.03 -0.46 -0.29 2.45 3.08 -1.37 -2.04 114.38 115.79 3ibj h ARG 797 Ca -0.02 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3ibj h ARG 797 Cb 1.51 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 3ibj h ARG 797 CO 0.12 -0.15 0.09 -0.07 -1.07 0.00 0.00 179.97 178.89 3ibj h LEU 798 N -0.97 0.08 -1.53 3.04 3.38 -1.53 -0.05 115.31 117.74 3ibj h LEU 798 Ca -0.05 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.11 3ibj h LEU 798 Cb 0.52 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3ibj h LEU 798 CO 0.08 0.08 0.53 0.25 0.09 0.00 0.00 178.44 179.47 3ibj h LEU 799 N 0.21 0.43 0.00 1.67 5.85 -1.23 0.27 115.31 122.50 3ibj h LEU 799 Ca 0.13 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.68 3ibj h LEU 799 Cb 0.11 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3ibj h LEU 799 CO -0.14 0.22 -0.94 -0.07 -0.34 0.00 0.00 178.44 177.16 3ibj h LEU 800 N 0.45 0.00 0.23 2.25 3.38 -0.41 -1.88 115.31 119.34 3ibj h LEU 800 Ca 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 3ibj h LEU 800 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ibj h LEU 800 CO -0.14 0.94 -0.11 0.00 0.09 0.00 0.00 178.44 179.22 3ibj h LEU 802 N -0.76 -0.46 -0.45 0.00 5.85 -0.60 -1.25 115.31 117.64 3ibj h LEU 802 Ca -0.03 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3ibj h LEU 802 Cb 0.50 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3ibj h LEU 802 CO 0.05 -0.17 0.24 -0.07 -0.34 0.00 0.00 178.44 178.15 3ibj h LEU 803 N 0.02 0.36 0.26 2.25 3.38 -1.28 -0.00 115.31 120.29 3ibj h LEU 803 Ca 0.27 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ibj h LEU 803 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ibj h LEU 803 CO -0.55 0.25 -0.20 -0.03 0.09 0.00 0.00 178.44 178.00 3ibj h MET 804 N 0.48 -0.45 -0.84 1.13 4.05 -0.65 -1.49 114.93 117.15 3ibj h MET 804 Ca 0.19 0.03 0.16 0.00 -0.28 0.00 0.00 59.70 59.80 3ibj h MET 804 Cb 0.08 0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 30.88 3ibj h MET 804 CO -0.12 -0.30 0.41 1.15 0.23 0.00 0.00 176.91 178.27 3ibj h THR 805 N -0.47 0.67 -0.50 -0.77 2.02 -1.00 0.37 112.91 113.23 3ibj h THR 805 Ca -0.02 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 3ibj h THR 805 Cb 0.41 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3ibj h THR 805 CO -0.01 0.10 0.02 0.28 0.37 0.00 0.00 175.52 176.29 3ibj h SER 806 N 0.55 0.78 0.51 4.18 0.02 -0.45 -2.20 113.55 116.95 3ibj h SER 806 Ca 0.47 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 61.04 3ibj h SER 806 Cb 0.71 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3ibj h SER 806 CO -0.40 0.83 -0.87 0.00 -1.14 0.00 0.00 176.83 175.26 3ibj h ASP 808 N 0.14 -0.70 -0.45 0.00 1.82 -0.71 -3.05 116.42 113.48 3ibj h ASP 808 Ca -0.05 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3ibj h ASP 808 Cb 1.49 0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.69 3ibj h ASP 808 CO 0.14 -0.48 0.00 0.18 -1.61 0.00 0.00 179.24 177.47 3ibj n LEU 809 N -5.43 3.86 0.31 2.28 4.77 -0.85 -4.59 117.00 117.34 3ibj n LEU 809 Ca -0.12 -1.95 0.11 0.00 -0.03 0.00 0.00 56.01 54.02 3ibj n LEU 809 Cb 0.33 -0.54 0.60 0.00 -2.33 0.00 0.00 43.42 41.48 3ibj n LEU 809 CO 0.36 0.58 1.05 0.77 -1.33 0.00 0.00 177.39 178.82 3ibj h SER 810 N 2.90 