============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 88 rings ring int. center anis. iso. HIS 14 0.900 -14.090 7.213 -11.123 -99.200 -91.000 PHE 24 1.000 -3.973 2.661 3.040 -99.200 -91.000 TYR 30 0.840 -1.719 10.333 5.575 -99.200 -91.000 TYR 33 0.840 -13.298 17.354 1.160 -99.200 -91.000 TRP 35 1.040 -9.958 25.681 -5.402 -99.200 -91.000 TRP6 35 1.020 -10.398 24.712 -7.509 -99.200 -91.000 TYR 47 0.840 -8.747 24.298 -12.879 -99.200 -91.000 PHE 48 1.000 -13.970 27.888 -16.524 -99.200 -91.000 TRP 53 1.040 -14.368 27.318 -8.701 -99.200 -91.000 TRP6 53 1.020 -12.611 28.054 -10.099 -99.200 -91.000 PHE 69 1.000 -7.281 19.311 -8.529 -99.200 -91.000 PHE 78 1.000 -20.132 6.393 6.880 -99.200 -91.000 HIS 82 0.900 -21.401 10.122 -8.167 -99.200 -91.000 TYR 83 0.840 -13.579 9.304 -6.853 -99.200 -91.000 TYR 88 0.840 -4.771 16.392 -14.043 -99.200 -91.000 TRP 94 1.040 -0.788 19.936 -9.685 -99.200 -91.000 TRP6 94 1.020 -1.322 18.384 -7.988 -99.200 -91.000 PHE 99 1.000 -6.216 1.293 -14.849 -99.200 -91.000 HIS 112 0.900 6.859 5.958 1.900 -99.200 -91.000 TYR 122 0.840 0.856 -2.550 -11.118 -99.200 -91.000 HIS 138 0.900 -20.645 -10.331 -24.375 -99.200 -91.000 HIS 150 0.900 -35.695 -11.866 -15.607 -99.200 -91.000 TYR 151 0.840 -31.659 -12.968 -8.861 -99.200 -91.000 TRP 159 1.040 -22.397 -3.634 -16.494 -99.200 -91.000 TRP6 159 1.020 -23.079 -5.566 -17.679 -99.200 -91.000 PHE 160 1.000 -18.367 -0.558 -14.753 -99.200 -91.000 HIS 162 0.900 -16.625 -4.220 -2.363 -99.200 -91.000 HIS 165 0.900 -11.051 -6.331 -3.656 -99.200 -91.000 TRP 173 1.040 -10.660 -19.384 -13.075 -99.200 -91.000 TRP6 173 1.020 -12.700 -18.585 -12.220 -99.200 -91.000 HIS 176 0.900 -5.507 -24.943 -17.431 -99.200 -91.000 TRP 182 1.040 -14.977 -20.930 -16.015 -99.200 -91.000 TRP6 182 1.020 -16.216 -22.849 -16.606 -99.200 -91.000 PHE 186 1.000 -17.427 -11.735 -21.469 -99.200 -91.000 HIS 193 0.900 -16.258 -31.983 -13.881 -99.200 -91.000 PHE 195 1.000 -15.909 -35.184 -9.551 -99.200 -91.000 HIS 203 0.900 -19.642 -36.651 5.721 -99.200 -91.000 PHE 218 1.000 -26.598 -29.590 -3.477 -99.200 -91.000 HIS 228 0.900 -21.810 -46.391 -6.067 -99.200 -91.000 HIS 234 0.900 -17.049 -22.703 -11.022 -99.200 -91.000 PHE 241 1.000 -12.750 -33.611 -5.587 -99.200 -91.000 TRP 275 1.040 -22.703 -22.650 -10.344 -99.200 -91.000 TRP6 275 1.020 -21.835 -22.666 -12.538 -99.200 -91.000 PHE 276 1.000 -32.062 -17.646 -11.460 -99.200 -91.000 HIS 280 0.900 -33.478 -26.982 -9.537 -99.200 -91.000 TYR 282 0.840 -34.279 -26.547 -3.541 -99.200 -91.000 PHE 283 1.000 -30.474 -18.229 -6.231 -99.200 -91.000 TRP 301 1.040 -15.138 -29.848 9.563 -99.200 -91.000 TRP6 301 1.020 -16.554 -30.313 11.398 -99.200 -91.000 TYR 302 0.840 -14.898 -24.961 10.298 -99.200 -91.000 PHE 314 1.000 -32.079 -16.301 9.726 -99.200 -91.000 HIS 321 0.900 -39.410 -16.365 19.192 -99.200 -91.000 TRP 339 1.040 -18.544 -39.238 -0.958 -99.200 -91.000 TRP6 339 1.020 -16.330 -39.815 -1.593 -99.200 -91.000 HIS 350 0.900 -12.451 -32.526 9.468 -99.200 -91.000 TRP 351 1.040 -8.173 -31.167 0.555 -99.200 -91.000 TRP6 351 1.020 -8.699 -32.502 -1.309 -99.200 -91.000 PHE 352 1.000 -11.428 -36.914 -0.808 -99.200 -91.000 PHE 364 1.000 -33.653 -14.444 -4.392 -99.200 -91.000 PHE 380 1.000 -29.276 1.123 -3.994 -99.200 -91.000 PHE 393 1.000 -35.655 0.216 -11.317 -99.200 -91.000 HIS 397 0.900 -40.217 0.456 -12.740 -99.200 -91.000 TYR 398 0.840 -41.295 6.365 -8.396 -99.200 -91.000 TYR 409 0.840 -43.291 9.058 0.242 -99.200 -91.000 TRP 410 1.040 -37.316 4.190 -4.737 -99.200 -91.000 TRP6 410 1.020 -35.267 3.157 -4.172 -99.200 -91.000 PHE 411 1.000 -31.897 6.580 2.089 -99.200 -91.000 TYR 414 0.840 -32.703 -0.214 -0.411 -99.200 -91.000 PHE 426 1.000 -26.057 -6.990 17.020 -99.200 -91.000 PHE 427 1.000 -28.956 -3.495 18.474 -99.200 -91.000 HIS 429 0.900 -35.469 -13.052 17.810 -99.200 -91.000 HIS 436 0.900 -22.032 -8.625 1.255 -99.200 -91.000 HIS 444 0.900 -38.952 -3.294 -9.101 -99.200 -91.000 PHE 457 1.000 -29.939 -18.721 5.919 -99.200 -91.000 TYR 470 0.840 -32.861 -17.889 19.313 -99.200 -91.000 HIS 476 0.900 -17.326 -31.188 16.060 -99.200 -91.000 TYR 485 0.840 -18.505 -12.488 13.899 -99.200 -91.000 TRP 491 1.040 -22.878 -1.821 16.688 -99.200 -91.000 TRP6 491 1.020 -25.024 -1.703 15.725 -99.200 -91.000 TYR 496 0.840 -17.854 -2.829 5.307 -99.200 -91.000 PHE 499 1.000 -25.941 2.212 9.830 -99.200 -91.000 HIS 502 0.900 -27.486 -2.348 1.532 -99.200 -91.000 TRP 522 1.040 -25.424 9.656 5.186 -99.200 -91.000 TRP6 522 1.020 -25.404 7.328 5.614 -99.200 -91.000 HIS 550 0.900 -20.200 4.853 17.762 -99.200 -91.000 TYR 572 0.840 -13.875 -4.540 10.442 -99.200 -91.000 TRP 579 1.040 -25.813 10.044 12.509 -99.200 -91.000 TRP6 579 1.020 -25.999 8.081 11.209 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2w02B1 ASP 7 HA -0.02 0.07 0.23 -0.75 4.63 4.16 2w02B1 ASP 7 HB2 -0.01 0.08 0.09 -0.04 2.71 2.82 2w02B1 ASP 7 HB3 -0.01 -0.13 0.11 -0.04 2.70 2.62 2w02B1 VAL 8 H -0.02 0.19 0.15 -0.55 8.24 8.01 2w02B1 VAL 8 HA -0.02 0.10 0.69 -0.75 4.13 4.15 2w02B1 VAL 8 HB -0.01 0.01 0.13 -0.04 2.12 2.22 2w02B1 VAL 8 HG13 -0.01 0.01 0.00 -0.04 0.97 0.93 2w02B1 VAL 8 HG23 -0.01 0.01 0.06 -0.04 0.95 0.98 2w02B1 LEU 9 H -0.02 0.18 0.03 -0.55 8.37 8.01 2w02B1 LEU 9 HA -0.03 0.07 0.43 -0.75 4.35 4.06 2w02B1 LEU 9 HB2 -0.02 -0.02 0.12 -0.04 1.64 1.68 2w02B1 LEU 9 HB3 -0.04 0.09 0.05 -0.04 1.64 1.71 2w02B1 LEU 9 HG -0.03 0.03 -0.10 -0.04 1.64 1.49 2w02B1 LEU 9 HD13 -0.02 -0.01 0.04 -0.04 0.93 0.90 2w02B1 LEU 9 HD23 -0.03 0.02 -0.00 -0.04 0.89 0.84 2w02B1 SER 10 H -0.04 0.19 -0.38 -0.55 8.46 7.69 2w02B1 SER 10 HA -0.05 0.09 0.30 -0.75 4.49 4.08 2w02B1 SER 10 HB2 -0.04 0.10 0.04 -0.04 3.95 4.02 2w02B1 SER 10 HB3 -0.05 0.13 -0.01 -0.04 3.93 3.95 2w02B1 ARG 11 H -0.04 0.33 -0.29 -0.55 8.46 7.91 2w02B1 ARG 11 HA -0.07 0.01 0.45 -0.75 4.34 3.98 2w02B1 ARG 11 HB2 -0.03 0.08 0.17 -0.04 1.90 2.08 2w02B1 ARG 11 HB3 -0.04 0.12 0.17 -0.04 1.80 2.00 2w02B1 ARG 11 HG2 -0.09 -0.04 -0.13 -0.04 1.67 1.37 2w02B1 ARG 11 HG3 -0.08 -0.02 0.05 -0.04 1.67 1.58 2w02B1 ARG 11 HD2 -0.02 -0.05 0.01 -0.04 3.22 3.12 2w02B1 ARG 11 HD3 -0.02 0.03 0.04 -0.04 3.22 3.23 2w02B1 MET 12 H -0.05 0.48 -0.19 -0.55 8.47 8.17 2w02B1 MET 12 HA -0.09 -0.04 0.39 -0.75 4.52 4.04 2w02B1 MET 12 HB2 -0.04 0.14 0.15 -0.04 2.15 2.36 2w02B1 MET 12 HB3 -0.04 -0.03 0.06 -0.04 2.03 1.99 2w02B1 MET 12 HG2 -0.03 -0.11 0.04 -0.04 2.63 2.48 2w02B1 MET 12 HG3 -0.03 0.28 0.08 -0.04 2.56 2.85 2w02B1 MET 12 HE3 -0.00 -0.01 0.03 -0.04 2.10 2.07 2w02B1 ILE 13 H -0.05 0.55 -0.12 -0.55 8.25 8.08 2w02B1 ILE 13 HA -0.08 0.03 0.56 -0.75 4.18 3.94 2w02B1 ILE 13 HB -0.00 0.11 0.20 -0.04 1.89 2.15 2w02B1 ILE 13 HG12 -0.03 -0.05 0.04 -0.04 1.49 1.40 2w02B1 ILE 13 HG13 -0.04 0.27 0.08 -0.04 1.21 1.49 2w02B1 ILE 13 HG23 0.07 0.01 -0.03 -0.04 0.93 0.94 2w02B1 ILE 13 HD13 -0.03 0.06 0.02 -0.04 0.88 0.89 2w02B1 SER 14 H -0.05 0.61 -0.07 -0.55 8.46 8.41 2w02B1 SER 14 HA 0.06 0.02 0.31 -0.75 4.49 4.13 2w02B1 SER 14 HB2 -0.02 0.01 0.06 -0.04 3.95 3.97 2w02B1 SER 14 HB3 0.02 0.06 -0.17 -0.04 3.93 3.80 2w02B1 GLU 15 H -0.22 0.51 -0.25 -0.55 8.60 8.09 2w02B1 GLU 15 