============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 80 rings ring int. center anis. iso. HIS 3 0.900 51.761 -44.421 23.104 -99.200 -91.000 HIS 10 0.900 41.521 -45.625 9.234 -99.200 -91.000 HIS 31 0.900 37.375 -45.753 10.341 -99.200 -91.000 PHE 42 1.000 37.652 -59.064 21.824 -99.200 -91.000 TYR 45 0.840 44.004 -58.841 23.605 -99.200 -91.000 PHE 55 1.000 33.221 -45.161 11.387 -99.200 -91.000 HIS 79 0.900 29.645 -47.117 8.646 -99.200 -91.000 PHE 90 1.000 24.442 -54.326 23.469 -99.200 -91.000 PHE 92 1.000 25.716 -63.200 30.413 -99.200 -91.000 HIS 100 0.900 29.577 -43.945 22.145 -99.200 -91.000 PHE 114 1.000 19.647 -50.790 24.438 -99.200 -91.000 HIS 127 0.900 23.307 -40.049 11.827 -99.200 -91.000 PHE 165 1.000 14.860 -43.864 28.929 -99.200 -91.000 PHE 183 1.000 6.694 -32.724 20.302 -99.200 -91.000 PHE 188 1.000 9.048 -33.905 25.697 -99.200 -91.000 HIS 189 0.900 5.044 -33.455 32.845 -99.200 -91.000 PHE 195 1.000 18.155 -32.206 35.301 -99.200 -91.000 PHE 198 1.000 20.554 -30.880 22.927 -99.200 -91.000 PHE 239 1.000 9.141 -20.283 22.024 -99.200 -91.000 TRP 244 1.040 2.729 -23.532 34.852 -99.200 -91.000 TRP6 244 1.020 1.419 -23.114 32.936 -99.200 -91.000 TYR 254 0.840 22.153 -21.904 11.172 -99.200 -91.000 PHE 265 1.000 11.344 -14.935 22.129 -99.200 -91.000 TRP 267 1.040 4.825 -16.701 27.414 -99.200 -91.000 TRP6 267 1.020 3.226 -15.368 28.539 -99.200 -91.000 TYR 273 0.840 23.891 -19.048 29.795 -99.200 -91.000 PHE 274 1.000 16.096 -15.933 22.685 -99.200 -91.000 PHE 275 1.000 23.473 -20.041 22.090 -99.200 -91.000 TYR 278 0.840 24.382 -17.995 10.614 -99.200 -91.000 HIS 283 0.900 9.101 -3.245 12.507 -99.200 -91.000 PHE 285 1.000 6.866 -6.593 15.193 -99.200 -91.000 HIS 287 0.900 6.311 -3.418 24.627 -99.200 -91.000 HIS 290 0.900 7.439 -6.756 28.581 -99.200 -91.000 PHE 293 1.000 12.524 -10.598 34.481 -99.200 -91.000 TYR 297 0.840 25.887 -15.776 23.849 -99.200 -91.000 PHE 304 1.000 17.880 -8.147 13.772 -99.200 -91.000 PHE 314 1.000 13.323 4.130 24.023 -99.200 -91.000 PHE 316 1.000 18.618 -5.179 21.016 -99.200 -91.000 TRP 318 1.040 11.107 -4.502 28.417 -99.200 -91.000 TRP6 318 1.020 10.300 -4.073 26.287 -99.200 -91.000 HIS 324 0.900 29.642 -12.139 24.304 -99.200 -91.000 PHE 340 1.000 23.264 -1.026 20.564 -99.200 -91.000 TYR 348 0.840 31.853 -9.316 22.755 -99.200 -91.000 PHE 355 1.000 25.324 -0.912 12.756 -99.200 -91.000 PHE 366 1.000 29.210 3.970 18.367 -99.200 -91.000 HIS 371 0.900 22.631 6.539 31.253 -99.200 -91.000 HIS 375 0.900 34.137 -3.666 31.297 -99.200 -91.000 PHE 392 1.000 34.590 5.717 19.087 -99.200 -91.000 TRP 394 1.040 27.689 9.324 23.498 -99.200 -91.000 TRP6 394 1.020 26.560 11.048 24.656 -99.200 -91.000 HIS 397 0.900 32.464 2.834 33.334 -99.200 -91.000 TRP 417 1.040 41.622 8.668 19.686 -99.200 -91.000 TRP6 417 1.020 40.504 7.011 18.423 -99.200 -91.000 PHE 424 1.000 44.772 -3.817 27.431 -99.200 -91.000 TYR 427 0.840 43.213 -4.563 14.745 -99.200 -91.000 TYR 430 0.840 44.750 -5.366 7.920 -99.200 -91.000 TYR 433 0.840 43.164 10.088 4.460 -99.200 -91.000 PHE 441 1.000 46.830 7.569 18.323 -99.200 -91.000 PHE 467 1.000 52.918 6.564 17.473 -99.200 -91.000 HIS 504 0.900 55.957 -6.322 4.043 -99.200 -91.000 TRP 511 1.040 68.295 2.170 11.571 -99.200 -91.000 TRP6 511 1.020 67.681 0.009 12.247 -99.200 -91.000 HIS 513 0.900 78.356 4.823 5.899 -99.200 -91.000 TYR 521 0.840 72.174 5.884 16.368 -99.200 -91.000 PHE 522 1.000 63.817 3.199 14.060 -99.200 -91.000 HIS 528 0.900 60.936 -3.232 31.186 -99.200 -91.000 HIS 530 0.900 59.648 -8.232 26.919 -99.200 -91.000 PHE 539 1.000 66.043 -1.275 8.275 -99.200 -91.000 PHE 547 1.000 69.276 -3.902 16.304 -99.200 -91.000 PHE 551 1.000 71.274 -3.224 28.178 -99.200 -91.000 PHE 571 1.000 72.550 -8.803 15.769 -99.200 -91.000 PHE 595 1.000 75.604 -12.947 12.319 -99.200 -91.000 PHE 599 1.000 74.613 -17.297 15.316 -99.200 -91.000 PHE 609 1.000 64.355 -19.815 1.802 -99.200 -91.000 PHE 612 1.000 73.934 -18.913 4.701 -99.200 -91.000 TRP 621 1.040 71.093 -23.001 19.710 -99.200 -91.000 TRP6 621 1.020 70.516 -21.686 17.857 -99.200 -91.000 PHE 622 1.000 63.442 -26.939 16.467 -99.200 -91.000 TRP 625 1.040 68.242 -22.491 8.435 -99.200 -91.000 TRP6 625 1.020 70.318 -21.570 7.796 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ziwA1 VAL 30 HA -0.00 0.01 0.31 -0.75 4.13 3.69 1ziwA1 VAL 30 HB -0.03 -0.04 0.05 -0.04 2.12 2.06 1ziwA1 VAL 30 HG13 -0.02 0.04 0.08 -0.04 0.97 1.04 1ziwA1 VAL 30 HG23 -0.00 0.01 0.09 -0.04 0.95 1.01 1ziwA1 SER 31 H -0.21 0.22 0.10 -0.55 8.46 8.02 1ziwA1 SER 31 HA -0.05 0.31 0.44 -0.75 4.49 4.44 1ziwA1 SER 31 HB2 -0.05 0.19 -0.03 -0.04 3.95 4.02 1ziwA1 SER 31 HB3 -0.07 -0.03 0.09 -0.04 3.93 3.88 1ziwA1 HIS 32 H 0.09 0.35 0.18 -0.55 8.41 8.48 1ziwA1 HIS 32 HA 0.00 0.22 0.66 -0.75 4.63 4.76 1ziwA1 HIS 32 HB2 0.00 -0.04 0.21 -0.04 3.26 3.39 1ziwA1 HIS 32 HB3 0.00 0.04 0.21 -0.04 3.20 3.41 1ziwA1 HIS 32 HD2 0.00 0.02 -0.03 -0.04 6.97 6.91 1ziwA1 HIS 32 HE1 0.00 0.01 -0.01 -0.04 7.75 7.71 1ziwA1 GLU 33 H 0.02 0.18 -0.17 -0.55 8.60 8.09 1ziwA1 GLU 33 HA 0.03 0.01 0.20 -0.75 4.29 3.77 1ziwA1 GLU 33 HB2 0.04 0.02 0.03 -0.04 2.09 2.13 1ziwA1 GLU 33 HB3 0.04 0.09 0.18 -0.04 1.99 2.26 1ziwA1 GLU 33 HG2 0.03 -0.10 0.01 -0.04 2.34 2.25 1ziwA1 GLU 33 HG3 0.03 -0.11 -0.19 -0.04 2.34 2.03 1ziwA1 VAL 34 H 0.09 0.03 -0.55 -0.55 8.24 7.27 1ziwA1 VAL 34 HA 0.03 0.10 0.82 -0.75 4.13 4.33 1ziwA1 VAL 34 HB 0.10 -0.06 0.05 -0.04 2.12 2.17 1ziwA1 VAL 34 HG13 0.04 -0.00 -0.24 -0.04 0.97 0.72 1ziwA1 VAL 34 HG23 0.03 0.03 -0.09 -0.04 0.95 0.88 1ziwA1 ALA 35 H -0.01 0.78 0.24 -0.55 8.40 8.87 1ziwA1 ALA 35 HA -0.01 0.33 0.95 -0.75 4.34 4.85 1ziwA1 ALA 35 HB3 -0.07 -0.00 0.14 -0.04 1.41 1.44 1ziwA1 ASP 36 H 0.01 0.32 0.04 -0.55 8.40 8.23 1ziwA1 ASP 36 HA 0.02 0.04 0.98 -0.75 4.63 4.92 1ziwA1 ASP 36 HB2 0.05 -0.03 0.03 -0.04 2.71 2.72 1ziwA1 ASP 36 HB3 0.03 0.09 0.18 -0.04 2.70 2.97 1ziwA1 CYS 37 H 0.01 0.58 0.28 -0.55 8.50 8.82 1ziwA1 CYS 37 HA 0.01 0.18 0.79 -0.75 4.58 4.81 1ziwA1 CYS 37 HB2 -0.00 0.05 0.12 -0.04 2.97 3.10 1ziwA1 CYS 37 HB3 0.00 -0.05 0.18 -0.04 2.97 3.06 1ziwA1 SER 38 H 0.03 -0.04 -0.07 -0.55 8.46 7.83 1ziwA1 SER 38 HA -0.01 0.34 0.43 -0.75 4.49 4.50 1ziwA1 SER 38 HB2 0.03 -0.13 0.03 -0.04 3.95 3.84 1ziwA1 SER 38 HB3 0.07 -0.02 0.01 -0.04 3.93 3.96 1ziwA1 HIS 39 H -0.13 0.55 0.30 -0.55 8.41 8.59 1ziwA1 HIS 39 HA 0.04 0.17 0.54 -0.75 4.63 4.63 1ziwA1 HIS 39 HB2 -0.01 0.10 -0.17 -0.04 3.26 3.13 1ziwA1 HIS 39 HB3 -0.03 -0.05 0.20 -0.04 3.20 3.28 1ziwA1 HIS 39 HD2 -0.09 0.01 0.07 -0.04 6.97 6.91 1ziwA1 HIS 39 HE1 -0.45 -0.04 -0.04 -0.04 7.75 7.17 1ziwA1 LEU 40 H 0.06 0.13 0.11 -0.55 8.37 8.12 1ziwA1 LEU 40 HA 0.05 0.23 0.86 -0.75 4.35 4.73 1ziwA1 LEU 40 HB2 0.03 -0.00 -0.01 -0.04 1.64 1.62 1ziwA1 LEU 40 HB3 0.03 -0.07 0.15 -0.04 1.64 1.71 1ziwA1 LEU 40 HG 0.04 0.19 -0.64 -0.04 1.64 1.19 1ziwA1 LEU 40 HD13 0.02 -0.01 0.01 -0.04 0.93 0.90 1ziwA1 LEU 40 HD23 0.03 0.05 -0.01 -0.04 0.89 0.93 1ziwA1 LYS 41 H 0.06 0.16 0.09 -0.55 8.42 8.17 1ziwA1 LYS 41 HA 0.05 0.00 0.28 -0.75 4.32 3.89 1ziwA1 LYS 41 HB2 0.03 0.13 -0.11 -0.04 1.87 1.88 1ziwA1 LYS 41 HB3 0.03 -0.02 0.17 -0.04 1.79 1.92 1ziwA1 LYS 41 HG2 0.05 0.01 -0.01 -0.04 1.46 1.47 1ziwA1 LYS 41 HG3 0.04 0.02 -0.14 -0.04 1.46 1.34 1ziwA1 LYS 41 HD2 0.02 0.01 -0.04 -0.04 1.69 1.64 1ziwA1 LYS 41 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 1ziwA1 LYS 41 HE2 0.03 0.01 -0.04 -0.04 2.99 2.95 1ziwA1 LYS 41 HE3 0.02 0.02 -0.05 -0.04 2.99 2.94 1ziwA1 LEU 42 H 0.03 0.04 -0.12 -0.55 8.37 7.78 1ziwA1 LEU 42 HA 0.02 0.13 0.53 -0.75 4.35 4.27 1ziwA1 LEU 42 HB2 0.03 -0.06 0.09 -0.04 1.64 1.66 1ziwA1 LEU 42 HB3 0.02 0.13 0.09 -0.04 1.64 1.84 1ziwA1 LEU 42 HG 0.02 -0.07 -0.10 -0.04 1.64 1.45 1ziwA1 LEU 42 HD13 0.01 0.03 0.07 -0.04 0.93 1.00 1ziwA1 LEU 42 HD23 0.01 0.02 0.00 -0.04 0.89 0.88 1ziwA1 THR 43 H 0.02 0.20 0.19 -0.55 8.28 8.14 1ziwA1 THR 43 HA 0.03 0.21 0.69 -0.75 4.39 4.56 1ziwA1 THR 43 HB 0.02 -0.02 0.17 -0.04 4.32 4.45 1ziwA1 THR 43 HG23 0.02 0.05 -0.04 -0.04 1.22 1.21 1ziwA1 GLN 44 H 0.02 0.18 -0.00 -0.55 8.47 8.12 1ziwA1 GLN 44 HA 0.02 0.09 0.59 -0.75 4.36 4.31 1ziwA1 GLN 44 HB2 0.00 0.02 0.09 -0.04 2.15 2.22 1ziwA1 GLN 44 HB3 0.01 0.06 -0.17 -0.04 2.02 1.88 1ziwA1 GLN 44 HG2 0.01 -0.12 -0.04 -0.04 2.40 2.21 1ziwA1 GLN 44 HG3 -0.00 0.12 -0.25 -0.04 2.39 2.21 1ziwA1 GLN 44 HE21 0.00 0.01 -0.03 -0.04 6.97 6.92 1ziwA1 GLN 44 HE22 0.01 -0.02 -0.03 -0.04 7.69 7.60 1ziwA1 VAL 45 H -0.01 0.10 0.09 -0.55 8.24 7.87 1ziwA1 VAL 45 HA -0.02 0.12 0.54 -0.75 4.13 4.02 1ziwA1 VAL 45 HB -0.19 -0.04 0.07 -0.04 2.12 1.92 1ziwA1 VAL 45 HG13 -0.31 0.07 -0.09 -0.04 0.97 0.59 1ziwA1 VAL 45 HG23 -0.04 -0.01 -0.00 -0.04 0.95 0.85 1ziwA1 PRO 46 HA 0.01 0.00 0.48 -0.51 4.44 4.42 1ziwA1 PRO 46 HB2 -0.01 -0.01 0.07 -0.04 2.28 2.29 1ziwA1 PRO 46 HB3 0.00 0.03 0.07 -0.04 2.02 2.08 1ziwA1 PRO 46 HG2 -0.04 0.05 0.08 -0.04 2.03 2.08 1ziwA1 PRO 46 HG3 -0.01 0.08 0.11 -0.04 2.03 2.17 1ziwA1 PRO 46 HD2 -0.04 0.06 0.21 -0.04 3.68 3.87 1ziwA1 PRO 46 HD3 -0.01 0.25 0.27 -0.04 3.65 4.12 1ziwA1 ASP 47 H 0.02 0.12 0.18 -0.55 8.40 8.17 1ziwA1 ASP 47 HA 0.02 0.25 0.72 -0.75 4.63 4.87 1ziwA1 ASP 47 HB2 -0.04 -0.00 0.17 -0.04 2.71 2.80 1ziwA1 ASP 47 HB3 -0.02 0.05 0.07 -0.04 2.70 2.76 1ziwA1 ASP 48 H 0.07 0.00 -0.32 -0.55 8.40 7.61 1ziwA1 ASP 48 HA 0.03 0.26 0.80 -0.75 4.63 4.96 1ziwA1 ASP 48 HB2 0.02 0.03 0.12 -0.04 2.71 2.83 1ziwA1 ASP 48 HB3 0.01 -0.01 -0.13 -0.04 2.70 2.52 1ziwA1 LEU 49 H 0.23 0.10 -0.18 -0.55 8.37 7.98 1ziwA1 LEU 49 HA 0.05 0.13 0.69 -0.75 4.35 4.47 1ziwA1 LEU 49 HB2 -0.01 0.04 -0.03 -0.04 1.64 1.59 1ziwA1 LEU 49 HB3 -0.03 0.04 0.08 -0.04 1.64 1.69 1ziwA1 LEU 49 HG 0.00 -0.16 -0.06 -0.04 1.64 1.37 1ziwA1 LEU 49 HD13 -0.25 0.02 -0.01 -0.04 0.93 0.65 1ziwA1 LEU 49 HD23 -0.03 0.02 0.01 -0.04 0.89 0.84 1ziwA1 PRO 50 HA 0.07 0.11 0.50 -0.51 4.44 4.60 1ziwA1 PRO 50 HB2 0.05 -0.12 0.04 -0.04 2.28 2.20 1ziwA1 PRO 50 HB3 0.04 0.07 0.12 -0.04 2.02 2.21 1ziwA1 PRO 50 HG2 0.02 -0.00 0.06 -0.04 2.03 2.06 1ziwA1 PRO 50 HG3 0.02 0.10 0.08 -0.04 2.03 2.19 1ziwA1 PRO 50 HD2 0.02 0.07 0.17 -0.04 3.68 3.90 1ziwA1 PRO 50 HD3 0.02 0.18 0.21 -0.04 3.65 4.02 1ziwA1 THR 51 H 0.06 0.15 0.16 -0.55 8.28 8.11 1ziwA1 THR 51 HA 0.14 0.25 0.56 -0.75 4.39 4.58 1ziwA1 THR 51 HB 0.03 0.08 0.19 -0.04 4.32 4.58 1ziwA1 THR 51 HG23 -0.02 0.02 0.10 -0.04 1.22 1.28 1ziwA1 ASN 52 H 0.07 -0.10 -0.47 -0.55 8.53 7.49 1ziwA1 ASN 52 HA 0.05 0.10 0.42 -0.75 4.76 4.57 1ziwA1 ASN 52 HB2 0.04 -0.09 0.02 -0.04 2.88 2.81 1ziwA1 ASN 52 HB3 0.04 -0.01 -0.12 -0.04 2.79 2.66 1ziwA1 ASN 52 HD21 0.02 0.02 -0.00 -0.04 7.03 7.02 1ziwA1 ASN 52 HD22 0.02 -0.02 0.01 -0.04 7.74 7.70 1ziwA1 ILE 53 H 0.09 0.27 -0.39 -0.55 8.25 7.67 1ziwA1 ILE 53 HA 0.03 0.08 0.05 -0.75 4.18 3.58 1ziwA1 ILE 53 HB -0.02 -0.02 -0.01 -0.04 1.89 1.80 1ziwA1 ILE 53 HG12 0.06 0.30 -0.02 -0.04 1.49 1.79 1ziwA1 ILE 53 HG13 0.02 -0.02 -0.17 -0.04 1.21 1.00 1ziwA1 ILE 53 HG23 -0.00 -0.03 -0.05 -0.04 0.93 0.81 1ziwA1 ILE 53 HD13 -0.46 -0.02 -0.09 -0.04 0.88 0.26 1ziwA1 THR 54 H 0.03 0.38 0.32 -0.55 8.28 8.45 1ziwA1 THR 54 HA 0.05 0.29 0.65 -0.75 4.39 4.62 1ziwA1 THR 54 HB 0.03 -0.05 0.16 -0.04 4.32 4.42 1ziwA1 THR 54 HG23 0.03 0.07 -0.04 -0.04 1.22 1.24 1ziwA1 VAL 55 H 0.01 0.19 0.29 -0.55 8.24 8.18 1ziwA1 VAL 55 HA 0.02 0.27 1.04 -0.75 4.13 4.71 1ziwA1 VAL 55 HB 0.02 -0.13 0.19 -0.04 2.12 2.15 1ziwA1 VAL 55 HG13 0.01 -0.00 -0.19 -0.04 0.97 0.75 1ziwA1 VAL 55 HG23 0.02 0.01 -0.11 -0.04 0.95 0.83 1ziwA1 LEU 56 H 0.02 0.68 0.30 -0.55 8.37 8.82 1ziwA1 LEU 56 HA -0.04 0.18 1.01 -0.75 4.35 4.75 1ziwA1 LEU 56 HB2 -0.08 0.04 -0.06 -0.04 1.64 1.51 1ziwA1 LEU 56 HB3 0.05 -0.01 0.18 -0.04 1.64 1.82 1ziwA1 LEU 56 HG 0.04 -0.07 -0.21 -0.04 1.64 1.36 1ziwA1 LEU 56 HD13 -0.12 0.00 -0.01 -0.04 0.93 0.75 1ziwA1 LEU 56 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.79 1ziwA1 ASN 57 H -0.01 0.64 0.24 -0.55 8.53 8.86 1ziwA1 ASN 57 HA 0.01 0.09 1.08 -0.75 4.76 5.20 1ziwA1 ASN 57 HB2 0.01 -0.01 -0.05 -0.04 2.88 2.79 1ziwA1 ASN 57 HB3 0.01 0.10 0.29 -0.04 2.79 3.16 1ziwA1 ASN 57 HD21 0.03 0.02 -0.02 -0.04 7.03 7.02 1ziwA1 ASN 57 HD22 0.02 0.03 -0.02 -0.04 7.74 7.74 1ziwA1 LEU 58 H 0.02 0.90 0.28 -0.55 8.37 9.03 1ziwA1 LEU 58 HA 0.01 0.24 0.74 -0.75 4.35 4.59 1ziwA1 LEU 58 HB2 0.05 0.03 0.03 -0.04 1.64 1.71 1ziwA1 LEU 58 HB3 0.04 -0.04 0.12 -0.04 1.64 1.72 1ziwA1 LEU 58 HG 0.02 -0.07 -0.37 -0.04 1.64 1.18 1ziwA1 LEU 58 HD13 0.11 -0.01 -0.10 -0.04 0.93 0.89 1ziwA1 LEU 58 HD23 0.01 0.02 0.00 -0.04 0.89 0.89 1ziwA1 THR 59 H 0.01 -0.06 -0.16 -0.55 8.28 7.51 1ziwA1 THR 59 HA -0.03 0.46 0.34 -0.75 4.39 4.42 1ziwA1 THR 59 HB -0.11 0.04 -0.06 -0.04 4.32 4.15 1ziwA1 THR 59 HG23 0.03 -0.03 -0.03 -0.04 1.22 1.15 1ziwA1 HIS 60 H -0.17 0.44 0.28 -0.55 8.41 8.42 1ziwA1 HIS 60 HA 0.00 0.35 0.60 -0.75 4.63 4.83 1ziwA1 HIS 60 HB2 -0.87 -0.07 -0.02 -0.04 3.26 2.27 1ziwA1 HIS 60 HB3 -0.37 -0.01 0.21 -0.04 3.20 2.98 1ziwA1 HIS 60 HD2 -0.20 0.06 0.08 -0.04 6.97 6.87 1ziwA1 HIS 60 HE1 -0.58 -0.03 -0.06 -0.04 7.75 7.03 1ziwA1 ASN 61 H 0.05 0.39 0.20 -0.55 8.53 8.62 1ziwA1 ASN 61 HA 0.05 -0.08 0.62 -0.75 4.76 4.59 1ziwA1 ASN 61 HB2 0.03 0.12 0.03 -0.04 2.88 3.03 1ziwA1 ASN 61 HB3 0.04 -0.01 0.29 -0.04 2.79 3.06 1ziwA1 ASN 61 HD21 0.01 0.49 -0.01 -0.04 7.03 7.48 1ziwA1 ASN 61 HD22 0.02 0.38 -0.26 -0.04 7.74 7.83 1ziwA1 GLN 62 H 0.04 0.62 0.15 -0.55 8.47 8.74 1ziwA1 GLN 62 HA 0.05 0.22 0.89 -0.75 4.36 4.76 1ziwA1 GLN 62 HB2 0.03 0.04 -0.13 -0.04 2.15 2.06 1ziwA1 GLN 62 HB3 0.04 -0.02 0.12 -0.04 2.02 2.11 1ziwA1 GLN 62 HG2 0.05 0.05 -0.11 -0.04 2.40 2.35 1ziwA1 GLN 62 HG3 0.05 -0.13 -0.38 -0.04 2.39 1.89 1ziwA1 GLN 62 HE21 0.03 0.03 -0.03 -0.04 6.97 6.96 1ziwA1 GLN 62 HE22 0.04 -0.08 -0.07 -0.04 7.69 7.55 1ziwA1 LEU 63 H 0.04 0.09 -0.08 -0.55 8.37 7.87 1ziwA1 LEU 63 HA 0.04 0.08 0.44 -0.75 4.35 4.15 1ziwA1 LEU 63 HB2 0.05 -0.04 0.02 -0.04 1.64 1.63 1ziwA1 LEU 63 HB3 0.06 0.08 -0.04 -0.04 1.64 1.70 1ziwA1 LEU 63 HG 0.04 -0.01 -0.03 -0.04 1.64 1.60 1ziwA1 LEU 63 HD13 0.07 0.02 -0.08 -0.04 0.93 0.91 1ziwA1 LEU 63 HD23 0.04 0.02 -0.42 -0.04 0.89 0.49 1ziwA1 ARG 64 H 0.03 0.15 0.25 -0.55 8.46 8.34 1ziwA1 ARG 64 HA 0.02 0.31 0.66 -0.75 4.34 4.57 1ziwA1 ARG 64 HB2 0.02 -0.03 0.13 -0.04 1.90 1.98 1ziwA1 ARG 64 HB3 0.02 -0.04 0.10 -0.04 1.80 1.83 1ziwA1 ARG 64 HG2 0.02 0.08 -0.01 -0.04 1.67 1.72 1ziwA1 ARG 64 HG3 0.02 0.11 0.03 -0.04 1.67 1.79 1ziwA1 ARG 64 HD2 0.01 -0.05 0.04 -0.04 3.22 3.18 1ziwA1 ARG 64 HD3 0.01 -0.00 0.04 -0.04 3.22 3.23 1ziwA1 ARG 65 H 0.04 0.19 0.18 -0.55 8.46 8.32 1ziwA1 ARG 65 HA 0.03 0.14 0.80 -0.75 4.34 4.55 1ziwA1 ARG 65 HB2 0.04 0.01 0.02 -0.04 1.90 1.93 1ziwA1 ARG 65 HB3 0.04 -0.05 0.04 -0.04 1.80 1.78 1ziwA1 ARG 65 HG2 0.01 0.03 0.03 -0.04 1.67 1.70 1ziwA1 ARG 65 HG3 0.02 0.00 -0.42 -0.04 1.67 1.23 1ziwA1 ARG 65 HD2 0.01 0.04 -0.04 -0.04 3.22 3.19 1ziwA1 ARG 65 HD3 0.02 -0.01 -0.03 -0.04 3.22 3.16 1ziwA1 LEU 66 H 0.05 0.19 0.07 -0.55 8.37 8.14 1ziwA1 LEU 66 HA 0.21 0.23 0.72 -0.75 4.35 4.76 1ziwA1 LEU 66 HB2 0.03 -0.05 0.17 -0.04 1.64 1.75 1ziwA1 LEU 66 HB3 0.08 0.05 0.06 -0.04 1.64 1.79 1ziwA1 LEU 66 HG 0.07 -0.05 -0.30 -0.04 1.64 1.32 1ziwA1 LEU 66 HD13 -0.03 0.01 -0.10 -0.04 0.93 0.77 1ziwA1 LEU 66 HD23 0.24 0.05 -0.04 -0.04 0.89 1.09 1ziwA1 PRO 67 HA 0.08 -0.01 0.41 -0.51 4.44 4.41 1ziwA1 PRO 67 HB2 0.07 -0.04 0.03 -0.04 2.28 2.30 1ziwA1 PRO 67 HB3 0.05 0.05 0.09 -0.04 2.02 2.17 1ziwA1 PRO 67 HG2 0.05 0.10 0.04 -0.04 2.03 2.17 1ziwA1 PRO 67 HG3 0.05 0.04 0.01 -0.04 2.03 2.09 1ziwA1 PRO 67 HD2 0.12 0.12 0.07 -0.04 3.68 3.95 1ziwA1 PRO 67 HD3 0.09 0.15 -0.33 -0.04 3.65 3.52 1ziwA1 ALA 68 H 0.08 0.09 0.19 -0.55 8.40 8.21 1ziwA1 ALA 68 HA 0.17 0.16 0.36 -0.75 4.34 4.28 1ziwA1 ALA 68 HB3 0.07 0.01 -0.08 -0.04 1.41 1.36 1ziwA1 ALA 69 H 0.07 0.05 -0.18 -0.55 8.40 7.79 1ziwA1 ALA 69 HA 0.04 0.11 0.41 -0.75 4.34 4.14 1ziwA1 ALA 69 HB3 0.02 0.02 0.04 -0.04 1.41 1.44 1ziwA1 ASN 70 H 0.10 0.40 -0.46 -0.55 8.53 8.02 1ziwA1 ASN 70 HA -0.10 0.10 0.36 -0.75 4.76 4.37 1ziwA1 ASN 70 HB2 -0.10 0.14 0.02 -0.04 2.88 2.91 1ziwA1 ASN 70 HB3 -0.25 0.03 0.08 -0.04 2.79 2.60 1ziwA1 ASN 70 HD21 -0.02 -0.02 0.01 -0.04 7.03 6.96 1ziwA1 ASN 70 HD22 -0.06 0.09 0.03 -0.04 7.74 7.77 1ziwA1 PHE 71 H 0.18 0.34 -0.40 -0.55 8.34 7.91 1ziwA1 PHE 71 HA 0.14 0.16 0.76 -0.75 4.62 4.93 1ziwA1 PHE 71 HB2 0.06 0.07 -0.01 -0.04 3.15 3.23 1ziwA1 PHE 71 HB3 0.11 0.08 -0.02 -0.04 3.06 3.19 1ziwA1 PHE 71 HD2 0.13 0.09 -0.13 -0.04 7.28 7.32 1ziwA1 PHE 71 HE2 0.05 -0.06 -0.13 -0.04 7.38 7.20 1ziwA1 PHE 71 HZ 0.05 -0.03 -0.10 -0.04 7.32 7.19 1ziwA1 THR 72 H 0.02 0.21 -0.18 -0.55 8.28 7.78 1ziwA1 THR 72 HA 0.03 0.12 0.41 -0.75 4.39 4.19 1ziwA1 THR 72 HB -0.06 -0.00 0.09 -0.04 4.32 4.30 1ziwA1 THR 72 HG23 -0.02 -0.00 -0.04 -0.04 1.22 1.12 1ziwA1 ARG 73 H -0.23 0.11 -0.23 -0.55 8.46 7.56 1ziwA1 ARG 73 HA -0.19 0.03 0.43 -0.75 4.34 3.85 1ziwA1 ARG 73 HB2 -0.39 -0.02 0.05 -0.04 1.90 1.50 1ziwA1 ARG 73 HB3 -1.24 0.06 -0.07 -0.04 1.80 0.51 1ziwA1 ARG 73 HG2 -0.47 0.01 -0.20 -0.04 1.67 0.97 1ziwA1 ARG 73 HG3 -0.22 -0.07 0.04 -0.04 1.67 1.38 1ziwA1 ARG 73 HD2 -0.20 -0.03 0.03 -0.04 3.22 2.98 1ziwA1 ARG 73 HD3 -0.42 -0.02 -0.13 -0.04 3.22 2.61 1ziwA1 TYR 74 H -0.12 0.25 -0.59 -0.55 8.29 7.28 1ziwA1 TYR 74 HA 0.05 0.20 0.71 -0.75 4.56 4.76 1ziwA1 TYR 74 HB2 0.19 0.02 0.13 -0.04 3.06 3.35 1ziwA1 TYR 74 HB3 0.10 -0.03 0.07 -0.04 2.98 3.07 1ziwA1 TYR 74 HD2 -0.05 0.06 -0.10 -0.04 7.15 7.02 1ziwA1 TYR 74 HE2 -0.12 0.13 -0.19 -0.04 6.85 6.63 1ziwA1 SER 75 H 0.06 0.30 -0.25 -0.55 8.46 8.02 1ziwA1 SER 75 HA 0.09 0.27 0.43 -0.75 4.49 4.53 1ziwA1 SER 75 HB2 0.04 -0.04 0.19 -0.04 3.95 4.10 1ziwA1 SER 75 HB3 0.03 0.11 0.17 -0.04 3.93 4.21 1ziwA1 GLN 76 H 0.12 0.07 -0.67 -0.55 8.47 7.46 1ziwA1 GLN 76 HA 0.06 0.14 0.65 -0.75 4.36 4.45 1ziwA1 GLN 76 HB2 0.08 0.27 -0.12 -0.04 2.15 2.33 1ziwA1 GLN 76 HB3 0.05 -0.09 0.05 -0.04 2.02 1.99 1ziwA1 GLN 76 HG2 0.06 -0.04 -0.07 -0.04 2.40 2.30 1ziwA1 GLN 76 HG3 0.05 0.01 -0.01 -0.04 2.39 2.39 1ziwA1 GLN 76 HE21 0.03 -0.05 -0.02 -0.04 6.97 6.89 1ziwA1 GLN 76 HE22 0.03 0.00 0.01 -0.04 7.69 7.69 1ziwA1 LEU 77 H 0.12 0.34 -0.13 -0.55 8.37 8.15 1ziwA1 LEU 77 HA 0.06 -0.04 0.41 -0.75 4.35 4.02 1ziwA1 LEU 77 HB2 0.10 0.03 0.02 -0.04 1.64 1.75 1ziwA1 LEU 77 HB3 0.06 -0.10 -0.15 -0.04 1.64 1.42 1ziwA1 LEU 77 HG 0.20 0.22 0.03 -0.04 1.64 2.04 1ziwA1 LEU 77 HD13 0.22 -0.03 -0.06 -0.04 0.93 1.02 1ziwA1 LEU 77 HD23 0.02 -0.01 -0.43 -0.04 0.89 0.42 1ziwA1 THR 78 H 0.04 0.60 0.48 -0.55 8.28 8.85 1ziwA1 THR 78 HA 0.03 0.34 0.68 -0.75 4.39 4.68 1ziwA1 THR 78 HB 0.02 -0.05 0.20 -0.04 4.32 4.44 1ziwA1 THR 78 HG23 0.03 0.07 0.05 -0.04 1.22 1.32 1ziwA1 SER 79 H 0.03 0.43 0.34 -0.55 8.46 8.71 1ziwA1 SER 79 HA 0.02 0.19 0.96 -0.75 4.49 4.91 1ziwA1 SER 79 HB2 0.02 0.06 0.02 -0.04 3.95 4.00 1ziwA1 SER 79 HB3 0.02 -0.03 0.15 -0.04 3.93 4.02 1ziwA1 LEU 80 H 0.02 0.71 0.31 -0.55 8.37 8.86 1ziwA1 LEU 80 HA 0.03 0.23 1.01 -0.75 4.35 4.86 1ziwA1 LEU 80 HB2 -0.01 0.06 -0.10 -0.04 1.64 1.55 1ziwA1 LEU 80 HB3 -0.02 -0.02 0.14 -0.04 1.64 1.70 1ziwA1 LEU 80 HG 0.00 -0.07 -0.28 -0.04 1.64 1.25 1ziwA1 LEU 80 HD13 0.16 0.03 -0.04 -0.04 0.93 1.04 1ziwA1 LEU 80 HD23 -0.26 0.00 -0.11 -0.04 0.89 0.48 1ziwA1 ASP 81 H 0.02 0.77 0.32 -0.55 8.40 8.96 1ziwA1 ASP 81 HA 0.00 0.10 1.16 -0.75 4.63 5.14 1ziwA1 ASP 81 HB2 -0.00 0.03 -0.02 -0.04 2.71 2.68 1ziwA1 ASP 81 HB3 0.01 -0.06 0.29 -0.04 2.70 2.90 1ziwA1 VAL 82 H 0.01 0.73 0.20 -0.55 8.24 8.63 1ziwA1 VAL 82 HA 0.02 0.16 0.62 -0.75 4.13 4.19 1ziwA1 VAL 82 HB 0.04 -0.02 0.05 -0.04 2.12 2.14 1ziwA1 VAL 82 HG13 0.08 -0.01 -0.21 -0.04 0.97 0.79 1ziwA1 VAL 82 HG23 0.02 -0.01 -0.11 -0.04 0.95 0.81 1ziwA1 GLY 83 H -0.02 -0.08 -0.15 -0.55 8.43 7.64 1ziwA1 GLY 83 HA2 -0.15 0.31 0.31 -0.51 4.01 3.97 1ziwA1 GLY 83 HA3 -0.09 -0.09 0.21 -0.51 4.01 3.53 1ziwA1 PHE 84 H -0.33 0.69 0.28 -0.55 8.34 8.42 1ziwA1 PHE 84 HA 0.08 0.29 0.54 -0.75 4.62 4.79 1ziwA1 PHE 84 HB2 -0.82 -0.17 0.08 -0.04 3.15 2.20 1ziwA1 PHE 84 HB3 -0.31 0.02 0.27 -0.04 3.06 3.00 1ziwA1 PHE 84 HD2 -0.45 0.01 -0.14 -0.04 7.28 6.66 1ziwA1 PHE 84 HE2 -0.24 -0.02 -0.05 -0.04 7.38 7.03 1ziwA1 PHE 84 HZ -0.08 -0.02 -0.06 -0.04 7.32 7.12 1ziwA1 ASN 85 H 0.02 0.19 0.08 -0.55 8.53 8.27 1ziwA1 ASN 85 HA 0.07 0.31 0.75 -0.75 4.76 5.13 1ziwA1 ASN 85 HB2 0.02 0.06 0.04 -0.04 2.88 2.96 1ziwA1 ASN 85 HB3 0.04 -0.05 0.18 -0.04 2.79 2.91 1ziwA1 ASN 85 HD21 0.02 0.36 -0.23 -0.04 7.03 7.14 1ziwA1 ASN 85 HD22 0.01 0.57 -0.42 -0.04 7.74 7.86 1ziwA1 THR 86 H 0.03 0.62 0.12 -0.55 8.28 8.50 1ziwA1 THR 86 HA 0.00 0.19 0.86 -0.75 4.39 4.68 1ziwA1 THR 86 HB 0.01 -0.05 0.13 -0.04 4.32 4.38 1ziwA1 THR 86 HG23 0.04 0.00 -0.21 -0.04 1.22 1.02 1ziwA1 ILE 87 H 0.00 0.10 -0.09 -0.55 8.25 7.71 1ziwA1 ILE 87 HA 0.01 0.25 0.34 -0.75 4.18 4.03 1ziwA1 ILE 87 HB 0.01 -0.00 -0.02 -0.04 1.89 1.83 1ziwA1 ILE 87 HG12 0.04 -0.06 -0.51 -0.04 1.49 0.91 1ziwA1 ILE 87 HG13 0.03 0.05 -0.24 -0.04 1.21 1.00 1ziwA1 ILE 87 HG23 0.01 -0.02 -0.28 -0.04 0.93 0.60 1ziwA1 ILE 87 HD13 0.03 0.03 -0.14 -0.04 0.88 0.76 1ziwA1 SER 88 H -0.00 0.29 0.30 -0.55 8.46 8.50 1ziwA1 SER 88 HA -0.02 0.23 0.61 -0.75 4.49 4.56 1ziwA1 SER 88 HB2 -0.02 -0.04 0.12 -0.04 3.95 3.98 1ziwA1 SER 88 HB3 -0.01 0.07 0.06 -0.04 3.93 4.00 1ziwA1 LYS 89 H -0.01 0.13 0.18 -0.55 8.42 8.16 1ziwA1 LYS 89 HA -0.05 0.17 0.35 -0.75 4.32 4.04 1ziwA1 LYS 89 HB2 -0.03 -0.02 -0.14 -0.04 1.87 1.64 1ziwA1 LYS 89 HB3 -0.04 -0.05 -0.09 -0.04 1.79 1.57 1ziwA1 LYS 89 HG2 -0.07 -0.05 0.08 -0.04 1.46 1.37 1ziwA1 LYS 89 HG3 -0.07 0.14 0.29 -0.04 1.46 1.78 1ziwA1 LYS 89 HD2 -0.03 0.03 -0.04 -0.04 1.69 1.61 1ziwA1 LYS 89 HD3 -0.04 -0.07 -0.00 -0.04 1.68 1.53 1ziwA1 LYS 89 HE2 -0.06 -0.09 0.02 -0.04 2.99 2.81 1ziwA1 LYS 89 HE3 -0.05 0.16 0.12 -0.04 2.99 3.18 1ziwA1 LEU 90 H -0.11 0.23 0.10 -0.55 8.37 8.05 1ziwA1 LEU 90 HA -0.04 0.13 0.91 -0.75 4.35 4.59 1ziwA1 LEU 90 HB2 -0.24 -0.05 0.08 -0.04 1.64 1.39 1ziwA1 LEU 90 HB3 -0.12 0.13 -0.11 -0.04 1.64 1.50 1ziwA1 LEU 90 HG -0.08 -0.03 -0.21 -0.04 1.64 1.28 1ziwA1 LEU 90 HD13 -0.06 0.01 -0.12 -0.04 0.93 0.72 1ziwA1 LEU 90 HD23 -0.01 0.04 -0.10 -0.04 0.89 0.78 1ziwA1 GLU 91 H -0.01 0.18 0.06 -0.55 8.60 8.29 1ziwA1 GLU 91 HA -0.02 0.16 0.71 -0.75 4.29 4.38 1ziwA1 GLU 91 HB2 0.03 0.07 0.22 -0.04 2.09 2.37 1ziwA1 GLU 91 HB3 0.03 -0.07 0.10 -0.04 1.99 2.00 1ziwA1 GLU 91 HG2 0.01 0.09 0.04 -0.04 2.34 2.43 1ziwA1 GLU 91 HG3 0.02 0.02 -0.02 -0.04 2.34 2.32 1ziwA1 PRO 92 HA -0.05 0.27 0.46 -0.51 4.44 4.62 1ziwA1 PRO 92 HB2 0.06 -0.05 0.06 -0.04 2.28 2.31 1ziwA1 PRO 92 HB3 -0.23 0.21 0.12 -0.04 2.02 2.08 1ziwA1 PRO 92 HG2 -0.08 -0.04 0.03 -0.04 2.03 1.90 1ziwA1 PRO 92 HG3 -0.15 0.07 -0.20 -0.04 2.03 1.71 1ziwA1 PRO 92 HD2 -0.00 0.02 0.23 -0.04 3.68 3.88 1ziwA1 PRO 92 HD3 -0.06 0.32 0.38 -0.04 3.65 4.25 1ziwA1 GLU 93 H 0.10 0.08 -0.20 -0.55 8.60 8.03 1ziwA1 GLU 93 HA 0.17 0.10 0.38 -0.75 4.29 4.19 1ziwA1 GLU 93 HB2 0.06 -0.08 0.03 -0.04 2.09 2.06 1ziwA1 GLU 93 HB3 0.04 0.06 0.02 -0.04 1.99 2.08 1ziwA1 GLU 93 HG2 0.12 -0.05 0.02 -0.04 2.34 2.39 1ziwA1 GLU 93 HG3 0.05 0.03 0.01 -0.04 2.34 2.38 1ziwA1 LEU 94 H 0.05 0.36 -0.40 -0.55 8.37 7.83 1ziwA1 LEU 94 HA 0.03 0.00 0.42 -0.75 4.35 4.05 1ziwA1 LEU 94 HB2 -0.02 -0.02 0.13 -0.04 1.64 1.68 1ziwA1 LEU 94 HB3 -0.02 0.08 0.07 -0.04 1.64 1.73 1ziwA1 LEU 94 HG -0.19 0.04 -0.26 -0.04 1.64 1.19 1ziwA1 LEU 94 HD13 -0.51 0.02 -0.10 -0.04 0.93 0.29 1ziwA1 LEU 94 HD23 -0.17 -0.01 -0.07 -0.04 0.89 0.60 1ziwA1 CYS 95 H 0.09 0.35 -0.21 -0.55 8.50 8.17 1ziwA1 CYS 95 HA 0.04 0.13 0.36 -0.75 4.58 4.36 1ziwA1 CYS 95 HB2 0.16 0.02 -0.08 -0.04 2.97 3.03 1ziwA1 CYS 95 HB3 0.14 0.18 -0.54 -0.04 2.97 2.71 1ziwA1 GLN 96 H 0.09 0.15 -0.28 -0.55 8.47 7.87 1ziwA1 GLN 96 HA -0.00 0.19 0.72 -0.75 4.36 4.51 1ziwA1 GLN 96 HB2 -0.06 -0.01 0.09 -0.04 2.15 2.12 1ziwA1 GLN 96 HB3 -0.09 -0.00 0.00 -0.04 2.02 1.89 1ziwA1 GLN 96 HG2 -0.22 0.08 0.04 -0.04 2.40 2.26 1ziwA1 GLN 96 HG3 -0.37 -0.06 -0.03 -0.04 2.39 1.89 1ziwA1 GLN 96 HE21 -0.81 -0.03 -0.03 -0.04 6.97 6.06 1ziwA1 GLN 96 HE22 -2.59 -0.02 -0.05 -0.04 7.69 4.99 1ziwA1 LYS 97 H 0.04 0.36 -0.20 -0.55 8.42 8.06 1ziwA1 LYS 97 HA 0.03 0.02 0.55 -0.75 4.32 4.18 1ziwA1 LYS 97 HB2 0.08 0.19 0.08 -0.04 1.87 2.17 1ziwA1 LYS 97 HB3 0.11 0.01 -0.19 -0.04 1.79 1.68 1ziwA1 LYS 97 HG2 0.05 0.03 -0.06 -0.04 1.46 1.45 1ziwA1 LYS 97 HG3 0.10 0.10 -0.05 -0.04 1.46 1.58 1ziwA1 LYS 97 HD2 0.05 -0.03 -0.05 -0.04 1.69 1.62 1ziwA1 LYS 97 HD3 0.03 0.07 -0.03 -0.04 1.68 1.70 1ziwA1 LYS 97 HE2 0.02 -0.03 -0.11 -0.04 2.99 2.82 1ziwA1 LYS 97 HE3 0.04 -0.11 -0.24 -0.04 2.99 2.64 1ziwA1 LEU 98 H 0.04 0.13 -0.55 -0.55 8.37 7.44 1ziwA1 LEU 98 HA 0.06 0.26 0.81 -0.75 4.35 4.73 1ziwA1 LEU 98 HB2 0.01 -0.06 0.11 -0.04 1.64 1.66 1ziwA1 LEU 98 HB3 0.03 -0.01 0.05 -0.04 1.64 1.67 1ziwA1 LEU 98 HG -0.01 0.06 -0.19 -0.04 1.64 1.47 1ziwA1 LEU 98 HD13 -0.21 -0.05 -0.13 -0.04 0.93 0.50 1ziwA1 LEU 98 HD23 0.19 0.05 -0.18 -0.04 0.89 0.90 1ziwA1 PRO 99 HA 0.03 0.13 0.41 -0.51 4.44 4.50 1ziwA1 PRO 99 HB2 0.02 -0.03 0.06 -0.04 2.28 2.29 1ziwA1 PRO 99 HB3 0.01 0.00 0.13 -0.04 2.02 2.12 1ziwA1 PRO 99 HG2 0.03 0.05 0.05 -0.04 2.03 2.11 1ziwA1 PRO 99 HG3 0.02 -0.01 0.05 -0.04 2.03 2.05 1ziwA1 PRO 99 HD2 0.04 0.28 0.08 -0.04 3.68 4.03 1ziwA1 PRO 99 HD3 0.03 0.19 -0.46 -0.04 3.65 3.36 1ziwA1 MET 100 H 0.04 0.16 -0.48 -0.55 8.47 7.64 1ziwA1 MET 100 HA 0.03 0.14 0.71 -0.75 4.52 4.64 1ziwA1 MET 100 HB2 0.04 0.21 -0.15 -0.04 2.15 2.21 1ziwA1 MET 100 HB3 0.03 -0.09 0.06 -0.04 2.03 1.99 1ziwA1 MET 100 HG2 0.02 -0.04 -0.08 -0.04 2.63 2.49 1ziwA1 MET 100 HG3 0.03 -0.02 -0.09 -0.04 2.56 2.44 1ziwA1 MET 100 HE3 0.02 -0.01 0.00 -0.04 2.10 2.07 1ziwA1 LEU 101 H 0.03 0.38 -0.25 -0.55 8.37 7.99 1ziwA1 LEU 101 HA 0.03 -0.07 0.16 -0.75 4.35 3.71 1ziwA1 LEU 101 HB2 0.02 0.08 0.02 -0.04 1.64 1.71 1ziwA1 LEU 101 HB3 0.03 -0.02 0.01 -0.04 1.64 1.62 1ziwA1 LEU 101 HG 0.02 -0.05 -0.43 -0.04 1.64 1.13 1ziwA1 LEU 101 HD13 0.01 -0.02 -0.31 -0.04 0.93 0.57 1ziwA1 LEU 101 HD23 -0.00 -0.03 -0.14 -0.04 0.89 0.68 1ziwA1 LYS 102 H 0.02 0.53 0.35 -0.55 8.42 8.77 1ziwA1 LYS 102 HA 0.01 0.29 0.84 -0.75 4.32 4.70 1ziwA1 LYS 102 HB2 0.02 0.08 0.26 -0.04 1.87 2.18 1ziwA1 LYS 102 HB3 0.01 -0.15 0.11 -0.04 1.79 1.72 1ziwA1 LYS 102 HG2 0.02 0.16 -0.07 -0.04 1.46 1.52 1ziwA1 LYS 102 HG3 0.02 0.16 0.11 -0.04 1.46 1.72 1ziwA1 LYS 102 HD2 0.01 -0.11 0.06 -0.04 1.69 1.61 1ziwA1 LYS 102 HD3 0.01 0.02 0.05 -0.04 1.68 1.72 1ziwA1 LYS 102 HE2 0.02 0.11 0.05 -0.04 2.99 3.13 1ziwA1 LYS 102 HE3 0.01 -0.07 0.05 -0.04 2.99 2.94 1ziwA1 VAL 103 H 0.02 0.46 0.38 -0.55 8.24 8.55 1ziwA1 VAL 103 HA 0.03 0.19 1.08 -0.75 4.13 4.67 1ziwA1 VAL 103 HB 0.03 -0.05 0.29 -0.04 2.12 2.35 1ziwA1 VAL 103 HG13 0.08 -0.02 -0.12 -0.04 0.97 0.86 1ziwA1 VAL 103 HG23 0.03 0.02 -0.05 -0.04 0.95 0.90 1ziwA1 LEU 104 H 0.03 0.67 0.32 -0.55 8.37 8.85 1ziwA1 LEU 104 HA 0.03 0.26 1.14 -0.75 4.35 5.02 1ziwA1 LEU 104 HB2 0.02 0.05 -0.14 -0.04 1.64 1.53 1ziwA1 LEU 104 HB3 -0.01 0.01 0.17 -0.04 1.64 1.77 1ziwA1 LEU 104 HG 0.07 -0.08 -0.25 -0.04 1.64 1.33 1ziwA1 LEU 104 HD13 0.02 0.02 -0.07 -0.04 0.93 0.87 1ziwA1 LEU 104 HD23 0.16 0.00 -0.10 -0.04 0.89 0.91 1ziwA1 ASN 105 H 0.03 0.79 0.36 -0.55 8.53 9.16 1ziwA1 ASN 105 HA 0.10 0.14 1.27 -0.75 4.76 5.51 1ziwA1 ASN 105 HB2 -0.05 0.05 -0.02 -0.04 2.88 2.82 1ziwA1 ASN 105 HB3 -0.03 -0.13 0.26 -0.04 2.79 2.85 1ziwA1 ASN 105 HD21 -0.26 0.02 -0.02 -0.04 7.03 6.73 1ziwA1 ASN 105 HD22 -0.32 0.04 -0.02 -0.04 7.74 7.40 1ziwA1 LEU 106 H 0.05 0.68 0.27 -0.55 8.37 8.82 1ziwA1 LEU 106 HA 0.00 0.14 0.63 -0.75 4.35 4.37 1ziwA1 LEU 106 HB2 0.08 0.12 0.02 -0.04 1.64 1.82 1ziwA1 LEU 106 HB3 0.05 -0.02 0.07 -0.04 1.64 1.70 1ziwA1 LEU 106 HG 0.07 -0.06 -0.41 -0.04 1.64 1.20 1ziwA1 LEU 106 HD13 0.22 0.00 -0.15 -0.04 0.93 0.96 1ziwA1 LEU 106 HD23 0.04 0.01 -0.14 -0.04 0.89 0.76 1ziwA1 GLN 107 H -0.06 -0.08 -0.14 -0.55 8.47 7.65 1ziwA1 GLN 107 HA -0.07 0.30 0.25 -0.75 4.36 4.08 1ziwA1 GLN 107 HB2 -0.16 0.06 -0.03 -0.04 2.15 1.98 1ziwA1 GLN 107 HB3 -0.07 -0.13 -0.00 -0.04 2.02 1.78 1ziwA1 GLN 107 HG2 -0.20 -0.12 -0.01 -0.04 2.40 2.02 1ziwA1 GLN 107 HG3 -0.68 0.04 -0.26 -0.04 2.39 1.45 1ziwA1 GLN 107 HE21 0.03 0.04 -0.05 -0.04 6.97 6.94 1ziwA1 GLN 107 HE22 -0.05 -0.07 -0.04 -0.04 7.69 7.49 1ziwA1 HIS 108 H -0.12 0.65 0.22 -0.55 8.41 8.61 1ziwA1 HIS 108 HA -0.17 0.37 0.58 -0.75 4.63 4.65 1ziwA1 HIS 108 HB2 -0.79 -0.11 -0.09 -0.04 3.26 2.23 1ziwA1 HIS 108 HB3 -0.91 -0.12 0.27 -0.04 3.20 2.39 1ziwA1 HIS 108 HD2 -0.06 -0.05 0.07 -0.04 6.97 6.89 1ziwA1 HIS 108 HE1 0.11 -0.01 0.01 -0.04 7.75 7.81 1ziwA1 ASN 109 H -0.13 0.18 0.03 -0.55 8.53 8.06 1ziwA1 ASN 109 HA -0.07 0.31 0.62 -0.75 4.76 4.86 1ziwA1 ASN 109 HB2 -0.04 0.16 -0.03 -0.04 2.88 2.93 1ziwA1 ASN 109 HB3 -0.03 -0.04 0.18 -0.04 2.79 2.87 1ziwA1 ASN 109 HD21 -0.04 0.30 -0.21 -0.04 7.03 7.04 1ziwA1 ASN 109 HD22 -0.06 0.30 -0.65 -0.04 7.74 7.29 1ziwA1 GLU 110 H -0.03 0.60 0.07 -0.55 8.60 8.69 1ziwA1 GLU 110 HA -0.05 0.20 0.83 -0.75 4.29 4.51 1ziwA1 GLU 110 HB2 -0.02 0.04 -0.28 -0.04 2.09 1.79 1ziwA1 GLU 110 HB3 -0.02 -0.07 0.13 -0.04 1.99 1.99 1ziwA1 GLU 110 HG2 -0.04 -0.02 -0.05 -0.04 2.34 2.18 1ziwA1 GLU 110 HG3 -0.07 0.11 -0.54 -0.04 2.34 1.80 1ziwA1 LEU 111 H -0.02 0.11 -0.19 -0.55 8.37 7.72 1ziwA1 LEU 111 HA -0.02 0.17 0.43 -0.75 4.35 4.18 1ziwA1 LEU 111 HB2 0.01 0.02 -0.00 -0.04 1.64 1.62 1ziwA1 LEU 111 HB3 0.03 0.01 0.12 -0.04 1.64 1.77 1ziwA1 LEU 111 HG -0.01 0.03 -0.10 -0.04 1.64 1.52 1ziwA1 LEU 111 HD13 -0.03 0.00 -0.46 -0.04 0.93 0.40 1ziwA1 LEU 111 HD23 0.10 -0.01 -0.10 -0.04 0.89 0.84 1ziwA1 SER 112 H -0.01 0.44 0.05 -0.55 8.46 8.39 1ziwA1 SER 112 HA 0.00 0.08 0.30 -0.75 4.49 4.12 1ziwA1 SER 112 HB2 -0.01 0.03 0.14 -0.04 3.95 4.07 1ziwA1 SER 112 HB3 -0.01 0.10 -0.00 -0.04 3.93 3.97 1ziwA1 GLN 113 H -0.02 0.20 -0.13 -0.55 8.47 7.97 1ziwA1 GLN 113 HA -0.02 0.17 0.99 -0.75 4.36 4.74 1ziwA1 GLN 113 HB2 -0.04 0.00 0.15 -0.04 2.15 2.22 1ziwA1 GLN 113 HB3 -0.04 -0.02 0.02 -0.04 2.02 1.94 1ziwA1 GLN 113 HG2 -0.02 -0.06 -0.17 -0.04 2.40 2.11 1ziwA1 GLN 113 HG3 -0.02 0.00 0.01 -0.04 2.39 2.34 1ziwA1 GLN 113 HE21 -0.01 -0.04 0.02 -0.04 6.97 6.90 1ziwA1 GLN 113 HE22 -0.01 0.09 -0.23 -0.04 7.69 7.50 1ziwA1 LEU 114 H -0.04 0.24 0.18 -0.55 8.37 8.20 1ziwA1 LEU 114 HA -0.13 0.13 0.92 -0.75 4.35 4.52 1ziwA1 LEU 114 HB2 -0.10 -0.07 0.08 -0.04 1.64 1.51 1ziwA1 LEU 114 HB3 -0.11 0.01 0.08 -0.04 1.64 1.59 1ziwA1 LEU 114 HG 0.03 0.04 -0.12 -0.04 1.64 1.55 1ziwA1 LEU 114 HD13 0.19 0.00 -0.06 -0.04 0.93 1.02 1ziwA1 LEU 114 HD23 0.06 0.05 -0.22 -0.04 0.89 0.74 1ziwA1 SER 115 H -0.19 0.11 0.20 -0.55 8.46 8.03 1ziwA1 SER 115 HA -0.11 0.25 0.84 -0.75 4.49 4.71 1ziwA1 SER 115 HB2 -0.10 -0.00 0.20 -0.04 3.95 4.01 1ziwA1 SER 115 HB3 -0.10 0.15 -0.00 -0.04 3.93 3.93 1ziwA1 ASP 116 H -0.11 0.21 0.14 -0.55 8.40 8.09 1ziwA1 ASP 116 HA -0.13 0.15 0.47 -0.75 4.63 4.37 1ziwA1 ASP 116 HB2 -0.09 0.01 0.10 -0.04 2.71 2.69 1ziwA1 ASP 116 HB3 -0.09 0.11 0.06 -0.04 2.70 2.74 1ziwA1 LYS 117 H -0.14 0.00 -0.16 -0.55 8.42 7.57 1ziwA1 LYS 117 HA -0.25 0.17 0.60 -0.75 4.32 4.08 1ziwA1 LYS 117 HB2 -0.14 -0.02 0.05 -0.04 1.87 1.72 1ziwA1 LYS 117 HB3 -0.16 0.04 0.03 -0.04 1.79 1.66 1ziwA1 LYS 117 HG2 -0.12 0.07 0.00 -0.04 1.46 1.37 1ziwA1 LYS 117 HG3 -0.10 -0.10 0.02 -0.04 1.46 1.24 1ziwA1 LYS 117 HD2 -0.07 -0.01 0.02 -0.04 1.69 1.60 1ziwA1 LYS 117 HD3 -0.06 0.02 0.02 -0.04 1.68 1.61 1ziwA1 LYS 117 HE2 -0.03 0.03 0.01 -0.04 2.99 2.95 1ziwA1 LYS 117 HE3 -0.03 0.02 0.00 -0.04 2.99 2.94 1ziwA1 THR 118 H -0.25 0.06 -0.23 -0.55 8.28 7.31 1ziwA1 THR 118 HA -0.34 0.10 0.29 -0.75 4.39 3.69 1ziwA1 THR 118 HB -0.75 0.08 0.17 -0.04 4.32 3.78 1ziwA1 THR 118 HG23 -1.00 0.02 -0.02 -0.04 1.22 0.17 1ziwA1 PHE 119 H -0.18 0.20 -0.16 -0.55 8.34 7.64 1ziwA1 PHE 119 HA -0.04 0.22 0.86 -0.75 4.62 4.90 1ziwA1 PHE 119 HB2 0.01 0.18 0.06 -0.04 3.15 3.36 1ziwA1 PHE 119 HB3 0.03 0.03 0.11 -0.04 3.06 3.19 1ziwA1 PHE 119 HD2 -0.02 0.10 -0.07 -0.04 7.28 7.25 1ziwA1 PHE 119 HE2 0.06 -0.00 -0.10 -0.04 7.38 7.29 1ziwA1 PHE 119 HZ 0.06 0.03 -0.11 -0.04 7.32 7.26 1ziwA1 ALA 120 H -0.22 0.29 -0.32 -0.55 8.40 7.61 1ziwA1 ALA 120 HA -0.07 -0.00 0.21 -0.75 4.34 3.72 1ziwA1 ALA 120 HB3 -0.48 0.07 0.11 -0.04 1.41 1.08 1ziwA1 PHE 121 H -0.20 0.10 -0.31 -0.55 8.34 7.39 1ziwA1 PHE 121 HA 0.03 0.20 0.75 -0.75 4.62 4.84 1ziwA1 PHE 121 HB2 0.02 0.04 -0.05 -0.04 3.15 3.11 1ziwA1 PHE 121 HB3 0.02 0.05 -0.00 -0.04 3.06 3.08 1ziwA1 PHE 121 HD2 0.00 0.12 -0.23 -0.04 7.28 7.13 1ziwA1 PHE 121 HE2 -0.00 -0.03 -0.10 -0.04 7.38 7.21 1ziwA1 PHE 121 HZ -0.01 -0.02 -0.05 -0.04 7.32 7.21 1ziwA1 CYS 122 H 0.13 0.43 -0.41 -0.55 8.50 8.10 1ziwA1 CYS 122 HA 0.11 0.20 0.64 -0.75 4.58 4.78 1ziwA1 CYS 122 HB2 0.14 0.04 0.19 -0.04 2.97 3.29 1ziwA1 CYS 122 HB3 0.09 0.01 0.08 -0.04 2.97 3.11 1ziwA1 THR 123 H 0.10 0.44 -0.18 -0.55 8.28 8.09 1ziwA1 THR 123 HA 0.06 0.15 0.11 -0.75 4.39 3.95 1ziwA1 THR 123 HB 0.05 -0.03 0.13 -0.04 4.32 4.43 1ziwA1 THR 123 HG23 0.10 -0.01 0.01 -0.04 1.22 1.28 1ziwA1 ASN 124 H 0.05 0.10 -0.22 -0.55 8.53 7.91 1ziwA1 ASN 124 HA 0.02 0.10 0.62 -0.75 4.76 4.75 1ziwA1 ASN 124 HB2 0.03 0.07 0.01 -0.04 2.88 2.95 1ziwA1 ASN 124 HB3 0.02 0.06 -0.09 -0.04 2.79 2.75 1ziwA1 ASN 124 HD21 0.02 -0.12 0.03 -0.04 7.03 6.92 1ziwA1 ASN 124 HD22 0.02 0.13 0.11 -0.04 7.74 7.96 1ziwA1 LEU 125 H 0.02 0.16 -0.32 -0.55 8.37 7.68 1ziwA1 LEU 125 HA -0.00 0.06 0.48 -0.75 4.35 4.14 1ziwA1 LEU 125 HB2 -0.03 -0.01 -0.02 -0.04 1.64 1.54 1ziwA1 LEU 125 HB3 -0.06 -0.09 -0.13 -0.04 1.64 1.32 1ziwA1 LEU 125 HG 0.03 0.07 -0.03 -0.04 1.64 1.67 1ziwA1 LEU 125 HD13 -0.08 -0.03 -0.06 -0.04 0.93 0.72 1ziwA1 LEU 125 HD23 0.01 0.04 -0.40 -0.04 0.89 0.50 1ziwA1 THR 126 H -0.02 0.60 0.50 -0.55 8.28 8.82 1ziwA1 THR 126 HA -0.03 0.32 0.88 -0.75 4.39 4.81 1ziwA1 THR 126 HB -0.01 -0.09 0.17 -0.04 4.32 4.34 1ziwA1 THR 126 HG23 0.00 0.10 0.03 -0.04 1.22 1.31 1ziwA1 GLU 127 H -0.04 0.54 0.44 -0.55 8.60 8.99 1ziwA1 GLU 127 HA -0.16 0.19 1.04 -0.75 4.29 4.61 1ziwA1 GLU 127 HB2 0.04 -0.09 0.19 -0.04 2.09 2.20 1ziwA1 GLU 127 HB3 -0.09 -0.04 0.01 -0.04 1.99 1.84 1ziwA1 GLU 127 HG2 -0.03 0.05 -0.00 -0.04 2.34 2.31 1ziwA1 GLU 127 HG3 -0.01 -0.01 -0.32 -0.04 2.34 1.96 1ziwA1 LEU 128 H -0.33 0.64 0.29 -0.55 8.37 8.43 1ziwA1 LEU 128 HA -0.14 0.25 1.07 -0.75 4.35 4.77 1ziwA1 LEU 128 HB2 -0.26 0.05 -0.09 -0.04 1.64 1.29 1ziwA1 LEU 128 HB3 -0.32 -0.02 0.18 -0.04 1.64 1.44 1ziwA1 LEU 128 HG -0.31 -0.06 -0.23 -0.04 1.64 1.00 1ziwA1 LEU 128 HD13 -0.26 0.02 -0.01 -0.04 0.93 0.64 1ziwA1 LEU 128 HD23 -0.84 0.00 -0.08 -0.04 0.89 -0.07 1ziwA1 HIS 129 H 0.03 0.62 0.34 -0.55 8.41 8.85 1ziwA1 HIS 129 HA -0.07 0.09 0.97 -0.75 4.63 4.87 1ziwA1 HIS 129 HB2 -0.04 -0.11 0.31 -0.04 3.26 3.39 1ziwA1 HIS 129 HB3 -0.04 -0.03 0.06 -0.04 3.20 3.14 1ziwA1 HIS 129 HD2 -0.04 0.10 -0.23 -0.04 6.97 6.76 1ziwA1 HIS 129 HE1 -0.04 0.04 -0.08 -0.04 7.75 7.63 1ziwA1 LEU 130 H -0.01 0.77 0.35 -0.55 8.37 8.94 1ziwA1 LEU 130 HA 0.04 0.17 0.74 -0.75 4.35 4.55 1ziwA1 LEU 130 HB2 0.02 0.09 0.03 -0.04 1.64 1.74 1ziwA1 LEU 130 HB3 0.08 0.00 0.09 -0.04 1.64 1.78 1ziwA1 LEU 130 HG -0.02 -0.12 -0.55 -0.04 1.64 0.91 1ziwA1 LEU 130 HD13 0.12 0.00 -0.14 -0.04 0.93 0.87 1ziwA1 LEU 130 HD23 0.21 0.02 -0.11 -0.04 0.89 0.97 1ziwA1 MET 131 H 0.03 -0.07 -0.07 -0.55 8.47 7.82 1ziwA1 MET 131 HA 0.05 0.41 0.27 -0.75 4.52 4.49 1ziwA1 MET 131 HB2 -0.00 -0.09 -0.03 -0.04 2.15 1.98 1ziwA1 MET 131 HB3 0.08 0.09 -0.06 -0.04 2.03 2.09 1ziwA1 MET 131 HG2 0.09 0.01 -0.06 -0.04 2.63 2.63 1ziwA1 MET 131 HG3 0.06 -0.07 -0.10 -0.04 2.56 2.40 1ziwA1 MET 131 HE3 0.03 0.02 -0.04 -0.04 2.10 2.07 1ziwA1 SER 132 H 0.08 0.53 0.25 -0.55 8.46 8.78 1ziwA1 SER 132 HA 0.03 0.29 0.58 -0.75 4.49 4.63 1ziwA1 SER 132 HB2 -0.03 -0.11 0.14 -0.04 3.95 3.91 1ziwA1 SER 132 HB3 0.01 0.04 0.21 -0.04 3.93 4.16 1ziwA1 ASN 133 H 0.00 0.14 0.03 -0.55 8.53 8.16 1ziwA1 ASN 133 HA -0.07 0.37 0.75 -0.75 4.76 5.06 1ziwA1 ASN 133 HB2 0.02 0.16 -0.08 -0.04 2.88 2.93 1ziwA1 ASN 133 HB3 0.00 0.03 -0.19 -0.04 2.79 2.59 1ziwA1 ASN 133 HD21 -0.02 0.44 -0.16 -0.04 7.03 7.26 1ziwA1 ASN 133 HD22 0.01 0.26 -0.46 -0.04 7.74 7.51 1ziwA1 SER 134 H -0.01 0.16 0.01 -0.55 8.46 8.07 1ziwA1 SER 134 HA 0.01 0.01 0.25 -0.75 4.49 4.00 1ziwA1 SER 134 HB2 -0.01 -0.02 0.15 -0.04 3.95 4.03 1ziwA1 SER 134 HB3 -0.01 0.02 0.02 -0.04 3.93 3.91 1ziwA1 ILE 135 H 0.02 -0.01 -0.40 -0.55 8.25 7.32 1ziwA1 ILE 135 HA 0.02 0.24 0.76 -0.75 4.18 4.44 1ziwA1 ILE 135 HB 0.05 -0.07 0.06 -0.04 1.89 1.89 1ziwA1 ILE 135 HG12 0.05 0.04 -0.01 -0.04 1.49 1.53 1ziwA1 ILE 135 HG13 0.03 0.05 -0.15 -0.04 1.21 1.10 1ziwA1 ILE 135 HG23 0.06 0.01 -0.20 -0.04 0.93 0.75 1ziwA1 ILE 135 HD13 0.10 0.01 -0.03 -0.04 0.88 0.91 1ziwA1 GLN 136 H 0.01 0.23 0.28 -0.55 8.47 8.44 1ziwA1 GLN 136 HA 0.01 0.12 0.56 -0.75 4.36 4.30 1ziwA1 GLN 136 HB2 0.00 -0.01 0.11 -0.04 2.15 2.21 1ziwA1 GLN 136 HB3 0.00 0.02 0.07 -0.04 2.02 2.07 1ziwA1 GLN 136 HG2 0.00 0.16 -0.19 -0.04 2.40 2.34 1ziwA1 GLN 136 HG3 0.00 -0.00 0.05 -0.04 2.39 2.39 1ziwA1 GLN 136 HE21 0.01 -0.00 -0.05 -0.04 6.97 6.89 1ziwA1 GLN 136 HE22 0.01 -0.05 -0.20 -0.04 7.69 7.40 1ziwA1 LYS 137 H 0.01 0.22 0.19 -0.55 8.42 8.29 1ziwA1 LYS 137 HA 0.01 0.12 0.87 -0.75 4.32 4.57 1ziwA1 LYS 137 HB2 -0.00 -0.02 -0.24 -0.04 1.87 1.58 1ziwA1 LYS 137 HB3 -0.00 -0.03 -0.07 -0.04 1.79 1.64 1ziwA1 LYS 137 HG2 0.00 0.04 0.04 -0.04 1.46 1.50 1ziwA1 LYS 137 HG3 0.00 0.03 0.03 -0.04 1.46 1.48 1ziwA1 LYS 137 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.58 1ziwA1 LYS 137 HD3 -0.01 -0.04 -0.13 -0.04 1.68 1.46 1ziwA1 LYS 137 HE2 -0.01 0.07 -0.04 -0.04 2.99 2.97 1ziwA1 LYS 137 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.93 1ziwA1 ILE 138 H 0.02 0.26 0.14 -0.55 8.25 8.12 1ziwA1 ILE 138 HA -0.01 0.11 0.83 -0.75 4.18 4.35 1ziwA1 ILE 138 HB 0.06 0.18 0.10 -0.04 1.89 2.20 1ziwA1 ILE 138 HG12 0.04 -0.02 0.01 -0.04 1.49 1.48 1ziwA1 ILE 138 HG13 0.07 -0.07 -0.43 -0.04 1.21 0.74 1ziwA1 ILE 138 HG23 -0.01 -0.01 -0.21 -0.04 0.93 0.65 1ziwA1 ILE 138 HD13 0.25 0.02 -0.09 -0.04 0.88 1.02 1ziwA1 LYS 139 H -0.05 0.05 0.07 -0.55 8.42 7.94 1ziwA1 LYS 139 HA -0.02 0.25 0.41 -0.75 4.32 4.20 1ziwA1 LYS 139 HB2 -0.04 -0.03 0.04 -0.04 1.87 1.79 1ziwA1 LYS 139 HB3 -0.03 0.01 -0.03 -0.04 1.79 1.70 1ziwA1 LYS 139 HG2 -0.02 0.04 -0.13 -0.04 1.46 1.31 1ziwA1 LYS 139 HG3 -0.02 -0.04 -0.27 -0.04 1.46 1.08 1ziwA1 LYS 139 HD2 -0.03 -0.01 -0.03 -0.04 1.69 1.58 1ziwA1 LYS 139 HD3 -0.02 0.02 -0.04 -0.04 1.68 1.60 1ziwA1 LYS 139 HE2 -0.03 0.04 0.04 -0.04 2.99 2.99 1ziwA1 LYS 139 HE3 -0.04 -0.01 0.06 -0.04 2.99 2.95 1ziwA1 ASN 140 H -0.07 -0.03 -0.12 -0.55 8.53 7.76 1ziwA1 ASN 140 HA -0.04 0.33 0.94 -0.75 4.76 5.24 1ziwA1 ASN 140 HB2 -0.07 -0.11 0.06 -0.04 2.88 2.72 1ziwA1 ASN 140 HB3 -0.05 0.01 0.13 -0.04 2.79 2.83 1ziwA1 ASN 140 HD21 -0.03 0.01 -0.03 -0.04 7.03 6.94 1ziwA1 ASN 140 HD22 -0.03 0.01 0.04 -0.04 7.74 7.71 1ziwA1 ASN 141 H -0.08 0.11 -0.01 -0.55 8.53 8.01 1ziwA1 ASN 141 HA -0.07 0.34 0.89 -0.75 4.76 5.17 1ziwA1 ASN 141 HB2 -0.05 0.02 0.18 -0.04 2.88 2.99 1ziwA1 ASN 141 HB3 -0.04 -0.00 0.20 -0.04 2.79 2.91 1ziwA1 ASN 141 HD21 -0.03 0.07 -0.13 -0.04 7.03 6.89 1ziwA1 ASN 141 HD22 -0.04 -0.02 -0.12 -0.04 7.74 7.52 1ziwA1 PRO 142 HA -0.19 0.08 0.44 -0.51 4.44 4.26 1ziwA1 PRO 142 HB2 -0.68 0.06 -0.05 -0.04 2.28 1.57 1ziwA1 PRO 142 HB3 -0.29 0.03 -0.12 -0.04 2.02 1.60 1ziwA1 PRO 142 HG2 -1.13 0.15 -0.04 -0.04 2.03 0.96 1ziwA1 PRO 142 HG3 -0.35 -0.01 -0.07 -0.04 2.03 1.56 1ziwA1 PRO 142 HD2 -0.19 0.44 -0.14 -0.04 3.68 3.75 1ziwA1 PRO 142 HD3 -0.17 -0.18 -0.30 -0.04 3.65 2.95 1ziwA1 PHE 143 H -0.16 0.15 -0.39 -0.55 8.34 7.39 1ziwA1 PHE 143 HA 0.03 0.22 0.77 -0.75 4.62 4.89 1ziwA1 PHE 143 HB2 -0.01 0.07 -0.04 -0.04 3.15 3.13 1ziwA1 PHE 143 HB3 -0.02 0.04 0.08 -0.04 3.06 3.11 1ziwA1 PHE 143 HD2 -0.06 0.11 -0.09 -0.04 7.28 7.20 1ziwA1 PHE 143 HE2 -0.05 0.02 -0.10 -0.04 7.38 7.20 1ziwA1 PHE 143 HZ 0.05 0.01 -0.11 -0.04 7.32 7.24 1ziwA1 VAL 144 H 0.01 0.32 -0.22 -0.55 8.24 7.80 1ziwA1 VAL 144 HA 0.03 0.08 0.19 -0.75 4.13 3.68 1ziwA1 VAL 144 HB -0.01 -0.07 0.10 -0.04 2.12 2.10 1ziwA1 VAL 144 HG13 -0.01 0.03 -0.04 -0.04 0.97 0.90 1ziwA1 VAL 144 HG23 -0.01 0.02 0.01 -0.04 0.95 0.93 1ziwA1 LYS 145 H 0.04 0.09 -0.25 -0.55 8.42 7.75 1ziwA1 LYS 145 HA 0.03 0.15 0.70 -0.75 4.32 4.45 1ziwA1 LYS 145 HB2 0.05 0.05 -0.05 -0.04 1.87 1.88 1ziwA1 LYS 145 HB3 0.05 0.06 0.14 -0.04 1.79 2.00 1ziwA1 LYS 145 HG2 -0.01 -0.12 0.02 -0.04 1.46 1.31 1ziwA1 LYS 145 HG3 0.00 0.15 0.13 -0.04 1.46 1.71 1ziwA1 LYS 145 HD2 0.04 0.04 0.04 -0.04 1.69 1.77 1ziwA1 LYS 145 HD3 0.02 -0.02 -0.20 -0.04 1.68 1.44 1ziwA1 LYS 145 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 1ziwA1 LYS 145 HE3 0.02 0.02 0.00 -0.04 2.99 2.99 1ziwA1 GLN 146 H 0.08 0.31 -0.55 -0.55 8.47 7.75 1ziwA1 GLN 146 HA 0.04 0.24 0.42 -0.75 4.36 4.30 1ziwA1 GLN 146 HB2 0.08 0.16 0.15 -0.04 2.15 2.50 1ziwA1 GLN 146 HB3 -0.00 -0.07 0.17 -0.04 2.02 2.08 1ziwA1 GLN 146 HG2 -0.04 -0.08 -0.03 -0.04 2.40 2.21 1ziwA1 GLN 146 HG3 -0.01 0.13 -0.04 -0.04 2.39 2.44 1ziwA1 GLN 146 HE21 0.12 0.28 -0.19 -0.04 6.97 7.14 1ziwA1 GLN 146 HE22 0.07 0.49 -0.17 -0.04 7.69 8.03 1ziwA1 LYS 147 H 0.03 0.64 -0.08 -0.55 8.42 8.46 1ziwA1 LYS 147 HA 0.03 -0.11 0.28 -0.75 4.32 3.77 1ziwA1 LYS 147 HB2 0.03 0.10 0.10 -0.04 1.87 2.05 1ziwA1 LYS 147 HB3 0.02 -0.04 0.10 -0.04 1.79 1.84 1ziwA1 LYS 147 HG2 0.02 -0.05 0.03 -0.04 1.46 1.41 1ziwA1 LYS 147 HG3 0.03 0.10 0.01 -0.04 1.46 1.56 1ziwA1 LYS 147 HD2 0.02 0.02 0.05 -0.04 1.69 1.74 1ziwA1 LYS 147 HD3 0.02 -0.04 0.04 -0.04 1.68 1.66 1ziwA1 LYS 147 HE2 0.02 -0.01 0.05 -0.04 2.99 3.01 1ziwA1 LYS 147 HE3 0.03 0.03 0.08 -0.04 2.99 3.09 1ziwA1 ASN 148 H 0.02 0.22 -0.22 -0.55 8.53 8.00 1ziwA1 ASN 148 HA 0.01 0.11 0.80 -0.75 4.76 4.93 1ziwA1 ASN 148 HB2 0.01 0.21 -0.05 -0.04 2.88 3.01 1ziwA1 ASN 148 HB3 0.01 -0.05 0.09 -0.04 2.79 2.80 1ziwA1 ASN 148 HD21 0.02 -0.06 -0.06 -0.04 7.03 6.89 1ziwA1 ASN 148 HD22 0.02 0.05 -0.02 -0.04 7.74 7.74 1ziwA1 LEU 149 H 0.00 0.21 -0.32 -0.55 8.37 7.71 1ziwA1 LEU 149 HA -0.04 0.03 0.41 -0.75 4.35 3.99 1ziwA1 LEU 149 HB2 -0.04 -0.00 0.01 -0.04 1.64 1.57 1ziwA1 LEU 149 HB3 -0.04 -0.03 -0.04 -0.04 1.64 1.50 1ziwA1 LEU 149 HG -0.12 -0.04 -0.33 -0.04 1.64 1.11 1ziwA1 LEU 149 HD13 -0.12 -0.05 -0.46 -0.04 0.93 0.26 1ziwA1 LEU 149 HD23 -0.20 -0.03 -0.11 -0.04 0.89 0.52 1ziwA1 ILE 150 H -0.05 0.51 0.40 -0.55 8.25 8.55 1ziwA1 ILE 150 HA -0.02 0.30 0.80 -0.75 4.18 4.50 1ziwA1 ILE 150 HB -0.03 0.08 0.26 -0.04 1.89 2.15 1ziwA1 ILE 150 HG12 -0.01 0.14 0.18 -0.04 1.49 1.75 1ziwA1 ILE 150 HG13 -0.01 -0.10 0.09 -0.04 1.21 1.15 1ziwA1 ILE 150 HG23 -0.02 -0.03 0.03 -0.04 0.93 0.87 1ziwA1 ILE 150 HD13 0.00 0.03 -0.04 -0.04 0.88 0.83 1ziwA1 THR 151 H -0.10 0.48 0.41 -0.55 8.28 8.53 1ziwA1 THR 151 HA -0.11 0.26 1.19 -0.75 4.39 4.98 1ziwA1 THR 151 HB -0.17 -0.07 0.22 -0.04 4.32 4.26 1ziwA1 THR 151 HG23 -0.15 -0.02 -0.13 -0.04 1.22 0.88 1ziwA1 LEU 152 H -0.16 0.68 0.35 -0.55 8.37 8.70 1ziwA1 LEU 152 HA -0.29 0.24 1.02 -0.75 4.35 4.57 1ziwA1 LEU 152 HB2 -0.28 0.05 -0.08 -0.04 1.64 1.29 1ziwA1 LEU 152 HB3 -0.21 -0.00 0.17 -0.04 1.64 1.56 1ziwA1 LEU 152 HG -0.35 -0.07 -0.26 -0.04 1.64 0.93 1ziwA1 LEU 152 HD13 -0.67 0.02 -0.03 -0.04 0.93 0.21 1ziwA1 LEU 152 HD23 -0.64 0.00 -0.09 -0.04 0.89 0.13 1ziwA1 ASP 153 H -0.24 0.64 0.32 -0.55 8.40 8.57 1ziwA1 ASP 153 HA -0.10 0.16 1.19 -0.75 4.63 5.13 1ziwA1 ASP 153 HB2 -0.11 0.06 -0.04 -0.04 2.71 2.58 1ziwA1 ASP 153 HB3 -0.04 -0.15 0.29 -0.04 2.70 2.76 1ziwA1 LEU 154 H -0.06 0.79 0.28 -0.55 8.37 8.83 1ziwA1 LEU 154 HA 0.00 0.14 0.68 -0.75 4.35 4.43 1ziwA1 LEU 154 HB2 -0.02 0.09 0.03 -0.04 1.64 1.69 1ziwA1 LEU 154 HB3 0.03 -0.02 0.10 -0.04 1.64 1.71 1ziwA1 LEU 154 HG -0.10 -0.08 -0.40 -0.04 1.64 1.02 1ziwA1 LEU 154 HD13 -0.02 0.01 -0.13 -0.04 0.93 0.75 1ziwA1 LEU 154 HD23 0.13 0.01 -0.07 -0.04 0.89 0.92 1ziwA1 SER 155 H -0.00 -0.08 -0.16 -0.55 8.46 7.68 1ziwA1 SER 155 HA -0.05 0.27 0.26 -0.75 4.49 4.21 1ziwA1 SER 155 HB2 0.10 -0.09 -0.06 -0.04 3.95 3.86 1ziwA1 SER 155 HB3 -0.00 0.09 -0.07 -0.04 3.93 3.90 1ziwA1 HIS 156 H -0.21 0.64 0.21 -0.55 8.41 8.51 1ziwA1 HIS 156 HA 0.01 0.35 0.55 -0.75 4.63 4.79 1ziwA1 HIS 156 HB2 0.01 -0.09 -0.04 -0.04 3.26 3.11 1ziwA1 HIS 156 HB3 0.02 -0.00 0.26 -0.04 3.20 3.44 1ziwA1 HIS 156 HD2 0.00 -0.10 -0.20 -0.04 6.97 6.63 1ziwA1 HIS 156 HE1 0.01 0.01 -0.01 -0.04 7.75 7.71 1ziwA1 ASN 157 H 0.01 0.22 0.04 -0.55 8.53 8.26 1ziwA1 ASN 157 HA 0.03 -0.03 0.73 -0.75 4.76 4.74 1ziwA1 ASN 157 HB2 0.03 0.15 0.04 -0.04 2.88 3.06 1ziwA1 ASN 157 HB3 0.03 0.22 0.26 -0.04 2.79 3.26 1ziwA1 ASN 157 HD21 0.04 0.28 -0.14 -0.04 7.03 7.17 1ziwA1 ASN 157 HD22 0.04 0.46 -0.33 -0.04 7.74 7.87 1ziwA1 GLY 158 H 0.02 0.87 0.12 -0.55 8.43 8.89 1ziwA1 GLY 158 HA2 0.01 0.21 0.87 -0.51 4.01 4.59 1ziwA1 GLY 158 HA3 0.01 -0.02 0.30 -0.51 4.01 3.79 1ziwA1 LEU 159 H 0.01 0.07 -0.18 -0.55 8.37 7.72 1ziwA1 LEU 159 HA 0.02 0.26 0.40 -0.75 4.35 4.28 1ziwA1 LEU 159 HB2 0.02 -0.03 0.08 -0.04 1.64 1.67 1ziwA1 LEU 159 HB3 0.03 0.08 0.08 -0.04 1.64 1.78 1ziwA1 LEU 159 HG 0.04 0.02 -0.11 -0.04 1.64 1.54 1ziwA1 LEU 159 HD13 0.05 0.03 -0.06 -0.04 0.93 0.91 1ziwA1 LEU 159 HD23 0.05 0.02 -0.35 -0.04 0.89 0.57 1ziwA1 SER 160 H 0.01 0.24 0.27 -0.55 8.46 8.43 1ziwA1 SER 160 HA -0.00 0.28 0.50 -0.75 4.49 4.52 1ziwA1 SER 160 HB2 -0.01 -0.06 0.22 -0.04 3.95 4.06 1ziwA1 SER 160 HB3 -0.00 0.09 0.12 -0.04 3.93 4.10 1ziwA1 SER 161 H 0.01 0.21 -0.03 -0.55 8.46 8.11 1ziwA1 SER 161 HA -0.00 0.16 0.86 -0.75 4.49 4.75 1ziwA1 SER 161 HB2 0.00 0.10 -0.14 -0.04 3.95 3.86 1ziwA1 SER 161 HB3 0.02 0.06 0.04 -0.04 3.93 4.01 1ziwA1 THR 162 H 0.02 0.15 0.13 -0.55 8.28 8.03 1ziwA1 THR 162 HA 0.06 0.23 0.81 -0.75 4.39 4.73 1ziwA1 THR 162 HB 0.09 0.05 0.06 -0.04 4.32 4.48 1ziwA1 THR 162 HG23 0.03 0.01 -0.06 -0.04 1.22 1.16 1ziwA1 LYS 163 H 0.04 -0.04 -0.23 -0.55 8.42 7.64 1ziwA1 LYS 163 HA 0.05 0.22 0.55 -0.75 4.32 4.38 1ziwA1 LYS 163 HB2 0.02 -0.12 0.13 -0.04 1.87 1.86 1ziwA1 LYS 163 HB3 0.02 0.03 0.09 -0.04 1.79 1.89 1ziwA1 LYS 163 HG2 0.00 0.06 0.07 -0.04 1.46 1.55 1ziwA1 LYS 163 HG3 0.00 0.04 0.14 -0.04 1.46 1.60 1ziwA1 LYS 163 HD2 -0.00 -0.08 -0.01 -0.04 1.69 1.56 1ziwA1 LYS 163 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 1ziwA1 LYS 163 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 1ziwA1 LYS 163 HE3 -0.01 0.02 -0.09 -0.04 2.99 2.86 1ziwA1 LEU 164 H 0.04 0.17 0.24 -0.55 8.37 8.27 1ziwA1 LEU 164 HA 0.14 0.12 0.71 -0.75 4.35 4.57 1ziwA1 LEU 164 HB2 0.14 0.05 -0.05 -0.04 1.64 1.74 1ziwA1 LEU 164 HB3 0.35 -0.08 0.03 -0.04 1.64 1.90 1ziwA1 LEU 164 HG 0.17 0.26 -0.45 -0.04 1.64 1.58 1ziwA1 LEU 164 HD13 0.19 -0.02 -0.11 -0.04 0.93 0.95 1ziwA1 LEU 164 HD23 0.21 0.02 -0.17 -0.04 0.89 0.91 1ziwA1 GLY 165 H -0.00 0.19 0.16 -0.55 8.43 8.23 1ziwA1 GLY 165 HA2 -0.03 0.47 0.44 -0.51 4.01 4.38 1ziwA1 GLY 165 HA3 -0.03 0.00 0.47 -0.51 4.01 3.94 1ziwA1 THR 166 H -0.04 0.07 0.11 -0.55 8.28 7.87 1ziwA1 THR 166 HA -0.04 0.25 0.91 -0.75 4.39 4.76 1ziwA1 THR 166 HB -0.03 0.02 0.12 -0.04 4.32 4.40 1ziwA1 THR 166 HG23 -0.03 0.02 -0.19 -0.04 1.22 0.99 1ziwA1 GLN 167 H -0.06 0.14 0.06 -0.55 8.47 8.07 1ziwA1 GLN 167 HA -0.04 0.17 0.67 -0.75 4.36 4.41 1ziwA1 GLN 167 HB2 -0.03 0.06 0.09 -0.04 2.15 2.23 1ziwA1 GLN 167 HB3 -0.03 0.04 -0.13 -0.04 2.02 1.86 1ziwA1 GLN 167 HG2 -0.04 -0.23 -0.03 -0.04 2.40 2.06 1ziwA1 GLN 167 HG3 -0.03 0.20 -0.20 -0.04 2.39 2.31 1ziwA1 GLN 167 HE21 -0.02 0.01 -0.04 -0.04 6.97 6.88 1ziwA1 GLN 167 HE22 -0.03 -0.08 -0.09 -0.04 7.69 7.45 1ziwA1 VAL 168 H -0.04 0.11 0.12 -0.55 8.24 7.88 1ziwA1 VAL 168 HA -0.09 0.13 0.56 -0.75 4.13 3.97 1ziwA1 VAL 168 HB -0.02 -0.05 0.14 -0.04 2.12 2.15 1ziwA1 VAL 168 HG13 -0.01 0.01 -0.08 -0.04 0.97 0.84 1ziwA1 VAL 168 HG23 -0.02 0.03 0.08 -0.04 0.95 1.00 1ziwA1 GLN 169 H -0.11 0.79 0.38 -0.55 8.47 8.97 1ziwA1 GLN 169 HA -0.02 0.05 0.51 -0.75 4.36 4.15 1ziwA1 GLN 169 HB2 -0.01 -0.05 0.09 -0.04 2.15 2.14 1ziwA1 GLN 169 HB3 -0.04 0.11 -0.27 -0.04 2.02 1.78 1ziwA1 GLN 169 HG2 -0.16 0.10 -0.10 -0.04 2.40 2.20 1ziwA1 GLN 169 HG3 -0.10 0.02 -0.33 -0.04 2.39 1.94 1ziwA1 GLN 169 HE21 -0.04 -0.22 0.06 -0.04 6.97 6.73 1ziwA1 GLN 169 HE22 -0.08 0.52 0.04 -0.04 7.69 8.13 1ziwA1 LEU 170 H 0.02 0.19 0.05 -0.55 8.37 8.08 1ziwA1 LEU 170 HA 0.05 0.17 0.30 -0.75 4.35 4.11 1ziwA1 LEU 170 HB2 0.08 0.13 -0.25 -0.04 1.64 1.56 1ziwA1 LEU 170 HB3 0.17 -0.01 0.12 -0.04 1.64 1.88 1ziwA1 LEU 170 HG 0.05 -0.04 -0.16 -0.04 1.64 1.46 1ziwA1 LEU 170 HD13 0.10 -0.02 -0.15 -0.04 0.93 0.81 1ziwA1 LEU 170 HD23 0.02 0.04 -0.00 -0.04 0.89 0.91 1ziwA1 GLU 171 H 0.04 0.05 -0.19 -0.55 8.60 7.95 1ziwA1 GLU 171 HA 0.07 0.08 0.14 -0.75 4.29 3.83 1ziwA1 GLU 171 HB2 0.03 -0.01 0.05 -0.04 2.09 2.12 1ziwA1 GLU 171 HB3 0.04 0.11 0.02 -0.04 1.99 2.11 1ziwA1 GLU 171 HG2 0.02 0.02 -0.04 -0.04 2.34 2.30 1ziwA1 GLU 171 HG3 0.03 0.00 -0.17 -0.04 2.34 2.16 1ziwA1 ASN 172 H 0.04 0.06 -0.24 -0.55 8.53 7.85 1ziwA1 ASN 172 HA 0.04 0.13 0.70 -0.75 4.76 4.88 1ziwA1 ASN 172 HB2 0.02 0.11 -0.02 -0.04 2.88 2.95 1ziwA1 ASN 172 HB3 0.02 -0.03 0.03 -0.04 2.79 2.77 1ziwA1 ASN 172 HD21 0.02 -0.13 0.03 -0.04 7.03 6.91 1ziwA1 ASN 172 HD22 0.02 0.28 0.24 -0.04 7.74 8.24 1ziwA1 LEU 173 H 0.07 0.26 -0.49 -0.55 8.37 7.66 1ziwA1 LEU 173 HA 0.00 0.10 0.39 -0.75 4.35 4.08 1ziwA1 LEU 173 HB2 0.09 -0.03 0.03 -0.04 1.64 1.69 1ziwA1 LEU 173 HB3 0.08 -0.01 -0.03 -0.04 1.64 1.65 1ziwA1 LEU 173 HG -0.06 -0.06 -0.23 -0.04 1.64 1.25 1ziwA1 LEU 173 HD13 -0.07 -0.05 -0.50 -0.04 0.93 0.27 1ziwA1 LEU 173 HD23 -0.03 -0.03 -0.15 -0.04 0.89 0.64 1ziwA1 GLN 174 H -0.02 0.51 0.50 -0.55 8.47 8.92 1ziwA1 GLN 174 HA 0.03 0.37 1.12 -0.75 4.36 5.12 1ziwA1 GLN 174 HB2 -0.00 0.02 0.24 -0.04 2.15 2.36 1ziwA1 GLN 174 HB3 0.02 -0.18 0.16 -0.04 2.02 1.98 1ziwA1 GLN 174 HG2 0.05 0.07 0.11 -0.04 2.40 2.59 1ziwA1 GLN 174 HG3 0.02 0.28 -0.05 -0.04 2.39 2.61 1ziwA1 GLN 174 HE21 0.01 -0.07 0.04 -0.04 6.97 6.90 1ziwA1 GLN 174 HE22 0.02 0.11 0.05 -0.04 7.69 7.83 1ziwA1 GLU 175 H -0.05 0.60 0.45 -0.55 8.60 9.05 1ziwA1 GLU 175 HA -0.05 0.21 1.16 -0.75 4.29 4.86 1ziwA1 GLU 175 HB2 -0.07 -0.06 0.24 -0.04 2.09 2.16 1ziwA1 GLU 175 HB3 -0.08 -0.06 0.00 -0.04 1.99 1.82 1ziwA1 GLU 175 HG2 -0.02 0.05 -0.12 -0.04 2.34 2.22 1ziwA1 GLU 175 HG3 -0.03 0.04 -0.14 -0.04 2.34 2.17 1ziwA1 LEU 176 H -0.10 0.80 0.32 -0.55 8.37 8.84 1ziwA1 LEU 176 HA -0.14 0.20 1.05 -0.75 4.35 4.71 1ziwA1 LEU 176 HB2 -0.31 0.06 -0.06 -0.04 1.64 1.30 1ziwA1 LEU 176 HB3 -0.24 -0.00 0.19 -0.04 1.64 1.56 1ziwA1 LEU 176 HG -0.11 -0.08 -0.25 -0.04 1.64 1.15 1ziwA1 LEU 176 HD13 -0.08 0.02 -0.03 -0.04 0.93 0.80 1ziwA1 LEU 176 HD23 -0.40 0.01 -0.07 -0.04 0.89 0.40 1ziwA1 LEU 177 H -0.11 0.72 0.34 -0.55 8.37 8.77 1ziwA1 LEU 177 HA -0.08 0.08 1.04 -0.75 4.35 4.64 1ziwA1 LEU 177 HB2 -0.08 -0.05 0.27 -0.04 1.64 1.74 1ziwA1 LEU 177 HB3 -0.07 -0.05 0.09 -0.04 1.64 1.57 1ziwA1 LEU 177 HG -0.11 0.03 -0.32 -0.04 1.64 1.19 1ziwA1 LEU 177 HD13 -0.09 0.04 -0.15 -0.04 0.93 0.68 1ziwA1 LEU 177 HD23 -0.11 -0.00 -0.04 -0.04 0.89 0.69 1ziwA1 LEU 178 H -0.04 0.75 0.29 -0.55 8.37 8.82 1ziwA1 LEU 178 HA -0.03 0.12 0.62 -0.75 4.35 4.31 1ziwA1 LEU 178 HB2 -0.00 0.09 -0.04 -0.04 1.64 1.64 1ziwA1 LEU 178 HB3 0.00 -0.03 0.07 -0.04 1.64 1.65 1ziwA1 LEU 178 HG -0.03 -0.09 -0.53 -0.04 1.64 0.95 1ziwA1 LEU 178 HD13 0.02 0.01 -0.11 -0.04 0.93 0.81 1ziwA1 LEU 178 HD23 0.01 0.01 -0.09 -0.04 0.89 0.78 1ziwA1 SER 179 H -0.06 -0.07 -0.06 -0.55 8.46 7.72 1ziwA1 SER 179 HA -0.05 0.30 0.25 -0.75 4.49 4.24 1ziwA1 SER 179 HB2 -0.06 0.05 -0.04 -0.04 3.95 3.86 1ziwA1 SER 179 HB3 -0.07 -0.13 -0.01 -0.04 3.93 3.68 1ziwA1 ASN 180 H -0.10 0.62 0.19 -0.55 8.53 8.70 1ziwA1 ASN 180 HA -0.12 0.35 0.53 -0.75 4.76 4.77 1ziwA1 ASN 180 HB2 -0.81 -0.14 0.06 -0.04 2.88 1.94 1ziwA1 ASN 180 HB3 -0.36 0.04 0.27 -0.04 2.79 2.70 1ziwA1 ASN 180 HD21 -0.03 -0.04 -0.02 -0.04 7.03 6.90 1ziwA1 ASN 180 HD22 -0.07 0.08 0.07 -0.04 7.74 7.77 1ziwA1 ASN 181 H -0.05 0.10 -0.10 -0.55 8.53 7.94 1ziwA1 ASN 181 HA -0.02 0.34 0.82 -0.75 4.76 5.15 1ziwA1 ASN 181 HB2 -0.02 0.14 0.01 -0.04 2.88 2.97 1ziwA1 ASN 181 HB3 -0.00 0.04 0.18 -0.04 2.79 2.96 1ziwA1 ASN 181 HD21 -0.01 0.31 -0.17 -0.04 7.03 7.12 1ziwA1 ASN 181 HD22 -0.03 0.27 -0.49 -0.04 7.74 7.44 1ziwA1 LYS 182 H -0.00 0.70 0.09 -0.55 8.42 8.66 1ziwA1 LYS 182 HA -0.01 0.17 0.93 -0.75 4.32 4.66 1ziwA1 LYS 182 HB2 -0.00 0.07 -0.12 -0.04 1.87 1.77 1ziwA1 LYS 182 HB3 -0.00 -0.06 0.15 -0.04 1.79 1.84 1ziwA1 LYS 182 HG2 0.00 -0.01 -0.29 -0.04 1.46 1.12 1ziwA1 LYS 182 HG3 0.00 -0.01 -0.05 -0.04 1.46 1.36 1ziwA1 LYS 182 HD2 0.00 -0.05 -0.00 -0.04 1.69 1.60 1ziwA1 LYS 182 HD3 -0.00 0.04 0.03 -0.04 1.68 1.71 1ziwA1 LYS 182 HE2 0.01 0.07 -0.11 -0.04 2.99 2.91 1ziwA1 LYS 182 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.87 1ziwA1 ILE 183 H -0.01 0.07 -0.22 -0.55 8.25 7.54 1ziwA1 ILE 183 HA -0.01 0.10 0.27 -0.75 4.18 3.78 1ziwA1 ILE 183 HB -0.00 0.01 -0.06 -0.04 1.89 1.79 1ziwA1 ILE 183 HG12 0.00 -0.11 -0.54 -0.04 1.49 0.81 1ziwA1 ILE 183 HG13 -0.00 0.05 -0.22 -0.04 1.21 1.00 1ziwA1 ILE 183 HG23 -0.02 -0.02 -0.23 -0.04 0.93 0.62 1ziwA1 ILE 183 HD13 0.01 0.03 -0.15 -0.04 0.88 0.73 1ziwA1 GLN 184 H -0.04 0.19 0.24 -0.55 8.47 8.32 1ziwA1 GLN 184 HA -0.05 0.37 0.64 -0.75 4.36 4.56 1ziwA1 GLN 184 HB2 -0.03 0.02 0.16 -0.04 2.15 2.25 1ziwA1 GLN 184 HB3 -0.04 -0.05 0.13 -0.04 2.02 2.01 1ziwA1 GLN 184 HG2 -0.03 0.12 -0.06 -0.04 2.40 2.39 1ziwA1 GLN 184 HG3 -0.02 0.18 -0.10 -0.04 2.39 2.41 1ziwA1 GLN 184 HE21 -0.01 -0.04 0.04 -0.04 6.97 6.91 1ziwA1 GLN 184 HE22 -0.02 0.02 0.06 -0.04 7.69 7.72 1ziwA1 ALA 185 H -0.07 0.20 0.16 -0.55 8.40 8.14 1ziwA1 ALA 185 HA -0.21 0.12 0.72 -0.75 4.34 4.21 1ziwA1 ALA 185 HB3 -0.09 0.03 -0.04 -0.04 1.41 1.27 1ziwA1 LEU 186 H -0.21 0.69 0.38 -0.55 8.37 8.68 1ziwA1 LEU 186 HA -0.07 0.13 0.95 -0.75 4.35 4.60 1ziwA1 LEU 186 HB2 -0.12 -0.04 0.14 -0.04 1.64 1.58 1ziwA1 LEU 186 HB3 -0.16 0.02 -0.04 -0.04 1.64 1.42 1ziwA1 LEU 186 HG -0.11 -0.01 -0.18 -0.04 1.64 1.30 1ziwA1 LEU 186 HD13 0.25 0.01 -0.12 -0.04 0.93 1.03 1ziwA1 LEU 186 HD23 0.01 0.04 -0.16 -0.04 0.89 0.74 1ziwA1 LYS 187 H -0.05 0.24 0.16 -0.55 8.42 8.22 1ziwA1 LYS 187 HA -0.05 0.21 0.94 -0.75 4.32 4.66 1ziwA1 LYS 187 HB2 -0.02 -0.07 -0.01 -0.04 1.87 1.73 1ziwA1 LYS 187 HB3 -0.03 0.01 0.02 -0.04 1.79 1.76 1ziwA1 LYS 187 HG2 -0.04 0.09 -0.20 -0.04 1.46 1.27 1ziwA1 LYS 187 HG3 -0.05 -0.09 -0.63 -0.04 1.46 0.65 1ziwA1 LYS 187 HD2 -0.02 -0.03 -0.07 -0.04 1.69 1.52 1ziwA1 LYS 187 HD3 -0.02 0.03 -0.07 -0.04 1.68 1.58 1ziwA1 LYS 187 HE2 -0.04 0.02 -0.10 -0.04 2.99 2.84 1ziwA1 LYS 187 HE3 -0.04 0.01 -0.11 -0.04 2.99 2.81 1ziwA1 SER 188 H -0.03 0.28 0.04 -0.55 8.46 8.21 1ziwA1 SER 188 HA -0.01 0.21 0.35 -0.75 4.49 4.30 1ziwA1 SER 188 HB2 -0.00 0.07 -0.20 -0.04 3.95 3.77 1ziwA1 SER 188 HB3 -0.00 -0.04 0.00 -0.04 3.93 3.85 1ziwA1 GLU 189 H -0.01 0.06 -0.24 -0.55 8.60 7.86 1ziwA1 GLU 189 HA -0.00 0.17 0.32 -0.75 4.29 4.02 1ziwA1 GLU 189 HB2 -0.01 -0.05 0.01 -0.04 2.09 2.00 1ziwA1 GLU 189 HB3 -0.01 0.06 0.04 -0.04 1.99 2.03 1ziwA1 GLU 189 HG2 -0.01 0.07 -0.03 -0.04 2.34 2.33 1ziwA1 GLU 189 HG3 -0.01 -0.04 -0.02 -0.04 2.34 2.23 1ziwA1 GLU 190 H 0.00 0.24 -0.51 -0.55 8.60 7.78 1ziwA1 GLU 190 HA 0.01 0.18 0.72 -0.75 4.29 4.44 1ziwA1 GLU 190 HB2 0.01 0.02 0.12 -0.04 2.09 2.20 1ziwA1 GLU 190 HB3 0.03 -0.08 -0.08 -0.04 1.99 1.82 1ziwA1 GLU 190 HG2 0.00 0.06 -0.00 -0.04 2.34 2.36 1ziwA1 GLU 190 HG3 -0.00 -0.05 -0.14 -0.04 2.34 2.10 1ziwA1 LEU 191 H 0.04 0.33 -0.05 -0.55 8.37 8.14 1ziwA1 LEU 191 HA 0.26 0.15 0.47 -0.75 4.35 4.48 1ziwA1 LEU 191 HB2 0.06 0.14 0.02 -0.04 1.64 1.83 1ziwA1 LEU 191 HB3 0.18 0.02 0.01 -0.04 1.64 1.81 1ziwA1 LEU 191 HG 0.06 -0.15 -0.12 -0.04 1.64 1.39 1ziwA1 LEU 191 HD13 -0.03 -0.01 -0.16 -0.04 0.93 0.69 1ziwA1 LEU 191 HD23 0.14 0.02 -0.09 -0.04 0.89 0.91 1ziwA1 ASP 192 H 0.02 0.18 -0.49 -0.55 8.40 7.56 1ziwA1 ASP 192 HA 0.05 0.38 0.30 -0.75 4.63 4.62 1ziwA1 ASP 192 HB2 0.01 0.00 0.13 -0.04 2.71 2.81 1ziwA1 ASP 192 HB3 0.02 0.10 0.06 -0.04 2.70 2.84 1ziwA1 ILE 193 H -0.12 0.17 -0.46 -0.55 8.25 7.29 1ziwA1 ILE 193 HA -0.14 0.01 0.29 -0.75 4.18 3.59 1ziwA1 ILE 193 HB -0.30 0.10 -0.04 -0.04 1.89 1.60 1ziwA1 ILE 193 HG12 -0.49 0.07 -0.12 -0.04 1.49 0.90 1ziwA1 ILE 193 HG13 -1.60 0.11 -0.43 -0.04 1.21 -0.75 1ziwA1 ILE 193 HG23 -0.12 -0.06 -0.38 -0.04 0.93 0.32 1ziwA1 ILE 193 HD13 -0.36 -0.04 -0.23 -0.04 0.88 0.21 1ziwA1 PHE 194 H -0.05 0.42 -0.50 -0.55 8.34 7.66 1ziwA1 PHE 194 HA 0.01 0.23 0.74 -0.75 4.62 4.85 1ziwA1 PHE 194 HB2 0.01 0.21 0.07 -0.04 3.15 3.40 1ziwA1 PHE 194 HB3 0.01 -0.05 0.19 -0.04 3.06 3.16 1ziwA1 PHE 194 HD2 0.01 0.12 -0.01 -0.04 7.28 7.35 1ziwA1 PHE 194 HE2 -0.01 0.02 -0.08 -0.04 7.38 7.27 1ziwA1 PHE 194 HZ -0.02 -0.05 -0.11 -0.04 7.32 7.10 1ziwA1 ALA 195 H 0.02 0.33 -0.43 -0.55 8.40 7.77 1ziwA1 ALA 195 HA 0.06 0.25 0.34 -0.75 4.34 4.24 1ziwA1 ALA 195 HB3 0.02 -0.01 0.12 -0.04 1.41 1.49 1ziwA1 ASN 196 H 0.05 0.09 -0.38 -0.55 8.53 7.73 1ziwA1 ASN 196 HA 0.04 0.24 0.96 -0.75 4.76 5.25 1ziwA1 ASN 196 HB2 0.03 -0.02 -0.01 -0.04 2.88 2.84 1ziwA1 ASN 196 HB3 0.03 0.01 0.16 -0.04 2.79 2.95 1ziwA1 ASN 196 HD21 0.01 -0.03 -0.03 -0.04 7.03 6.94 1ziwA1 ASN 196 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 1ziwA1 SER 197 H 0.11 0.46 -0.10 -0.55 8.46 8.38 1ziwA1 SER 197 HA 0.08 0.38 0.85 -0.75 4.49 5.05 1ziwA1 SER 197 HB2 0.21 -0.07 0.16 -0.04 3.95 4.21 1ziwA1 SER 197 HB3 0.12 0.13 0.00 -0.04 3.93 4.14 1ziwA1 SER 198 H 0.07 0.34 0.17 -0.55 8.46 8.49 1ziwA1 SER 198 HA -0.04 0.15 0.96 -0.75 4.49 4.82 1ziwA1 SER 198 HB2 0.16 0.03 0.20 -0.04 3.95 4.29 1ziwA1 SER 198 HB3 0.39 -0.05 -0.01 -0.04 3.93 4.23 1ziwA1 LEU 199 H -0.07 0.63 0.17 -0.55 8.37 8.55 1ziwA1 LEU 199 HA 0.01 0.20 0.74 -0.75 4.35 4.55 1ziwA1 LEU 199 HB2 -0.08 -0.05 0.15 -0.04 1.64 1.61 1ziwA1 LEU 199 HB3 -0.07 -0.04 -0.16 -0.04 1.64 1.34 1ziwA1 LEU 199 HG -0.12 0.08 -0.10 -0.04 1.64 1.45 1ziwA1 LEU 199 HD13 -0.40 -0.03 -0.06 -0.04 0.93 0.41 1ziwA1 LEU 199 HD23 -0.18 0.05 -0.34 -0.04 0.89 0.38 1ziwA1 LYS 200 H 0.10 0.43 0.45 -0.55 8.42 8.86 1ziwA1 LYS 200 HA 0.30 0.00 0.64 -0.75 4.32 4.50 1ziwA1 LYS 200 HB2 0.06 0.06 0.14 -0.04 1.87 2.09 1ziwA1 LYS 200 HB3 0.06 -0.08 0.04 -0.04 1.79 1.77 1ziwA1 LYS 200 HG2 0.01 -0.03 0.05 -0.04 1.46 1.44 1ziwA1 LYS 200 HG3 0.12 0.15 0.12 -0.04 1.46 1.80 1ziwA1 LYS 200 HD2 0.01 -0.01 0.05 -0.04 1.69 1.70 1ziwA1 LYS 200 HD3 -0.01 -0.06 0.02 -0.04 1.68 1.58 1ziwA1 LYS 200 HE2 -0.07 -0.02 0.02 -0.04 2.99 2.87 1ziwA1 LYS 200 HE3 0.00 0.09 0.04 -0.04 2.99 3.08 1ziwA1 LYS 201 H 0.04 0.57 0.22 -0.55 8.42 8.70 1ziwA1 LYS 201 HA 0.21 0.18 0.74 -0.75 4.32 4.69 1ziwA1 LYS 201 HB2 0.09 0.07 -0.13 -0.04 1.87 1.86 1ziwA1 LYS 201 HB3 -0.01 -0.05 0.11 -0.04 1.79 1.80 1ziwA1 LYS 201 HG2 -0.09 -0.05 -0.36 -0.04 1.46 0.92 1ziwA1 LYS 201 HG3 -0.06 0.00 -0.14 -0.04 1.46 1.22 1ziwA1 LYS 201 HD2 -0.16 -0.02 -0.09 -0.04 1.69 1.37 1ziwA1 LYS 201 HD3 -0.45 -0.07 -0.10 -0.04 1.68 1.01 1ziwA1 LYS 201 HE2 -0.42 -0.00 -0.08 -0.04 2.99 2.45 1ziwA1 LYS 201 HE3 -0.07 0.06 -0.08 -0.04 2.99 2.85 1ziwA1 LEU 202 H 0.16 0.67 0.18 -0.55 8.37 8.83 1ziwA1 LEU 202 HA -0.03 0.23 0.88 -0.75 4.35 4.69 1ziwA1 LEU 202 HB2 -0.03 0.06 0.07 -0.04 1.64 1.70 1ziwA1 LEU 202 HB3 0.04 0.03 0.27 -0.04 1.64 1.95 1ziwA1 LEU 202 HG 0.10 -0.10 -0.18 -0.04 1.64 1.42 1ziwA1 LEU 202 HD13 -0.05 0.02 -0.05 -0.04 0.93 0.81 1ziwA1 LEU 202 HD23 0.14 0.00 -0.06 -0.04 0.89 0.93 1ziwA1 GLU 203 H -0.02 0.72 0.26 -0.55 8.60 9.01 1ziwA1 GLU 203 HA 0.12 0.08 0.89 -0.75 4.29 4.63 1ziwA1 GLU 203 HB2 -0.14 0.11 0.14 -0.04 2.09 2.16 1ziwA1 GLU 203 HB3 -0.09 -0.18 0.19 -0.04 1.99 1.88 1ziwA1 GLU 203 HG2 -0.73 0.05 -0.05 -0.04 2.34 1.57 1ziwA1 GLU 203 HG3 -0.36 0.03 -0.02 -0.04 2.34 1.95 1ziwA1 LEU 204 H 0.14 0.70 0.33 -0.55 8.37 8.99 1ziwA1 LEU 204 HA 0.03 0.18 0.68 -0.75 4.35 4.49 1ziwA1 LEU 204 HB2 0.15 0.08 0.03 -0.04 1.64 1.86 1ziwA1 LEU 204 HB3 0.10 -0.02 0.09 -0.04 1.64 1.76 1ziwA1 LEU 204 HG 0.08 -0.08 -0.50 -0.04 1.64 1.11 1ziwA1 LEU 204 HD13 0.19 0.00 -0.14 -0.04 0.93 0.95 1ziwA1 LEU 204 HD23 0.04 0.01 -0.12 -0.04 0.89 0.79 1ziwA1 SER 205 H 0.05 -0.06 -0.10 -0.55 8.46 7.81 1ziwA1 SER 205 HA 0.07 0.13 0.36 -0.75 4.49 4.30 1ziwA1 SER 205 HB2 -0.00 -0.07 -0.01 -0.04 3.95 3.83 1ziwA1 SER 205 HB3 0.03 0.18 0.03 -0.04 3.93 4.13 1ziwA1 SER 206 H 0.03 0.63 0.14 -0.55 8.46 8.71 1ziwA1 SER 206 HA 0.01 0.33 0.39 -0.75 4.49 4.46 1ziwA1 SER 206 HB2 -0.07 -0.14 0.10 -0.04 3.95 3.80 1ziwA1 SER 206 HB3 -0.03 0.05 0.24 -0.04 3.93 4.15 1ziwA1 ASN 207 H 0.02 0.22 -0.13 -0.55 8.53 8.09 1ziwA1 ASN 207 HA -0.01 0.22 0.63 -0.75 4.76 4.85 1ziwA1 ASN 207 HB2 0.02 0.11 0.04 -0.04 2.88 3.01 1ziwA1 ASN 207 HB3 -0.00 0.17 -0.03 -0.04 2.79 2.89 1ziwA1 ASN 207 HD21 -0.01 0.40 -0.02 -0.04 7.03 7.36 1ziwA1 ASN 207 HD22 0.02 0.36 -0.28 -0.04 7.74 7.79 1ziwA1 GLN 208 H -0.01 0.20 -0.02 -0.55 8.47 8.10 1ziwA1 GLN 208 HA 0.01 0.06 0.57 -0.75 4.36 4.25 1ziwA1 GLN 208 HB2 -0.00 -0.01 0.07 -0.04 2.15 2.17 1ziwA1 GLN 208 HB3 -0.01 0.01 0.16 -0.04 2.02 2.14 1ziwA1 GLN 208 HG2 -0.00 0.01 0.04 -0.04 2.40 2.41 1ziwA1 GLN 208 HG3 0.01 -0.02 0.03 -0.04 2.39 2.37 1ziwA1 GLN 208 HE21 -0.00 -0.02 0.02 -0.04 6.97 6.92 1ziwA1 GLN 208 HE22 -0.01 -0.00 0.03 -0.04 7.69 7.67 1ziwA1 ILE 209 H -0.01 0.31 -0.34 -0.55 8.25 7.66 1ziwA1 ILE 209 HA -0.12 -0.02 0.23 -0.75 4.18 3.52 1ziwA1 ILE 209 HB -0.04 0.03 -0.04 -0.04 1.89 1.80 1ziwA1 ILE 209 HG12 -0.08 -0.12 -0.45 -0.04 1.49 0.79 1ziwA1 ILE 209 HG13 -0.02 0.08 -0.32 -0.04 1.21 0.91 1ziwA1 ILE 209 HG23 -0.62 -0.04 -0.32 -0.04 0.93 -0.09 1ziwA1 ILE 209 HD13 0.07 -0.00 -0.14 -0.04 0.88 0.76 1ziwA1 LYS 210 H -0.15 0.61 0.31 -0.55 8.42 8.63 1ziwA1 LYS 210 HA -0.08 0.22 0.92 -0.75 4.32 4.63 1ziwA1 LYS 210 HB2 -0.06 0.06 0.16 -0.04 1.87 1.98 1ziwA1 LYS 210 HB3 -0.04 -0.08 0.19 -0.04 1.79 1.82 1ziwA1 LYS 210 HG2 -0.04 0.20 -0.22 -0.04 1.46 1.36 1ziwA1 LYS 210 HG3 -0.02 -0.07 0.02 -0.04 1.46 1.34 1ziwA1 LYS 210 HD2 -0.00 -0.10 0.07 -0.04 1.69 1.61 1ziwA1 LYS 210 HD3 -0.01 0.23 -0.02 -0.04 1.68 1.84 1ziwA1 LYS 210 HE2 0.00 -0.02 -0.08 -0.04 2.99 2.85 1ziwA1 LYS 210 HE3 0.00 -0.08 -0.01 -0.04 2.99 2.86 1ziwA1 GLU 211 H -0.36 0.15 0.10 -0.55 8.60 7.95 1ziwA1 GLU 211 HA -0.12 0.13 0.68 -0.75 4.29 4.22 1ziwA1 GLU 211 HB2 -0.09 0.11 -0.20 -0.04 2.09 1.88 1ziwA1 GLU 211 HB3 -0.12 -0.09 0.10 -0.04 1.99 1.83 1ziwA1 GLU 211 HG2 -0.04 -0.02 -0.18 -0.04 2.34 2.05 1ziwA1 GLU 211 HG3 -0.03 0.06 0.02 -0.04 2.34 2.35 1ziwA1 PHE 212 H 0.06 0.27 -0.01 -0.55 8.34 8.10 1ziwA1 PHE 212 HA -0.10 0.07 0.80 -0.75 4.62 4.63 1ziwA1 PHE 212 HB2 0.02 0.03 0.07 -0.04 3.15 3.22 1ziwA1 PHE 212 HB3 -0.05 0.02 0.01 -0.04 3.06 3.00 1ziwA1 PHE 212 HD2 -0.01 -0.00 -0.10 -0.04 7.28 7.12 1ziwA1 PHE 212 HE2 0.13 0.03 -0.18 -0.04 7.38 7.32 1ziwA1 PHE 212 HZ 0.10 0.05 -0.17 -0.04 7.32 7.26 1ziwA1 SER 213 H -0.05 0.56 0.14 -0.55 8.46 8.56 1ziwA1 SER 213 HA 0.00 0.09 0.38 -0.75 4.49 4.20 1ziwA1 SER 213 HB2 -0.04 0.00 0.12 -0.04 3.95 4.00 1ziwA1 SER 213 HB3 -0.04 -0.14 0.28 -0.04 3.93 3.99 1ziwA1 PRO 214 HA 0.03 0.02 0.47 -0.51 4.44 4.45 1ziwA1 PRO 214 HB2 -0.01 -0.01 0.13 -0.04 2.28 2.36 1ziwA1 PRO 214 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 1ziwA1 PRO 214 HG2 -0.00 0.03 0.11 -0.04 2.03 2.13 1ziwA1 PRO 214 HG3 0.01 0.08 0.14 -0.04 2.03 2.23 1ziwA1 PRO 214 HD2 -0.00 0.05 0.22 -0.04 3.68 3.92 1ziwA1 PRO 214 HD3 0.02 0.16 0.25 -0.04 3.65 4.03 1ziwA1 GLY 215 H 0.08 0.18 0.19 -0.55 8.43 8.34 1ziwA1 GLY 215 HA2 0.19 0.10 0.35 -0.51 4.01 4.14 1ziwA1 GLY 215 HA3 0.04 0.15 0.60 -0.51 4.01 4.29 1ziwA1 CYS 216 H -0.03 0.51 -0.12 -0.55 8.50 8.31 1ziwA1 CYS 216 HA -0.07 -0.10 0.01 -0.75 4.58 3.67 1ziwA1 CYS 216 HB2 -0.25 -0.10 -0.36 -0.04 2.97 2.21 1ziwA1 CYS 216 HB3 -0.12 0.08 -0.15 -0.04 2.97 2.74 1ziwA1 PHE 217 H -0.15 0.13 -0.19 -0.55 8.34 7.58 1ziwA1 PHE 217 HA -0.03 0.06 0.34 -0.75 4.62 4.23 1ziwA1 PHE 217 HB2 -0.21 0.26 -0.07 -0.04 3.15 3.09 1ziwA1 PHE 217 HB3 -0.16 0.03 -0.03 -0.04 3.06 2.85 1ziwA1 PHE 217 HD2 -0.06 0.06 -0.19 -0.04 7.28 7.06 1ziwA1 PHE 217 HE2 -0.11 0.00 -0.11 -0.04 7.38 7.12 1ziwA1 PHE 217 HZ 0.09 -0.02 -0.12 -0.04 7.32 7.23 1ziwA1 HIS 218 H 0.08 0.03 -0.39 -0.55 8.41 7.58 1ziwA1 HIS 218 HA 0.04 0.20 0.60 -0.75 4.63 4.72 1ziwA1 HIS 218 HB2 0.01 -0.03 0.06 -0.04 3.26 3.27 1ziwA1 HIS 218 HB3 0.01 0.02 0.08 -0.04 3.20 3.26 1ziwA1 HIS 218 HD2 0.02 -0.27 0.05 -0.04 6.97 6.71 1ziwA1 HIS 218 HE1 -0.02 0.12 -0.11 -0.04 7.75 7.69 1ziwA1 ALA 219 H 0.07 0.27 -0.44 -0.55 8.40 7.75 1ziwA1 ALA 219 HA 0.06 0.04 0.41 -0.75 4.34 4.10 1ziwA1 ALA 219 HB3 0.05 -0.05 -0.06 -0.04 1.41 1.31 1ziwA1 ILE 220 H 0.07 0.24 -0.56 -0.55 8.25 7.45 1ziwA1 ILE 220 HA 0.14 0.06 0.31 -0.75 4.18 3.94 1ziwA1 ILE 220 HB 0.03 0.11 -0.05 -0.04 1.89 1.93 1ziwA1 ILE 220 HG12 0.09 -0.01 -0.07 -0.04 1.49 1.47 1ziwA1 ILE 220 HG13 0.12 -0.07 -0.15 -0.04 1.21 1.06 1ziwA1 ILE 220 HG23 -0.02 -0.03 -0.18 -0.04 0.93 0.67 1ziwA1 ILE 220 HD13 0.11 -0.03 -0.05 -0.04 0.88 0.88 1ziwA1 GLY 221 H 0.07 0.49 0.23 -0.55 8.43 8.68 1ziwA1 GLY 221 HA2 0.03 0.06 0.34 -0.51 4.01 3.92 1ziwA1 GLY 221 HA3 0.03 -0.02 0.22 -0.51 4.01 3.73 1ziwA1 ARG 222 H -0.07 0.61 0.25 -0.55 8.46 8.71 1ziwA1 ARG 222 HA -0.19 0.17 0.58 -0.75 4.34 4.14 1ziwA1 ARG 222 HB2 -0.33 -0.10 0.04 -0.04 1.90 1.46 1ziwA1 ARG 222 HB3 -0.75 -0.04 -0.05 -0.04 1.80 0.92 1ziwA1 ARG 222 HG2 -0.08 0.15 0.03 -0.04 1.67 1.73 1ziwA1 ARG 222 HG3 -0.03 -0.01 -0.35 -0.04 1.67 1.23 1ziwA1 ARG 222 HD2 0.18 -0.05 -0.07 -0.04 3.22 3.25 1ziwA1 ARG 222 HD3 0.07 -0.01 -0.03 -0.04 3.22 3.21 1ziwA1 LEU 223 H -0.33 0.14 0.08 -0.55 8.37 7.71 1ziwA1 LEU 223 HA -0.22 0.20 1.00 -0.75 4.35 4.58 1ziwA1 LEU 223 HB2 -0.10 0.08 -0.11 -0.04 1.64 1.47 1ziwA1 LEU 223 HB3 -0.17 -0.02 0.07 -0.04 1.64 1.49 1ziwA1 LEU 223 HG -0.16 -0.05 -0.46 -0.04 1.64 0.92 1ziwA1 LEU 223 HD13 -0.06 0.03 -0.06 -0.04 0.93 0.80 1ziwA1 LEU 223 HD23 -0.26 -0.01 -0.11 -0.04 0.89 0.46 1ziwA1 PHE 224 H -0.08 0.85 0.23 -0.55 8.34 8.80 1ziwA1 PHE 224 HA -0.03 0.25 0.73 -0.75 4.62 4.81 1ziwA1 PHE 224 HB2 -0.00 0.05 0.18 -0.04 3.15 3.34 1ziwA1 PHE 224 HB3 -0.01 -0.07 0.09 -0.04 3.06 3.03 1ziwA1 PHE 224 HD2 -0.00 0.11 -0.22 -0.04 7.28 7.13 1ziwA1 PHE 224 HE2 0.01 0.02 -0.10 -0.04 7.38 7.27 1ziwA1 PHE 224 HZ 0.01 0.01 -0.07 -0.04 7.32 7.22 1ziwA1 GLY 225 H 0.07 0.25 0.04 -0.55 8.43 8.24 1ziwA1 GLY 225 HA2 -0.07 0.21 1.09 -0.51 4.01 4.73 1ziwA1 GLY 225 HA3 0.08 0.15 0.38 -0.51 4.01 4.12 1ziwA1 LEU 226 H -0.27 0.62 0.32 -0.55 8.37 8.49 1ziwA1 LEU 226 HA 0.04 0.24 0.98 -0.75 4.35 4.86 1ziwA1 LEU 226 HB2 -0.23 0.04 -0.11 -0.04 1.64 1.31 1ziwA1 LEU 226 HB3 -0.23 0.00 0.11 -0.04 1.64 1.49 1ziwA1 LEU 226 HG -0.07 -0.07 -0.34 -0.04 1.64 1.12 1ziwA1 LEU 226 HD13 0.09 0.02 -0.01 -0.04 0.93 0.99 1ziwA1 LEU 226 HD23 -0.51 0.00 -0.13 -0.04 0.89 0.22 1ziwA1 PHE 227 H 0.28 0.59 0.37 -0.55 8.34 9.03 1ziwA1 PHE 227 HA 0.01 0.15 1.04 -0.75 4.62 5.06 1ziwA1 PHE 227 HB2 -0.00 -0.13 0.29 -0.04 3.15 3.26 1ziwA1 PHE 227 HB3 -0.00 -0.06 0.07 -0.04 3.06 3.02 1ziwA1 PHE 227 HD2 -0.02 0.05 -0.14 -0.04 7.28 7.13 1ziwA1 PHE 227 HE2 -0.03 0.05 -0.11 -0.04 7.38 7.25 1ziwA1 PHE 227 HZ -0.03 0.07 -0.09 -0.04 7.32 7.23 1ziwA1 LEU 228 H 0.09 0.75 0.17 -0.55 8.37 8.82 1ziwA1 LEU 228 HA 0.13 0.13 0.52 -0.75 4.35 4.38 1ziwA1 LEU 228 HB2 0.10 0.06 0.09 -0.04 1.64 1.84 1ziwA1 LEU 228 HB3 0.16 0.03 0.11 -0.04 1.64 1.90 1ziwA1 LEU 228 HG 0.13 -0.09 -0.55 -0.04 1.64 1.09 1ziwA1 LEU 228 HD13 0.14 0.01 -0.14 -0.04 0.93 0.90 1ziwA1 LEU 228 HD23 0.26 0.02 -0.10 -0.04 0.89 1.04 1ziwA1 ASN 229 H 0.13 -0.01 -0.09 -0.55 8.53 8.02 1ziwA1 ASN 229 HA 0.08 0.26 0.58 -0.75 4.76 4.92 1ziwA1 ASN 229 HB2 0.07 -0.07 0.04 -0.04 2.88 2.89 1ziwA1 ASN 229 HB3 0.05 0.11 0.01 -0.04 2.79 2.92 1ziwA1 ASN 229 HD21 0.25 0.02 -0.01 -0.04 7.03 7.24 1ziwA1 ASN 229 HD22 0.12 0.03 -0.02 -0.04 7.74 7.84 1ziwA1 ASN 230 H 0.06 0.74 0.17 -0.55 8.53 8.95 1ziwA1 ASN 230 HA 0.04 0.31 0.41 -0.75 4.76 4.76 1ziwA1 ASN 230 HB2 0.01 -0.05 0.07 -0.04 2.88 2.87 1ziwA1 ASN 230 HB3 0.01 0.02 0.17 -0.04 2.79 2.95 1ziwA1 ASN 230 HD21 -0.02 -0.01 -0.13 -0.04 7.03 6.82 1ziwA1 ASN 230 HD22 -0.00 -0.01 -0.20 -0.04 7.74 7.48 1ziwA1 VAL 231 H 0.07 0.25 -0.35 -0.55 8.24 7.67 1ziwA1 VAL 231 HA 0.05 0.22 0.85 -0.75 4.13 4.50 1ziwA1 VAL 231 HB 0.12 0.04 0.04 -0.04 2.12 2.28 1ziwA1 VAL 231 HG13 0.11 0.02 -0.09 -0.04 0.97 0.97 1ziwA1 VAL 231 HG23 0.08 -0.00 -0.15 -0.04 0.95 0.84 1ziwA1 GLN 232 H 0.04 0.18 0.01 -0.55 8.47 8.16 1ziwA1 GLN 232 HA 0.06 -0.00 0.37 -0.75 4.36 4.03 1ziwA1 GLN 232 HB2 0.04 -0.02 0.00 -0.04 2.15 2.13 1ziwA1 GLN 232 HB3 0.03 0.01 0.14 -0.04 2.02 2.16 1ziwA1 GLN 232 HG2 0.04 0.07 -0.26 -0.04 2.40 2.21 1ziwA1 GLN 232 HG3 0.04 -0.03 -0.12 -0.04 2.39 2.24 1ziwA1 GLN 232 HE21 0.02 -0.02 -0.02 -0.04 6.97 6.91 1ziwA1 GLN 232 HE22 0.03 -0.02 -0.05 -0.04 7.69 7.62 1ziwA1 LEU 233 H 0.08 0.59 0.30 -0.55 8.37 8.80 1ziwA1 LEU 233 HA 0.10 0.21 0.94 -0.75 4.35 4.85 1ziwA1 LEU 233 HB2 0.11 -0.06 0.19 -0.04 1.64 1.84 1ziwA1 LEU 233 HB3 0.13 -0.13 -0.04 -0.04 1.64 1.57 1ziwA1 LEU 233 HG 0.15 0.12 -0.30 -0.04 1.64 1.57 1ziwA1 LEU 233 HD13 0.17 -0.03 -0.05 -0.04 0.93 0.97 1ziwA1 LEU 233 HD23 0.33 0.03 -0.16 -0.04 0.89 1.04 1ziwA1 GLY 234 H 0.08 0.20 0.13 -0.55 8.43 8.29 1ziwA1 GLY 234 HA2 0.05 0.27 0.47 -0.51 4.01 4.29 1ziwA1 GLY 234 HA3 0.05 0.14 0.76 -0.51 4.01 4.44 1ziwA1 PRO 235 HA -0.04 0.07 0.37 -0.51 4.44 4.33 1ziwA1 PRO 235 HB2 -0.01 0.01 0.02 -0.04 2.28 2.26 1ziwA1 PRO 235 HB3 -0.01 0.15 0.15 -0.04 2.02 2.27 1ziwA1 PRO 235 HG2 0.02 0.04 0.15 -0.04 2.03 2.20 1ziwA1 PRO 235 HG3 0.02 0.03 0.15 -0.04 2.03 2.19 1ziwA1 PRO 235 HD2 0.03 0.19 0.35 -0.04 3.68 4.20 1ziwA1 PRO 235 HD3 0.04 0.03 0.40 -0.04 3.65 4.08 1ziwA1 SER 236 H 0.01 0.16 -0.13 -0.55 8.46 7.96 1ziwA1 SER 236 HA -0.01 0.06 0.37 -0.75 4.49 4.15 1ziwA1 SER 236 HB2 0.02 0.06 0.09 -0.04 3.95 4.08 1ziwA1 SER 236 HB3 0.01 0.04 0.02 -0.04 3.93 3.97 1ziwA1 LEU 237 H 0.05 0.25 -0.14 -0.55 8.37 7.98 1ziwA1 LEU 237 HA 0.10 0.05 0.56 -0.75 4.35 4.31 1ziwA1 LEU 237 HB2 0.09 0.05 0.11 -0.04 1.64 1.84 1ziwA1 LEU 237 HB3 0.13 0.04 -0.02 -0.04 1.64 1.75 1ziwA1 LEU 237 HG 0.44 -0.07 -0.15 -0.04 1.64 1.82 1ziwA1 LEU 237 HD13 0.15 -0.04 -0.06 -0.04 0.93 0.94 1ziwA1 LEU 237 HD23 0.07 0.02 0.06 -0.04 0.89 1.00 1ziwA1 THR 238 H 0.03 0.57 -0.21 -0.55 8.28 8.12 1ziwA1 THR 238 HA -0.00 0.02 0.43 -0.75 4.39 4.09 1ziwA1 THR 238 HB -0.10 0.06 0.06 -0.04 4.32 4.29 1ziwA1 THR 238 HG23 -0.10 0.00 -0.10 -0.04 1.22 0.99 1ziwA1 GLU 239 H -0.06 0.41 -0.22 -0.55 8.60 8.18 1ziwA1 GLU 239 HA -0.11 0.33 0.62 -0.75 4.29 4.37 1ziwA1 GLU 239 HB2 -0.10 -0.06 0.15 -0.04 2.09 2.04 1ziwA1 GLU 239 HB3 -0.04 0.14 0.17 -0.04 1.99 2.22 1ziwA1 GLU 239 HG2 -0.03 -0.02 -0.18 -0.04 2.34 2.06 1ziwA1 GLU 239 HG3 -0.07 0.10 0.04 -0.04 2.34 2.37 1ziwA1 LYS 240 H 0.01 0.34 -0.13 -0.55 8.42 8.09 1ziwA1 LYS 240 HA 0.02 0.03 0.60 -0.75 4.32 4.23 1ziwA1 LYS 240 HB2 0.12 0.12 0.19 -0.04 1.87 2.26 1ziwA1 LYS 240 HB3 0.11 -0.03 0.07 -0.04 1.79 1.90 1ziwA1 LYS 240 HG2 0.03 -0.03 0.06 -0.04 1.46 1.47 1ziwA1 LYS 240 HG3 0.04 0.17 0.12 -0.04 1.46 1.75 1ziwA1 LYS 240 HD2 0.06 0.01 0.02 -0.04 1.69 1.74 1ziwA1 LYS 240 HD3 0.06 -0.01 0.04 -0.04 1.68 1.72 1ziwA1 LYS 240 HE2 0.02 -0.01 0.01 -0.04 2.99 2.97 1ziwA1 LYS 240 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 1ziwA1 LEU 241 H -0.05 0.56 -0.18 -0.55 8.37 8.16 1ziwA1 LEU 241 HA -0.41 -0.03 0.35 -0.75 4.35 3.51 1ziwA1 LEU 241 HB2 -0.80 -0.02 0.03 -0.04 1.64 0.81 1ziwA1 LEU 241 HB3 -0.18 0.18 0.20 -0.04 1.64 1.80 1ziwA1 LEU 241 HG -0.19 0.03 -0.41 -0.04 1.64 1.03 1ziwA1 LEU 241 HD13 -0.55 -0.02 -0.11 -0.04 0.93 0.21 1ziwA1 LEU 241 HD23 -0.10 -0.01 -0.09 -0.04 0.89 0.65 1ziwA1 CYS 242 H -0.05 0.59 -0.10 -0.55 8.50 8.39 1ziwA1 CYS 242 HA 0.00 0.04 0.36 -0.75 4.58 4.23 1ziwA1 CYS 242 HB2 0.02 0.15 0.16 -0.04 2.97 3.26 1ziwA1 CYS 242 HB3 0.11 -0.14 -0.07 -0.04 2.97 2.83 1ziwA1 LEU 243 H 0.01 0.44 -0.26 -0.55 8.37 8.02 1ziwA1 LEU 243 HA 0.07 0.01 0.55 -0.75 4.35 4.22 1ziwA1 LEU 243 HB2 0.02 0.07 0.19 -0.04 1.64 1.88 1ziwA1 LEU 243 HB3 0.02 0.17 0.16 -0.04 1.64 1.95 1ziwA1 LEU 243 HG -0.02 0.00 -0.04 -0.04 1.64 1.54 1ziwA1 LEU 243 HD13 -0.01 -0.01 0.06 -0.04 0.93 0.94 1ziwA1 LEU 243 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.85 1ziwA1 GLU 244 H 0.05 0.44 -0.17 -0.55 8.60 8.38 1ziwA1 GLU 244 HA 0.13 -0.01 0.54 -0.75 4.29 4.20 1ziwA1 GLU 244 HB2 0.20 0.19 0.11 -0.04 2.09 2.55 1ziwA1 GLU 244 HB3 0.26 -0.23 0.03 -0.04 1.99 2.00 1ziwA1 GLU 244 HG2 0.10 0.25 0.05 -0.04 2.34 2.69 1ziwA1 GLU 244 HG3 0.13 -0.06 -0.10 -0.04 2.34 2.27 1ziwA1 LEU 245 H 0.03 0.25 -0.50 -0.55 8.37 7.60 1ziwA1 LEU 245 HA -0.12 0.03 0.51 -0.75 4.35 4.01 1ziwA1 LEU 245 HB2 -0.04 0.09 0.02 -0.04 1.64 1.66 1ziwA1 LEU 245 HB3 -0.10 -0.06 -0.04 -0.04 1.64 1.40 1ziwA1 LEU 245 HG -0.28 0.10 -0.13 -0.04 1.64 1.28 1ziwA1 LEU 245 HD13 -0.21 -0.04 -0.16 -0.04 0.93 0.48 1ziwA1 LEU 245 HD23 -0.69 -0.02 -0.12 -0.04 0.89 0.02 1ziwA1 ALA 246 H 0.08 0.20 -0.29 -0.55 8.40 7.84 1ziwA1 ALA 246 HA 0.23 0.06 0.45 -0.75 4.34 4.32 1ziwA1 ALA 246 HB3 -0.02 -0.03 0.18 -0.04 1.41 1.50 1ziwA1 ASN 247 H 0.22 0.56 0.37 -0.55 8.53 9.13 1ziwA1 ASN 247 HA 0.14 0.13 0.47 -0.75 4.76 4.75 1ziwA1 ASN 247 HB2 0.06 0.10 -0.05 -0.04 2.88 2.95 1ziwA1 ASN 247 HB3 0.07 -0.05 0.24 -0.04 2.79 3.01 1ziwA1 ASN 247 HD21 0.22 -0.08 0.06 -0.04 7.03 7.19 1ziwA1 ASN 247 HD22 0.15 0.09 0.12 -0.04 7.74 8.05 1ziwA1 THR 248 H 0.03 0.44 -0.10 -0.55 8.28 8.11 1ziwA1 THR 248 HA -0.02 0.19 0.87 -0.75 4.39 4.67 1ziwA1 THR 248 HB -0.15 -0.12 0.16 -0.04 4.32 4.16 1ziwA1 THR 248 HG23 -0.35 0.03 -0.18 -0.04 1.22 0.68 1ziwA1 SER 249 H -0.13 0.08 0.18 -0.55 8.46 8.04 1ziwA1 SER 249 HA 0.03 0.14 0.56 -0.75 4.49 4.46 1ziwA1 SER 249 HB2 -0.47 -0.09 -0.00 -0.04 3.95 3.35 1ziwA1 SER 249 HB3 0.00 -0.02 0.09 -0.04 3.93 3.96 1ziwA1 ILE 250 H -0.06 0.02 -0.55 -0.55 8.25 7.12 1ziwA1 ILE 250 HA -0.03 0.05 0.24 -0.75 4.18 3.68 1ziwA1 ILE 250 HB -0.15 -0.00 -0.04 -0.04 1.89 1.66 1ziwA1 ILE 250 HG12 -0.14 -0.07 -0.20 -0.04 1.49 1.04 1ziwA1 ILE 250 HG13 -0.08 -0.03 -0.26 -0.04 1.21 0.80 1ziwA1 ILE 250 HG23 -0.06 0.00 -0.09 -0.04 0.93 0.74 1ziwA1 ILE 250 HD13 -0.17 -0.01 -0.30 -0.04 0.88 0.36 1ziwA1 ARG 251 H 0.06 0.61 0.47 -0.55 8.46 9.05 1ziwA1 ARG 251 HA 0.03 0.22 1.00 -0.75 4.34 4.83 1ziwA1 ARG 251 HB2 0.06 -0.00 0.15 -0.04 1.90 2.07 1ziwA1 ARG 251 HB3 0.04 -0.09 0.16 -0.04 1.80 1.88 1ziwA1 ARG 251 HG2 0.24 0.11 0.11 -0.04 1.67 2.09 1ziwA1 ARG 251 HG3 0.05 -0.08 0.06 -0.04 1.67 1.66 1ziwA1 ARG 251 HD2 0.10 0.16 -0.29 -0.04 3.22 3.15 1ziwA1 ARG 251 HD3 0.13 -0.04 -0.02 -0.04 3.22 3.25 1ziwA1 ASN 252 H -0.02 0.52 0.45 -0.55 8.53 8.94 1ziwA1 ASN 252 HA -0.04 0.21 1.10 -0.75 4.76 5.27 1ziwA1 ASN 252 HB2 -0.07 0.04 0.27 -0.04 2.88 3.07 1ziwA1 ASN 252 HB3 -0.19 -0.06 -0.01 -0.04 2.79 2.49 1ziwA1 ASN 252 HD21 0.01 0.02 -0.03 -0.04 7.03 6.99 1ziwA1 ASN 252 HD22 -0.01 -0.05 -0.03 -0.04 7.74 7.61 1ziwA1 LEU 253 H -0.10 0.63 0.30 -0.55 8.37 8.65 1ziwA1 LEU 253 HA -0.22 0.25 1.08 -0.75 4.35 4.70 1ziwA1 LEU 253 HB2 -0.10 0.05 -0.14 -0.04 1.64 1.40 1ziwA1 LEU 253 HB3 -0.08 -0.00 0.13 -0.04 1.64 1.65 1ziwA1 LEU 253 HG -0.02 -0.09 -0.32 -0.04 1.64 1.17 1ziwA1 LEU 253 HD13 -0.13 0.03 -0.05 -0.04 0.93 0.74 1ziwA1 LEU 253 HD23 0.02 0.00 -0.12 -0.04 0.89 0.75 1ziwA1 SER 254 H -0.26 0.64 0.35 -0.55 8.46 8.64 1ziwA1 SER 254 HA -0.04 0.10 1.15 -0.75 4.49 4.95 1ziwA1 SER 254 HB2 -0.22 0.06 -0.08 -0.04 3.95 3.67 1ziwA1 SER 254 HB3 -0.39 0.00 0.17 -0.04 3.93 3.67 1ziwA1 LEU 255 H 0.07 0.79 0.25 -0.55 8.37 8.92 1ziwA1 LEU 255 HA 0.09 0.22 0.66 -0.75 4.35 4.56 1ziwA1 LEU 255 HB2 0.16 0.04 0.13 -0.04 1.64 1.93 1ziwA1 LEU 255 HB3 0.14 -0.03 0.16 -0.04 1.64 1.87 1ziwA1 LEU 255 HG 0.08 -0.08 -0.41 -0.04 1.64 1.19 1ziwA1 LEU 255 HD13 0.26 -0.00 -0.09 -0.04 0.93 1.06 1ziwA1 LEU 255 HD23 0.07 0.03 -0.09 -0.04 0.89 0.86 1ziwA1 SER 256 H 0.09 -0.01 -0.14 -0.55 8.46 7.86 1ziwA1 SER 256 HA 0.14 0.31 0.36 -0.75 4.49 4.56 1ziwA1 SER 256 HB2 0.10 -0.07 0.04 -0.04 3.95 3.97 1ziwA1 SER 256 HB3 0.08 -0.08 0.03 -0.04 3.93 3.92 1ziwA1 ASN 257 H 0.17 0.50 0.08 -0.55 8.53 8.74 1ziwA1 ASN 257 HA 0.12 0.27 0.46 -0.75 4.76 4.86 1ziwA1 ASN 257 HB2 0.07 0.03 0.02 -0.04 2.88 2.95 1ziwA1 ASN 257 HB3 0.04 -0.05 -0.02 -0.04 2.79 2.72 1ziwA1 ASN 257 HD21 0.01 0.02 0.04 -0.04 7.03 7.06 1ziwA1 ASN 257 HD22 -0.01 -0.04 0.04 -0.04 7.74 7.69 1ziwA1 SER 258 H 0.11 0.19 -0.10 -0.55 8.46 8.11 1ziwA1 SER 258 HA 0.08 0.32 0.82 -0.75 4.49 4.96 1ziwA1 SER 258 HB2 0.10 0.03 0.30 -0.04 3.95 4.35 1ziwA1 SER 258 HB3 0.10 0.07 -0.03 -0.04 3.93 4.03 1ziwA1 GLN 259 H 0.08 0.12 -0.22 -0.55 8.47 7.91 1ziwA1 GLN 259 HA 0.07 0.16 0.24 -0.75 4.36 4.08 1ziwA1 GLN 259 HB2 0.06 0.04 -0.26 -0.04 2.15 1.95 1ziwA1 GLN 259 HB3 0.05 -0.04 0.25 -0.04 2.02 2.25 1ziwA1 GLN 259 HG2 0.05 0.02 -0.00 -0.04 2.40 2.43 1ziwA1 GLN 259 HG3 0.06 0.02 -0.05 -0.04 2.39 2.38 1ziwA1 GLN 259 HE21 0.04 0.02 -0.09 -0.04 6.97 6.90 1ziwA1 GLN 259 HE22 0.05 0.02 -0.13 -0.04 7.69 7.59 1ziwA1 LEU 260 H 0.10 0.08 -0.12 -0.55 8.37 7.88 1ziwA1 LEU 260 HA 0.08 0.01 0.74 -0.75 4.35 4.42 1ziwA1 LEU 260 HB2 0.13 0.01 0.04 -0.04 1.64 1.78 1ziwA1 LEU 260 HB3 0.14 0.02 0.19 -0.04 1.64 1.96 1ziwA1 LEU 260 HG 0.16 0.02 -0.11 -0.04 1.64 1.67 1ziwA1 LEU 260 HD13 0.04 -0.02 0.01 -0.04 0.93 0.92 1ziwA1 LEU 260 HD23 0.36 0.00 -0.02 -0.04 0.89 1.20 1ziwA1 SER 261 H 0.06 0.31 0.11 -0.55 8.46 8.40 1ziwA1 SER 261 HA 0.06 0.28 0.23 -0.75 4.49 4.31 1ziwA1 SER 261 HB2 0.05 -0.06 0.15 -0.04 3.95 4.04 1ziwA1 SER 261 HB3 0.05 -0.02 0.07 -0.04 3.93 3.99 1ziwA1 THR 262 H 0.06 0.20 -0.01 -0.55 8.28 7.97 1ziwA1 THR 262 HA 0.07 0.19 0.88 -0.75 4.39 4.78 1ziwA1 THR 262 HB 0.06 0.05 0.17 -0.04 4.32 4.55 1ziwA1 THR 262 HG23 0.05 -0.02 -0.11 -0.04 1.22 1.10 1ziwA1 THR 263 H 0.07 0.58 0.42 -0.55 8.28 8.80 1ziwA1 THR 263 HA 0.02 0.15 0.83 -0.75 4.39 4.63 1ziwA1 THR 263 HB 0.07 0.06 0.13 -0.04 4.32 4.54 1ziwA1 THR 263 HG23 0.34 0.02 -0.11 -0.04 1.22 1.43 1ziwA1 SER 264 H -0.02 0.18 0.27 -0.55 8.46 8.34 1ziwA1 SER 264 HA 0.01 0.18 0.84 -0.75 4.49 4.77 1ziwA1 SER 264 HB2 0.02 0.07 0.16 -0.04 3.95 4.15 1ziwA1 SER 264 HB3 0.01 0.08 -0.10 -0.04 3.93 3.88 1ziwA1 ASN 265 H 0.04 0.21 0.06 -0.55 8.53 8.29 1ziwA1 ASN 265 HA 0.16 0.25 0.18 -0.75 4.76 4.60 1ziwA1 ASN 265 HB2 0.22 0.05 0.11 -0.04 2.88 3.22 1ziwA1 ASN 265 HB3 0.02 0.33 0.08 -0.04 2.79 3.18 1ziwA1 ASN 265 HD21 0.04 -0.02 -0.02 -0.04 7.03 6.99 1ziwA1 ASN 265 HD22 0.04 0.04 -0.01 -0.04 7.74 7.77 1ziwA1 THR 266 H 0.08 -0.11 -0.53 -0.55 8.28 7.17 1ziwA1 THR 266 HA 0.03 0.32 1.05 -0.75 4.39 5.03 1ziwA1 THR 266 HB -0.04 0.05 0.07 -0.04 4.32 4.36 1ziwA1 THR 266 HG23 0.02 0.01 -0.11 -0.04 1.22 1.10 1ziwA1 THR 267 H -0.00 0.14 -0.01 -0.55 8.28 7.86 1ziwA1 THR 267 HA -0.18 0.06 0.29 -0.75 4.39 3.81 1ziwA1 THR 267 HB -0.34 0.14 0.21 -0.04 4.32 4.29 1ziwA1 THR 267 HG23 -0.79 0.04 -0.02 -0.04 1.22 0.41 1ziwA1 PHE 268 H 0.23 0.22 -0.23 -0.55 8.34 8.01 1ziwA1 PHE 268 HA 0.09 0.21 0.83 -0.75 4.62 5.00 1ziwA1 PHE 268 HB2 0.34 0.19 0.03 -0.04 3.15 3.67 1ziwA1 PHE 268 HB3 0.21 -0.00 0.06 -0.04 3.06 3.29 1ziwA1 PHE 268 HD2 0.10 0.13 -0.05 -0.04 7.28 7.41 1ziwA1 PHE 268 HE2 0.20 -0.02 -0.09 -0.04 7.38 7.43 1ziwA1 PHE 268 HZ 0.20 -0.01 -0.08 -0.04 7.32 7.39 1ziwA1 LEU 269 H -0.10 0.39 -0.43 -0.55 8.37 7.68 1ziwA1 LEU 269 HA -1.38 0.05 0.34 -0.75 4.35 2.60 1ziwA1 LEU 269 HB2 -0.53 0.02 0.17 -0.04 1.64 1.26 1ziwA1 LEU 269 HB3 -0.27 0.02 0.09 -0.04 1.64 1.44 1ziwA1 LEU 269 HG -0.41 0.00 -0.08 -0.04 1.64 1.11 1ziwA1 LEU 269 HD13 -1.92 0.01 0.07 -0.04 0.93 -0.96 1ziwA1 LEU 269 HD23 -0.32 -0.00 0.04 -0.04 0.89 0.56 1ziwA1 GLY 270 H -0.01 0.16 -0.25 -0.55 8.43 7.79 1ziwA1 GLY 270 HA2 0.43 0.05 0.39 -0.51 4.01 4.37 1ziwA1 GLY 270 HA3 0.15 0.03 -0.20 -0.51 4.01 3.47 1ziwA1 LEU 271 H 0.13 0.47 -0.46 -0.55 8.37 7.97 1ziwA1 LEU 271 HA 0.13 0.09 0.38 -0.75 4.35 4.20 1ziwA1 LEU 271 HB2 0.20 0.15 -0.01 -0.04 1.64 1.94 1ziwA1 LEU 271 HB3 0.08 -0.03 0.03 -0.04 1.64 1.68 1ziwA1 LEU 271 HG 0.24 -0.08 -0.03 -0.04 1.64 1.73 1ziwA1 LEU 271 HD13 0.11 -0.02 -0.08 -0.04 0.93 0.90 1ziwA1 LEU 271 HD23 0.06 0.01 -0.16 -0.04 0.89 0.76 1ziwA1 LYS 272 H -0.03 0.38 -0.28 -0.55 8.42 7.93 1ziwA1 LYS 272 HA -0.01 0.21 0.69 -0.75 4.32 4.45 1ziwA1 LYS 272 HB2 -0.09 -0.08 0.18 -0.04 1.87 1.83 1ziwA1 LYS 272 HB3 -0.52 0.32 0.24 -0.04 1.79 1.79 1ziwA1 LYS 272 HG2 -1.25 -0.07 0.01 -0.04 1.46 0.11 1ziwA1 LYS 272 HG3 -1.67 0.02 -0.23 -0.04 1.46 -0.45 1ziwA1 LYS 272 HD2 -0.29 0.06 0.06 -0.04 1.69 1.48 1ziwA1 LYS 272 HD3 -0.32 -0.06 0.02 -0.04 1.68 1.27 1ziwA1 LYS 272 HE2 -0.56 -0.06 -0.04 -0.04 2.99 2.30 1ziwA1 LYS 272 HE3 -1.27 0.02 -0.17 -0.04 2.99 1.52 1ziwA1 TRP 273 H 0.27 0.30 -0.27 -0.55 7.97 7.71 1ziwA1 TRP 273 HA 0.03 0.17 0.69 -0.75 4.62 4.75 1ziwA1 TRP 273 HB2 0.01 0.06 0.25 -0.04 3.23 3.51 1ziwA1 TRP 273 HB3 0.02 -0.05 0.31 -0.04 3.23 3.48 1ziwA1 TRP 273 HD1 0.01 0.02 0.03 -0.04 7.22 7.24 1ziwA1 TRP 273 HE1 -0.01 -0.03 -0.01 -0.04 10.20 10.11 1ziwA1 TRP 273 HE3 -0.04 0.22 0.16 -0.04 7.59 7.89 1ziwA1 TRP 273 HZ2 -0.04 -0.03 -0.01 -0.04 7.44 7.32 1ziwA1 TRP 273 HZ3 -0.12 -0.07 -0.06 -0.04 7.13 6.84 1ziwA1 TRP 273 HH2 -0.10 -0.05 -0.02 -0.04 7.19 6.98 1ziwA1 THR 274 H 0.09 0.56 -0.52 -0.55 8.28 7.85 1ziwA1 THR 274 HA 0.10 0.22 0.77 -0.75 4.39 4.72 1ziwA1 THR 274 HB 0.03 0.06 0.11 -0.04 4.32 4.48 1ziwA1 THR 274 HG23 0.09 -0.01 -0.20 -0.04 1.22 1.05 1ziwA1 ASN 275 H 0.04 0.29 0.03 -0.55 8.53 8.34 1ziwA1 ASN 275 HA 0.01 0.18 0.89 -0.75 4.76 5.09 1ziwA1 ASN 275 HB2 0.04 0.04 0.10 -0.04 2.88 3.03 1ziwA1 ASN 275 HB3 0.02 -0.02 0.17 -0.04 2.79 2.92 1ziwA1 ASN 275 HD21 0.05 -0.03 -0.06 -0.04 7.03 6.95 1ziwA1 ASN 275 HD22 0.06 0.02 -0.03 -0.04 7.74 7.75 1ziwA1 LEU 276 H -0.01 0.12 -0.35 -0.55 8.37 7.59 1ziwA1 LEU 276 HA -0.02 0.08 0.34 -0.75 4.35 4.01 1ziwA1 LEU 276 HB2 -0.03 0.02 -0.03 -0.04 1.64 1.56 1ziwA1 LEU 276 HB3 -0.08 -0.05 -0.08 -0.04 1.64 1.40 1ziwA1 LEU 276 HG -0.07 0.02 -0.16 -0.04 1.64 1.40 1ziwA1 LEU 276 HD13 -0.06 -0.04 -0.43 -0.04 0.93 0.36 1ziwA1 LEU 276 HD23 -0.12 -0.03 -0.15 -0.04 0.89 0.55 1ziwA1 THR 277 H -0.01 0.59 0.48 -0.55 8.28 8.80 1ziwA1 THR 277 HA -0.09 0.25 1.03 -0.75 4.39 4.82 1ziwA1 THR 277 HB -0.02 -0.14 0.18 -0.04 4.32 4.31 1ziwA1 THR 277 HG23 -0.03 0.16 -0.04 -0.04 1.22 1.28 1ziwA1 MET 278 H 0.01 0.60 0.42 -0.55 8.47 8.96 1ziwA1 MET 278 HA 0.15 0.32 1.00 -0.75 4.52 5.23 1ziwA1 MET 278 HB2 0.23 0.04 0.01 -0.04 2.15 2.39 1ziwA1 MET 278 HB3 0.07 -0.09 0.23 -0.04 2.03 2.20 1ziwA1 MET 278 HG2 0.45 0.05 0.05 -0.04 2.63 3.14 1ziwA1 MET 278 HG3 0.18 -0.02 -0.02 -0.04 2.56 2.66 1ziwA1 MET 278 HE3 -0.09 -0.06 -0.15 -0.04 2.10 1.75 1ziwA1 LEU 279 H 0.09 0.56 0.36 -0.55 8.37 8.84 1ziwA1 LEU 279 HA -0.02 0.30 0.98 -0.75 4.35 4.85 1ziwA1 LEU 279 HB2 -0.27 0.06 -0.09 -0.04 1.64 1.31 1ziwA1 LEU 279 HB3 -0.36 -0.04 0.09 -0.04 1.64 1.29 1ziwA1 LEU 279 HG 0.00 -0.09 -0.28 -0.04 1.64 1.23 1ziwA1 LEU 279 HD13 -0.07 0.03 -0.04 -0.04 0.93 0.80 1ziwA1 LEU 279 HD23 -0.74 0.00 -0.12 -0.04 0.89 -0.00 1ziwA1 ASP 280 H 0.06 0.59 0.35 -0.55 8.40 8.86 1ziwA1 ASP 280 HA 0.31 0.19 1.19 -0.75 4.63 5.56 1ziwA1 ASP 280 HB2 0.04 0.07 0.00 -0.04 2.71 2.78 1ziwA1 ASP 280 HB3 0.02 -0.10 0.29 -0.04 2.70 2.87 1ziwA1 LEU 281 H 0.18 0.76 0.23 -0.55 8.37 8.98 1ziwA1 LEU 281 HA 0.15 0.17 0.75 -0.75 4.35 4.67 1ziwA1 LEU 281 HB2 0.10 0.05 0.06 -0.04 1.64 1.81 1ziwA1 LEU 281 HB3 0.19 -0.02 0.14 -0.04 1.64 1.91 1ziwA1 LEU 281 HG 0.26 -0.03 -0.26 -0.04 1.64 1.58 1ziwA1 LEU 281 HD13 0.34 0.00 -0.10 -0.04 0.93 1.13 1ziwA1 LEU 281 HD23 0.22 0.03 -0.21 -0.04 0.89 0.89 1ziwA1 SER 282 H 0.14 -0.04 -0.17 -0.55 8.46 7.84 1ziwA1 SER 282 HA 0.03 0.32 0.25 -0.75 4.49 4.33 1ziwA1 SER 282 HB2 0.09 0.14 0.02 -0.04 3.95 4.16 1ziwA1 SER 282 HB3 0.15 -0.14 -0.03 -0.04 3.93 3.88 1ziwA1 TYR 283 H -0.12 0.68 0.34 -0.55 8.29 8.64 1ziwA1 TYR 283 HA 0.09 0.29 0.54 -0.75 4.56 4.73 1ziwA1 TYR 283 HB2 0.03 -0.05 -0.29 -0.04 3.06 2.70 1ziwA1 TYR 283 HB3 0.02 -0.02 0.22 -0.04 2.98 3.17 1ziwA1 TYR 283 HD2 -0.01 -0.04 -0.07 -0.04 7.15 6.99 1ziwA1 TYR 283 HE2 -0.28 -0.01 -0.04 -0.04 6.85 6.48 1ziwA1 ASN 284 H 0.08 0.26 -0.00 -0.55 8.53 8.32 1ziwA1 ASN 284 HA 0.11 0.05 0.92 -0.75 4.76 5.09 1ziwA1 ASN 284 HB2 0.10 0.27 0.04 -0.04 2.88 3.25 1ziwA1 ASN 284 HB3 0.10 0.17 0.09 -0.04 2.79 3.11 1ziwA1 ASN 284 HD21 0.14 0.65 0.17 -0.04 7.03 7.95 1ziwA1 ASN 284 HD22 0.14 0.22 -0.10 -0.04 7.74 7.95 1ziwA1 ASN 285 H 0.07 0.21 -0.11 -0.55 8.53 8.16 1ziwA1 ASN 285 HA 0.05 0.06 0.16 -0.75 4.76 4.28 1ziwA1 ASN 285 HB2 0.06 0.09 -0.12 -0.04 2.88 2.87 1ziwA1 ASN 285 HB3 0.05 0.01 0.16 -0.04 2.79 2.97 1ziwA1 ASN 285 HD21 0.07 0.01 -0.06 -0.04 7.03 7.01 1ziwA1 ASN 285 HD22 0.06 0.04 -0.06 -0.04 7.74 7.73 1ziwA1 LEU 286 H 0.03 -0.06 -0.31 -0.55 8.37 7.49 1ziwA1 LEU 286 HA 0.06 0.19 0.37 -0.75 4.35 4.21 1ziwA1 LEU 286 HB2 0.08 0.13 0.03 -0.04 1.64 1.84 1ziwA1 LEU 286 HB3 0.01 -0.09 0.08 -0.04 1.64 1.60 1ziwA1 LEU 286 HG 0.04 -0.07 -0.38 -0.04 1.64 1.18 1ziwA1 LEU 286 HD13 0.11 0.02 -0.30 -0.04 0.93 0.72 1ziwA1 LEU 286 HD23 0.14 -0.00 -0.09 -0.04 0.89 0.90 1ziwA1 ASN 287 H 0.04 0.71 0.39 -0.55 8.53 9.13 1ziwA1 ASN 287 HA 0.02 0.35 0.67 -0.75 4.76 5.05 1ziwA1 ASN 287 HB2 0.04 0.09 0.10 -0.04 2.88 3.07 1ziwA1 ASN 287 HB3 0.05 -0.01 0.24 -0.04 2.79 3.02 1ziwA1 ASN 287 HD21 0.06 -0.03 0.02 -0.04 7.03 7.04 1ziwA1 ASN 287 HD22 0.05 -0.02 0.03 -0.04 7.74 7.76 1ziwA1 VAL 288 H 0.05 0.28 0.34 -0.55 8.24 8.36 1ziwA1 VAL 288 HA -0.01 0.18 0.99 -0.75 4.13 4.55 1ziwA1 VAL 288 HB 0.08 -0.07 0.25 -0.04 2.12 2.35 1ziwA1 VAL 288 HG13 0.23 -0.00 -0.06 -0.04 0.97 1.09 1ziwA1 VAL 288 HG23 0.09 0.02 -0.01 -0.04 0.95 1.02 1ziwA1 VAL 289 H -0.10 0.27 0.09 -0.55 8.24 7.95 1ziwA1 VAL 289 HA 0.06 0.08 0.90 -0.75 4.13 4.42 1ziwA1 VAL 289 HB -0.01 -0.07 0.19 -0.04 2.12 2.20 1ziwA1 VAL 289 HG13 0.16 0.03 -0.10 -0.04 0.97 1.02 1ziwA1 VAL 289 HG23 0.09 0.02 -0.15 -0.04 0.95 0.86 1ziwA1 GLY 290 H 0.05 0.47 0.07 -0.55 8.43 8.48 1ziwA1 GLY 290 HA2 0.23 0.00 0.37 -0.51 4.01 4.09 1ziwA1 GLY 290 HA3 0.06 0.02 0.39 -0.51 4.01 3.96 1ziwA1 ASN 291 H 0.07 0.09 0.15 -0.55 8.53 8.29 1ziwA1 ASN 291 HA 0.08 0.02 0.18 -0.75 4.76 4.27 1ziwA1 ASN 291 HB2 -0.07 -0.02 0.11 -0.04 2.88 2.86 1ziwA1 ASN 291 HB3 -0.09 0.09 -0.11 -0.04 2.79 2.65 1ziwA1 ASN 291 HD21 -0.16 -0.01 0.02 -0.04 7.03 6.84 1ziwA1 ASN 291 HD22 -0.17 0.06 0.02 -0.04 7.74 7.61 1ziwA1 ASP 292 H -0.08 0.68 0.25 -0.55 8.40 8.70 1ziwA1 ASP 292 HA -0.24 0.09 0.32 -0.75 4.63 4.04 1ziwA1 ASP 292 HB2 -0.13 0.16 -0.09 -0.04 2.71 2.61 1ziwA1 ASP 292 HB3 -0.35 -0.00 0.20 -0.04 2.70 2.52 1ziwA1 SER 293 H -0.23 0.46 -0.32 -0.55 8.46 7.83 1ziwA1 SER 293 HA -0.13 0.04 -0.08 -0.75 4.49 3.56 1ziwA1 SER 293 HB2 -1.13 0.12 -0.04 -0.04 3.95 2.86 1ziwA1 SER 293 HB3 -0.80 -0.05 -0.11 -0.04 3.93 2.92 1ziwA1 PHE 294 H -0.35 0.17 -0.41 -0.55 8.34 7.19 1ziwA1 PHE 294 HA -0.13 0.18 0.79 -0.75 4.62 4.71 1ziwA1 PHE 294 HB2 -0.15 0.10 -0.10 -0.04 3.15 2.96 1ziwA1 PHE 294 HB3 -0.29 0.02 -0.00 -0.04 3.06 2.74 1ziwA1 PHE 294 HD2 -0.12 0.08 -0.13 -0.04 7.28 7.07 1ziwA1 PHE 294 HE2 0.11 -0.02 -0.14 -0.04 7.38 7.29 1ziwA1 PHE 294 HZ 0.24 -0.03 -0.11 -0.04 7.32 7.38 1ziwA1 ALA 295 H -0.68 0.31 -0.35 -0.55 8.40 7.14 1ziwA1 ALA 295 HA -0.47 0.09 0.33 -0.75 4.34 3.54 1ziwA1 ALA 295 HB3 -1.23 -0.01 0.04 -0.04 1.41 0.16 1ziwA1 TRP 296 H -0.81 0.06 -0.58 -0.55 7.97 6.09 1ziwA1 TRP 296 HA -0.11 0.14 0.46 -0.75 4.62 4.36 1ziwA1 TRP 296 HB2 -0.00 0.06 -0.23 -0.04 3.23 3.02 1ziwA1 TRP 296 HB3 -0.10 -0.00 0.09 -0.04 3.23 3.17 1ziwA1 TRP 296 HD1 0.11 -0.05 -0.43 -0.04 7.22 6.81 1ziwA1 TRP 296 HE1 -0.01 0.07 -0.13 -0.04 10.20 10.08 1ziwA1 TRP 296 HE3 -0.12 0.09 -0.11 -0.04 7.59 7.40 1ziwA1 TRP 296 HZ2 -0.04 0.11 0.11 -0.04 7.44 7.58 1ziwA1 TRP 296 HZ3 -0.08 0.00 -0.04 -0.04 7.13 6.97 1ziwA1 TRP 296 HH2 -0.05 -0.05 -0.00 -0.04 7.19 7.05 1ziwA1 LEU 297 H -0.17 0.41 -0.65 -0.55 8.37 7.41 1ziwA1 LEU 297 HA -0.07 0.28 0.87 -0.75 4.35 4.67 1ziwA1 LEU 297 HB2 -0.22 0.07 0.06 -0.04 1.64 1.51 1ziwA1 LEU 297 HB3 -0.23 -0.05 0.06 -0.04 1.64 1.38 1ziwA1 LEU 297 HG 0.05 -0.13 -0.44 -0.04 1.64 1.08 1ziwA1 LEU 297 HD13 -0.31 -0.03 -0.11 -0.04 0.93 0.44 1ziwA1 LEU 297 HD23 -0.04 0.06 -0.15 -0.04 0.89 0.72 1ziwA1 PRO 298 HA -0.83 0.16 0.55 -0.51 4.44 3.81 1ziwA1 PRO 298 HB2 -0.07 0.00 0.04 -0.04 2.28 2.21 1ziwA1 PRO 298 HB3 -0.22 0.01 0.15 -0.04 2.02 1.92 1ziwA1 PRO 298 HG2 -0.05 0.06 0.04 -0.04 2.03 2.04 1ziwA1 PRO 298 HG3 -0.01 0.02 0.06 -0.04 2.03 2.06 1ziwA1 PRO 298 HD2 -0.06 0.31 -0.11 -0.04 3.68 3.78 1ziwA1 PRO 298 HD3 -0.09 0.11 -0.18 -0.04 3.65 3.45 1ziwA1 GLN 299 H -0.15 0.13 -0.33 -0.55 8.47 7.58 1ziwA1 GLN 299 HA -0.10 0.15 0.70 -0.75 4.36 4.35 1ziwA1 GLN 299 HB2 -0.06 0.09 -0.15 -0.04 2.15 1.99 1ziwA1 GLN 299 HB3 -0.05 -0.01 0.02 -0.04 2.02 1.94 1ziwA1 GLN 299 HG2 -0.03 -0.01 -0.04 -0.04 2.40 2.28 1ziwA1 GLN 299 HG3 -0.01 -0.00 0.01 -0.04 2.39 2.35 1ziwA1 GLN 299 HE21 0.07 -0.02 -0.08 -0.04 6.97 6.90 1ziwA1 GLN 299 HE22 0.03 -0.01 -0.10 -0.04 7.69 7.57 1ziwA1 LEU 300 H -0.23 0.23 -0.36 -0.55 8.37 7.46 1ziwA1 LEU 300 HA -0.18 0.05 0.35 -0.75 4.35 3.81 1ziwA1 LEU 300 HB2 -0.30 0.05 0.01 -0.04 1.64 1.35 1ziwA1 LEU 300 HB3 -0.31 -0.05 -0.06 -0.04 1.64 1.17 1ziwA1 LEU 300 HG -0.26 -0.05 -0.32 -0.04 1.64 0.97 1ziwA1 LEU 300 HD13 -0.23 -0.03 -0.43 -0.04 0.93 0.19 1ziwA1 LEU 300 HD23 -0.87 -0.03 -0.15 -0.04 0.89 -0.20 1ziwA1 GLU 301 H -0.24 0.48 0.43 -0.55 8.60 8.72 1ziwA1 GLU 301 HA -0.30 0.27 0.93 -0.75 4.29 4.44 1ziwA1 GLU 301 HB2 -0.94 0.03 0.19 -0.04 2.09 1.33 1ziwA1 GLU 301 HB3 -1.06 -0.13 0.12 -0.04 1.99 0.88 1ziwA1 GLU 301 HG2 -0.24 0.12 0.03 -0.04 2.34 2.22 1ziwA1 GLU 301 HG3 -0.22 0.28 -0.10 -0.04 2.34 2.25 1ziwA1 TYR 302 H -0.13 0.52 0.36 -0.55 8.29 8.49 1ziwA1 TYR 302 HA 0.04 0.16 1.05 -0.75 4.56 5.06 1ziwA1 TYR 302 HB2 0.08 -0.07 0.25 -0.04 3.06 3.28 1ziwA1 TYR 302 HB3 -0.07 -0.04 0.07 -0.04 2.98 2.90 1ziwA1 TYR 302 HD2 -0.03 -0.01 -0.01 -0.04 7.15 7.07 1ziwA1 TYR 302 HE2 -0.03 0.02 -0.02 -0.04 6.85 6.78 1ziwA1 PHE 303 H 0.05 0.61 0.26 -0.55 8.34 8.71 1ziwA1 PHE 303 HA -0.07 0.22 1.06 -0.75 4.62 5.07 1ziwA1 PHE 303 HB2 -0.17 0.04 -0.18 -0.04 3.15 2.79 1ziwA1 PHE 303 HB3 -0.18 -0.03 0.18 -0.04 3.06 2.98 1ziwA1 PHE 303 HD2 -0.19 0.10 0.01 -0.04 7.28 7.16 1ziwA1 PHE 303 HE2 -0.61 -0.02 -0.15 -0.04 7.38 6.56 1ziwA1 PHE 303 HZ -1.58 -0.02 -0.14 -0.04 7.32 5.53 1ziwA1 PHE 304 H 0.47 0.70 0.38 -0.55 8.34 9.34 1ziwA1 PHE 304 HA 0.01 0.08 1.06 -0.75 4.62 5.01 1ziwA1 PHE 304 HB2 0.10 -0.08 0.34 -0.04 3.15 3.47 1ziwA1 PHE 304 HB3 0.08 -0.03 0.10 -0.04 3.06 3.17 1ziwA1 PHE 304 HD2 0.16 0.05 -0.05 -0.04 7.28 7.39 1ziwA1 PHE 304 HE2 0.05 0.03 -0.08 -0.04 7.38 7.34 1ziwA1 PHE 304 HZ -0.20 0.05 -0.07 -0.04 7.32 7.06 1ziwA1 LEU 305 H -0.18 0.62 0.30 -0.55 8.37 8.56 1ziwA1 LEU 305 HA -0.16 0.11 0.64 -0.75 4.35 4.19 1ziwA1 LEU 305 HB2 -0.44 0.10 -0.01 -0.04 1.64 1.24 1ziwA1 LEU 305 HB3 -0.32 -0.02 0.07 -0.04 1.64 1.33 1ziwA1 LEU 305 HG -1.51 -0.05 -0.31 -0.04 1.64 -0.28 1ziwA1 LEU 305 HD13 -0.55 0.00 -0.13 -0.04 0.93 0.21 1ziwA1 LEU 305 HD23 -0.17 0.00 -0.07 -0.04 0.89 0.61 1ziwA1 GLU 306 H 0.03 -0.07 -0.03 -0.55 8.60 7.98 1ziwA1 GLU 306 HA -0.18 0.16 0.08 -0.75 4.29 3.59 1ziwA1 GLU 306 HB2 -0.09 0.18 0.05 -0.04 2.09 2.19 1ziwA1 GLU 306 HB3 0.03 -0.15 0.02 -0.04 1.99 1.86 1ziwA1 GLU 306 HG2 0.15 -0.02 -0.11 -0.04 2.34 2.32 1ziwA1 GLU 306 HG3 0.30 0.03 -0.05 -0.04 2.34 2.58 1ziwA1 TYR 307 H -0.41 0.54 -0.06 -0.55 8.29 7.80 1ziwA1 TYR 307 HA -0.21 0.28 0.44 -0.75 4.56 4.32 1ziwA1 TYR 307 HB2 -1.19 -0.02 -0.12 -0.04 3.06 1.68 1ziwA1 TYR 307 HB3 -0.71 -0.03 0.19 -0.04 2.98 2.40 1ziwA1 TYR 307 HD2 -0.23 -0.03 -0.12 -0.04 7.15 6.74 1ziwA1 TYR 307 HE2 0.03 -0.02 -0.05 -0.04 6.85 6.78 1ziwA1 ASN 308 H -0.15 0.48 0.31 -0.55 8.53 8.62 1ziwA1 ASN 308 HA -0.02 -0.16 0.73 -0.75 4.76 4.56 1ziwA1 ASN 308 HB2 -0.16 0.14 0.08 -0.04 2.88 2.90 1ziwA1 ASN 308 HB3 -0.08 0.01 0.24 -0.04 2.79 2.92 1ziwA1 ASN 308 HD21 -0.00 0.38 0.01 -0.04 7.03 7.37 1ziwA1 ASN 308 HD22 -0.11 0.42 -0.15 -0.04 7.74 7.86 1ziwA1 ASN 309 H -0.04 0.55 0.04 -0.55 8.53 8.53 1ziwA1 ASN 309 HA -0.00 0.18 0.51 -0.75 4.76 4.70 1ziwA1 ASN 309 HB2 0.02 -0.08 -0.35 -0.04 2.88 2.43 1ziwA1 ASN 309 HB3 0.02 0.07 -0.26 -0.04 2.79 2.58 1ziwA1 ASN 309 HD21 0.04 -0.02 0.01 -0.04 7.03 7.02 1ziwA1 ASN 309 HD22 0.04 0.02 -0.01 -0.04 7.74 7.75 1ziwA1 ILE 310 H -0.12 0.67 0.21 -0.55 8.25 8.46 1ziwA1 ILE 310 HA -0.01 0.15 0.50 -0.75 4.18 4.07 1ziwA1 ILE 310 HB -0.32 -0.01 -0.00 -0.04 1.89 1.51 1ziwA1 ILE 310 HG12 -0.08 -0.07 -0.27 -0.04 1.49 1.03 1ziwA1 ILE 310 HG13 -0.18 0.12 0.05 -0.04 1.21 1.16 1ziwA1 ILE 310 HG23 0.04 -0.04 -0.28 -0.04 0.93 0.62 1ziwA1 ILE 310 HD13 -0.27 -0.03 -0.11 -0.04 0.88 0.43 1ziwA1 GLN 311 H 0.04 0.45 0.43 -0.55 8.47 8.84 1ziwA1 GLN 311 HA 0.08 0.10 0.46 -0.75 4.36 4.25 1ziwA1 GLN 311 HB2 0.06 0.06 0.21 -0.04 2.15 2.45 1ziwA1 GLN 311 HB3 0.09 -0.05 0.18 -0.04 2.02 2.20 1ziwA1 GLN 311 HG2 0.08 -0.07 0.02 -0.04 2.40 2.40 1ziwA1 GLN 311 HG3 0.06 0.07 0.07 -0.04 2.39 2.55 1ziwA1 GLN 311 HE21 0.04 -0.02 0.02 -0.04 6.97 6.98 1ziwA1 GLN 311 HE22 0.06 -0.03 0.06 -0.04 7.69 7.74 1ziwA1 HIS 312 H 0.03 0.17 0.08 -0.55 8.41 8.14 1ziwA1 HIS 312 HA -0.03 0.31 0.97 -0.75 4.63 5.12 1ziwA1 HIS 312 HB2 0.04 0.09 -0.18 -0.04 3.26 3.17 1ziwA1 HIS 312 HB3 -0.07 -0.08 0.12 -0.04 3.20 3.13 1ziwA1 HIS 312 HD2 -0.01 0.21 -0.25 -0.04 6.97 6.87 1ziwA1 HIS 312 HE1 0.16 -0.02 -0.03 -0.04 7.75 7.82 1ziwA1 LEU 313 H 0.11 0.67 0.35 -0.55 8.37 8.96 1ziwA1 LEU 313 HA -0.23 0.07 0.90 -0.75 4.35 4.34 1ziwA1 LEU 313 HB2 0.30 0.05 0.09 -0.04 1.64 2.04 1ziwA1 LEU 313 HB3 0.02 -0.07 0.23 -0.04 1.64 1.77 1ziwA1 LEU 313 HG -0.02 0.08 -0.07 -0.04 1.64 1.58 1ziwA1 LEU 313 HD13 0.04 -0.01 0.01 -0.04 0.93 0.93 1ziwA1 LEU 313 HD23 -0.06 0.01 -0.07 -0.04 0.89 0.72 1ziwA1 PHE 314 H -0.35 0.18 0.22 -0.55 8.34 7.83 1ziwA1 PHE 314 HA -0.07 0.16 0.60 -0.75 4.62 4.57 1ziwA1 PHE 314 HB2 0.01 -0.10 0.07 -0.04 3.15 3.09 1ziwA1 PHE 314 HB3 -0.04 -0.03 0.14 -0.04 3.06 3.09 1ziwA1 PHE 314 HD2 -0.40 0.00 -0.02 -0.04 7.28 6.83 1ziwA1 PHE 314 HE2 -0.28 -0.02 -0.05 -0.04 7.38 6.99 1ziwA1 PHE 314 HZ -0.05 0.01 0.04 -0.04 7.32 7.28 1ziwA1 SER 315 H 0.27 0.17 0.17 -0.55 8.46 8.52 1ziwA1 SER 315 HA 0.20 0.16 0.23 -0.75 4.49 4.32 1ziwA1 SER 315 HB2 0.22 0.11 0.02 -0.04 3.95 4.26 1ziwA1 SER 315 HB3 0.21 0.04 0.08 -0.04 3.93 4.22 1ziwA1 HIS 316 H 0.39 -0.00 -0.31 -0.55 8.41 7.95 1ziwA1 HIS 316 HA 0.11 0.29 0.88 -0.75 4.63 5.15 1ziwA1 HIS 316 HB2 -0.02 -0.02 0.06 -0.04 3.26 3.23 1ziwA1 HIS 316 HB3 -0.25 -0.06 0.18 -0.04 3.20 3.03 1ziwA1 HIS 316 HD2 -0.77 -0.00 0.01 -0.04 6.97 6.17 1ziwA1 HIS 316 HE1 0.24 0.03 -0.07 -0.04 7.75 7.91 1ziwA1 SER 317 H 0.25 0.53 -0.21 -0.55 8.46 8.49 1ziwA1 SER 317 HA 0.11 0.10 0.30 -0.75 4.49 4.24 1ziwA1 SER 317 HB2 0.11 0.15 0.13 -0.04 3.95 4.30 1ziwA1 SER 317 HB3 0.12 0.02 0.00 -0.04 3.93 4.04 1ziwA1 LEU 318 H 0.24 0.20 -0.28 -0.55 8.37 7.99 1ziwA1 LEU 318 HA 0.34 0.19 0.60 -0.75 4.35 4.72 1ziwA1 LEU 318 HB2 0.29 0.23 0.03 -0.04 1.64 2.14 1ziwA1 LEU 318 HB3 0.26 0.00 0.06 -0.04 1.64 1.92 1ziwA1 LEU 318 HG 0.15 -0.11 -0.15 -0.04 1.64 1.49 1ziwA1 LEU 318 HD13 0.11 0.03 -0.10 -0.04 0.93 0.93 1ziwA1 LEU 318 HD23 0.31 0.02 -0.20 -0.04 0.89 0.97 1ziwA1 HIS 319 H -0.13 0.13 -0.54 -0.55 8.41 7.33 1ziwA1 HIS 319 HA -1.14 0.03 0.39 -0.75 4.63 3.15 1ziwA1 HIS 319 HB2 -1.47 -0.04 0.15 -0.04 3.26 1.85 1ziwA1 HIS 319 HB3 -0.55 -0.04 0.10 -0.04 3.20 2.67 1ziwA1 HIS 319 HD2 -0.42 -0.02 -0.12 -0.04 6.97 6.37 1ziwA1 HIS 319 HE1 -0.17 0.03 0.01 -0.04 7.75 7.58 1ziwA1 GLY 320 H -0.91 0.12 0.12 -0.55 8.43 7.21 1ziwA1 GLY 320 HA2 -0.32 0.02 0.36 -0.51 4.01 3.56 1ziwA1 GLY 320 HA3 -0.39 0.15 0.49 -0.51 4.01 3.76 1ziwA1 LEU 321 H -0.10 0.31 -0.36 -0.55 8.37 7.68 1ziwA1 LEU 321 HA -0.30 0.26 0.44 -0.75 4.35 3.99 1ziwA1 LEU 321 HB2 0.06 0.07 0.05 -0.04 1.64 1.78 1ziwA1 LEU 321 HB3 -0.04 -0.07 0.11 -0.04 1.64 1.60 1ziwA1 LEU 321 HG -0.04 0.06 -0.26 -0.04 1.64 1.36 1ziwA1 LEU 321 HD13 0.09 -0.04 -0.07 -0.04 0.93 0.87 1ziwA1 LEU 321 HD23 -0.34 0.03 -0.09 -0.04 0.89 0.45 1ziwA1 PHE 322 H -0.89 0.49 -0.17 -0.55 8.34 7.23 1ziwA1 PHE 322 HA 0.04 0.12 0.25 -0.75 4.62 4.28 1ziwA1 PHE 322 HB2 0.01 -0.02 0.20 -0.04 3.15 3.30 1ziwA1 PHE 322 HB3 0.02 -0.01 0.09 -0.04 3.06 3.13 1ziwA1 PHE 322 HD2 -0.07 -0.07 -0.09 -0.04 7.28 7.00 1ziwA1 PHE 322 HE2 -0.08 -0.02 0.05 -0.04 7.38 7.29 1ziwA1 PHE 322 HZ -0.05 -0.03 0.06 -0.04 7.32 7.26 1ziwA1 ASN 323 H -0.24 0.11 -0.37 -0.55 8.53 7.48 1ziwA1 ASN 323 HA 0.04 0.14 0.88 -0.75 4.76 5.07 1ziwA1 ASN 323 HB2 -0.18 0.25 0.01 -0.04 2.88 2.92 1ziwA1 ASN 323 HB3 -0.10 0.01 -0.12 -0.04 2.79 2.53 1ziwA1 ASN 323 HD21 0.21 -0.13 -0.02 -0.04 7.03 7.04 1ziwA1 ASN 323 HD22 0.00 0.62 0.13 -0.04 7.74 8.45 1ziwA1 VAL 324 H -0.07 0.16 -0.21 -0.55 8.24 7.57 1ziwA1 VAL 324 HA -0.14 0.02 0.40 -0.75 4.13 3.66 1ziwA1 VAL 324 HB 0.01 0.04 0.02 -0.04 2.12 2.14 1ziwA1 VAL 324 HG13 0.02 -0.04 -0.33 -0.04 0.97 0.58 1ziwA1 VAL 324 HG23 -0.12 -0.05 -0.20 -0.04 0.95 0.53 1ziwA1 ARG 325 H -0.15 0.59 0.47 -0.55 8.46 8.82 1ziwA1 ARG 325 HA 0.01 0.34 0.81 -0.75 4.34 4.75 1ziwA1 ARG 325 HB2 -0.09 0.03 0.22 -0.04 1.90 2.01 1ziwA1 ARG 325 HB3 0.04 -0.11 0.14 -0.04 1.80 1.84 1ziwA1 ARG 325 HG2 -0.03 0.13 -0.03 -0.04 1.67 1.70 1ziwA1 ARG 325 HG3 -0.14 0.20 0.09 -0.04 1.67 1.78 1ziwA1 ARG 325 HD2 -0.02 -0.08 0.06 -0.04 3.22 3.13 1ziwA1 ARG 325 HD3 0.01 -0.03 0.05 -0.04 3.22 3.21 1ziwA1 TYR 326 H 0.05 0.45 0.32 -0.55 8.29 8.56 1ziwA1 TYR 326 HA 0.01 0.25 1.02 -0.75 4.56 5.09 1ziwA1 TYR 326 HB2 0.01 0.05 -0.01 -0.04 3.06 3.07 1ziwA1 TYR 326 HB3 0.12 0.00 0.24 -0.04 2.98 3.31 1ziwA1 TYR 326 HD2 -0.47 -0.07 -0.06 -0.04 7.15 6.51 1ziwA1 TYR 326 HE2 -0.83 -0.05 -0.11 -0.04 6.85 5.83 1ziwA1 LEU 327 H -0.48 0.62 0.34 -0.55 8.37 8.30 1ziwA1 LEU 327 HA -0.28 0.25 1.03 -0.75 4.35 4.60 1ziwA1 LEU 327 HB2 -0.05 0.06 -0.16 -0.04 1.64 1.45 1ziwA1 LEU 327 HB3 -0.13 -0.01 0.11 -0.04 1.64 1.57 1ziwA1 LEU 327 HG -0.12 -0.08 -0.29 -0.04 1.64 1.11 1ziwA1 LEU 327 HD13 -0.25 0.03 -0.04 -0.04 0.93 0.62 1ziwA1 LEU 327 HD23 0.13 0.01 -0.11 -0.04 0.89 0.88 1ziwA1 ASN 328 H -0.38 0.67 0.38 -0.55 8.53 8.65 1ziwA1 ASN 328 HA -0.23 0.15 1.23 -0.75 4.76 5.16 1ziwA1 ASN 328 HB2 -0.17 0.07 0.05 -0.04 2.88 2.79 1ziwA1 ASN 328 HB3 0.00 -0.11 0.32 -0.04 2.79 2.97 1ziwA1 ASN 328 HD21 0.21 0.04 0.01 -0.04 7.03 7.24 1ziwA1 ASN 328 HD22 0.42 0.04 0.02 -0.04 7.74 8.17 1ziwA1 LEU 329 H -0.10 0.84 0.29 -0.55 8.37 8.86 1ziwA1 LEU 329 HA -0.18 0.14 0.69 -0.75 4.35 4.24 1ziwA1 LEU 329 HB2 0.04 0.13 0.10 -0.04 1.64 1.86 1ziwA1 LEU 329 HB3 0.04 -0.04 0.12 -0.04 1.64 1.72 1ziwA1 LEU 329 HG -0.06 -0.07 -0.35 -0.04 1.64 1.12 1ziwA1 LEU 329 HD13 0.37 0.01 -0.12 -0.04 0.93 1.14 1ziwA1 LEU 329 HD23 -0.21 0.01 -0.14 -0.04 0.89 0.51 1ziwA1 LYS 330 H -0.08 -0.02 -0.13 -0.55 8.42 7.64 1ziwA1 LYS 330 HA -0.10 0.40 0.31 -0.75 4.32 4.17 1ziwA1 LYS 330 HB2 -0.03 -0.10 0.03 -0.04 1.87 1.73 1ziwA1 LYS 330 HB3 -0.10 -0.11 0.07 -0.04 1.79 1.61 1ziwA1 LYS 330 HG2 -0.39 0.03 -0.29 -0.04 1.46 0.77 1ziwA1 LYS 330 HG3 -0.11 0.12 -0.16 -0.04 1.46 1.27 1ziwA1 LYS 330 HD2 0.04 -0.05 -0.06 -0.04 1.69 1.58 1ziwA1 LYS 330 HD3 0.08 -0.05 -0.06 -0.04 1.68 1.61 1ziwA1 LYS 330 HE2 0.07 0.02 -0.09 -0.04 2.99 2.96 1ziwA1 LYS 330 HE3 0.03 0.03 -0.09 -0.04 2.99 2.91 1ziwA1 ARG 331 H -0.16 0.68 0.28 -0.55 8.46 8.71 1ziwA1 ARG 331 HA -0.15 0.31 0.53 -0.75 4.34 4.29 1ziwA1 ARG 331 HB2 -1.00 -0.09 0.05 -0.04 1.90 0.81 1ziwA1 ARG 331 HB3 -0.31 0.01 0.28 -0.04 1.80 1.74 1ziwA1 ARG 331 HG2 -0.21 0.34 0.20 -0.04 1.67 1.96 1ziwA1 ARG 331 HG3 -0.56 -0.13 -0.11 -0.04 1.67 0.83 1ziwA1 ARG 331 HD2 -0.05 -0.07 0.03 -0.04 3.22 3.09 1ziwA1 ARG 331 HD3 -0.07 0.06 0.06 -0.04 3.22 3.23 1ziwA1 SER 332 H -0.21 0.47 -0.44 -0.55 8.46 7.74 1ziwA1 SER 332 HA -0.27 -0.13 0.55 -0.75 4.49 3.89 1ziwA1 SER 332 HB2 -0.74 0.07 -0.04 -0.04 3.95 3.20 1ziwA1 SER 332 HB3 -0.62 -0.07 -0.06 -0.04 3.93 3.14 1ziwA1 PHE 333 H -0.02 0.08 -0.21 -0.55 8.34 7.64 1ziwA1 PHE 333 HA -0.03 0.07 0.66 -0.75 4.62 4.56 1ziwA1 PHE 333 HB2 -0.05 -0.07 0.01 -0.04 3.15 3.00 1ziwA1 PHE 333 HB3 -0.03 0.14 0.05 -0.04 3.06 3.18 1ziwA1 PHE 333 HD2 -0.05 0.10 -0.08 -0.04 7.28 7.22 1ziwA1 PHE 333 HE2 -0.01 -0.03 -0.07 -0.04 7.38 7.23 1ziwA1 PHE 333 HZ 0.07 -0.03 -0.09 -0.04 7.32 7.23 1ziwA1 THR 334 H 0.15 0.58 -0.08 -0.55 8.28 8.38 1ziwA1 THR 334 HA 0.04 -0.01 0.30 -0.75 4.39 3.97 1ziwA1 THR 334 HB 0.06 0.02 -0.29 -0.04 4.32 4.07 1ziwA1 THR 334 HG23 0.06 0.04 -0.18 -0.04 1.22 1.10 1ziwA1 LYS 335 H 0.04 0.01 0.11 -0.55 8.42 8.02 1ziwA1 LYS 335 HA 0.03 0.13 0.60 -0.75 4.32 4.32 1ziwA1 LYS 335 HB2 0.03 -0.04 0.06 -0.04 1.87 1.89 1ziwA1 LYS 335 HB3 0.03 -0.08 0.10 -0.04 1.79 1.79 1ziwA1 LYS 335 HG2 0.02 0.03 -0.01 -0.04 1.46 1.46 1ziwA1 LYS 335 HG3 0.02 0.06 0.01 -0.04 1.46 1.51 1ziwA1 LYS 335 HD2 0.04 -0.02 0.00 -0.04 1.69 1.66 1ziwA1 LYS 335 HD3 0.03 -0.04 0.00 -0.04 1.68 1.64 1ziwA1 LYS 335 HE2 0.02 0.06 -0.01 -0.04 2.99 3.01 1ziwA1 LYS 335 HE3 0.04 -0.01 0.00 -0.04 2.99 2.99 1ziwA1 GLN 336 H 0.02 0.05 0.05 -0.55 8.47 8.05 1ziwA1 GLN 336 HA 0.02 0.01 0.18 -0.75 4.36 3.81 1ziwA1 GLN 336 HB2 0.02 -0.06 -0.04 -0.04 2.15 2.03 1ziwA1 GLN 336 HB3 0.02 0.13 -0.53 -0.04 2.02 1.59 1ziwA1 GLN 336 HG2 0.02 0.20 0.25 -0.04 2.40 2.83 1ziwA1 GLN 336 HG3 0.01 -0.05 0.14 -0.04 2.39 2.46 1ziwA1 GLN 336 HE21 0.02 -0.07 0.02 -0.04 6.97 6.90 1ziwA1 GLN 336 HE22 0.02 0.13 0.07 -0.04 7.69 7.87 1ziwA1 LEU 343 HA 0.01 0.19 1.66 -0.75 4.35 5.45 1ziwA1 LEU 343 HB2 -0.01 -0.16 -0.20 -0.04 1.64 1.24 1ziwA1 LEU 343 HB3 -0.02 -0.03 -0.01 -0.04 1.64 1.53 1ziwA1 LEU 343 HG -0.00 0.29 0.21 -0.04 1.64 2.09 1ziwA1 LEU 343 HD13 0.01 0.10 -0.07 -0.04 0.93 0.93 1ziwA1 LEU 343 HD23 -0.01 -0.06 0.03 -0.04 0.89 0.82 1ziwA1 PRO 344 HA 0.01 0.31 0.77 -0.51 4.44 5.02 1ziwA1 PRO 344 HB2 -0.13 -0.12 -0.12 -0.04 2.28 1.87 1ziwA1 PRO 344 HB3 0.12 0.02 0.12 -0.04 2.02 2.23 1ziwA1 PRO 344 HG2 -0.08 -0.10 -0.26 -0.04 2.03 1.55 1ziwA1 PRO 344 HG3 0.04 -0.02 -0.12 -0.04 2.03 1.88 1ziwA1 PRO 344 HD2 -0.01 0.28 0.22 -0.04 3.68 4.13 1ziwA1 PRO 344 HD3 0.02 0.29 -0.05 -0.04 3.65 3.87 1ziwA1 LYS 345 H -0.05 0.50 0.40 -0.55 8.42 8.71 1ziwA1 LYS 345 HA -0.14 0.11 0.86 -0.75 4.32 4.39 1ziwA1 LYS 345 HB2 -0.24 0.17 0.02 -0.04 1.87 1.77 1ziwA1 LYS 345 HB3 -0.56 -0.11 0.21 -0.04 1.79 1.28 1ziwA1 LYS 345 HG2 -0.30 -0.08 -0.16 -0.04 1.46 0.88 1ziwA1 LYS 345 HG3 -0.19 0.03 