#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwp n ALA 259 N 0.00 2.44 0.17 -1.67 0.00 -1.26 -2.73 120.51 117.47 2hwp n ALA 259 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2hwp n ALA 259 Cb 0.00 -1.06 0.09 0.00 0.00 0.00 0.00 19.45 18.48 2hwp n ALA 259 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2hwp h TRP 260 N 0.00 0.00 -3.40 0.00 4.06 -1.95 -3.47 115.95 111.20 2hwp h TRP 260 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 2hwp h TRP 260 Cb 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.19 2hwp h TRP 260 CO 0.00 0.04 0.65 -2.00 -3.56 0.00 0.00 178.44 173.57 2hwp s GLU 261 N -3.25 4.39 0.29 0.49 2.56 -1.10 -2.16 118.70 119.92 2hwp s GLU 261 Ca 0.04 2.06 0.09 0.00 0.00 0.00 0.00 54.97 57.15 2hwp s GLU 261 Cb 0.07 -3.19 -0.06 0.00 2.00 0.00 0.00 34.13 32.95 2hwp s GLU 261 CO 0.72 -0.25 -0.11 0.96 -0.56 0.00 0.00 175.26 176.02 2hwp s ILE 262 N 0.08 1.98 0.35 -3.70 -4.36 -0.86 -4.91 121.20 109.79 2hwp s ILE 262 Ca 0.56 -2.21 -0.25 0.00 -0.26 0.00 0.00 60.65 58.49 2hwp s ILE 262 Cb -0.36 -2.42 -0.10 0.00 1.25 0.00 0.00 42.46 40.83 2hwp s ILE 262 CO 0.38 -0.33 0.99 -2.84 0.24 0.00 0.00 174.94 173.38 2hwp s PRO 263 N -3.64 4.44 0.58 0.37 0.02 -1.26 -4.76 135.00 130.75 2hwp s PRO 263 Ca 0.29 1.41 0.29 0.00 0.02 0.00 0.00 61.00 63.01 2hwp s PRO 263 Cb 0.01 -2.72 1.77 0.00 0.02 0.00 0.00 34.50 33.58 2hwp s PRO 263 CO 0.13 0.13 2.24 0.00 -0.33 0.00 0.00 177.00 179.17 2hwp h ARG 264 N 2.95 0.00 0.00 5.54 3.08 -1.97 -2.43 114.38 121.54 2hwp h ARG 264 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2hwp h ARG 264 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2hwp h ARG 264 CO 0.64 0.01 -0.19 -0.85 -1.07 0.00 0.00 179.97 178.51 2hwp n GLU 265 N -3.88 0.03 0.00 0.04 0.00 -1.26 -3.29 120.64 112.28 2hwp n GLU 265 Ca -0.03 0.02 0.14 0.00 0.00 0.00 0.00 57.16 57.29 2hwp n GLU 265 Cb 0.09 -1.53 0.57 0.00 0.00 0.00 0.00 31.44 30.57 2hwp n GLU 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2hwp n SER 266 N -1.58 0.24 -4.73 -1.84 3.41 -0.92 -4.80 113.62 103.40 2hwp n SER 266 Ca 0.06 -0.07 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 2hwp n SER 266 Cb 0.35 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 2hwp n SER 266 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hwp s LEU 267 N -2.77 4.00 -0.14 1.04 1.43 -1.21 -1.15 118.68 119.89 2hwp s LEU 267 Ca 0.20 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2hwp s LEU 267 Cb 0.19 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2hwp s LEU 267 CO 0.53 0.28 -0.13 -0.13 0.23 0.00 0.00 176.35 177.13 2hwp s ARG 268 N -0.29 2.17 -0.83 1.70 3.00 -0.81 -4.98 118.95 118.91 2hwp s ARG 268 Ca 0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 55.73 55.12 2hwp s ARG 268 Cb -0.12 -2.00 0.12 0.00 0.00 0.00 0.00 34.95 32.96 2hwp s ARG 268 CO 0.01 -0.21 1.01 -0.51 0.00 0.00 0.00 175.30 175.60 2hwp s LEU 269 N 1.44 5.12 -0.04 2.53 1.02 -1.26 -1.27 118.68 126.21 2hwp s LEU 269 Ca 0.03 -1.82 -0.08 0.00 0.02 0.00 0.00 54.13 52.28 2hwp s LEU 269 Cb -0.13 -2.37 -0.05 0.00 0.02 0.00 0.00 46.19 43.66 2hwp s LEU 269 CO -0.09 -1.10 0.40 -0.33 0.02 0.00 0.00 176.35 175.25 2hwp h GLU 270 N 8.93 -0.28 -5.61 1.70 5.08 -1.73 -3.47 114.58 119.20 2hwp h GLU 270 Ca 0.01 0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.75 2hwp h GLU 270 Cb 1.04 0.06 -0.32 0.00 0.50 0.00 0.00 28.75 30.04 2hwp h GLU 270 CO 1.09 -0.19 -0.87 0.08 -1.00 0.00 0.00 179.01 178.13 2hwp s VAL 271 N -2.50 1.81 0.11 3.13 1.01 -0.97 -5.01 120.40 117.98 2hwp s VAL 271 Ca -0.04 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 2hwp s VAL 271 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 2hwp s VAL 271 CO 0.13 0.51 0.71 -0.75 0.00 0.00 0.00 175.10 175.70 2hwp s LYS 272 N 0.02 4.45 -0.08 2.72 2.20 -1.26 -0.08 119.74 127.70 2hwp s LYS 272 Ca -0.07 1.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.57 2hwp s LYS 272 Cb -0.14 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2hwp s LYS 272 CO 0.04 0.54 -0.06 1.28 -0.36 0.00 0.00 175.35 176.79 2hwp n LEU 273 N 1.87 2.51 -3.77 5.43 4.77 0.17 -4.89 117.00 123.08 2hwp n LEU 273 Ca -0.06 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 2hwp n LEU 273 Cb 0.50 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2hwp n LEU 273 CO 0.45 0.56 0.42 -0.83 -1.33 0.00 0.00 177.39 176.66 2hwp s GLY 274 N -4.63 -0.15 -0.30 -0.72 0.00 -1.07 -4.99 107.32 95.47 2hwp s GLY 274 Ca -0.10 -0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.28 2hwp s GLY 274 CO 0.20 -0.09 1.00 1.20 0.00 0.00 0.00 173.10 175.41 2hwp s GLN 275 N -3.89 0.31 0.00 2.90 -1.52 -1.26 -0.58 119.66 115.63 2hwp s GLN 275 Ca 0.10 0.66 0.00 0.00 -1.95 0.00 0.00 55.36 54.17 2hwp s GLN 275 Cb -0.04 0.26 0.00 0.00 -0.22 0.00 0.00 33.01 33.01 2hwp s GLN 275 CO 0.02 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 2hwp n GLY 279 N 4.35 -2.68 3.80 3.09 0.00 -1.23 -5.07 105.19 107.44 2hwp n GLY 279 Ca -0.13 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 2hwp n GLY 279 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hwp s GLU 280 N 0.00 2.76 -0.06 1.61 -6.30 -1.22 -4.84 118.70 110.66 2hwp s GLU 280 Ca 0.00 1.10 -0.00 0.00 -2.50 0.00 0.00 54.97 53.57 2hwp s GLU 280 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 34.13 32.19 2hwp s GLU 280 CO 0.00 -1.24 -0.03 0.08 0.02 0.00 0.00 175.26 174.08 2hwp s VAL 281 N -2.84 0.54 0.16 3.70 1.01 0.26 -1.76 120.40 121.46 2hwp s VAL 281 Ca 0.61 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.64 2hwp s VAL 281 Cb -0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2hwp s VAL 281 CO 0.51 0.26 -0.23 0.26 0.00 0.00 0.00 175.10 175.90 2hwp s TRP 282 N 1.40 2.11 0.06 5.22 0.52 0.17 0.42 118.94 128.83 2hwp s TRP 282 Ca -0.03 -0.40 -0.19 0.00 0.02 0.00 0.00 56.10 55.50 2hwp s TRP 282 Cb -0.13 -1.08 -0.06 0.00 -1.15 0.00 0.00 33.47 31.04 2hwp s TRP 282 CO -0.03 0.38 0.54 1.41 0.02 0.00 0.00 176.95 179.28 2hwp s MET 283 N -2.44 4.16 0.00 4.98 -2.45 0.88 -0.59 119.30 123.83 2hwp s MET 283 Ca 0.16 0.69 0.00 0.00 -1.25 0.00 0.00 55.69 55.29 2hwp s MET 283 Cb -0.08 -3.24 0.00 0.00 1.25 0.00 0.00 34.83 32.76 2hwp s MET 283 CO 0.07 0.64 0.00 0.41 1.05 0.00 0.00 175.02 177.20 2hwp n GLY 284 N 1.75 2.10 3.41 2.11 0.00 -0.38 -1.85 105.19 112.33 2hwp n GLY 284 Ca -0.11 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 2hwp n GLY 284 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwp s THR 285 N -2.97 2.24 -0.04 2.61 2.01 -0.40 -1.09 115.64 118.01 2hwp s THR 285 Ca 0.00 -2.07 0.02 0.00 0.31 0.00 0.00 61.69 59.95 2hwp s THR 285 Cb 0.00 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.44 2hwp s THR 285 CO 0.00 -0.22 -0.07 0.86 -0.69 0.00 0.00 174.62 174.50 2hwp s TRP 286 N -1.92 0.87 -0.71 4.92 -0.00 0.44 -1.93 118.94 120.60 2hwp s TRP 286 Ca 0.21 -0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.07 2hwp s TRP 286 Cb -0.07 -0.68 0.00 0.00 -0.00 0.00 0.00 33.47 32.73 2hwp s TRP 286 CO 0.10 -0.15 0.00 0.09 -0.00 0.00 0.00 176.95 176.99 2hwp n ASN 287 N 3.65 -2.69 0.00 5.86 3.02 -0.30 -1.65 115.26 123.15 2hwp n ASN 287 Ca -0.22 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2hwp n ASN 287 Cb 0.53 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 2hwp n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hwp n GLY 288 N -0.58 1.74 0.02 7.41 0.00 -1.26 -4.67 105.19 107.86 2hwp n GLY 288 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 2hwp n GLY 288 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hwp n THR 289 N -1.91 0.30 -3.85 2.61 5.66 -0.94 -5.02 114.28 111.12 2hwp n THR 289 Ca 0.00 -0.22 -0.36 0.00 -3.05 0.00 0.00 64.05 60.42 2hwp n THR 289 Cb 0.00 -0.52 -0.11 0.00 -1.55 0.00 0.00 70.33 68.15 2hwp n THR 289 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2hwp s THR 290 N -2.22 4.71 0.45 1.09 2.01 -0.66 -4.93 115.64 116.09 2hwp s THR 290 Ca -0.03 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.69 2hwp s THR 290 Cb 0.02 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 2hwp s THR 290 CO 0.25 0.38 1.16 -0.60 -0.69 0.00 0.00 174.62 175.12 2hwp s ARG 291 N 1.05 3.83 0.19 4.92 3.52 -1.26 -0.42 118.95 130.77 2hwp s ARG 291 Ca 0.05 1.77 -0.17 0.00 -0.13 0.00 0.00 55.73 57.24 