HA -0.92 0.01 0.61 -0.75 4.29 3.23 2w02B1 GLU 15 HB2 -0.21 0.15 0.16 -0.04 2.09 2.14 2w02B1 GLU 15 HB3 -0.29 -0.09 0.07 -0.04 1.99 1.64 2w02B1 GLU 15 HG2 -1.15 -0.09 0.04 -0.04 2.34 1.11 2w02B1 GLU 15 HG3 -0.37 0.31 0.04 -0.04 2.34 2.27 2w02B1 LYS 16 H -0.18 0.50 -0.10 -0.55 8.42 8.08 2w02B1 LYS 16 HA -0.15 0.00 0.53 -0.75 4.32 3.95 2w02B1 LYS 16 HB2 -0.15 0.12 0.23 -0.04 1.87 2.03 2w02B1 LYS 16 HB3 -0.29 0.06 0.18 -0.04 1.79 1.71 2w02B1 LYS 16 HG2 -0.69 -0.03 0.03 -0.04 1.46 0.73 2w02B1 LYS 16 HG3 -0.07 -0.05 0.06 -0.04 1.46 1.35 2w02B1 LYS 16 HD2 -0.06 -0.02 0.01 -0.04 1.69 1.58 2w02B1 LYS 16 HD3 -0.15 0.03 0.01 -0.04 1.68 1.53 2w02B1 LYS 16 HE2 0.24 0.06 0.01 -0.04 2.99 3.26 2w02B1 LYS 16 HE3 0.14 -0.04 -0.05 -0.04 2.99 3.00 2w02B1 ALA 17 H -0.29 0.58 0.05 -0.55 8.40 8.19 2w02B1 ALA 17 HA -0.31 0.04 0.44 -0.75 4.34 3.75 2w02B1 ALA 17 HB3 -0.53 0.02 0.07 -0.04 1.41 0.93 2w02B1 ALA 18 H -0.07 0.39 -0.31 -0.55 8.40 7.87 2w02B1 ALA 18 HA 0.11 0.12 0.51 -0.75 4.34 4.32 2w02B1 ALA 18 HB3 0.14 0.00 0.18 -0.04 1.41 1.70 2w02B1 LEU 19 H 0.20 0.59 -0.01 -0.55 8.37 8.60 2w02B1 LEU 19 HA 0.13 -0.04 0.53 -0.75 4.35 4.22 2w02B1 LEU 19 HB2 0.25 -0.06 0.19 -0.04 1.64 1.97 2w02B1 LEU 19 HB3 0.14 0.19 0.31 -0.04 1.64 2.24 2w02B1 LEU 19 HG 0.07 0.02 -0.36 -0.04 1.64 1.32 2w02B1 LEU 19 HD13 -0.01 -0.03 0.01 -0.04 0.93 0.86 2w02B1 LEU 19 HD23 0.10 -0.00 0.05 -0.04 0.89 0.99 2w02B1 HIS 20 H 0.14 0.72 -0.06 -0.55 8.41 8.66 2w02B1 HIS 20 HA -0.17 -0.05 0.41 -0.75 4.63 4.07 2w02B1 HIS 20 HB2 0.06 0.14 0.20 -0.04 3.26 3.62 2w02B1 HIS 20 HB3 0.25 -0.02 0.07 -0.04 3.20 3.46 2w02B1 HIS 20 HD2 -0.06 -0.14 0.04 -0.04 6.97 6.76 2w02B1 HIS 20 HE1 0.14 0.07 0.07 -0.04 7.75 7.98 2w02B1 GLY 21 H 0.14 0.43 -0.28 -0.55 8.43 8.18 2w02B1 GLY 21 HA2 0.13 0.28 0.51 -0.51 4.01 4.43 2w02B1 GLY 21 HA3 0.11 0.14 0.33 -0.51 4.01 4.08 2w02B1 LEU 22 H 0.07 0.51 -0.13 -0.55 8.37 8.28 2w02B1 LEU 22 HA 0.01 -0.06 0.52 -0.75 4.35 4.07 2w02B1 LEU 22 HB2 0.02 0.07 0.17 -0.04 1.64 1.86 2w02B1 LEU 22 HB3 0.01 0.14 0.23 -0.04 1.64 1.98 2w02B1 LEU 22 HG -0.02 -0.04 -0.13 -0.04 1.64 1.41 2w02B1 LEU 22 HD13 -0.02 -0.03 0.02 -0.04 0.93 0.86 2w02B1 LEU 22 HD23 -0.05 -0.01 0.03 -0.04 0.89 0.82 2w02B1 LEU 23 H -0.02 0.66 -0.03 -0.55 8.37 8.43 2w02B1 LEU 23 HA -0.04 -0.05 0.42 -0.75 4.35 3.92 2w02B1 LEU 23 HB2 -0.40 0.16 0.13 -0.04 1.64 1.50 2w02B1 LEU 23 HB3 -0.25 -0.04 -0.04 -0.04 1.64 1.26 2w02B1 LEU 23 HG -0.18 0.09 -0.01 -0.04 1.64 1.50 2w02B1 LEU 23 HD13 -0.78 -0.01 -0.06 -0.04 0.93 0.04 2w02B1 LEU 23 HD23 -0.14 -0.02 -0.05 -0.04 0.89 0.64 2w02B1 ASN 24 H 0.11 0.66 -0.07 -0.55 8.53 8.69 2w02B1 ASN 24 HA 0.15 0.08 0.52 -0.75 4.76 4.76 2w02B1 ASN 24 HB2 0.12 0.26 0.28 -0.04 2.88 3.50 2w02B1 ASN 24 HB3 0.10 -0.09 0.06 -0.04 2.79 2.82 2w02B1 ASN 24 HD21 0.10 -0.09 -0.02 -0.04 7.03 6.98 2w02B1 ASN 24 HD22 0.13 0.04 -0.13 -0.04 7.74 7.73 2w02B1 CYS 25 H 0.05 0.43 -0.26 -0.55 8.50 8.18 2w02B1 CYS 25 HA 0.04 0.01 0.48 -0.75 4.58 4.35 2w02B1 CYS 25 HB2 0.03 0.31 0.16 -0.04 2.97 3.43 2w02B1 CYS 25 HB3 0.06 -0.18 -0.04 -0.04 2.97 2.78 2w02B1 LEU 26 H 0.06 0.57 -0.03 -0.55 8.37 8.43 2w02B1 LEU 26 HA 0.23 -0.03 0.40 -0.75 4.35 4.20 2w02B1 LEU 26 HB2 0.01 0.04 0.10 -0.04 1.64 1.75 2w02B1 LEU 26 HB3 0.03 0.13 0.14 -0.04 1.64 1.90 2w02B1 LEU 26 HG -0.03 -0.04 0.02 -0.04 1.64 1.55 2w02B1 LEU 26 HD13 -0.03 -0.00 -0.05 -0.04 0.93 0.81 2w02B1 LEU 26 HD23 0.07 -0.03 -0.17 -0.04 0.89 0.72 2w02B1 ILE 27 H 0.09 0.76 -0.18 -0.55 8.25 8.37 2w02B1 ILE 27 HA 0.08 -0.09 0.34 -0.75 4.18 3.76 2w02B1 ILE 27 HB 0.10 0.18 0.17 -0.04 1.89 2.31 2w02B1 ILE 27 HG12 0.04 -0.07 -0.07 -0.04 1.49 1.36 2w02B1 ILE 27 HG13 0.05 -0.01 -0.02 -0.04 1.21 1.19 2w02B1 ILE 27 HG23 0.07 -0.01 -0.18 -0.04 0.93 0.77 2w02B1 ILE 27 HD13 0.15 -0.01 -0.13 -0.04 0.88 0.85 2w02B1 LYS 28 H 0.07 0.74 0.06 -0.55 8.42 8.74 2w02B1 LYS 28 HA 0.04 0.05 0.33 -0.75 4.32 3.98 2w02B1 LYS 28 HB2 0.03 -0.00 0.14 -0.04 1.87 1.99 2w02B1 LYS 28 HB3 0.01 -0.04 -0.05 -0.04 1.79 1.66 2w02B1 LYS 28 HG2 0.07 0.09 -0.05 -0.04 1.46 1.53 2w02B1 LYS 28 HG3 0.08 0.11 0.15 -0.04 1.46 1.75 2w02B1 LYS 28 HD2 0.07 -0.08 -0.07 -0.04 1.69 1.56 2w02B1 LYS 28 HD3 0.06 -0.04 -0.03 -0.04 1.68 1.62 2w02B1 LYS 28 HE2 0.09 -0.04 -0.02 -0.04 2.99 2.99 2w02B1 LYS 28 HE3 0.10 -0.09 -0.07 -0.04 2.99 2.89 2w02B1 GLU 29 H 0.02 0.43 -0.17 -0.55 8.60 8.34 2w02B1 GLU 29 HA -0.20 0.16 0.52 -0.75 4.29 4.02 2w02B1 GLU 29 HB2 -0.20 0.13 0.09 -0.04 2.09 2.07 2w02B1 GLU 29 HB3 -0.51 -0.09 0.09 -0.04 1.99 1.44 2w02B1 GLU 29 HG2 -0.14 0.13 -0.04 -0.04 2.34 2.24 2w02B1 GLU 29 HG3 -0.05 0.13 0.14 -0.04 2.34 2.52 2w02B1 PHE 30 H 0.16 0.30 -0.13 -0.55 8.34 8.12 2w02B1 PHE 30 HA -0.01 0.21 1.03 -0.75 4.62 5.09 2w02B1 PHE 30 HB2 0.07 0.08 0.19 -0.04 3.15 3.45 2w02B1 PHE 30 HB3 0.14 -0.02 0.04 -0.04 3.06 3.18 2w02B1 PHE 30 HD2 0.04 0.07 -0.00 -0.04 7.28 7.35 2w02B1 PHE 30 HE2 0.00 -0.05 -0.08 -0.04 7.38 7.21 2w02B1 PHE 30 HZ -0.01 -0.05 -0.09 -0.04 7.32 7.14 2w02B1 ALA 31 H 0.20 0.62 0.28 -0.55 8.40 8.94 2w02B1 ALA 31 HA 0.18 -0.02 0.23 -0.75 4.34 3.97 2w02B1 ALA 31 HB3 0.08 -0.01 0.02 -0.04 1.41 1.46 2w02B1 ILE 32 H 0.02 0.63 -0.00 -0.55 8.25 8.34 2w02B1 ILE 32 HA -0.03 -0.00 0.58 -0.75 4.18 3.97 2w02B1 ILE 32 HB 0.00 0.17 0.15 -0.04 1.89 2.17 2w02B1 ILE 32 HG12 0.01 -0.09 -0.01 -0.04 1.49 1.36 2w02B1 ILE 32 HG13 0.02 0.04 -0.01 -0.04 1.21 1.22 2w02B1 ILE 32 HG23 -0.01 0.03 -0.00 -0.04 0.93 0.90 2w02B1 ILE 32 HD13 0.06 0.01 -0.14 -0.04 0.88 0.77 2w02B1 PRO 33 HA -0.07 0.10 0.51 -0.51 4.44 4.47 2w02B1 PRO 33 HB2 -0.09 -0.03 0.01 -0.04 2.28 2.12 2w02B1 PRO 33 HB3 -0.07 0.15 0.18 -0.04 2.02 2.24 2w02B1 PRO 33 HG2 -0.13 0.15 -0.13 -0.04 2.03 1.88 2w02B1 PRO 33 HG3 -0.09 0.13 0.05 -0.04 2.03 2.08 2w02B1 PRO 33 HD2 -0.06 0.01 -0.62 -0.04 3.68 2.97 2w02B1 PRO 33 HD3 -0.04 0.25 -0.03 -0.04 3.65 3.79 2w02B1 GLU 34 H -0.19 0.49 -0.22 -0.55 8.60 8.13 2w02B1 GLU 34 HA -0.23 0.10 0.77 -0.75 4.29 4.18 2w02B1 GLU 34 HB2 -1.16 0.01 -0.00 -0.04 2.09 0.90 2w02B1 GLU 34 HB3 -0.61 -0.08 0.14 -0.04 1.99 1.40 2w02B1 GLU 34 HG2 -0.14 -0.03 0.04 -0.04 2.34 2.16 2w02B1 GLU 34 HG3 0.00 -0.08 0.11 -0.04 2.34 2.33 2w02B1 GLY 35 H -0.19 0.25 -0.44 -0.55 8.43 7.49 2w02B1 GLY 35 HA2 -0.08 0.08 0.37 -0.51 4.01 3.87 2w02B1 GLY 35 HA3 -0.10 -0.00 0.32 -0.51 4.01 3.72 2w02B1 TYR 36 H -0.12 0.42 0.08 -0.55 8.29 8.12 2w02B1 TYR 36 HA -0.01 0.13 0.68 -0.75 4.56 4.61 2w02B1 TYR 36 HB2 0.01 -0.10 0.04 -0.04 3.06 2.96 2w02B1 TYR 36 HB3 -0.00 0.19 0.24 -0.04 2.98 3.36 2w02B1 TYR 36 HD2 0.03 -0.04 -0.14 -0.04 7.15 6.95 2w02B1 TYR 36 HE2 0.06 -0.05 -0.01 -0.04 6.85 6.81 2w02B1 LEU 37 H 0.00 0.21 -0.16 -0.55 8.37 7.87 2w02B1 LEU 37 HA -0.05 0.24 0.92 -0.75 4.35 4.71 2w02B1 LEU 37 HB2 -0.03 -0.09 -0.12 -0.04 1.64 1.35 2w02B1 LEU 37 HB3 -0.08 0.03 0.01 -0.04 1.64 1.56 2w02B1 LEU 37 HG -0.27 0.05 -0.10 -0.04 1.64 1.27 2w02B1 LEU 37 HD13 -0.05 -0.01 -0.12 -0.04 0.93 0.71 2w02B1 LEU 37 HD23 -0.53 -0.01 -0.28 -0.04 0.89 0.03 2w02B1 ARG 38 H -0.15 0.84 0.43 -0.55 8.46 9.03 2w02B1 ARG 38 HA -0.14 0.14 0.76 -0.75 4.34 4.34 2w02B1 ARG 38 HB2 -0.05 -0.05 -0.00 -0.04 1.90 1.76 2w02B1 ARG 38 HB3 -0.03 -0.03 -0.03 -0.04 