0.02 -0.04 1.46 1.28 1ziwA1 LYS 345 HD2 -0.33 0.09 -0.00 -0.04 1.69 1.40 1ziwA1 LYS 345 HD3 -1.16 -0.07 -0.03 -0.04 1.68 0.39 1ziwA1 LYS 345 HE2 -0.09 -0.05 -0.03 -0.04 2.99 2.78 1ziwA1 LYS 345 HE3 -0.10 0.04 -0.01 -0.04 2.99 2.88 1ziwA1 ILE 346 H -0.13 0.25 0.12 -0.55 8.25 7.94 1ziwA1 ILE 346 HA -0.04 0.10 0.89 -0.75 4.18 4.38 1ziwA1 ILE 346 HB -0.16 -0.04 0.13 -0.04 1.89 1.78 1ziwA1 ILE 346 HG12 -0.50 0.01 -0.10 -0.04 1.49 0.86 1ziwA1 ILE 346 HG13 -0.45 0.01 -0.26 -0.04 1.21 0.47 1ziwA1 ILE 346 HG23 -0.16 0.03 -0.06 -0.04 0.93 0.70 1ziwA1 ILE 346 HD13 -0.53 0.01 -0.06 -0.04 0.88 0.26 1ziwA1 ASP 347 H 0.11 0.53 0.13 -0.55 8.40 8.62 1ziwA1 ASP 347 HA 0.07 -0.01 0.51 -0.75 4.63 4.44 1ziwA1 ASP 347 HB2 0.12 0.01 -0.00 -0.04 2.71 2.80 1ziwA1 ASP 347 HB3 0.13 0.15 0.01 -0.04 2.70 2.94 1ziwA1 ASP 348 H -0.01 0.07 0.17 -0.55 8.40 8.08 1ziwA1 ASP 348 HA -0.21 0.02 0.43 -0.75 4.63 4.11 1ziwA1 ASP 348 HB2 0.01 0.00 0.12 -0.04 2.71 2.81 1ziwA1 ASP 348 HB3 -0.29 0.08 -0.07 -0.04 2.70 2.38 1ziwA1 PHE 349 H -0.44 0.46 0.16 -0.55 8.34 7.97 1ziwA1 PHE 349 HA -0.15 0.13 0.37 -0.75 4.62 4.21 1ziwA1 PHE 349 HB2 -0.14 0.16 -0.04 -0.04 3.15 3.08 1ziwA1 PHE 349 HB3 -0.31 -0.01 0.17 -0.04 3.06 2.87 1ziwA1 PHE 349 HD2 -0.11 0.05 -0.16 -0.04 7.28 7.02 1ziwA1 PHE 349 HE2 -0.06 0.00 -0.03 -0.04 7.38 7.25 1ziwA1 PHE 349 HZ -0.05 0.01 -0.03 -0.04 7.32 7.21 1ziwA1 SER 350 H -0.14 0.30 -0.35 -0.55 8.46 7.72 1ziwA1 SER 350 HA -0.02 0.12 0.34 -0.75 4.49 4.18 1ziwA1 SER 350 HB2 -0.52 0.03 -0.03 -0.04 3.95 3.39 1ziwA1 SER 350 HB3 -0.35 -0.08 -0.05 -0.04 3.93 3.41 1ziwA1 PHE 351 H -0.05 0.15 -0.37 -0.55 8.34 7.52 1ziwA1 PHE 351 HA 0.11 0.16 0.77 -0.75 4.62 4.91 1ziwA1 PHE 351 HB2 0.03 0.11 -0.06 -0.04 3.15 3.20 1ziwA1 PHE 351 HB3 0.09 0.02 0.03 -0.04 3.06 3.16 1ziwA1 PHE 351 HD2 -0.01 0.20 -0.02 -0.04 7.28 7.40 1ziwA1 PHE 351 HE2 -0.02 -0.02 -0.11 -0.04 7.38 7.19 1ziwA1 PHE 351 HZ 0.12 -0.01 -0.10 -0.04 7.32 7.29 1ziwA1 GLN 352 H -0.21 0.35 -0.31 -0.55 8.47 7.74 1ziwA1 GLN 352 HA -0.05 0.24 0.30 -0.75 4.36 4.09 1ziwA1 GLN 352 HB2 -0.29 -0.06 -0.00 -0.04 2.15 1.76 1ziwA1 GLN 352 HB3 -0.17 -0.04 0.08 -0.04 2.02 1.84 1ziwA1 GLN 352 HG2 -1.50 0.24 0.07 -0.04 2.40 1.16 1ziwA1 GLN 352 HG3 -1.91 -0.03 -0.32 -0.04 2.39 0.09 1ziwA1 GLN 352 HE21 -0.45 -0.08 -0.02 -0.04 6.97 6.38 1ziwA1 GLN 352 HE22 -1.74 0.07 0.00 -0.04 7.69 5.98 1ziwA1 TRP 353 H -0.08 0.08 -0.51 -0.55 7.97 6.91 1ziwA1 TRP 353 HA 0.04 0.12 0.55 -0.75 4.62 4.58 1ziwA1 TRP 353 HB2 0.02 0.10 -0.17 -0.04 3.23 3.14 1ziwA1 TRP 353 HB3 -0.02 -0.12 -0.03 -0.04 3.23 3.03 1ziwA1 TRP 353 HD1 -0.03 0.07 0.01 -0.04 7.22 7.23 1ziwA1 TRP 353 HE1 0.09 0.02 -0.02 -0.04 10.20 10.24 1ziwA1 TRP 353 HE3 0.00 0.05 -0.27 -0.04 7.59 7.33 1ziwA1 TRP 353 HZ2 -0.40 -0.03 -0.02 -0.04 7.44 6.95 1ziwA1 TRP 353 HZ3 -0.11 0.53 0.44 -0.04 7.13 7.95 1ziwA1 TRP 353 HH2 -1.22 -0.13 -0.15 -0.04 7.19 5.64 1ziwA1 LEU 354 H 0.20 0.53 -0.42 -0.55 8.37 8.14 1ziwA1 LEU 354 HA 0.17 0.21 0.29 -0.75 4.35 4.26 1ziwA1 LEU 354 HB2 0.21 0.12 0.12 -0.04 1.64 2.05 1ziwA1 LEU 354 HB3 0.13 -0.04 0.08 -0.04 1.64 1.77 1ziwA1 LEU 354 HG 0.20 0.06 -0.19 -0.04 1.64 1.67 1ziwA1 LEU 354 HD13 0.36 -0.05 -0.04 -0.04 0.93 1.16 1ziwA1 LEU 354 HD23 0.15 -0.01 -0.06 -0.04 0.89 0.93 1ziwA1 LYS 355 H 0.17 0.46 0.19 -0.55 8.42 8.69 1ziwA1 LYS 355 HA 0.07 0.09 0.29 -0.75 4.32 4.02 1ziwA1 LYS 355 HB2 0.11 0.10 0.15 -0.04 1.87 2.19 1ziwA1 LYS 355 HB3 0.05 -0.04 0.06 -0.04 1.79 1.82 1ziwA1 LYS 355 HG2 0.13 0.08 0.07 -0.04 1.46 1.70 1ziwA1 LYS 355 HG3 0.04 -0.07 0.07 -0.04 1.46 1.46 1ziwA1 LYS 355 HD2 0.03 -0.08 0.09 -0.04 1.69 1.69 1ziwA1 LYS 355 HD3 0.06 0.15 0.03 -0.04 1.68 1.88 1ziwA1 LYS 355 HE2 0.04 0.02 0.09 -0.04 2.99 3.11 1ziwA1 LYS 355 HE3 0.02 -0.12 0.05 -0.04 2.99 2.90 1ziwA1 CYS 356 H 0.09 0.13 -0.26 -0.55 8.50 7.91 1ziwA1 CYS 356 HA 0.03 0.13 0.79 -0.75 4.58 4.79 1ziwA1 CYS 356 HB2 0.04 -0.00 -0.28 -0.04 2.97 2.68 1ziwA1 CYS 356 HB3 0.01 -0.05 -0.05 -0.04 2.97 2.84 1ziwA1 LEU 357 H 0.05 0.24 -0.36 -0.55 8.37 7.76 1ziwA1 LEU 357 HA 0.03 0.03 0.30 -0.75 4.35 3.95 1ziwA1 LEU 357 HB2 0.06 -0.02 -0.02 -0.04 1.64 1.62 1ziwA1 LEU 357 HB3 0.04 0.05 0.04 -0.04 1.64 1.73 1ziwA1 LEU 357 HG -0.01 -0.07 -0.43 -0.04 1.64 1.08 1ziwA1 LEU 357 HD13 -0.02 0.01 -0.35 -0.04 0.93 0.53 1ziwA1 LEU 357 HD23 -0.02 -0.03 -0.11 -0.04 0.89 0.70 1ziwA1 GLU 358 H 0.05 0.53 0.42 -0.55 8.60 9.05 1ziwA1 GLU 358 HA 0.01 0.33 0.99 -0.75 4.29 4.88 1ziwA1 GLU 358 HB2 0.08 -0.00 0.19 -0.04 2.09 2.32 1ziwA1 GLU 358 HB3 0.04 -0.12 0.19 -0.04 1.99 2.06 1ziwA1 GLU 358 HG2 0.01 0.15 0.03 -0.04 2.34 2.48 1ziwA1 GLU 358 HG3 0.03 0.31 0.07 -0.04 2.34 2.71 1ziwA1 HIS 359 H 0.11 0.39 0.22 -0.55 8.41 8.58 1ziwA1 HIS 359 HA 0.13 0.16 0.99 -0.75 4.63 5.16 1ziwA1 HIS 359 HB2 0.03 0.06 -0.09 -0.04 3.26 3.23 1ziwA1 HIS 359 HB3 0.14 0.00 0.24 -0.04 3.20 3.53 1ziwA1 HIS 359 HD2 -0.14 -0.07 -0.38 -0.04 6.97 6.33 1ziwA1 HIS 359 HE1 -0.74 -0.00 -0.05 -0.04 7.75 6.91 1ziwA1 LEU 360 H 0.00 0.71 0.27 -0.55 8.37 8.81 1ziwA1 LEU 360 HA -0.10 0.25 1.05 -0.75 4.35 4.78 1ziwA1 LEU 360 HB2 -0.12 0.05 -0.08 -0.04 1.64 1.45 1ziwA1 LEU 360 HB3 -0.15 0.02 0.17 -0.04 1.64 1.63 1ziwA1 LEU 360 HG -0.14 -0.08 -0.27 -0.04 1.64 1.11 1ziwA1 LEU 360 HD13 -0.15 0.03 -0.07 -0.04 0.93 0.69 1ziwA1 LEU 360 HD23 -0.41 0.01 -0.11 -0.04 0.89 0.34 1ziwA1 ASN 361 H -0.10 0.59 0.31 -0.55 8.53 8.78 1ziwA1 ASN 361 HA 0.06 0.05 0.96 -0.75 4.76 5.07 1ziwA1 ASN 361 HB2 0.16 0.07 0.08 -0.04 2.88 3.15 1ziwA1 ASN 361 HB3 -0.03 -0.09 0.35 -0.04 2.79 2.98 1ziwA1 ASN 361 HD21 0.11 0.04 -0.00 -0.04 7.03 7.14 1ziwA1 ASN 361 HD22 0.16 0.04 0.03 -0.04 7.74 7.92 1ziwA1 MET 362 H -0.03 0.70 0.18 -0.55 8.47 8.78 1ziwA1 MET 362 HA 0.01 0.13 0.74 -0.75 4.52 4.65 1ziwA1 MET 362 HB2 -0.03 0.08 0.04 -0.04 2.15 2.20 1ziwA1 MET 362 HB3 0.02 0.02 0.11 -0.04 2.03 2.14 1ziwA1 MET 362 HG2 0.03 0.01 -0.24 -0.04 2.63 2.39 1ziwA1 MET 362 HG3 -0.03 -0.03 -0.31 -0.04 2.56 2.15 1ziwA1 MET 362 HE3 0.33 0.01 -0.13 -0.04 2.10 2.26 1ziwA1 GLU 363 H -0.02 -0.09 -0.18 -0.55 8.60 7.76 1ziwA1 GLU 363 HA -0.06 0.18 0.01 -0.75 4.29 3.66 1ziwA1 GLU 363 HB2 -0.01 0.19 0.06 -0.04 2.09 2.29 1ziwA1 GLU 363 HB3 -0.00 -0.18 0.01 -0.04 1.99 1.77 1ziwA1 GLU 363 HG2 -0.01 -0.14 -0.04 -0.04 2.34 2.10 1ziwA1 GLU 363 HG3 -0.01 0.08 -0.20 -0.04 2.34 2.16 1ziwA1 ASP 364 H -0.05 0.55 0.05 -0.55 8.40 8.39 1ziwA1 ASP 364 HA -0.04 0.28 0.49 -0.75 4.63 4.60 1ziwA1 ASP 364 HB2 -0.10 -0.07 0.03 -0.04 2.71 2.54 1ziwA1 ASP 364 HB3 -0.05 0.01 0.14 -0.04 2.70 2.76 1ziwA1 ASN 365 H -0.08 0.65 0.40 -0.55 8.53 8.96 1ziwA1 ASN 365 HA -0.00 0.09 0.65 -0.75 4.76 4.74 1ziwA1 ASN 365 HB2 -0.10 0.10 0.00 -0.04 2.88 2.84 1ziwA1 ASN 365 HB3 -0.00 -0.10 0.08 -0.04 2.79 2.72 1ziwA1 ASN 365 HD21 0.06 0.19 0.04 -0.04 7.03 7.28 1ziwA1 ASN 365 HD22 0.02 0.41 -0.25 -0.04 7.74 7.88 1ziwA1 ASP 366 H 0.01 0.21 -0.01 -0.55 8.40 8.06 1ziwA1 ASP 366 HA 0.00 0.16 0.55 -0.75 4.63 4.59 1ziwA1 ASP 366 HB2 0.02 0.17 0.09 -0.04 2.71 2.95 1ziwA1 ASP 366 HB3 0.01 0.04 0.18 -0.04 2.70 2.89 1ziwA1 ILE 367 H -0.11 0.49 -0.10 -0.55 8.25 7.98 1ziwA1 ILE 367 HA -0.08 0.17 0.49 -0.75 4.18 4.01 1ziwA1 ILE 367 HB -0.13 0.07 0.05 -0.04 1.89 1.84 1ziwA1 ILE 367 HG12 -0.46 -0.04 -0.05 -0.04 1.49 0.90 1ziwA1 ILE 367 HG13 -0.23 -0.08 0.01 -0.04 1.21 0.87 1ziwA1 ILE 367 HG23 0.03 -0.04 -0.00 -0.04 0.93 0.87 1ziwA1 ILE 367 HD13 -0.29 0.00 -0.02 -0.04 0.88 0.53 1ziwA1 PRO 368 HA 0.03 0.02 0.49 -0.51 4.44 4.47 1ziwA1 PRO 368 HB2 -0.03 -0.08 0.10 -0.04 2.28 2.22 1ziwA1 PRO 368 HB3 -0.02 0.00 0.13 -0.04 2.02 2.09 1ziwA1 PRO 368 HG2 -0.05 -0.07 0.16 -0.04 2.03 2.03 1ziwA1 PRO 368 HG3 -0.03 0.12 0.14 -0.04 2.03 2.21 1ziwA1 PRO 368 HD2 -0.05 -0.05 0.27 -0.04 3.68 3.82 1ziwA1 PRO 368 HD3 -0.04 0.42 0.34 -0.04 3.65 4.33 1ziwA1 GLY 369 H 0.03 0.28 -0.02 -0.55 8.43 8.17 1ziwA1 GLY 369 HA2 -0.37 0.15 0.46 -0.51 4.01 3.75 1ziwA1 GLY 369 HA3 -0.18 -0.01 0.26 -0.51 4.01 3.57 1ziwA1 ILE 370 H -0.33 0.19 0.12 -0.55 8.25 7.69 1ziwA1 ILE 370 HA -0.11 0.12 0.87 -0.75 4.18 4.31 1ziwA1 ILE 370 HB -0.33 0.00 0.20 -0.04 1.89 1.72 1ziwA1 ILE 370 HG12 0.03 0.05 -0.16 -0.04 1.49 1.38 1ziwA1 ILE 370 HG13 -0.76 -0.07 -0.11 -0.04 1.21 0.22 1ziwA1 ILE 370 HG23 -0.01 0.03 -0.04 -0.04 0.93 0.87 1ziwA1 ILE 370 HD13 -0.03 -0.00 -0.09 -0.04 0.88 0.72 1ziwA1 LYS 371 H -0.17 0.14 0.14 -0.55 8.42 7.98 1ziwA1 LYS 371 HA -0.15 0.16 0.56 -0.75 4.32 4.14 1ziwA1 LYS 371 HB2 -0.18 -0.01 0.08 -0.04 1.87 1.71 1ziwA1 LYS 371 HB3 -0.16 -0.12 0.12 -0.04 1.79 1.59 1ziwA1 LYS 371 HG2 -0.10 0.02 0.04 -0.04 1.46 1.38 1ziwA1 LYS 371 HG3 -0.11 0.04 -0.04 -0.04 1.46 1.31 1ziwA1 LYS 371 HD2 -0.12 0.14 0.03 -0.04 1.69 1.71 1ziwA1 LYS 371 HD3 -0.10 -0.15 0.05 -0.04 1.68 1.44 1ziwA1 LYS 371 HE2 -0.07 -0.03 0.03 -0.04 2.99 2.89 1ziwA1 LYS 371 HE3 -0.08 0.03 0.04 -0.04 2.99 2.94 1ziwA1 SER 372 H -0.16 0.16 0.18 -0.55 8.46 8.09 1ziwA1 SER 372 HA -0.20 0.17 0.27 -0.75 4.49 3.97 1ziwA1 SER 372 HB2 -0.16 0.05 0.11 -0.04 3.95 3.92 1ziwA1 SER 372 HB3 -0.13 0.03 0.14 -0.04 3.93 3.93 1ziwA1 ASN 373 H -0.29 0.00 -0.33 -0.55 8.53 7.36 1ziwA1 ASN 373 HA -0.32 0.25 0.85 -0.75 4.76 4.78 1ziwA1 ASN 373 HB2 -0.93 -0.04 0.06 -0.04 2.88 1.93 1ziwA1 ASN 373 HB3 -1.43 -0.01 0.23 -0.04 2.79 1.54 1ziwA1 ASN 373 HD21 -0.04 0.08 -0.10 -0.04 7.03 6.92 1ziwA1 ASN 373 HD22 -0.23 -0.07 -0.11 -0.04 7.74 7.29 1ziwA1 MET 374 H -0.27 0.56 -0.13 -0.55 8.47 8.08 1ziwA1 MET 374 HA -0.30 0.01 0.37 -0.75 4.52 3.85 1ziwA1 MET 374 HB2 -0.33 -0.15 0.17 -0.04 2.15 1.81 1ziwA1 MET 374 HB3 -0.59 0.05 0.09 -0.04 2.03 1.54 1ziwA1 MET 374 HG2 -1.72 0.05 -0.27 -0.04 2.63 0.65 1ziwA1 MET 374 HG3 -0.36 -0.00 0.01 -0.04 2.56 2.17 1ziwA1 MET 374 HE3 -0.01 0.01 -0.07 -0.04 2.10 2.00 1ziwA1 PHE 375 H -0.08 0.06 -0.22 -0.55 8.34 7.55 1ziwA1 PHE 375 HA 0.09 0.23 0.75 -0.75 4.62 4.94 1ziwA1 PHE 375 HB2 -0.02 0.03 -0.28 -0.04 3.15 2.84 1ziwA1 PHE 375 HB3 -0.03 0.07 0.03 -0.04 3.06 3.08 1ziwA1 PHE 375 HD2 -0.11 0.01 -0.15 -0.04 7.28 6.99 1ziwA1 PHE 375 HE2 -0.04 0.01 -0.13 -0.04 7.38 7.18 1ziwA1 PHE 375 HZ 0.11 0.02 -0.13 -0.04 7.32 7.28 1ziwA1 THR 376 H -0.09 0.03 -0.48 -0.55 8.28 7.19 1ziwA1 THR 376 HA 0.06 0.11 0.40 -0.75 4.39 4.21 1ziwA1 THR 376 HB -0.16 -0.01 0.12 -0.04 4.32 4.23 1ziwA1 THR 376 HG23 0.18 0.01 -0.04 -0.04 1.22 1.33 1ziwA1 GLY 377 H 0.09 0.14 0.12 -0.55 8.43 8.23 1ziwA1 GLY 377 HA2 0.03 -0.00 0.31 -0.51 4.01 3.84 1ziwA1 GLY 377 HA3 0.01 0.14 0.58 -0.51 4.01 4.22 1ziwA1 LEU 378 H 0.09 0.35 -0.23 -0.55 8.37 8.03 1ziwA1 LEU 378 HA 0.07 0.23 0.46 -0.75 4.35 4.35 1ziwA1 LEU 378 HB2 0.08 0.07 0.15 -0.04 1.64 1.89 1ziwA1 LEU 378 HB3 0.03 -0.05 0.09 -0.04 1.64 1.67 1ziwA1 LEU 378 HG 0.16 0.04 -0.32 -0.04 1.64 1.48 1ziwA1 LEU 378 HD13 0.08 -0.05 -0.06 -0.04 0.93 0.85 1ziwA1 LEU 378 HD23 0.12 0.01 -0.08 -0.04 0.89 0.90 1ziwA1 ILE 379 H 0.05 0.47 0.09 -0.55 8.25 8.31 1ziwA1 ILE 379 HA 0.06 0.25 0.31 -0.75 4.18 4.05 1ziwA1 ILE 379 HB 0.03 -0.01 0.17 -0.04 1.89 2.04 1ziwA1 ILE 379 HG12 0.04 0.11 0.17 -0.04 1.49 1.76 1ziwA1 ILE 379 HG13 0.03 0.21 0.01 -0.04 1.21 1.41 1ziwA1 ILE 379 HG23 0.05 -0.01 -0.05 -0.04 0.93 0.87 1ziwA1 ILE 379 HD13 0.01 -0.04 0.04 -0.04 0.88 0.85 1ziwA1 ASN 380 H 0.02 0.08 -0.37 -0.55 8.53 7.72 1ziwA1 ASN 380 HA -0.02 0.18 0.92 -0.75 4.76 5.09 1ziwA1 ASN 380 HB2 0.02 0.08 -0.15 -0.04 2.88 2.79 1ziwA1 ASN 380 HB3 0.00 -0.05 -0.02 -0.04 2.79 2.68 1ziwA1 ASN 380 HD21 0.01 -0.14 -0.02 -0.04 7.03 6.84 1ziwA1 ASN 380 HD22 0.03 0.74 0.23 -0.04 7.74 8.69 1ziwA1 LEU 381 H -0.01 0.24 -0.12 -0.55 8.37 7.93 1ziwA1 LEU 381 HA -0.03 0.09 0.37 -0.75 4.35 4.03 1ziwA1 LEU 381 HB2 -0.03 0.01 0.02 -0.04 1.64 1.60 1ziwA1 LEU 381 HB3 -0.06 -0.01 0.05 -0.04 1.64 1.58 1ziwA1 LEU 381 HG -0.12 -0.07 -0.43 -0.04 1.64 0.98 1ziwA1 LEU 381 HD13 -0.07 -0.01 -0.30 -0.04 0.93 0.51 1ziwA1 LEU 381 HD23 -0.22 -0.03 -0.12 -0.04 0.89 0.48 1ziwA1 LYS 382 H -0.03 0.50 0.46 -0.55 8.42 8.80 1ziwA1 LYS 382 HA -0.23 0.27 0.85 -0.75 4.32 4.46 1ziwA1 LYS 382 HB2 -0.04 0.05 0.21 -0.04 1.87 2.05 1ziwA1 LYS 382 HB3 -0.16 -0.14 0.11 -0.04 1.79 1.56 1ziwA1 LYS 382 HG2 -0.60 0.15 0.03 -0.04 1.46 0.99 1ziwA1 LYS 382 HG3 -0.18 0.16 -0.30 -0.04 1.46 1.10 1ziwA1 LYS 382 HD2 -0.05 -0.02 0.06 -0.04 1.69 1.64 1ziwA1 LYS 382 HD3 -0.09 -0.09 0.04 -0.04 1.68 1.49 1ziwA1 LYS 382 HE2 -0.02 -0.08 0.03 -0.04 2.99 2.87 1ziwA1 LYS 382 HE3 -0.12 0.00 0.00 -0.04 2.99 2.84 1ziwA1 TYR 383 H 0.03 0.56 0.40 -0.55 8.29 8.73 1ziwA1 TYR 383 HA -0.13 0.15 1.11 -0.75 4.56 4.94 1ziwA1 TYR 383 HB2 -0.11 0.05 0.01 -0.04 3.06 2.97 1ziwA1 TYR 383 HB3 -0.27 0.01 0.27 -0.04 2.98 2.95 1ziwA1 TYR 383 HD2 -0.43 -0.04 -0.16 -0.04 7.15 6.48 1ziwA1 TYR 383 HE2 -0.15 -0.04 -0.10 -0.04 6.85 6.52 1ziwA1 LEU 384 H -0.59 0.63 0.25 -0.55 8.37 8.11 1ziwA1 LEU 384 HA -0.27 0.27 0.94 -0.75 4.35 4.54 1ziwA1 LEU 384 HB2 -0.32 0.06 -0.15 -0.04 1.64 1.19 1ziwA1 LEU 384 HB3 -0.32 0.01 0.13 -0.04 1.64 1.42 1ziwA1 LEU 384 HG -0.26 -0.10 -0.32 -0.04 1.64 0.92 1ziwA1 LEU 384 HD13 -0.26 0.04 -0.06 -0.04 0.93 0.61 1ziwA1 LEU 384 HD23 -0.78 0.00 -0.12 -0.04 0.89 -0.05 1ziwA1 SER 385 H -0.19 0.63 0.35 -0.55 8.46 8.70 1ziwA1 SER 385 HA -0.24 0.10 1.22 -0.75 4.49 4.82 1ziwA1 SER 385 HB2 -0.04 0.07 0.10 -0.04 3.95 4.03 1ziwA1 SER 385 HB3 0.04 -0.11 0.27 -0.04 3.93 4.09 1ziwA1 LEU 386 H -0.06 0.75 0.25 -0.55 8.37 8.77 1ziwA1 LEU 386 HA -0.06 0.17 0.64 -0.75 4.35 4.35 1ziwA1 LEU 386 HB2 0.16 0.15 0.07 -0.04 1.64 1.97 1ziwA1 LEU 386 HB3 0.28 -0.04 0.09 -0.04 1.64 1.92 1ziwA1 LEU 386 HG -0.01 -0.05 -0.34 -0.04 1.64 1.19 1ziwA1 LEU 386 HD13 0.41 -0.00 -0.13 -0.04 0.93 1.18 1ziwA1 LEU 386 HD23 0.15 0.03 -0.17 -0.04 0.89 0.86 1ziwA1 SER 387 H -0.02 -0.05 -0.19 -0.55 8.46 7.64 1ziwA1 SER 387 HA 0.03 0.27 0.33 -0.75 4.49 4.37 1ziwA1 SER 387 HB2 0.00 -0.10 0.02 -0.04 3.95 3.83 1ziwA1 SER 387 HB3 0.00 -0.08 0.06 -0.04 3.93 3.88 1ziwA1 ASN 388 H 0.05 0.61 0.15 -0.55 8.53 8.80 1ziwA1 ASN 388 HA 0.03 0.33 0.46 -0.75 4.76 4.83 1ziwA1 ASN 388 HB2 0.02 -0.02 0.00 -0.04 2.88 2.84 1ziwA1 ASN 388 HB3 -0.00 -0.08 -0.04 -0.04 2.79 2.62 1ziwA1 ASN 388 HD21 0.01 0.01 0.06 -0.04 7.03 7.06 1ziwA1 ASN 388 HD22 0.00 -0.08 0.07 -0.04 7.74 7.69 1ziwA1 SER 389 H -0.11 0.30 -0.21 -0.55 8.46 7.90 1ziwA1 SER 389 HA -0.23 -0.02 0.47 -0.75 4.49 3.96 1ziwA1 SER 389 HB2 -0.85 0.05 -0.06 -0.04 3.95 3.05 1ziwA1 SER 389 HB3 -0.85 -0.06 -0.06 -0.04 3.93 2.92 1ziwA1 PHE 390 H -0.01 0.09 -0.10 -0.55 8.34 7.77 1ziwA1 PHE 390 HA -0.01 0.27 0.78 -0.75 4.62 4.90 1ziwA1 PHE 390 HB2 0.02 -0.12 -0.23 -0.04 3.15 2.77 1ziwA1 PHE 390 HB3 -0.01 0.24 -0.16 -0.04 3.06 3.08 1ziwA1 PHE 390 HD2 0.01 0.08 -0.24 -0.04 7.28 7.09 1ziwA1 PHE 390 HE2 0.06 0.02 -0.17 -0.04 7.38 7.24 1ziwA1 PHE 390 HZ 0.17 -0.04 -0.16 -0.04 7.32 7.26 1ziwA1 THR 391 H 0.13 0.45 -0.03 -0.55 8.28 8.28 1ziwA1 THR 391 HA 0.05 0.04 0.53 -0.75 4.39 4.26 1ziwA1 THR 391 HB 0.03 -0.07 0.03 -0.04 4.32 4.28 1ziwA1 THR 391 HG23 0.03 0.01 0.01 -0.04 1.22 1.22 1ziwA1 SER 392 H 0.07 0.33 0.12 -0.55 8.46 8.43 1ziwA1 SER 392 HA 0.11 0.16 -0.32 -0.75 4.49 3.69 1ziwA1 SER 392 HB2 0.03 -0.09 -0.01 -0.04 3.95 3.83 1ziwA1 SER 392 HB3 0.04 0.15 0.22 -0.04 3.93 4.31 1ziwA1 LEU 393 H 0.03 0.56 -0.15 -0.55 8.37 8.27 1ziwA1 LEU 393 HA -0.16 0.11 0.77 -0.75 4.35 4.31 1ziwA1 LEU 393 HB2 -0.16 0.02 -0.14 -0.04 1.64 1.33 1ziwA1 LEU 393 HB3 -0.02 -0.00 0.15 -0.04 1.64 1.73 1ziwA1 LEU 393 HG -0.20 -0.03 -0.03 -0.04 1.64 1.34 1ziwA1 LEU 393 HD13 -0.63 0.01 0.06 -0.04 0.93 0.33 1ziwA1 LEU 393 HD23 -0.16 0.00 -0.05 -0.04 0.89 0.64 1ziwA1 ARG 394 H -0.05 0.21 -0.08 -0.55 8.46 7.99 1ziwA1 ARG 394 HA -0.01 0.18 0.38 -0.75 4.34 4.14 1ziwA1 ARG 394 HB2 -0.01 0.08 0.11 -0.04 1.90 2.04 1ziwA1 ARG 394 HB3 -0.03 -0.02 0.14 -0.04 1.80 1.84 1ziwA1 ARG 394 HG2 -0.03 -0.04 -0.11 -0.04 1.67 1.45 1ziwA1 ARG 394 HG3 -0.01 -0.00 0.13 -0.04 1.67 1.74 1ziwA1 ARG 394 HD2 -0.01 0.05 0.03 -0.04 3.22 3.25 1ziwA1 ARG 394 HD3 -0.02 -0.01 0.01 -0.04 3.22 3.16 1ziwA1 THR 395 H -0.07 0.15 -0.16 -0.55 8.28 7.64 1ziwA1 THR 395 HA -0.05 0.30 1.04 -0.75 4.39 4.92 1ziwA1 THR 395 HB -0.07 -0.04 0.05 -0.04 4.32 4.22 1ziwA1 THR 395 HG23 -0.07 -0.02 -0.23 -0.04 1.22 0.86 1ziwA1 LEU 396 H -0.06 0.67 0.37 -0.55 8.37 8.80 1ziwA1 LEU 396 HA -0.16 0.07 0.89 -0.75 4.35 4.40 1ziwA1 LEU 396 HB2 -0.09 -0.10 0.34 -0.04 1.64 1.75 1ziwA1 LEU 396 HB3 -0.08 0.06 0.12 -0.04 1.64 1.70 1ziwA1 LEU 396 HG 0.06 0.06 0.04 -0.04 1.64 1.76 1ziwA1 LEU 396 HD13 0.36 0.00 -0.03 -0.04 0.93 1.22 1ziwA1 LEU 396 HD23 0.05 0.01 -0.10 -0.04 0.89 0.81 1ziwA1 THR 397 H -0.17 0.13 0.18 -0.55 8.28 7.86 1ziwA1 THR 397 HA -0.10 0.18 0.69 -0.75 4.39 4.41 1ziwA1 THR 397 HB -0.06 0.01 0.15 -0.04 4.32 4.38 1ziwA1 THR 397 HG23 -0.09 0.07 -0.06 -0.04 1.22 1.10 1ziwA1 ASN 398 H -0.04 0.16 0.09 -0.55 8.53 8.19 1ziwA1 ASN 398 HA 0.03 0.29 0.36 -0.75 4.76 4.68 1ziwA1 ASN 398 HB2 -0.01 0.06 0.11 -0.04 2.88 3.00 1ziwA1 ASN 398 HB3 -0.05 0.16 0.04 -0.04 2.79 2.91 1ziwA1 ASN 398 HD21 0.01 -0.01 -0.03 -0.04 7.03 6.96 1ziwA1 ASN 398 HD22 -0.02 0.03 -0.02 -0.04 7.74 7.69 1ziwA1 GLU 399 H 0.01 -0.10 -0.46 -0.55 8.60 7.50 1ziwA1 GLU 399 HA 0.15 0.27 0.90 -0.75 4.29 4.85 1ziwA1 GLU 399 HB2 -0.05 -0.02 -0.01 -0.04 2.09 1.97 1ziwA1 GLU 399 HB3 -0.09 0.01 0.08 -0.04 1.99 1.95 1ziwA1 GLU 399 HG2 0.06 -0.10 -0.29 -0.04 2.34 1.98 1ziwA1 GLU 399 HG3 -0.00 0.01 -0.05 -0.04 2.34 2.26 1ziwA1 THR 400 H -0.12 0.16 -0.06 -0.55 8.28 7.72 1ziwA1 THR 400 HA -0.33 0.09 0.31 -0.75 4.39 3.71 1ziwA1 THR 400 HB -0.67 0.13 0.20 -0.04 4.32 3.94 1ziwA1 THR 400 HG23 -0.92 0.01 0.02 -0.04 1.22 0.29 1ziwA1 PHE 401 H 0.03 0.22 -0.24 -0.55 8.34 7.79 1ziwA1 PHE 401 HA 0.01 0.15 0.65 -0.75 4.62 4.68 1ziwA1 PHE 401 HB2 0.30 0.14 0.03 -0.04 3.15 3.58 1ziwA1 PHE 401 HB3 0.15 -0.01 0.06 -0.04 3.06 3.22 1ziwA1 PHE 401 HD2 0.02 0.19 -0.04 -0.04 7.28 7.42 1ziwA1 PHE 401 HE2 0.03 -0.01 -0.08 -0.04 7.38 7.27 1ziwA1 PHE 401 HZ 0.12 0.01 -0.08 -0.04 7.32 7.33 1ziwA1 VAL 402 H -0.42 0.47 -0.40 -0.55 8.24 7.34 1ziwA1 VAL 402 HA -2.27 0.06 0.26 -0.75 4.13 1.44 1ziwA1 VAL 402 HB -0.94 0.02 0.15 -0.04 2.12 1.30 1ziwA1 VAL 402 HG13 -0.36 0.07 0.07 -0.04 0.97 0.71 1ziwA1 VAL 402 HG23 -1.27 -0.01 0.03 -0.04 0.95 -0.34 1ziwA1 SER 403 H -0.20 0.17 -0.29 -0.55 8.46 7.59 1ziwA1 SER 403 HA -0.16 0.12 0.33 -0.75 4.49 4.02 1ziwA1 SER 403 HB2 -0.07 -0.17 -0.06 -0.04 3.95 3.61 1ziwA1 SER 403 HB3 -0.17 0.24 -0.16 -0.04 3.93 3.80 1ziwA1 LEU 404 H -0.03 0.51 -0.60 -0.55 8.37 7.71 1ziwA1 LEU 404 HA 0.05 0.16 0.70 -0.75 4.35 4.51 1ziwA1 LEU 404 HB2 0.13 0.17 -0.01 -0.04 1.64 1.89 1ziwA1 LEU 404 HB3 0.03 0.04 0.05 -0.04 1.64 1.71 1ziwA1 LEU 404 HG 0.13 -0.16 -0.22 -0.04 1.64 1.35 1ziwA1 LEU 404 HD13 -0.04 -0.01 -0.09 -0.04 0.93 0.75 1ziwA1 LEU 404 HD23 -0.31 0.03 -0.07 -0.04 0.89 0.49 1ziwA1 ALA 405 H -0.15 0.45 -0.14 -0.55 8.40 8.01 1ziwA1 ALA 405 HA 0.14 0.31 0.46 -0.75 4.34 4.49 1ziwA1 ALA 405 HB3 -0.16 -0.04 0.15 -0.04 1.41 1.32 1ziwA1 HIS 406 H -0.05 0.02 -0.42 -0.55 8.41 7.41 1ziwA1 HIS 406 HA 0.09 0.22 0.75 -0.75 4.63 4.94 1ziwA1 HIS 406 HB2 0.04 -0.08 -0.04 -0.04 3.26 3.15 1ziwA1 HIS 406 HB3 0.05 0.03 0.11 -0.04 3.20 3.35 1ziwA1 HIS 406 HD2 0.02 -0.05 -0.04 -0.04 6.97 6.86 1ziwA1 HIS 406 HE1 0.08 -0.01 -0.05 -0.04 7.75 7.73 1ziwA1 SER 407 H 0.07 0.40 -0.28 -0.55 8.46 8.10 1ziwA1 SER 407 HA 0.05 0.23 0.81 -0.75 4.49 4.82 1ziwA1 SER 407 HB2 0.02 0.01 0.14 -0.04 3.95 4.07 1ziwA1 SER 407 HB3 -0.02 0.09 0.03 -0.04 3.93 3.99 1ziwA1 PRO 408 HA 0.06 0.05 0.52 -0.51 4.44 4.56 1ziwA1 PRO 408 HB2 -0.17 -0.04 0.11 -0.04 2.28 2.15 1ziwA1 PRO 408 HB3 -0.11 -0.02 0.03 -0.04 2.02 1.88 1ziwA1 PRO 408 HG2 -0.13 0.03 -0.32 -0.04 2.03 1.58 1ziwA1 PRO 408 HG3 -0.06 0.07 0.01 -0.04 2.03 2.01 1ziwA1 PRO 408 HD2 -0.03 -0.00 -0.21 -0.04 3.68 3.39 1ziwA1 PRO 408 HD3 0.00 0.33 -0.04 -0.04 3.65 3.90 1ziwA1 LEU 409 H 0.06 0.42 -0.34 -0.55 8.37 7.96 1ziwA1 LEU 409 HA -0.10 0.07 0.11 -0.75 4.35 3.68 1ziwA1 LEU 409 HB2 -0.05 0.04 -0.10 -0.04 1.64 1.49 1ziwA1 LEU 409 HB3 0.01 -0.05 -0.04 -0.04 1.64 1.51 1ziwA1 LEU 409 HG -0.09 -0.06 -0.37 -0.04 1.64 1.08 1ziwA1 LEU 409 HD13 -0.17 -0.01 -0.41 -0.04 0.93 0.31 1ziwA1 LEU 409 HD23 -0.15 -0.03 -0.16 -0.04 0.89 0.51 1ziwA1 HIS 410 H -0.06 0.54 0.43 -0.55 8.41 8.78 1ziwA1 HIS 410 HA 0.01 0.28 1.05 -0.75 4.63 5.22 1ziwA1 HIS 410 HB2 0.01 0.03 0.19 -0.04 3.26 3.46 1ziwA1 HIS 410 HB3 0.00 -0.13 0.13 -0.04 3.20 3.16 1ziwA1 HIS 410 HD2 0.06 0.18 -0.43 -0.04 6.97 6.74 1ziwA1 HIS 410 HE1 -0.02 -0.07 0.02 -0.04 7.75 7.64 1ziwA1 ILE 411 H -0.02 0.53 0.38 -0.55 8.25 8.60 1ziwA1 ILE 411 HA -0.05 0.22 1.12 -0.75 4.18 4.72 1ziwA1 ILE 411 HB -0.04 -0.06 0.22 -0.04 1.89 1.97 1ziwA1 ILE 411 HG12 0.06 0.00 0.01 -0.04 1.49 1.52 1ziwA1 ILE 411 HG13 0.11 -0.01 -0.37 -0.04 1.21 0.90 1ziwA1 ILE 411 HG23 -0.13 -0.03 -0.13 -0.04 0.93 0.60 1ziwA1 ILE 411 HD13 0.20 -0.00 -0.03 -0.04 0.88 1.02 1ziwA1 LEU 412 H -0.14 0.61 0.28 -0.55 8.37 8.57 1ziwA1 LEU 412 HA -0.27 0.31 1.01 -0.75 4.35 4.64 1ziwA1 LEU 412 HB2 -0.20 0.06 -0.15 -0.04 1.64 1.32 1ziwA1 LEU 412 HB3 -0.19 -0.00 0.14 -0.04 1.64 1.54 1ziwA1 LEU 412 HG -0.16 -0.08 -0.32 -0.04 1.64 1.04 1ziwA1 LEU 412 HD13 -0.19 0.03 -0.04 -0.04 0.93 0.70 1ziwA1 LEU 412 HD23 -0.46 0.00 -0.11 -0.04 0.89 0.28 1ziwA1 ASN 413 H -0.24 0.64 0.38 -0.55 8.53 8.77 1ziwA1 ASN 413 HA -0.08 0.09 1.04 -0.75 4.76 5.06 1ziwA1 ASN 413 HB2 -0.18 0.07 0.06 -0.04 2.88 2.79 1ziwA1 ASN 413 HB3 -0.12 -0.20 0.33 -0.04 2.79 2.75 1ziwA1 ASN 413 HD21 -0.03 0.03 -0.00 -0.04 7.03 6.99 1ziwA1 ASN 413 HD22 -0.03 0.04 -0.00 -0.04 7.74 7.71 1ziwA1 LEU 414 H 0.02 0.75 0.31 -0.55 8.37 8.89 1ziwA1 LEU 414 HA 0.12 0.15 0.65 -0.75 4.35 4.52 1ziwA1 LEU 414 HB2 0.12 0.15 0.07 -0.04 1.64 1.94 1ziwA1 LEU 414 HB3 0.20 -0.04 0.12 -0.04 1.64 1.88 1ziwA1 LEU 414 HG 0.02 -0.08 -0.44 -0.04 1.64 1.10 1ziwA1 LEU 414 HD13 0.17 -0.00 -0.12 -0.04 0.93 0.94 1ziwA1 LEU 414 HD23 0.33 0.01 -0.09 -0.04 0.89 1.10 1ziwA1 THR 415 H 0.04 -0.07 -0.11 -0.55 8.28 7.59 1ziwA1 THR 415 HA 0.10 0.37 0.23 -0.75 4.39 4.33 1ziwA1 THR 415 HB 0.05 0.08 -0.04 -0.04 4.32 4.38 1ziwA1 THR 415 HG23 0.03 -0.00 -0.08 -0.04 1.22 1.12 1ziwA1 LYS 416 H 0.09 0.55 0.23 -0.55 8.42 8.73 1ziwA1 LYS 416 HA 0.06 0.24 0.57 -0.75 4.32 4.44 1ziwA1 LYS 416 HB2 0.04 -0.01 -0.34 -0.04 1.87 1.52 1ziwA1 LYS 416 HB3 0.04 0.02 0.22 -0.04 1.79 2.03 1ziwA1 LYS 416 HG2 0.03 0.05 0.09 -0.04 1.46 1.59 1ziwA1 LYS 416 HG3 0.04 -0.00 0.02 -0.04 1.46 1.48 1ziwA1 LYS 416 HD2 0.01 -0.03 -0.06 -0.04 1.69 1.57 1ziwA1 LYS 416 HD3 0.02 -0.05 -0.15 -0.04 1.68 1.46 1ziwA1 LYS 416 HE2 0.02 0.03 -0.00 -0.04 2.99 2.99 1ziwA1 LYS 416 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 1ziwA1 ASN 417 H 0.10 0.15 -0.03 -0.55 8.53 8.20 1ziwA1 ASN 417 HA 0.12 0.33 0.96 -0.75 4.76 5.41 1ziwA1 ASN 417 HB2 0.16 0.11 0.01 -0.04 2.88 3.12 1ziwA1 ASN 417 HB3 0.19 -0.11 0.11 -0.04 2.79 2.94 1ziwA1 ASN 417 HD21 0.21 0.50 0.01 -0.04 7.03 7.71 1ziwA1 ASN 417 HD22 0.21 0.14 -0.14 -0.04 7.74 7.91 1ziwA1 LYS 418 H 0.07 0.14 -0.02 -0.55 8.42 8.06 1ziwA1 LYS 418 HA 0.05 0.02 0.23 -0.75 4.32 3.88 1ziwA1 LYS 418 HB2 0.05 0.11 -0.08 -0.04 1.87 1.91 1ziwA1 LYS 418 HB3 0.04 -0.01 0.12 -0.04 1.79 1.90 1ziwA1 LYS 418 HG2 0.04 -0.01 -0.03 -0.04 1.46 1.42 1ziwA1 LYS 418 HG3 0.05 0.00 -0.24 -0.04 1.46 1.24 1ziwA1 LYS 418 HD2 0.04 0.09 0.00 -0.04 1.69 1.77 1ziwA1 LYS 418 HD3 0.03 -0.06 -0.01 -0.04 1.68 1.61 1ziwA1 LYS 418 HE2 0.03 -0.05 -0.02 -0.04 2.99 2.91 1ziwA1 LYS 418 HE3 0.04 0.14 -0.01 -0.04 2.99 3.13 1ziwA1 ILE 419 H 0.08 -0.04 -0.33 -0.55 8.25 7.40 1ziwA1 ILE 419 HA 0.03 0.25 0.57 -0.75 4.18 4.28 1ziwA1 ILE 419 HB 0.09 -0.10 0.06 -0.04 1.89 1.90 1ziwA1 ILE 419 HG12 0.07 0.34 0.03 -0.04 1.49 1.88 1ziwA1 ILE 419 HG13 0.10 -0.15 -0.13 -0.04 1.21 0.99 1ziwA1 ILE 419 HG23 0.06 -0.00 -0.18 -0.04 0.93 0.77 1ziwA1 ILE 419 HD13 0.18 0.00 -0.00 -0.04 0.88 1.02 1ziwA1 SER 420 H 0.00 0.57 0.43 -0.55 8.46 8.92 1ziwA1 SER 420 HA -0.01 0.26 0.76 -0.75 4.49 4.75 1ziwA1 SER 420 HB2 -0.02 -0.05 0.09 -0.04 3.95 3.93 1ziwA1 SER 420 HB3 0.00 0.07 0.08 -0.04 3.93 4.04 1ziwA1 LYS 421 H -0.02 0.40 0.29 -0.55 8.42 8.53 1ziwA1 LYS 421 HA -0.07 0.14 0.88 -0.75 4.32 4.52 1ziwA1 LYS 421 HB2 -0.05 0.08 -0.19 -0.04 1.87 1.67 1ziwA1 LYS 421 HB3 -0.05 -0.07 0.08 -0.04 1.79 1.71 1ziwA1 LYS 421 HG2 -0.05 -0.03 -0.05 -0.04 1.46 1.28 1ziwA1 LYS 421 HG3 -0.08 -0.05 -0.24 -0.04 1.46 1.05 1ziwA1 LYS 421 HD2 -0.08 0.12 0.17 -0.04 1.69 1.85 1ziwA1 LYS 421 HD3 -0.05 0.02 0.06 -0.04 1.68 1.67 1ziwA1 LYS 421 HE2 -0.10 0.10 -0.05 -0.04 2.99 2.90 1ziwA1 LYS 421 HE3 -0.09 -0.00 0.10 -0.04 2.99 2.95 1ziwA1 ILE 422 H -0.09 0.23 0.11 -0.55 8.25 7.95 1ziwA1 ILE 422 HA -0.09 0.14 1.05 -0.75 4.18 4.52 1ziwA1 ILE 422 HB -0.17 -0.06 0.12 -0.04 1.89 1.74 1ziwA1 ILE 422 HG12 0.11 0.05 -0.04 -0.04 1.49 1.56 1ziwA1 ILE 422 HG13 0.02 -0.10 -0.28 -0.04 1.21 0.81 1ziwA1 ILE 422 HG23 -0.16 0.04 -0.05 -0.04 0.93 0.72 1ziwA1 ILE 422 HD13 0.17 0.01 -0.08 -0.04 0.88 0.94 1ziwA1 GLU 423 H -0.14 0.67 0.23 -0.55 8.60 8.81 1ziwA1 GLU 423 HA -0.13 0.07 0.62 -0.75 4.29 4.09 1ziwA1 GLU 423 HB2 -0.11 0.08 0.19 -0.04 2.09 2.20 1ziwA1 GLU 423 HB3 -0.10 -0.04 0.13 -0.04 1.99 1.95 1ziwA1 GLU 423 HG2 -0.08 0.01 -0.03 -0.04 2.34 2.20 1ziwA1 GLU 423 HG3 -0.09 -0.00 -0.13 -0.04 2.34 2.08 1ziwA1 SER 424 H -0.12 0.09 0.11 -0.55 8.46 7.99 1ziwA1 SER 424 HA -0.17 -0.06 0.08 -0.75 4.49 3.59 1ziwA1 SER 424 HB2 -0.11 -0.04 0.08 -0.04 3.95 3.84 1ziwA1 SER 424 HB3 -0.10 0.00 0.09 -0.04 3.93 3.89 1ziwA1 ASP 425 H -0.14 0.58 0.17 -0.55 8.40 8.47 1ziwA1 ASP 425 HA -0.13 0.10 0.32 -0.75 4.63 4.16 1ziwA1 ASP 425 HB2 -0.14 0.09 -0.07 -0.04 2.71 2.56 1ziwA1 ASP 425 HB3 -0.24 0.01 