#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwy n MET 230 N 0.00 0.54 -2.67 -0.67 0.00 -1.26 -4.92 117.12 108.13 3kwy n MET 230 Ca 0.00 -3.43 -0.42 0.00 -0.00 0.00 0.00 57.70 53.85 3kwy n MET 230 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 33.22 31.43 3kwy n MET 230 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3kwy s PRO 231 N -0.32 4.48 0.62 2.12 0.05 -1.26 -4.73 135.00 135.95 3kwy s PRO 231 Ca 0.32 1.44 0.35 0.00 0.05 0.00 0.00 61.00 63.15 3kwy s PRO 231 Cb 0.03 -3.50 2.02 0.00 0.05 0.00 0.00 34.50 33.11 3kwy s PRO 231 CO -0.19 -0.21 2.29 -0.39 0.05 0.00 0.00 177.00 178.55 3kwy h VAL 232 N 4.94 0.35 -0.76 -0.36 -1.51 -1.97 -1.96 116.25 114.99 3kwy h VAL 232 Ca -0.36 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 3kwy h VAL 232 Cb 1.18 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 31.30 3kwy h VAL 232 CO 0.81 0.00 0.43 -0.33 -1.23 0.00 0.00 177.57 177.25 3kwy h GLU 233 N 0.00 1.05 -0.47 5.19 3.07 -1.99 -0.51 114.58 120.92 3kwy h GLU 233 Ca 0.00 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 58.63 3kwy h GLU 233 Cb 0.02 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 3kwy h GLU 233 CO -0.00 0.77 -0.16 0.00 -1.40 0.00 0.00 179.01 178.22 3kwy h ARG 234 N 1.04 0.93 -0.59 2.33 2.47 -1.76 -1.42 114.38 117.40 3kwy h ARG 234 Ca 0.27 -0.38 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 3kwy h ARG 234 Cb 0.02 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3kwy h ARG 234 CO -0.04 1.04 0.32 0.82 0.56 0.00 0.00 179.97 182.67 3kwy h ILE 235 N 0.78 1.19 -0.08 2.04 2.04 -1.44 -0.08 117.51 121.95 3kwy h ILE 235 Ca 0.11 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3kwy h ILE 235 Cb 0.72 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3kwy h ILE 235 CO 0.06 0.21 -0.04 0.25 0.00 0.00 0.00 178.15 178.62 3kwy h LEU 236 N 0.79 -0.13 -0.82 1.44 6.46 -1.01 -2.45 115.31 119.60 3kwy h LEU 236 Ca 0.21 0.03 0.15 0.00 -0.12 0.00 0.00 57.88 58.15 3kwy h LEU 236 Cb 0.04 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 39.95 3kwy h LEU 236 CO -0.03 -0.05 0.37 -0.33 -0.62 0.00 0.00 178.44 177.78 3kwy h GLU 237 N -0.03 0.50 -0.49 1.25 5.08 -0.82 -0.74 114.58 119.34 3kwy h GLU 237 Ca 0.05 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3kwy h GLU 237 Cb 0.10 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3kwy h GLU 237 CO -0.10 0.33 0.26 0.00 -1.00 0.00 0.00 179.01 178.50 3kwy h ALA 238 N 1.57 0.63 -0.27 3.43 0.00 -0.67 -0.71 119.26 123.24 3kwy h ALA 238 Ca 0.46 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3kwy h ALA 238 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3kwy h ALA 238 CO -0.40 -0.08 0.09 0.93 0.00 0.00 0.00 179.25 179.79 3kwy h GLU 239 N 0.51 0.42 0.00 0.00 4.39 -0.74 -3.03 114.58 116.13 3kwy h GLU 239 Ca 0.21 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 3kwy h GLU 239 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3kwy h GLU 239 CO -0.13 0.48 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.83 3kwy h LEU 240 N 0.28 0.00 -1.37 1.33 3.38 -0.99 -2.66 115.31 115.28 3kwy h LEU 240 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kwy h LEU 240 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kwy h LEU 240 CO -0.00 0.30 -0.27 0.00 0.09 0.00 0.00 178.44 178.55 3kwy h ALA 241 N 1.70 1.20 0.00 1.53 0.00 -1.01 -3.24 119.26 119.45 3kwy h ALA 241 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kwy h ALA 241 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kwy h ALA 241 CO 0.04 0.34 -1.21 1.33 0.00 0.00 0.00 179.25 179.74 3kwy n VAL 242 N -3.70 0.00 -1.47 0.00 0.24 -1.02 -4.99 118.33 107.39 3kwy n VAL 242 Ca -0.01 -0.18 -0.52 0.00 -2.04 0.00 0.00 64.34 61.58 3kwy n VAL 242 Cb 0.38 0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 3kwy n VAL 242 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kwy n GLU 243 N -1.68 0.21 0.00 7.34 1.02 -1.11 -5.11 120.64 121.31 3kwy n GLU 243 Ca 0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3kwy n GLU 243 Cb 0.36 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3kwy n GLU 243 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3kwy n PRO 244 N 1.31 0.00 -0.30 3.49 -0.04 -1.26 -5.10 135.00 133.09 3kwy n PRO 244 Ca 0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 3kwy n PRO 244 Cb 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 3kwy n PRO 244 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kwy n ASP 263 N 0.00 -0.81 0.18 3.54 5.75 -1.26 -5.12 116.55 118.83 3kwy n ASP 263 Ca 0.00 0.17 0.07 0.00 -0.01 0.00 0.00 54.79 55.02 3kwy n ASP 263 Cb 0.00 -0.20 0.58 0.00 -1.03 0.00 0.00 41.12 40.46 3kwy n ASP 263 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3kwy h PRO 264 N 0.03 0.16 -0.64 0.11 0.11 -1.98 -1.78 132.00 128.00 3kwy h PRO 264 Ca -0.09 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 3kwy h PRO 264 Cb 0.34 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3kwy h PRO 264 CO 0.10 0.10 0.04 0.28 -0.21 0.00 0.00 178.00 178.32 3kwy h VAL 265 N 0.16 1.27 -0.24 3.15 2.07 -1.97 -0.45 116.25 120.24 3kwy h VAL 265 Ca 0.05 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3kwy h VAL 265 Cb -0.01 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3kwy h VAL 265 CO -0.01 0.41 0.10 0.74 0.02 0.00 0.00 177.57 178.83 3kwy h THR 266 N 1.01 0.97 -0.51 2.57 2.02 -1.77 -1.84 112.91 115.37 3kwy h THR 266 Ca 0.19 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3kwy h THR 266 Cb 0.52 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3kwy h THR 266 CO 0.02 0.04 0.24 0.78 0.37 0.00 0.00 175.52 176.98 3kwy h ASN 267 N 0.23 0.67 -0.75 4.18 2.35 -1.36 -1.01 115.58 119.88 3kwy h ASN 267 Ca 0.10 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3kwy h ASN 267 Cb 0.05 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 3kwy h ASN 267 CO -0.08 0.61 0.46 0.40 -1.65 0.00 0.00 177.43 177.16 3kwy h ILE 268 N 0.68 1.04 -0.20 2.81 2.04 -1.04 -2.17 117.51 120.68 3kwy h ILE 268 Ca 0.18 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3kwy h ILE 268 Cb 0.12 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3kwy h ILE 268 CO -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 178.15 178.24 3kwy h GLN 270 N 0.10 0.19 -0.78 0.00 4.20 -1.15 -1.02 115.11 116.66 3kwy h GLN 270 Ca 0.05 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3kwy h GLN 270 Cb 0.49 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 3kwy h GLN 270 CO 0.02 0.13 0.49 0.00 -0.67 0.00 0.00 178.83 178.79 3kwy h ALA 271 N 1.15 1.03 -0.29 3.87 0.00 -1.38 -2.31 119.26 121.33 3kwy h ALA 271 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kwy h ALA 271 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kwy h ALA 271 CO -0.10 0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.51 3kwy h ALA 272 N 1.34 0.38 -0.28 0.00 0.00 -0.65 -1.19 119.26 118.87 3kwy h ALA 272 Ca 0.32 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kwy h ALA 272 Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3kwy h ALA 272 CO -0.13 0.00 -0.13 0.22 0.00 0.00 0.00 179.25 179.22 3kwy h ASP 273 N 0.32 -0.43 -0.85 0.00 3.58 -1.00 -1.28 116.42 116.76 3kwy h ASP 273 Ca 0.10 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.71 3kwy h ASP 273 Cb 0.22 0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 3kwy h ASP 273 CO -0.00 -0.16 0.56 0.50 -2.88 0.00 0.00 179.24 177.25 3kwy h LYS 274 N -0.09 0.95 0.00 0.28 3.64 -1.28 -2.58 116.57 117.50 3kwy h LYS 274 Ca 0.14 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3kwy h LYS 274 Cb 0.30 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3kwy h LYS 274 CO -0.33 0.63 -0.17 1.96 -2.27 0.00 0.00 179.45 179.26 3kwy h GLN 275 N 0.98 0.00 -0.92 1.90 1.08 -0.37 -3.10 115.11 114.68 3kwy h GLN 275 Ca 0.36 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.59 3kwy h GLN 275 Cb 0.17 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 3kwy h GLN 275 CO -0.13 0.17 0.60 -0.07 -0.95 0.00 0.00 178.83 178.46 3kwy h LEU 276 N 0.00 1.00 -0.24 1.46 3.38 -0.84 0.21 115.31 120.28 3kwy h LEU 276 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kwy h LEU 276 Cb 0.