2hwp s ARG 291 Cb -0.14 -2.45 0.03 0.00 -1.56 0.00 0.00 34.95 30.82 2hwp s ARG 291 CO 0.03 -0.49 0.50 0.14 -0.81 0.00 0.00 175.30 174.68 2hwp s VAL 292 N -1.54 0.03 -0.12 7.11 -7.23 -0.25 -4.36 120.40 114.04 2hwp s VAL 292 Ca 0.62 -0.75 -0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2hwp s VAL 292 Cb -0.28 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2hwp s VAL 292 CO 0.35 -0.14 -0.03 0.00 -0.31 0.00 0.00 175.10 174.97 2hwp s ALA 293 N -3.87 3.10 -0.08 1.32 0.00 -0.82 -1.24 121.76 120.17 2hwp s ALA 293 Ca 0.09 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2hwp s ALA 293 Cb -0.01 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2hwp s ALA 293 CO -0.04 0.38 -0.17 0.42 0.00 0.00 0.00 175.76 176.35 2hwp s ILE 294 N -0.19 1.51 -0.05 0.00 1.01 0.24 -0.85 121.20 122.86 2hwp s ILE 294 Ca 0.04 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.05 2hwp s ILE 294 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2hwp s ILE 294 CO 0.02 0.44 -0.21 -0.54 0.00 0.00 0.00 174.94 174.65 2hwp s LYS 295 N 0.58 2.47 0.19 2.79 -0.14 -0.60 0.43 119.74 125.46 2hwp s LYS 295 Ca -0.15 -0.83 0.08 0.00 -1.36 0.00 0.00 55.97 53.70 2hwp s LYS 295 Cb -0.17 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.72 2hwp s LYS 295 CO 0.05 0.49 0.00 0.95 -0.76 0.00 0.00 175.35 176.08 2hwp s THR 296 N -0.42 3.67 0.00 2.17 -4.23 -0.72 -1.58 115.64 114.52 2hwp s THR 296 Ca 0.04 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2hwp s THR 296 Cb -0.12 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2hwp s THR 296 CO 0.01 -0.16 0.00 0.18 -0.54 0.00 0.00 174.62 174.11 2hwp n LEU 297 N -0.27 0.00 0.00 4.79 4.77 -1.23 -3.38 117.00 121.67 2hwp n LEU 297 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2hwp n LEU 297 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2hwp n LEU 297 CO 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 2hwp n GLN 312 N 0.00 0.00 0.09 3.23 1.13 -1.26 -4.91 117.38 115.66 2hwp n GLN 312 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2hwp n GLN 312 Cb 0.00 0.00 0.29 0.00 0.11 0.00 0.00 30.24 30.64 2hwp n GLN 312 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 2hwp h VAL 313 N 0.00 1.25 0.00 5.09 -1.51 -2.01 -2.59 116.25 116.47 2hwp h VAL 313 Ca 0.00 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 2hwp h VAL 313 Cb 0.00 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 2hwp h VAL 313 CO 0.00 0.35 0.01 0.24 -1.23 0.00 0.00 177.57 176.94 2hwp h MET 314 N 0.24 0.00 0.00 5.19 2.07 -1.99 0.34 114.93 120.78 2hwp h MET 314 Ca 0.04 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.49 2hwp h MET 314 Cb 0.60 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.30 2hwp h MET 314 CO 0.04 0.00 -0.87 0.87 1.07 0.00 0.00 176.91 178.03 2hwp h LYS 315 N 0.00 0.00 0.00 1.72 1.79 -1.87 -3.36 116.57 114.85 2hwp h LYS 315 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2hwp h LYS 315 Cb 0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2hwp h LYS 315 CO 0.00 0.87 -0.09 1.57 -1.08 0.00 0.00 179.45 180.71 2hwp h LYS 316 N 0.00 0.00 -6.25 3.15 -0.00 -0.48 -3.46 116.57 109.53 2hwp h LYS 316 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 60.08 2hwp h LYS 316 Cb 1.63 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.83 2hwp h LYS 316 CO 0.11 0.79 0.83 -0.51 -0.00 0.00 0.00 179.45 180.67 2hwp s LEU 317 N -8.26 4.25 -0.07 7.07 1.43 -0.77 -5.03 118.68 117.29 2hwp s LEU 317 Ca -0.16 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.79 2hwp s LEU 317 Cb -0.02 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.67 2hwp s LEU 317 CO 0.54 -0.70 -0.12 -0.13 0.23 0.00 0.00 176.35 176.18 2hwp s ARG 318 N 2.88 1.69 -0.28 1.70 1.81 -1.26 -4.86 118.95 120.63 2hwp s ARG 318 Ca 0.57 -0.40 -0.25 0.00 -1.72 0.00 0.00 55.73 53.94 2hwp s ARG 318 Cb -0.25 -1.44 0.13 0.00 -0.45 0.00 0.00 34.95 32.95 2hwp s ARG 318 CO 0.20 -0.01 1.09 -1.58 -0.68 0.00 0.00 175.30 174.31 2hwp s HIS 319 N 0.80 -0.42 0.65 -0.53 5.04 -1.26 -5.02 115.29 114.55 2hwp s HIS 319 Ca -0.12 1.02 0.30 0.00 -1.54 0.00 0.00 55.06 54.72 2hwp s HIS 319 Cb -0.15 0.38 1.65 0.00 0.04 0.00 0.00 32.58 34.50 2hwp s HIS 319 CO 0.02 -0.20 1.96 1.05 -2.34 0.00 0.00 174.74 175.23 2hwp h GLU 320 N 4.08 0.00 -0.16 2.88 9.09 -2.00 0.15 114.58 128.62 2hwp h GLU 320 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2hwp h GLU 320 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2hwp h GLU 320 CO 0.12 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.81 2hwp n LYS 321 N -3.11 2.47 -4.57 1.06 4.76 -1.26 -4.86 118.16 112.64 2hwp n LYS 321 Ca -0.00 -2.36 -0.33 0.00 -2.87 0.00 0.00 58.31 52.75 2hwp n LYS 321 Cb 0.41 -1.48 -0.15 0.00 -1.84 0.00 0.00 35.03 31.97 2hwp n LYS 321 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hwp s LEU 322 N -2.14 2.42 0.05 -0.35 1.02 0.04 -0.85 118.68 118.88 2hwp s LEU 322 Ca 0.28 -0.49 -0.34 0.00 0.02 0.00 0.00 54.13 53.60 2hwp s LEU 322 Cb 0.22 -1.54 -0.13 0.00 0.02 0.00 0.00 46.19 44.75 2hwp s LEU 322 CO 0.07 0.09 1.69 1.33 0.02 0.00 0.00 176.35 179.55 2hwp n VAL 323 N 4.04 0.24 -2.77 -1.59 0.24 -0.82 -4.50 118.33 113.17 2hwp n VAL 323 Ca -0.19 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.66 2hwp n VAL 323 Cb 0.52 -1.63 -0.05 0.00 -1.47 0.00 0.00 33.84 31.20 2hwp n VAL 323 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hwp s GLN 324 N 2.22 4.72 0.06 7.34 2.00 -1.26 -4.93 119.66 129.80 2hwp s GLN 324 Ca 0.85 1.41 -0.30 0.00 -2.00 0.00 0.00 55.36 55.32 2hwp s GLN 324 Cb -0.70 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 29.72 2hwp s GLN 324 CO 0.44 0.32 0.99 -1.17 -0.50 0.00 0.00 175.29 175.38 2hwp s LEU 325 N -0.38 4.43 -0.25 3.68 2.96 -1.26 -0.98 118.68 126.87 2hwp s LEU 325 Ca 0.44 1.76 -0.05 0.00 -0.22 0.00 0.00 54.13 56.06 2hwp s LEU 325 Cb -0.24 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.71 2hwp s LEU 325 CO 0.30 -0.20 -0.21 -1.22 -1.32 0.00 0.00 176.35 173.70 2hwp n TYR 326 N 3.40 0.14 -3.71 5.38 4.01 0.22 -4.88 117.16 121.72 2hwp n TYR 326 Ca 0.05 0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.77 2hwp n TYR 326 Cb 0.50 -1.02 -0.02 0.00 -0.31 0.00 0.00 39.34 38.50 2hwp n TYR 326 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hwp s ALA 327 N -2.51 -1.62 0.06 -0.72 0.00 -0.69 -4.96 121.76 111.31 2hwp s ALA 327 Ca -0.35 0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.87 2hwp s ALA 327 Cb 0.11 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2hwp s ALA 327 CO 0.58 -0.97 -0.07 0.14 0.00 0.00 0.00 175.76 175.44 2hwp s VAL 328 N -3.37 0.56 -0.32 0.00 -7.23 -0.92 -0.19 120.40 108.94 2hwp s VAL 328 Ca 0.10 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2hwp s VAL 328 Cb -0.02 -1.09 0.09 0.00 0.56 0.00 0.00 36.38 35.92 2hwp s VAL 328 CO 0.00 -0.63 0.04 -0.69 -0.31 0.00 0.00 175.10 173.51 2hwp s VAL 329 N -2.47 1.90 -1.46 1.32 1.01 0.10 -2.03 120.40 118.78 2hwp s VAL 329 Ca -0.00 -1.99 0.20 0.00 0.00 0.00 0.00 61.98 60.19 2hwp s VAL 329 Cb -0.03 -2.36 0.69 0.00 0.00 0.00 0.00 36.38 34.69 2hwp s VAL 329 CO -0.02 -0.52 1.60 -1.54 0.00 0.00 0.00 175.10 174.61 2hwp n SER 330 N 4.43 4.45 -4.43 3.32 3.41 -1.26 -1.06 113.62 122.47 2hwp n SER 330 Ca -0.00 -2.29 -0.33 0.00 -0.26 0.00 0.00 58.87 55.99 2hwp n SER 330 Cb 0.42 -0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 63.69 2hwp n SER 330 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2hwp s GLU 331 N -1.56 3.25 0.22 4.33 8.01 -1.26 -4.97 118.70 126.72 2hwp s GLU 331 Ca 0.50 -0.64 -0.32 0.00 0.01 0.00 0.00 54.97 54.53 2hwp s GLU 331 Cb 0.30 -2.64 -0.14 0.00 -4.31 0.00 0.00 34.13 27.34 2hwp s GLU 331 CO 0.28 0.33 1.31 0.39 0.01 0.00 0.00 175.26 177.58 2hwp n GLU 332 N 3.21 1.72 -2.43 1.61 -0.58 -1.26 -3.63 120.64 119.29 2hwp n GLU 332 Ca -0.18 0.61 -0.42 0.00 -0.42 0.00 0.00 57.16 56.76 2hwp n GLU 332 Cb 0.53 -2.21 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 2hwp n GLU 332 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2hwp s PRO 333 N -0.45 4.46 0.23 3.49 0.02 -1.26 -5.13 135.00 136.35 2hwp s PRO 333 Ca 0.69 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 63.22 2hwp s PRO 333 Cb -0.72 -3.33 -0.09 0.00 0.02 0.00 0.00 34.50 30.39 2hwp s PRO 333 CO 0.51 -0.20 0.87 