1.80 1.67 2w02B1 ARG 38 HG2 -0.02 0.01 -0.54 -0.04 1.67 1.09 2w02B1 ARG 38 HG3 0.00 -0.05 -0.13 -0.04 1.67 1.45 2w02B1 ARG 38 HD2 0.01 -0.07 -0.04 -0.04 3.22 3.08 2w02B1 ARG 38 HD3 -0.01 0.17 -0.05 -0.04 3.22 3.29 2w02B1 TYR 39 H -0.01 0.16 0.07 -0.55 8.29 7.96 2w02B1 TYR 39 HA -0.13 0.32 1.01 -0.75 4.56 5.01 2w02B1 TYR 39 HB2 -0.06 -0.06 0.22 -0.04 3.06 3.12 2w02B1 TYR 39 HB3 -0.11 0.03 0.11 -0.04 2.98 2.96 2w02B1 TYR 39 HD2 -0.08 0.09 -0.04 -0.04 7.15 7.08 2w02B1 TYR 39 HE2 -0.05 0.05 -0.05 -0.04 6.85 6.76 2w02B1 GLU 40 H -0.11 0.34 -0.07 -0.55 8.60 8.21 2w02B1 GLU 40 HA -0.09 0.10 0.63 -0.75 4.29 4.18 2w02B1 GLU 40 HB2 0.05 0.03 0.00 -0.04 2.09 2.14 2w02B1 GLU 40 HB3 0.02 0.05 -0.20 -0.04 1.99 1.82 2w02B1 GLU 40 HG2 -0.02 -0.06 -0.29 -0.04 2.34 1.92 2w02B1 GLU 40 HG3 0.03 0.03 -0.33 -0.04 2.34 2.02 2w02B1 TRP 41 H 0.16 0.10 0.09 -0.55 7.97 7.77 2w02B1 TRP 41 HA -0.06 0.12 0.62 -0.75 4.62 4.55 2w02B1 TRP 41 HB2 -0.14 -0.04 0.06 -0.04 3.23 3.06 2w02B1 TRP 41 HB3 -0.25 0.11 -0.02 -0.04 3.23 3.04 2w02B1 TRP 41 HD1 -0.16 -0.02 0.04 -0.04 7.22 7.03 2w02B1 TRP 41 HE1 -0.41 -0.00 0.00 -0.04 10.20 9.75 2w02B1 TRP 41 HE3 -0.47 0.04 -0.03 -0.04 7.59 7.09 2w02B1 TRP 41 HZ2 -1.20 0.00 -0.01 -0.04 7.44 6.19 2w02B1 TRP 41 HZ3 -0.47 -0.02 -0.08 -0.04 7.13 6.52 2w02B1 TRP 41 HH2 -0.00 0.07 -0.03 -0.04 7.19 7.18 2w02B1 PRO 42 HA 0.14 0.03 0.44 -0.51 4.44 4.54 2w02B1 PRO 42 HB2 0.05 0.01 -0.31 -0.04 2.28 1.99 2w02B1 PRO 42 HB3 0.40 0.03 0.01 -0.04 2.02 2.42 2w02B1 PRO 42 HG2 -0.72 0.02 -0.03 -0.04 2.03 1.26 2w02B1 PRO 42 HG3 0.07 0.06 -0.03 -0.04 2.03 2.09 2w02B1 PRO 42 HD2 -0.08 0.05 0.11 -0.04 3.68 3.72 2w02B1 PRO 42 HD3 0.07 0.24 0.13 -0.04 3.65 4.05 2w02B1 ASP 43 H 0.09 0.11 0.09 -0.55 8.40 8.14 2w02B1 ASP 43 HA 0.02 0.11 0.50 -0.75 4.63 4.51 2w02B1 ASP 43 HB2 0.04 -0.05 0.15 -0.04 2.71 2.81 2w02B1 ASP 43 HB3 0.02 -0.01 -0.03 -0.04 2.70 2.64 2w02B1 GLU 44 H 0.08 0.11 -0.01 -0.55 8.60 8.23 2w02B1 GLU 44 HA 0.02 0.17 0.83 -0.75 4.29 4.56 2w02B1 GLU 44 HB2 0.01 0.05 -0.01 -0.04 2.09 2.11 2w02B1 GLU 44 HB3 0.03 0.02 0.10 -0.04 1.99 2.10 2w02B1 GLU 44 HG2 0.01 0.07 -0.00 -0.04 2.34 2.37 2w02B1 GLU 44 HG3 0.07 -0.29 -0.14 -0.04 2.34 1.93 2w02B1 MET 45 H 0.00 0.18 0.03 -0.55 8.47 8.13 2w02B1 MET 45 HA -0.03 0.24 0.74 -0.75 4.52 4.71 2w02B1 MET 45 HB2 -0.12 -0.01 -0.01 -0.04 2.15 1.97 2w02B1 MET 45 HB3 -0.37 0.01 0.09 -0.04 2.03 1.73 2w02B1 MET 45 HG2 -0.16 0.01 -0.37 -0.04 2.63 2.07 2w02B1 MET 45 HG3 -0.30 0.01 -0.09 -0.04 2.56 2.13 2w02B1 MET 45 HE3 -1.18 -0.01 -0.07 -0.04 2.10 0.80 2w02B1 LYS 46 H 0.12 0.04 -0.22 -0.55 8.42 7.81 2w02B1 LYS 46 HA 0.07 0.07 0.38 -0.75 4.32 4.09 2w02B1 LYS 46 HB2 0.04 -0.02 0.08 -0.04 1.87 1.93 2w02B1 LYS 46 HB3 0.06 -0.00 0.08 -0.04 1.79 1.88 2w02B1 LYS 46 HG2 0.06 0.07 -0.16 -0.04 1.46 1.39 2w02B1 LYS 46 HG3 0.04 -0.01 0.02 -0.04 1.46 1.47 2w02B1 LYS 46 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.64 2w02B1 LYS 46 HD3 0.02 0.01 -0.04 -0.04 1.68 1.62 2w02B1 LYS 46 HE2 0.03 0.03 -0.06 -0.04 2.99 2.95 2w02B1 LYS 46 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 2w02B1 GLY 47 H 0.09 0.16 0.14 -0.55 8.43 8.27 2w02B1 GLY 47 HA2 0.14 -0.03 0.35 -0.51 4.01 3.96 2w02B1 GLY 47 HA3 0.23 0.30 0.85 -0.51 4.01 4.88 2w02B1 ILE 48 H 0.01 0.45 -0.14 -0.55 8.25 8.01 2w02B1 ILE 48 HA -0.41 0.13 0.62 -0.75 4.18 3.77 2w02B1 ILE 48 HB -0.28 0.03 0.08 -0.04 1.89 1.68 2w02B1 ILE 48 HG12 -0.87 -0.00 -0.19 -0.04 1.49 0.39 2w02B1 ILE 48 HG13 -0.49 0.00 -0.21 -0.04 1.21 0.48 2w02B1 ILE 48 HG23 -0.44 0.03 -0.10 -0.04 0.93 0.38 2w02B1 ILE 48 HD13 -1.88 -0.01 -0.08 -0.04 0.88 -1.14 2w02B1 PRO 49 HA 0.07 0.15 0.59 -0.51 4.44 4.74 2w02B1 PRO 49 HB2 0.07 -0.10 0.03 -0.04 2.28 2.24 2w02B1 PRO 49 HB3 0.10 0.07 0.10 -0.04 2.02 2.25 2w02B1 PRO 49 HG2 0.14 -0.13 0.06 -0.04 2.03 2.06 2w02B1 PRO 49 HG3 0.20 0.09 0.07 -0.04 2.03 2.35 2w02B1 PRO 49 HD2 -0.13 0.08 0.22 -0.04 3.68 3.80 2w02B1 PRO 49 HD3 0.18 0.31 0.21 -0.04 3.65 4.31 2w02B1 PRO 50 HA -0.52 0.10 0.38 -0.51 4.44 3.89 2w02B1 PRO 50 HB2 0.06 0.07 -0.01 -0.04 2.28 2.37 2w02B1 PRO 50 HB3 -0.06 0.05 0.10 -0.04 2.02 2.06 2w02B1 PRO 50 HG2 0.03 -0.02 0.12 -0.04 2.03 2.12 2w02B1 PRO 50 HG3 0.02 0.07 0.09 -0.04 2.03 2.17 2w02B1 PRO 50 HD2 0.04 0.08 0.25 -0.04 3.68 4.01 2w02B1 PRO 50 HD3 0.03 0.18 0.19 -0.04 3.65 4.02 2w02B1 GLY 51 H 0.01 0.09 -0.17 -0.55 8.43 7.81 2w02B1 GLY 51 HA2 0.01 0.27 0.36 -0.51 4.01 4.14 2w02B1 GLY 51 HA3 0.03 0.01 0.24 -0.51 4.01 3.78 2w02B1 ALA 52 H 0.07 0.28 -0.42 -0.55 8.40 7.78 2w02B1 ALA 52 HA 0.19 0.04 0.58 -0.75 4.34 4.39 2w02B1 ALA 52 HB3 0.23 0.01 0.06 -0.04 1.41 1.68 2w02B1 TYR 53 H -0.07 0.36 -0.17 -0.55 8.29 7.86 2w02B1 TYR 53 HA 0.30 0.24 0.89 -0.75 4.56 5.24 2w02B1 TYR 53 HB2 0.68 -0.05 0.04 -0.04 3.06 3.69 2w02B1 TYR 53 HB3 0.46 -0.00 -0.21 -0.04 2.98 3.19 2w02B1 TYR 53 HD2 0.26 -0.06 -0.16 -0.04 7.15 7.16 2w02B1 TYR 53 HE2 0.02 0.01 -0.25 -0.04 6.85 6.60 2w02B1 PHE 54 H 0.05 0.42 0.08 -0.55 8.34 8.33 2w02B1 PHE 54 HA 0.19 0.18 0.85 -0.75 4.62 5.08 2w02B1 PHE 54 HB2 0.17 0.03 -0.16 -0.04 3.15 3.14 2w02B1 PHE 54 HB3 -0.28 0.14 0.04 -0.04 3.06 2.92 2w02B1 PHE 54 HD2 -0.22 0.02 -0.24 -0.04 7.28 6.80 2w02B1 PHE 54 HE2 -0.16 0.08 -0.30 -0.04 7.38 6.96 2w02B1 PHE 54 HZ -0.10 0.18 -0.20 -0.04 7.32 7.16 2w02B1 ASP 55 H -0.30 0.57 0.20 -0.55 8.40 8.32 2w02B1 ASP 55 HA -0.22 0.23 0.42 -0.75 4.63 4.30 2w02B1 ASP 55 HB2 -0.12 0.02 0.15 -0.04 2.71 2.72 2w02B1 ASP 55 HB3 -0.07 0.08 -0.00 -0.04 2.70 2.67 2w02B1 GLY 56 H -2.18 0.11 -0.41 -0.55 8.43 5.41 2w02B1 GLY 56 HA2 -0.60 0.02 0.28 -0.51 4.01 3.20 2w02B1 GLY 56 HA3 -0.34 0.22 0.81 -0.51 4.01 4.19 2w02B1 ALA 57 H -0.49 -0.10 -0.13 -0.55 8.40 7.14 2w02B1 ALA 57 HA -0.06 0.21 0.88 -0.75 4.34 4.62 2w02B1 ALA 57 HB3 -0.10 0.01 -0.06 -0.04 1.41 1.22 2w02B1 ASP 58 H -0.25 -0.01 0.19 -0.55 8.40 7.78 2w02B1 ASP 58 HA -0.31 0.16 0.82 -0.75 4.63 4.54 2w02B1 ASP 58 HB2 -0.08 -0.04 -0.33 -0.04 2.71 2.22 2w02B1 ASP 58 HB3 -0.02 0.12 -0.05 -0.04 2.70 2.70 2w02B1 TRP 59 H -0.34 0.12 0.18 -0.55 7.97 7.37 2w02B1 TRP 59 HA 0.36 0.28 0.74 -0.75 4.62 5.25 2w02B1 TRP 59 HB2 0.31 0.04 0.07 -0.04 3.23 3.61 2w02B1 TRP 59 HB3 0.60 0.11 0.05 -0.04 3.23 3.95 2w02B1 TRP 59 HD1 0.28 0.02 0.07 -0.04 7.22 7.55 2w02B1 TRP 59 HE1 0.09 -0.01 0.03 -0.04 10.20 10.27 2w02B1 TRP 59 HE3 0.47 0.22 -0.06 -0.04 7.59 8.18 2w02B1 TRP 59 HZ2 -0.21 -0.01 -0.01 -0.04 7.44 7.17 2w02B1 TRP 59 HZ3 0.08 -0.02 -0.11 -0.04 7.13 7.04 2w02B1 TRP 59 HH2 -0.26 -0.02 -0.05 -0.04 7.19 6.82 2w02B1 LYS 60 H 0.48 0.52 0.04 -0.55 8.42 8.91 2w02B1 LYS 60 HA 0.15 0.06 0.64 -0.75 4.32 4.42 2w02B1 LYS 60 HB2 0.21 0.04 0.10 -0.04 1.87 2.19 2w02B1 LYS 60 HB3 0.11 0.03 0.05 -0.04 1.79 1.94 2w02B1 LYS 60 HG2 0.06 -0.05 -0.10 -0.04 1.46 1.33 2w02B1 LYS 60 HG3 0.15 -0.13 -0.39 -0.04 1.46 1.05 2w02B1 LYS 60 HD2 0.13 0.21 -0.16 -0.04 1.69 1.83 2w02B1 LYS 60 HD3 0.07 0.05 0.00 -0.04 1.68 1.77 2w02B1 LYS 60 HE2 -0.01 -0.10 -0.08 -0.04 2.99 2.76 2w02B1 LYS 60 HE3 0.01 -0.09 -0.45 -0.04 2.99 2.42 2w02B1 GLY 61 H 0.20 0.29 -0.23 -0.55 8.43 8.14 2w02B1 GLY 61 HA2 0.08 -0.03 0.26 -0.51 4.01 3.80 2w02B1 GLY 61 HA3 0.05 0.21 0.46 -0.51 4.01 4.22 2w02B1 