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3kwy h LEU 276 CO 0.02 0.69 0.05 -0.26 0.09 0.00 0.00 178.44 179.03 3kwy h PHE 277 N 1.16 0.42 -0.93 1.13 0.04 -1.62 -2.74 116.94 114.40 3kwy h PHE 277 Ca 0.36 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 61.09 3kwy h PHE 277 Cb 0.00 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 3kwy h PHE 277 CO -0.00 0.50 0.61 1.15 -0.60 0.00 0.00 178.31 179.97 3kwy h THR 278 N 0.22 1.24 -0.76 -1.55 2.02 -1.56 -2.90 112.91 109.62 3kwy h THR 278 Ca 0.08 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 66.89 3kwy h THR 278 Cb 0.29 -0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.51 3kwy h THR 278 CO 0.00 0.24 0.42 0.25 0.37 0.00 0.00 175.52 176.80 3kwy h LEU 279 N 1.27 0.60 -0.42 2.58 5.85 -0.30 0.03 115.31 124.93 3kwy h LEU 279 Ca 0.34 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3kwy h LEU 279 Cb -0.14 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3kwy h LEU 279 CO -0.07 0.36 0.27 0.58 -0.34 0.00 0.00 178.44 179.24 3kwy h VAL 280 N 0.73 1.12 -0.73 1.05 2.07 -1.31 -0.53 116.25 118.66 3kwy h VAL 280 Ca 0.36 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 3kwy h VAL 280 Cb 0.30 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3kwy h VAL 280 CO -0.23 0.12 0.30 -0.33 0.02 0.00 0.00 177.57 177.45 3kwy h GLU 281 N 0.56 1.08 0.13 1.57 4.39 -1.20 -2.62 114.58 118.49 3kwy h GLU 281 Ca 0.15 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kwy h GLU 281 Cb -0.03 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3kwy h GLU 281 CO -0.03 0.88 -0.08 2.35 -1.16 0.00 0.00 179.01 180.97 3kwy h TRP 282 N 1.04 -0.21 -0.83 4.33 7.01 -0.80 -3.13 115.95 123.36 3kwy h TRP 282 Ca 0.24 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.38 3kwy h TRP 282 Cb 0.20 0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.27 3kwy h TRP 282 CO 0.02 -0.13 0.54 0.00 -2.79 0.00 0.00 178.44 176.08 3kwy h ALA 283 N 0.66 1.93 0.00 2.65 0.00 -0.92 -1.38 119.26 122.19 3kwy h ALA 283 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kwy h ALA 283 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kwy h ALA 283 CO 0.01 -0.15 0.00 0.87 0.00 0.00 0.00 179.25 179.98 3kwy h LYS 284 N 0.59 0.00 -0.00 0.00 1.57 -1.42 -2.70 116.57 114.61 3kwy h LYS 284 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3kwy h LYS 284 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3kwy h LYS 284 CO -0.16 0.00 -0.48 0.54 -0.57 0.00 0.00 179.45 178.77 3kwy n ARG 285 N -2.97 0.08 -2.76 3.15 1.74 -0.53 -4.69 116.66 110.68 3kwy n ARG 285 Ca 0.01 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.62 3kwy n ARG 285 Cb 0.33 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3kwy n ARG 285 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kwy s ILE 286 N -2.95 4.81 0.25 0.55 -1.09 -1.02 -4.77 121.20 116.98 3kwy s ILE 286 Ca 0.12 1.88 -0.30 0.00 -2.23 0.00 0.00 60.65 60.12 3kwy s ILE 286 Cb 0.18 -4.25 -0.14 0.00 -1.58 0.00 0.00 42.46 36.67 3kwy s ILE 286 CO 0.68 -0.01 1.24 -2.65 -1.23 0.00 0.00 174.94 172.97 3kwy n PRO 287 N 5.27 1.69 -0.22 2.79 -0.02 -1.26 -2.31 135.00 140.94 3kwy n PRO 287 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kwy n PRO 287 Cb 0.48 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3kwy n PRO 287 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kwy n HIS 288 N 1.21 0.00 -0.07 6.00 8.25 -1.26 -4.89 115.22 124.45 3kwy n HIS 288 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 3kwy n HIS 288 Cb 0.31 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 3kwy n HIS 288 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kwy h PHE 289 N 0.00 0.47 0.00 4.41 3.57 -1.74 -2.93 116.94 120.72 3kwy h PHE 289 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3kwy h PHE 289 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3kwy h PHE 289 CO 0.00 0.67 0.00 0.43 -2.23 0.00 0.00 178.31 177.18 3kwy n SER 290 N -4.59 0.60 0.12 0.41 7.64 -1.26 -2.19 113.62 114.34 3kwy n SER 290 Ca -0.04 0.69 0.12 0.00 1.01 0.00 0.00 58.87 60.65 3kwy n SER 290 Cb 0.29 -0.80 0.16 0.00 -1.01 0.00 0.00 64.21 62.85 3kwy n SER 290 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3kwy h GLU 291 N 0.00 0.00 -7.10 1.43 4.39 -1.91 -3.47 114.58 107.93 3kwy h GLU 291 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 3kwy h GLU 291 Cb 0.23 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.01 3kwy h GLU 291 CO 0.00 0.00 0.50 -0.51 -1.16 0.00 0.00 179.01 177.84 3kwy s LEU 292 N -5.04 3.65 0.33 1.33 1.43 -0.93 -4.96 118.68 114.49 3kwy s LEU 292 Ca 0.05 2.51 -0.29 0.00 -1.03 0.00 0.00 54.13 55.38 3kwy s LEU 292 Cb 0.10 -4.58 -0.12 0.00 0.03 0.00 0.00 46.19 41.62 3kwy s LEU 292 CO 0.71 -1.75 1.33 -2.65 0.23 0.00 0.00 176.35 174.21 3kwy n PRO 293 N -1.66 2.15 -0.34 1.29 -0.02 -1.26 -4.76 135.00 130.40 3kwy n PRO 293 Ca 0.14 0.76 0.20 0.00 -2.02 0.00 0.00 63.50 62.58 3kwy n PRO 293 Cb 0.49 -2.36 0.42 0.00 -0.02 0.00 0.00 33.50 32.02 3kwy n PRO 293 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kwy h LEU 294 N 2.90 0.61 -1.04 2.45 5.85 -1.93 0.13 115.31 124.28 3kwy h LEU 294 Ca -0.46 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3kwy h LEU 294 Cb 1.28 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3kwy h LEU 294 CO 0.65 0.05 -0.03 0.44 -0.34 0.00 0.00 178.44 179.21 3kwy h ASP 295 N 0.51 0.62 -0.23 1.25 3.32 -2.00 -2.22 116.42 117.66 3kwy h ASP 295 Ca 0.66 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 57.40 3kwy h ASP 295 Cb 1.36 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3kwy h ASP 295 CO -0.48 0.71 -0.49 0.44 -1.72 0.00 0.00 179.24 177.71 3kwy h ASP 296 N 0.61 0.83 -0.64 6.45 3.32 -1.12 -2.21 116.42 123.65 3kwy h ASP 296 Ca 0.12 -0.55 0.08 0.00 0.02 0.00 0.00 57.03 56.70 3kwy h ASP 296 Cb 0.43 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3kwy h ASP 296 CO 0.02 1.23 0.30 1.56 -1.72 0.00 0.00 179.24 180.63 3kwy h GLN 297 N 0.46 0.52 -0.06 3.56 4.20 -1.24 0.01 115.11 122.56 3kwy h GLN 297 Ca 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kwy h GLN 297 Cb 1.