0.42 -0.33 0.00 0.00 177.00 178.27 2hwp s ILE 334 N 0.77 4.23 -0.07 2.83 -1.09 -1.24 -4.88 121.20 121.76 2hwp s ILE 334 Ca 0.57 1.86 0.02 0.00 -2.23 0.00 0.00 60.65 60.86 2hwp s ILE 334 Cb -0.30 -4.18 0.02 0.00 -1.58 0.00 0.00 42.46 36.42 2hwp s ILE 334 CO 0.31 0.43 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.05 2hwp s TYR 335 N -1.26 1.27 -0.18 3.97 1.51 -0.22 -3.49 117.35 118.94 2hwp s TYR 335 Ca 0.41 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2hwp s TYR 335 Cb -0.23 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 2hwp s TYR 335 CO 0.28 -0.29 -0.04 0.42 -1.11 0.00 0.00 175.55 174.81 2hwp s ILE 336 N 0.89 3.63 -0.15 2.71 1.01 -0.62 0.00 121.20 128.67 2hwp s ILE 336 Ca -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2hwp s ILE 336 Cb -0.15 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 2hwp s ILE 336 CO 0.01 0.46 -0.10 -0.69 0.00 0.00 0.00 174.94 174.62 2hwp s VAL 337 N 0.84 3.20 0.26 2.92 1.01 0.73 -1.56 120.40 127.80 2hwp s VAL 337 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2hwp s VAL 337 Cb -0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2hwp s VAL 337 CO 0.01 0.50 0.06 0.28 0.00 0.00 0.00 175.10 175.95 2hwp s THR 338 N 0.59 0.81 0.49 3.92 -1.32 -0.03 0.70 115.64 120.79 2hwp s THR 338 Ca -0.06 -2.01 -0.22 0.00 -1.21 0.00 0.00 61.69 58.19 2hwp s THR 338 Cb -0.15 -2.55 -0.07 0.00 -1.51 0.00 0.00 72.50 68.22 2hwp s THR 338 CO 0.03 -0.13 1.16 -1.83 -2.21 0.00 0.00 174.62 171.64 2hwp s GLU 339 N -3.95 3.62 -0.10 7.08 -1.05 -0.16 -1.95 118.70 122.20 2hwp s GLU 339 Ca 0.34 1.74 -0.23 0.00 -0.15 0.00 0.00 54.97 56.67 2hwp s GLU 339 Cb 0.07 -2.28 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 2hwp s GLU 339 CO 0.12 -0.66 0.70 -0.47 0.95 0.00 0.00 175.26 175.90 2hwp s TYR 340 N -1.61 3.53 -0.38 4.83 5.04 -1.26 -4.29 117.35 123.22 2hwp s TYR 340 Ca 0.66 1.19 -0.04 0.00 -2.44 0.00 0.00 57.07 56.45 2hwp s TYR 340 Cb -0.27 -2.82 0.09 0.00 0.35 0.00 0.00 41.96 39.31 2hwp s TYR 340 CO 0.33 0.02 0.16 -1.64 -1.34 0.00 0.00 175.55 173.08 2hwp s MET 341 N 1.08 2.22 0.46 4.97 -1.94 -1.26 -4.97 119.30 119.86 2hwp s MET 341 Ca 0.36 -1.61 0.31 0.00 -1.71 0.00 0.00 55.69 53.04 2hwp s MET 341 Cb -0.17 -3.52 1.57 0.00 2.01 0.00 0.00 34.83 34.72 2hwp s MET 341 CO 0.16 -0.93 1.95 0.66 -0.01 0.00 0.00 175.02 176.85 2hwp h SER 342 N 8.10 0.00 -0.02 3.03 4.64 -1.88 -2.53 113.55 124.89 2hwp h SER 342 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2hwp h SER 342 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2hwp h SER 342 CO 0.67 0.00 -0.18 0.29 -0.87 0.00 0.00 176.83 176.74 2hwp n LYS 343 N -2.66 1.55 0.00 4.77 4.76 -0.41 -5.01 118.16 121.16 2hwp n LYS 343 Ca -0.01 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.25 2hwp n LYS 343 Cb 0.13 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2hwp n LYS 343 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hwp n GLY 344 N 1.09 -1.83 3.78 0.72 0.00 -0.96 -4.46 105.19 103.53 2hwp n GLY 344 Ca 0.09 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 2hwp n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwp h LEU 346 N 0.75 0.29 -0.76 0.00 5.85 0.80 -1.72 115.31 120.53 2hwp h LEU 346 Ca -0.48 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.14 2hwp h LEU 346 Cb 1.24 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2hwp h LEU 346 CO 0.56 0.61 0.50 0.25 -0.34 0.00 0.00 178.44 180.02 2hwp h LEU 347 N 0.25 0.86 -0.35 2.25 5.85 -1.72 -1.03 115.31 121.42 2hwp h LEU 347 Ca 0.03 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 2hwp h LEU 347 Cb 0.70 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2hwp h LEU 347 CO 0.05 0.62 -0.59 0.44 -0.34 0.00 0.00 178.44 178.62 2hwp h ASP 348 N 1.01 0.84 -0.15 1.25 3.32 -1.69 -2.72 116.42 118.28 2hwp h ASP 348 Ca 0.29 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.90 2hwp h ASP 348 Cb -0.09 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 2hwp h ASP 348 CO -0.07 1.24 -0.02 0.15 -1.72 0.00 0.00 179.24 178.82 2hwp h PHE 349 N 0.56 -0.05 -0.16 4.55 3.57 -1.17 -0.15 116.94 124.09 2hwp h PHE 349 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2hwp h PHE 349 Cb 1.18 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2hwp h PHE 349 CO 0.06 -0.05 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.76 2hwp h LEU 350 N 0.02 0.29 0.01 0.59 3.38 -1.17 -3.00 115.31 115.43 2hwp h LEU 350 Ca 0.07 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 2hwp h LEU 350 Cb 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2hwp h LEU 350 CO -0.14 0.57 -1.16 0.11 0.09 0.00 0.00 178.44 177.91 2hwp h LYS 351 N 0.26 0.02 0.00 1.13 1.57 -1.28 -3.36 116.57 114.91 2hwp h LYS 351 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hwp h LYS 351 Cb 0.62 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2hwp h LYS 351 CO 0.04 0.93 0.00 0.41 -0.57 0.00 0.00 179.45 180.26 2hwp n GLY 352 N 1.41 -3.12 0.30 3.86 0.00 -0.09 -4.76 105.19 102.79 2hwp n GLY 352 Ca -0.04 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 2hwp n GLY 352 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hwp h GLU 353 N 0.00 0.96 0.00 1.61 5.08 -1.87 -1.75 114.58 118.61 2hwp h GLU 353 Ca 0.00 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2hwp h GLU 353 Cb 0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2hwp h GLU 353 CO 0.00 0.92 -0.01 0.52 -1.00 0.00 0.00 179.01 179.43 2hwp h MET 354 N 0.89 0.00 -0.91 2.33 2.07 -1.92 -3.21 114.93 114.18 2hwp h MET 354 Ca 0.17 0.00 0.29 0.00 -2.07 0.00 0.00 59.70 58.09 2hwp h MET 354 Cb 0.46 0.00 -0.17 0.00 -1.87 0.00 0.00 31.60 30.02 2hwp h MET 354 CO 0.02 0.01 0.15 0.41 1.07 0.00 0.00 176.91 178.57 2hwp n GLY 355 N 0.70 -1.09 0.43 8.32 0.00 -0.66 -0.48 105.19 112.41 2hwp n GLY 355 Ca 0.03 0.85 0.12 0.00 0.00 0.00 0.00 46.02 47.02 2hwp n GLY 355 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hwp n LYS 356 N -5.26 1.58 -0.03 1.61 0.00 -1.21 -3.42 118.16 111.44 2hwp n LYS 356 Ca 0.25 -0.86 -0.01 0.00 -0.00 0.00 0.00 58.31 57.69 2hwp n LYS 356 Cb 0.83 -1.43 -0.14 0.00 -0.00 0.00 0.00 35.03 34.29 2hwp n LYS 356 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2hwp n TYR 357 N 0.06 0.33 -1.74 5.58 4.02 0.36 -4.95 117.16 120.83 2hwp n TYR 357 Ca 0.18 0.11 -0.42 0.00 -0.01 0.00 0.00 57.90 57.76 2hwp n TYR 357 Cb 0.30 -0.89 -0.01 0.00 -0.02 0.00 0.00 39.34 38.72 2hwp n TYR 357 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2hwp n LEU 358 N -2.65 4.22 -4.47 7.72 4.77 -1.18 -5.03 117.00 120.38 2hwp n LEU 358 Ca -0.17 1.16 -0.22 0.00 -0.03 0.00 0.00 56.01 56.75 2hwp n LEU 358 Cb 0.88 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.29 2hwp n LEU 358 CO 0.44 0.04 -0.30 -0.13 -1.33 0.00 0.00 177.39 176.11 2hwp s ARG 359 N -0.77 1.67 0.22 3.23 1.81 -1.26 -4.72 118.95 119.13 2hwp s ARG 359 Ca 0.63 -1.91 -0.11 0.00 -1.72 0.00 0.00 55.73 52.62 2hwp s ARG 359 Cb -0.52 -1.05 0.31 0.00 -0.45 0.00 0.00 34.95 33.24 2hwp s ARG 359 CO 0.51 -0.11 1.37 1.28 -0.68 0.00 0.00 175.30 177.67 2hwp n LEU 360 N -0.70 -0.45 -0.33 2.53 4.77 -1.26 -0.22 117.00 121.35 2hwp n LEU 360 Ca -0.03 1.53 0.04 0.00 -0.03 0.00 0.00 56.01 57.51 2hwp n LEU 360 Cb 0.66 -0.40 0.19 0.00 -2.33 0.00 0.00 43.42 41.53 2hwp n LEU 360 CO 0.43 -1.42 1.19 -0.65 -1.33 0.00 0.00 177.39 175.61 2hwp h PRO 361 N 0.00 0.91 -0.08 3.23 0.11 -1.97 0.60 132.00 134.79 2hwp h PRO 361 Ca 0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 2hwp h PRO 361 Cb 0.58 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2hwp h PRO 361 CO -0.89 0.60 0.02 1.96 -0.21 0.00 0.00 178.00 179.48 2hwp h GLN 362 N 0.93 0.13 -0.38 1.05 7.50 -1.00 -2.01 115.11 121.34 2hwp h GLN 362 Ca 0.43 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.50 2hwp h GLN 362 Cb 0.35 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 2hwp h GLN 362 CO -0.23 0.32 0.01 -0.07 -1.50 0.00 0.00 178.83 177.36 2hwp h LEU 363 N -0.08 0.55 -0.29 1.46 3.38 0.23 -0.83 115.31 119.74 2hwp h LEU 363 Ca 0.03 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 2hwp h LEU 363 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2hwp h LEU 363 CO 0.00 0.62 -0.78 0.58 0.09 0.00 0.00 178.44 178.95 2hwp h VAL 364 N 0.56 1.34 -0.46 1.22 2.07 0.13 -1.01 116.25 