0.00 0.00 -1.43 4.64 -1.10 -1.69 113.55 116.87 3ibj h SER 810 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ibj h SER 810 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ibj h SER 810 CO 0.24 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 3ibj n ASP 811 N -2.68 0.00 0.06 4.97 5.75 -1.26 -1.84 116.55 121.55 3ibj n ASP 811 Ca -0.01 -0.93 0.12 0.00 -0.01 0.00 0.00 54.79 53.96 3ibj n ASP 811 Cb 0.48 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.73 3ibj n ASP 811 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3ibj h GLN 812 N 0.00 0.00 0.00 0.11 1.08 -1.70 -3.28 115.11 111.32 3ibj h GLN 812 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3ibj h GLN 812 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3ibj h GLN 812 CO 0.00 0.00 -1.37 0.25 -0.95 0.00 0.00 178.83 176.76 3ibj n THR 813 N -2.14 0.80 -0.82 -0.54 -2.24 -0.76 -3.66 114.28 104.91 3ibj n THR 813 Ca 0.03 -0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 3ibj n THR 813 Cb 0.44 -0.46 0.19 0.00 -2.10 0.00 0.00 70.33 68.41 3ibj n THR 813 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ibj s LYS 814 N -3.17 0.29 0.42 -0.78 -0.14 -1.24 -4.76 119.74 110.36 3ibj s LYS 814 Ca -0.03 0.99 -0.26 0.00 -1.36 0.00 0.00 55.97 55.31 3ibj s LYS 814 Cb 0.10 -1.68 -0.09 0.00 -1.68 0.00 0.00 37.83 34.48 3ibj s LYS 814 CO 0.82 -2.95 1.36 0.20 -0.76 0.00 0.00 175.35 174.01 3ibj s GLY 815 N -2.88 2.93 0.25 -3.33 0.00 -1.26 -4.50 107.32 98.52 3ibj s GLY 815 Ca 0.66 1.34 -0.01 0.00 0.00 0.00 0.00 44.72 46.71 3ibj s GLY 815 CO 0.60 1.94 1.28 1.87 0.00 0.00 0.00 173.10 178.80 3ibj n TRP 816 N 0.07 0.44 0.68 1.90 -0.00 -1.26 0.29 117.44 119.57 3ibj n TRP 816 Ca 0.04 0.99 0.13 0.00 -0.00 0.00 0.00 57.50 58.65 3ibj n TRP 816 Cb 0.43 -1.07 0.47 0.00 -0.00 0.00 0.00 31.31 31.14 3ibj n TRP 816 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 3ibj n LYS 817 N -5.23 0.15 -0.01 5.87 2.85 -1.26 -1.03 118.16 119.51 3ibj n LYS 817 Ca 0.17 0.19 -0.01 0.00 -1.05 0.00 0.00 58.31 57.62 3ibj n LYS 817 Cb 0.55 -1.70 -0.00 0.00 -0.65 0.00 0.00 35.03 33.23 3ibj n LYS 817 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3ibj h THR 818 N 0.00 0.00 -0.90 0.58 2.02 0.40 -3.02 112.91 111.99 3ibj h THR 818 Ca 0.00 -0.48 0.14 0.00 0.77 0.00 0.00 66.41 66.85 3ibj h THR 818 Cb 0.56 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.88 3ibj h THR 818 CO 0.00 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.39 3ibj h THR 819 N -0.52 0.78 -1.00 3.16 1.03 -0.97 -0.50 112.91 114.89 3ibj h THR 819 Ca -0.00 -0.25 0.06 0.00 -0.01 0.00 0.00 66.41 66.21 3ibj h THR 819 Cb 0.03 -0.02 -0.07 0.00 -1.07 0.00 0.00 68.15 67.03 3ibj h THR 819 CO 0.01 0.13 0.65 -0.09 -0.01 0.00 0.00 175.52 176.21 3ibj h ARG 820 N 0.73 1.14 -0.08 0.00 1.12 -1.22 0.55 114.38 116.62 3ibj h ARG 820 Ca 0.48 -0.07 -0.13 0.00 -1.11 0.00 0.00 59.98 59.16 3ibj h ARG 820 Cb 0.64 -0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 3ibj h ARG 820 CO -0.34 0.76 -0.52 0.87 -3.11 0.00 0.00 179.97 177.63 3ibj h LYS 821 N 1.18 0.21 0.27 0.20 1.79 -0.98 -3.25 116.57 115.99 3ibj h LYS 821 Ca 0.43 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 3ibj h LYS 821 Cb 0.16 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3ibj