0.14 -0.04 2.70 2.56 1ziwA1 ALA 426 H -0.23 0.29 -0.31 -0.55 8.40 7.60 1ziwA1 ALA 426 HA -0.14 0.16 0.19 -0.75 4.34 3.80 1ziwA1 ALA 426 HB3 -0.58 0.01 -0.04 -0.04 1.41 0.76 1ziwA1 PHE 427 H -0.06 0.17 -0.35 -0.55 8.34 7.54 1ziwA1 PHE 427 HA 0.16 0.17 0.80 -0.75 4.62 5.01 1ziwA1 PHE 427 HB2 0.12 0.11 -0.09 -0.04 3.15 3.25 1ziwA1 PHE 427 HB3 0.05 0.02 0.03 -0.04 3.06 3.12 1ziwA1 PHE 427 HD2 0.01 0.15 -0.09 -0.04 7.28 7.30 1ziwA1 PHE 427 HE2 -0.03 -0.03 -0.12 -0.04 7.38 7.16 1ziwA1 PHE 427 HZ 0.17 -0.02 -0.10 -0.04 7.32 7.32 1ziwA1 SER 428 H -0.23 0.29 -0.32 -0.55 8.46 7.65 1ziwA1 SER 428 HA -0.12 0.16 0.38 -0.75 4.49 4.15 1ziwA1 SER 428 HB2 -0.35 -0.04 0.02 -0.04 3.95 3.54 1ziwA1 SER 428 HB3 -0.30 -0.07 0.03 -0.04 3.93 3.55 1ziwA1 TRP 429 H -0.13 0.06 -0.58 -0.55 7.97 6.78 1ziwA1 TRP 429 HA 0.00 0.10 0.34 -0.75 4.62 4.31 1ziwA1 TRP 429 HB2 0.08 0.04 -0.24 -0.04 3.23 3.08 1ziwA1 TRP 429 HB3 0.01 -0.01 0.00 -0.04 3.23 3.19 1ziwA1 TRP 429 HD1 0.13 0.03 -0.27 -0.04 7.22 7.07 1ziwA1 TRP 429 HE1 -0.02 0.17 -0.19 -0.04 10.20 10.13 1ziwA1 TRP 429 HE3 -0.04 0.06 0.01 -0.04 7.59 7.58 1ziwA1 TRP 429 HZ2 -0.03 0.12 0.10 -0.04 7.44 7.59 1ziwA1 TRP 429 HZ3 -0.02 0.00 -0.00 -0.04 7.13 7.07 1ziwA1 TRP 429 HH2 -0.01 -0.04 0.01 -0.04 7.19 7.11 1ziwA1 LEU 430 H 0.11 0.42 -0.68 -0.55 8.37 7.68 1ziwA1 LEU 430 HA 0.12 0.23 0.54 -0.75 4.35 4.49 1ziwA1 LEU 430 HB2 0.12 0.13 0.08 -0.04 1.64 1.93 1ziwA1 LEU 430 HB3 0.06 -0.03 0.05 -0.04 1.64 1.67 1ziwA1 LEU 430 HG 0.28 -0.15 -0.24 -0.04 1.64 1.48 1ziwA1 LEU 430 HD13 0.03 -0.02 -0.09 -0.04 0.93 0.81 1ziwA1 LEU 430 HD23 0.10 0.05 -0.25 -0.04 0.89 0.74 1ziwA1 GLY 431 H -0.00 0.30 -0.10 -0.55 8.43 8.08 1ziwA1 GLY 431 HA2 -0.06 0.28 0.43 -0.51 4.01 4.15 1ziwA1 GLY 431 HA3 -0.17 0.02 0.37 -0.51 4.01 3.72 1ziwA1 HIS 432 H 0.00 0.10 -0.37 -0.55 8.41 7.60 1ziwA1 HIS 432 HA 0.04 0.14 0.80 -0.75 4.63 4.86 1ziwA1 HIS 432 HB2 0.13 0.05 -0.12 -0.04 3.26 3.28 1ziwA1 HIS 432 HB3 0.22 0.01 -0.02 -0.04 3.20 3.36 1ziwA1 HIS 432 HD2 0.05 0.02 -0.04 -0.04 6.97 6.95 1ziwA1 HIS 432 HE1 0.07 -0.01 -0.05 -0.04 7.75 7.71 1ziwA1 LEU 433 H 0.05 0.43 -0.20 -0.55 8.37 8.10 1ziwA1 LEU 433 HA 0.09 0.12 0.31 -0.75 4.35 4.12 1ziwA1 LEU 433 HB2 0.01 0.04 0.04 -0.04 1.64 1.69 1ziwA1 LEU 433 HB3 -0.02 -0.07 -0.07 -0.04 1.64 1.45 1ziwA1 LEU 433 HG -0.05 -0.06 -0.30 -0.04 1.64 1.18 1ziwA1 LEU 433 HD13 -0.05 -0.03 -0.44 -0.04 0.93 0.36 1ziwA1 LEU 433 HD23 -0.16 -0.03 -0.15 -0.04 0.89 0.50 1ziwA1 GLU 434 H 0.04 0.49 0.43 -0.55 8.60 9.02 1ziwA1 GLU 434 HA 0.03 0.31 0.95 -0.75 4.29 4.82 1ziwA1 GLU 434 HB2 -0.01 0.03 0.22 -0.04 2.09 2.29 1ziwA1 GLU 434 HB3 -0.02 -0.12 0.10 -0.04 1.99 1.91 1ziwA1 GLU 434 HG2 -0.09 0.16 0.00 -0.04 2.34 2.38 1ziwA1 GLU 434 HG3 -0.12 0.23 -0.06 -0.04 2.34 2.34 1ziwA1 VAL 435 H 0.01 0.61 0.42 -0.55 8.24 8.73 1ziwA1 VAL 435 HA 0.02 0.21 1.09 -0.75 4.13 4.71 1ziwA1 VAL 435 HB 0.02 -0.06 0.22 -0.04 2.12 2.26 1ziwA1 VAL 435 HG13 0.02 -0.03 -0.12 -0.04 0.97 0.80 1ziwA1 VAL 435 HG23 0.14 0.02 -0.10 -0.04 0.95 0.97 1ziwA1 LEU 436 H -0.08 0.60 0.28 -0.55 8.37 8.63 1ziwA1 LEU 436 HA -0.14 0.23 0.98 -0.75 4.35 4.67 1ziwA1 LEU 436 HB2 -0.25 0.07 -0.11 -0.04 1.64 1.30 1ziwA1 LEU 436 HB3 -0.22 0.00 0.21 -0.04 1.64 1.59 1ziwA1 LEU 436 HG -0.18 -0.09 -0.24 -0.04 1.64 1.09 1ziwA1 LEU 436 HD13 -0.36 0.02 -0.08 -0.04 0.93 0.48 1ziwA1 LEU 436 HD23 -0.72 0.00 -0.11 -0.04 0.89 0.02 1ziwA1 ASP 437 H -0.07 0.68 0.31 -0.55 8.40 8.77 1ziwA1 ASP 437 HA 0.09 0.08 1.08 -0.75 4.63 5.13 1ziwA1 ASP 437 HB2 -0.05 0.06 0.07 -0.04 2.71 2.74 1ziwA1 ASP 437 HB3 -0.04 -0.16 0.32 -0.04 2.70 2.78 1ziwA1 LEU 438 H 0.16 0.68 0.28 -0.55 8.37 8.94 1ziwA1 LEU 438 HA 0.14 0.13 0.65 -0.75 4.35 4.51 1ziwA1 LEU 438 HB2 0.17 0.15 0.08 -0.04 1.64 2.01 1ziwA1 LEU 438 HB3 0.19 -0.04 0.10 -0.04 1.64 1.85 1ziwA1 LEU 438 HG 0.09 -0.06 -0.35 -0.04 1.64 1.28 1ziwA1 LEU 438 HD13 0.33 0.00 -0.11 -0.04 0.93 1.11 1ziwA1 LEU 438 HD23 0.31 0.00 -0.06 -0.04 0.89 1.10 1ziwA1 GLY 439 H 0.30 -0.10 -0.15 -0.55 8.43 7.93 1ziwA1 GLY 439 HA2 0.25 0.29 0.04 -0.51 4.01 4.08 1ziwA1 GLY 439 HA3 0.53 -0.09 0.19 -0.51 4.01 4.13 1ziwA1 LEU 440 H 0.29 0.59 0.37 -0.55 8.37 9.07 1ziwA1 LEU 440 HA 0.16 0.15 0.52 -0.75 4.35 4.42 1ziwA1 LEU 440 HB2 0.10 -0.03 -0.16 -0.04 1.64 1.51 1ziwA1 LEU 440 HB3 0.05 -0.01 0.24 -0.04 1.64 1.88 1ziwA1 LEU 440 HG 0.21 -0.04 -0.10 -0.04 1.64 1.67 1ziwA1 LEU 440 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 1ziwA1 LEU 440 HD23 -0.14 0.03 0.06 -0.04 0.89 0.80 1ziwA1 ASN 441 H 0.13 0.31 0.03 -0.55 8.53 8.45 1ziwA1 ASN 441 HA 0.08 -0.03 0.85 -0.75 4.76 4.91 1ziwA1 ASN 441 HB2 0.11 0.21 0.06 -0.04 2.88 3.21 1ziwA1 ASN 441 HB3 0.08 0.01 0.28 -0.04 2.79 3.11 1ziwA1 ASN 441 HD21 0.13 0.38 -0.11 -0.04 7.03 7.38 1ziwA1 ASN 441 HD22 0.14 0.40 -0.35 -0.04 7.74 7.88 1ziwA1 GLU 442 H 0.05 0.58 0.09 -0.55 8.60 8.77 1ziwA1 GLU 442 HA 0.05 0.17 0.85 -0.75 4.29 4.61 1ziwA1 GLU 442 HB2 0.03 0.05 -0.07 -0.04 2.09 2.06 1ziwA1 GLU 442 HB3 0.03 -0.01 0.11 -0.04 1.99 2.09 1ziwA1 GLU 442 HG2 0.05 -0.19 -0.24 -0.04 2.34 1.91 1ziwA1 GLU 442 HG3 0.04 0.03 -0.07 -0.04 2.34 2.30 1ziwA1 ILE 443 H 0.03 0.06 -0.02 -0.55 8.25 7.77 1ziwA1 ILE 443 HA -0.04 0.09 0.30 -0.75 4.18 3.78 1ziwA1 ILE 443 HB 0.01 -0.02 0.07 -0.04 1.89 1.90 1ziwA1 ILE 443 HG12 0.03 -0.08 -0.35 -0.04 1.49 1.04 1ziwA1 ILE 443 HG13 0.05 0.06 -0.07 -0.04 1.21 1.21 1ziwA1 ILE 443 HG23 -0.06 -0.01 -0.23 -0.04 0.93 0.60 1ziwA1 ILE 443 HD13 0.12 0.02 -0.06 -0.04 0.88 0.91 1ziwA1 GLY 444 H -0.18 0.63 0.33 -0.55 8.43 8.66 1ziwA1 GLY 444 HA2 -0.86 0.24 1.07 -0.51 4.01 3.96 1ziwA1 GLY 444 HA3 -0.42 -0.02 0.44 -0.51 4.01 3.50 1ziwA1 GLN 445 H -0.84 0.66 0.29 -0.55 8.47 8.03 1ziwA1 GLN 445 HA -0.16 0.05 0.54 -0.75 4.36 4.04 1ziwA1 GLN 445 HB2 -0.11 -0.01 0.21 -0.04 2.15 2.20 1ziwA1 GLN 445 HB3 -0.17 0.19 -0.12 -0.04 2.02 1.87 1ziwA1 GLN 445 HG2 -0.17 -0.02 -0.18 -0.04 2.40 1.99 1ziwA1 GLN 445 HG3 -0.13 0.01 -0.51 -0.04 2.39 1.72 1ziwA1 GLN 445 HE21 -0.18 0.33 0.19 -0.04 6.97 7.26 1ziwA1 GLN 445 HE22 -0.17 0.14 0.07 -0.04 7.69 7.68 1ziwA1 GLU 446 H 0.02 0.13 0.18 -0.55 8.60 8.38 1ziwA1 GLU 446 HA 0.02 0.19 0.93 -0.75 4.29 4.67 1ziwA1 GLU 446 HB2 0.03 0.02 0.09 -0.04 2.09 2.18 1ziwA1 GLU 446 HB3 -0.01 -0.05 0.13 -0.04 1.99 2.01 1ziwA1 GLU 446 HG2 -0.06 -0.15 -0.65 -0.04 2.34 1.44 1ziwA1 GLU 446 HG3 -0.04 0.19 -0.20 -0.04 2.34 2.25 1ziwA1 LEU 447 H -0.06 0.75 0.22 -0.55 8.37 8.73 1ziwA1 LEU 447 HA -0.19 0.07 0.82 -0.75 4.35 4.29 1ziwA1 LEU 447 HB2 -0.16 0.01 0.18 -0.04 1.64 1.64 1ziwA1 LEU 447 HB3 -0.21 -0.01 0.06 -0.04 1.64 1.44 1ziwA1 LEU 447 HG -0.02 0.04 -0.09 -0.04 1.64 1.52 1ziwA1 LEU 447 HD13 0.21 0.02 -0.08 -0.04 0.93 1.03 1ziwA1 LEU 447 HD23 -0.13 0.01 -0.07 -0.04 0.89 0.66 1ziwA1 THR 448 H -0.18 0.24 0.08 -0.55 8.28 7.86 1ziwA1 THR 448 HA -0.10 0.13 0.40 -0.75 4.39 4.06 1ziwA1 THR 448 HB -0.09 0.07 0.08 -0.04 4.32 4.33 1ziwA1 THR 448 HG23 -0.10 0.06 0.03 -0.04 1.22 1.16 1ziwA1 GLY 449 H -0.29 0.01 -0.20 -0.55 8.43 7.41 1ziwA1 GLY 449 HA2 -0.09 0.39 0.30 -0.51 4.01 4.09 1ziwA1 GLY 449 HA3 -0.07 0.46 0.70 -0.51 4.01 4.60 1ziwA1 GLN 450 H -0.17 0.09 -0.30 -0.55 8.47 7.54 1ziwA1 GLN 450 HA -0.08 0.20 0.52 -0.75 4.36 4.24 1ziwA1 GLN 450 HB2 -0.14 -0.03 0.04 -0.04 2.15 1.98 1ziwA1 GLN 450 HB3 -0.11 -0.02 0.10 -0.04 2.02 1.96 1ziwA1 GLN 450 HG2 -0.09 0.02 -0.08 -0.04 2.40 2.21 1ziwA1 GLN 450 HG3 -0.08 0.04 0.00 -0.04 2.39 2.31 1ziwA1 GLN 450 HE21 -0.03 0.06 -0.07 -0.04 6.97 6.89 1ziwA1 GLN 450 HE22 -0.05 0.04 -0.11 -0.04 7.69 7.53 1ziwA1 GLU 451 H -0.46 0.01 -0.24 -0.55 8.60 7.37 1ziwA1 GLU 451 HA -0.33 0.14 0.33 -0.75 4.29 3.68 1ziwA1 GLU 451 HB2 -1.73 0.04 -0.06 -0.04 2.09 0.29 1ziwA1 GLU 451 HB3 -0.95 0.07 -0.07 -0.04 1.99 1.00 1ziwA1 GLU 451 HG2 -0.50 0.08 -0.01 -0.04 2.34 1.86 1ziwA1 GLU 451 HG3 -0.37 0.11 -0.19 -0.04 2.34 1.85 1ziwA1 TRP 452 H -0.24 0.24 -0.57 -0.55 7.97 6.86 1ziwA1 TRP 452 HA 0.16 0.20 0.48 -0.75 4.62 4.71 1ziwA1 TRP 452 HB2 0.03 0.05 -0.13 -0.04 3.23 3.15 1ziwA1 TRP 452 HB3 0.05 0.06 -0.01 -0.04 3.23 3.30 1ziwA1 TRP 452 HD1 -0.02 0.07 0.09 -0.04 7.22 7.32 1ziwA1 TRP 452 HE1 -0.37 0.12 0.02 -0.04 10.20 9.93 1ziwA1 TRP 452 HE3 0.09 0.09 -0.23 -0.04 7.59 7.49 1ziwA1 TRP 452 HZ2 0.10 -0.00 -0.10 -0.04 7.44 7.40 1ziwA1 TRP 452 HZ3 -0.05 0.01 -0.14 -0.04 7.13 6.91 1ziwA1 TRP 452 HH2 0.09 0.00 -0.12 -0.04 7.19 7.12 1ziwA1 ARG 453 H 0.04 0.20 -0.33 -0.55 8.46 7.82 1ziwA1 ARG 453 HA 0.06 0.08 0.33 -0.75 4.34 4.05 1ziwA1 ARG 453 HB2 -0.03 -0.03 0.15 -0.04 1.90 1.95 1ziwA1 ARG 453 HB3 -0.06 -0.07 0.08 -0.04 1.80 1.71 1ziwA1 ARG 453 HG2 -0.06 0.05 -0.11 -0.04 1.67 1.51 1ziwA1 ARG 453 HG3 -0.02 0.02 0.07 -0.04 1.67 1.70 1ziwA1 ARG 453 HD2 -0.08 -0.03 -0.00 -0.04 3.22 3.06 1ziwA1 ARG 453 HD3 -0.06 0.04 -0.00 -0.04 3.22 3.16 1ziwA1 GLY 454 H 0.01 0.16 0.13 -0.55 8.43 8.19 1ziwA1 GLY 454 HA2 -0.04 0.01 0.36 -0.51 4.01 3.83 1ziwA1 GLY 454 HA3 -0.05 0.10 0.57 -0.51 4.01 4.12 1ziwA1 LEU 455 H 0.09 0.39 -0.35 -0.55 8.37 7.95 1ziwA1 LEU 455 HA 0.03 0.19 0.41 -0.75 4.35 4.23 1ziwA1 LEU 455 HB2 0.12 0.15 0.11 -0.04 1.64 1.97 1ziwA1 LEU 455 HB3 0.01 -0.08 0.10 -0.04 1.64 1.63 1ziwA1 LEU 455 HG 0.21 0.02 -0.26 -0.04 1.64 1.58 1ziwA1 LEU 455 HD13 0.13 -0.05 -0.08 -0.04 0.93 0.89 1ziwA1 LEU 455 HD23 0.02 0.02 -0.12 -0.04 0.89 0.77 1ziwA1 GLU 456 H -0.02 0.48 0.09 -0.55 8.60 8.61 1ziwA1 GLU 456 HA 0.00 0.00 0.15 -0.75 4.29 3.69 1ziwA1 GLU 456 HB2 -0.05 0.23 0.08 -0.04 2.09 2.31 1ziwA1 GLU 456 HB3 -0.02 -0.06 0.08 -0.04 1.99 1.96 1ziwA1 GLU 456 HG2 -0.02 -0.11 0.00 -0.04 2.34 2.17 1ziwA1 GLU 456 HG3 -0.04 0.22 0.07 -0.04 2.34 2.55 1ziwA1 ASN 457 H -0.01 0.12 -0.30 -0.55 8.53 7.80 1ziwA1 ASN 457 HA 0.00 0.16 0.90 -0.75 4.76 5.07 1ziwA1 ASN 457 HB2 0.01 0.05 -0.14 -0.04 2.88 2.77 1ziwA1 ASN 457 HB3 -0.00 -0.03 -0.00 -0.04 2.79 2.71 1ziwA1 ASN 457 HD21 0.02 -0.13 -0.05 -0.04 7.03 6.83 1ziwA1 ASN 457 HD22 -0.07 0.67 0.22 -0.04 7.74 8.53 1ziwA1 ILE 458 H -0.01 0.21 -0.24 -0.55 8.25 7.66 1ziwA1 ILE 458 HA -0.01 0.08 0.38 -0.75 4.18 3.88 1ziwA1 ILE 458 HB -0.06 0.01 -0.02 -0.04 1.89 1.78 1ziwA1 ILE 458 HG12 -0.24 -0.09 -0.20 -0.04 1.49 0.92 1ziwA1 ILE 458 HG13 -0.13 -0.08 -0.26 -0.04 1.21 0.70 1ziwA1 ILE 458 HG23 -0.10 0.00 -0.11 -0.04 0.93 0.68 1ziwA1 ILE 458 HD13 -0.12 -0.02 -0.36 -0.04 0.88 0.34 1ziwA1 PHE 459 H 0.10 0.54 0.46 -0.55 8.34 8.89 1ziwA1 PHE 459 HA -0.07 0.22 0.86 -0.75 4.62 4.88 1ziwA1 PHE 459 HB2 -0.06 0.11 0.08 -0.04 3.15 3.24 1ziwA1 PHE 459 HB3 -0.06 0.10 0.26 -0.04 3.06 3.32 1ziwA1 PHE 459 HD2 -0.04 0.06 0.00 -0.04 7.28 7.26 1ziwA1 PHE 459 HE2 -0.02 -0.02 -0.02 -0.04 7.38 7.28 1ziwA1 PHE 459 HZ -0.02 -0.03 -0.02 -0.04 7.32 7.21 1ziwA1 GLU 460 H 0.01 0.56 0.46 -0.55 8.60 9.08 1ziwA1 GLU 460 HA -0.31 0.28 1.23 -0.75 4.29 4.74 1ziwA1 GLU 460 HB2 -0.26 0.04 -0.07 -0.04 2.09 1.77 1ziwA1 GLU 460 HB3 0.05 -0.05 0.15 -0.04 1.99 2.10 1ziwA1 GLU 460 HG2 -0.02 -0.10 -0.49 -0.04 2.34 1.69 1ziwA1 GLU 460 HG3 -0.11 0.05 -0.12 -0.04 2.34 2.12 1ziwA1 ILE 461 H -0.24 0.67 0.36 -0.55 8.25 8.49 1ziwA1 ILE 461 HA -0.15 0.24 0.97 -0.75 4.18 4.49 1ziwA1 ILE 461 HB -0.39 -0.00 0.14 -0.04 1.89 1.59 1ziwA1 ILE 461 HG12 -0.48 0.02 -0.02 -0.04 1.49 0.96 1ziwA1 ILE 461 HG13 -0.36 -0.02 -0.37 -0.04 1.21 0.41 1ziwA1 ILE 461 HG23 -0.33 -0.02 -0.22 -0.04 0.93 0.32 1ziwA1 ILE 461 HD13 -1.08 0.01 -0.09 -0.04 0.88 -0.33 1ziwA1 TYR 462 H 0.06 0.63 0.32 -0.55 8.29 8.75 1ziwA1 TYR 462 HA -0.06 0.05 0.97 -0.75 4.56 4.76 1ziwA1 TYR 462 HB2 -0.04 0.07 0.05 -0.04 3.06 3.10 1ziwA1 TYR 462 HB3 -0.01 -0.15 0.32 -0.04 2.98 3.09 1ziwA1 TYR 462 HD2 0.02 -0.04 -0.06 -0.04 7.15 7.02 1ziwA1 TYR 462 HE2 0.10 0.07 -0.02 -0.04 6.85 6.96 1ziwA1 LEU 463 H -0.31 0.68 0.33 -0.55 8.37 8.52 1ziwA1 LEU 463 HA 0.07 0.16 0.63 -0.75 4.35 4.46 1ziwA1 LEU 463 HB2 -0.00 0.12 0.04 -0.04 1.64 1.76 1ziwA1 LEU 463 HB3 0.06 -0.02 0.02 -0.04 1.64 1.66 1ziwA1 LEU 463 HG 0.13 -0.03 -0.38 -0.04 1.64 1.32 1ziwA1 LEU 463 HD13 0.37 0.00 -0.14 -0.04 0.93 1.12 1ziwA1 LEU 463 HD23 0.26 0.01 -0.07 -0.04 0.89 1.05 1ziwA1 SER 464 H -0.75 -0.07 -0.01 -0.55 8.46 7.09 1ziwA1 SER 464 HA -0.30 0.15 0.18 -0.75 4.49 3.77 1ziwA1 SER 464 HB2 -0.44 -0.02 0.03 -0.04 3.95 3.48 1ziwA1 SER 464 HB3 -0.70 0.15 0.08 -0.04 3.93 3.42 1ziwA1 TYR 465 H -0.35 0.66 0.20 -0.55 8.29 8.25 1ziwA1 TYR 465 HA 0.03 0.26 0.51 -0.75 4.56 4.61 1ziwA1 TYR 465 HB2 0.09 -0.16 0.29 -0.04 3.06 3.24 1ziwA1 TYR 465 HB3 0.05 0.05 0.21 -0.04 2.98 3.25 1ziwA1 TYR 465 HD2 0.11 0.04 -0.09 -0.04 7.15 7.17 1ziwA1 TYR 465 HE2 0.09 -0.02 -0.04 -0.04 6.85 6.84 1ziwA1 ASN 466 H 0.04 0.29 0.17 -0.55 8.53 8.48 1ziwA1 ASN 466 HA 0.08 0.20 0.53 -0.75 4.76 4.81 1ziwA1 ASN 466 HB2 0.04 0.08 -0.10 -0.04 2.88 2.85 1ziwA1 ASN 466 HB3 0.02 0.11 0.06 -0.04 2.79 2.94 1ziwA1 ASN 466 HD21 0.12 0.35 -0.14 -0.04 7.03 7.32 1ziwA1 ASN 466 HD22 0.07 0.57 -0.26 -0.04 7.74 8.09 1ziwA1 LYS 467 H 0.02 0.19 -0.09 -0.55 8.42 7.98 1ziwA1 LYS 467 HA 0.08 0.08 0.32 -0.75 4.32 4.05 1ziwA1 LYS 467 HB2 0.03 0.08 -0.17 -0.04 1.87 1.76 1ziwA1 LYS 467 HB3 0.11 -0.04 -0.03 -0.04 1.79 1.79 1ziwA1 LYS 467 HG2 0.05 -0.09 -0.03 -0.04 1.46 1.35 1ziwA1 LYS 467 HG3 0.04 0.10 -0.00 -0.04 1.46 1.56 1ziwA1 LYS 467 HD2 0.06 -0.02 -0.02 -0.04 1.69 1.66 1ziwA1 LYS 467 HD3 0.06 0.01 -0.07 -0.04 1.68 1.64 1ziwA1 LYS 467 HE2 0.05 0.06 -0.02 -0.04 2.99 3.04 1ziwA1 LYS 467 HE3 0.04 0.00 -0.00 -0.04 2.99 2.99 1ziwA1 TYR 468 H -0.11 0.49 0.34 -0.55 8.29 8.46 1ziwA1 TYR 468 HA 0.01 0.40 0.31 -0.75 4.56 4.52 1ziwA1 TYR 468 HB2 0.00 0.09 0.10 -0.04 3.06 3.21 1ziwA1 TYR 468 HB3 0.01 0.07 -0.11 -0.04 2.98 2.91 1ziwA1 TYR 468 HD2 0.00 0.04 -0.25 -0.04 7.15 6.89 1ziwA1 TYR 468 HE2 -0.01 -0.02 -0.20 -0.04 6.85 6.58 1ziwA1 LEU 469 H 0.12 0.51 0.07 -0.55 8.37 8.53 1ziwA1 LEU 469 HA -0.04 0.30 0.95 -0.75 4.35 4.80 1ziwA1 LEU 469 HB2 0.07 -0.05 0.05 -0.04 1.64 1.67 1ziwA1 LEU 469 HB3 0.07 -0.04 -0.08 -0.04 1.64 1.55 1ziwA1 LEU 469 HG 0.01 0.02 -0.36 -0.04 1.64 1.27 1ziwA1 LEU 469 HD13 0.11 -0.01 -0.11 -0.04 0.93 0.87 1ziwA1 LEU 469 HD23 -0.01 0.01 -0.07 -0.04 0.89 0.78 1ziwA1 GLN 470 H 0.09 0.58 0.33 -0.55 8.47 8.93 1ziwA1 GLN 470 HA 0.07 0.11 1.02 -0.75 4.36 4.81 1ziwA1 GLN 470 HB2 0.13 0.03 0.00 -0.04 2.15 2.27 1ziwA1 GLN 470 HB3 0.14 -0.07 0.11 -0.04 2.02 2.16 1ziwA1 GLN 470 HG2 0.01 0.11 -0.32 -0.04 2.40 2.16 1ziwA1 GLN 470 HG3 0.02 -0.02 -0.04 -0.04 2.39 2.31 1ziwA1 GLN 470 HE21 -0.00 -0.02 -0.03 -0.04 6.97 6.87 1ziwA1 GLN 470 HE22 -0.01 0.08 -0.07 -0.04 7.69 7.65 1ziwA1 LEU 471 H 0.01 0.68 0.27 -0.55 8.37 8.79 1ziwA1 LEU 471 HA -0.06 0.04 0.69 -0.75 4.35 4.26 1ziwA1 LEU 471 HB2 -0.04 0.12 -0.01 -0.04 1.64 1.66 1ziwA1 LEU 471 HB3 -0.09 0.03 0.10 -0.04 1.64 1.63 1ziwA1 LEU 471 HG 0.07 0.07 -0.06 -0.04 1.64 1.67 1ziwA1 LEU 471 HD13 0.03 -0.02 -0.09 -0.04 0.93 0.81 1ziwA1 LEU 471 HD23 0.10 -0.02 -0.15 -0.04 0.89 0.78 1ziwA1 THR 472 H -0.11 0.18 0.31 -0.55 8.28 8.11 1ziwA1 THR 472 HA -0.05 0.20 0.68 -0.75 4.39 4.46 1ziwA1 THR 472 HB -0.05 -0.02 0.21 -0.04 4.32 4.42 1ziwA1 THR 472 HG23 -0.05 0.05 -0.16 -0.04 1.22 1.01 1ziwA1 ARG 473 H -0.04 0.17 0.17 -0.55 8.46 8.19 1ziwA1 ARG 473 HA -0.06 0.19 0.34 -0.75 4.34 4.06 1ziwA1 ARG 473 HB2 -0.02 0.11 0.07 -0.04 1.90 2.02 1ziwA1 ARG 473 HB3 -0.03 -0.04 0.16 -0.04 1.80 1.85 1ziwA1 ARG 473 HG2 -0.03 -0.13 0.09 -0.04 1.67 1.56 1ziwA1 ARG 473 HG3 -0.02 0.05 -0.23 -0.04 1.67 1.43 1ziwA1 ARG 473 HD2 -0.01 -0.01 -0.00 -0.04 3.22 3.16 1ziwA1 ARG 473 HD3 -0.01 0.05 -0.00 -0.04 3.22 3.22 1ziwA1 ASN 474 H -0.05 -0.02 -0.43 -0.55 8.53 7.48 1ziwA1 ASN 474 HA -0.01 0.24 0.80 -0.75 4.76 5.03 1ziwA1 ASN 474 HB2 -0.05 0.04 0.07 -0.04 2.88 2.91 1ziwA1 ASN 474 HB3 -0.03 0.00 0.15 -0.04 2.79 2.87 1ziwA1 ASN 474 HD21 -0.01 0.02 -0.06 -0.04 7.03 6.94 1ziwA1 ASN 474 HD22 -0.00 0.02 -0.00 -0.04 7.74 7.71 1ziwA1 SER 475 H -0.12 0.39 -0.18 -0.55 8.46 8.01 1ziwA1 SER 475 HA -0.21 -0.04 -0.11 -0.75 4.49 3.37 1ziwA1 SER 475 HB2 -0.39 0.13 0.13 -0.04 3.95 3.77 1ziwA1 SER 475 HB3 -0.85 -0.03 0.01 -0.04 3.93 3.01 1ziwA1 PHE 476 H 0.04 0.20 -0.32 -0.55 8.34 7.70 1ziwA1 PHE 476 HA 0.21 0.15 0.87 -0.75 4.62 5.10 1ziwA1 PHE 476 HB2 0.03 0.22 -0.03 -0.04 3.15 3.33 1ziwA1 PHE 476 HB3 -0.03 0.04 0.05 -0.04 3.06 3.08 1ziwA1 PHE 476 HD2 -0.19 0.11 -0.12 -0.04 7.28 7.05 1ziwA1 PHE 476 HE2 0.02 -0.03 -0.13 -0.04 7.38 7.21 1ziwA1 PHE 476 HZ 0.15 -0.03 -0.14 -0.04 7.32 7.26 1ziwA1 ALA 477 H 0.09 0.27 -0.18 -0.55 8.40 8.03 1ziwA1 ALA 477 HA 0.09 0.14 0.31 -0.75 4.34 4.12 1ziwA1 ALA 477 HB3 0.04 0.03 0.08 -0.04 1.41 1.52 1ziwA1 LEU 478 H 0.16 0.11 -0.35 -0.55 8.37 7.74 1ziwA1 LEU 478 HA 0.06 0.13 0.49 -0.75 4.35 4.28 1ziwA1 LEU 478 HB2 0.20 0.04 -0.13 -0.04 1.64 1.70 1ziwA1 LEU 478 HB3 0.10 -0.05 -0.01 -0.04 1.64 1.63 1ziwA1 LEU 478 HG 0.06 0.02 -0.10 -0.04 1.64 1.57 1ziwA1 LEU 478 HD13 0.02 -0.03 -0.04 -0.04 0.93 0.85 1ziwA1 LEU 478 HD23 0.03 0.01 -0.10 -0.04 0.89 0.78 1ziwA1 VAL 479 H 0.11 0.36 -0.57 -0.55 8.24 7.60 1ziwA1 VAL 479 HA 0.03 0.26 0.86 -0.75 4.13 4.52 1ziwA1 VAL 479 HB -0.08 -0.01 0.09 -0.04 2.12 2.07 1ziwA1 VAL 479 HG13 0.05 0.01 -0.19 -0.04 0.97 0.79 1ziwA1 VAL 479 HG23 -0.07 -0.04 0.00 -0.04 0.95 0.80 1ziwA1 PRO 480 HA 0.01 0.13 0.31 -0.51 4.44 4.38 1ziwA1 PRO 480 HB2 0.01 -0.01 0.08 -0.04 2.28 2.32 1ziwA1 PRO 480 HB3 0.02 0.06 0.13 -0.04 2.02 2.19 1ziwA1 PRO 480 HG2 0.01 0.04 -0.03 -0.04 2.03 2.00 1ziwA1 PRO 480 HG3 0.02 -0.00 0.02 -0.04 2.03 2.02 1ziwA1 PRO 480 HD2 0.03 0.22 -0.19 -0.04 3.68 3.69 1ziwA1 PRO 480 HD3 0.04 0.26 -0.24 -0.04 3.65 3.66 1ziwA1 SER 481 H -0.01 0.08 -0.48 -0.55 8.46 7.50 1ziwA1 SER 481 HA -0.01 0.07 0.58 -0.75 4.49 4.38 1ziwA1 SER 481 HB2 0.01 -0.03 0.06 -0.04 3.95 3.95 1ziwA1 SER 481 HB3 0.00 -0.04 0.03 -0.04 3.93 3.88 1ziwA1 LEU 482 H -0.06 0.34 -0.33 -0.55 8.37 7.77 1ziwA1 LEU 482 HA -0.14 0.06 0.09 -0.75 4.35 3.60 1ziwA1 LEU 482 HB2 -0.16 0.12 0.03 -0.04 1.64 1.60 1ziwA1 LEU 482 HB3 -0.16 -0.03 -0.05 -0.04 1.64 1.35 1ziwA1 LEU 482 HG -0.28 -0.06 -0.29 -0.04 1.64 0.97 1ziwA1 LEU 482 HD13 -0.26 -0.03 -0.33 -0.04 0.93 0.26 1ziwA1 LEU 482 HD23 -0.38 -0.03 -0.10 -0.04 0.89 0.33 1ziwA1 GLN 483 H -0.34 0.47 0.38 -0.55 8.47 8.43 1ziwA1 GLN 483 HA -0.18 0.26 0.96 -0.75 4.36 4.65 1ziwA1 GLN 483 HB2 -0.70 -0.01 0.18 -0.04 2.15 1.58 1ziwA1 GLN 483 HB3 -0.20 -0.12 0.18 -0.04 2.02 1.84 1ziwA1 GLN 483 HG2 -0.04 0.17 -0.10 -0.04 2.40 2.40 1ziwA1 GLN 483 HG3 -0.01 0.24 -0.02 -0.04 2.39 2.56 1ziwA1 GLN 483 HE21 0.19 -0.09 0.03 -0.04 6.97 7.06 1ziwA1 GLN 483 HE22 0.19 0.14 0.04 -0.04 7.69 8.02 1ziwA1 ARG 484 H -0.45 0.50 0.43 -0.55 8.46 8.39 1ziwA1 ARG 484 HA -0.25 0.23 1.06 -0.75 4.34 4.63 1ziwA1 ARG 484 HB2 -0.34 -0.07 0.16 -0.04 1.90 1.61 1ziwA1 ARG 484 HB3 -0.18 -0.07 0.03 -0.04 1.80 1.54 1ziwA1 ARG 484 HG2 -0.23 0.02 -0.04 -0.04 1.67 1.38 1ziwA1 ARG 484 HG3 -0.66 0.02 -0.31 -0.04 1.67 0.68 1ziwA1 ARG 484 HD2 -0.26 -0.01 -0.05 -0.04 3.22 2.86 1ziwA1 ARG 484 HD3 -0.08 -0.07 -0.04 -0.04 3.22 3.00 1ziwA1 LEU 485 H -0.22 0.56 0.21 -0.55 8.37 8.37 1ziwA1 LEU 485 HA -0.26 0.28 1.00 -0.75 4.35 4.61 1ziwA1 LEU 485 HB2 -0.38 0.07 -0.21 -0.04 1.64 1.08 1ziwA1 LEU 485 HB3 -0.33 0.02 0.13 -0.04 1.64 1.42 1ziwA1 LEU 485 HG -0.30 -0.09 -0.24 -0.04 1.64 0.97 1ziwA1 LEU 485 HD13 -0.36 0.02 -0.04 -0.04 0.93 0.51 1ziwA1 LEU 485 HD23 -0.78 0.01 -0.12 -0.04 0.89 -0.03 1ziwA1 MET 486 H -0.22 0.63 0.38 -0.55 8.47 8.70 1ziwA1 MET 486 HA -0.22 0.06 1.00 -0.75 4.52 4.60 1ziwA1 MET 486 HB2 -0.82 -0.22 0.32 -0.04 2.15 1.39 1ziwA1 MET 486 HB3 -0.45 -0.00 0.14 -0.04 2.03 1.68 1ziwA1 MET 486 HG2 -0.07 0.11 -0.11 -0.04 2.63 2.52 1ziwA1 MET 486 HG3 0.21 0.02 -0.02 -0.04 2.56 2.72 1ziwA1 MET 486 HE3 0.02 0.02 -0.10 -0.04 2.10 2.00 1ziwA1 LEU 487 H -0.19 0.68 0.22 -0.55 8.37 8.53 1ziwA1 LEU 487 HA -0.14 0.10 0.53 -0.75 4.35 4.09 1ziwA1 LEU 487 HB2 -0.05 0.12 0.09 -0.04 1.64 1.76 1ziwA1 LEU 487 HB3 0.01 -0.04 0.09 -0.04 1.64 1.66 1ziwA1 LEU 487 HG -0.08 -0.08 -0.58 -0.04 1.64 0.86 1ziwA1 LEU 487 HD13 0.15 0.01 -0.14 -0.04 0.93 0.91 1ziwA1 LEU 487 HD23 0.16 0.01 -0.11 -0.04 0.89 0.90 1ziwA1 ARG 488 H -0.32 -0.00 -0.10 -0.55 8.46 7.49 1ziwA1 ARG 488 HA -0.16 0.27 0.48 -0.75 4.34 4.18 1ziwA1 ARG 488 HB2 -0.19 -0.08 0.03 -0.04 1.90 1.61 1ziwA1 ARG 488 HB3 -0.42 -0.09 0.10 -0.04 1.80 1.35 1ziwA1 ARG 488 HG2 -0.52 0.03 -0.32 -0.04 1.67 0.81 1ziwA1 ARG 488 HG3 -0.16 0.08 -0.15 -0.04 1.67 1.40 1ziwA1 ARG 488 HD2 -0.05 -0.06 -0.05 -0.04 3.22 3.03 1ziwA1 ARG 488 HD3 -0.10 -0.03 -0.05 -0.04 3.22 3.00 1ziwA1 ARG 489 H -0.12 0.61 0.18 -0.55 8.46 8.57 1ziwA1 ARG 489 HA -0.07 0.35 0.47 -0.75 4.34 4.34 1ziwA1 ARG 489 HB2 -0.19 -0.08 -0.11 -0.04 1.90 1.48 1ziwA1 ARG 489 HB3 -0.27 -0.03 0.21 -0.04 1.80 1.67 1ziwA1 ARG 489 HG2 0.03 0.03 0.13 -0.04 1.67 1.82 1ziwA1 ARG 489 HG3 -0.01 0.08 0.16 -0.04 1.67 1.87 1ziwA1 ARG 489 HD2 0.16 -0.04 0.04 -0.04 3.22 3.34 1ziwA1 ARG 489 HD3 0.33 -0.03 0.08 -0.04 3.22 3.56 1ziwA1 VAL 490 H -0.04 0.11 -0.09 -0.55 8.24 7.66 1ziwA1 VAL 490 HA 0.01 0.43 0.77 -0.75 4.13 4.59 1ziwA1 VAL 490 HB 0.02 -0.02 -0.09 -0.04 2.12 1.99 1ziwA1 VAL 490 HG13 -0.06 -0.03 -0.46 -0.04 0.97 0.39 1ziwA1 VAL 490 HG23 0.01 0.03 -0.17 -0.04 0.95 0.78 1ziwA1 ALA 491 H 0.01 0.12 0.00 -0.55 8.40 7.99 1ziwA1 ALA 491 HA 0.02 0.07 0.34 -0.75 4.34 4.02 1ziwA1 ALA 491 HB3 0.07 0.04 0.16 -0.04 1.41 1.63 1ziwA1 LEU 492 H 0.02 -0.04 -0.07 -0.55 8.37 7.73 1ziwA1 LEU 492 HA 0.07 0.25 0.22 -0.75 4.35 4.13 1ziwA1 LEU 492 HB2 0.03 -0.02 0.05 -0.04 1.64 1.66 1ziwA1 LEU 492 HB3 0.03 -0.06 0.13 -0.04 1.64 1.70 1ziwA1 LEU 492 HG 0.07 -0.01 -0.23 -0.04 1.64 1.43 1ziwA1 LEU 492 HD13 0.12 0.05 -0.03 -0.04 0.93 1.03 1ziwA1 LEU 492 HD23 0.13 -0.00 -0.03 -0.04 0.89 0.94 1ziwA1 LYS 493 H 0.06 0.59 0.48 -0.55 8.42 9.00 1ziwA1 LYS 493 HA 0.01 0.13 1.02 -0.75 4.32 4.72 1ziwA1 LYS 493 HB2 0.03 -0.09 0.15 -0.04 1.87 1.93 1ziwA1 LYS 493 HB3 -0.00 -0.06 0.16 -0.04 1.79 1.85 1ziwA1 LYS 493 HG2 0.05 0.26 0.05 -0.04 1.46 1.78 1ziwA1 LYS 493 HG3 -0.01 -0.06 0.01 -0.04 1.46 1.35 1ziwA1 LYS 493 HD2 -0.02 -0.10 0.02 -0.04 1.69 1.55 1ziwA1 LYS 493 HD3 -0.00 0.09 -0.23 -0.04 1.68 1.50 1ziwA1 LYS 493 HE2 -0.05 -0.08 -0.00 -0.04 2.99 2.81 1ziwA1 LYS 493 HE3 -0.02 -0.01 -0.04 -0.04 2.99 2.87 1ziwA1 ASN 494 H -0.00 0.17 0.21 -0.55 8.53 8.36 1ziwA1 ASN 494 HA -0.01 -0.00 0.32 -0.75 4.76 4.31 1ziwA1 ASN 494 HB2 -0.02 0.26 0.11 -0.04 2.88 3.20 1ziwA1 ASN 494 HB3 -0.02 -0.03 0.13 -0.04 2.79 2.83 1ziwA1 ASN 494 HD21 -0.02 0.04 0.02 -0.04 7.03 7.04 1ziwA1 ASN 494 HD22 -0.02 -0.01 0.06 -0.04 7.74 7.73 1ziwA1 VAL 495 H 0.01 0.15 -0.11 -0.55 8.24 7.73 1ziwA1 VAL 495 HA -0.06 0.14 0.63 -0.75 4.13 4.08 1ziwA1 VAL 495 HB 0.17 0.02 0.08 -0.04 2.12 2.34 1ziwA1 VAL 495 HG13 0.15 0.01 -0.06 -0.04 0.97 1.03 1ziwA1 VAL 495 HG23 0.00 0.00 -0.01 -0.04 0.95 0.91 1ziwA1 ASP 496 H -0.01 -0.01 -0.22 -0.55 8.40 7.61 1ziwA1 ASP 496 HA 0.00 0.11 0.62 -0.75 4.63 4.62 1ziwA1 ASP 496 HB2 -0.00 0.02 0.00 -0.04 2.71 2.69 1ziwA1 ASP 496 HB3 -0.01 0.11 -0.19 -0.04 2.70 2.56 1ziwA1 SER 497 H -0.04 0.21 -0.77 -0.55 8.46 7.32 1ziwA1 SER 497 HA -0.02 -0.00 0.48 -0.75 4.49 4.19 1ziwA1 SER 497 HB2 -0.07 0.02 -0.10 -0.04 3.95 3.77 1ziwA1 SER 497 HB3 -0.04 -0.06 -0.01 -0.04 3.93 3.77 1ziwA1 SER 498 H -0.01 0.05 0.06 -0.55 8.46 8.01 1ziwA1 SER 498 HA 0.01 0.10 -0.07 -0.75 4.49 3.77 1ziwA1 SER 498 HB2 -0.00 0.03 0.02 -0.04 3.95 3.96 1ziwA1 SER 498 HB3 0.00 -0.00 -0.01 -0.04 3.93 3.88 1ziwA1 PRO 499 HA 0.02 0.12 0.08 -0.51 4.44 4.15 1ziwA1 PRO 499 HB2 0.00 0.12 -0.01 -0.04 2.28 2.35 1ziwA1 PRO 499 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 1ziwA1 PRO 499 HG2 -0.00 0.02 0.06 -0.04 2.03 2.06 1ziwA1 PRO 499 HG3 0.00 0.05 0.05 -0.04 2.03 2.10 1ziwA1 PRO 499 HD2 -0.01 -0.05 0.19 -0.04 3.68 3.78 1ziwA1 PRO 499 HD3 -0.00 0.08 0.00 -0.04 3.65 3.69 1ziwA1 SER 500 H 0.02 0.15 -0.14 -0.55 8.46 7.94 1ziwA1 SER 500 HA -0.04 0.20 0.30 -0.75 4.49 4.19 1ziwA1 SER 500 HB2 0.06 -0.02 0.04 -0.04 3.95 3.99 1ziwA1 SER 500 HB3 0.06 0.02 0.10 -0.04 3.93 4.07 1ziwA1 PRO 501 HA -0.11 0.11 0.49 -0.51 4.44 4.41 1ziwA1 PRO 501 HB2 -0.96 0.02 -0.06 -0.04 2.28 1.24 1ziwA1 PRO 501 HB3 -0.21 -0.01 0.12 -0.04 2.02 1.88 1ziwA1 PRO 501 HG2 -0.32 -0.01 0.11 -0.04 2.03 1.76 1ziwA1 PRO 501 HG3 -0.17 0.02 -0.06 -0.04 2.03 1.78 1ziwA1 PRO 501 HD2 -0.34 0.15 0.27 -0.04 3.68 3.72 1ziwA1 PRO 501 HD3 -0.13 0.08 0.15 -0.04 3.65 3.71 1ziwA1 PHE 502 H -0.22 0.10 -0.44 -0.55 8.34 7.22 1ziwA1 PHE 502 HA 0.04 0.14 0.60 -0.75 4.62 4.65 1ziwA1 PHE 502 HB2 0.00 0.23 -0.00 -0.04 3.15 3.34 1ziwA1 PHE 502 HB3 -0.04 0.02 0.04 -0.04 3.06 3.04 1ziwA1 PHE 502 HD2 -0.08 0.11 -0.09 -0.04 7.28 7.17 1ziwA1 PHE 502 HE2 -0.06 -0.03 -0.08 -0.04 7.38 7.17 1ziwA1 PHE 502 HZ 0.01 -0.04 -0.08 -0.04 7.32 7.18 1ziwA1 GLN 503 H 0.06 0.28 -0.35 -0.55 8.47 7.91 1ziwA1 GLN 503 HA 0.08 0.15 0.20 -0.75 4.36 4.04 1ziwA1 GLN 503 HB2 0.04 -0.08 0.05 -0.04 2.15 2.12 1ziwA1 GLN 503 HB3 0.04 0.06 -0.02 -0.04 2.02 2.05 1ziwA1 GLN 503 HG2 0.04 0.03 -0.08 -0.04 2.40 2.35 1ziwA1 GLN 503 HG3 0.04 -0.01 -0.01 -0.04 2.39 2.38 1ziwA1 GLN 503 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.91 1ziwA1 GLN 503 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 1ziwA1 PRO 504 HA 0.04 0.06 0.43 -0.51 4.44 4.46 1ziwA1 PRO 504 HB2 0.08 0.09 -0.22 -0.04 2.28 2.18 1ziwA1 PRO 504 HB3 0.05 0.01 0.08 -0.04 2.02 2.12 1ziwA1 PRO 504 HG2 0.07 -0.07 -0.13 -0.04 2.03 1.86 1ziwA1 PRO 504 HG3 0.04 -0.01 -0.03 -0.04 2.03 1.99 1ziwA1 PRO 504 HD2 0.10 0.19 -0.43 -0.04 3.68 3.49 1ziwA1 PRO 504 HD3 0.05 0.10 -0.13 -0.04 3.65 3.63 1ziwA1 LEU 505 H 0.07 0.63 -0.56 -0.55 8.37 7.97 1ziwA1 LEU 505 HA 0.00 0.17 0.41 -0.75 4.35 4.18 1ziwA1 LEU 505 HB2 0.02 0.06 