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3kwy h GLN 297 CO 0.11 0.34 -0.02 0.28 -0.67 0.00 0.00 178.83 178.87 3kwy h VAL 298 N 0.54 0.92 -0.36 -0.54 2.07 -1.35 -2.13 116.25 115.40 3kwy h VAL 298 Ca 0.31 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.87 3kwy h VAL 298 Cb 0.31 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3kwy h VAL 298 CO -0.25 0.00 0.14 0.40 0.02 0.00 0.00 177.57 177.88 3kwy h ILE 299 N -0.02 0.92 -0.70 4.57 2.04 -0.74 -1.42 117.51 122.17 3kwy h ILE 299 Ca 0.03 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 3kwy h ILE 299 Cb 0.06 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3kwy h ILE 299 CO -0.07 0.06 0.22 -0.07 0.00 0.00 0.00 178.15 178.29 3kwy h LEU 300 N 0.31 1.01 -0.09 1.44 3.38 -0.94 -1.29 115.31 119.13 3kwy h LEU 300 Ca 0.16 -0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3kwy h LEU 300 Cb 0.12 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kwy h LEU 300 CO -0.15 0.93 -0.88 -0.07 0.09 0.00 0.00 178.44 178.36 3kwy h LEU 301 N 1.04 0.92 -1.43 1.67 3.38 -1.16 -1.78 115.31 117.95 3kwy h LEU 301 Ca 0.23 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 3kwy h LEU 301 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kwy h LEU 301 CO -0.01 1.46 -0.12 0.03 0.09 0.00 0.00 178.44 179.89 3kwy h ARG 302 N 0.46 0.22 0.07 1.13 3.08 -1.20 -1.21 114.38 116.93 3kwy h ARG 302 Ca -0.09 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.68 3kwy h ARG 302 Cb 1.52 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 3kwy h ARG 302 CO 0.18 0.36 -1.10 0.00 -1.07 0.00 0.00 179.97 178.34 3kwy h ALA 303 N 1.67 0.25 0.00 0.04 0.00 -1.21 -3.40 119.26 116.61 3kwy h ALA 303 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3kwy h ALA 303 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kwy h ALA 303 CO 0.02 1.04 -0.98 0.41 0.00 0.00 0.00 179.25 179.73 3kwy n GLY 304 N 1.34 -0.57 0.26 0.00 0.00 -0.67 -4.75 105.19 100.80 3kwy n GLY 304 Ca -0.05 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.56 3kwy n GLY 304 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3kwy h TRP 305 N 0.00 0.48 -0.38 1.61 5.08 -1.43 -2.01 115.95 119.30 3kwy h TRP 305 Ca 0.00 0.03 -0.14 0.00 1.08 0.00 0.00 58.89 59.86 3kwy h TRP 305 Cb 0.46 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.51 3kwy h TRP 305 CO 0.00 0.09 -0.34 -2.95 -1.28 0.00 0.00 178.44 173.96 3kwy h ASN 306 N 0.45 0.90 -0.26 0.11 -1.07 -1.86 -1.51 115.58 112.34 3kwy h ASN 306 Ca 0.38 -0.39 -0.12 0.00 0.07 0.00 0.00 56.30 56.24 3kwy h ASN 306 Cb 0.53 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.52 3kwy h ASN 306 CO -0.37 1.15 -0.27 -0.33 0.07 0.00 0.00 177.43 177.68 3kwy h GLU 307 N 0.71 0.75 -0.70 4.14 5.08 -1.82 -1.92 114.58 120.82 3kwy h GLU 307 Ca 0.07 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 3kwy h GLU 307 Cb 0.90 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3kwy h GLU 307 CO 0.08 0.94 0.27 -0.07 -1.00 0.00 0.00 179.01 179.23 3kwy h LEU 308 N 0.65 0.98 -0.30 1.33 3.38 -1.19 -1.34 115.31 118.81 3kwy h LEU 308 Ca 0.08 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3kwy h LEU 308 Cb 0.79 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kwy h LEU 308 CO 0.07 0.89 -0.20 -0.07 0.09 0.00 0.00 178.44 179.22 3kwy h LEU 309 N 1.01 0.70 -0.56 1.67 3.38 -1.24 -2.84 115.31 117.43 3kwy h LEU 309 Ca 0.23 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kwy h LEU 309 Cb 0.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kwy h LEU 309 CO -0.02 0.98 0.36 0.40 0.09 0.00 0.00 178.44 180.25 3kwy h ILE 310 N 0.42 1.15 -0.75 1.22 2.04 -1.28 -2.08 117.51 118.24 3kwy h ILE 310 Ca 0.06 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3kwy h ILE 310 Cb 0.74 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 3kwy h ILE 310 CO 0.05 0.15 0.43 0.00 0.00 0.00 0.00 178.15 178.78 3kwy h ALA 311 N 1.19 1.02 -0.09 1.87 0.00 -1.23 -1.93 119.26 120.09 3kwy h ALA 311 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kwy h ALA 311 Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kwy h ALA 311 CO -0.04 0.12 0.00 0.77 0.00 0.00 0.00 179.25 180.09 3kwy h SER 312 N 0.78 0.15 0.78 0.00 0.02 -1.28 -2.49 113.55 111.52 3kwy h SER 312 Ca 0.34 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 3kwy h SER 312 Cb 0.22 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3kwy h SER 312 CO -0.19 0.43 -0.44 2.19 -1.14 0.00 0.00 176.83 177.68 3kwy h PHE 313 N -0.12 0.00 -0.02 3.45 -5.15 -1.28 -1.58 116.94 112.24 3kwy h PHE 313 Ca 0.03 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3kwy h PHE 313 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.52 3kwy h PHE 313 CO 0.03 0.44 0.00 0.77 -2.00 0.00 0.00 178.31 177.55 3kwy h SER 314 N 0.00 0.03 -0.17 -0.68 0.02 -1.36 -2.78 113.55 108.61 3kwy h SER 314 Ca -0.00 -0.24 -0.11 0.00 -0.84 0.00 0.00 61.79 60.60 3kwy h SER 314 Cb 0.95 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 3kwy h SER 314 CO 0.06 0.26 -0.26 -0.74 -1.14 0.00 0.00 176.83 175.01 3kwy h HIS 315 N -0.20 0.72 -0.18 3.45 -0.00 -1.39 -2.27 115.15 115.28 3kwy h HIS 315 Ca 0.01 -0.17 0.05 0.00 -0.00 0.00 0.00 60.37 60.26 3kwy h HIS 315 Cb 0.24 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 3kwy h HIS 315 CO 0.01 0.84 0.16 -0.09 -0.00 0.00 0.00 177.93 178.84 3kwy h ARG 316 N 0.55 0.00 -0.50 5.26 2.43 -1.30 -3.13 114.38 117.69 3kwy h ARG 316 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3kwy h ARG 316 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3kwy h ARG 316 CO 0.06 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 178.95 3kwy n SER 317 N -4.15 3.10 0.23 -3.80 7.64 -0.85 -4.62 113.62 111.18 3kwy n SER 317 Ca 0.01 -1.96 0.09 0.00 1.01 0.00 0.00 58.87 58.02 3kwy n SER 317 Cb 0.29 -0.33 0.57 0.00 -1.01 0.00 0.00 64.21 63.73 3kwy n SER 317 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3kwy h ILE 318 N 3.62 0.78 -0.44 0.44 3.07 -1.58 -1.16 117.51 122.24 3kwy h ILE 318 Ca 0.00 -0.83 0.00 0.00 1.55 0.00 0.00 64.86 65.58 3kwy h ILE 318 Cb 0.82 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 3kwy h ILE 318 CO 0.00 0.20 0.00 0.00 -1.05 0.00 0.00 178.15 177.30 3kwy n ALA 319 N -2.33 2.47 -2.75 0.16 0.00 -1.26 -4.84 120.51 111.95 3kwy n ALA 319 Ca -0.02 -0.80 -0.35 0.00 0.00 0.00 0.00 53.44 52.27 3kwy n ALA 319 Cb 0.32 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 3kwy n ALA 319 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kwy s VAL 320 N -1.43 5.38 -0.23 0.00 1.01 -0.44 -5.07 120.40 119.62 3kwy s VAL 320 Ca 0.30 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 3kwy s VAL 320 Cb 0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3kwy s VAL 320 CO 0.20 0.46 0.82 -0.75 0.00 0.00 0.00 175.10 175.83 3kwy s LYS 321 N 0.19 4.20 -1.46 2.72 2.20 -1.26 -4.36 119.74 121.97 3kwy s LYS 321 Ca 0.09 0.94 -0.12 0.00 -0.36 0.00 0.00 55.97 56.52 3kwy s LYS 321 Cb -0.11 -3.63 0.08 0.00 -1.51 0.00 0.00 37.83 32.65 3kwy s LYS 321 CO -0.01 -0.49 0.73 -0.25 -0.36 0.00 0.00 175.35 174.97 3kwy n ASP 322 N 5.89 -4.39 -2.89 1.43 10.43 -1.26 -4.91 116.55 120.84 3kwy n ASP 322 Ca 0.05 -0.59 -0.09 0.00 2.57 0.00 0.00 54.79 56.73 3kwy n ASP 322 Cb 0.48 -3.56 0.03 0.00 1.84 0.00 0.00 41.12 39.90 3kwy n ASP 322 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3kwy s GLY 323 N -3.00 0.38 -0.05 0.44 0.00 -1.26 -0.80 107.32 103.04 3kwy s GLY 323 Ca 0.53 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.52 3kwy s GLY 323 CO 0.65 -0.25 -0.13 -0.42 0.00 0.00 0.00 173.10 172.95 3kwy s ILE 324 N -2.23 1.17 -0.42 0.90 1.01 0.53 -4.85 121.20 117.30 3kwy s ILE 324 Ca 0.16 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 3kwy s ILE 324 Cb -0.05 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.40 3kwy s ILE 324 CO 