h LYS 821 CO -0.17 0.68 -0.13 0.82 -1.08 0.00 0.00 179.45 179.57 3ibj h ILE 822 N 0.17 0.00 -1.35 1.86 2.04 -0.54 -3.25 117.51 116.43 3ibj h ILE 822 Ca 0.00 -0.32 0.39 0.00 1.00 0.00 0.00 64.86 65.94 3ibj h ILE 822 Cb 0.97 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3ibj h ILE 822 CO 0.08 0.00 1.07 0.00 0.00 0.00 0.00 178.15 179.30 3ibj n ALA 823 N -2.43 1.30 0.13 1.87 0.00 0.08 0.23 120.51 121.68 3ibj n ALA 823 Ca -0.05 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 3ibj n ALA 823 Cb 0.15 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 3ibj n ALA 823 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ibj h GLU 824 N 0.00 -0.29 -0.06 0.00 5.08 -1.59 0.67 114.58 118.40 3ibj h GLU 824 Ca 0.64 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 59.04 3ibj h GLU 824 Cb 2.78 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 32.08 3ibj h GLU 824 CO -0.01 -0.05 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.85 3ibj h LEU 825 N -0.50 -0.13 0.06 1.33 3.38 0.27 1.24 115.31 120.96 3ibj h LEU 825 Ca -0.03 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ibj h LEU 825 Cb 0.38 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3ibj h LEU 825 CO 0.05 -0.06 -0.33 0.40 0.09 0.00 0.00 178.44 178.60 3ibj h ILE 826 N -0.04 0.30 0.00 1.22 2.04 -1.29 -0.88 117.51 118.85 3ibj h ILE 826 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3ibj h ILE 826 Cb 0.10 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ibj h ILE 826 CO -0.09 0.00 -0.26 1.88 0.00 0.00 0.00 178.15 179.68 3ibj h TYR 827 N -0.51 0.00 -0.24 1.37 -1.99 0.10 0.69 116.97 116.39 3ibj h TYR 827 Ca 0.05 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.62 3ibj h TYR 827 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 3ibj h TYR 827 CO -0.32 0.26 -0.49 -0.22 -0.00 0.00 0.00 178.16 177.39 3ibj h LYS 828 N 0.00 0.65 0.21 4.88 3.64 0.21 -3.21 116.57 122.94 3ibj h LYS 828 Ca -0.00 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 3ibj h LYS 828 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3ibj h LYS 828 CO 0.03 1.00 -0.10 1.49 -2.27 0.00 0.00 179.45 179.60 3ibj h GLU 829 N 0.51 -0.27 0.00 1.90 4.81 -0.67 -3.27 114.58 117.60 3ibj h GLU 829 Ca 0.02 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ibj h GLU 829 Cb 1.04 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3ibj h GLU 829 CO 0.10 -0.18 0.28 0.34 -0.73 0.00 0.00 179.01 178.82 3ibj n PHE 830 N -3.24 0.00 -3.11 0.92 7.35 0.19 -2.92 117.46 116.66 3ibj n PHE 830 Ca -0.03 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.42 3ibj n PHE 830 Cb 0.11 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.90 3ibj n PHE 830 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3ibj n PHE 831 N -0.76 2.06 0.00 -5.13 0.99 -1.21 -4.62 117.46 108.78 3ibj n PHE 831 Ca 0.00 -3.90 0.00 0.00 -0.00 0.00 0.00 57.45 53.55 3ibj n PHE 831 Cb 0.28 -0.46 0.00 0.00 -1.00 0.00 0.00 39.48 38.30 3ibj n PHE 831 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ibj n SER 832 N 0.20 0.00 -0.58 4.37 3.41 -1.15 -5.03 113.62 114.85 3ibj n SER 832 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3ibj n SER 832 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3ibj