120.10 2hwp h VAL 364 Ca 0.12 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 2hwp h VAL 364 Cb 0.34 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2hwp h VAL 364 CO 0.01 0.65 0.23 -0.78 0.02 0.00 0.00 177.57 177.70 2hwp h ASP 365 N 0.36 0.60 -0.79 0.57 3.58 -1.03 -0.65 116.42 119.06 2hwp h ASP 365 Ca -0.05 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.30 2hwp h ASP 365 Cb 1.38 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2hwp h ASP 365 CO 0.14 0.56 0.52 0.24 -2.88 0.00 0.00 179.24 177.82 2hwp h MET 366 N 0.61 1.01 -0.47 0.28 2.86 -0.94 -2.05 114.93 116.23 2hwp h MET 366 Ca 0.16 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2hwp h MET 366 Cb 0.11 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2hwp h MET 366 CO -0.02 0.67 0.13 0.00 1.06 0.00 0.00 176.91 178.74 2hwp h ALA 367 N 1.31 1.35 -0.36 6.32 0.00 -0.77 -1.52 119.26 125.58 2hwp h ALA 367 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2hwp h ALA 367 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2hwp h ALA 367 CO -0.08 0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.52 2hwp h ALA 368 N 1.46 1.13 -0.16 0.00 0.00 -0.49 0.84 119.26 122.04 2hwp h ALA 368 Ca 0.16 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2hwp h ALA 368 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hwp h ALA 368 CO -0.01 0.55 -0.65 1.96 0.00 0.00 0.00 179.25 181.10 2hwp h GLN 369 N 0.58 0.61 -0.06 0.00 4.20 -0.86 -0.71 115.11 118.86 2hwp h GLN 369 Ca 0.10 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2hwp h GLN 369 Cb 0.53 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 2hwp h GLN 369 CO 0.03 1.06 0.02 0.82 -0.67 0.00 0.00 178.83 180.09 2hwp h ILE 370 N 0.44 1.18 -0.78 2.54 2.04 -0.98 -0.39 117.51 121.56 2hwp h ILE 370 Ca -0.02 -0.54 0.13 0.00 1.00 0.00 0.00 64.86 65.44 2hwp h ILE 370 Cb 1.23 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 38.64 2hwp h ILE 370 CO 0.12 0.15 0.36 0.00 0.00 0.00 0.00 178.15 178.79 2hwp h ALA 371 N 0.81 1.12 -0.31 1.87 0.00 -0.75 0.91 119.26 122.92 2hwp h ALA 371 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2hwp h ALA 371 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2hwp h ALA 371 CO -0.00 -0.13 0.16 1.03 0.00 0.00 0.00 179.25 180.31 2hwp h SER 372 N 0.54 0.39 -0.85 0.00 0.87 -0.83 0.52 113.55 114.20 2hwp h SER 372 Ca 0.42 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 2hwp h SER 372 Cb 0.58 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 2hwp h SER 372 CO -0.36 0.37 0.54 1.23 -0.53 0.00 0.00 176.83 178.09 2hwp h GLY 373 N 0.37 1.23 2.00 5.77 0.00 -0.23 -2.09 103.07 110.13 2hwp h GLY 373 Ca 0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2hwp h GLY 373 CO -0.02 0.34 -0.20 -0.33 0.00 0.00 0.00 176.54 176.34 2hwp h MET 374 N 1.05 0.00 -0.50 4.80 2.86 -0.10 -2.56 114.93 120.48 2hwp h MET 374 Ca 0.34 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.85 2hwp h MET 374 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2hwp h MET 374 CO -0.12 0.20 -0.18 0.00 1.06 0.00 0.00 176.91 177.87 2hwp h ALA 375 N 1.80 0.69 -0.41 6.32 0.00 0.71 0.13 119.26 128.49 2hwp h ALA 375 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2hwp h ALA 375 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2hwp h ALA 375 CO 0.03 0.66 0.11 -0.92 0.00 0.00 0.00 179.25 179.13 2hwp h TYR 376 N 0.86 0.68 -0.67 0.00 3.20 -1.20 0.78 116.97 120.63 2hwp h TYR 376 Ca 0.12 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.96 2hwp h TYR 376 Cb 0.76 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 2hwp h TYR 376 CO 0.05 0.64 0.40 0.28 -1.64 0.00 0.00 178.16 177.89 2hwp h VAL 377 N 0.53 1.03 -0.20 1.81 2.07 -1.26 -0.69 116.25 119.54 2hwp h VAL 377 Ca 0.13 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2hwp h VAL 377 Cb 0.29 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2hwp h VAL 377 CO -0.00 0.14 -0.17 -0.08 0.02 0.00 0.00 177.57 177.48 2hwp h GLU 378 N 0.76 -0.17 0.00 1.57 4.81 -0.32 -1.58 114.58 119.64 2hwp h GLU 378 Ca 0.29 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2hwp h GLU 378 Cb 0.11 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2hwp h GLU 378 CO -0.14 -0.11 -0.10 0.00 -0.73 0.00 0.00 179.01 177.92 2hwp h ARG 379 N -0.18 0.00 -0.34 1.92 3.08 -0.09 -2.26 114.38 116.51 2hwp h ARG 379 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2hwp h ARG 379 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2hwp h ARG 379 CO -0.31 0.10 0.00 -1.33 -1.07 0.00 0.00 179.97 177.36 2hwp n MET 380 N -3.32 2.04 -3.54 0.04 2.81 -0.34 -4.94 117.12 109.87 2hwp n MET 380 Ca -0.01 -1.59 -0.26 0.00 -1.81 0.00 0.00 57.70 54.04 2hwp n MET 380 Cb 0.30 -1.41 0.04 0.00 -0.71 0.00 0.00 33.22 31.44 2hwp n MET 380 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2hwp n ASN 381 N 0.80 -5.48 -4.95 7.83 5.03 -0.85 -5.01 115.26 112.63 2hwp n ASN 381 Ca 0.17 -0.54 -0.19 0.00 0.87 0.00 0.00 54.58 54.88 2hwp n ASN 381 Cb 0.41 -4.38 -0.01 0.00 -1.02 0.00 0.00 39.78 34.78 2hwp n ASN 381 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2hwp s TYR 382 N -3.23 2.96 -0.04 3.10 1.51 -0.63 -5.06 117.35 115.97 2hwp s TYR 382 Ca 0.53 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 56.33 2hwp s TYR 382 Cb -0.25 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 2hwp s TYR 382 CO 0.65 -0.04 -0.17 0.08 -1.11 0.00 0.00 175.55 174.96 2hwp s VAL 383 N -2.27 1.43 -0.18 0.71 1.01 -1.26 -4.51 120.40 115.33 2hwp s VAL 383 Ca 0.46 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2hwp s VAL 383 Cb -0.08 -1.22 -0.19 0.00 0.00 0.00 0.00 36.38 34.89 2hwp s VAL 383 CO 0.30 0.41 0.33 -0.74 0.00 0.00 0.00 175.10 175.40 2hwp h HIS 384 N 6.16 0.00 0.00 5.22 2.76 -1.96 -3.48 115.15 123.85 2hwp h HIS 384 Ca -0.33 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2hwp h HIS 384 Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2hwp h HIS 384 CO 0.43 1.12 0.00 2.89 -1.30 0.00 0.00 177.93 181.07 2hwp n ARG 385 N -4.52 0.00 -1.86 5.26 1.85 -1.26 -4.70 116.66 111.43 2hwp n ARG 385 Ca -0.21 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.58 2hwp n ARG 385 Cb 0.54 -0.59 0.07 0.00 -1.05 0.00 0.00 32.46 31.43 2hwp n ARG 385 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2hwp n ASP 386 N 0.33 2.52 -4.70 2.89 5.68 -1.26 -4.99 116.55 117.02 2hwp n ASP 386 Ca 0.00 -2.94 -0.42 0.00 -0.50 0.00 0.00 54.79 50.93 2hwp n ASP 386 Cb 0.00 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 39.54 2hwp n ASP 386 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2hwp s LEU 387 N -2.88 4.34 0.00 -2.12 2.96 -1.26 -4.78 118.68 114.94 2hwp s LEU 387 Ca 0.38 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 2hwp s LEU 387 Cb 0.37 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.49 2hwp s LEU 387 CO -0.05 -0.64 0.00 -2.11 -1.32 0.00 0.00 176.35 172.23 2hwp n ARG 388 N 4.71 0.00 -0.33 1.98 1.85 -1.26 -4.71 116.66 118.90 2hwp n ARG 388 Ca 0.12 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 57.11 2hwp n ARG 388 Cb 0.44 0.00 0.33 0.00 -1.05 0.00 0.00 32.46 32.18 2hwp n ARG 388 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hwp h ALA 389 N 0.00 1.60 0.00 2.89 0.00 -1.92 -0.26 119.26 121.56 2hwp h ALA 389 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hwp h ALA 389 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hwp h ALA 389 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.99 2hwp h ALA 390 N 1.70 1.00 -0.45 0.00 0.00 -1.95 -1.99 119.26 117.57 2hwp h ALA 390 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2hwp h ALA 390 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2hwp h ALA 390 CO -0.48 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.86 2hwp n ASN 391 N -2.98 3.47 -4.64 0.00 3.02 -0.12 -4.73 115.26 109.28 2hwp n ASN 391 Ca -0.01 -2.17 -0.35 0.00 -0.03 0.00 0.00 54.58 52.02 2hwp n ASN 391 Cb 0.16 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 2hwp n ASN 391 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2hwp s ILE 392 N -1.31 4.44 0.01 2.41 -1.09 -0.78 -2.05 121.20 122.83 2hwp s ILE 392 Ca 0.34 -0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2hwp s ILE 392 Cb 0.20 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 2hwp s ILE 