0.15 -0.04 1.64 1.83 1ziwA1 LEU 505 HB3 -0.06 0.02 0.04 -0.04 1.64 1.61 1ziwA1 LEU 505 HG 0.10 -0.02 -0.16 -0.04 1.64 1.51 1ziwA1 LEU 505 HD13 -0.10 -0.05 -0.08 -0.04 0.93 0.66 1ziwA1 LEU 505 HD23 0.02 0.02 -0.24 -0.04 0.89 0.65 1ziwA1 ARG 506 H 0.01 0.36 0.05 -0.55 8.46 8.32 1ziwA1 ARG 506 HA 0.00 0.11 0.15 -0.75 4.34 3.85 1ziwA1 ARG 506 HB2 -0.00 0.00 0.03 -0.04 1.90 1.89 1ziwA1 ARG 506 HB3 0.00 -0.02 0.16 -0.04 1.80 1.90 1ziwA1 ARG 506 HG2 0.02 0.10 -0.01 -0.04 1.67 1.73 1ziwA1 ARG 506 HG3 0.01 -0.07 0.05 -0.04 1.67 1.62 1ziwA1 ARG 506 HD2 0.03 0.18 -0.02 -0.04 3.22 3.36 1ziwA1 ARG 506 HD3 0.02 -0.10 0.03 -0.04 3.22 3.14 1ziwA1 ASN 507 H -0.02 0.19 -0.33 -0.55 8.53 7.82 1ziwA1 ASN 507 HA -0.03 0.10 0.80 -0.75 4.76 4.87 1ziwA1 ASN 507 HB2 -0.03 0.18 -0.06 -0.04 2.88 2.93 1ziwA1 ASN 507 HB3 -0.02 -0.04 0.07 -0.04 2.79 2.76 1ziwA1 ASN 507 HD21 -0.00 -0.08 -0.01 -0.04 7.03 6.89 1ziwA1 ASN 507 HD22 0.00 0.09 0.01 -0.04 7.74 7.80 1ziwA1 LEU 508 H -0.05 0.43 -0.24 -0.55 8.37 7.96 1ziwA1 LEU 508 HA -0.14 0.02 0.44 -0.75 4.35 3.92 1ziwA1 LEU 508 HB2 -0.09 0.22 0.11 -0.04 1.64 1.84 1ziwA1 LEU 508 HB3 -0.09 -0.08 -0.02 -0.04 1.64 1.41 1ziwA1 LEU 508 HG -0.18 -0.07 -0.25 -0.04 1.64 1.10 1ziwA1 LEU 508 HD13 -0.22 -0.03 -0.33 -0.04 0.93 0.31 1ziwA1 LEU 508 HD23 -0.23 -0.03 -0.10 -0.04 0.89 0.49 1ziwA1 THR 509 H -0.14 0.74 0.51 -0.55 8.28 8.84 1ziwA1 THR 509 HA -0.07 0.29 0.94 -0.75 4.39 4.79 1ziwA1 THR 509 HB -0.03 -0.09 0.18 -0.04 4.32 4.33 1ziwA1 THR 509 HG23 -0.04 0.10 -0.02 -0.04 1.22 1.22 1ziwA1 ILE 510 H -0.15 0.53 0.42 -0.55 8.25 8.50 1ziwA1 ILE 510 HA -0.08 0.19 1.10 -0.75 4.18 4.64 1ziwA1 ILE 510 HB -0.12 -0.08 0.18 -0.04 1.89 1.83 1ziwA1 ILE 510 HG12 -0.03 0.05 -0.03 -0.04 1.49 1.44 1ziwA1 ILE 510 HG13 -0.07 0.03 -0.19 -0.04 1.21 0.94 1ziwA1 ILE 510 HG23 -0.06 -0.03 -0.13 -0.04 0.93 0.67 1ziwA1 ILE 510 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.79 1ziwA1 LEU 511 H -0.12 0.68 0.28 -0.55 8.37 8.67 1ziwA1 LEU 511 HA -0.24 0.28 0.92 -0.75 4.35 4.56 1ziwA1 LEU 511 HB2 -0.30 0.09 -0.09 -0.04 1.64 1.30 1ziwA1 LEU 511 HB3 -0.22 -0.01 0.15 -0.04 1.64 1.52 1ziwA1 LEU 511 HG -0.37 -0.11 -0.28 -0.04 1.64 0.85 1ziwA1 LEU 511 HD13 -0.56 0.04 -0.02 -0.04 0.93 0.35 1ziwA1 LEU 511 HD23 -0.82 0.01 -0.09 -0.04 0.89 -0.05 1ziwA1 ASP 512 H -0.18 0.60 0.32 -0.55 8.40 8.59 1ziwA1 ASP 512 HA -0.10 0.09 1.14 -0.75 4.63 5.01 1ziwA1 ASP 512 HB2 -0.09 0.07 0.06 -0.04 2.71 2.71 1ziwA1 ASP 512 HB3 -0.16 -0.18 0.33 -0.04 2.70 2.65 1ziwA1 LEU 513 H -0.09 0.82 0.30 -0.55 8.37 8.85 1ziwA1 LEU 513 HA -0.08 0.22 0.83 -0.75 4.35 4.56 1ziwA1 LEU 513 HB2 -0.09 0.07 0.11 -0.04 1.64 1.69 1ziwA1 LEU 513 HB3 -0.05 -0.05 0.17 -0.04 1.64 1.66 1ziwA1 LEU 513 HG -0.22 -0.02 -0.27 -0.04 1.64 1.09 1ziwA1 LEU 513 HD13 -0.14 0.00 -0.07 -0.04 0.93 0.68 1ziwA1 LEU 513 HD23 -0.10 0.02 -0.15 -0.04 0.89 0.62 1ziwA1 SER 514 H -0.07 -0.05 -0.23 -0.55 8.46 7.57 1ziwA1 SER 514 HA -0.02 0.19 0.09 -0.75 4.49 4.00 1ziwA1 SER 514 HB2 0.04 0.11 -0.01 -0.04 3.95 4.04 1ziwA1 SER 514 HB3 -0.01 -0.15 -0.06 -0.04 3.93 3.68 1ziwA1 ASN 515 H 0.04 0.72 0.25 -0.55 8.53 9.00 1ziwA1 ASN 515 HA 0.03 0.24 0.55 -0.75 4.76 4.83 1ziwA1 ASN 515 HB2 -0.06 0.02 -0.30 -0.04 2.88 2.49 1ziwA1 ASN 515 HB3 -0.05 0.01 0.26 -0.04 2.79 2.97 1ziwA1 ASN 515 HD21 -0.37 -0.01 -0.01 -0.04 7.03 6.59 1ziwA1 ASN 515 HD22 -0.18 0.03 0.05 -0.04 7.74 7.60 1ziwA1 ASN 516 H -0.02 0.17 0.04 -0.55 8.53 8.17 1ziwA1 ASN 516 HA -0.02 0.14 1.09 -0.75 4.76 5.22 1ziwA1 ASN 516 HB2 -0.03 0.14 0.08 -0.04 2.88 3.03 1ziwA1 ASN 516 HB3 -0.01 0.04 0.17 -0.04 2.79 2.95 1ziwA1 ASN 516 HD21 -0.06 0.57 0.08 -0.04 7.03 7.58 1ziwA1 ASN 516 HD22 -0.04 0.34 -0.15 -0.04 7.74 7.86 1ziwA1 ASN 517 H -0.01 0.32 0.15 -0.55 8.53 8.44 1ziwA1 ASN 517 HA -0.03 0.01 0.22 -0.75 4.76 4.20 1ziwA1 ASN 517 HB2 -0.02 0.16 -0.01 -0.04 2.88 2.97 1ziwA1 ASN 517 HB3 -0.03 -0.02 0.16 -0.04 2.79 2.86 1ziwA1 ASN 517 HD21 -0.01 0.02 -0.08 -0.04 7.03 6.92 1ziwA1 ASN 517 HD22 -0.01 0.04 -0.15 -0.04 7.74 7.58 1ziwA1 ILE 518 H -0.05 0.03 -0.11 -0.55 8.25 7.56 1ziwA1 ILE 518 HA -0.05 0.13 0.47 -0.75 4.18 3.97 1ziwA1 ILE 518 HB -0.09 -0.04 0.08 -0.04 1.89 1.80 1ziwA1 ILE 518 HG12 -0.02 0.08 0.02 -0.04 1.49 1.53 1ziwA1 ILE 518 HG13 -0.03 -0.03 -0.10 -0.04 1.21 1.01 1ziwA1 ILE 518 HG23 -0.09 -0.01 -0.25 -0.04 0.93 0.55 1ziwA1 ILE 518 HD13 -0.03 0.02 0.02 -0.04 0.88 0.86 1ziwA1 ALA 519 H -0.05 0.10 0.26 -0.55 8.40 8.16 1ziwA1 ALA 519 HA -0.09 0.30 0.73 -0.75 4.34 4.52 1ziwA1 ALA 519 HB3 -0.05 0.01 0.10 -0.04 1.41 1.42 1ziwA1 ASN 520 H -0.05 0.02 0.13 -0.55 8.53 8.08 1ziwA1 ASN 520 HA -0.04 0.27 0.94 -0.75 4.76 5.18 1ziwA1 ASN 520 HB2 -0.03 -0.10 0.17 -0.04 2.88 2.88 1ziwA1 ASN 520 HB3 -0.02 0.07 -0.02 -0.04 2.79 2.79 1ziwA1 ASN 520 HD21 -0.02 0.02 -0.07 -0.04 7.03 6.91 1ziwA1 ASN 520 HD22 -0.02 0.10 -0.06 -0.04 7.74 7.72 1ziwA1 ILE 521 H -0.05 0.36 0.16 -0.55 8.25 8.18 1ziwA1 ILE 521 HA -0.05 0.11 0.69 -0.75 4.18 4.17 1ziwA1 ILE 521 HB -0.26 -0.00 -0.03 -0.04 1.89 1.56 1ziwA1 ILE 521 HG12 -0.16 0.03 -0.09 -0.04 1.49 1.24 1ziwA1 ILE 521 HG13 -0.20 -0.09 -0.52 -0.04 1.21 0.35 1ziwA1 ILE 521 HG23 -0.23 0.03 -0.16 -0.04 0.93 0.53 1ziwA1 ILE 521 HD13 -0.60 0.01 -0.12 -0.04 0.88 0.13 1ziwA1 ASN 522 H 0.03 0.17 0.09 -0.55 8.53 8.27 1ziwA1 ASN 522 HA 0.07 0.22 0.75 -0.75 4.76 5.04 1ziwA1 ASN 522 HB2 0.05 0.01 -0.00 -0.04 2.88 2.90 1ziwA1 ASN 522 HB3 0.06 -0.05 0.07 -0.04 2.79 2.82 1ziwA1 ASN 522 HD21 0.01 0.22 -0.14 -0.04 7.03 7.08 1ziwA1 ASN 522 HD22 0.02 0.14 -0.17 -0.04 7.74 7.69 1ziwA1 ASP 523 H 0.11 0.22 0.12 -0.55 8.40 8.30 1ziwA1 ASP 523 HA 0.23 0.07 0.13 -0.75 4.63 4.30 1ziwA1 ASP 523 HB2 0.17 0.10 -0.02 -0.04 2.71 2.92 1ziwA1 ASP 523 HB3 0.17 -0.03 0.06 -0.04 2.70 2.85 1ziwA1 ASP 524 H 0.09 0.07 -0.28 -0.55 8.40 7.73 1ziwA1 ASP 524 HA 0.10 0.22 0.79 -0.75 4.63 4.99 1ziwA1 ASP 524 HB2 0.06 0.02 0.15 -0.04 2.71 2.91 1ziwA1 ASP 524 HB3 0.07 0.02 0.02 -0.04 2.70 2.76 1ziwA1 MET 525 H 0.12 0.41 -0.45 -0.55 8.47 8.00 1ziwA1 MET 525 HA 0.12 0.02 0.35 -0.75 4.52 4.25 1ziwA1 MET 525 HB2 0.08 -0.09 0.13 -0.04 2.15 2.23 1ziwA1 MET 525 HB3 0.11 0.06 0.05 -0.04 2.03 2.21 1ziwA1 MET 525 HG2 0.27 0.04 -0.18 -0.04 2.63 2.72 1ziwA1 MET 525 HG3 0.22 0.06 0.11 -0.04 2.56 2.91 1ziwA1 MET 525 HE3 -0.10 0.01 -0.09 -0.04 2.10 1.88 1ziwA1 LEU 526 H 0.14 0.16 -0.31 -0.55 8.37 7.82 1ziwA1 LEU 526 HA 0.11 0.22 0.68 -0.75 4.35 4.61 1ziwA1 LEU 526 HB2 0.12 0.14 -0.01 -0.04 1.64 1.85 1ziwA1 LEU 526 HB3 0.06 0.02 0.06 -0.04 1.64 1.74 1ziwA1 LEU 526 HG 0.10 -0.14 -0.22 -0.04 1.64 1.34 1ziwA1 LEU 526 HD13 0.10 0.04 -0.07 -0.04 0.93 0.96 1ziwA1 LEU 526 HD23 -0.07 0.03 -0.18 -0.04 0.89 0.63 1ziwA1 GLU 527 H 0.10 0.22 -0.44 -0.55 8.60 7.93 1ziwA1 GLU 527 HA 0.07 0.05 0.48 -0.75 4.29 4.14 1ziwA1 GLU 527 HB2 0.07 -0.08 0.11 -0.04 2.09 2.15 1ziwA1 GLU 527 HB3 0.06 0.08 0.06 -0.04 1.99 2.16 1ziwA1 GLU 527 HG2 0.04 0.06 -0.21 -0.04 2.34 2.19 1ziwA1 GLU 527 HG3 0.05 -0.04 0.04 -0.04 2.34 2.35 1ziwA1 GLY 528 H 0.05 0.10 0.13 -0.55 8.43 8.17 1ziwA1 GLY 528 HA2 0.03 -0.03 0.35 -0.51 4.01 3.85 1ziwA1 GLY 528 HA3 0.04 0.14 0.48 -0.51 4.01 4.16 1ziwA1 LEU 529 H 0.04 0.41 -0.45 -0.55 8.37 7.83 1ziwA1 LEU 529 HA 0.01 0.23 0.73 -0.75 4.35 4.57 1ziwA1 LEU 529 HB2 0.03 0.24 0.05 -0.04 1.64 1.92 1ziwA1 LEU 529 HB3 -0.00 -0.11 0.16 -0.04 1.64 1.64 1ziwA1 LEU 529 HG -0.01 0.10 -0.05 -0.04 1.64 1.64 1ziwA1 LEU 529 HD13 0.05 0.08 -0.44 -0.04 0.93 0.58 1ziwA1 LEU 529 HD23 -0.00 -0.05 -0.07 -0.04 0.89 0.73 1ziwA1 GLU 530 H 0.02 0.33 -0.32 -0.55 8.60 8.08 1ziwA1 GLU 530 HA 0.06 0.06 0.39 -0.75 4.29 4.05 1ziwA1 GLU 530 HB2 0.02 0.07 0.06 -0.04 2.09 2.20 1ziwA1 GLU 530 HB3 0.06 -0.01 0.05 -0.04 1.99 2.06 1ziwA1 GLU 530 HG2 0.06 -0.03 0.07 -0.04 2.34 2.40 1ziwA1 GLU 530 HG3 0.07 0.16 0.13 -0.04 2.34 2.66 1ziwA1 LYS 531 H -0.03 0.19 -0.32 -0.55 8.42 7.70 1ziwA1 LYS 531 HA -0.14 0.10 0.76 -0.75 4.32 4.29 1ziwA1 LYS 531 HB2 -0.06 0.17 -0.05 -0.04 1.87 1.89 1ziwA1 LYS 531 HB3 -0.08 -0.04 0.05 -0.04 1.79 1.68 1ziwA1 LYS 531 HG2 -0.16 -0.05 -0.04 -0.04 1.46 1.17 1ziwA1 LYS 531 HG3 -0.07 -0.05 -0.02 -0.04 1.46 1.28 1ziwA1 LYS 531 HD2 -0.04 0.08 0.08 -0.04 1.69 1.76 1ziwA1 LYS 531 HD3 -0.06 -0.04 0.02 -0.04 1.68 1.55 1ziwA1 LYS 531 HE2 -0.07 -0.06 -0.01 -0.04 2.99 2.81 1ziwA1 LYS 531 HE3 -0.04 0.02 -0.01 -0.04 2.99 2.91 1ziwA1 LEU 532 H -0.02 0.32 -0.35 -0.55 8.37 7.78 1ziwA1 LEU 532 HA -0.06 0.06 0.19 -0.75 4.35 3.78 1ziwA1 LEU 532 HB2 -0.03 0.08 0.02 -0.04 1.64 1.66 1ziwA1 LEU 532 HB3 -0.01 -0.05 -0.01 -0.04 1.64 1.52 1ziwA1 LEU 532 HG -0.05 -0.08 -0.37 -0.04 1.64 1.09 1ziwA1 LEU 532 HD13 -0.11 -0.03 -0.39 -0.04 0.93 0.37 1ziwA1 LEU 532 HD23 -0.04 -0.03 -0.12 -0.04 0.89 0.66 1ziwA1 GLU 533 H -0.06 0.63 0.43 -0.55 8.60 9.05 1ziwA1 GLU 533 HA -0.20 0.28 0.96 -0.75 4.29 4.58 1ziwA1 GLU 533 HB2 -0.01 0.02 0.23 -0.04 2.09 2.29 1ziwA1 GLU 533 HB3 0.02 -0.14 0.15 -0.04 1.99 1.98 1ziwA1 GLU 533 HG2 -0.29 0.23 -0.04 -0.04 2.34 2.21 1ziwA1 GLU 533 HG3 -0.07 0.37 -0.06 -0.04 2.34 2.53 1ziwA1 ILE 534 H -0.04 0.51 0.39 -0.55 8.25 8.55 1ziwA1 ILE 534 HA 0.01 0.24 1.08 -0.75 4.18 4.75 1ziwA1 ILE 534 HB -0.02 -0.05 0.21 -0.04 1.89 2.00 1ziwA1 ILE 534 HG12 0.04 0.01 -0.01 -0.04 1.49 1.50 1ziwA1 ILE 534 HG13 0.03 0.01 -0.31 -0.04 1.21 0.90 1ziwA1 ILE 534 HG23 0.00 -0.03 -0.10 -0.04 0.93 0.76 1ziwA1 ILE 534 HD13 0.03 -0.00 -0.03 -0.04 0.88 0.84 1ziwA1 LEU 535 H 0.01 0.66 0.32 -0.55 8.37 8.82 1ziwA1 LEU 535 HA -0.05 0.29 1.02 -0.75 4.35 4.85 1ziwA1 LEU 535 HB2 0.01 0.08 -0.10 -0.04 1.64 1.59 1ziwA1 LEU 535 HB3 0.05 -0.02 0.16 -0.04 1.64 1.80 1ziwA1 LEU 535 HG 0.05 -0.11 -0.34 -0.04 1.64 1.20 1ziwA1 LEU 535 HD13 -0.07 0.03 -0.05 -0.04 0.93 0.79 1ziwA1 LEU 535 HD23 0.15 0.01 -0.11 -0.04 0.89 0.90 1ziwA1 ASP 536 H -0.05 0.62 0.34 -0.55 8.40 8.76 1ziwA1 ASP 536 HA 0.02 0.08 1.05 -0.75 4.63 5.02 1ziwA1 ASP 536 HB2 -0.04 -0.15 0.35 -0.04 2.71 2.83 1ziwA1 ASP 536 HB3 -0.00 -0.04 0.11 -0.04 2.70 2.73 1ziwA1 LEU 537 H 0.03 0.74 0.30 -0.55 8.37 8.89 1ziwA1 LEU 537 HA -0.04 0.12 0.63 -0.75 4.35 4.30 1ziwA1 LEU 537 HB2 0.06 0.12 0.03 -0.04 1.64 1.80 1ziwA1 LEU 537 HB3 -0.05 -0.05 0.12 -0.04 1.64 1.62 1ziwA1 LEU 537 HG -0.03 -0.04 -0.44 -0.04 1.64 1.08 1ziwA1 LEU 537 HD13 0.04 0.01 -0.13 -0.04 0.93 0.81 1ziwA1 LEU 537 HD23 -0.14 0.01 -0.04 -0.04 0.89 0.67 1ziwA1 GLN 538 H 0.02 -0.06 0.00 -0.55 8.47 7.89 1ziwA1 GLN 538 HA -0.03 0.36 0.34 -0.75 4.36 4.26 1ziwA1 GLN 538 HB2 -0.09 0.07 -0.02 -0.04 2.15 2.07 1ziwA1 GLN 538 HB3 0.02 -0.16 -0.01 -0.04 2.02 1.83 1ziwA1 GLN 538 HG2 0.16 -0.02 -0.25 -0.04 2.40 2.24 1ziwA1 GLN 538 HG3 0.15 0.04 -0.09 -0.04 2.39 2.45 1ziwA1 GLN 538 HE21 0.05 0.01 -0.01 -0.04 6.97 6.97 1ziwA1 GLN 538 HE22 0.09 0.06 -0.05 -0.04 7.69 7.76 1ziwA1 HIS 539 H -0.23 0.54 0.16 -0.55 8.41 8.33 1ziwA1 HIS 539 HA -0.05 0.34 0.55 -0.75 4.63 4.72 1ziwA1 HIS 539 HB2 -0.02 -0.06 0.06 -0.04 3.26 3.20 1ziwA1 HIS 539 HB3 -0.03 -0.02 0.32 -0.04 3.20 3.44 1ziwA1 HIS 539 HD2 0.01 -0.07 -0.15 -0.04 6.97 6.71 1ziwA1 HIS 539 HE1 -0.00 0.02 0.02 -0.04 7.75 7.74 1ziwA1 ASN 540 H -0.10 0.23 0.03 -0.55 8.53 8.15 1ziwA1 ASN 540 HA -0.05 -0.10 0.75 -0.75 4.76 4.61 1ziwA1 ASN 540 HB2 -0.12 0.18 0.08 -0.04 2.88 2.98 1ziwA1 ASN 540 HB3 -0.12 0.14 0.25 -0.04 2.79 3.02 1ziwA1 ASN 540 HD21 -0.05 0.22 -0.14 -0.04 7.03 7.02 1ziwA1 ASN 540 HD22 -0.06 0.33 -0.17 -0.04 7.74 7.79 1ziwA1 ASN 541 H -0.12 0.89 0.06 -0.55 8.53 8.81 1ziwA1 ASN 541 HA -0.17 0.19 0.92 -0.75 4.76 4.95 1ziwA1 ASN 541 HB2 -0.08 0.06 -0.23 -0.04 2.88 2.58 1ziwA1 ASN 541 HB3 -0.09 -0.05 0.15 -0.04 2.79 2.76 1ziwA1 ASN 541 HD21 -0.04 0.02 -0.12 -0.04 7.03 6.85 1ziwA1 ASN 541 HD22 -0.05 0.12 -0.19 -0.04 7.74 7.58 1ziwA1 LEU 542 H -0.37 0.18 -0.00 -0.55 8.37 7.63 1ziwA1 LEU 542 HA -0.17 0.21 0.43 -0.75 4.35 4.06 1ziwA1 LEU 542 HB2 -0.44 0.02 0.03 -0.04 1.64 1.21 1ziwA1 LEU 542 HB3 -0.20 -0.01 0.10 -0.04 1.64 1.49 1ziwA1 LEU 542 HG -0.23 -0.08 -0.00 -0.04 1.64 1.28 1ziwA1 LEU 542 HD13 -0.21 0.02 -0.03 -0.04 0.93 0.66 1ziwA1 LEU 542 HD23 -0.24 0.01 -0.26 -0.04 0.89 0.36 1ziwA1 ALA 543 H -0.32 0.29 -0.20 -0.55 8.40 7.62 1ziwA1 ALA 543 HA -0.08 -0.04 0.14 -0.75 4.34 3.61 1ziwA1 ALA 543 HB3 -0.08 0.02 -0.06 -0.04 1.41 1.24 1ziwA1 ARG 544 H -0.03 0.18 -0.13 -0.55 8.46 7.93 1ziwA1 ARG 544 HA 0.05 0.02 0.44 -0.75 4.34 4.09 1ziwA1 ARG 544 HB2 -0.01 -0.00 0.11 -0.04 1.90 1.96 1ziwA1 ARG 544 HB3 -0.00 0.08 0.07 -0.04 1.80 1.91 1ziwA1 ARG 544 HG2 0.02 0.01 -0.08 -0.04 1.67 1.59 1ziwA1 ARG 544 HG3 0.01 -0.03 0.04 -0.04 1.67 1.64 1ziwA1 ARG 544 HD2 -0.00 0.03 -0.01 -0.04 3.22 3.19 1ziwA1 ARG 544 HD3 0.00 0.03 -0.01 -0.04 3.22 3.21 1ziwA1 LEU 545 H 0.04 0.36 -0.16 -0.55 8.37 8.06 1ziwA1 LEU 545 HA 0.10 0.08 0.35 -0.75 4.35 4.13 1ziwA1 LEU 545 HB2 0.03 0.08 0.08 -0.04 1.64 1.79 1ziwA1 LEU 545 HB3 0.18 -0.07 0.16 -0.04 1.64 1.87 1ziwA1 LEU 545 HG -0.03 0.04 0.16 -0.04 1.64 1.77 1ziwA1 LEU 545 HD13 -0.06 -0.02 0.03 -0.04 0.93 0.84 1ziwA1 LEU 545 HD23 0.02 0.01 0.09 -0.04 0.89 0.98 1ziwA1 TRP 546 H 0.34 0.33 -0.42 -0.55 7.97 7.67 1ziwA1 TRP 546 HA -0.11 0.09 0.85 -0.75 4.62 4.70 1ziwA1 TRP 546 HB2 0.20 0.05 0.09 -0.04 3.23 3.53 1ziwA1 TRP 546 HB3 -0.11 0.03 0.15 -0.04 3.23 3.25 1ziwA1 TRP 546 HD1 -0.12 0.12 -0.30 -0.04 7.22 6.88 1ziwA1 TRP 546 HE1 -0.60 0.19 0.12 -0.04 10.20 9.87 1ziwA1 TRP 546 HE3 -0.99 0.06 0.08 -0.04 7.59 6.70 1ziwA1 TRP 546 HZ2 -0.83 -0.02 -0.04 -0.04 7.44 6.51 1ziwA1 TRP 546 HZ3 -0.53 -0.02 -0.04 -0.04 7.13 6.50 1ziwA1 TRP 546 HH2 -0.05 0.01 -0.08 -0.04 7.19 7.03 1ziwA1 LYS 547 H 0.17 0.41 -0.11 -0.55 8.42 8.33 1ziwA1 LYS 547 HA 0.11 0.05 0.70 -0.75 4.32 4.43 1ziwA1 LYS 547 HB2 0.02 0.13 0.11 -0.04 1.87 2.09 1ziwA1 LYS 547 HB3 -0.04 -0.14 0.03 -0.04 1.79 1.61 1ziwA1 LYS 547 HG2 0.09 -0.03 -0.02 -0.04 1.46 1.46 1ziwA1 LYS 547 HG3 0.11 0.21 0.03 -0.04 1.46 1.77 1ziwA1 LYS 547 HD2 0.04 -0.02 -0.09 -0.04 1.69 1.58 1ziwA1 LYS 547 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 1ziwA1 LYS 547 HE2 -0.00 0.02 -0.02 -0.04 2.99 2.94 1ziwA1 LYS 547 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.84 1ziwA1 HIS 548 H 0.11 0.13 0.13 -0.55 8.41 8.24 1ziwA1 HIS 548 HA -0.01 0.14 0.29 -0.75 4.63 4.30 1ziwA1 HIS 548 HB2 -0.01 0.03 0.11 -0.04 3.26 3.36 1ziwA1 HIS 548 HB3 -0.02 -0.01 0.10 -0.04 3.20 3.23 1ziwA1 HIS 548 HD2 -0.00 0.03 -0.11 -0.04 6.97 6.85 1ziwA1 HIS 548 HE1 0.01 0.02 0.03 -0.04 7.75 7.76 1ziwA1 ALA 549 H -0.39 -0.04 -0.25 -0.55 8.40 7.18 1ziwA1 ALA 549 HA -0.11 0.13 0.49 -0.75 4.34 4.10 1ziwA1 ALA 549 HB3 -0.18 -0.01 -0.01 -0.04 1.41 1.17 1ziwA1 ASN 550 H -0.02 0.39 -0.49 -0.55 8.53 7.87 1ziwA1 ASN 550 HA 0.00 -0.02 0.41 -0.75 4.76 4.40 1ziwA1 ASN 550 HB2 0.05 0.22 0.08 -0.04 2.88 3.19 1ziwA1 ASN 550 HB3 0.03 -0.04 -0.34 -0.04 2.79 2.40 1ziwA1 ASN 550 HD21 0.05 -0.12 -0.05 -0.04 7.03 6.87 1ziwA1 ASN 550 HD22 0.05 0.19 -0.15 -0.04 7.74 7.79 1ziwA1 PRO 551 HA 0.01 0.00 0.58 -0.51 4.44 4.52 1ziwA1 PRO 551 HB2 0.01 0.00 0.09 -0.04 2.28 2.34 1ziwA1 PRO 551 HB3 0.01 -0.01 0.10 -0.04 2.02 2.07 1ziwA1 PRO 551 HG2 0.00 -0.02 0.10 -0.04 2.03 2.07 1ziwA1 PRO 551 HG3 -0.00 0.05 0.12 -0.04 2.03 2.16 1ziwA1 PRO 551 HD2 0.01 0.04 0.21 -0.04 3.68 3.89 1ziwA1 PRO 551 HD3 -0.01 0.16 0.24 -0.04 3.65 4.01 1ziwA1 GLY 552 H 0.02 0.09 0.15 -0.55 8.43 8.14 1ziwA1 GLY 552 HA2 0.03 -0.07 0.35 -0.51 4.01 3.81 1ziwA1 GLY 552 HA3 0.03 0.12 0.66 -0.51 4.01 4.31 1ziwA1 GLY 553 H 0.03 0.43 -0.39 -0.55 8.43 7.95 1ziwA1 GLY 553 HA2 0.04 0.11 0.33 -0.51 4.01 3.98 1ziwA1 GLY 553 HA3 0.06 0.03 0.68 -0.51 4.01 4.26 1ziwA1 PRO 554 HA 0.02 0.28 0.32 -0.51 4.44 4.56 1ziwA1 PRO 554 HB2 -0.68 -0.10 -0.09 -0.04 2.28 1.37 1ziwA1 PRO 554 HB3 -0.16 0.03 0.06 -0.04 2.02 1.90 1ziwA1 PRO 554 HG2 -0.08 -0.11 0.02 -0.04 2.03 1.82 1ziwA1 PRO 554 HG3 -0.02 0.06 -0.13 -0.04 2.03 1.90 1ziwA1 PRO 554 HD2 0.06 0.05 0.15 -0.04 3.68 3.90 1ziwA1 PRO 554 HD3 0.04 0.17 0.24 -0.04 3.65 4.06 1ziwA1 ILE 555 H 0.15 0.62 0.29 -0.55 8.25 8.76 1ziwA1 ILE 555 HA 0.06 0.14 0.80 -0.75 4.18 4.44 1ziwA1 ILE 555 HB 0.32 -0.06 0.16 -0.04 1.89 2.27 1ziwA1 ILE 555 HG12 0.11 0.09 0.06 -0.04 1.49 1.71 1ziwA1 ILE 555 HG13 0.10 -0.00 0.10 -0.04 1.21 1.37 1ziwA1 ILE 555 HG23 0.25 0.00 -0.28 -0.04 0.93 0.87 1ziwA1 ILE 555 HD13 0.08 0.01 -0.04 -0.04 0.88 0.89 1ziwA1 TYR 556 H 0.15 0.24 0.07 -0.55 8.29 8.20 1ziwA1 TYR 556 HA -0.11 0.10 0.59 -0.75 4.56 4.39 1ziwA1 TYR 556 HB2 -0.02 0.03 0.18 -0.04 3.06 3.21 1ziwA1 TYR 556 HB3 -0.09 -0.02 0.12 -0.04 2.98 2.95 1ziwA1 TYR 556 HD2 -0.16 0.03 -0.12 -0.04 7.15 6.86 1ziwA1 TYR 556 HE2 -0.19 -0.07 -0.14 -0.04 6.85 6.40 1ziwA1 PHE 557 H -0.10 0.41 -0.13 -0.55 8.34 7.96 1ziwA1 PHE 557 HA 0.13 0.31 0.44 -0.75 4.62 4.74 1ziwA1 PHE 557 HB2 0.09 -0.03 0.06 -0.04 3.15 3.24 1ziwA1 PHE 557 HB3 0.10 0.01 -0.16 -0.04 3.06 2.97 1ziwA1 PHE 557 HD2 0.11 0.02 -0.21 -0.04 7.28 7.16 1ziwA1 PHE 557 HE2 -0.21 -0.01 -0.09 -0.04 7.38 7.03 1ziwA1 PHE 557 HZ -0.51 -0.03 -0.07 -0.04 7.32 6.67 1ziwA1 LEU 558 H -0.12 0.06 -0.35 -0.55 8.37 7.42 1ziwA1 LEU 558 HA 0.15 0.24 0.81 -0.75 4.35 4.78 1ziwA1 LEU 558 HB2 -0.01 0.28 0.09 -0.04 1.64 1.96 1ziwA1 LEU 558 HB3 0.11 -0.02 0.12 -0.04 1.64 1.81 1ziwA1 LEU 558 HG -0.31 -0.13 -0.17 -0.04 1.64 0.98 1ziwA1 LEU 558 HD13 0.32 0.01 -0.08 -0.04 0.93 1.13 1ziwA1 LEU 558 HD23 0.31 0.03 -0.12 -0.04 0.89 1.06 1ziwA1 LYS 559 H 0.09 0.31 -0.29 -0.55 8.42 7.97 1ziwA1 LYS 559 HA 0.01 -0.06 0.35 -0.75 4.32 3.87 1ziwA1 LYS 559 HB2 0.01 -0.05 0.05 -0.04 1.87 1.85 1ziwA1 LYS 559 HB3 0.05 0.03 0.12 -0.04 1.79 1.94 1ziwA1 LYS 559 HG2 0.10 0.13 0.07 -0.04 1.46 1.72 1ziwA1 LYS 559 HG3 0.06 -0.05 -0.16 -0.04 1.46 1.26 1ziwA1 LYS 559 HD2 0.06 -0.06 -0.05 -0.04 1.69 1.60 1ziwA1 LYS 559 HD3 0.03 -0.06 0.00 -0.04 1.68 1.62 1ziwA1 LYS 559 HE2 0.17 0.73 0.25 -0.04 2.99 4.10 1ziwA1 LYS 559 HE3 0.13 -0.07 -0.05 -0.04 2.99 2.96 1ziwA1 GLY 560 H 0.02 0.08 0.13 -0.55 8.43 8.12 1ziwA1 GLY 560 HA2 0.05 0.01 0.33 -0.51 4.01 3.90 1ziwA1 GLY 560 HA3 0.05 0.07 0.33 -0.51 4.01 3.95 1ziwA1 LEU 561 H 0.05 0.28 -0.46 -0.55 8.37 7.69 1ziwA1 LEU 561 HA 0.06 0.16 0.41 -0.75 4.35 4.22 1ziwA1 LEU 561 HB2 0.06 -0.01 0.06 -0.04 1.64 1.71 1ziwA1 LEU 561 HB3 0.04 0.02 0.01 -0.04 1.64 1.67 1ziwA1 LEU 561 HG 0.08 0.11 -0.39 -0.04 1.64 1.40 1ziwA1 LEU 561 HD13 0.10 -0.02 -0.04 -0.04 0.93 0.93 1ziwA1 LEU 561 HD23 0.05 0.00 -0.15 -0.04 0.89 0.75 1ziwA1 SER 562 H 0.09 0.43 0.13 -0.55 8.46 8.57 1ziwA1 SER 562 HA 0.06 0.17 0.20 -0.75 4.49 4.17 1ziwA1 SER 562 HB2 0.05 -0.02 0.11 -0.04 3.95 4.05 1ziwA1 SER 562 HB3 0.12 -0.06 0.06 -0.04 3.93 4.01 1ziwA1 HIS 563 H 0.13 0.18 -0.20 -0.55 8.41 7.98 1ziwA1 HIS 563 HA -0.05 0.12 0.80 -0.75 4.63 4.74 1ziwA1 HIS 563 HB2 -0.08 0.22 -0.01 -0.04 3.26 3.36 1ziwA1 HIS 563 HB3 -0.17 -0.04 0.05 -0.04 3.20 2.99 1ziwA1 HIS 563 HD2 0.01 -0.03 -0.03 -0.04 6.97 6.88 1ziwA1 HIS 563 HE1 0.04 -0.05 -0.01 -0.04 7.75 7.68 1ziwA1 LEU 564 H -0.02 0.27 -0.36 -0.55 8.37 7.71 1ziwA1 LEU 564 HA -0.11 0.08 0.44 -0.75 4.35 4.01 1ziwA1 LEU 564 HB2 0.01 0.04 0.01 -0.04 1.64 1.67 1ziwA1 LEU 564 HB3 0.02 -0.08 -0.03 -0.04 1.64 1.51 1ziwA1 LEU 564 HG 0.03 -0.05 -0.34 -0.04 1.64 1.23 1ziwA1 LEU 564 HD13 0.00 -0.03 -0.40 -0.04 0.93 0.47 1ziwA1 LEU 564 HD23 0.08 -0.03 -0.12 -0.04 0.89 0.77 1ziwA1 HIS 565 H -0.04 0.64 0.46 -0.55 8.41 8.93 1ziwA1 HIS 565 HA 0.00 0.20 0.89 -0.75 4.63 4.97 1ziwA1 HIS 565 HB2 0.02 0.05 0.25 -0.04 3.26 3.54 1ziwA1 HIS 565 HB3 0.01 -0.13 0.12 -0.04 3.20 3.15 1ziwA1 HIS 565 HD2 0.01 0.26 -0.31 -0.04 6.97 6.88 1ziwA1 HIS 565 HE1 0.08 -0.07 0.03 -0.04 7.75 7.75 1ziwA1 ILE 566 H 0.07 0.63 0.45 -0.55 8.25 8.85 1ziwA1 ILE 566 HA 0.04 0.23 1.14 -0.75 4.18 4.84 1ziwA1 ILE 566 HB 0.04 -0.04 0.22 -0.04 1.89 2.07 1ziwA1 ILE 566 HG12 0.04 0.02 -0.03 -0.04 1.49 1.48 1ziwA1 ILE 566 HG13 0.08 0.00 -0.26 -0.04 1.21 1.00 1ziwA1 ILE 566 HG23 0.03 -0.03 -0.13 -0.04 0.93 0.76 1ziwA1 ILE 566 HD13 0.04 -0.01 -0.03 -0.04 0.88 0.84 1ziwA1 LEU 567 H 0.03 0.66 0.30 -0.55 8.37 8.81 1ziwA1 LEU 567 HA 0.06 0.27 1.01 -0.75 4.35 4.93 1ziwA1 LEU 567 HB2 0.06 0.08 -0.11 -0.04 1.64 1.63 1ziwA1 LEU 567 HB3 0.02 0.03 0.18 -0.04 1.64 1.82 1ziwA1 LEU 567 HG 0.14 -0.13 -0.28 -0.04 1.64 1.33 1ziwA1 LEU 567 HD13 0.18 0.03 -0.10 -0.04 0.93 0.99 1ziwA1 LEU 567 HD23 0.18 0.01 -0.09 -0.04 0.89 0.95 1ziwA1 ASN 568 H 0.06 0.62 0.31 -0.55 8.53 8.96 1ziwA1 ASN 568 HA 0.07 0.11 1.11 -0.75 4.76 5.30 1ziwA1 ASN 568 HB2 0.04 0.07 0.07 -0.04 2.88 3.02 1ziwA1 ASN 568 HB3 0.04 -0.16 0.32 -0.04 2.79 2.95 1ziwA1 ASN 568 HD21 0.05 0.03 -0.00 -0.04 7.03 7.07 1ziwA1 ASN 568 HD22 0.05 0.05 0.01 -0.04 7.74 7.80 1ziwA1 LEU 569 H 0.12 0.79 0.32 -0.55 8.37 9.05 1ziwA1 LEU 569 HA 0.14 0.13 0.61 -0.75 4.35 4.48 1ziwA1 LEU 569 HB2 0.26 0.08 0.07 -0.04 1.64 2.01 1ziwA1 LEU 569 HB3 0.44 -0.05 0.12 -0.04 1.64 2.11 1ziwA1 LEU 569 HG 0.22 -0.06 -0.42 -0.04 1.64 1.33 1ziwA1 LEU 569 HD13 0.46 0.01 -0.11 -0.04 0.93 1.25 1ziwA1 LEU 569 HD23 0.22 0.01 -0.07 -0.04 0.89 1.01 1ziwA1 GLU 570 H 0.05 -0.07 -0.09 -0.55 8.60 7.95 1ziwA1 GLU 570 HA 0.05 0.34 0.17 -0.75 4.29 4.10 1ziwA1 GLU 570 HB2 -0.03 -0.12 0.03 -0.04 2.09 1.93 1ziwA1 GLU 570 HB3 -0.08 0.06 -0.07 -0.04 1.99 1.86 1ziwA1 GLU 570 HG2 0.04 0.08 -0.18 -0.04 2.34 2.24 1ziwA1 GLU 570 HG3 0.05 -0.08 -0.10 -0.04 2.34 2.16 1ziwA1 SER 571 H -0.05 0.46 0.10 -0.55 8.46 8.42 1ziwA1 SER 571 HA -0.13 0.38 0.60 -0.75 4.49 4.60 1ziwA1 SER 571 HB2 -0.76 -0.17 0.00 -0.04 3.95 2.98 1ziwA1 SER 571 HB3 -0.32 0.04 0.21 -0.04 3.93 3.82 1ziwA1 ASN 572 H -0.17 0.08 0.13 -0.55 8.53 8.03 1ziwA1 ASN 572 HA -0.27 0.50 0.93 -0.75 4.76 5.16 1ziwA1 ASN 572 HB2 -0.66 0.16 -0.02 -0.04 2.88 2.32 1ziwA1 ASN 572 HB3 -1.26 -0.17 0.07 -0.04 2.79 1.38 1ziwA1 ASN 572 HD21 -0.08 0.49 0.00 -0.04 7.03 7.41 1ziwA1 ASN 572 HD22 -0.05 0.22 -0.38 -0.04 7.74 7.49 1ziwA1 GLY 573 H -0.14 0.16 0.17 -0.55 8.43 8.08 1ziwA1 GLY 573 HA2 -0.06 0.08 0.32 -0.51 4.01 3.84 1ziwA1 GLY 573 HA3 -0.12 0.12 0.46 -0.51 4.01 3.95 1ziwA1 PHE 574 H -0.24 0.01 -0.31 -0.55 8.34 7.25 1ziwA1 PHE 574 HA 0.07 0.08 0.44 -0.75 4.62 4.46 1ziwA1 PHE 574 HB2 0.13 -0.06 0.06 -0.04 3.15 3.24 1ziwA1 PHE 574 HB3 0.21 0.09 -0.05 -0.04 3.06 3.28 1ziwA1 PHE 574 HD2 0.11 0.06 0.01 -0.04 7.28 7.41 1ziwA1 PHE 574 HE2 -0.38 0.10 -0.09 -0.04 7.38 6.97 1ziwA1 PHE 574 HZ -0.69 0.01 -0.07 -0.04 7.32 6.53 1ziwA1 ASP 575 H 0.22 0.18 0.18 -0.55 8.40 8.43 1ziwA1 ASP 575 HA 0.15 0.15 0.30 -0.75 4.63 4.48 1ziwA1 ASP 575 HB2 0.08 -0.02 0.28 -0.04 2.71 3.02 1ziwA1 ASP 575 HB3 0.08 0.06 0.05 -0.04 2.70 2.85 1ziwA1 GLU 576 H 0.25 0.27 0.05 -0.55 8.60 8.62 1ziwA1 GLU 576 HA 0.07 0.14 0.52 -0.75 4.29 4.27 1ziwA1 GLU 576 HB2 0.15 -0.03 -0.10 -0.04 2.09 2.07 1ziwA1 GLU 576 HB3 0.08 0.06 -0.01 -0.04 1.99 2.08 1ziwA1 GLU 576 HG2 0.10 0.04 0.16 -0.04 2.34 2.60 1ziwA1 GLU 576 HG3 0.11 0.09 -0.27 -0.04 2.34 2.22 1ziwA1 ILE 577 H -0.07 0.26 0.10 -0.55 8.25 7.99 1ziwA1 ILE 577 HA -0.36 0.18 0.78 -0.75 4.18 4.03 1ziwA1 ILE 577 HB -0.23 -0.04 0.09 -0.04 1.89 1.67 1ziwA1 ILE 577 HG12 0.01 0.11 -0.16 -0.04 1.49 1.41 1ziwA1 ILE 577 HG13 0.03 -0.09 -0.36 -0.04 1.21 0.74 1ziwA1 ILE 577 HG23 -0.70 0.05 -0.08 -0.04 0.93 0.16 1ziwA1 ILE 577 HD13 0.16 -0.00 -0.11 -0.04 0.88 0.89 1ziwA1 PRO 578 HA -0.23 0.06 0.58 -0.51 4.44 4.35 1ziwA1 PRO 578 HB2 -0.47 -0.10 -0.00 -0.04 2.28 1.67 1ziwA1 PRO 578 HB3 -0.21 0.06 0.07 -0.04 2.02 1.90 1ziwA1 PRO 578 HG2 -0.76 0.05 0.05 -0.04 2.03 1.34 1ziwA1 PRO 578 HG3 -0.27 0.20 -0.00 -0.04 2.03 1.92 1ziwA1 PRO 578 HD2 -1.62 0.03 0.19 -0.04 3.68 2.25 1ziwA1 PRO 578 HD3 -0.51 0.26 0.18 -0.04 3.65 3.54 1ziwA1 VAL 579 H -0.17 0.15 0.17 -0.55 8.24 7.84 1ziwA1 VAL 579 HA -0.29 0.11 0.25 -0.75 4.13 3.45 1ziwA1 VAL 579 HB -0.16 -0.01 0.11 -0.04 2.12 2.02 1ziwA1 VAL 579 HG13 -0.12 -0.00 0.03 -0.04 0.97 0.84 1ziwA1 VAL 579 HG23 -0.15 0.02 -0.12 -0.04 0.95 0.65 1ziwA1 GLU 580 H -0.14 0.02 -0.37 -0.55 8.60 7.57 1ziwA1 GLU 580 HA -0.21 0.27 0.70 -0.75 4.29 4.29 1ziwA1 GLU 580 HB2 -0.33 0.01 -0.04 -0.04 2.09 1.70 1ziwA1 GLU 580 HB3 -0.30 0.01 0.12 -0.04 1.99 1.78 1ziwA1 GLU 580 HG2 -0.15 -0.11 -0.08 -0.04 2.34 1.96 1ziwA1 GLU 580 HG3 -0.23 0.04 -0.02 -0.04 2.34 2.08 1ziwA1 VAL 581 H -0.55 0.44 -0.30 -0.55 8.24 7.28 1ziwA1 VAL 581 HA -0.21 0.04 0.27 -0.75 4.13 3.48 1ziwA1 VAL 581 HB -1.14 -0.03 -0.02 -0.04 2.12 0.88 1ziwA1 VAL 581 HG13 -1.54 -0.01 -0.00 -0.04 0.97 -0.63 1ziwA1 VAL 581 HG23 -2.13 0.09 -0.07 -0.04 0.95 -1.20 1ziwA1 PHE 582 H -0.55 0.24 -0.22 -0.55 8.34 7.27 1ziwA1 PHE 582 HA -0.12 0.21 0.81 -0.75 4.62 4.76 1ziwA1 PHE 582 HB2 -0.11 0.16 0.03 -0.04 3.15 3.19 1ziwA1 PHE 582 HB3 -0.05 0.02 0.11 -0.04 3.06 3.10 1ziwA1 PHE 582 HD2 -0.12 0.15 -0.09 -0.04 7.28 7.18 1ziwA1 PHE 582 HE2 -0.01 -0.02 -0.12 -0.04 7.38 7.18 1ziwA1 PHE 582 HZ 0.06 -0.03 -0.10 -0.04 7.32 7.20 1ziwA1 LYS 583 H -0.16 0.36 -0.42 -0.55 8.42 7.65 1ziwA1 LYS 583 HA -0.18 0.08 0.13 -0.75 4.32 3.59 1ziwA1 LYS 583 HB2 -0.13 0.00 0.07 -0.04 1.87 1.77 1ziwA1 LYS 583 HB3 -0.17 0.01 0.09 -0.04 1.79 1.67 1ziwA1 LYS 583 HG2 -0.17 0.19 0.07 -0.04 1.46 1.50 1ziwA1 LYS 583 HG3 -0.12 -0.04 -0.18 -0.04 1.46 1.08 1ziwA1 LYS 583 HD2 -0.08 0.00 -0.06 -0.04 1.69 1.52 1ziwA1 LYS 583 HD3 -0.13 -0.02 0.01 -0.04 1.68 1.49 1ziwA1 LYS 583 HE2 -0.21 -0.01 -0.00 -0.04 2.99 2.73 1ziwA1 LYS 583 HE3 -0.12 -0.02 -0.03 -0.04 2.99 2.77 1ziwA1 ASP 584 H -0.13 0.09 -0.38 -0.55 8.40 7.43 1ziwA1 ASP 584 HA -0.29 0.21 0.71 -0.75 4.63 4.50 1ziwA1 ASP 584 HB2 -0.03 0.08 -0.00 -0.04 2.71 2.72 1ziwA1 ASP 584 HB3 0.02 0.02 0.04 -0.04 2.70 2.75 1ziwA1 LEU 585 H -0.24 0.52 -0.47 -0.55 8.37 7.63 1ziwA1 LEU 585 HA -0.05 0.25 0.31 -0.75 4.35 4.10 1ziwA1 LEU 585 HB2 -0.01 0.03 0.12 -0.04 1.64 1.74 