n SER 832 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3ibj n GLN 833 N -0.08 0.00 0.00 4.33 0.00 -1.26 -4.50 117.38 115.87 3ibj n GLN 833 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3ibj n GLN 833 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3ibj n GLN 833 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ibj n GLY 834 N 0.00 1.06 0.00 1.69 0.00 -1.26 -4.30 105.19 102.38 3ibj n GLY 834 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3ibj n GLY 834 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ibj n ASP 835 N 0.00 0.51 0.11 1.61 -0.08 -1.26 -4.47 116.55 112.97 3ibj n ASP 835 Ca 0.00 -0.88 -0.02 0.00 -1.51 0.00 0.00 54.79 52.38 3ibj n ASP 835 Cb 0.00 0.10 0.23 0.00 2.34 0.00 0.00 41.12 43.79 3ibj n ASP 835 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3ibj h LEU 836 N 0.00 0.19 -0.27 -2.67 3.38 -1.92 0.91 115.31 114.94 3ibj h LEU 836 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3ibj h LEU 836 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ibj h LEU 836 CO 0.00 0.62 0.06 -0.33 0.09 0.00 0.00 178.44 178.88 3ibj h GLU 837 N 0.15 0.44 0.18 1.13 5.08 -1.83 -3.28 114.58 116.46 3ibj h GLU 837 Ca 0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ibj h GLU 837 Cb 0.85 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3ibj h GLU 837 CO 0.07 0.53 -0.09 0.87 -1.00 0.00 0.00 179.01 179.39 3ibj h LYS 838 N 0.27 -0.23 0.00 2.33 6.56 -1.74 -3.52 116.57 120.23 3ibj h LYS 838 Ca 0.08 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 3ibj h LYS 838 Cb 0.30 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3ibj h LYS 838 CO 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 179.45 177.24 3ibj n ALA 839 N -2.36 0.00 0.00 3.86 0.00 0.31 -5.10 120.51 117.22 3ibj n ALA 839 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ibj n ALA 839 Cb 0.10 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3ibj n ALA 839 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ibj n GLU 851 N -0.35 0.00 -0.01 0.00 -0.58 -1.26 -4.92 120.64 113.53 3ibj n GLU 851 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 3ibj n GLU 851 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 3ibj n GLU 851 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3ibj n LYS 852 N -0.06 0.54 0.09 3.49 4.81 -1.26 -4.27 118.16 121.50 3ibj n LYS 852 Ca 0.00 -0.15 0.07 0.00 -0.87 0.00 0.00 58.31 57.36 3ibj n LYS 852 Cb 0.00 -1.39 0.35 0.00 0.02 0.00 0.00 35.03 34.01 3ibj n LYS 852 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ibj n ALA 853 N -2.05 1.13 0.94 3.14 0.00 -1.26 -0.37 120.51 122.05 3ibj n ALA 853 Ca -0.03 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3ibj n ALA 853 Cb 0.42 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.83 3ibj n ALA 853 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ibj n TYR 854 N -1.93 0.05 0.23 0.00 4.02 -1.26 -4.10 117.16 114.17 3ibj n TYR 854 Ca -0.00 0.01 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 3ibj n TYR 854 Cb 0.05 -0.23 0.51 0.00 -0.02 0.00 0.00 39.34 39.65 3ibj n TYR 854 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3ibj h ILE 855 N 0.00 0.00 0.00 -0.72 2.04 -0.98 0.48 117.51 118.33 3ibj h ILE 855 