392 CO 0.20 0.54 0.16 -0.76 -1.23 0.00 0.00 174.94 173.84 2hwp s LEU 393 N -0.24 4.23 0.01 2.97 1.43 0.28 0.11 118.68 127.46 2hwp s LEU 393 Ca 0.06 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 2hwp s LEU 393 Cb -0.12 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2hwp s LEU 393 CO 0.02 0.24 -0.20 -0.69 0.23 0.00 0.00 176.35 175.94 2hwp s VAL 394 N -1.35 2.57 0.00 -1.59 1.01 0.24 -0.57 120.40 120.71 2hwp s VAL 394 Ca 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2hwp s VAL 394 Cb -0.13 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2hwp s VAL 394 CO 0.20 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2hwp n GLY 395 N 1.97 7.15 3.75 4.51 0.00 0.12 -1.29 105.19 121.40 2hwp n GLY 395 Ca -0.16 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 2hwp n GLY 395 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hwp s GLU 396 N 0.97 2.43 -1.51 1.61 2.56 -1.26 -3.62 118.70 119.87 2hwp s GLU 396 Ca 0.00 1.45 -0.13 0.00 0.00 0.00 0.00 54.97 56.29 2hwp s GLU 396 Cb 0.00 -1.90 0.09 0.00 2.00 0.00 0.00 34.13 34.32 2hwp s GLU 396 CO 0.00 -1.55 0.85 -1.71 -0.56 0.00 0.00 175.26 172.29 2hwp n ASN 397 N -2.80 -4.60 -2.05 -1.70 4.05 -1.26 -1.98 115.26 104.93 2hwp n ASN 397 Ca 0.11 -0.69 -0.14 0.00 0.45 0.00 0.00 54.58 54.31 2hwp n ASN 397 Cb 0.52 -3.70 -0.03 0.00 1.23 0.00 0.00 39.78 37.80 2hwp n ASN 397 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2hwp n LEU 398 N -4.44 -1.17 -4.72 1.20 4.77 -1.24 -4.94 117.00 106.47 2hwp n LEU 398 Ca 0.03 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 2hwp n LEU 398 Cb 0.53 -2.19 -0.03 0.00 -2.33 0.00 0.00 43.42 39.40 2hwp n LEU 398 CO 0.70 -0.36 1.15 -0.69 -1.33 0.00 0.00 177.39 176.87 2hwp s VAL 399 N -2.49 2.96 -0.02 4.08 1.01 -0.84 -4.80 120.40 120.30 2hwp s VAL 399 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 61.98 62.70 2hwp s VAL 399 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2hwp s VAL 399 CO 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 175.10 175.03 2hwp s LYS 401 N -1.10 0.32 0.13 0.00 1.02 0.26 -4.69 119.74 115.68 2hwp s LYS 401 Ca 0.14 -0.41 -0.28 0.00 0.02 0.00 0.00 55.97 55.44 2hwp s LYS 401 Cb -0.11 0.13 -0.07 0.00 -0.52 0.00 0.00 37.83 37.26 2hwp s LYS 401 CO 0.04 -0.06 0.88 0.08 -0.92 0.00 0.00 175.35 175.37 2hwp s VAL 402 N -1.16 4.46 0.03 3.17 1.01 -0.03 -0.56 120.40 127.32 2hwp s VAL 402 Ca -0.13 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 2hwp s VAL 402 Cb -0.07 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 2hwp s VAL 402 CO 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 2hwp n ALA 403 N 2.38 2.66 0.00 5.51 0.00 -0.87 -1.94 120.51 128.26 2hwp n ALA 403 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2hwp n ALA 403 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2hwp n ALA 403 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hwp n PHE 424 N -2.99 0.00 -2.68 0.00 7.35 -1.26 -4.98 117.46 112.90 2hwp n PHE 424 Ca -0.01 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 2hwp n PHE 424 Cb 0.03 -0.04 -0.03 0.00 0.35 0.00 0.00 39.48 39.79 2hwp n PHE 424 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2hwp s PRO 425 N 0.00 3.25 0.21 -7.13 0.04 -1.26 -5.05 135.00 125.06 2hwp s PRO 425 Ca 0.00 -0.66 -0.09 0.00 0.04 0.00 0.00 61.00 60.29 2hwp s PRO 425 Cb 0.00 -4.41 0.28 0.00 0.04 0.00 0.00 34.50 30.41 2hwp s PRO 425 CO 0.00 -2.03 1.78 0.97 0.04 0.00 0.00 177.00 177.76 2hwp h ILE 426 N 6.10 0.86 -0.01 0.56 6.09 -1.99 -1.94 117.51 127.19 2hwp h ILE 426 Ca -0.19 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 2hwp h ILE 426 Cb 1.05 0.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 2hwp h ILE 426 CO 1.26 0.10 0.11 0.11 -3.07 0.00 0.00 178.15 176.66 2hwp h LYS 427 N 0.55 0.00 -0.06 2.19 1.57 -1.96 -0.87 116.57 117.99 2hwp h LYS 427 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2hwp h LYS 427 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2hwp h LYS 427 CO -0.25 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.54 2hwp n TRP 428 N -3.07 0.07 -4.45 -1.35 8.01 -0.76 -4.98 117.44 110.91 2hwp n TRP 428 Ca -0.03 -0.07 -0.34 0.00 -1.31 0.00 0.00 57.50 55.75 2hwp n TRP 428 Cb 0.17 -0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.37 2hwp n TRP 428 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2hwp s THR 429 N -1.01 4.08 0.48 -0.99 2.01 -0.33 -3.96 115.64 115.92 2hwp s THR 429 Ca 0.16 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 2hwp s THR 429 Cb 0.11 -2.71 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 2hwp s THR 429 CO 0.15 0.58 1.29 0.00 -0.69 0.00 0.00 174.62 175.95 2hwp s ALA 430 N -0.88 2.99 0.20 7.40 0.00 -1.26 -4.77 121.76 125.44 2hwp s ALA 430 Ca 0.14 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 2hwp s ALA 430 Cb -0.11 -3.49 0.19 0.00 0.00 0.00 0.00 23.12 19.70 2hwp s ALA 430 CO 0.03 -1.02 1.61 -1.35 0.00 0.00 0.00 175.76 175.03 2hwp h PRO 431 N 1.96 -0.07 0.00 0.00 0.11 -1.97 0.21 132.00 132.24 2hwp h PRO 431 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2hwp h PRO 431 Cb 1.27 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2hwp h PRO 431 CO 0.60 -0.05 0.00 1.05 -0.21 0.00 0.00 178.00 179.39 2hwp h GLU 432 N -0.08 0.00 0.13 1.05 9.09 -1.92 -1.48 114.58 121.38 2hwp h GLU 432 Ca 0.27 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.32 2hwp h GLU 432 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 2hwp h GLU 432 CO -0.64 0.00 -1.93 0.00 0.05 0.00 0.00 179.01 176.49 2hwp h ALA 433 N 2.09 0.41 -0.32 1.06 0.00 -0.83 -1.33 119.26 120.34 2hwp h ALA 433 Ca 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 54.91 53.41 2hwp h ALA 433 Cb 0.40 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2hwp h ALA 433 CO 0.00 1.28 -0.40 0.00 0.00 0.00 0.00 179.25 180.13 2hwp h ALA 434 N 0.14 0.70 0.00 0.00 0.00 -0.73 -2.23 119.26 117.15 2hwp h ALA 434 Ca -0.40 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 2hwp h ALA 434 Cb 2.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2hwp h ALA 434 CO 0.11 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 179.37 2hwp h LEU 435 N 0.63 0.00 -3.03 0.00 3.38 -1.44 -3.41 115.31 111.44 2hwp h LEU 435 Ca 0.05 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2hwp h LEU 435 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2hwp h LEU 435 CO 0.09 1.09 0.00 -1.22 0.09 0.00 0.00 178.44 178.49 2hwp n TYR 436 N -4.56 0.34 -2.02 1.13 4.01 -1.10 -5.00 117.16 109.96 2hwp n TYR 436 Ca -0.17 -0.70 -0.21 0.00 -0.16 0.00 0.00 57.90 56.66 2hwp n TYR 436 Cb 0.46 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 2hwp n TYR 436 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hwp n GLY 437 N -0.44 0.70 3.48 2.72 0.00 -0.84 -4.92 105.19 105.90 2hwp n GLY 437 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2hwp n GLY 437 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hwp s ARG 438 N -4.44 3.70 -0.10 1.61 3.52 -0.52 -4.93 118.95 117.79 2hwp s ARG 438 Ca 0.00 -1.77 -0.23 0.00 -0.13 0.00 0.00 55.73 53.60 2hwp s ARG 438 Cb 0.00 -5.07 -0.03 0.00 -1.56 0.00 0.00 34.95 28.29 2hwp s ARG 438 CO 0.00 -1.89 0.68 -0.06 -0.81 0.00 0.00 175.30 173.22 2hwp s PHE 439 N 3.07 3.52 0.00 5.12 0.40 -1.26 -4.00 117.98 124.84 2hwp s PHE 439 Ca 0.38 1.17 -0.08 0.00 -0.60 0.00 0.00 56.93 57.80 2hwp s PHE 439 Cb -0.03 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.70 2hwp s PHE 439 CO -0.07 0.02 0.16 -0.08 0.70 0.00 0.00 175.22 175.95 2hwp s THR 440 N 1.10 0.08 0.50 0.64 -1.32 -1.26 -4.98 115.64 110.41 2hwp s THR 440 Ca 0.35 -0.66 0.28 0.00 -1.21 0.00 0.00 61.69 60.45 2hwp s THR 440 Cb -0.17 -0.46 0.46 0.00 -1.51 0.00 0.00 72.50 70.82 2hwp s THR 440 CO 0.16 -0.36 1.87 -0.29 -2.21 0.00 0.00 174.62 173.78 2hwp h ILE 441 N 4.20 0.57 0.00 5.08 6.09 -1.96 0.50 117.51 131.99 2hwp h ILE 441 Ca -0.31 -0.04 -0.05 0.00 -1.37 0.00 0.00 64.86 63.10 2hwp h ILE 441 Cb 1.19 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 2hwp h ILE 441 CO 0.40 0.02 -0.22 0.11 -3.07 0.00 0.00 178.15 175.40 2hwp h LYS 442 N 0.12 0.00 0.00 2.19 1.79 -1.94 -1.42 116.57 117.30 2hwp h LYS 442 Ca 0.46 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.78 2hwp h LYS 442 Cb 1.61 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.24 