0.11 0.35 0.72 -0.22 0.00 0.00 0.00 174.94 175.91 3kwy s LEU 325 N 0.41 4.31 0.50 2.97 2.96 -1.26 -0.91 118.68 127.65 3kwy s LEU 325 Ca -0.10 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.58 3kwy s LEU 325 Cb -0.13 -2.88 -0.08 0.00 0.50 0.00 0.00 46.19 43.60 3kwy s LEU 325 CO 0.03 -0.80 0.96 -0.76 -1.32 0.00 0.00 176.35 174.46 3kwy s LEU 326 N 3.05 3.65 0.48 -0.68 1.43 -0.46 -4.73 118.68 121.41 3kwy s LEU 326 Ca 0.27 1.53 0.33 0.00 -1.03 0.00 0.00 54.13 55.23 3kwy s LEU 326 Cb -0.13 -4.46 1.59 0.00 0.03 0.00 0.00 46.19 43.22 3kwy s LEU 326 CO 0.20 -0.57 1.99 0.00 0.23 0.00 0.00 176.35 178.20 3kwy h ALA 327 N 0.96 1.00 0.00 4.21 0.00 -1.91 -1.52 119.26 121.99 3kwy h ALA 327 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kwy h ALA 327 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kwy h ALA 327 CO 0.62 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.12 3kwy n THR 328 N -2.74 0.15 -0.01 0.00 -2.24 -1.26 -4.89 114.28 103.29 3kwy n THR 328 Ca -0.01 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3kwy n THR 328 Cb 0.16 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 3kwy n THR 328 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwy n GLY 329 N 0.91 0.64 3.72 3.38 0.00 -0.57 -5.07 105.19 108.20 3kwy n GLY 329 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3kwy n GLY 329 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kwy s LEU 330 N 0.00 4.33 -0.11 0.99 2.96 -1.25 -4.87 118.68 120.72 3kwy s LEU 330 Ca 0.00 1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 54.96 3kwy s LEU 330 Cb 0.00 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 3kwy s LEU 330 CO 0.00 -0.11 0.55 -1.00 -1.32 0.00 0.00 176.35 174.47 3kwy s HIS 331 N 0.73 3.51 -0.25 5.38 3.76 -1.26 -1.36 115.29 125.80 3kwy s HIS 331 Ca 0.39 0.98 -0.06 0.00 -0.15 0.00 0.00 55.06 56.22 3kwy s HIS 331 Cb -0.18 -2.64 -0.01 0.00 1.11 0.00 0.00 32.58 30.86 3kwy s HIS 331 CO 0.19 0.11 0.04 0.08 -0.85 0.00 0.00 174.74 174.31 3kwy s VAL 332 N 0.81 3.89 0.28 -0.90 1.01 -0.09 -4.95 120.40 120.45 3kwy s VAL 332 Ca 0.29 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3kwy s VAL 332 Cb -0.16 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 3kwy s VAL 332 CO 0.12 0.29 0.57 -2.28 0.00 0.00 0.00 175.10 173.80 3kwy s HIS 333 N 1.53 3.46 0.06 5.22 5.04 -1.26 -0.35 115.29 129.00 3kwy s HIS 333 Ca 0.05 0.74 -0.12 0.00 -1.54 0.00 0.00 55.06 54.20 3kwy s HIS 333 Cb -0.15 -2.18 -0.03 0.00 0.04 0.00 0.00 32.58 30.26 3kwy s HIS 333 CO 0.01 0.18 0.67 0.54 -2.34 0.00 0.00 174.74 173.79 3kwy n ARG 334 N -0.72 -0.17 -0.21 2.88 1.74 0.02 -1.61 116.66 118.59 3kwy n ARG 334 Ca -0.01 0.65 -0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3kwy n ARG 334 Cb 0.53 -0.96 0.23 0.00 -1.02 0.00 0.00 32.46 31.24 3kwy n ARG 334 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3kwy h ASN 335 N 0.00 0.87 -0.54 0.55 2.35 -1.95 0.18 115.58 117.03 3kwy h ASN 335 Ca 0.06 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3kwy h ASN 335 Cb 0.15 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3kwy h ASN 335 CO -0.35 0.66 0.17 -1.28 -1.65 0.00 0.00 177.43 174.98 3kwy h SER 336 N 1.00 0.79 -0.35 5.81 0.87 -1.70 -1.30 113.55 118.67 3kwy h SER 336 Ca 0.26 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 3kwy h SER 336 Cb -0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3kwy h SER 336 CO -0.05 0.79 -0.20 0.00 -0.53 0.00 0.00 176.83 176.84 3kwy h ALA 337 N 1.03 0.50 -0.55 6.23 0.00 -0.76 -2.77 119.26 122.94 3kwy h ALA 337 Ca 0.18 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kwy h ALA 337 Cb 0.28 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3kwy h ALA 337 CO -0.01 0.45 0.18 1.25 0.00 0.00 0.00 179.25 181.12 3kwy h HIS 338 N 0.54 0.31 -0.00 0.00 6.17 -0.61 -2.03 115.15 119.53 3kwy h HIS 338 Ca 0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3kwy h HIS 338 Cb 0.75 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.62 3kwy h HIS 338 CO 0.06 0.07 -0.00 -1.13 0.71 0.00 0.00 177.93 177.64 3kwy n SER 339 N -5.03 0.01 -0.84 3.26 3.41 -0.50 -2.31 113.62 111.63 3kwy n SER 339 Ca 0.07 -0.59 0.12 0.00 -0.26 0.00 0.00 58.87 58.21 3kwy n SER 339 Cb 0.24 -0.14 0.26 0.00 -0.26 0.00 0.00 64.21 64.32 3kwy n SER 339 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwy n ALA 340 N -1.13 2.49 -0.80 7.33 0.00 -0.99 -4.96 120.51 122.44 3kwy n ALA 340 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3kwy n ALA 340 Cb 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3kwy n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwy n GLY 341 N 1.32 0.67 0.95 0.00 0.00 -0.98 -4.95 105.19 102.19 3kwy n GLY 341 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3kwy n GLY 341 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kwy n VAL 342 N -2.62 2.39 -0.16 1.61 0.24 -0.80 -4.81 118.33 114.18 3kwy n VAL 342 Ca 0.00 -2.46 -0.03 0.00 -2.04 0.00 0.00 64.34 59.80 3kwy n VAL 342 Cb 0.00 -0.29 0.17 0.00 -1.47 0.00 0.00 33.84 32.25 3kwy n VAL 342 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3kwy h GLY 343 N 1.14 0.97 0.82 7.63 0.00 -1.71 -2.80 103.07 109.13 3kwy h GLY 343 Ca 0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3kwy h GLY 343 CO 0.28 0.52 -0.47 0.00 0.00 0.00 0.00 176.54 176.87 3kwy h ALA 344 N 1.31 -1.21 -0.99 3.60 0.00 -1.91 -0.88 119.26 119.18 3kwy h ALA 344 Ca 0.19 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kwy h ALA 344 Cb 0.27 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3kwy h ALA 344 CO -0.01 -1.20 0.65 0.97 0.00 0.00 0.00 179.25 179.67 3kwy h ILE 345 N -1.16 1.20 -0.34 0.00 6.09 -1.95 -2.33 117.51 119.01 3kwy h ILE 345 Ca -0.10 -0.44 0.02 0.00 -1.37 0.00 0.00 64.86 62.97 3kwy h ILE 345 Cb 0.93 -0.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.00 3kwy h ILE 345 CO 0.10 0.23 0.19 0.15 -3.07 0.00 0.00 178.15 175.76 3kwy h PHE 346 N 1.28 0.36 -0.70 2.19 3.57 -1.40 -2.32 116.94 119.92 3kwy h PHE 346 Ca 0.39 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 3kwy h PHE 346 Cb -0.04 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3kwy h PHE 346 CO -0.00 0.21 0.35 -0.44 -2.23 0.00 0.00 178.31 176.19 3kwy h ASP 347 N 0.39 0.89 0.02 0.41 3.45 -0.89 -1.79 116.42 118.90 3kwy h ASP 347 Ca 0.14 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 3kwy h ASP 347 Cb 0.02 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 3kwy h ASP 347 CO -0.07 0.75 -0.01 0.03 -1.57 0.00 0.00 179.24 178.36 3kwy h ARG 348 N 0.99 -0.03 -0.47 3.56 3.08 -1.10 0.60 114.38 121.00 3kwy h ARG 348 Ca 0.24 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.38 3kwy h ARG 348 Cb 0.08 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 3kwy h ARG 348 CO -0.03 0.04 0.03 0.28 -1.07 0.00 0.00 179.97 179.21 3kwy h VAL 349 N -0.09 0.67 -0.38 2.04 2.07 -1.21 0.11 116.25 119.46 3kwy h VAL 349 Ca -0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3kwy h VAL 349 Cb 0.08 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3kwy h VAL 349 CO 0.01 0.03 0.24 -0.07 0.02 0.00 0.00 177.57 177.79 3kwy h LEU 350 N 0.15 0.45 0.11 2.57 3.38 -0.89 -0.92 115.31 120.17 3kwy h LEU 350 Ca 0.24 -0.05 -0.32 0.00 0.09 0.00 0.00 57.88 57.84 3kwy h LEU 350 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kwy h LEU 350 CO -0.37 0.37 -1.70 0.71 0.09 0.00 0.00 178.44 