ILE 62 H -0.04 0.84 0.36 -0.55 8.25 8.86 2w02B1 ILE 62 HA -0.12 0.15 0.73 -0.75 4.18 4.19 2w02B1 ILE 62 HB -0.08 -0.04 -0.08 -0.04 1.89 1.65 2w02B1 ILE 62 HG12 -0.05 0.02 -0.14 -0.04 1.49 1.28 2w02B1 ILE 62 HG13 -0.02 -0.10 -0.42 -0.04 1.21 0.64 2w02B1 ILE 62 HG23 -0.10 0.05 -0.14 -0.04 0.93 0.70 2w02B1 ILE 62 HD13 -0.13 -0.02 -0.26 -0.04 0.88 0.43 2w02B1 PRO 63 HA -0.66 0.06 0.51 -0.51 4.44 3.84 2w02B1 PRO 63 HB2 -0.60 0.30 -0.34 -0.04 2.28 1.59 2w02B1 PRO 63 HB3 -1.62 -0.02 -0.06 -0.04 2.02 0.28 2w02B1 PRO 63 HG2 -0.67 -0.02 -0.27 -0.04 2.03 1.04 2w02B1 PRO 63 HG3 -2.56 -0.02 -0.15 -0.04 2.03 -0.74 2w02B1 PRO 63 HD2 -0.41 0.07 0.13 -0.04 3.68 3.44 2w02B1 PRO 63 HD3 -0.98 0.15 0.08 -0.04 3.65 2.86 2w02B1 MET 64 H -0.53 0.54 0.37 -0.55 8.47 8.30 2w02B1 MET 64 HA -0.22 0.20 1.08 -0.75 4.52 4.82 2w02B1 MET 64 HB2 -0.05 -0.02 -0.02 -0.04 2.15 2.02 2w02B1 MET 64 HB3 -0.17 0.04 0.17 -0.04 2.03 2.03 2w02B1 MET 64 HG2 -0.18 0.04 -0.34 -0.04 2.63 2.10 2w02B1 MET 64 HG3 -0.36 -0.01 -0.07 -0.04 2.56 2.08 2w02B1 MET 64 HE3 0.08 -0.00 -0.11 -0.04 2.10 2.03 2w02B1 MET 65 H -0.18 0.73 0.39 -0.55 8.47 8.87 2w02B1 MET 65 HA 0.02 0.36 1.18 -0.75 4.52 5.33 2w02B1 MET 65 HB2 -0.02 0.01 0.12 -0.04 2.15 2.21 2w02B1 MET 65 HB3 0.06 -0.05 -0.06 -0.04 2.03 1.94 2w02B1 MET 65 HG2 0.21 0.02 -0.01 -0.04 2.63 2.81 2w02B1 MET 65 HG3 0.11 0.09 -0.15 -0.04 2.56 2.56 2w02B1 MET 65 HE3 0.28 -0.02 -0.10 -0.04 2.10 2.22 2w02B1 ILE 66 H 0.07 0.63 0.34 -0.55 8.25 8.73 2w02B1 ILE 66 HA 0.02 0.39 1.06 -0.75 4.18 4.89 2w02B1 ILE 66 HB 0.02 -0.09 0.10 -0.04 1.89 1.88 2w02B1 ILE 66 HG12 -0.02 0.05 -0.13 -0.04 1.49 1.34 2w02B1 ILE 66 HG13 -0.05 -0.06 -0.51 -0.04 1.21 0.56 2w02B1 ILE 66 HG23 0.06 0.00 -0.25 -0.04 0.93 0.69 2w02B1 ILE 66 HD13 0.01 -0.02 -0.14 -0.04 0.88 0.68 2w02B1 GLY 67 H 0.03 0.44 0.22 -0.55 8.43 8.58 2w02B1 GLY 67 HA2 -0.03 0.11 0.88 -0.51 4.01 4.46 2w02B1 GLY 67 HA3 -0.04 -0.02 0.34 -0.51 4.01 3.79 2w02B1 LEU 68 H -0.12 1.07 0.40 -0.55 8.37 9.17 2w02B1 LEU 68 HA -0.37 0.24 0.89 -0.75 4.35 4.35 2w02B1 LEU 68 HB2 -0.14 -0.03 0.15 -0.04 1.64 1.58 2w02B1 LEU 68 HB3 -0.18 -0.05 0.04 -0.04 1.64 1.41 2w02B1 LEU 68 HG -0.08 0.04 -0.53 -0.04 1.64 1.03 2w02B1 LEU 68 HD13 -0.05 -0.02 -0.14 -0.04 0.93 0.68 2w02B1 LEU 68 HD23 -0.08 0.00 -0.11 -0.04 0.89 0.67 2w02B1 PRO 69 HA -0.20 0.03 0.21 -0.51 4.44 3.97 2w02B1 PRO 69 HB2 -0.10 0.04 0.01 -0.04 2.28 2.19 2w02B1 PRO 69 HB3 -0.09 0.03 0.14 -0.04 2.02 2.05 2w02B1 PRO 69 HG2 -0.30 0.07 0.08 -0.04 2.03 1.84 2w02B1 PRO 69 HG3 -0.55 0.08 0.07 -0.04 2.03 1.59 2w02B1 PRO 69 HD2 -0.40 0.10 0.16 -0.04 3.68 3.50 2w02B1 PRO 69 HD3 -0.95 0.33 0.30 -0.04 3.65 3.29 2w02B1 ASP 70 H -0.33 0.14 -0.52 -0.55 8.40 7.15 2w02B1 ASP 70 HA -0.37 0.20 0.88 -0.75 4.63 4.58 2w02B1 ASP 70 HB2 -0.28 -0.01 0.17 -0.04 2.71 2.55 2w02B1 ASP 70 HB3 -0.96 0.02 0.05 -0.04 2.70 1.76 2w02B1 GLN 71 H -0.17 0.13 -0.22 -0.55 8.47 7.66 2w02B1 GLN 71 HA -0.12 -0.00 0.25 -0.75 4.36 3.73 2w02B1 GLN 71 HB2 -0.11 0.22 0.18 -0.04 2.15 2.40 2w02B1 GLN 71 HB3 -0.10 0.01 0.28 -0.04 2.02 2.17 2w02B1 GLN 71 HG2 -0.08 -0.01 0.02 -0.04 2.40 2.29 2w02B1 GLN 71 HG3 -0.09 -0.01 -0.13 -0.04 2.39 2.12 2w02B1 GLN 71 HE21 -0.05 -0.04 -0.01 -0.04 6.97 6.83 2w02B1 GLN 71 HE22 -0.06 -0.01 -0.00 -0.04 7.69 7.58 2w02B1 LEU 72 H -0.16 0.32 0.02 -0.55 8.37 8.01 2w02B1 LEU 72 HA -0.12 0.28 0.90 -0.75 4.35 4.66 2w02B1 LEU 72 HB2 -0.12 -0.00 -0.04 -0.04 1.64 1.44 2w02B1 LEU 72 HB3 -0.12 -0.09 0.11 -0.04 1.64 1.50 2w02B1 LEU 72 HG -0.04 0.06 -0.25 -0.04 1.64 1.37 2w02B1 LEU 72 HD13 -0.06 0.02 -0.09 -0.04 0.93 0.75 2w02B1 LEU 72 HD23 -0.07 -0.03 -0.10 -0.04 0.89 0.65 2w02B1 GLN 73 H -0.11 0.63 0.41 -0.55 8.47 8.85 2w02B1 GLN 73 HA 0.04 0.32 1.13 -0.75 4.36 5.09 2w02B1 GLN 73 HB2 -0.20 -0.02 0.11 -0.04 2.15 2.00 2w02B1 GLN 73 HB3 0.28 0.00 -0.02 -0.04 2.02 2.23 2w02B1 GLN 73 HG2 0.03 -0.00 -0.05 -0.04 2.40 2.34 2w02B1 GLN 73 HG3 -0.07 0.01 -0.37 -0.04 2.39 1.92 2w02B1 GLN 73 HE21 0.04 -0.07 -0.06 -0.04 6.97 6.84 2w02B1 GLN 73 HE22 0.08 0.02 -0.09 -0.04 7.69 7.66 2w02B1 LEU 74 H 0.16 0.57 0.36 -0.55 8.37 8.91 2w02B1 LEU 74 HA 0.33 0.32 1.05 -0.75 4.35 5.30 2w02B1 LEU 74 HB2 0.07 -0.03 -0.01 -0.04 1.64 1.63 2w02B1 LEU 74 HB3 0.06 -0.03 0.16 -0.04 1.64 1.79 2w02B1 LEU 74 HG 0.07 0.06 0.02 -0.04 1.64 1.75 2w02B1 LEU 74 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 2w02B1 LEU 74 HD23 -0.03 -0.01 -0.34 -0.04 0.89 0.47 2w02B1 PHE 75 H 0.29 0.64 0.36 -0.55 8.34 9.07 2w02B1 PHE 75 HA -0.14 0.40 1.02 -0.75 4.62 5.14 2w02B1 PHE 75 HB2 -0.87 -0.02 -0.03 -0.04 3.15 2.18 2w02B1 PHE 75 HB3 -0.84 -0.06 0.09 -0.04 3.06 2.20 2w02B1 PHE 75 HD2 -0.34 0.01 -0.11 -0.04 7.28 6.79 2w02B1 PHE 75 HE2 -0.34 -0.01 -0.12 -0.04 7.38 6.87 2w02B1 PHE 75 HZ -0.17 -0.01 -0.14 -0.04 7.32 6.96 2w02B1 VAL 76 H -0.65 0.67 0.35 -0.55 8.24 8.06 2w02B1 VAL 76 HA -0.37 0.15 0.57 -0.75 4.13 3.73 2w02B1 VAL 76 HB -0.12 -0.00 -0.17 -0.04 2.12 1.79 2w02B1 VAL 76 HG13 -0.08 -0.00 -0.15 -0.04 0.97 0.69 2w02B1 VAL 76 HG23 -0.06 0.05 -0.08 -0.04 0.95 0.81 2w02B1 MET 77 H -0.24 0.18 0.12 -0.55 8.47 7.98 2w02B1 MET 77 HA -0.33 0.17 0.83 -0.75 4.52 4.44 2w02B1 MET 77 HB2 0.01 -0.07 0.04 -0.04 2.15 2.09 2w02B1 MET 77 HB3 0.01 0.37 0.02 -0.04 2.03 2.39 2w02B1 MET 77 HG2 0.02 -0.08 -0.09 -0.04 2.63 2.44 2w02B1 MET 77 HG3 0.24 0.05 0.02 -0.04 2.56 2.83 2w02B1 MET 77 HE3 0.08 -0.01 -0.47 -0.04 2.10 1.66 2w02B1 VAL 78 H -0.11 0.67 0.37 -0.55 8.24 8.62 2w02B1 VAL 78 HA -0.02 0.29 1.12 -0.75 4.13 4.77 2w02B1 VAL 78 HB -0.06 -0.07 0.07 -0.04 2.12 2.03 2w02B1 VAL 78 HG13 0.07 0.02 -0.27 -0.04 0.97 0.74 2w02B1 VAL 78 HG23 0.05 -0.01 -0.09 -0.04 0.95 0.85 2w02B1 ASP 79 H -0.03 0.32 0.27 -0.55 8.40 8.41 2w02B1 ASP 79 HA 0.00 0.13 0.71 -0.75 4.63 4.72 2w02B1 ASP 79 HB2 0.02 -0.02 0.18 -0.04 2.71 2.85 2w02B1 ASP 79 HB3 0.03 0.05 0.07 -0.04 2.70 2.80 2w02B1 ARG 80 H -0.05 0.22 -0.33 -0.55 8.46 7.75 2w02B1 ARG 80 HA -0.07 0.11 0.79 -0.75 4.34 4.41 2w02B1 ARG 80 HB2 -0.02 -0.09 -0.47 -0.04 1.90 1.28 2w02B1 ARG 80 HB3 -0.05 -0.04 -0.04 -0.04 1.80 1.62 2w02B1 ARG 80 HG2 -0.04 0.19 -0.30 -0.04 1.67 1.49 2w02B1 ARG 80 HG3 -0.02 0.01 0.00 -0.04 1.67 1.62 2w02B1 ARG 80 HD2 -0.04 0.17 0.04 -0.04 3.22 3.34 2w02B1 ARG 80 HD3 0.01 0.01 -0.05 -0.04 3.22 3.14 2w02B1 ARG 81 H -0.19 0.15 0.14 -0.55 8.46 8.00 2w02B1 ARG 81 HA -0.52 0.15 0.77 -0.75 4.34 3.99 2w02B1 ARG 81 HB2 -0.27 -0.02 0.13 -0.04 1.90 1.70 2w02B1 ARG 81 HB3 -0.37 0.03 -0.03 -0.04 1.80 1.40 2w02B1 ARG 81 HG2 -2.08 0.05 0.02 -0.04 1.67 -0.38 2w02B1 ARG 81 HG3 -0.59 -0.04 -0.03 -0.04 1.67 0.97 2w02B1 ARG 81 HD2 -0.24 -0.02 0.01 -0.04 3.22 2.93 2w02B1 ARG 81 HD3 -0.31 0.02 -0.00 -0.04 3.22 2.89 2w02B1 ASP 82 H 0.06 0.27 0.02 -0.55 8.40 8.20 2w02B1 ASP 82 HA -0.05 0.12 0.66 -0.75 4.63 4.61 2w02B1 ASP 82 HB2 0.00 0.12 -0.37 -0.04 2.71 2.42 2w02B1 ASP 82 HB3 0.04 -0.14 -0.15 -0.04 2.70 2.41 2w02B1 THR 83 H -0.18 0.20 0.11 -0.55 8.28 7.86 2w02B1 THR 83 HA -0.06 0.13 0.40 -0.75 4.39 4.10 2w02B1 THR 83 HB -0.25 0.14 0.00 -0.04 4.32 4.18 2w02B1 THR 83 HG23 -0.21 0.01 -0.10 -0.04 1.22 0.88 2w02B1 PHE 84 H -0.05 0.01 -0.10 -0.55 8.34 7.64 2w02B1 PHE 84 HA -0.05 0.24 