2hwp h LYS 442 CO -0.06 0.22 -0.73 0.66 -1.08 0.00 0.00 179.45 178.46 2hwp h SER 443 N 0.00 0.00 -0.69 0.86 4.64 -0.39 -2.76 113.55 115.21 2hwp h SER 443 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2hwp h SER 443 Cb 0.79 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 2hwp h SER 443 CO 0.03 0.69 0.18 0.44 -0.87 0.00 0.00 176.83 177.30 2hwp h ASP 444 N 0.00 1.04 -0.92 4.97 3.32 -0.48 -2.41 116.42 121.94 2hwp h ASP 444 Ca -0.01 -0.23 0.13 0.00 0.02 0.00 0.00 57.03 56.94 2hwp h ASP 444 Cb 1.54 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 2hwp h ASP 444 CO 0.09 0.99 0.59 0.58 -1.72 0.00 0.00 179.24 179.77 2hwp h VAL 445 N 1.03 0.89 -0.48 -1.35 2.07 -1.22 0.11 116.25 117.30 2hwp h VAL 445 Ca 0.22 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2hwp h VAL 445 Cb 0.35 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2hwp h VAL 445 CO -0.00 0.15 0.30 -0.25 0.02 0.00 0.00 177.57 177.79 2hwp h TRP 446 N 0.81 0.63 -0.52 1.57 2.91 -1.18 -2.44 115.95 117.72 2hwp h TRP 446 Ca 0.45 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.41 2hwp h TRP 446 Cb 0.59 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 2hwp h TRP 446 CO -0.00 0.43 0.05 0.77 -1.03 0.00 0.00 178.44 178.65 2hwp h SER 447 N 0.65 0.82 -0.60 2.65 0.02 -0.49 -2.62 113.55 113.97 2hwp h SER 447 Ca 0.17 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2hwp h SER 447 Cb -0.03 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 2hwp h SER 447 CO -0.03 0.85 0.36 0.15 -1.14 0.00 0.00 176.83 177.02 2hwp h PHE 448 N 0.80 0.68 -0.89 3.45 3.57 -0.60 0.19 116.94 124.13 2hwp h PHE 448 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2hwp h PHE 448 Cb 0.42 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 2hwp h PHE 448 CO 0.02 0.38 0.59 0.78 -2.23 0.00 0.00 178.31 177.85 2hwp h GLY 449 N 0.71 1.29 0.98 2.40 0.00 -1.09 0.90 103.07 108.26 2hwp h GLY 449 Ca 0.25 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2hwp h GLY 449 CO -0.11 0.36 0.07 -2.22 0.00 0.00 0.00 176.54 174.64 2hwp h ILE 450 N 1.09 1.25 -0.76 2.60 1.08 -1.01 -2.94 117.51 118.83 2hwp h ILE 450 Ca 0.36 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.95 2hwp h ILE 450 Cb 0.07 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 2hwp h ILE 450 CO -0.12 0.33 0.50 0.25 -0.69 0.00 0.00 178.15 178.42 2hwp h LEU 451 N 0.67 0.74 -1.62 1.44 6.46 0.44 0.16 115.31 123.60 2hwp h LEU 451 Ca 0.14 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2hwp h LEU 451 Cb 0.40 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2hwp h LEU 451 CO 0.01 0.49 0.29 -0.07 -0.62 0.00 0.00 178.44 178.55 2hwp h LEU 452 N 0.85 0.44 -0.63 2.25 3.38 -0.69 0.21 115.31 121.12 2hwp h LEU 452 Ca 0.32 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 2hwp h LEU 452 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2hwp h LEU 452 CO -0.10 0.31 -0.66 0.71 0.09 0.00 0.00 178.44 178.78 2hwp h THR 453 N 0.51 1.44 -0.35 0.22 1.35 -0.60 -1.06 112.91 114.43 2hwp h THR 453 Ca 0.17 -2.20 -0.04 0.00 -0.55 0.00 0.00 66.41 63.80 2hwp h THR 453 Cb 0.07 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 2hwp h THR 453 CO -0.04 0.64 0.05 -0.33 -0.25 0.00 0.00 175.52 175.58 2hwp h GLU 454 N 0.08 0.59 -0.42 4.72 5.08 -0.35 -1.73 114.58 122.54 2hwp h GLU 454 Ca -0.01 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2hwp h GLU 454 Cb 1.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2hwp h GLU 454 CO 0.09 0.67 0.25 -0.07 -1.00 0.00 0.00 179.01 178.95 2hwp h LEU 455 N 0.42 0.51 -0.09 1.33 3.38 -0.47 0.34 115.31 120.73 2hwp h LEU 455 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2hwp h LEU 455 Cb 0.37 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2hwp h LEU 455 CO 0.01 0.42 -0.17 0.35 0.09 0.00 0.00 178.44 179.14 2hwp n THR 456 N -4.75 0.00 0.08 0.22 -2.24 -0.41 -2.66 114.28 104.53 2hwp n THR 456 Ca 0.01 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2hwp n THR 456 Cb 0.06 -0.15 0.15 0.00 -2.10 0.00 0.00 70.33 68.29 2hwp n THR 456 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2hwp n THR 457 N -1.28 0.63 -2.59 4.28 -2.24 -0.66 -4.92 114.28 107.49 2hwp n THR 457 Ca 0.10 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 2hwp n THR 457 Cb 0.31 0.80 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 2hwp n THR 457 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hwp n LYS 458 N 0.87 -2.56 0.00 -0.78 4.76 -0.84 -3.81 118.16 115.80 2hwp n LYS 458 Ca 0.13 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 2hwp n LYS 458 Cb 0.45 -4.93 0.00 0.00 -1.84 0.00 0.00 35.03 28.71 2hwp n LYS 458 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hwp n GLY 459 N -1.18 1.05 3.77 0.72 0.00 0.11 -3.88 105.19 105.77 2hwp n GLY 459 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2hwp n GLY 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hwp s ARG 460 N -0.70 4.01 0.17 1.61 1.81 -1.25 -4.93 118.95 119.66 2hwp s ARG 460 Ca 0.00 2.28 -0.34 0.00 -1.72 0.00 0.00 55.73 55.95 2hwp s ARG 460 Cb 0.00 -2.83 -0.15 0.00 -0.45 0.00 0.00 34.95 31.53 2hwp s ARG 460 CO 0.00 -0.51 1.37 0.28 -0.68 0.00 0.00 175.30 175.77 2hwp n VAL 461 N 0.24 0.48 -0.98 3.52 0.31 -1.26 -4.64 118.33 115.99 2hwp n VAL 461 Ca 0.03 -0.12 -0.31 0.00 -0.01 0.00 0.00 64.34 63.93 2hwp n VAL 461 Cb 0.42 -1.18 0.13 0.00 -0.91 0.00 0.00 33.84 32.30 2hwp n VAL 461 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2hwp s PRO 462 N 0.14 1.60 -1.20 5.55 0.02 -1.26 -4.05 135.00 135.79 2hwp s PRO 462 Ca 0.76 1.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 2hwp s PRO 462 Cb -0.78 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.91 2hwp s PRO 462 CO 0.47 -2.16 0.82 0.66 -0.33 0.00 0.00 177.00 176.46 2hwp n TYR 463 N -3.89 -2.09 -1.68 6.54 4.01 -1.26 -4.78 117.16 114.01 2hwp n TYR 463 Ca 0.10 0.81 -0.59 0.00 -0.16 0.00 0.00 57.90 58.06 2hwp n TYR 463 Cb 0.53 -4.34 -0.08 0.00 -0.31 0.00 0.00 39.34 35.14 2hwp n TYR 463 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2hwp n PRO 464 N -4.01 0.83 -0.40 -0.72 -0.02 -1.26 -0.42 135.00 129.02 2hwp n PRO 464 Ca -0.22 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2hwp n PRO 464 Cb 0.65 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2hwp n PRO 464 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hwp n GLY 465 N 3.67 1.32 3.88 -1.23 0.00 -1.26 -5.02 105.19 106.55 2hwp n GLY 465 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2hwp n GLY 465 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hwp s MET 466 N -0.33 3.63 0.14 1.61 -1.94 0.44 -5.10 119.30 117.76 2hwp s MET 466 Ca 0.00 -0.02 -0.00 0.00 -1.71 0.00 0.00 55.69 53.96 2hwp s MET 466 Cb 0.00 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 2hwp s MET 466 CO 0.00 0.61 0.31 0.08 -0.01 0.00 0.00 175.02 176.01 2hwp s VAL 467 N -1.36 5.28 0.31 -6.03 1.01 -1.26 -4.87 120.40 113.48 2hwp s VAL 467 Ca 0.30 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2hwp s VAL 467 Cb -0.13 -3.69 0.36 0.00 0.00 0.00 0.00 36.38 32.92 2hwp s VAL 467 CO 0.18 -0.04 1.60 0.78 0.00 0.00 0.00 175.10 177.62 2hwp h ASN 468 N 2.44 -0.22 0.68 3.32 2.35 -1.99 0.39 115.58 122.55 2hwp h ASN 468 Ca -0.47 0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.41 2hwp h ASN 468 Cb 1.18 0.38 -0.02 0.00 0.05 0.00 0.00 38.32 39.91 2hwp h ASN 468 CO 0.71 -0.29 -0.56 -0.09 -1.65 0.00 0.00 177.43 175.55 2hwp h ARG 469 N 0.08 0.00 0.00 0.81 9.65 -2.00 -1.47 114.38 121.45 2hwp h ARG 469 Ca 0.60 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.36 2hwp h ARG 469 Cb 1.28 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 2hwp h ARG 469 CO -0.80 0.56 -0.58 1.49 2.80 0.00 0.00 179.97 183.44 2hwp h GLU 470 N 0.00 0.00 -0.07 0.20 4.81 -0.71 -2.51 114.58 116.30 2hwp h GLU 470 Ca -0.01 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2hwp h GLU 470 Cb 1.