177.54 3kwy h THR 351 N 0.50 0.95 0.00 0.22 1.35 -0.69 0.48 112.91 115.72 3kwy h THR 351 Ca 0.14 -2.63 -0.11 0.00 -0.55 0.00 0.00 66.41 63.26 3kwy h THR 351 Cb -0.01 2.65 -0.02 0.00 -1.73 0.00 0.00 68.15 69.04 3kwy h THR 351 CO -0.03 0.80 -1.05 -0.33 -0.25 0.00 0.00 175.52 174.66 3kwy h GLU 352 N 0.06 0.00 0.00 4.72 5.08 -0.86 -3.38 114.58 120.20 3kwy h GLU 352 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3kwy h GLU 352 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3kwy h GLU 352 CO 0.13 0.27 -0.04 1.28 -1.00 0.00 0.00 179.01 179.65 3kwy n LEU 353 N -2.94 0.65 0.31 1.33 4.77 -0.65 -4.63 117.00 115.85 3kwy n LEU 353 Ca -0.04 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 3kwy n LEU 353 Cb 0.74 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3kwy n LEU 353 CO 0.41 -0.63 0.60 0.58 -1.33 0.00 0.00 177.39 177.02 3kwy h VAL 354 N -0.04 0.18 -0.40 4.08 2.07 -1.21 0.73 116.25 121.67 3kwy h VAL 354 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kwy h VAL 354 Cb 0.04 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3kwy h VAL 354 CO 0.00 0.00 0.26 0.28 0.02 0.00 0.00 177.57 178.13 3kwy h SER 355 N -0.93 0.46 0.40 0.57 0.02 -1.11 -0.23 113.55 112.73 3kwy h SER 355 Ca -0.06 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.62 3kwy h SER 355 Cb 0.78 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.21 3kwy h SER 355 CO 0.02 0.34 -1.09 0.11 -1.14 0.00 0.00 176.83 175.06 3kwy h LYS 356 N 0.54 0.40 -0.97 3.45 1.57 -1.66 -0.83 116.57 119.08 3kwy h LYS 356 Ca 0.15 -0.52 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3kwy h LYS 356 Cb -0.06 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 3kwy h LYS 356 CO -0.03 1.19 0.64 0.52 -0.57 0.00 0.00 179.45 181.19 3kwy h MET 357 N 0.19 1.21 0.20 3.15 2.86 -0.43 -2.78 114.93 119.33 3kwy h MET 357 Ca -0.12 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3kwy h MET 357 Cb 1.76 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.15 3kwy h MET 357 CO 0.19 0.80 -0.10 -0.09 1.06 0.00 0.00 176.91 178.77 3kwy h ARG 358 N 1.24 -0.26 -0.87 1.72 2.43 -0.91 -1.93 114.38 115.80 3kwy h ARG 358 Ca 0.38 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.68 3kwy h ARG 358 Cb -0.03 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.49 3kwy h ARG 358 CO -0.11 0.12 0.50 -0.44 -1.51 0.00 0.00 179.97 178.53 3kwy h ASP 359 N -0.71 0.68 0.48 -3.80 5.19 -1.14 -1.17 116.42 115.95 3kwy h ASP 359 Ca -0.03 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3kwy h ASP 359 Cb 0.49 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3kwy h ASP 359 CO 0.04 0.35 -0.25 1.15 -3.12 0.00 0.00 179.24 177.41 3kwy n MET 360 N -4.76 0.38 -3.66 3.56 0.00 -1.05 -4.97 117.12 106.61 3kwy n MET 360 Ca 0.16 -0.17 -0.25 0.00 0.00 0.00 0.00 57.70 57.44 3kwy n MET 360 Cb 0.35 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.11 3kwy n MET 360 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3kwy n GLN 361 N -1.16 -2.92 -1.67 3.17 6.02 -0.44 -4.91 117.38 115.47 3kwy n GLN 361 Ca 0.10 0.56 -0.46 0.00 -0.01 0.00 0.00 57.00 57.19 3kwy n GLN 361 Cb 0.32 -4.77 -0.04 0.00 1.02 0.00 0.00 30.24 26.77 3kwy n GLN 361 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3kwy n MET 362 N -4.12 2.21 -3.05 -1.09 0.00 -0.78 -4.98 117.12 105.30 3kwy n MET 362 Ca -0.19 0.80 -0.18 0.00 -0.00 0.00 0.00 57.70 58.13 3kwy n MET 362 Cb 0.64 -2.58 0.03 0.00 0.00 0.00 0.00 33.22 31.30 3kwy n MET 362 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3kwy s ASP 363 N 1.27 5.43 0.39 6.12 3.84 -1.26 -4.94 116.67 127.51 3kwy s ASP 363 Ca 0.80 -0.59 0.16 0.00 -0.00 0.00 0.00 52.55 52.92 3kwy s ASP 363 Cb -0.66 -0.31 0.79 0.00 -1.38 0.00 0.00 42.92 41.36 3kwy s ASP 363 CO 0.39 -0.96 1.83 0.11 -0.00 0.00 0.00 175.17 176.54 3kwy h LYS 364 N 0.50 0.00 -0.34 2.11 1.57 -1.99 -1.06 116.57 117.36 3kwy h LYS 364 Ca -0.36 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.32 3kwy h LYS 364 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3kwy h LYS 364 CO 0.44 0.35 -0.17 1.15 -0.57 0.00 0.00 179.45 180.65 3kwy h THR 365 N 0.00 1.29 -0.17 -0.16 2.02 -1.94 -1.28 112.91 112.67 3kwy h THR 365 Ca -0.00 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 3kwy h THR 365 Cb 0.69 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3kwy h THR 365 CO 0.05 0.42 0.10 -0.33 0.37 0.00 0.00 175.52 176.13 3kwy h GLU 366 N 0.50 0.24 -0.36 6.66 5.08 -1.83 -1.53 114.58 123.33 3kwy h GLU 366 Ca 0.08 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3kwy h GLU 366 Cb 0.71 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 3kwy h GLU 366 CO 0.05 0.20 -0.04 1.25 -1.00 0.00 0.00 179.01 179.48 3kwy h LEU 367 N 0.20 -0.22 -0.76 1.33 5.85 -1.22 -1.72 115.31 118.77 3kwy h LEU 367 Ca 0.06 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3kwy h LEU 367 Cb 0.03 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kwy h LEU 367 CO -0.01 -0.07 0.39 1.23 -0.34 0.00 0.00 178.44 179.63 3kwy h GLY 368 N 0.06 1.15 0.97 3.75 0.00 -0.97 -1.33 103.07 106.69 3kwy h GLY 368 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3kwy h GLY 368 CO -0.33 0.52 0.22 0.00 0.00 0.00 0.00 176.54 176.96 3kwy h LEU 370 N 0.57 0.94 -0.69 0.00 3.38 -0.94 -0.01 115.31 118.55 3kwy h LEU 370 Ca 0.15 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3kwy h LEU 370 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kwy h LEU 370 CO -0.02 0.68 -0.08 0.03 0.09 0.00 0.00 178.44 179.14 3kwy h ARG 371 N 1.10 0.92 -0.42 1.13 3.08 -1.09 -1.01 114.38 118.09 3kwy h ARG 371 Ca 0.30 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3kwy h ARG 371 Cb -0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3kwy h ARG 371 CO -0.06 0.97 0.01 0.00 -1.07 0.00 0.00 179.97 179.81 3kwy h ALA 372 N 1.06 0.57 -0.65 0.04 0.00 -0.74 0.25 119.26 119.79 3kwy h ALA 372 Ca 0.14 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.90 3kwy h ALA 372 Cb 0.61 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3kwy h ALA 372 CO 0.04 0.34 0.24 0.82 0.00 0.00 0.00 179.25 180.70 3kwy h ILE 373 N 0.58 0.73 -0.53 0.00 2.04 -0.89 -0.50 117.51 118.93 3kwy h ILE 373 Ca 0.12 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3kwy h ILE 373 Cb 0.47 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3kwy h ILE 373 CO 0.02 0.08 -0.09 0.58 0.00 0.00 0.00 178.15 178.73 3kwy h VAL 374 N 0.42 1.27 0.43 1.67 2.07 -0.82 -3.21 116.25 118.07 3kwy h VAL 374 Ca 0.34 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3kwy h VAL 374 Cb 0.45 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kwy h VAL 374 CO -0.34 0.44 -0.30 0.25 0.02 0.00 0.00 177.57 177.63 3kwy h LEU 375 N 0.89 -0.78 -5.97 2.57 5.85 -0.03 -3.28 115.31 114.57 3kwy h LEU 375 Ca 0.14 0.05 -0.69 0.00 0.84 0.00 0.00 57.88 58.23 3kwy h LEU 375 Cb 0.64 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3kwy h LEU 375 CO 0.04 -0.46 3.06 0.49 -0.34 0.00 0.00 178.44 181.24 3kwy n PHE 376 N -5.43 3.11 -3.27 1.25 0.99 -0.24 -4.85 117.46 109.03 3kwy n PHE 376 Ca -0.11 -2.78 -0.44 0.00 -0.00 0.00 0.00 57.45 54.12 3kwy n PHE 376 Cb 0.33 -2.40 -0.07 0.00 -1.00 0.00 0.00 39.48 36.35 3kwy n PHE 376 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3kwy s ASN 377 N 3.39 6.19 0.00 4.37 2.47 -1.24 -4.54 114.94 125.58 3kwy s ASN 377 Ca 0.51 -1.12 0.17 0.00 0.42 0.00 0.00 52.86 