0.64 -0.75 4.62 4.70 2w02B1 PHE 84 HB2 0.05 -0.07 0.03 -0.04 3.15 3.11 2w02B1 PHE 84 HB3 0.05 0.05 0.10 -0.04 3.06 3.22 2w02B1 PHE 84 HD2 0.01 0.06 -0.12 -0.04 7.28 7.18 2w02B1 PHE 84 HE2 -0.43 0.03 -0.20 -0.04 7.38 6.74 2w02B1 PHE 84 HZ -0.55 -0.03 -0.08 -0.04 7.32 6.62 2w02B1 GLY 85 H 0.10 0.18 -0.67 -0.55 8.43 7.49 2w02B1 GLY 85 HA2 0.08 0.06 0.10 -0.51 4.01 3.74 2w02B1 GLY 85 HA3 0.09 0.08 0.19 -0.51 4.01 3.86 2w02B1 SER 86 H 0.11 -0.06 -0.43 -0.55 8.46 7.54 2w02B1 SER 86 HA -0.01 0.18 0.67 -0.75 4.49 4.57 2w02B1 SER 86 HB2 0.17 -0.13 0.02 -0.04 3.95 3.97 2w02B1 SER 86 HB3 0.04 0.02 -0.07 -0.04 3.93 3.88 2w02B1 GLN 87 H -0.22 0.42 0.07 -0.55 8.47 8.19 2w02B1 GLN 87 HA -0.18 0.04 0.33 -0.75 4.36 3.80 2w02B1 GLN 87 HB2 -0.12 -0.12 0.06 -0.04 2.15 1.92 2w02B1 GLN 87 HB3 -0.07 0.09 -0.26 -0.04 2.02 1.74 2w02B1 GLN 87 HG2 -0.53 -0.01 -0.39 -0.04 2.40 1.43 2w02B1 GLN 87 HG3 -0.06 0.02 -0.18 -0.04 2.39 2.13 2w02B1 GLN 87 HE21 0.09 0.23 -0.07 -0.04 6.97 7.19 2w02B1 GLN 87 HE22 -0.33 -0.06 -0.09 -0.04 7.69 7.17 2w02B1 HIS 88 H -0.13 0.06 0.12 -0.55 8.41 7.92 2w02B1 HIS 88 HA -0.34 0.19 0.86 -0.75 4.63 4.59 2w02B1 HIS 88 HB2 -0.09 -0.12 0.11 -0.04 3.26 3.13 2w02B1 HIS 88 HB3 -0.07 0.12 -0.05 -0.04 3.20 3.16 2w02B1 HIS 88 HD2 -0.06 -0.07 0.02 -0.04 6.97 6.82 2w02B1 HIS 88 HE1 -0.00 0.02 -0.03 -0.04 7.75 7.69 2w02B1 TYR 89 H -0.32 0.19 0.16 -0.55 8.29 7.77 2w02B1 TYR 89 HA -0.08 0.19 0.85 -0.75 4.56 4.76 2w02B1 TYR 89 HB2 -0.52 -0.01 0.20 -0.04 3.06 2.69 2w02B1 TYR 89 HB3 -0.18 0.08 0.10 -0.04 2.98 2.94 2w02B1 TYR 89 HD2 -0.70 0.00 -0.02 -0.04 7.15 6.40 2w02B1 TYR 89 HE2 -0.09 0.03 -0.02 -0.04 6.85 6.73 2w02B1 LEU 90 H 0.06 0.85 0.34 -0.55 8.37 9.07 2w02B1 LEU 90 HA 0.08 0.12 0.70 -0.75 4.35 4.50 2w02B1 LEU 90 HB2 0.05 0.12 -0.11 -0.04 1.64 1.66 2w02B1 LEU 90 HB3 0.06 -0.05 0.08 -0.04 1.64 1.69 2w02B1 LEU 90 HG 0.03 0.03 -0.28 -0.04 1.64 1.39 2w02B1 LEU 90 HD13 0.03 -0.00 -0.32 -0.04 0.93 0.60 2w02B1 LEU 90 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.72 2w02B1 SER 91 H 0.09 0.21 0.06 -0.55 8.46 8.27 2w02B1 SER 91 HA 0.14 0.11 0.58 -0.75 4.49 4.56 2w02B1 SER 91 HB2 0.24 -0.11 0.28 -0.04 3.95 4.31 2w02B1 SER 91 HB3 0.15 0.28 0.13 -0.04 3.93 4.44 2w02B1 ASP 92 H 0.18 0.08 0.14 -0.55 8.40 8.25 2w02B1 ASP 92 HA 0.08 0.07 0.62 -0.75 4.63 4.64 2w02B1 ASP 92 HB2 0.15 -0.03 0.01 -0.04 2.71 2.80 2w02B1 ASP 92 HB3 -0.10 0.08 0.06 -0.04 2.70 2.71 2w02B1 VAL 93 H -0.02 0.09 0.18 -0.55 8.24 7.93 2w02B1 VAL 93 HA 0.06 0.27 0.86 -0.75 4.13 4.57 2w02B1 VAL 93 HB -0.03 -0.07 0.15 -0.04 2.12 2.13 2w02B1 VAL 93 HG13 0.02 -0.00 -0.13 -0.04 0.97 0.82 2w02B1 VAL 93 HG23 -0.09 0.00 -0.02 -0.04 0.95 0.80 2w02B1 TYR 94 H 0.30 0.60 0.39 -0.55 8.29 9.02 2w02B1 TYR 94 HA 0.19 0.36 1.08 -0.75 4.56 5.44 2w02B1 TYR 94 HB2 0.04 -0.01 0.09 -0.04 3.06 3.14 2w02B1 TYR 94 HB3 0.31 -0.06 -0.07 -0.04 2.98 3.12 2w02B1 TYR 94 HD2 0.19 0.06 -0.39 -0.04 7.15 6.97 2w02B1 TYR 94 HE2 0.13 0.02 -0.10 -0.04 6.85 6.86 2w02B1 LEU 95 H 0.37 0.59 0.41 -0.55 8.37 9.19 2w02B1 LEU 95 HA 0.39 0.40 1.17 -0.75 4.35 5.56 2w02B1 LEU 95 HB2 0.09 -0.05 0.09 -0.04 1.64 1.72 2w02B1 LEU 95 HB3 0.05 0.01 0.02 -0.04 1.64 1.68 2w02B1 LEU 95 HG 0.09 -0.03 -0.28 -0.04 1.64 1.38 2w02B1 LEU 95 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.81 2w02B1 LEU 95 HD23 0.08 0.03 -0.05 -0.04 0.89 0.91 2w02B1 ARG 96 H -0.10 0.61 0.33 -0.55 8.46 8.75 2w02B1 ARG 96 HA -0.32 0.21 0.71 -0.75 4.34 4.18 2w02B1 ARG 96 HB2 -2.27 -0.03 -0.31 -0.04 1.90 -0.75 2w02B1 ARG 96 HB3 -1.19 -0.00 -0.01 -0.04 1.80 0.56 2w02B1 ARG 96 HG2 -0.53 0.16 -0.38 -0.04 1.67 0.88 2w02B1 ARG 96 HG3 -0.62 0.01 -0.36 -0.04 1.67 0.66 2w02B1 ARG 96 HD2 -0.59 -0.16 -0.07 -0.04 3.22 2.36 2w02B1 ARG 96 HD3 -1.96 0.01 -0.13 -0.04 3.22 1.10 2w02B1 GLN 97 H -0.20 0.19 -0.04 -0.55 8.47 7.87 2w02B1 GLN 97 HA -0.15 0.38 0.79 -0.75 4.36 4.62 2w02B1 GLN 97 HB2 -0.10 -0.05 -0.11 -0.04 2.15 1.85 2w02B1 GLN 97 HB3 -0.10 0.04 0.08 -0.04 2.02 2.01 2w02B1 GLN 97 HG2 -0.07 -0.05 0.01 -0.04 2.40 2.25 2w02B1 GLN 97 HG3 -0.09 0.04 0.07 -0.04 2.39 2.36 2w02B1 GLN 97 HE21 -0.11 0.16 -0.06 -0.04 6.97 6.91 2w02B1 GLN 97 HE22 -0.09 -0.03 0.03 -0.04 7.69 7.55 2w02B1 GLY 100 HA2 -0.22 -0.01 -1.41 -0.51 4.01 1.86 2w02B1 GLY 100 HA3 -0.17 -0.09 0.12 -0.51 4.01 3.37 2w02B1 ASP 101 H -0.31 0.02 -0.05 -0.55 8.40 7.51 2w02B1 ASP 101 HA -0.11 -0.00 0.40 -0.75 4.63 4.16 2w02B1 ASP 101 HB2 -0.05 0.39 0.31 -0.04 2.71 3.31 2w02B1 ASP 101 HB3 0.00 0.02 0.02 -0.04 2.70 2.70 2w02B1 TRP 102 H 0.08 0.36 0.17 -0.55 7.97 8.03 2w02B1 TRP 102 HA 0.07 0.21 0.35 -0.75 4.62 4.49 2w02B1 TRP 102 HB2 -0.00 -0.08 -0.18 -0.04 3.23 2.93 2w02B1 TRP 102 HB3 0.16 0.01 -0.21 -0.04 3.23 3.15 2w02B1 TRP 102 HD1 -0.11 -0.00 -0.35 -0.04 7.22 6.72 2w02B1 TRP 102 HE1 -0.14 0.34 0.08 -0.04 10.20 10.45 2w02B1 TRP 102 HE3 0.16 -0.01 -0.59 -0.04 7.59 7.10 2w02B1 TRP 102 HZ2 -0.04 -0.04 -0.09 -0.04 7.44 7.23 2w02B1 TRP 102 HZ3 0.11 0.17 -0.39 -0.04 7.13 6.97 2w02B1 TRP 102 HH2 0.06 0.00 -0.33 -0.04 7.19 6.88 2w02B1 GLN 103 H 0.37 0.49 0.42 -0.55 8.47 9.21 2w02B1 GLN 103 HA 0.21 0.15 0.88 -0.75 4.36 4.85 2w02B1 GLN 103 HB2 0.09 0.00 0.12 -0.04 2.15 2.32 2w02B1 GLN 103 HB3 0.07 -0.08 -0.00 -0.04 2.02 1.96 2w02B1 GLN 103 HG2 0.07 -0.00 -0.06 -0.04 2.40 2.37 2w02B1 GLN 103 HG3 0.06 0.26 -0.16 -0.04 2.39 2.50 2w02B1 GLN 103 HE21 -0.00 -0.06 -0.01 -0.04 6.97 6.86 2w02B1 GLN 103 HE22 0.01 0.06 -0.02 -0.04 7.69 7.70 2w02B1 CYS 104 H 0.06 0.18 0.09 -0.55 8.50 8.28 2w02B1 CYS 104 HA -0.26 0.35 0.99 -0.75 4.58 4.90 2w02B1 CYS 104 HB2 -1.08 0.00 0.02 -0.04 2.97 1.87 2w02B1 CYS 104 HB3 -0.15 -0.08 0.21 -0.04 2.97 2.92 2w02B1 PRO 105 HA 0.00 0.01 0.46 -0.51 4.44 4.40 2w02B1 PRO 105 HB2 -0.02 0.04 -0.08 -0.04 2.28 2.19 2w02B1 PRO 105 HB3 -0.00 -0.02 0.01 -0.04 2.02 1.96 2w02B1 PRO 105 HG2 -0.01 0.04 -0.03 -0.04 2.03 1.99 2w02B1 PRO 105 HG3 0.01 0.03 -0.07 -0.04 2.03 1.96 2w02B1 PRO 105 HD2 -0.05 0.14 0.15 -0.04 3.68 3.88 2w02B1 PRO 105 HD3 -0.02 0.31 -0.09 -0.04 3.65 3.80 2w02B1 ASP 106 H 0.02 0.05 0.16 -0.55 8.40 8.08 2w02B1 ASP 106 HA 0.05 0.15 0.49 -0.75 4.63 4.57 2w02B1 ASP 106 HB2 0.05 -0.03 0.09 -0.04 2.71 2.78 2w02B1 ASP 106 HB3 0.08 -0.10 0.17 -0.04 2.70 2.81 2w02B1 PHE 107 H 0.20 0.14 0.16 -0.55 8.34 8.29 2w02B1 PHE 107 HA -0.00 0.15 0.36 -0.75 4.62 4.37 2w02B1 PHE 107 HB2 -0.01 0.06 0.17 -0.04 3.15 3.33 2w02B1 PHE 107 HB3 0.00 -0.09 0.18 -0.04 3.06 3.12 2w02B1 PHE 107 HD2 -0.01 -0.01 0.02 -0.04 7.28 7.24 2w02B1 PHE 107 HE2 -0.03 0.01 0.03 -0.04 7.38 7.35 2w02B1 PHE 107 HZ -0.02 0.09 -0.02 -0.04 7.32 7.34 2w02B1 GLU 108 H 0.15 0.07 -0.06 -0.55 8.60 8.21 2w02B1 GLU 108 HA -0.13 0.07 0.31 -0.75 4.29 3.78 2w02B1 GLU 108 HB2 0.08 0.02 0.09 -0.04 2.09 2.23 2w02B1 GLU 108 HB3 0.12 0.03 0.00 -0.04 1.99 2.09 2w02B1 GLU 108 HG2 0.16 0.02 0.03 -0.04 2.34 2.51 2w02B1 GLU 108 HG3 0.19 -0.05 0.08 -0.04 2.34 2.52 2w02B1 PRO 109 HA -0.02 0.07 0.51 -0.51 4.44 4.49 2w02B1 PRO 109 HB2 -0.02 0.08 -0.08 -0.04 2.28 2.23 2w02B1 PRO 109 HB3 -0.01 0.03 0.06 -0.04 2.02 2.06 2w02B1 PRO 109 HG2 0.00 0.13 -0.02 -0.04 2.03 2.10 2w02B1 PRO 109 HG3 0.01 0.02 0.04 -0.04 2.03 2.06 2w02B1 PRO 109 HD2 0.04 -0.08 -0.35 -0.04 3.68 3.25 2w02B1 PRO 109 HD3 0.04 0.11 0.03 -0.04 3.65 3.79 2w02B1 LEU 110 H -0.05 0.56 -0.30 -0.55 8.37 8.03 2w02B1 LEU 110 HA -0.05 0.02 0.41 -0.75 4.35 3.98 2w02B1 LEU 110 HB2 -0.04 0.18 -0.02 -0.04 1.64 1.72 2w02B1 LEU 110 HB3 -0.11 0.08 0.17 -0.04 1.64 1.73 2w02B1 LEU 110 HG -0.06 -0.06 -0.16 -0.04 1.64 1.31 2w02B1 LEU 110 HD13 -0.03 -0.01 -0.03 -0.04 0.93 0.83 2w02B1 LEU 110 HD23 -0.00 0.02 0.00 -0.04 0.89 0.87 2w02B1 VAL 111 H -0.26 0.71 0.06 -0.55 8.24 8.20 2w02B1 VAL 111 HA -0.13 0.01 0.43 -0.75 4.13 3.68 2w02B1 VAL 111 HB -0.29 0.12 0.15 -0.04 2.12 2.05 2w02B1 VAL 111 HG13 -0.06 -0.02 -0.10 -0.04 0.97 0.75 2w02B1 VAL 111 HG23 -0.86 0.03 0.05 -0.04 0.95 0.13 2w02B1 ALA 112 H -0.01 0.45 -0.31 -0.55 8.40 7.99 2w02B1 ALA 112 HA -0.19 -0.04 0.34 -0.75 4.34 3.70 2w02B1 ALA 112 HB3 -0.20 0.03 0.10 -0.04 1.41 1.29 2w02B1 ARG 113 H -0.07 0.50 -0.31 -0.55 8.46 8.03 2w02B1 ARG 113 HA -0.08 0.02 0.45 -0.75 4.34 3.97 2w02B1 ARG 113 HB2 -0.05 0.15 0.18 -0.04 1.90 2.13 2w02B1 ARG 113 HB3 -0.05 -0.04 -0.03 -0.04 1.80 1.63 2w02B1 ARG 113 HG2 -0.06 -0.05 -0.01 -0.04 1.67 1.50 2w02B1 ARG 113 HG3 -0.06 0.09 0.03 -0.04 1.67 1.69 2w02B1 ARG 113 HD2 -0.03 -0.07 -0.07 -0.04 3.22 3.01 2w02B1 ARG 113 HD3 -0.03 0.01 -0.08 -0.04 3.22 3.08 2w02B1 LEU 114 H -0.07 0.62 0.02 -0.55 8.37 8.40 2w02B1 LEU 114 HA -0.07 0.05 0.51 -0.75 4.35 4.09 2w02B1 LEU 114 HB2 -0.06 0.04 0.12 -0.04 1.64 1.70 2w02B1 LEU 114 HB3 -0.06 -0.03 -0.01 -0.04 1.64 1.50 2w02B1 LEU 114 HG -0.06 0.25 -0.04 -0.04 1.64 1.74 2w02B1 LEU 114 HD13 -0.06 -0.02 -0.08 -0.04 0.93 0.73 2w02B1 LEU 114 HD23 -0.03 -0.01 -0.07 -0.04 0.89 0.74 2w02B1 LEU 115 H -0.06 0.72 -0.04 -0.55 8.37 8.45 2w02B1 LEU 115 HA -0.08 0.02 0.47 -0.75 4.35 4.01 2w02B1 LEU 115 HB2 0.01 0.09 0.11 -0.04 1.64 1.81 2w02B1 LEU 115 HB3 -0.05 0.08 0.07 -0.04 1.64 1.70 2w02B1 LEU 115 HG -0.03 -0.05 -0.10 -0.04 1.64 1.41 2w02B1 LEU 115 HD13 -0.02 0.00 0.01 -0.04 0.93 0.88 2w02B1 LEU 115 HD23 0.09 0.00 -0.04 -0.04 0.89 0.89 2w02B1 ALA 116 H -0.09 0.47 -0.29 -0.55 8.40 7.94 2w02B1 ALA 116 HA -0.07 -0.04 0.37 -0.75 4.34 3.85 2w02B1 ALA 116 HB3 -0.08 0.04 0.10 -0.04 1.41 1.43 2w02B1 ALA 117 H -0.10 0.46 -0.30 -0.55 8.40 7.91 2w02B1 ALA 117 HA -0.10 0.01 0.50 -0.75 4.34 4.00 2w02B1 ALA 117 HB3 -0.13 0.04 0.09 -0.04 1.41 1.37 2w02B1 CYS 118 H -0.19 0.47 -0.13 -0.55 8.50 8.10 2w02B1 CYS 118 HA -0.62 0.04 0.53 -0.75 4.58 3.78 2w02B1 CYS 118 HB2 -0.24 0.10 0.16 -0.04 2.97 2.95 2w02B1 CYS 118 HB3 -0.65 -0.05 -0.01 -0.04 2.97 2.22 2w02B1 GLU 119 H -0.11 0.79 0.00 -0.55 8.60 8.73 2w02B1 GLU 119 HA -0.04 0.15 0.49 -0.75 4.29 4.13 2w02B1 GLU 119 HB2 -0.04 0.07 0.03 -0.04 2.09 2.11 2w02B1 GLU 119 HB3 -0.04 -0.09 -0.20 -0.04 1.99 1.62 2w02B1 GLU 119 HG2 -0.03 0.04 0.11 -0.04 2.34 2.42 2w02B1 GLU 119 HG3 -0.06 0.29 -0.01 -0.04 2.34 2.52 2w02B1 HIS 120 H 0.02 0.40 -0.43 -0.55 8.41 7.86 2w02B1 HIS 120 HA -0.05 0.01 0.49 -0.75 4.63 4.34 2w02B1 HIS 120 HB2 -0.08 0.05 0.09 -0.04 3.26 3.28 2w02B1 HIS 120 HB3 -0.09 0.09 0.13 -0.04 3.20 3.28 2w02B1 HIS 120 HD2 -0.05 0.04 -0.41 -0.04 6.97 6.50 2w02B1 HIS 120 HE1 -0.04 -0.03 -0.01 -0.04 7.75 7.62 2w02B1 ILE 121 H 0.02 0.53 -0.04 -0.55 8.25 8.21 2w02B1 ILE 121 HA 0.14 0.02 0.47 -0.75 4.18 4.05 2w02B1 ILE 121 HB -0.06 0.05 0.22 -0.04 1.89 2.06 2w02B1 ILE 121 HG12 0.11 -0.02 0.06 -0.04 1.49 1.60 2w02B1 ILE 121 HG13 -0.01 0.02 0.10 -0.04 1.21 1.28 2w02B1 ILE 121 HG23 0.35 -0.01 -0.07 -0.04 0.93 1.17 2w02B1 ILE 121 HD13 -0.01 -0.03 -0.04 -0.04 0.88 0.76 2w02B1 ALA 122 H 0.02 0.72 -0.03 -0.55 8.40 8.57 2w02B1 ALA 122 HA 0.12 0.01 0.38 -0.75 4.34 4.10 2w02B1 ALA 122 HB3 0.09 -0.02 0.03 -0.04 1.41 1.48 2w02B1 GLY 123 H -0.03 0.27 -0.63 -0.55 8.43 7.49 2w02B1 GLY 123 HA2 -0.11 0.01 0.30 -0.51 4.01 3.70 2w02B1 GLY 123 HA3 -0.04 0.02 0.52 -0.51 4.01 4.00 2w02B1 ARG 124 H -0.02 0.32 -0.11 -0.55 8.46 8.09 2w02B1 ARG 124 HA -0.02 0.01 0.74 -0.75 4.34 4.31 2w02B1 ARG 124 HB2 0.01 0.05 -0.16 -0.04 1.90 1.76 2w02B1 ARG 124 HB3 0.00 0.04 -0.05 -0.04 1.80 1.76 2w02B1 ARG 124 HG2 -0.00 -0.09 0.03 -0.04 1.67 1.56 2w02B1 ARG 124 HG3 -0.01 0.18 -0.57 -0.04 1.67 1.23 2w02B1 ARG 124 HD2 0.01 -0.10 -0.02 -0.04 3.22 3.07 2w02B1 ARG 124 HD3 0.01 0.04 -0.09 -0.04 3.22 3.14 2w02B1 LYS 125 H -0.02 0.11 0.14 -0.55 8.42 8.10 2w02B1 LYS 125 HA -0.02 0.11 0.64 -0.75 4.32 4.30 2w02B1 LYS 125 HB2 -0.02 -0.00 0.08 -0.04 1.87 1.89 2w02B1 LYS 125 HB3 -0.02 -0.07 -0.01 -0.04 1.79 1.64 2w02B1 LYS 125 HG2 -0.04 0.02 -0.08 -0.04 1.46 1.32 2w02B1 LYS 125 HG3 -0.03 0.03 -0.12 -0.04 1.46 1.30 2w02B1 LYS 125 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.60 2w02B1 LYS 125 HD3 -0.04 -0.04 -0.03 -0.04 1.68 1.53 2w02B1 LYS 125 HE2 -0.04 -0.00 -0.05 -0.04 2.99 2.85 2w02B1 LYS 125 HE3 -0.03 0.06 -0.08 -0.04 2.99 2.89 2w02B1 ASN 126 H -0.01 0.15 0.03 -0.55 8.53 8.16 2w02B1 ASN 126 HA 0.01 0.20 0.70 -0.75 4.76 4.92 2w02B1 ASN 126 HB2 0.01 0.29 -0.12 -0.04 2.88 3.02 2w02B1 ASN 126 HB3 0.02 -0.05 0.14 -0.04 2.79 2.86 2w02B1 ASN 126 HD21 0.02 -0.07 0.02 -0.04 7.03 6.95 2w02B1 ASN 126 HD22 0.02 0.54 0.01 -0.04 7.74 8.27 2w02B1 PRO 127 HA 0.08 0.08 0.56 -0.51 4.44 4.65 2w02B1 PRO 127 HB2 0.05 0.04 -0.04 -0.04 2.28 2.30 2w02B1 PRO 127 HB3 0.01 0.07 0.08 -0.04 2.02 2.14 2w02B1 PRO 127 HG2 0.02 0.02 0.04 -0.04 2.03 2.08 2w02B1 PRO 127 HG3 0.01 0.10 0.03 -0.04 2.03 2.12 2w02B1 PRO 127 HD2 0.01 0.22 0.08 -0.04 3.68 3.95 2w02B1 PRO 127 HD3 -0.00 0.14 -0.07 -0.04 3.65 3.67 2w02B1 GLU 128 H 0.04 0.19 -0.18 -0.55 8.60 8.10 2w02B1 GLU 128 HA 0.04 0.08 0.45 -0.75 4.29 4.10 2w02B1 GLU 128 HB2 0.03 0.02 0.08 -0.04 2.09 2.18 2w02B1 GLU 128 HB3 0.03 0.07 -0.10 -0.04 1.99 1.94 2w02B1 GLU 128 HG2 0.02 -0.00 0.02 -0.04 2.34 2.35 2w02B1 GLU 128 HG3 0.03 -0.01 0.01 -0.04 2.34 2.33 2w02B1 LEU 129 H 0.04 0.16 -0.24 -0.55 8.37 7.78 2w02B1 LEU 129 HA 0.02 0.06 0.42 -0.75 4.35 4.10 2w02B1 LEU 129 HB2 0.02 0.04 0.06 -0.04 1.64 1.72 2w02B1 LEU 129 HB3 0.04 0.16 0.08 -0.04 1.64 1.88 2w02B1 LEU 129 HG 0.00 -0.03 -0.17 -0.04 1.64 1.40 2w02B1 LEU 129 HD13 -0.02 -0.02 0.01 -0.04 0.93 0.86 2w02B1 LEU 129 HD23 -0.02 0.02 -0.03 -0.04 0.89 0.83 2w02B1 TYR 130 H 0.14 0.31 -0.20 -0.55 8.29 7.99 2w02B1 TYR 130 HA -0.03 0.06 0.38 -0.75 4.56 4.22 2w02B1 TYR 130 HB2 -0.03 0.03 0.09 -0.04 3.06 3.11 2w02B1 TYR 130 HB3 -0.02 0.08 0.18 -0.04 2.98 3.18 2w02B1 TYR 130 HD2 -0.04 0.03 -0.07 -0.04 7.15 7.02 2w02B1 TYR 130 HE2 -0.07 0.01 -0.07 -0.04 6.85 6.68 2w02B1 GLU 131 H 0.08 0.56 -0.12 -0.55 8.60 8.57 2w02B1 GLU 131 HA -0.15 -0.01 0.41 -0.75 4.29 3.79 2w02B1 GLU 131 HB2 0.02 0.17 0.14 -0.04 2.09 2.38 2w02B1 GLU 131 HB3 -0.01 -0.05 0.02 -0.04 1.99 1.91 2w02B1 GLU 131 HG2 0.10 0.20 0.09 -0.04 2.34 2.69 2w02B1 GLU 131 HG3 0.05 -0.04 0.01 -0.04 2.34 2.32 2w02B1 GLN 132 H -0.02 0.37 -0.44 -0.55 8.47 7.83 2w02B1 GLN 132 HA -0.03 0.01 0.56 -0.75 4.36 4.14 2w02B1 GLN 132 HB2 0.00 0.10 0.16 -0.04 2.15 2.37 2w02B1 GLN 132 HB3 0.01 -0.02 0.01 -0.04 2.02 1.97 2w02B1 GLN 132 HG2 -0.02 -0.05 -0.04 -0.04 2.40 2.25 2w02B1 GLN 132 HG3 -0.01 0.03 -0.04 -0.04 2.39 2.33 2w02B1 GLN 132 HE21 0.01 -0.03 -0.12 -0.04 6.97 6.79 2w02B1 GLN 132 HE22 0.01 -0.01 -0.08 -0.04 7.69 7.56 2w02B1 ILE 133 H -0.06 0.65 -0.02 -0.55 8.25 8.27 2w02B1 ILE 133 HA 0.02 0.11 0.42 -0.75 4.18 3.98 2w02B1 ILE 133 HB -0.15 0.10 0.17 -0.04 1.89 1.97 2w02B1 ILE 133 HG12 -0.01 0.05 -0.14 -0.04 1.49 1.35 2w02B1 ILE 133 HG13 -0.02 0.11 -0.03 -0.04 1.21 1.24 2w02B1 ILE 133 HG23 -0.01 0.02 -0.06 -0.04 0.93 0.85 2w02B1 ILE 133 HD13 0.01 -0.03 -0.06 -0.04 0.88 0.76 2w02B1 LEU 134 H -0.19 0.43 -0.25 -0.55 8.37 7.81 2w02B1 LEU 134 HA 0.10 0.04 0.44 -0.75 4.35 4.17 2w02B1 LEU 134 HB2 -0.16 0.13 0.08 -0.04 1.64 1.65 2w02B1 LEU 134 HB3 -0.04 -0.07 0.03 -0.04 1.64 1.52 2w02B1 LEU 134 HG -0.75 0.26 0.04 -0.04 1.64 1.14 2w02B1 LEU 134 HD13 -0.24 -0.02 -0.03 -0.04 0.93 0.60 2w02B1 LEU 134 HD23 -0.12 -0.02 -0.06 -0.04 0.89 0.66 2w02B1 GLN 135 H -0.05 0.43 -0.12 -0.55 8.47 8.19 2w02B1 GLN 135 HA -0.01 0.00 0.51 -0.75 4.36 4.11 2w02B1 GLN 135 HB2 -0.03 0.00 0.12 -0.04 2.15 2.21 2w02B1 GLN 135 HB3 -0.03 0.05 0.21 -0.04 2.02 2.21 2w02B1 GLN 135 HG2 -0.05 0.03 -0.22 -0.04 2.40 2.12 2w02B1 GLN 135 HG3 -0.04 -0.04 0.03 -0.04 2.39 2.30 2w02B1 GLN 135 HE21 -0.14 -0.00 -0.13 -0.04 6.97 6.66 2w02B1 GLN 135 HE22 -0.13 0.03 -0.03 -0.04 7.69 7.52 2w02B1 SER 136 H 0.01 0.59 -0.24 -0.55 8.46 8.28 2w02B1 SER 136 HA 0.01 0.12 0.28 -0.75 4.49 4.16 2w02B1 SER 136 HB2 0.03 -0.00 -0.13 -0.04 3.95 3.81 2w02B1 SER 136 HB3 0.06 0.24 0.14 -0.04 3.93 4.33 2w02B1 GLN 137 H 0.06 0.42 -0.13 -0.55 8.47 8.27 2w02B1 GLN 137 HA 0.02 0.11 0.53 -0.75 4.36 4.26 2w02B1 GLN 137 HB2 0.12 0.10 0.16 -0.04 2.15 2.49 2w02B1 GLN 137 HB3 0.08 0.02 0.20 -0.04 2.02 2.28 2w02B1 GLN 137 HG2 -0.30 0.01 -0.22 -0.04 2.40 1.85 2w02B1 GLN 137 HG3 -1.09 -0.04 -0.05 -0.04 2.39 1.17 2w02B1 GLN 137 HE21 -0.13 -0.05 -0.09 -0.04 6.97 6.66 2w02B1 GLN 137 HE22 -0.22 0.01 -0.15 -0.04 7.69 7.29 2w02B1 ARG 138 H 0.01 0.61 -0.07 -0.55 8.46 8.46 2w02B1 ARG 138 HA -0.01 -0.03 0.41 -0.75 4.34 3.95 2w02B1 ARG 138 HB2 0.01 0.12 0.13 -0.04 1.90 2.12 2w02B1 ARG 138 HB3 0.01 -0.06 0.07 -0.04 1.80 1.77 2w02B1 ARG 138 HG2 0.00 -0.09 0.06 -0.04 1.67 1.60 2w02B1 ARG 138 HG3 0.02 0.35 0.15 -0.04 1.67 2.14 2w02B1 ARG 138 HD2 0.01 -0.03 0.02 -0.04 3.22 3.18 2w02B1 ARG 138 HD3 0.02 -0.06 0.01 -0.04 3.22 3.15 2w02B1 LEU 139 H 0.02 0.38 -0.41 -0.55 8.37 7.82 2w02B1 LEU 139 HA 0.06 0.00 0.65 -0.75 4.35 4.31 2w02B1 LEU 139 HB2 0.02 0.05 0.15 -0.04 1.64 1.81 2w02B1 LEU 139 HB3 0.04 0.14 0.15 -0.04 1.64 1.93 2w02B1 LEU 139 HG 0.13 -0.01 -0.14 -0.04 1.64 1.59 2w02B1 LEU 139 HD13 0.09 -0.04 0.03 -0.04 0.93 0.97 2w02B1 LEU 139 HD23 0.04 0.03 0.05 -0.04 0.89 0.96 2w02B1 VAL 140 H 0.05 0.56 -0.02 -0.55 8.24 8.28 2w02B1 VAL 140 HA 0.06 0.05 0.48 -0.75 4.13 3.96 2w02B1 VAL 140 HB 0.08 0.11 0.26 -0.04 2.12 2.53 2w02B1 VAL 140 HG13 0.24 -0.02 -0.04 -0.04 0.97 1.10 2w02B1 VAL 140 HG23 0.13 0.11 0.14 -0.04 0.95 1.29 2w02B1 SER 141 H 0.01 0.51 -0.25 -0.55 8.46 8.18 2w02B1 SER 141 HA -0.02 0.05 0.28 -0.75 4.49 4.06 2w02B1 SER 141 HB2 -0.04 0.01 0.09 -0.04 3.95 3.97 2w02B1 SER 141 HB3 0.00 0.17 0.15 -0.04 3.93 4.21 2w02B1 ALA 142 H 0.06 0.42 -0.16 -0.55 8.40 8.17 2w02B1 ALA 142 HA 0.09 -0.04 0.31 -0.75 4.34 3.94 2w02B1 ALA 142 HB3 0.20 0.04 0.14 -0.04 1.41 1.74 2w02B1 ILE 143 H 0.06 0.54 -0.21 -0.55 8.25 8.10 2w02B1 ILE 143 HA -0.39 0.05 0.51 -0.75 4.18 3.60 2w02B1 ILE 143 HB -0.05 0.12 0.17 -0.04 1.89 2.10 2w02B1 ILE 143 HG12 0.05 -0.09 -0.04 -0.04 1.49 1.37 2w02B1 ILE 143 HG13 0.17 0.18 -0.01 -0.04 1.21 1.51 2w02B1 ILE 143 HG23 -0.13 0.00 -0.21 -0.04 0.93 0.55 2w02B1 ILE 143 HD13 0.12 -0.01 -0.02 -0.04 0.88 0.93 2w02B1 VAL 144 H -0.12 0.80 0.04 -0.55 8.24 8.41 2w02B1 VAL 144 HA -0.47 0.01 0.46 -0.75 4.13 3.37 2w02B1 VAL 144 HB -0.08 0.11 0.19 -0.04 2.12 2.30 2w02B1 VAL 144 HG13 -0.12 -0.03 0.04 -0.04 0.97 0.81 2w02B1 VAL 144 HG23 -0.05 0.03 0.04 -0.04 0.95 0.93 2w02B1 SER 145 H -0.09 0.47 -0.31 -0.55 8.46 7.98 2w02B1 SER 145 HA -0.08 0.00 0.46 -0.75 4.49 4.12 2w02B1 SER 145 HB2 -0.02 -0.07 0.07 -0.04 3.95 3.89 2w02B1 SER 145 HB3 0.01 0.17 0.11 -0.04 3.93 4.18 2w02B1 HIS 146 H -0.13 0.23 -0.52 -0.55 8.41 7.44 2w02B1 HIS 146 HA -0.12 0.04 0.57 -0.75 4.63 4.38 2w02B1 HIS 146 HB2 -0.33 0.03 0.17 -0.04 3.26 3.09 2w02B1 HIS 146 HB3 -0.62 0.17 0.28 -0.04 3.20 2.98 2w02B1 HIS 146 HD2 -0.34 0.19 0.05 -0.04 6.97 6.83 2w02B1 HIS 146 HE1 0.08 -0.05 0.02 -0.04 7.75 7.75 2w02B1 ASN 147 H -0.41 0.47 0.07 -0.55 8.53 8.11 2w02B1 ASN 147 HA -0.36 0.14 0.79 -0.75 4.76 4.57 2w02B1 ASN 147 HB2 -1.27 0.04 0.09 -0.04 2.88 1.70 2w02B1 ASN 147 HB3 -0.56 -0.09 0.16 -0.04 2.79 2.26 2w02B1 ASN 147 HD21 -0.09 0.42 0.19 -0.04 7.03 7.51 2w02B1 ASN 147 HD22 -0.60 0.12 0.14 -0.04 7.74 7.35 2w02B1 GLY 148 H -0.29 0.38 -0.21 -0.55 8.43 7.76 2w02B1 GLY 148 HA2 -0.26 -0.05 0.31 -0.51 4.01 3.50 2w02B1 GLY 148 HA3 -0.19 0.13 0.40 -0.51 4.01 3.84 2w02B1 ARG 149 H -0.18 0.06 -0.71 -0.55 8.46 7.08 2w02B1 ARG 149 HA -0.08 0.21 0.96 -0.75 4.34 4.68 2w02B1 ARG 149 HB2 -0.11 0.03 -0.02 -0.04 1.90 1.76 2w02B1 ARG 149 HB3 -0.07 -0.05 0.08 -0.04 1.80 1.71 2w02B1 ARG 149 HG2 -0.07 0.09 -0.09 -0.04 1.67 1.56 2w02B1 ARG 149 HG3 -0.09 0.01 -0.23 -0.04 1.67 1.32 2w02B1 ARG 149 HD2 -0.06 0.00 -0.02 -0.04 3.22 3.10 2w02B1 ARG 149 HD3 -0.05 -0.03 0.01 -0.04 3.22 3.10 2w02B1 GLN 150 H -0.13 0.39 0.07 -0.55 8.47 8.25 2w02B1 GLN 150 HA -0.04 -0.01 0.52 -0.75 4.36 4.08 2w02B1 GLN 150 HB2 -0.03 0.09 0.07 -0.04 2.15 2.24 2w02B1 GLN 150 HB3 0.02 -0.07 0.14 -0.04 2.02 2.07 2w02B1 GLN 150 HG2 -0.03 -0.05 0.07 -0.04 2.40 2.35 2w02B1 GLN 150 HG3 -0.11 -0.02 0.14 -0.04 2.39 2.35 2w02B1 GLN 150 HE21 0.20 0.03 -0.01 -0.04 6.97 7.14 2w02B1 GLN 150 HE22 -0.03 0.00 0.01 -0.04 7.69 7.63 2w02B1 ARG 151 H 0.00 0.06 0.15 -0.55 8.46 8.13 2w02B1 ARG 151 HA 0.00 0.10 0.54 -0.75 4.34 4.23 2w02B1 ARG 151 HB2 0.01 0.07 0.15 -0.04 1.90 2.10 2w02B1 ARG 151 HB3 0.03 -0.07 0.05 -0.04 1.80 1.77 2w02B1 ARG 151 HG2 0.02 -0.15 0.04 -0.04 1.67 1.54 2w02B1 ARG 151 HG3 0.01 0.07 0.07 -0.04 1.67 1.78 2w02B1 ARG 151 HD2 0.01 0.05 -0.01 -0.04 3.22 3.24 2w02B1 ARG 151 HD3 0.03 0.00 -0.06 -0.04 3.22 3.15 2w02B1 ALA 152 H 0.02 0.15 0.13 -0.55 8.40 8.16 2w02B1 ALA 152 HA 0.06 0.12 0.28 -0.75 4.34 4.05 2w02B1 ALA 152 HB3 0.05 0.00 0.09 -0.04 1.41 1.51 2w02B1 ASP 153 H 0.06 0.05 -0.27 -0.55 8.40 7.70 2w02B1 ASP 153 HA 0.08 0.22 0.70 -0.75 4.63 4.88 2w02B1 ASP 153 HB2 0.11 0.07 0.09 -0.04 2.71 2.93 2w02B1 ASP 153 HB3 0.07 -0.02 0.01 -0.04 2.70 2.71 2w02B1 ALA 154 H 0.09 0.39 -0.46 -0.55 8.40 7.87 2w02B1 ALA 154 HA 0.08 0.01 0.39 -0.75 4.34 4.06 2w02B1 ALA 154 HB3 0.09 0.01 0.05 -0.04 1.41 1.52 2w02B1 PRO 155 HA -0.08 0.02 0.21 -0.51 4.44 4.07 2w02B1 PRO 155 HB2 -0.15 0.04 -0.11 -0.04 2.28 2.02 2w02B1 PRO 155 HB3 -0.35 0.05 0.06 -0.04 2.02 1.74 2w02B1 PRO 155 HG2 0.06 0.12 0.09 -0.04 2.03 2.25 2w02B1 PRO 155 HG3 -0.02 0.02 0.06 -0.04 2.03 2.05 2w02B1 PRO 155 HD2 0.11 0.11 -0.16 -0.04 3.68 3.71 2w02B1 PRO 155 HD3 0.23 0.08 -0.03 -0.04 3.65 3.89 2w02B1 LEU 156 H 0.01 0.45 -0.61 -0.55 8.37 7.67 2w02B1 LEU 156 HA -0.11 0.13 0.57 -0.75 4.35 4.18 2w02B1 LEU 156 HB2 -0.02 0.07 -0.06 -0.04 1.64 1.59 2w02B1 LEU 156 HB3 -0.57 -0.01 0.01 -0.04 1.64 1.02 2w02B1 LEU 156 HG -0.11 -0.01 -0.15 -0.04 1.64 1.32 