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3ibj h ILE 855 Cb 0.53 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3ibj h ILE 855 CO 0.00 0.00 -0.70 -0.65 0.00 0.00 0.00 178.15 176.80 3ibj h PRO 856 N 0.00 0.00 -0.74 2.37 0.11 -1.79 -3.12 132.00 128.82 3ibj h PRO 856 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3ibj h PRO 856 Cb 0.66 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 3ibj h PRO 856 CO 0.00 0.40 0.38 1.05 -0.21 0.00 0.00 178.00 179.62 3ibj h GLU 857 N -1.00 1.05 -0.02 1.05 4.11 -1.64 0.80 114.58 118.93 3ibj h GLU 857 Ca -0.12 -0.14 0.03 0.00 0.07 0.00 0.00 59.36 59.20 3ibj h GLU 857 Cb 0.77 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3ibj h GLU 857 CO -0.08 0.80 -0.26 -0.07 0.07 0.00 0.00 179.01 179.48 3ibj h LEU 858 N 1.03 -0.77 -0.29 3.06 3.38 -0.27 0.33 115.31 121.79 3ibj h LEU 858 Ca 0.26 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 3ibj h LEU 858 Cb 0.08 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ibj h LEU 858 CO -0.04 -0.32 -0.20 -0.61 0.09 0.00 0.00 178.44 177.36 3ibj h GLN 859 N -0.39 0.65 -0.17 1.13 5.75 -1.37 -2.32 115.11 118.39 3ibj h GLN 859 Ca 0.07 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3ibj h GLN 859 Cb 0.48 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 3ibj h GLN 859 CO -0.24 0.90 -0.07 0.82 -2.65 0.00 0.00 178.83 177.59 3ibj h ILE 860 N 0.39 0.77 -0.11 2.39 1.08 0.82 -1.52 117.51 121.33 3ibj h ILE 860 Ca 0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 3ibj h ILE 860 Cb 0.74 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.25 3ibj h ILE 860 CO 0.05 0.00 0.07 -1.28 -0.69 0.00 0.00 178.15 176.31 3ibj h SER 861 N -0.04 0.05 0.05 1.72 0.87 -0.26 -0.43 113.55 115.50 3ibj h SER 861 Ca 0.09 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3ibj h SER 861 Cb 0.18 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3ibj h SER 861 CO -0.20 0.03 -0.02 0.15 -0.53 0.00 0.00 176.83 176.26 3ibj h PHE 862 N 0.06 -0.06 -0.72 2.24 3.57 -0.71 -1.02 116.94 120.28 3ibj h PHE 862 Ca 0.05 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3ibj h PHE 862 Cb 0.12 0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.75 3ibj h PHE 862 CO -0.00 -0.04 -0.34 0.52 -2.23 0.00 0.00 178.31 176.22 3ibj h MET 863 N -0.08 -0.10 -0.85 1.11 0.00 -1.33 0.84 114.93 114.51 3ibj h MET 863 Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 59.70 59.77 3ibj h MET 863 Cb 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 31.60 31.61 3ibj h MET 863 CO 0.01 -0.07 0.52 0.93 0.00 0.00 0.00 176.91 178.30 3ibj h GLU 864 N -0.10 0.89 0.03 1.72 4.39 -1.11 0.73 114.58 121.13 3ibj h GLU 864 Ca 0.28 -0.05 -0.34 0.00 0.34 0.00 0.00 59.36 59.58 3ibj h GLU 864 Cb 0.57 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 3ibj h GLU 864 CO -0.78 0.59 -2.03 0.72 -1.16 0.00 0.00 179.01 176.35 3ibj n HIS 865 N -4.66 0.72 0.00 4.33 8.25 -0.39 -4.68 115.22 118.79 3ibj n HIS 865 Ca 0.13 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 3ibj n HIS 865 Cb 0.21 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.20 3ibj n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ibj n ILE 866 N -3.11 0.00 -0.28 1.59 2.08 0.28 -4.75 119.36 115.16 3ibj n ILE 866 Ca -0.28 0.09 0.09 0.00 