52.84 3kwy s ASN 377 Cb 0.14 -2.24 0.74 0.00 -1.45 0.00 0.00 41.25 38.44 3kwy s ASN 377 CO -0.05 -0.78 1.54 -0.81 -3.72 0.00 0.00 177.10 173.27 3kwy n PRO 378 N 5.71 0.03 0.00 0.43 -0.04 -1.26 -2.38 135.00 137.49 3kwy n PRO 378 Ca -0.09 0.20 0.15 0.00 -0.04 0.00 0.00 63.50 63.71 3kwy n PRO 378 Cb 0.44 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.07 3kwy n PRO 378 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kwy n ASP 379 N -1.47 0.98 -4.72 3.54 8.00 -1.26 -4.86 116.55 116.75 3kwy n ASP 379 Ca 0.05 -1.32 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 3kwy n ASP 379 Cb 0.19 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3kwy n ASP 379 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kwy s SER 380 N -2.00 6.61 0.32 -2.24 0.01 -1.00 -4.94 113.70 110.45 3kwy s SER 380 Ca 0.41 2.61 -0.29 0.00 1.31 0.00 0.00 55.95 60.00 3kwy s SER 380 Cb 0.21 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 3kwy s SER 380 CO 0.35 -0.79 1.20 -0.54 0.41 0.00 0.00 173.24 173.87 3kwy s LYS 381 N 0.78 4.44 0.00 12.44 -0.14 -1.26 -3.70 119.74 132.30 3kwy s LYS 381 Ca 0.67 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 57.27 3kwy s LYS 381 Cb -0.43 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.65 3kwy s LYS 381 CO 0.34 -0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.31 3kwy n GLY 382 N 0.94 0.81 3.73 -3.33 0.00 -1.26 -5.00 105.19 101.08 3kwy n GLY 382 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kwy n GLY 382 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kwy n LEU 383 N 0.00 4.19 0.02 0.99 4.77 -1.24 -4.90 117.00 120.82 3kwy n LEU 383 Ca 0.00 1.14 -0.09 0.00 -0.03 0.00 0.00 56.01 57.03 3kwy n LEU 383 Cb 0.00 -1.57 0.07 0.00 -2.33 0.00 0.00 43.42 39.59 3kwy n LEU 383 CO 0.00 0.07 0.48 0.77 -1.33 0.00 0.00 177.39 177.38 3kwy h SER 384 N 4.83 0.56 -2.74 -1.43 4.64 -1.95 -3.38 113.55 114.07 3kwy h SER 384 Ca -0.46 -0.30 -0.56 0.00 -0.47 0.00 0.00 61.79 59.99 3kwy h SER 384 Cb 1.23 -0.16 -0.39 0.00 -0.31 0.00 0.00 62.40 62.77 3kwy h SER 384 CO 0.80 1.00 -0.81 0.21 -0.87 0.00 0.00 176.83 177.15 3kwy s ASN 385 N -6.92 3.27 0.50 4.97 3.84 -1.26 -5.00 114.94 114.34 3kwy s ASN 385 Ca -0.07 -1.85 0.20 0.00 0.21 0.00 0.00 52.86 51.35 3kwy s ASN 385 Cb 0.11 -0.44 1.27 0.00 -0.55 0.00 0.00 41.25 41.65 3kwy s ASN 385 CO 0.83 -0.36 2.08 -0.65 -2.79 0.00 0.00 177.10 176.21 3kwy h PRO 386 N 7.57 0.00 -0.08 0.43 0.11 -1.89 -2.98 132.00 135.16 3kwy h PRO 386 Ca -0.05 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 3kwy h PRO 386 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3kwy h PRO 386 CO 0.35 0.11 -0.50 0.00 -0.21 0.00 0.00 178.00 177.74 3kwy h ALA 387 N 1.89 1.01 -0.47 -0.75 0.00 -1.94 -1.10 119.26 117.90 3kwy h ALA 387 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3kwy h ALA 387 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kwy h ALA 387 CO 0.01 0.66 -0.06 1.49 0.00 0.00 0.00 179.25 181.35 3kwy h GLU 388 N 0.16 0.83 -0.08 0.00 4.81 -1.96 -1.83 114.58 116.50 3kwy h GLU 388 Ca 0.01 -0.26 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 3kwy h GLU 388 Cb 0.95 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.26 3kwy h GLU 388 CO 0.08 0.87 -0.89 0.28 -0.73 0.00 0.00 179.01 178.61 3kwy h VAL 389 N 0.76 1.29 -0.19 0.32 2.07 -1.52 -2.70 116.25 116.27 3kwy h VAL 389 Ca 0.13 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3kwy h VAL 389 Cb 0.54 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3kwy h VAL 389 CO 0.03 0.66 0.13 -0.08 0.02 0.00 0.00 177.57 178.33 3kwy h GLU 390 N 0.46 0.26 -0.87 1.57 4.81 -1.16 -1.08 114.58 118.58 3kwy h GLU 390 Ca -0.08 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3kwy h GLU 390 Cb 1.53 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 3kwy h GLU 390 CO 0.18 0.18 0.56 0.00 -0.73 0.00 0.00 179.01 179.20 3kwy h ALA 391 N 1.06 1.63 -0.33 2.92 0.00 -1.36 0.74 119.26 123.92 3kwy h ALA 391 Ca 0.07 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3kwy h ALA 391 Cb -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kwy h ALA 391 CO -0.01 0.20 -0.43 -0.07 0.00 0.00 0.00 179.25 178.94 3kwy h LEU 392 N 0.88 0.94 -0.14 0.00 3.38 -1.14 -2.50 115.31 116.74 3kwy h LEU 392 Ca 0.39 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3kwy h LEU 392 Cb 0.36 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3kwy h LEU 392 CO -0.16 1.25 -0.19 -0.09 0.09 0.00 0.00 178.44 179.35 3kwy h ARG 393 N 0.66 -0.22 -0.79 1.13 2.43 -0.59 -2.29 114.38 114.70 3kwy h ARG 393 Ca 0.04 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 3kwy h ARG 393 Cb 1.03 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.55 3kwy h ARG 393 CO 0.10 -0.15 0.40 0.93 -1.51 0.00 0.00 179.97 179.74 3kwy h GLU 394 N -0.23 0.60 -0.63 0.20 5.08 -0.82 -2.32 114.58 116.46 3kwy h GLU 394 Ca 0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kwy h GLU 394 Cb 0.38 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3kwy h GLU 394 CO -0.28 0.40 0.22 0.87 -1.00 0.00 0.00 179.01 179.22 3kwy h LYS 395 N 0.62 0.96 -0.21 2.33 1.57 -1.28 -1.45 116.57 119.11 3kwy h LYS 395 Ca 0.41 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3kwy h LYS 395 Cb 0.50 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3kwy h LYS 395 CO -0.32 0.83 0.09 0.28 -0.57 0.00 0.00 179.45 179.77 3kwy h VAL 396 N 0.89 0.98 0.00 0.50 2.07 -0.95 -1.82 116.25 117.91 3kwy h VAL 396 Ca 0.20 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3kwy h VAL 396 Cb 0.26 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3kwy h VAL 396 CO -0.01 0.04 -0.26 0.10 0.02 0.00 0.00 177.57 177.46 3kwy h TYR 397 N 0.20 0.00 -0.08 1.57 -0.00 -1.31 0.16 116.97 117.51 3kwy h TYR 397 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.80 3kwy h TYR 397 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.76 3kwy h TYR 397 CO -0.10 0.26 -0.01 0.00 -0.00 0.00 0.00 178.16 178.30 3kwy h ALA 398 N 1.74 0.10 -0.77 0.10 0.00 -1.24 -1.21 119.26 117.99 3kwy h ALA 398 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kwy h ALA 398 Cb 1.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3kwy h ALA 398 CO 0.03 -0.18 0.49 0.77 0.00 0.00 0.00 179.25 180.36 3kwy h SER 399 N -0.18 0.80 -0.23 0.00 0.02 -1.17 -2.55 113.55 110.25 3kwy h SER 399 Ca 0.02 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3kwy h SER 399 Cb 0.