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.44 2hwp h GLU 470 CO 0.07 0.58 -0.63 0.28 -0.73 0.00 0.00 179.01 178.59 2hwp h VAL 471 N 0.00 1.36 0.41 0.32 2.07 -0.16 -2.37 116.25 117.87 2hwp h VAL 471 Ca -0.01 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 2hwp h VAL 471 Cb 1.09 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 2hwp h VAL 471 CO 0.08 0.59 -0.30 -0.07 0.02 0.00 0.00 177.57 177.88 2hwp h LEU 472 N 0.14 -0.79 -0.21 2.57 -0.00 -1.30 -1.46 115.31 114.26 2hwp h LEU 472 Ca -0.06 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2hwp h LEU 472 Cb 1.29 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 2hwp h LEU 472 CO 0.13 -0.46 0.10 0.44 -0.00 0.00 0.00 178.44 178.65 2hwp h ASP 473 N -0.70 0.15 -0.31 -0.43 3.45 -1.50 -0.40 116.42 116.67 2hwp h ASP 473 Ca -0.04 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.31 2hwp h ASP 473 Cb 0.60 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 2hwp h ASP 473 CO 0.00 0.12 -0.23 1.56 -1.57 0.00 0.00 179.24 179.12 2hwp h GLN 474 N 0.22 0.80 -0.32 3.56 1.08 -1.44 -2.42 115.11 116.59 2hwp h GLN 474 Ca 0.08 -0.33 -0.14 0.00 -1.45 0.00 0.00 58.65 56.81 2hwp h GLN 474 Cb 0.02 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2hwp h GLN 474 CO -0.06 0.96 -0.36 0.28 -0.95 0.00 0.00 178.83 178.70 2hwp h VAL 475 N 0.70 1.29 -0.81 -0.54 2.07 -1.08 0.16 116.25 118.04 2hwp h VAL 475 Ca 0.09 -1.54 0.16 0.00 0.82 0.00 0.00 66.70 66.24 2hwp h VAL 475 Cb 0.75 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2hwp h VAL 475 CO 0.06 0.50 0.54 -0.33 0.02 0.00 0.00 177.57 178.36 2hwp h GLU 476 N 0.59 0.43 -0.34 1.57 4.39 -0.91 0.14 114.58 120.46 2hwp h GLU 476 Ca 0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2hwp h GLU 476 Cb 0.95 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2hwp h GLU 476 CO 0.09 0.29 0.00 0.54 -1.16 0.00 0.00 179.01 178.76 2hwp n ARG 477 N -4.50 1.75 -0.60 2.33 5.12 -0.92 -4.92 116.66 114.92 2hwp n ARG 477 Ca 0.16 -1.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 2hwp n ARG 477 Cb 0.57 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 2hwp n ARG 477 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hwp n GLY 478 N 0.90 0.70 3.76 -0.13 0.00 0.48 -5.06 105.19 105.84 2hwp n GLY 478 Ca 0.10 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2hwp n GLY 478 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hwp s TYR 479 N -2.00 2.47 -0.09 1.61 5.04 0.54 -4.98 117.35 119.94 2hwp s TYR 479 Ca 0.00 1.39 -0.09 0.00 -2.44 0.00 0.00 57.07 55.93 2hwp s TYR 479 Cb 0.00 -3.73 0.02 0.00 0.35 0.00 0.00 41.96 38.61 2hwp s TYR 479 CO 0.00 -2.57 0.26 1.03 -1.34 0.00 0.00 175.55 172.93 2hwp s ARG 480 N -2.74 0.33 0.26 4.97 1.81 -1.26 -4.40 118.95 117.91 2hwp s ARG 480 Ca 0.67 0.31 -0.30 0.00 -1.72 0.00 0.00 55.73 54.70 2hwp s ARG 480 Cb -0.38 0.16 -0.14 0.00 -0.45 0.00 0.00 34.95 34.13 2hwp s ARG 480 CO 0.47 -0.05 1.10 -1.33 -0.68 0.00 0.00 175.30 174.81 2hwp n MET 481 N 2.81 1.41 -1.04 3.54 2.81 -1.26 -4.97 117.12 120.42 2hwp n MET 481 Ca -0.13 0.50 -0.30 0.00 -1.81 0.00 0.00 57.70 55.95 2hwp n MET 481 Cb 0.58 -1.94 0.24 0.00 -0.71 0.00 0.00 33.22 31.39 2hwp n MET 481 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2hwp s PRO 482 N -1.14 -1.24 0.04 0.03 0.04 -1.26 -4.95 135.00 126.53 2hwp s PRO 482 Ca 0.63 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.35 2hwp s PRO 482 Cb -0.73 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 2hwp s PRO 482 CO 0.57 -3.73 1.74 0.00 0.04 0.00 0.00 177.00 175.62 2hwp n PRO 484 N 6.33 1.17 -1.63 0.00 -0.02 -1.26 -4.91 135.00 134.68 2hwp n PRO 484 Ca 0.17 0.44 -0.47 0.00 -2.02 0.00 0.00 63.50 61.63 2hwp n PRO 484 Cb 0.41 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2hwp n PRO 484 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2hwp n PRO 485 N -1.16 1.64 -0.58 0.52 -0.02 -1.26 -1.87 135.00 132.28 2hwp n PRO 485 Ca 0.13 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2hwp n PRO 485 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2hwp n PRO 485 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2hwp n GLU 486 N 2.09 0.00 -2.87 -0.52 1.02 -1.26 -4.91 120.64 114.19 2hwp n GLU 486 Ca 0.14 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 2hwp n GLU 486 Cb 0.28 -3.49 -0.04 0.00 -0.02 0.00 0.00 31.44 28.17 2hwp n GLU 486 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hwp s PRO 488 N 0.29 4.21 0.38 0.00 0.02 -1.26 -4.82 135.00 133.83 2hwp s PRO 488 Ca 0.43 2.42 0.22 0.00 0.02 0.00 0.00 61.00 64.09 2hwp s PRO 488 Cb -0.21 -3.05 1.31 0.00 0.02 0.00 0.00 34.50 32.57 2hwp s PRO 488 CO 0.25 -0.46 1.61 1.49 -0.33 0.00 0.00 177.00 179.56 2hwp h GLU 489 N 4.33 0.10 -0.73 5.54 4.57 -1.95 -1.28 114.58 125.16 2hwp h GLU 489 Ca -0.48 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 2hwp h GLU 489 Cb 1.22 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2hwp h GLU 489 CO 0.74 0.07 0.35 0.66 -1.18 0.00 0.00 179.01 179.64 2hwp h SER 490 N 0.10 0.94 -0.31 1.04 4.64 -1.97 -0.59 113.55 117.41 2hwp h SER 490 Ca 0.82 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.91 2hwp h SER 490 Cb 2.22 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 2hwp h SER 490 CO -0.63 0.80 -0.25 0.25 -0.87 0.00 0.00 176.83 176.13 2hwp h LEU 491 N 1.04 0.82 -1.48 5.97 6.46 -1.60 -2.53 115.31 123.99 2hwp h LEU 491 Ca 0.25 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2hwp h LEU 491 Cb 0.11 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2hwp h LEU 491 CO -0.03 1.03 0.04 -0.74 -0.62 0.00 0.00 178.44 178.12 2hwp h HIS 492 N 0.69 0.38 -0.36 1.25 2.76 -1.25 -1.43 115.15 117.19 2hwp h HIS 492 Ca 0.09 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2hwp h HIS 492 Cb 0.77 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 2hwp h HIS 492 CO 0.04 0.36 -0.10 0.22 -1.30 0.00 0.00 177.93 177.15 2hwp h ASP 493 N 0.38 0.60 -0.63 3.26 3.58 -0.81 0.16 116.42 122.97 2hwp h ASP 493 Ca 0.09 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 2hwp h ASP 493 Cb 0.19 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2hwp h ASP 493 CO -0.00 0.74 0.19 0.25 -2.88 0.00 0.00 179.24 177.54 2hwp h LEU 494 N 0.57 0.95 0.47 2.28 5.85 -0.88 -1.48 115.31 123.08 2hwp h LEU 494 Ca 0.10 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2hwp h LEU 494 Cb 0.51 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2hwp h LEU 494 CO 0.03 0.90 -0.22 0.24 -0.34 0.00 0.00 178.44 179.05 2hwp h MET 495 N 0.98 -0.60 -0.38 1.25 2.86 -0.45 -2.14 114.93 116.46 2hwp h MET 495 Ca 0.21 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.00 2hwp h MET 495 Cb 0.30 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2hwp h MET 495 CO -0.01 -0.37 0.37 0.00 1.06 0.00 0.00 176.91 177.96 2hwp h GLN 497 N 0.00 0.26 0.00 0.00 4.20 -0.78 -2.83 115.11 115.96 2hwp h GLN 497 Ca 0.18 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 2hwp h GLN 497 Cb 0.91 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2hwp h GLN 497 CO -0.00 0.98 -0.18 0.00 -0.67 0.00 0.00 178.83 178.96 2hwp n TRP 499 N -3.34 1.87 -1.92 0.00 8.01 -0.73 -3.80 117.44 117.53 2hwp n TRP 499 Ca 0.00 -1.25 -0.39 0.00 -1.31 0.00 0.00 57.50 54.55 2hwp n TRP 499 Cb 0.40 -0.58 0.01 0.00 -2.01 0.00 0.00 31.31 29.13 2hwp n TRP 499 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2hwp s ARG 500 N -3.03 3.65 0.49 -0.99 0.52 -1.18 -4.88 118.95 113.52 2hwp s ARG 500 Ca 0.50 2.24 0.14 0.00 -0.52 0.00 0.00 55.73 58.09 2hwp s ARG 500 Cb 0.41 -2.57 1.16 0.00 0.52 0.00 0.00 34.95 34.47 2hwp s ARG 500 CO 0.09 -0.78 2.11 1.57 0.02 0.00 0.00 175.30 178.31 2hwp h LYS 501 N 2.20 0.16 -4.94 3.54 5.09 -1.94 -3.37 116.57 117.32 2hwp h LYS 501 Ca -0.50 -0.01 -0.68 0.00 0.09 0.00 0.00 60.65 59.54 2hwp h LYS 501 Cb 1.27 -0.04 -0.18 0.00 0.10 0.00 0.00 32.23 33.38 2hwp h LYS 501 CO 0.61 0.11 0.14 0.16 -2.09 0.00 0.00 179.45 178.37 2hwp s ASP 502 N -6.87 6.21 0.36 7.07 1.47 -1.26 -4.91 116.67 118.74 2hwp s ASP 502 Ca -0.06 -1.10 0.18 0.00 1.18 0.00 0.00 52.55 52.76 2hwp s ASP 502 Cb 0.17 -2.31 1.26 0.00 -0.34 0.00 0.00 42.92 41.70 2hwp s ASP 502 CO 0.69 -1.04 1.59 -0.65 0.68 0.00 0.00 175.17 176.45 2hwp h PRO 503 N 9.13 0.05 0.00 2.11 0.11 -1.94 0.60 132.00 142.06 2hwp h PRO 503 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2hwp h PRO 503 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2hwp h PRO 503 CO 1.04 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.80 2hwp h GLU 504 N 0.06 0.00 -0.00 1.05 3.07 -1.93 -2.60 114.58 114.23 2hwp h GLU 504 Ca 0.81 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.67 2hwp h GLU 504 Cb 2.