0.56 0.00 0.00 62.75 63.21 3ibj n ILE 866 Cb 1.07 -0.94 0.23 0.00 -0.75 0.00 0.00 39.64 39.25 3ibj n ILE 866 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ibj h ALA 867 N -0.68 1.05 -0.06 -1.39 0.00 -1.56 -3.11 119.26 113.51 3ibj h ALA 867 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ibj h ALA 867 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ibj h ALA 867 CO 0.00 -0.43 -0.06 0.52 0.00 0.00 0.00 179.25 179.28 3ibj h MET 868 N 0.17 0.14 0.00 0.00 2.86 -1.09 -3.00 114.93 114.01 3ibj h MET 868 Ca 0.48 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 3ibj h MET 868 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3ibj h MET 868 CO -0.65 0.60 0.21 -1.35 1.06 0.00 0.00 176.91 176.77 3ibj h PRO 869 N -0.31 0.00 0.13 -0.22 0.11 -1.75 -1.41 132.00 128.56 3ibj h PRO 869 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3ibj h PRO 869 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3ibj h PRO 869 CO 0.01 0.00 -0.06 0.82 -0.21 0.00 0.00 178.00 178.56 3ibj h ILE 870 N 0.00 0.00 0.00 4.15 2.04 -1.55 -2.95 117.51 119.20 3ibj h ILE 870 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ibj h ILE 870 Cb 0.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3ibj h ILE 870 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 178.15 180.03 3ibj h TYR 871 N -0.51 0.00 -0.03 1.37 -1.99 -1.34 0.57 116.97 115.04 3ibj h TYR 871 Ca -0.02 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.52 3ibj h TYR 871 Cb 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 3ibj h TYR 871 CO 0.04 0.00 -0.81 -0.22 -0.00 0.00 0.00 178.16 177.17 3ibj h LYS 872 N 0.00 0.29 0.11 4.88 1.63 -1.37 -2.28 116.57 119.83 3ibj h LYS 872 Ca 0.00 -0.27 -0.27 0.00 -0.85 0.00 0.00 60.65 59.26 3ibj h LYS 872 Cb 0.01 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3ibj h LYS 872 CO 0.00 0.95 -1.20 -0.07 -3.45 0.00 0.00 179.45 175.68 3ibj h LEU 873 N 0.18 0.50 -1.26 5.20 3.38 0.20 -0.14 115.31 123.37 3ibj h LEU 873 Ca -0.04 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3ibj h LEU 873 Cb 1.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3ibj h LEU 873 CO 0.13 1.36 0.16 0.25 0.09 0.00 0.00 178.44 180.43 3ibj h LEU 874 N 0.12 0.61 -0.84 1.67 6.46 -0.85 0.03 115.31 122.51 3ibj h LEU 874 Ca -0.13 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3ibj h LEU 874 Cb 1.90 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.68 3ibj h LEU 874 CO 0.20 0.58 -0.17 1.67 -0.62 0.00 0.00 178.44 180.10 3ibj n GLN 875 N -4.34 1.29 -0.16 1.25 7.27 -0.86 -0.93 117.38 120.89 3ibj n GLN 875 Ca 0.03 -0.84 0.11 0.00 0.07 0.00 0.00 57.00 56.37 3ibj n GLN 875 Cb 0.17 -1.48 0.28 0.00 2.41 0.00 0.00 30.24 31.62 3ibj n GLN 875 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3ibj n ASP 876 N -0.12 2.67 0.00 1.69 9.92 -0.04 -4.02 116.55 126.65 3ibj n ASP 876 Ca 0.14 -1.89 0.00 0.00 -0.53 0.00 0.00 54.79 52.51 3ibj n ASP 876 Cb 0.39 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 3ibj n ASP 876 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ibj n LEU 877 N 0.97 0.51 -3.98 0.64 4.77 -1.00 -4.84 117.00 114.07 3ibj n LEU 877 Ca 0.18 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.85 3ibj n LEU 877 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 