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3kwy h SER 399 CO 0.01 0.55 0.14 0.25 -1.14 0.00 0.00 176.83 176.64 3kwy h LEU 400 N 0.95 0.27 -1.10 5.07 5.85 -0.67 -1.74 115.31 123.94 3kwy h LEU 400 Ca 0.31 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.01 3kwy h LEU 400 Cb 0.02 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3kwy h LEU 400 CO -0.11 0.23 0.61 -0.08 -0.34 0.00 0.00 178.44 178.75 3kwy h GLU 401 N 0.28 1.17 -0.10 1.25 4.81 -1.12 -1.53 114.58 119.33 3kwy h GLU 401 Ca 0.08 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3kwy h GLU 401 Cb 0.01 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3kwy h GLU 401 CO -0.02 0.77 -0.54 0.00 -0.73 0.00 0.00 179.01 178.49 3kwy h ALA 402 N 1.44 0.89 -0.33 2.92 0.00 -1.34 -2.49 119.26 120.35 3kwy h ALA 402 Ca 0.36 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3kwy h ALA 402 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kwy h ALA 402 CO -0.10 0.69 -0.36 -0.92 0.00 0.00 0.00 179.25 178.56 3kwy h TYR 403 N 0.23 0.89 -0.31 0.00 3.20 -0.73 -2.86 116.97 117.38 3kwy h TYR 403 Ca 0.00 -0.25 -0.12 0.00 3.14 0.00 0.00 58.73 61.50 3kwy h TYR 403 Cb 1.03 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 3kwy h TYR 403 CO 0.02 1.00 -0.29 0.00 -1.64 0.00 0.00 178.16 177.25 3kwy h LYS 405 N 0.51 0.00 0.05 0.00 1.57 -1.48 0.12 116.57 117.35 3kwy h LYS 405 Ca 0.05 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 3kwy h LYS 405 Cb 0.86 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 3kwy h LYS 405 CO 0.07 0.09 -1.64 1.58 -0.57 0.00 0.00 179.45 178.99 3kwy n HIS 406 N -3.45 1.07 0.11 -1.35 -0.00 -1.08 -3.74 115.22 106.78 3kwy n HIS 406 Ca -0.01 0.34 -0.17 0.00 0.46 0.00 0.00 57.72 58.34 3kwy n HIS 406 Cb 0.24 -1.12 -0.13 0.00 -0.12 0.00 0.00 29.99 28.86 3kwy n HIS 406 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 3kwy h LYS 407 N -0.54 0.33 -2.15 1.57 1.63 -1.20 -3.38 116.57 112.83 3kwy h LYS 407 Ca -0.40 -0.54 -0.58 0.00 -0.85 0.00 0.00 60.65 58.28 3kwy h LYS 407 Cb 1.63 0.20 -0.41 0.00 -0.60 0.00 0.00 32.23 33.05 3kwy h LYS 407 CO -0.09 1.25 -0.77 0.66 -3.45 0.00 0.00 179.45 177.04 3kwy n TYR 408 N -3.59 2.55 0.27 1.91 4.02 0.03 -4.92 117.16 117.42 3kwy n TYR 408 Ca -0.10 -3.96 0.15 0.00 -0.01 0.00 0.00 57.90 53.98 3kwy n TYR 408 Cb 1.02 -0.49 0.72 0.00 -0.02 0.00 0.00 39.34 40.57 3kwy n TYR 408 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3kwy h PRO 409 N 3.77 0.00 -0.00 -0.72 0.13 -1.69 -2.50 132.00 131.00 3kwy h PRO 409 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kwy h PRO 409 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3kwy h PRO 409 CO 0.72 0.08 -0.02 -0.85 -0.23 0.00 0.00 178.00 177.71 3kwy n GLU 410 N -3.29 0.46 -3.85 0.86 0.00 -1.26 -4.37 120.64 109.19 3kwy n GLU 410 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 57.16 56.83 3kwy n GLU 410 Cb 0.29 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.12 3kwy n GLU 410 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3kwy s GLN 411 N -2.55 2.59 0.50 3.44 -0.21 -0.94 -4.97 119.66 117.52 3kwy s GLN 411 Ca 0.29 -3.27 0.23 0.00 0.02 0.00 0.00 55.36 52.62 3kwy s GLN 411 Cb 0.20 -3.52 1.33 0.00 1.00 0.00 0.00 33.01 32.01 3kwy s GLN 411 CO 0.46 -1.27 2.07 -1.00 -2.12 0.00 0.00 175.29 173.43 3kwy h PRO 412 N 5.62 0.00 -0.01 2.91 0.13 -1.80 -2.95 132.00 135.89 3kwy h PRO 412 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kwy h PRO 412 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3kwy h PRO 412 CO 0.74 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 3kwy n GLY 413 N -0.90 -0.56 0.28 1.56 0.00 -1.26 -4.49 105.19 99.81 3kwy n GLY 413 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3kwy n GLY 413 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kwy h ARG 414 N 0.99 0.96 0.14 1.61 2.43 -1.90 -1.09 114.38 117.51 3kwy h ARG 414 Ca 0.00 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3kwy h ARG 414 Cb 0.21 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3kwy h ARG 414 CO 0.00 0.91 -0.15 0.35 -1.51 0.00 0.00 179.97 179.57 3kwy h PHE 415 N 0.85 -0.39 -0.84 2.20 3.57 -1.84 -0.74 116.94 119.75 3kwy h PHE 415 Ca 0.17 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3kwy h PHE 415 Cb 0.42 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3kwy h PHE 415 CO 0.03 -0.23 0.56 0.00 -2.23 0.00 0.00 178.31 176.44 3kwy h ALA 416 N 0.50 1.07 -0.98 2.41 0.00 -1.85 -2.39 119.26 118.02 3kwy h ALA 416 Ca 0.01 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kwy h ALA 416 Cb 0.32 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3kwy h ALA 416 CO -0.05 0.46 0.63 -0.22 0.00 0.00 0.00 179.25 180.07 3kwy h LYS 417 N 1.13 1.11 0.20 0.00 3.64 -0.74 -0.13 116.57 121.78 3kwy h LYS 417 Ca 0.31 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3kwy h LYS 417 Cb -0.11 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 3kwy h LYS 417 CO -0.07 0.73 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.68 3kwy h LEU 418 N 1.14 -0.22 -1.68 5.20 3.38 -0.77 -3.10 115.31 119.26 3kwy h LEU 418 Ca 0.42 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kwy h LEU 418 Cb 0.16 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kwy h LEU 418 CO -0.17 0.02 0.15 -0.07 0.09 0.00 0.00 178.44 178.46 3kwy h LEU 419 N -0.47 0.31 0.00 1.67 3.38 -1.02 -2.34 115.31 116.85 3kwy h LEU 419 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kwy h LEU 419 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kwy h LEU 419 CO 0.04 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.01 3kwy n LEU 420 N -4.47 0.00 0.03 1.67 4.77 -0.10 -1.70 117.00 117.20 3kwy n LEU 420 Ca 0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3kwy n LEU 420 Cb 0.09 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 3kwy n LEU 420 CO 0.35 0.00 0.52 0.54 -1.33 0.00 0.00 177.39 177.47 3kwy n ARG 421 N -0.86 0.11 0.04 3.23 5.12 -0.88 -4.40 116.66 119.03 3kwy n ARG 421 Ca 0.14 0.04 -0.04 0.00 -1.93 0.00 0.00 57.85 56.06 3kwy n ARG 421 Cb 0.06 -1.58 0.18 0.00 -1.16 0.00 0.00 32.46 29.96 3kwy n ARG 421 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3kwy h LEU 422 N 0.00 0.42 -0.58 0.55 3.38 -1.48 -1.21 115.31 116.39 3kwy h LEU 422 Ca 0.00 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 3kwy h LEU 422 Cb 0.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3kwy h LEU 422 CO 0.00 0.76 -0.06 -0.65 0.09 0.00 0.00 178.44 178.58 3kwy h PRO 423 N 0.34 1.06 -0.40 1.13 0.11 -1.77 -1.01 132.00 131.45 3kwy h PRO 423 Ca 0.04 -0.37 0.01 0.00 0.11 0.00 0.00 66.00 65.79 3kwy h PRO 423 Cb 0.81 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3kwy h PRO 423 CO 0.07 1.07 0.26 0.00 -0.21 0.00 0.00 178.00 179.18 3kwy h ALA 424 N 0.96 0.51 -0.78 -0.75 0.00 -1.77 -1.78 119.26 115.64 3kwy h ALA 424 Ca 0.16 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kwy h ALA 424 Cb 0.63 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3kwy h ALA 424 CO 0.04 -0.05 0.48 1.25 0.00 0.00 0.00 179.25 180.97 3kwy h LEU 425 N 0.53 0.75 -0.43 0.00 5.85 -1.07 -1.01 115.31 119.93 3kwy h LEU 425 Ca 0.15 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3kwy h LEU 425 Cb -0.04 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3kwy h LEU 425 CO -0.04 0.49 0.21 -0.09 -0.34 0.00 0.00 178.44 178.67 3kwy h ARG 426 N 0.89 0.62 -0.33 1.25 9.65 -0.80 -0.46 114.38 125.20 3kwy h ARG 426 Ca 0.34 -0.09 -0.11 0.00 -1.10 0.00 0.00 59.98 59.02 3kwy h ARG 426 Cb 0.14 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 3kwy h ARG 426 CO -0.16 0.53 -0.22 0.66 2.80 0.00 0.00 179.97 183.58 3kwy h SER 427 N 0.55 0.77 -0.84 -3.80 4.64 -0.91 -1.98 113.55 111.98 3kwy h SER 427 Ca 0.15 -0.44 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3kwy h SER 427 Cb 0.11 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 3kwy h SER 427 CO -0.02 1.04 0.38 0.40 -0.87 0.00 0.00 176.83 177.76 3kwy h ILE 428 N 0.50 1.26 -0.74 0.95 2.04 -1.18 -2.09 117.51 118.25 3kwy h ILE 428 Ca 0.06 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.18 3kwy h ILE 428 Cb 0.78 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3kwy h ILE 428 CO 0.06 0.32 0.48 1.23 0.00 0.00 0.00 178.15 180.25 3kwy h GLY 429 N 1.20 1.06 0.94 5.37 0.00 -0.87 -1.14 103.07 109.64 3kwy h GLY 429 Ca 0.28 