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.98 2hwp h GLU 504 CO -0.75 0.00 -0.01 0.39 -1.40 0.00 0.00 179.01 177.23 2hwp n GLU 505 N -2.68 0.95 -2.97 2.33 -0.58 0.21 -4.86 120.64 113.04 2hwp n GLU 505 Ca 0.04 -0.13 -0.38 0.00 -0.42 0.00 0.00 57.16 56.27 2hwp n GLU 505 Cb 0.44 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 2hwp n GLU 505 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2hwp s ARG 506 N -2.14 4.51 0.98 3.49 0.52 -0.98 -4.95 118.95 120.37 2hwp s ARG 506 Ca 0.42 1.13 -0.12 0.00 -0.52 0.00 0.00 55.73 56.63 2hwp s ARG 506 Cb 0.21 -3.11 0.18 0.00 0.52 0.00 0.00 34.95 32.75 2hwp s ARG 506 CO 0.39 0.49 1.09 -1.25 0.02 0.00 0.00 175.30 176.04 2hwp s PRO 507 N -1.46 0.57 0.76 3.54 0.04 -1.26 -5.04 135.00 132.16 2hwp s PRO 507 Ca 0.40 0.61 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 2hwp s PRO 507 Cb -0.21 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.65 2hwp s PRO 507 CO 0.25 -2.65 1.11 0.95 0.04 0.00 0.00 177.00 176.70 2hwp s THR 508 N -2.94 2.18 0.08 1.26 -4.23 -1.26 -4.94 115.64 105.79 2hwp s THR 508 Ca 0.65 -0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.93 2hwp s THR 508 Cb -0.19 -3.02 -0.16 0.00 1.34 0.00 0.00 72.50 70.47 2hwp s THR 508 CO 0.58 -0.03 1.29 -0.26 -0.54 0.00 0.00 174.62 175.66 2hwp h PHE 509 N -0.86 0.95 -0.58 3.99 0.04 -1.90 -2.12 116.94 116.46 2hwp h PHE 509 Ca -0.45 -0.41 0.11 0.00 2.80 0.00 0.00 57.97 60.03 2hwp h PHE 509 Cb 1.32 -0.15 -0.11 0.00 2.20 0.00 0.00 35.95 39.21 2hwp h PHE 509 CO 0.33 1.22 -0.22 0.93 -0.60 0.00 0.00 178.31 179.96 2hwp h GLU 510 N 0.41 -0.08 -0.98 1.51 3.07 -1.90 0.40 114.58 117.01 2hwp h GLU 510 Ca -0.04 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 2hwp h GLU 510 Cb 1.28 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.14 2hwp h GLU 510 CO 0.13 -0.05 0.64 -0.92 -1.40 0.00 0.00 179.01 177.41 2hwp h TYR 511 N -0.08 1.19 -0.33 4.33 3.20 -1.92 -1.19 116.97 122.18 2hwp h TYR 511 Ca 0.27 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 2hwp h TYR 511 Cb 0.49 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2hwp h TYR 511 CO -0.54 0.65 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.29 2hwp h LEU 512 N 1.20 0.81 0.44 2.82 3.38 -0.28 -0.42 115.31 123.25 2hwp h LEU 512 Ca 0.41 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2hwp h LEU 512 Cb 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2hwp h LEU 512 CO -0.15 1.09 -0.42 -0.61 0.09 0.00 0.00 178.44 178.44 2hwp h GLN 513 N 0.54 -0.83 -0.67 1.13 4.15 0.03 -0.52 115.11 118.94 2hwp h GLN 513 Ca 0.06 0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.65 2hwp h GLN 513 Cb 0.84 0.19 -0.08 0.00 0.21 0.00 0.00 27.48 28.63 2hwp h GLN 513 CO 0.07 -0.55 0.25 0.00 -1.93 0.00 0.00 178.83 176.67 2hwp h ALA 514 N -1.07 0.89 -0.59 3.38 0.00 -1.21 0.15 119.26 120.82 2hwp h ALA 514 Ca -0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2hwp h ALA 514 Cb 0.74 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2hwp h ALA 514 CO -0.04 -0.20 0.26 0.35 0.00 0.00 0.00 179.25 179.62 2hwp h PHE 515 N 0.42 0.85 0.07 0.00 3.04 -0.83 -2.53 116.94 117.95 2hwp h PHE 515 Ca 0.35 -0.04 -0.23 0.00 3.98 0.00 0.00 57.97 62.04 2hwp h PHE 515 Cb 0.48 -0.26 0.02 0.00 2.56 0.00 0.00 35.95 38.75 2hwp h PHE 515 CO -0.17 0.64 -0.93 -0.07 -2.02 0.00 0.00 178.31 175.75 2hwp h LEU 516 N 0.84 0.70 -1.00 0.59 3.38 0.78 -1.86 115.31 118.76 2hwp h LEU 516 Ca 0.21 -0.81 0.07 0.00 0.09 0.00 0.00 57.88 57.43 2hwp h LEU 516 Cb 0.13 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 2hwp h LEU 516 CO -0.02 1.44 0.64 -0.33 0.09 0.00 0.00 178.44 180.26 2hwp h GLU 517 N 0.06 1.12 -0.01 1.13 5.08 -0.80 -2.22 114.58 118.93 2hwp h GLU 517 Ca -0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2hwp h GLU 517 Cb 1.64 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2hwp h GLU 517 CO 0.18 0.74 -0.24 -0.25 -1.00 0.00 0.00 179.01 178.44 2hwp n ASP 518 N -4.52 1.22 -0.36 1.42 8.00 -0.96 -4.63 116.55 116.72 2hwp n ASP 518 Ca 0.16 -1.05 -0.02 0.00 0.71 0.00 0.00 54.79 54.59 2hwp n ASP 518 Cb 0.20 0.15 0.04 0.00 -0.02 0.00 0.00 41.12 41.48 2hwp n ASP 518 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2hwp h TYR 519 N 1.53 -1.07 0.00 1.24 3.20 -0.68 -0.62 116.97 120.58 2hwp h TYR 519 Ca 0.00 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2hwp h TYR 519 Cb 0.54 0.60 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2hwp h TYR 519 CO 0.00 -0.40 0.00 1.19 -1.64 0.00 0.00 178.16 177.31 2hwp n PHE 520 N -5.47 0.00 -0.12 -3.82 3.72 -1.26 -1.38 117.46 109.13 2hwp n PHE 520 Ca 0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.26 2hwp n PHE 520 Cb 0.40 -0.39 -0.09 0.00 -0.94 0.00 0.00 39.48 38.46 2hwp n PHE 520 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2hwp n THR 521 N -1.39 1.52 0.02 4.37 -1.04 -0.29 -3.32 114.28 114.16 2hwp n THR 521 Ca 0.09 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 2hwp n THR 521 Cb 0.25 -2.02 -0.13 0.00 -1.82 0.00 0.00 70.33 66.60 2hwp n THR 521 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hwp h SER 522 N -1.00 0.02 0.00 8.00 0.02 -1.46 -3.37 113.55 115.76 2hwp h SER 522 Ca -0.46 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 2hwp h SER 522 Cb 1.37 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 2hwp h SER 522 CO -0.28 1.02 -1.31 0.41 -1.14 0.00 0.00 176.83 175.53 2hwp n THR 523 N -3.19 0.31 -3.28 -2.27 -1.04 -0.63 -4.86 114.28 99.32 2hwp n THR 523 Ca -0.10 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.05 61.57 2hwp n THR 523 Cb 1.00 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.97 2hwp n THR 523 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hwp n GLU 524 N -3.18 1.98 0.05 -2.82 -0.58 -0.48 -4.94 120.64 110.67 2hwp n GLU 524 Ca -0.11 -4.19 0.08 0.00 -0.42 0.00 0.00 57.16 52.53 2hwp n GLU 524 Cb 0.58 -1.91 0.35 0.00 -0.57 0.00 0.00 31.44 29.89 2hwp n GLU 524 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2hwp n PRO 525 N 0.84 0.07 -0.57 3.49 -0.04 -1.21 -2.02 135.00 135.56 2hwp n PRO 525 Ca 0.27 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 2hwp n PRO 525 Cb 0.46 -1.63 0.28 0.00 -0.04 0.00 0.00 33.50 32.57 2hwp n PRO 525 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hwp n GLN 526 N -1.76 3.16 -1.65 0.54 3.00 -1.26 -4.99 117.38 114.42 2hwp n GLN 526 Ca 0.03 -2.93 -0.47 0.00 -0.01 0.00 0.00 57.00 53.62 2hwp n GLN 526 Cb 0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 30.24 28.44 2hwp n GLN 526 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2hwp n TYR 527 N -0.39 2.10 -3.97 1.08 9.36 -0.85 -5.00 117.16 119.49 2hwp n TYR 527 Ca 0.24 0.36 -0.23 0.00 3.32 0.00 0.00 57.90 61.60 2hwp n TYR 527 Cb 0.98 -2.49 -0.17 0.00 -0.63 0.00 0.00 39.34 37.03 2hwp n TYR 527 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2hwp s GLN 528 N 0.66 1.00 0.55 2.98 2.00 -1.26 -5.13 119.66 120.46 2hwp s GLN 528 Ca 0.79 -0.08 -0.19 0.00 -2.00 0.00 0.00 55.36 53.88 2hwp s GLN 528 Cb -0.73 -1.14 -0.09 0.00 0.80 0.00 0.00 33.01 31.85 2hwp s GLN 528 CO 0.41 -0.21 0.56 -0.35 -0.50 0.00 0.00 175.29 175.20 2hwp n PRO 529 N 4.71 0.56 -0.24 1.67 -0.04 -1.26 -5.02 135.00 135.37 2hwp n PRO 529 Ca -0.14 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2hwp n PRO 529 Cb 0.50 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2hwp n PRO 529 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hwp n GLY 530 N 1.74 6.78 0.21 0.55 0.00 -0.08 -5.05 105.19 109.33 2hwp n GLY 530 Ca 0.12 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 2hwp n GLY 530 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hwp h GLU 531 N 0.00 -0.29 0.00 1.61 5.08 -2.00 -3.38 114.58 115.60 2hwp h GLU 531 Ca 0.00 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 2hwp h GLU 531 Cb 0.00 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2hwp h GLU 531 CO 0.00 -0.19 -1.64 0.09 -1.00 0.00 0.00 179.01 176.26 2hwp n ASN 532 N -5.29 2.71 0.00 1.42 3.02 -1.26 -5.13 115.26 110.74 2hwp n ASN 532 Ca -0.06 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2hwp n ASN 532 Cb 0.21 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.06 2hwp n ASN 532 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82