1ziwA1 LEU 585 HB3 0.00 0.03 0.03 -0.04 1.64 1.66 1ziwA1 LEU 585 HG 0.06 -0.17 -0.11 -0.04 1.64 1.39 1ziwA1 LEU 585 HD13 0.20 -0.01 -0.02 -0.04 0.93 1.06 1ziwA1 LEU 585 HD23 0.04 0.04 -0.18 -0.04 0.89 0.75 1ziwA1 PHE 586 H -0.05 0.41 -0.02 -0.55 8.34 8.12 1ziwA1 PHE 586 HA 0.00 0.24 0.39 -0.75 4.62 4.50 1ziwA1 PHE 586 HB2 -0.04 0.05 0.09 -0.04 3.15 3.21 1ziwA1 PHE 586 HB3 -0.02 -0.03 0.06 -0.04 3.06 3.03 1ziwA1 PHE 586 HD2 -0.01 0.06 0.08 -0.04 7.28 7.36 1ziwA1 PHE 586 HE2 -0.01 -0.07 0.05 -0.04 7.38 7.31 1ziwA1 PHE 586 HZ -0.01 -0.06 0.04 -0.04 7.32 7.24 1ziwA1 GLU 587 H 0.08 0.19 -0.12 -0.55 8.60 8.20 1ziwA1 GLU 587 HA 0.08 0.13 0.81 -0.75 4.29 4.56 1ziwA1 GLU 587 HB2 0.06 0.12 -0.06 -0.04 2.09 2.17 1ziwA1 GLU 587 HB3 0.26 -0.07 0.06 -0.04 1.99 2.20 1ziwA1 GLU 587 HG2 0.02 -0.05 -0.07 -0.04 2.34 2.20 1ziwA1 GLU 587 HG3 -0.05 0.09 0.08 -0.04 2.34 2.42 1ziwA1 LEU 588 H 0.04 0.19 -0.42 -0.55 8.37 7.62 1ziwA1 LEU 588 HA 0.07 0.09 0.31 -0.75 4.35 4.06 1ziwA1 LEU 588 HB2 -0.01 0.01 0.01 -0.04 1.64 1.61 1ziwA1 LEU 588 HB3 -0.04 -0.04 -0.04 -0.04 1.64 1.49 1ziwA1 LEU 588 HG -0.04 -0.06 -0.37 -0.04 1.64 1.13 1ziwA1 LEU 588 HD13 0.02 -0.02 -0.41 -0.04 0.93 0.48 1ziwA1 LEU 588 HD23 -0.14 -0.04 -0.11 -0.04 0.89 0.56 1ziwA1 LYS 589 H 0.05 0.50 0.43 -0.55 8.42 8.84 1ziwA1 LYS 589 HA -0.04 0.30 0.89 -0.75 4.32 4.72 1ziwA1 LYS 589 HB2 -0.02 0.01 0.23 -0.04 1.87 2.05 1ziwA1 LYS 589 HB3 -0.06 -0.13 0.14 -0.04 1.79 1.70 1ziwA1 LYS 589 HG2 -0.06 0.18 -0.05 -0.04 1.46 1.50 1ziwA1 LYS 589 HG3 -0.07 0.20 0.10 -0.04 1.46 1.65 1ziwA1 LYS 589 HD2 -0.16 -0.10 0.06 -0.04 1.69 1.44 1ziwA1 LYS 589 HD3 -0.11 -0.03 0.06 -0.04 1.68 1.56 1ziwA1 LYS 589 HE2 -0.15 0.00 0.03 -0.04 2.99 2.84 1ziwA1 LYS 589 HE3 -0.38 0.11 0.05 -0.04 2.99 2.72 1ziwA1 ILE 590 H 0.00 0.59 0.38 -0.55 8.25 8.67 1ziwA1 ILE 590 HA -0.03 0.23 1.01 -0.75 4.18 4.64 1ziwA1 ILE 590 HB 0.01 -0.08 0.23 -0.04 1.89 2.02 1ziwA1 ILE 590 HG12 -0.02 0.03 -0.04 -0.04 1.49 1.42 1ziwA1 ILE 590 HG13 -0.01 -0.01 -0.26 -0.04 1.21 0.89 1ziwA1 ILE 590 HG23 0.01 -0.03 -0.14 -0.04 0.93 0.74 1ziwA1 ILE 590 HD13 0.01 -0.01 -0.03 -0.04 0.88 0.81 1ziwA1 ILE 591 H -0.05 0.62 0.33 -0.55 8.25 8.60 1ziwA1 ILE 591 HA -0.02 0.27 0.95 -0.75 4.18 4.63 1ziwA1 ILE 591 HB -0.16 0.08 -0.04 -0.04 1.89 1.73 1ziwA1 ILE 591 HG12 -0.01 -0.10 -0.26 -0.04 1.49 1.08 1ziwA1 ILE 591 HG13 -0.06 0.07 0.06 -0.04 1.21 1.25 1ziwA1 ILE 591 HG23 -0.17 -0.00 0.04 -0.04 0.93 0.76 1ziwA1 ILE 591 HD13 -0.45 0.00 -0.10 -0.04 0.88 0.29 1ziwA1 ASP 592 H 0.04 0.77 0.31 -0.55 8.40 8.98 1ziwA1 ASP 592 HA 0.06 0.10 0.98 -0.75 4.63 5.02 1ziwA1 ASP 592 HB2 0.06 -0.16 0.37 -0.04 2.71 2.93 1ziwA1 ASP 592 HB3 0.06 -0.03 0.11 -0.04 2.70 2.80 1ziwA1 LEU 593 H 0.10 0.82 0.26 -0.55 8.37 9.00 1ziwA1 LEU 593 HA 0.19 0.14 0.64 -0.75 4.35 4.56 1ziwA1 LEU 593 HB2 0.18 0.13 0.05 -0.04 1.64 1.95 1ziwA1 LEU 593 HB3 0.23 -0.04 0.09 -0.04 1.64 1.87 1ziwA1 LEU 593 HG 0.17 -0.05 -0.29 -0.04 1.64 1.44 1ziwA1 LEU 593 HD13 0.30 0.01 -0.12 -0.04 0.93 1.09 1ziwA1 LEU 593 HD23 0.33 0.01 -0.03 -0.04 0.89 1.16 1ziwA1 GLY 594 H 0.09 -0.04 -0.10 -0.55 8.43 7.83 1ziwA1 GLY 594 HA2 0.08 0.20 0.18 -0.51 4.01 3.96 1ziwA1 GLY 594 HA3 0.06 -0.07 0.19 -0.51 4.01 3.68 1ziwA1 LEU 595 H 0.04 0.69 0.14 -0.55 8.37 8.69 1ziwA1 LEU 595 HA 0.01 0.35 0.46 -0.75 4.35 4.42 1ziwA1 LEU 595 HB2 -0.04 -0.09 -0.02 -0.04 1.64 1.46 1ziwA1 LEU 595 HB3 -0.03 0.02 0.25 -0.04 1.64 1.84 1ziwA1 LEU 595 HG -0.00 0.10 0.05 -0.04 1.64 1.75 1ziwA1 LEU 595 HD13 0.03 -0.01 -0.16 -0.04 0.93 0.76 1ziwA1 LEU 595 HD23 0.00 -0.00 -0.02 -0.04 0.89 0.83 1ziwA1 ASN 596 H 0.07 0.16 -0.19 -0.55 8.53 8.03 1ziwA1 ASN 596 HA 0.03 -0.05 0.72 -0.75 4.76 4.71 1ziwA1 ASN 596 HB2 0.18 0.21 0.04 -0.04 2.88 3.27 1ziwA1 ASN 596 HB3 0.22 0.07 0.18 -0.04 2.79 3.21 1ziwA1 ASN 596 HD21 0.23 0.43 -0.04 -0.04 7.03 7.61 1ziwA1 ASN 596 HD22 0.23 0.39 -0.19 -0.04 7.74 8.13 1ziwA1 ASN 597 H 0.11 0.53 0.01 -0.55 8.53 8.63 1ziwA1 ASN 597 HA 0.05 0.19 0.82 -0.75 4.76 5.06 1ziwA1 ASN 597 HB2 0.06 0.07 -0.07 -0.04 2.88 2.90 1ziwA1 ASN 597 HB3 0.04 -0.01 0.14 -0.04 2.79 2.92 1ziwA1 ASN 597 HD21 -0.00 -0.01 -0.06 -0.04 7.03 6.92 1ziwA1 ASN 597 HD22 0.02 0.07 -0.06 -0.04 7.74 7.73 1ziwA1 LEU 598 H 0.12 0.06 -0.22 -0.55 8.37 7.78 1ziwA1 LEU 598 HA 0.12 0.12 0.59 -0.75 4.35 4.42 1ziwA1 LEU 598 HB2 0.16 -0.03 -0.07 -0.04 1.64 1.66 1ziwA1 LEU 598 HB3 0.15 0.06 -0.25 -0.04 1.64 1.56 1ziwA1 LEU 598 HG 0.22 -0.01 -0.13 -0.04 1.64 1.69 1ziwA1 LEU 598 HD13 0.22 0.02 -0.11 -0.04 0.93 1.02 1ziwA1 LEU 598 HD23 0.18 0.00 -0.40 -0.04 0.89 0.63 1ziwA1 ASN 599 H 0.09 0.16 0.00 -0.55 8.53 8.24 1ziwA1 ASN 599 HA 0.10 0.10 0.42 -0.75 4.76 4.63 1ziwA1 ASN 599 HB2 0.05 0.20 0.01 -0.04 2.88 3.10 1ziwA1 ASN 599 HB3 0.06 -0.12 0.21 -0.04 2.79 2.90 1ziwA1 ASN 599 HD21 0.05 -0.05 0.04 -0.04 7.03 7.03 1ziwA1 ASN 599 HD22 0.05 0.02 0.06 -0.04 7.74 7.83 1ziwA1 THR 600 H 0.07 0.16 0.16 -0.55 8.28 8.12 1ziwA1 THR 600 HA 0.07 0.04 0.37 -0.75 4.39 4.11 1ziwA1 THR 600 HB 0.03 0.03 0.15 -0.04 4.32 4.49 1ziwA1 THR 600 HG23 0.01 0.00 -0.14 -0.04 1.22 1.04 1ziwA1 LEU 601 H 0.04 0.16 0.21 -0.55 8.37 8.23 1ziwA1 LEU 601 HA -0.07 0.19 0.78 -0.75 4.35 4.50 1ziwA1 LEU 601 HB2 -0.07 -0.08 0.05 -0.04 1.64 1.50 1ziwA1 LEU 601 HB3 -0.24 0.07 -0.02 -0.04 1.64 1.41 1ziwA1 LEU 601 HG 0.11 0.10 -0.36 -0.04 1.64 1.44 1ziwA1 LEU 601 HD13 0.11 -0.01 -0.13 -0.04 0.93 0.86 1ziwA1 LEU 601 HD23 -0.00 0.05 -0.12 -0.04 0.89 0.77 1ziwA1 PRO 602 HA -0.09 0.06 0.66 -0.51 4.44 4.56 1ziwA1 PRO 602 HB2 -0.14 0.14 0.03 -0.04 2.28 2.27 1ziwA1 PRO 602 HB3 -0.12 0.00 0.11 -0.04 2.02 1.98 1ziwA1 PRO 602 HG2 -0.24 -0.01 0.02 -0.04 2.03 1.76 1ziwA1 PRO 602 HG3 -0.20 0.09 0.07 -0.04 2.03 1.95 1ziwA1 PRO 602 HD2 -0.24 0.05 0.18 -0.04 3.68 3.63 1ziwA1 PRO 602 HD3 -0.14 0.16 0.20 -0.04 3.65 3.82 1ziwA1 ALA 603 H -0.08 0.09 0.16 -0.55 8.40 8.02 1ziwA1 ALA 603 HA -0.09 0.10 0.34 -0.75 4.34 3.93 1ziwA1 ALA 603 HB3 -0.05 0.00 0.10 -0.04 1.41 1.43 1ziwA1 SER 604 H -0.10 0.39 0.41 -0.55 8.46 8.61 1ziwA1 SER 604 HA -0.06 0.03 0.38 -0.75 4.49 4.08 1ziwA1 SER 604 HB2 -0.09 0.30 0.25 -0.04 3.95 4.37 1ziwA1 SER 604 HB3 -0.07 -0.03 0.14 -0.04 3.93 3.93 1ziwA1 VAL 605 H -0.23 0.34 -0.18 -0.55 8.24 7.62 1ziwA1 VAL 605 HA -0.25 0.27 0.45 -0.75 4.13 3.84 1ziwA1 VAL 605 HB -0.35 0.13 0.07 -0.04 2.12 1.93 1ziwA1 VAL 605 HG13 -0.96 -0.03 -0.05 -0.04 0.97 -0.12 1ziwA1 VAL 605 HG23 -0.44 -0.01 -0.05 -0.04 0.95 0.40 1ziwA1 PHE 606 H -0.16 0.10 -0.17 -0.55 8.34 7.57 1ziwA1 PHE 606 HA -0.00 0.23 0.80 -0.75 4.62 4.89 1ziwA1 PHE 606 HB2 -0.10 0.10 0.02 -0.04 3.15 3.12 1ziwA1 PHE 606 HB3 -0.05 0.06 0.09 -0.04 3.06 3.12 1ziwA1 PHE 606 HD2 -0.24 0.10 -0.10 -0.04 7.28 7.00 1ziwA1 PHE 606 HE2 -0.36 -0.02 -0.13 -0.04 7.38 6.82 1ziwA1 PHE 606 HZ 0.02 -0.03 -0.13 -0.04 7.32 7.14 1ziwA1 ASN 607 H -0.01 0.41 -0.46 -0.55 8.53 7.92 1ziwA1 ASN 607 HA 0.04 0.06 0.27 -0.75 4.76 4.38 1ziwA1 ASN 607 HB2 -0.02 0.29 0.14 -0.04 2.88 3.24 1ziwA1 ASN 607 HB3 0.01 0.02 -0.03 -0.04 2.79 2.75 1ziwA1 ASN 607 HD21 -0.00 -0.04 0.02 -0.04 7.03 6.96 1ziwA1 ASN 607 HD22 0.00 0.04 0.02 -0.04 7.74 7.75 1ziwA1 ASN 608 H -0.01 0.13 -0.37 -0.55 8.53 7.73 1ziwA1 ASN 608 HA 0.09 0.18 0.76 -0.75 4.76 5.04 1ziwA1 ASN 608 HB2 -0.25 0.01 -0.06 -0.04 2.88 2.54 1ziwA1 ASN 608 HB3 -0.65 -0.00 0.05 -0.04 2.79 2.14 1ziwA1 ASN 608 HD21 0.03 -0.11 0.01 -0.04 7.03 6.92 1ziwA1 ASN 608 HD22 -0.25 0.56 0.19 -0.04 7.74 8.20 1ziwA1 GLN 609 H 0.05 0.35 -0.48 -0.55 8.47 7.85 1ziwA1 GLN 609 HA -0.00 0.23 0.43 -0.75 4.36 4.26 1ziwA1 GLN 609 HB2 0.05 0.10 0.14 -0.04 2.15 2.40 1ziwA1 GLN 609 HB3 -0.03 -0.02 0.09 -0.04 2.02 2.03 1ziwA1 GLN 609 HG2 0.16 -0.12 -0.04 -0.04 2.40 2.35 1ziwA1 GLN 609 HG3 0.13 -0.09 -0.01 -0.04 2.39 2.38 1ziwA1 GLN 609 HE21 -0.05 0.25 0.05 -0.04 6.97 7.19 1ziwA1 GLN 609 HE22 -0.07 -0.08 -0.05 -0.04 7.69 7.45 1ziwA1 VAL 610 H 0.10 0.53 0.05 -0.55 8.24 8.37 1ziwA1 VAL 610 HA 0.04 0.05 0.01 -0.75 4.13 3.48 1ziwA1 VAL 610 HB 0.05 -0.05 0.07 -0.04 2.12 2.15 1ziwA1 VAL 610 HG13 0.11 -0.01 -0.06 -0.04 0.97 0.96 1ziwA1 VAL 610 HG23 0.13 0.03 0.00 -0.04 0.95 1.07 1ziwA1 SER 611 H 0.03 0.14 -0.30 -0.55 8.46 7.78 1ziwA1 SER 611 HA -0.01 0.14 0.93 -0.75 4.49 4.79 1ziwA1 SER 611 HB2 0.02 0.11 -0.31 -0.04 3.95 3.72 1ziwA1 SER 611 HB3 -0.01 -0.11 0.07 -0.04 3.93 3.84 1ziwA1 LEU 612 H -0.03 0.28 -0.21 -0.55 8.37 7.87 1ziwA1 LEU 612 HA -0.07 0.04 0.28 -0.75 4.35 3.85 1ziwA1 LEU 612 HB2 -0.07 -0.01 0.04 -0.04 1.64 1.56 1ziwA1 LEU 612 HB3 -0.08 0.06 0.09 -0.04 1.64 1.67 1ziwA1 LEU 612 HG -0.12 -0.05 -0.36 -0.04 1.64 1.06 1ziwA1 LEU 612 HD13 -0.11 -0.04 -0.36 -0.04 0.93 0.37 1ziwA1 LEU 612 HD23 -0.23 -0.02 -0.07 -0.04 0.89 0.52 1ziwA1 LYS 613 H -0.09 0.54 0.49 -0.55 8.42 8.80 1ziwA1 LYS 613 HA -0.19 0.24 0.91 -0.75 4.32 4.52 1ziwA1 LYS 613 HB2 -0.09 0.01 0.19 -0.04 1.87 1.94 1ziwA1 LYS 613 HB3 -0.13 -0.17 0.14 -0.04 1.79 1.59 1ziwA1 LYS 613 HG2 -0.08 0.18 0.14 -0.04 1.46 1.65 1ziwA1 LYS 613 HG3 -0.09 -0.11 0.07 -0.04 1.46 1.29 1ziwA1 LYS 613 HD2 -0.13 0.16 -0.17 -0.04 1.69 1.50 1ziwA1 LYS 613 HD3 -0.09 0.07 -0.10 -0.04 1.68 1.52 1ziwA1 LYS 613 HE2 -0.09 -0.08 0.03 -0.04 2.99 2.81 1ziwA1 LYS 613 HE3 -0.13 -0.16 0.09 -0.04 2.99 2.74 1ziwA1 SER 614 H -0.08 0.64 0.44 -0.55 8.46 8.91 1ziwA1 SER 614 HA -0.08 0.36 1.01 -0.75 4.49 5.01 1ziwA1 SER 614 HB2 -0.02 -0.10 0.19 -0.04 3.95 3.98 1ziwA1 SER 614 HB3 0.01 -0.07 -0.03 -0.04 3.93 3.81 1ziwA1 LEU 615 H -0.01 0.50 0.21 -0.55 8.37 8.52 1ziwA1 LEU 615 HA -0.05 0.16 0.98 -0.75 4.35 4.68 1ziwA1 LEU 615 HB2 -0.07 0.14 -0.09 -0.04 1.64 1.58 1ziwA1 LEU 615 HB3 0.08 -0.00 0.13 -0.04 1.64 1.80 1ziwA1 LEU 615 HG 0.16 -0.12 -0.34 -0.04 1.64 1.29 1ziwA1 LEU 615 HD13 -0.24 0.01 -0.11 -0.04 0.93 0.54 1ziwA1 LEU 615 HD23 0.27 0.01 -0.14 -0.04 0.89 0.99 1ziwA1 ASN 616 H 0.04 0.69 0.28 -0.55 8.53 8.99 1ziwA1 ASN 616 HA 0.11 0.16 1.12 -0.75 4.76 5.39 1ziwA1 ASN 616 HB2 0.06 -0.07 0.32 -0.04 2.88 3.15 1ziwA1 ASN 616 HB3 0.07 -0.08 0.15 -0.04 2.79 2.89 1ziwA1 ASN 616 HD21 0.04 0.04 -0.17 -0.04 7.03 6.89 1ziwA1 ASN 616 HD22 0.04 -0.00 -0.16 -0.04 7.74 7.57 1ziwA1 LEU 617 H 0.12 0.76 0.30 -0.55 8.37 9.02 1ziwA1 LEU 617 HA 0.14 0.12 0.43 -0.75 4.35 4.28 1ziwA1 LEU 617 HB2 0.23 0.02 -0.02 -0.04 1.64 1.83 1ziwA1 LEU 617 HB3 0.20 -0.00 0.09 -0.04 1.64 1.90 1ziwA1 LEU 617 HG 0.21 0.01 -0.43 -0.04 1.64 1.39 1ziwA1 LEU 617 HD13 0.51 0.01 -0.17 -0.04 0.93 1.25 1ziwA1 LEU 617 HD23 0.28 0.02 -0.11 -0.04 0.89 1.04 1ziwA1 GLN 618 H 0.05 0.07 0.05 -0.55 8.47 8.09 1ziwA1 GLN 618 HA -0.08 -0.03 0.17 -0.75 4.36 3.67 1ziwA1 GLN 618 HB2 0.04 -0.00 0.03 -0.04 2.15 2.17 1ziwA1 GLN 618 HB3 -0.04 -0.02 0.03 -0.04 2.02 1.95 1ziwA1 GLN 618 HG2 0.06 -0.03 -0.15 -0.04 2.40 2.24 1ziwA1 GLN 618 HG3 0.10 0.09 -0.05 -0.04 2.39 2.49 1ziwA1 GLN 618 HE21 0.06 0.02 -0.01 -0.04 6.97 6.99 1ziwA1 GLN 618 HE22 0.06 0.07 -0.04 -0.04 7.69 7.75 1ziwA1 LYS 619 H 0.01 -0.01 0.01 -0.55 8.42 7.87 1ziwA1 LYS 619 HA 0.03 0.40 0.43 -0.75 4.32 4.43 1ziwA1 LYS 619 HB2 0.03 -0.09 -0.11 -0.04 1.87 1.66 1ziwA1 LYS 619 HB3 -0.01 0.09 0.23 -0.04 1.79 2.06 1ziwA1 LYS 619 HG2 0.10 0.12 0.08 -0.04 1.46 1.72 1ziwA1 LYS 619 HG3 0.17 -0.21 -0.18 -0.04 1.46 1.20 1ziwA1 LYS 619 HD2 -0.03 -0.01 0.00 -0.04 1.69 1.61 1ziwA1 LYS 619 HD3 -0.19 0.08 0.03 -0.04 1.68 1.55 1ziwA1 LYS 619 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.94 1ziwA1 LYS 619 HE3 0.08 -0.08 -0.06 -0.04 2.99 2.89 1ziwA1 ASN 620 H -0.01 0.02 -0.15 -0.55 8.53 7.84 1ziwA1 ASN 620 HA 0.03 0.48 0.91 -0.75 4.76 5.43 1ziwA1 ASN 620 HB2 0.06 0.07 0.03 -0.04 2.88 3.00 1ziwA1 ASN 620 HB3 0.07 0.12 0.19 -0.04 2.79 3.14 1ziwA1 ASN 620 HD21 0.13 0.36 -0.15 -0.04 7.03 7.33 1ziwA1 ASN 620 HD22 0.10 0.27 -0.29 -0.04 7.74 7.78 1ziwA1 LEU 621 H 0.04 0.42 0.02 -0.55 8.37 8.31 1ziwA1 LEU 621 HA -0.03 0.21 0.87 -0.75 4.35 4.65 1ziwA1 LEU 621 HB2 0.04 -0.00 -0.27 -0.04 1.64 1.36 1ziwA1 LEU 621 HB3 0.01 -0.03 0.10 -0.04 1.64 1.68 1ziwA1 LEU 621 HG 0.02 -0.07 -0.20 -0.04 1.64 1.35 1ziwA1 LEU 621 HD13 0.02 0.02 -0.02 -0.04 0.93 0.91 1ziwA1 LEU 621 HD23 -0.01 0.06 -0.08 -0.04 0.89 0.83 1ziwA1 ILE 622 H -0.05 0.03 -0.24 -0.55 8.25 7.44 1ziwA1 ILE 622 HA 0.07 -0.01 0.57 -0.75 4.18 4.06 1ziwA1 ILE 622 HB -0.03 -0.04 0.04 -0.04 1.89 1.83 1ziwA1 ILE 622 HG12 0.20 0.09 -0.10 -0.04 1.49 1.63 1ziwA1 ILE 622 HG13 0.10 0.02 -0.04 -0.04 1.21 1.24 1ziwA1 ILE 622 HG23 0.19 -0.04 -0.13 -0.04 0.93 0.91 1ziwA1 ILE 622 HD13 0.23 -0.00 -0.05 -0.04 0.88 1.01 1ziwA1 THR 623 H 0.07 0.06 0.24 -0.55 8.28 8.10 1ziwA1 THR 623 HA 0.05 0.46 0.76 -0.75 4.39 4.90 1ziwA1 THR 623 HB 0.07 -0.07 0.08 -0.04 4.32 4.36 1ziwA1 THR 623 HG23 0.03 0.12 -0.02 -0.04 1.22 1.30 1ziwA1 SER 624 H 0.14 0.16 0.09 -0.55 8.46 8.31 1ziwA1 SER 624 HA 0.14 0.15 0.79 -0.75 4.49 4.82 1ziwA1 SER 624 HB2 0.09 0.15 0.11 -0.04 3.95 4.26 1ziwA1 SER 624 HB3 0.09 -0.02 -0.17 -0.04 3.93 3.79 1ziwA1 VAL 625 H 0.08 0.36 -0.07 -0.55 8.24 8.06 1ziwA1 VAL 625 HA -0.10 0.14 0.70 -0.75 4.13 4.11 1ziwA1 VAL 625 HB -0.05 -0.02 0.09 -0.04 2.12 2.11 1ziwA1 VAL 625 HG13 -0.59 0.01 -0.06 -0.04 0.97 0.29 1ziwA1 VAL 625 HG23 0.05 0.01 -0.37 -0.04 0.95 0.60 1ziwA1 GLU 626 H 0.25 0.14 -0.01 -0.55 8.60 8.43 1ziwA1 GLU 626 HA 0.07 0.24 0.74 -0.75 4.29 4.59 1ziwA1 GLU 626 HB2 0.11 -0.03 0.04 -0.04 2.09 2.17 1ziwA1 GLU 626 HB3 0.06 -0.04 0.08 -0.04 1.99 2.06 1ziwA1 GLU 626 HG2 0.08 0.07 -0.06 -0.04 2.34 2.39 1ziwA1 GLU 626 HG3 0.10 0.00 -0.01 -0.04 2.34 2.40 1ziwA1 LYS 627 H 0.05 0.24 0.17 -0.55 8.42 8.32 1ziwA1 LYS 627 HA 0.03 0.07 0.31 -0.75 4.32 3.97 1ziwA1 LYS 627 HB2 0.03 -0.00 0.16 -0.04 1.87 2.01 1ziwA1 LYS 627 HB3 0.03 0.06 0.06 -0.04 1.79 1.90 1ziwA1 LYS 627 HG2 0.03 -0.00 0.08 -0.04 1.46 1.52 1ziwA1 LYS 627 HG3 0.03 0.07 0.04 -0.04 1.46 1.56 1ziwA1 LYS 627 HD2 0.04 0.04 0.01 -0.04 1.69 1.74 1ziwA1 LYS 627 HD3 0.02 -0.07 -0.05 -0.04 1.68 1.54 1ziwA1 LYS 627 HE2 0.08 0.07 -0.05 -0.04 2.99 3.05 1ziwA1 LYS 627 HE3 0.05 0.04 -0.06 -0.04 2.99 2.98 1ziwA1 LYS 628 H 0.03 0.09 -0.11 -0.55 8.42 7.87 1ziwA1 LYS 628 HA -0.00 0.13 0.30 -0.75 4.32 3.99 1ziwA1 LYS 628 HB2 -0.02 0.01 0.11 -0.04 1.87 1.93 1ziwA1 LYS 628 HB3 0.00 0.05 0.10 -0.04 1.79 1.90 1ziwA1 LYS 628 HG2 0.03 -0.13 -0.03 -0.04 1.46 1.29 1ziwA1 LYS 628 HG3 0.00 0.03 -0.16 -0.04 1.46 1.30 1ziwA1 LYS 628 HD2 -0.01 0.03 0.02 -0.04 1.69 1.69 1ziwA1 LYS 628 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 1ziwA1 LYS 628 HE2 0.02 0.00 0.00 -0.04 2.99 2.98 1ziwA1 LYS 628 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 1ziwA1 VAL 629 H 0.02 0.23 -0.58 -0.55 8.24 7.36 1ziwA1 VAL 629 HA -0.15 -0.00 0.90 -0.75 4.13 4.13 1ziwA1 VAL 629 HB -0.17 0.03 0.06 -0.04 2.12 2.00 1ziwA1 VAL 629 HG13 -0.64 0.01 -0.16 -0.04 0.97 0.13 1ziwA1 VAL 629 HG23 -0.08 -0.01 -0.32 -0.04 0.95 0.50 1ziwA1 PHE 630 H 0.10 0.48 0.13 -0.55 8.34 8.49 1ziwA1 PHE 630 HA -0.10 0.11 0.27 -0.75 4.62 4.15 1ziwA1 PHE 630 HB2 -0.44 0.08 -0.12 -0.04 3.15 2.63 1ziwA1 PHE 630 HB3 -1.64 0.03 -0.08 -0.04 3.06 1.33 1ziwA1 PHE 630 HD2 -0.03 0.03 -0.06 -0.04 7.28 7.18 1ziwA1 PHE 630 HE2 0.19 0.01 -0.05 -0.04 7.38 7.48 1ziwA1 PHE 630 HZ 0.22 0.04 -0.06 -0.04 7.32 7.47 1ziwA1 GLY 631 H -0.01 0.44 0.10 -0.55 8.43 8.41 1ziwA1 GLY 631 HA2 0.03 0.01 0.39 -0.51 4.01 3.93 1ziwA1 GLY 631 HA3 0.02 0.07 0.29 -0.51 4.01 3.89 1ziwA1 PRO 632 HA 0.06 0.10 0.51 -0.51 4.44 4.60 1ziwA1 PRO 632 HB2 0.06 0.21 -0.22 -0.04 2.28 2.30 1ziwA1 PRO 632 HB3 0.04 0.04 0.01 -0.04 2.02 2.07 1ziwA1 PRO 632 HG2 0.06 0.04 -0.21 -0.04 2.03 1.88 1ziwA1 PRO 632 HG3 0.03 -0.01 -0.10 -0.04 2.03 1.91 1ziwA1 PRO 632 HD2 0.01 0.10 -0.19 -0.04 3.68 3.56 1ziwA1 PRO 632 HD3 0.03 0.09 -0.03 -0.04 3.65 3.70 1ziwA1 ALA 633 H 0.06 0.09 -0.37 -0.55 8.40 7.64 1ziwA1 ALA 633 HA -0.01 0.18 0.48 -0.75 4.34 4.23 1ziwA1 ALA 633 HB3 -0.15 -0.03 0.02 -0.04 1.41 1.20 1ziwA1 PHE 634 H 0.24 0.52 -0.19 -0.55 8.34 8.36 1ziwA1 PHE 634 HA 0.11 0.03 0.38 -0.75 4.62 4.38 1ziwA1 PHE 634 HB2 0.18 0.11 0.06 -0.04 3.15 3.46 1ziwA1 PHE 634 HB3 0.31 -0.05 -0.05 -0.04 3.06 3.22 1ziwA1 PHE 634 HD2 0.16 0.00 -0.24 -0.04 7.28 7.17 1ziwA1 PHE 634 HE2 0.14 -0.00 -0.11 -0.04 7.38 7.37 1ziwA1 PHE 634 HZ -0.18 -0.05 -0.10 -0.04 7.32 6.94 1ziwA1 ARG 635 H 0.17 0.24 -0.28 -0.55 8.46 8.04 1ziwA1 ARG 635 HA 0.13 -0.07 0.32 -0.75 4.34 3.96 1ziwA1 ARG 635 HB2 0.08 0.00 0.17 -0.04 1.90 2.10 1ziwA1 ARG 635 HB3 0.04 0.12 0.07 -0.04 1.80 1.99 1ziwA1 ARG 635 HG2 0.04 -0.03 -0.00 -0.04 1.67 1.64 1ziwA1 ARG 635 HG3 0.03 0.03 -0.09 -0.04 1.67 1.60 1ziwA1 ARG 635 HD2 0.08 -0.01 0.06 -0.04 3.22 3.31 1ziwA1 ARG 635 HD3 0.06 -0.05 -0.02 -0.04 3.22 3.17 1ziwA1 ASN 636 H -0.04 0.21 -0.34 -0.55 8.53 7.82 1ziwA1 ASN 636 HA -0.11 0.13 0.76 -0.75 4.76 4.79 1ziwA1 ASN 636 HB2 -0.07 0.14 -0.04 -0.04 2.88 2.87 1ziwA1 ASN 636 HB3 -0.10 -0.03 0.07 -0.04 2.79 2.69 1ziwA1 ASN 636 HD21 -0.00 -0.10 -0.04 -0.04 7.03 6.85 1ziwA1 ASN 636 HD22 -0.01 0.11 -0.04 -0.04 7.74 7.76 1ziwA1 LEU 637 H -0.40 0.33 -0.18 -0.55 8.37 7.57 1ziwA1 LEU 637 HA -0.44 0.10 0.39 -0.75 4.35 3.64 1ziwA1 LEU 637 HB2 -1.68 -0.04 0.02 -0.04 1.64 -0.11 1ziwA1 LEU 637 HB3 -0.98 -0.08 -0.06 -0.04 1.64 0.49 1ziwA1 LEU 637 HG -0.14 0.24 0.13 -0.04 1.64 1.84 1ziwA1 LEU 637 HD13 -0.04 -0.05 -0.08 -0.04 0.93 0.72 1ziwA1 LEU 637 HD23 -0.17 0.00 -0.38 -0.04 0.89 0.31 1ziwA1 THR 638 H -0.38 0.42 0.47 -0.55 8.28 8.24 1ziwA1 THR 638 HA -0.33 0.13 0.92 -0.75 4.39 4.36 1ziwA1 THR 638 HB -0.10 -0.11 0.18 -0.04 4.32 4.25 1ziwA1 THR 638 HG23 -0.14 0.03 0.06 -0.04 1.22 1.13 1ziwA1 GLU 639 H -0.37 0.45 0.23 -0.55 8.60 8.35 1ziwA1 GLU 639 HA 0.35 0.26 0.85 -0.75 4.29 5.00 1ziwA1 GLU 639 HB2 0.05 0.03 -0.20 -0.04 2.09 1.93 1ziwA1 GLU 639 HB3 0.03 -0.09 0.11 -0.04 1.99 2.00 1ziwA1 GLU 639 HG2 0.28 0.04 0.07 -0.04 2.34 2.70 1ziwA1 GLU 639 HG3 0.14 -0.02 -0.03 -0.04 2.34 2.39 1ziwA1 LEU 640 H 0.46 0.65 0.38 -0.55 8.37 9.31 1ziwA1 LEU 640 HA 0.19 0.20 0.81 -0.75 4.35 4.80 1ziwA1 LEU 640 HB2 0.45 0.11 -0.03 -0.04 1.64 2.13 1ziwA1 LEU 640 HB3 0.27 0.03 0.09 -0.04 1.64 1.99 1ziwA1 LEU 640 HG 0.35 -0.24 -0.22 -0.04 1.64 1.50 1ziwA1 LEU 640 HD13 0.17 0.06 -0.03 -0.04 0.93 1.09 1ziwA1 LEU 640 HD23 -0.26 0.01 -0.09 -0.04 0.89 0.51 1ziwA1 ASP 641 H 0.22 0.63 0.15 -0.55 8.40 8.85 1ziwA1 ASP 641 HA 0.38 0.11 0.73 -0.75 4.63 5.10 1ziwA1 ASP 641 HB2 0.15 0.13 -0.03 -0.04 2.71 2.92 1ziwA1 ASP 641 HB3 0.10 -0.06 0.25 -0.04 2.70 2.95 1ziwA1 MET 642 H 0.62 0.27 -0.10 -0.55 8.47 8.72 1ziwA1 MET 642 HA -0.01 0.09 0.25 -0.75 4.52 4.10 1ziwA1 MET 642 HB2 0.52 0.09 0.02 -0.04 2.15 2.74 1ziwA1 MET 642 HB3 0.22 0.08 0.04 -0.04 2.03 2.33 1ziwA1 MET 642 HG2 0.28 -0.01 -0.23 -0.04 2.63 2.63 1ziwA1 MET 642 HG3 0.42 -0.03 -0.19 -0.04 2.56 2.72 1ziwA1 MET 642 HE3 0.41 0.01 -0.10 -0.04 2.10 2.38 1ziwA1 ARG 643 H -0.78 0.01 -0.18 -0.55 8.46 6.96 1ziwA1 ARG 643 HA -2.44 0.11 0.13 -0.75 4.34 1.38 1ziwA1 ARG 643 HB2 -0.70 -0.08 0.06 -0.04 1.90 1.14 1ziwA1 ARG 643 HB3 -1.47 0.09 -0.10 -0.04 1.80 0.28 1ziwA1 ARG 643 HG2 -0.89 -0.03 -0.06 -0.04 1.67 0.64 1ziwA1 ARG 643 HG3 -0.98 -0.08 0.02 -0.04 1.67 0.59 1ziwA1 ARG 643 HD2 -0.38 0.04 -0.03 -0.04 3.22 2.80 1ziwA1 ARG 643 HD3 -0.08 0.05 -0.08 -0.04 3.22 3.07 1ziwA1 PHE 644 H -0.25 -0.19 -0.09 -0.55 8.34 7.25 1ziwA1 PHE 644 HA -0.18 0.45 1.19 -0.75 4.62 5.32 1ziwA1 PHE 644 HB2 -0.13 -0.16 0.26 -0.04 3.15 3.07 1ziwA1 PHE 644 HB3 -0.11 0.10 0.22 -0.04 3.06 3.23 1ziwA1 PHE 644 HD2 -0.09 -0.00 0.01 -0.04 7.28 7.16 1ziwA1 PHE 644 HE2 -0.05 0.00 -0.02 -0.04 7.38 7.27 1ziwA1 PHE 644 HZ -0.03 0.01 -0.02 -0.04 7.32 7.23 1ziwA1 ASN 645 H -0.43 0.34 -0.07 -0.55 8.53 7.82 1ziwA1 ASN 645 HA -0.23 0.29 0.93 -0.75 4.76 4.99 1ziwA1 ASN 645 HB2 -1.24 0.05 0.04 -0.04 2.88 1.69 1ziwA1 ASN 645 HB3 -0.61 0.26 0.01 -0.04 2.79 2.41 1ziwA1 ASN 645 HD21 -0.06 0.25 -0.08 -0.04 7.03 7.10 1ziwA1 ASN 645 HD22 -0.22 0.58 -0.04 -0.04 7.74 8.02 1ziwA1 PRO 646 HA -0.08 0.08 0.50 -0.51 4.44 4.43 1ziwA1 PRO 646 HB2 -0.03 -0.00 0.11 -0.04 2.28 2.32 1ziwA1 PRO 646 HB3 -0.05 -0.00 0.06 -0.04 2.02 1.99 1ziwA1 PRO 646 HG2 -0.08 0.05 -0.47 -0.04 2.03 1.48 1ziwA1 PRO 646 HG3 -0.05 0.00 -0.02 -0.04 2.03 1.92 1ziwA1 PRO 646 HD2 -0.21 -0.07 0.03 -0.04 3.68 3.39 1ziwA1 PRO 646 HD3 -0.12 0.25 0.18 -0.04 3.65 3.91 1ziwA1 PHE 647 H -0.11 0.29 -0.00 -0.55 8.34 7.96 1ziwA1 PHE 647 HA 0.05 0.02 0.25 -0.75 4.62 4.19 1ziwA1 PHE 647 HB2 0.06 0.05 0.02 -0.04 3.15 3.24 1ziwA1 PHE 647 HB3 0.06 -0.10 -0.09 -0.04 3.06 2.88 1ziwA1 PHE 647 HD2 0.08 0.04 -0.14 -0.04 7.28 7.22 1ziwA1 PHE 647 HE2 0.06 0.03 -0.07 -0.04 7.38 7.36 1ziwA1 PHE 647 HZ -0.02 0.04 -0.05 -0.04 7.32 7.25 1ziwA1 ASP 648 H 0.21 0.37 0.23 -0.55 8.40 8.67 1ziwA1 ASP 648 HA 0.10 0.14 0.77 -0.75 4.63 4.89 1ziwA1 ASP 648 HB2 0.08 0.10 -0.09 -0.04 2.71 2.76 1ziwA1 ASP 648 HB3 0.08 -0.10 0.13 -0.04 2.70 2.77 1ziwA1 CYS 649 H 0.09 0.32 0.22 -0.55 8.50 8.58 1ziwA1 CYS 649 HA 0.04 0.19 0.95 -0.75 4.58 5.00 1ziwA1 CYS 649 HB2 0.04 -0.02 0.13 -0.04 2.97 3.08 1ziwA1 CYS 649 HB3 0.04 0.06 0.05 -0.04 2.97 3.07 1ziwA1 THR 650 H 0.02 0.21 0.08 -0.55 8.28 8.03 1ziwA1 THR 650 HA 0.01 0.13 0.24 -0.75 4.39 4.01 1ziwA1 THR 650 HB -0.09 -0.11 0.00 -0.04 4.32 4.07 1ziwA1 THR 650 HG23 0.01 -0.00 -0.27 -0.04 1.22 0.91 1ziwA1 CYS 651 H -0.06 0.19 0.02 -0.55 8.50 8.11 1ziwA1 CYS 651 HA -0.02 0.05 0.79 -0.75 4.58 4.65 1ziwA1 CYS 651 HB2 0.01 0.01 -0.26 -0.04 2.97 2.69 1ziwA1 CYS 651 HB3 0.01 0.04 0.09 -0.04 2.97 3.08 1ziwA1 GLU 652 H -0.05 0.09 0.11 -0.55 8.60 8.20 1ziwA1 GLU 652 HA -0.14 0.02 0.17 -0.75 4.29 3.58 1ziwA1 GLU 652 HB2 -0.12 0.04 0.12 -0.04 2.09 2.09 1ziwA1 GLU 652 HB3 -0.08 -0.02 0.11 -0.04 1.99 1.96 1ziwA1 GLU 652 HG2 -0.06 0.02 -0.02 -0.04 2.34 2.24 1ziwA1 GLU 652 HG3 -0.05 -0.07 0.03 -0.04 2.34 2.21 1ziwA1 SER 653 H -0.21 0.13 0.17 -0.55 8.46 8.00 1ziwA1 SER 653 HA -0.27 0.14 0.75 -0.75 4.49 4.36 1ziwA1 SER 653 HB2 -0.51 0.08 -0.07 -0.04 3.95 3.41 1ziwA1 SER 653 HB3 -0.49 0.01 -0.00 -0.04 3.93 3.41 1ziwA1 ILE 654 H -0.36 0.08 0.09 -0.55 8.25 7.51 1ziwA1 ILE 654 HA -0.22 0.24 0.95 -0.75 4.18 4.40 1ziwA1 ILE 654 HB -0.08 -0.03 0.13 -0.04 1.89 1.87 1ziwA1 ILE 654 HG12 -0.08 0.02 -0.03 -0.04 1.49 1.36 1ziwA1 ILE 654 HG13 -0.10 -0.04 -0.55 -0.04 1.21 0.47 1ziwA1 ILE 654 HG23 -0.06 0.01 -0.11 -0.04 0.93 0.73 1ziwA1 ILE 654 HD13 -0.02 -0.00 -0.07 -0.04 0.88 0.75 1ziwA1 ALA 655 H -0.35 0.11 0.13 -0.55 8.40 7.75 1ziwA1 ALA 655 HA -0.06 0.10 -0.27 -0.75 4.34 3.35 1ziwA1 ALA 655 HB3 0.26 0.02 0.08 -0.04 1.41 1.73 1ziwA1 TRP 656 H -0.88 0.16 -0.05 -0.55 7.97 6.65 1ziwA1 TRP 656 HA 0.05 0.13 0.79 -0.75 4.62 4.84 1ziwA1 TRP 656 HB2 0.03 -0.03 0.06 -0.04 3.23 3.24 1ziwA1 TRP 656 HB3 0.00 0.10 -0.25 -0.04 3.23 3.04 1ziwA1 TRP 656 HD1 -0.02 -0.04 -0.10 -0.04 7.22 7.01 1ziwA1 TRP 656 HE1 -0.04 0.03 -0.02 -0.04 10.20 10.13 1ziwA1 TRP 656 HE3 0.01 0.12 -0.84 -0.04 7.59 6.84 1ziwA1 TRP 656 HZ2 -0.31 0.00 -0.05 -0.04 7.44 7.04 1ziwA1 TRP 656 HZ3 -0.11 -0.09 -0.31 -0.04 7.13 6.57 1ziwA1 TRP 656 HH2 -0.47 -0.09 -0.16 -0.04 7.19 6.43 1ziwA1 PHE 657 H 0.70 0.34 0.12 -0.55 8.34 8.95 1ziwA1 PHE 657 HA 0.03 -0.04 0.09 -0.75 4.62 3.94 1ziwA1 PHE 657 HB2 0.17 0.30 0.34 -0.04 3.15 3.93 1ziwA1 PHE 657 HB3 0.16 -0.13 0.22 -0.04 3.06 3.27 1ziwA1 PHE 657 HD2 0.06 -0.03 0.01 -0.04 7.28 7.28 1ziwA1 PHE 657 HE2 0.03 -0.00 -0.01 -0.04 7.38 7.35 1ziwA1 PHE 657 HZ 0.02 -0.00 -0.01 -0.04 7.32 7.29 1ziwA1 VAL 658 H -0.35 0.24 0.07 -0.55 8.24 7.65 1ziwA1 VAL 658 HA -0.05 0.22 0.91 -0.75 4.13 4.45 1ziwA1 VAL 658 HB -0.63 0.05 0.23 -0.04 2.12 1.73 1ziwA1 VAL 658 HG13 -1.27 -0.05 -0.03 -0.04 0.97 -0.42 1ziwA1 VAL 658 HG23 -0.70 0.07 -0.11 -0.04 0.95 0.18 1ziwA1 ASN 659 H 0.12 0.24 0.09 -0.55 8.53 8.44 1ziwA1 ASN 659 HA -0.18 0.13 0.22 -0.75 4.76 4.17 1ziwA1 ASN 659 HB2 0.16 -0.04 0.10 -0.04 2.88 3.06 1ziwA1 ASN 659 HB3 0.04 0.02 0.17 -0.04 2.79 2.99 1ziwA1 ASN 659 HD21 0.33 0.04 0.00 -0.04 7.03 7.37 1ziwA1 ASN 659 HD22 0.15 0.00 0.03 -0.04 7.74 7.88 1ziwA1 TRP 660 H -0.14 0.24 -0.55 -0.55 7.97 6.97 1ziwA1 TRP 660 HA -0.11 0.10 1.08 -0.75 4.62 4.93 1ziwA1 TRP 660 HB2 -0.12 -0.06 -0.24 -0.04 3.23 2.77 1ziwA1 TRP 660 HB3 -0.17 -0.01 -0.02 -0.04 3.23 2.99 1ziwA1 TRP 660 HD1 -0.10 -0.11 -0.16 -0.04 7.22 6.82 1ziwA1 TRP 660 HE1 -0.04 0.08 -0.07 -0.04 10.20 10.13 1ziwA1 TRP 660 HE3 -0.07 -0.05 -0.39 -0.04 7.59 7.05 1ziwA1 TRP 660 HZ2 -0.00 -0.17 -0.13 -0.04 7.44 7.09 1ziwA1 TRP 660 HZ3 -0.30 0.12 -0.09 -0.04 7.13 6.83 1ziwA1 TRP 660 HH2 -0.06 0.05 -0.14 -0.04 7.19 6.99 1ziwA1 ILE 661 H 0.06 -0.14 0.27 -0.55 8.25 7.90 1ziwA1 ILE 661 HA -0.05 0.20 0.50 -0.75 4.18 4.07 1ziwA1 ILE 661 HB -0.08 0.08 -0.03 -0.04 1.89 1.82 1ziwA1 ILE 661 HG12 -0.04 -0.00 0.02 -0.04 1.49 1.43 1ziwA1 ILE 661 HG13 -0.08 0.01 0.15 -0.04 1.21 1.25 1ziwA1 ILE 661 HG23 -0.02 0.00 -0.07 -0.04 0.93 0.80 1ziwA1 ILE 661 HD13 -0.09 0.01 0.02 -0.04 0.88 0.78 1ziwA1 ASN 662 H 0.05 -0.07 0.25 -0.55 8.53 8.21 1ziwA1 ASN 662 HA 0.05 0.28 0.95 -0.75 4.76 5.28 1ziwA1 ASN 662 HB2 0.06 0.07 0.01 -0.04 2.88 2.98 1ziwA1 ASN 662 HB3 0.04 0.07 0.12 -0.04 2.79 2.98 1ziwA1 ASN 662 HD21 0.04 0.03 0.06 -0.04 7.03 7.12 1ziwA1 ASN 662 HD22 0.04 0.05 0.04 -0.04 7.74 7.83 1ziwA1 GLU 663 H 0.08 -0.06 0.12 -0.55 8.60 8.19 1ziwA1 GLU 663 HA -0.02 0.22 0.56 -0.75 4.29 4.29 1ziwA1 GLU 663 HB2 -0.58 -0.05 0.08 -0.04 2.09 1.50 1ziwA1 GLU 663 HB3 -0.86 0.08 0.09 -0.04 1.99 1.27 1ziwA1 GLU 663 HG2 -0.03 -0.19 0.18 -0.04 2.34 2.25 1ziwA1 GLU 663 HG3 -0.36 -0.00 0.03 -0.04 2.34 1.97 1ziwA1 THR 664 H 0.26 -0.10 -0.73 -0.55 8.28 7.16 1ziwA1 THR 664 HA 0.92 0.11 0.33 -0.75 4.39 4.99 1ziwA1 THR 664 HB -0.00 0.01 -0.07 -0.04 4.32 4.22 1ziwA1 THR 664 HG23 -0.11 -0.09 -0.35 -0.04 1.22 0.64