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3kwy h GLY 429 CO -0.03 0.34 0.14 1.41 0.00 0.00 0.00 176.54 178.40 3kwy h LEU 430 N 0.96 0.58 -0.59 3.11 3.38 -1.19 -2.26 115.31 119.30 3kwy h LEU 430 Ca 0.29 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3kwy h LEU 430 Cb -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kwy h LEU 430 CO -0.08 0.62 0.18 0.50 0.09 0.00 0.00 178.44 179.75 3kwy h LYS 431 N 0.51 0.92 -0.60 1.13 1.63 -1.21 -2.64 116.57 116.30 3kwy h LYS 431 Ca 0.13 -0.20 0.06 0.00 -0.85 0.00 0.00 60.65 59.79 3kwy h LYS 431 Cb 0.24 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 3kwy h LYS 431 CO -0.01 0.82 0.32 0.00 -3.45 0.00 0.00 179.45 177.14 3kwy h LEU 433 N 0.59 0.74 -0.67 0.00 3.38 -1.17 -0.93 115.31 117.25 3kwy h LEU 433 Ca 0.27 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.29 3kwy h LEU 433 Cb 0.18 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3kwy h LEU 433 CO -0.18 0.47 0.42 -0.33 0.09 0.00 0.00 178.44 178.92 3kwy h GLU 434 N 0.87 0.81 -0.43 1.13 5.08 -1.21 -1.84 114.58 118.99 3kwy h GLU 434 Ca 0.35 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3kwy h GLU 434 Cb 0.17 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3kwy h GLU 434 CO -0.17 0.54 0.10 0.45 -1.00 0.00 0.00 179.01 178.93 3kwy h HIS 435 N 0.84 0.73 -0.60 4.33 3.86 -1.03 -2.57 115.15 120.71 3kwy h HIS 435 Ca 0.26 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3kwy h HIS 435 Cb -0.01 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3kwy h HIS 435 CO -0.04 0.68 0.21 -0.07 0.86 0.00 0.00 177.93 179.57 3kwy h LEU 436 N 0.57 0.82 -0.92 2.43 3.38 -0.97 -0.28 115.31 120.33 3kwy h LEU 436 Ca 0.14 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3kwy h LEU 436 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kwy h LEU 436 CO 0.00 0.76 -0.23 -0.26 0.09 0.00 0.00 178.44 178.80 3kwy h PHE 437 N 0.87 0.58 -0.44 1.13 -1.00 -1.28 -1.30 116.94 115.51 3kwy h PHE 437 Ca 0.20 -0.12 -0.11 0.00 2.81 0.00 0.00 57.97 60.75 3kwy h PHE 437 Cb 0.22 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3kwy h PHE 437 CO 0.01 0.72 -0.16 0.35 -1.61 0.00 0.00 178.31 177.62 3kwy h PHE 438 N 0.46 1.01 -0.48 -0.55 3.57 -1.01 -1.97 116.94 117.97 3kwy h PHE 438 Ca 0.07 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.27 3kwy h PHE 438 Cb 0.66 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3kwy h PHE 438 CO 0.02 1.01 0.03 0.35 -2.23 0.00 0.00 178.31 177.49 3kwy h PHE 439 N 0.71 0.83 -0.62 0.41 3.57 -0.87 0.13 116.94 121.10 3kwy h PHE 439 Ca 0.10 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kwy h PHE 439 Cb 0.71 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3kwy h PHE 439 CO 0.05 0.75 0.29 -0.22 -2.23 0.00 0.00 178.31 176.95 3kwy h LYS 440 N 0.74 0.88 -0.01 1.11 3.64 -1.19 -3.22 116.57 118.52 3kwy h LYS 440 Ca 0.15 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3kwy h LYS 440 Cb 0.41 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3kwy h LYS 440 CO 0.01 0.69 -0.07 1.25 -2.27 0.00 0.00 179.45 179.07 3kwy h LEU 441 N 0.88 0.08 -6.88 5.20 5.85 -0.50 -3.33 115.31 116.60 3kwy h LEU 441 Ca 0.22 -0.70 -0.75 0.00 0.84 0.00 0.00 57.88 57.48 3kwy h LEU 441 Cb 0.11 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 40.95 3kwy h LEU 441 CO -0.03 0.77 1.74 -0.38 -0.34 0.00 0.00 178.44 180.21 3kwy n ILE 442 N -4.68 4.36 -0.98 4.05 2.08 0.34 -4.92 119.36 119.63 3kwy n ILE 442 Ca -0.09 -4.58 -0.29 0.00 0.56 0.00 0.00 62.75 58.35 3kwy n ILE 442 Cb 0.39 -2.38 -0.02 0.00 -0.75 0.00 0.00 39.64 36.87 3kwy n ILE 442 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kwy n GLY 443 N 3.14 3.59 2.14 7.39 0.00 -1.24 -4.81 105.19 115.40 3kwy n GLY 443 Ca 0.38 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 3kwy n GLY 443 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kwy n ASP 444 N 3.95 4.01 0.00 1.61 -0.08 -1.26 -5.12 116.55 119.65 3kwy n ASP 444 Ca 0.59 -3.46 0.00 0.00 -1.51 0.00 0.00 54.79 50.41 3kwy n ASP 444 Cb 0.17 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 42.83 3kwy n ASP 444 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3kwy n ILE 447 N -0.84 0.00 -1.54 5.18 5.41 -1.26 -5.16 119.36 121.15 3kwy n ILE 447 Ca 0.53 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.99 3kwy n ILE 447 Cb 1.57 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 40.60 3kwy n ILE 447 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3kwy s ASP 448 N 0.00 4.28 0.29 4.38 1.01 -1.26 -4.80 116.67 120.57 3kwy s ASP 448 Ca 0.00 1.25 0.01 0.00 0.71 0.00 0.00 52.55 54.53 3kwy s ASP 448 Cb 0.00 -1.96 0.43 0.00 1.01 0.00 0.00 42.92 42.40 3kwy s ASP 448 CO 0.00 -2.10 1.77 0.71 0.21 0.00 0.00 175.17 175.76 3kwy h THR 449 N -1.18 1.24 -0.03 -1.27 1.35 -1.99 -1.18 112.91 109.86 3kwy h THR 449 Ca -0.48 -1.06 -0.08 0.00 -0.55 0.00 0.00 66.41 64.25 3kwy h THR 449 Cb 1.28 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3kwy h THR 449 CO 0.60 0.35 -0.29 0.15 -0.25 0.00 0.00 175.52 176.08 3kwy h PHE 450 N 0.55 0.35 -0.62 4.73 -0.00 -1.94 -1.30 116.94 118.71 3kwy h PHE 450 Ca 0.10 -0.17 0.08 0.00 -0.00 0.00 0.00 57.97 57.99 3kwy h PHE 450 Cb 0.52 -0.05 -0.07 0.00 -0.00 0.00 0.00 35.95 36.35 3kwy h PHE 450 CO 0.02 0.93 0.27 1.25 -0.00 0.00 0.00 178.31 180.78 3kwy h LEU 451 N -0.34 0.32 -0.46 0.59 5.85 -1.85 -1.71 115.31 117.72 3kwy h LEU 451 Ca -0.03 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3kwy h LEU 451 Cb 0.99 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3kwy h LEU 451 CO 0.06 0.20 0.20 -0.03 -0.34 0.00 0.00 178.44 178.52 3kwy h MET 452 N 0.48 0.38 -0.96 1.25 4.05 -1.20 -2.09 114.93 116.85 3kwy h MET 452 Ca 0.30 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.72 3kwy h MET 452 Cb 0.33 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 3kwy h MET 452 CO -0.27 0.25 0.63 1.49 0.23 0.00 0.00 176.91 179.25 3kwy h GLU 453 N 0.39 1.24 -0.14 0.39 4.81 -0.74 -1.91 114.58 118.62 3kwy h GLU 453 Ca 0.21 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3kwy h GLU 453 Cb 0.17 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3kwy h GLU 453 CO -0.19 0.82 -0.14 0.52 -0.73 0.00 0.00 179.01 179.29 3kwy h MET 454 N 1.28 0.22 -0.01 1.92 2.86 -0.86 -2.34 114.93 117.99 3kwy h MET 454 Ca 0.36 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3kwy h MET 454 Cb -0.11 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3kwy h MET 454 CO -0.09 0.37 -0.03 1.28 1.06 0.00 0.00 176.91 179.50 3kwy n LEU 455 N -4.27 0.75 -4.79 1.22 4.77 -0.77 -4.92 117.00 108.99 3kwy n LEU 455 Ca -0.01 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.44 3kwy n LEU 455 Cb 0.27 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3kwy n LEU 455 CO 0.38 0.13 0.71 -1.61 -1.33 0.00 0.00 177.39 175.67 3kwy s GLU 456 N -2.12 2.78 0.49 3.23 2.02 -0.88 -5.03 118.70 119.19 3kwy s GLU 456 Ca 0.39 1.14 -0.21 0.00 0.02 0.00 0.00 54.97 56.31 3kwy s GLU 456 Cb 0.21 -1.96 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 3kwy s GLU 456 CO 0.38 -1.24 1.14 0.00 0.02 0.00 0.00 175.26 175.56 3kwy s ALA 457 N -2.77 2.86 -2.00 5.21 0.00 -1.26 -5.06 121.76 118.74 3kwy s ALA 457 Ca 0.61 0.85 0.14 0.00 0.00 0.00 0.00 51.96 53.57 3kwy s ALA 457 Cb -0.16 -3.36 0.87 0.00 0.00 0.00 0.00 23.12 20.46 3kwy s ALA 457 CO 0.50 -0.65 1.28 -2.30 0.00 0.00 0.00 175.76 174.59