3ibj n LEU 877 CO 0.14 0.08 -0.43 -0.36 -1.33 0.00 0.00 177.39 175.49 3ibj s PHE 878 N -1.27 2.64 -0.19 -1.77 0.08 -0.11 -4.98 117.98 112.37 3ibj s PHE 878 Ca 0.00 -1.91 0.29 0.00 0.12 0.00 0.00 56.93 55.42 3ibj s PHE 878 Cb 0.00 -1.68 0.93 0.00 -0.57 0.00 0.00 43.02 41.71 3ibj s PHE 878 CO 0.00 -0.80 1.82 -1.35 -0.10 0.00 0.00 175.22 174.78 3ibj h PRO 879 N 7.90 0.00 0.00 0.24 0.11 -1.81 -1.42 132.00 137.02 3ibj h PRO 879 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ibj h PRO 879 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ibj h PRO 879 CO 0.43 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.09 3ibj h LYS 880 N 0.00 0.00 -0.61 1.05 1.57 -1.91 -2.38 116.57 114.29 3ibj h LYS 880 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ibj h LYS 880 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3ibj h LYS 880 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3ibj n ALA 881 N -1.81 2.74 0.06 3.86 0.00 -0.54 -3.99 120.51 120.83 3ibj n ALA 881 Ca 0.03 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 3ibj n ALA 881 Cb 0.30 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 3ibj n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ibj h ALA 882 N 2.95 0.11 -0.80 0.00 0.00 -1.55 -3.18 119.26 116.77 3ibj h ALA 882 Ca 0.00 -0.73 0.23 0.00 0.00 0.00 0.00 54.91 54.42 3ibj h ALA 882 Cb 0.69 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3ibj h ALA 882 CO 0.09 0.70 0.60 1.49 0.00 0.00 0.00 179.25 182.13 3ibj h GLU 883 N 0.34 0.00 -0.02 0.00 4.81 -1.82 -1.38 114.58 116.51 3ibj h GLU 883 Ca -0.14 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3ibj h GLU 883 Cb 1.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.14 3ibj h GLU 883 CO 0.21 0.00 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.22 3ibj h LEU 884 N 0.00 0.21 0.09 1.64 3.38 -1.84 -2.95 115.31 115.83 3ibj h LEU 884 Ca 0.38 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ibj h LEU 884 Cb 1.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3ibj h LEU 884 CO -0.00 0.90 -0.16 0.22 0.09 0.00 0.00 178.44 179.49 3ibj h TYR 885 N -0.47 -0.45 -1.09 1.13 -0.00 -1.29 -2.40 116.97 112.41 3ibj h TYR 885 Ca -0.02 0.01 0.30 0.00 -0.00 0.00 0.00 58.73 59.02 3ibj h TYR 885 Cb 0.92 0.18 -0.07 0.00 -0.00 0.00 0.00 36.73 37.77 3ibj h TYR 885 CO 0.16 -0.19 0.75 1.05 -0.00 0.00 0.00 178.16 179.94 3ibj h GLU 886 N -0.26 0.15 0.00 1.82 4.11 -1.59 0.24 114.58 119.05 3ibj h GLU 886 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3ibj h GLU 886 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ibj h GLU 886 CO -0.06 0.10 0.00 0.00 0.07 0.00 0.00 179.01 179.13 3ibj h ARG 887 N 0.16 0.00 0.00 1.06 2.47 -1.26 0.14 114.38 116.95 3ibj h ARG 887 Ca 0.56 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.99 3ibj h ARG 887 Cb 1.89 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.17 3ibj h ARG 887 CO -0.13 0.00 -1.59 0.28 0.56 0.00 0.00 179.97 179.10 3ibj n VAL 888 N -2.71 1.53 -0.35 2.04 0.31 0.67 -2.84 118.33 116.98 3ibj n VAL 888 Ca 0.02 -0.12 0.13 0.00 -0.01 0.00 0.00 64.34 64.36 3ibj n VAL 888 Cb 0.30 -2.00 0.33 0.00 -0.91 0.00 0.00 33.84 31.55 3ibj n VAL 888 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ibj h ALA 889 N -0.62 1.68 0.20 3.52 0.00 -0.95 0.39 119.26 123.48 3ibj h ALA 889 Ca -0.44 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3ibj h ALA 889 Cb 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ibj h ALA 889 CO -0.27 -0.07 -0.10 1.03 0.00 0.00 0.00 179.25 179.85 3ibj h SER 890 N 0.75 -0.23 -0.88 0.00 0.87 -0.88 -2.85 113.55 110.33 3ibj h SER 890 Ca 0.59 -0.30 0.15 0.00 -1.23 0.00 0.00 61.79 61.00 3ibj h SER 890 Cb 0.92 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.87 3ibj h SER 890 CO -0.39 0.24 0.57 0.78 -0.53 0.00 0.00 176.83 177.50 3ibj h ASN 891 N -0.77 0.62 -0.78 6.23 4.21 -1.22 0.39 115.58 124.26 3ibj h ASN 891 Ca -0.03 0.04 0.14 0.00 1.21 0.00 0.00 56.30 57.66 3ibj h ASN 891 Cb 0.51 -0.08 -0.09 0.00 -1.12 0.00 0.00 38.32 37.53 3ibj h ASN 891 CO 0.05 0.31 0.35 -0.09 -1.29 0.00 0.00 177.43 176.75 3ibj h ARG 892 N 0.65 0.49 -0.54 0.81 1.12 -0.12 -2.25 114.38 114.55 3ibj h ARG 892 Ca 0.44 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 59.23 3ibj h ARG 892 Cb 0.75 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.58 3ibj h ARG 892 CO -0.20 0.33 0.15 1.49 -3.11 0.00 0.00 179.97 178.63 3ibj h GLU 893 N 0.51 0.85 -0.10 0.20 4.57 0.01 -1.85 114.58 118.77 3ibj h GLU 893 Ca 0.43 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3ibj h GLU 893 Cb 0.63 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3ibj h GLU 893 CO -0.38 0.79 0.00 0.45 -1.18 0.00 0.00 179.01 178.69 3ibj h HIS 894 N 0.75 -0.00 -0.91 0.92 3.86 -1.14 -0.96 115.15 117.67 3ibj h HIS 894 Ca 0.17 0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.56 3ibj h HIS 894 Cb 0.31 0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.72 3ibj h HIS 894 CO 0.02 -0.01 0.59 -1.49 0.86 0.00 0.00 177.93 177.90 3ibj h TRP 895 N 0.04 0.77 -0.72 2.45 -0.00 -1.27 0.16 115.95 117.38 3ibj h TRP 895 Ca 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 3ibj h TRP 895 Cb 0.05 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 28.94 3ibj h TRP 895 CO -0.13 0.24 0.38 1.15 -0.00 0.00 0.00 178.44 180.08 3ibj h THR 896 N 0.62 1.23 -0.35 1.49 2.02 -0.34 -2.02 112.91 115.55 3ibj h THR 896 Ca 0.47 -0.59 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 3ibj h THR 896 Cb 0.88 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3ibj h THR 896 CO -0.22 0.26 -0.39 0.11 0.37 0.00 0.00 175.52 175.65 3ibj h LYS 897 N 1.00 0.85 0.00 6.66 1.57 0.04 -2.54 116.57 124.15 3ibj h LYS 897 Ca 0.25 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3ibj h LYS 897 Cb 0.07 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3ibj h LYS 897 CO -0.04 1.08 -0.08 -0.39 -0.57 0.00 0.00 179.45 179.45 3ibj h VAL 898 N 0.69 0.37 -0.36 0.50 -1.51 -0.89 -2.17 116.25 112.88 3ibj h VAL 898 Ca 0.06 -0.46 -0.13 0.00 -1.23 0.00 0.00 66.70 64.93 3ibj h VAL 898 Cb 0.96 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 3ibj h VAL 898 CO 0.09 0.08 -0.31 0.77 -1.23 0.00 0.00 177.57 176.98 3ibj h SER 899 N 0.00 0.82 0.00 4.19 4.64 -0.93 -3.49 113.55 118.78 3ibj h SER 899 Ca -0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3ibj h SER 899 Cb 0.33 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3ibj h SER 899 CO 0.01 1.06 0.00 1.41 -0.87 0.00 0.00 176.83 178.44