2w02B1 LEU 156 HD13 -0.48 -0.00 -0.19 -0.04 0.93 0.21 2w02B1 LEU 156 HD23 -0.24 0.02 -0.47 -0.04 0.89 0.15 2w02B1 GLN 157 H 0.09 0.50 -0.16 -0.55 8.47 8.36 2w02B1 GLN 157 HA 0.26 0.14 0.52 -0.75 4.36 4.53 2w02B1 GLN 157 HB2 0.12 0.04 0.07 -0.04 2.15 2.33 2w02B1 GLN 157 HB3 0.15 -0.06 0.10 -0.04 2.02 2.17 2w02B1 GLN 157 HG2 0.12 0.10 0.05 -0.04 2.40 2.63 2w02B1 GLN 157 HG3 0.09 -0.08 0.00 -0.04 2.39 2.36 2w02B1 GLN 157 HE21 0.23 0.01 -0.13 -0.04 6.97 7.04 2w02B1 GLN 157 HE22 0.22 0.11 -0.17 -0.04 7.69 7.81 2w02B1 HIS 158 H 0.13 0.33 -0.19 -0.55 8.41 8.13 2w02B1 HIS 158 HA 0.09 0.17 0.61 -0.75 4.63 4.75 2w02B1 HIS 158 HB2 0.05 0.12 -0.40 -0.04 3.26 3.00 2w02B1 HIS 158 HB3 0.01 -0.13 -0.11 -0.04 3.20 2.93 2w02B1 HIS 158 HD2 0.00 -0.40 0.04 -0.04 6.97 6.56 2w02B1 HIS 158 HE1 0.06 0.03 0.01 -0.04 7.75 7.81 2w02B1 TYR 159 H -0.28 0.15 0.21 -0.55 8.29 7.82 2w02B1 TYR 159 HA -0.05 0.32 0.63 -0.75 4.56 4.70 2w02B1 TYR 159 HB2 -0.09 0.22 0.22 -0.04 3.06 3.36 2w02B1 TYR 159 HB3 -0.25 -0.19 0.22 -0.04 2.98 2.72 2w02B1 TYR 159 HD2 -0.44 0.03 -0.21 -0.04 7.15 6.49 2w02B1 TYR 159 HE2 -0.05 0.03 -0.13 -0.04 6.85 6.65 2w02B1 LEU 160 H 0.21 0.10 0.05 -0.55 8.37 8.18 2w02B1 LEU 160 HA -0.49 0.08 0.46 -0.75 4.35 3.64 2w02B1 LEU 160 HB2 -0.09 -0.05 0.09 -0.04 1.64 1.55 2w02B1 LEU 160 HB3 0.03 0.02 -0.00 -0.04 1.64 1.65 2w02B1 LEU 160 HG -0.04 0.05 -0.04 -0.04 1.64 1.57 2w02B1 LEU 160 HD13 -0.02 0.00 0.02 -0.04 0.93 0.90 2w02B1 LEU 160 HD23 0.15 0.02 -0.03 -0.04 0.89 0.99 2w02B1 GLN 161 H 0.02 0.02 -0.64 -0.55 8.47 7.33 2w02B1 GLN 161 HA -0.11 0.10 0.49 -0.75 4.36 4.09 2w02B1 GLN 161 HB2 0.05 -0.04 -0.01 -0.04 2.15 2.11 2w02B1 GLN 161 HB3 -0.04 0.08 -0.07 -0.04 2.02 1.95 2w02B1 GLN 161 HG2 0.02 0.04 -0.10 -0.04 2.40 2.32 2w02B1 GLN 161 HG3 -0.01 0.03 -0.08 -0.04 2.39 2.29 2w02B1 GLN 161 HE21 -0.07 -0.00 -0.09 -0.04 6.97 6.76 2w02B1 GLN 161 HE22 -0.02 0.05 -0.08 -0.04 7.69 7.60 2w02B1 SER 162 H -0.20 0.34 0.04 -0.55 8.46 8.09 2w02B1 SER 162 HA -0.24 0.16 0.49 -0.75 4.49 4.15 2w02B1 SER 162 HB2 -0.18 -0.03 0.20 -0.04 3.95 3.90 2w02B1 SER 162 HB3 -0.13 0.21 0.31 -0.04 3.93 4.29 2w02B1 GLU 163 H -0.46 0.39 -0.19 -0.55 8.60 7.80 2w02B1 GLU 163 HA -0.25 -0.03 0.39 -0.75 4.29 3.65 2w02B1 GLU 163 HB2 -0.35 0.17 0.13 -0.04 2.09 1.99 2w02B1 GLU 163 HB3 -0.18 -0.14 0.07 -0.04 1.99 1.70 2w02B1 GLU 163 HG2 -0.94 0.09 0.06 -0.04 2.34 1.51 2w02B1 GLU 163 HG3 -0.46 -0.01 0.01 -0.04 2.34 1.83 2w02B1 GLN 164 H -0.25 0.37 -0.17 -0.55 8.47 7.88 2w02B1 GLN 164 HA -0.16 -0.00 0.43 -0.75 4.36 3.87 2w02B1 GLN 164 HB2 -0.16 -0.03 0.17 -0.04 2.15 2.09 2w02B1 GLN 164 HB3 -0.08 0.02 0.06 -0.04 2.02 1.99 2w02B1 GLN 164 HG2 -0.03 0.07 0.17 -0.04 2.40 2.56 2w02B1 GLN 164 HG3 -0.10 0.06 0.16 -0.04 2.39 2.46 2w02B1 GLN 164 HE21 0.05 -0.04 -0.04 -0.04 6.97 6.90 2w02B1 GLN 164 HE22 0.04 0.09 0.00 -0.04 7.69 7.78 2w02B1 GLY 165 H -0.46 0.52 -0.29 -0.55 8.43 7.65 2w02B1 GLY 165 HA2 -2.32 0.05 0.29 -0.51 4.01 1.52 2w02B1 GLY 165 HA3 -0.93 0.01 0.35 -0.51 4.01 2.92 2w02B1 LEU 166 H -0.50 0.28 -0.62 -0.55 8.37 6.98 2w02B1 LEU 166 HA -0.36 0.10 0.56 -0.75 4.35 3.89 2w02B1 LEU 166 HB2 -0.23 0.06 0.03 -0.04 1.64 1.46 2w02B1 LEU 166 HB3 -0.17 0.04 0.14 -0.04 1.64 1.62 2w02B1 LEU 166 HG -0.05 -0.13 -0.02 -0.04 1.64 1.40 2w02B1 LEU 166 HD13 -0.10 0.01 -0.28 -0.04 0.93 0.51 2w02B1 LEU 166 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.67 2w02B1 TRP 167 H -0.94 0.51 -0.16 -0.55 7.97 6.84 2w02B1 TRP 167 HA -0.26 0.06 0.14 -0.75 4.62 3.80 2w02B1 TRP 167 HB2 -1.64 0.01 -0.03 -0.04 3.23 1.53 2w02B1 TRP 167 HB3 -0.72 -0.04 -0.03 -0.04 3.23 2.40 2w02B1 TRP 167 HD1 -0.28 0.12 0.01 -0.04 7.22 7.03 2w02B1 TRP 167 HE1 -0.09 -0.09 0.12 -0.04 10.20 10.10 2w02B1 TRP 167 HE3 -0.22 -0.04 -0.02 -0.04 7.59 7.28 2w02B1 TRP 167 HZ2 -0.09 -0.05 0.02 -0.04 7.44 7.28 2w02B1 TRP 167 HZ3 -0.14 0.14 0.05 -0.04 7.13 7.14 2w02B1 TRP 167 HH2 -0.10 -0.03 -0.04 -0.04 7.19 6.98 2w02B1 PHE 168 H 0.02 0.02 -0.26 -0.55 8.34 7.57 2w02B1 PHE 168 HA 0.11 0.12 0.61 -0.75 4.62 4.71 2w02B1 PHE 168 HB2 0.11 0.04 -0.06 -0.04 3.15 3.20 2w02B1 PHE 168 HB3 0.09 0.02 0.01 -0.04 3.06 3.14 2w02B1 PHE 168 HD2 0.12 0.02 -0.04 -0.04 7.28 7.33 2w02B1 PHE 168 HE2 0.10 0.10 -0.21 -0.04 7.38 7.32 2w02B1 PHE 168 HZ -0.01 -0.01 -0.06 -0.04 7.32 7.20 2w02B1 GLY 169 H 0.09 -0.06 -0.21 -0.55 8.43 7.71 2w02B1 GLY 169 HA2 0.03 0.06 0.17 -0.51 4.01 3.76 2w02B1 GLY 169 HA3 0.09 0.04 -0.05 -0.51 4.01 3.58 2w02B1 HIS 170 H 0.13 0.12 0.10 -0.55 8.41 8.21 2w02B1 HIS 170 HA 0.01 0.04 0.39 -0.75 4.63 4.32 2w02B1 HIS 170 HB2 -0.06 0.01 0.13 -0.04 3.26 3.31 2w02B1 HIS 170 HB3 0.01 -0.03 0.15 -0.04 3.20 3.30 2w02B1 HIS 170 HD2 -0.06 0.03 -0.01 -0.04 6.97 6.89 2w02B1 HIS 170 HE1 0.09 0.07 -0.08 -0.04 7.75 7.79 2w02B1 PRO 171 HA 0.19 0.15 0.24 -0.51 4.44 4.51 2w02B1 PRO 171 HB2 0.14 0.03 0.01 -0.04 2.28 2.41 2w02B1 PRO 171 HB3 0.14 0.03 0.10 -0.04 2.02 2.24 2w02B1 PRO 171 HG2 0.17 0.02 0.03 -0.04 2.03 2.22 2w02B1 PRO 171 HG3 0.08 0.06 0.07 -0.04 2.03 2.20 2w02B1 PRO 171 HD2 0.02 -0.02 0.20 -0.04 3.68 3.84 2w02B1 PRO 171 HD3 0.08 0.21 0.23 -0.04 3.65 4.14 2w02B1 SER 172 H 0.42 0.05 -0.42 -0.55 8.46 7.96 2w02B1 SER 172 HA 0.07 0.30 0.82 -0.75 4.49 4.93 2w02B1 SER 172 HB2 0.19 -0.04 0.08 -0.04 3.95 4.13 2w02B1 SER 172 HB3 0.07 -0.03 0.05 -0.04 3.93 3.97 2w02B1 HIS 173 H 0.02 0.49 -0.17 -0.55 8.41 8.21 2w02B1 HIS 173 HA -0.17 0.08 0.44 -0.75 4.63 4.23 2w02B1 HIS 173 HB2 -0.59 -0.01 -0.10 -0.04 3.26 2.54 2w02B1 HIS 173 HB3 -0.11 0.05 -0.01 -0.04 3.20 3.09 2w02B1 HIS 173 HD2 -0.15 0.06 0.03 -0.04 6.97 6.86 2w02B1 HIS 173 HE1 -0.02 -0.03 -0.04 -0.04 7.75 7.61 2w02B1 PRO 174 HA -0.01 0.13 0.31 -0.51 4.44 4.36 2w02B1 PRO 174 HB2 -0.06 0.00 -0.02 -0.04 2.28 2.16 2w02B1 PRO 174 HB3 -0.07 0.01 0.06 -0.04 2.02 1.99 2w02B1 PRO 174 HG2 -0.31 0.00 0.03 -0.04 2.03 1.71 2w02B1 PRO 174 HG3 -0.20 0.02 0.01 -0.04 2.03 1.82 2w02B1 PRO 174 HD2 -1.24 0.15 0.04 -0.04 3.68 2.58 2w02B1 PRO 174 HD3 -0.31 0.07 -0.08 -0.04 3.65 3.29 2w02B1 ALA 175 H 0.19 0.07 -0.31 -0.55 8.40 7.80 2w02B1 ALA 175 HA 0.10 0.27 0.89 -0.75 4.34 4.84 2w02B1 ALA 175 HB3 0.06 0.01 -0.21 -0.04 1.41 1.23 2w02B1 PRO 176 HA -0.04 0.00 0.16 -0.51 4.44 4.05 2w02B1 PRO 176 HB2 0.09 -0.10 -0.04 -0.04 2.28 2.18 2w02B1 PRO 176 HB3 0.12 0.14 0.11 -0.04 2.02 2.35 2w02B1 PRO 176 HG2 0.13 -0.00 -0.01 -0.04 2.03 2.10 2w02B1 PRO 176 HG3 0.15 0.28 0.04 -0.04 2.03 2.46 2w02B1 PRO 176 HD2 0.11 0.05 0.05 -0.04 3.68 3.85 2w02B1 PRO 176 HD3 0.14 0.39 -0.23 -0.04 3.65 3.90 2w02B1 LYS 177 H 0.06 0.12 -0.24 -0.55 8.42 7.80 2w02B1 LYS 177 HA -0.00 0.20 0.66 -0.75 4.32 4.43 2w02B1 LYS 177 HB2 0.05 0.04 0.10 -0.04 1.87 2.02 2w02B1 LYS 177 HB3 0.04 -0.04 0.15 -0.04 1.79 1.90 2w02B1 LYS 177 HG2 0.08 -0.06 -0.26 -0.04 1.46 1.19 2w02B1 LYS 177 HG3 0.09 0.10 0.01 -0.04 1.46 1.62 2w02B1 LYS 177 HD2 0.06 -0.05 -0.05 -0.04 1.69 1.62 2w02B1 LYS 177 HD3 0.03 0.01 -0.10 -0.04 1.68 1.58 2w02B1 LYS 177 HE2 0.06 -0.17 -0.44 -0.04 2.99 2.40 2w02B1 LYS 177 HE3 0.05 0.30 -0.51 -0.04 2.99 2.79 2w02B1 ALA 178 H -0.02 0.40 -0.33 -0.55 8.40 7.90 2w02B1 ALA 178 HA -0.10 0.09 0.74 -0.75 4.34 4.32 2w02B1 ALA 178 HB3 -0.03 0.01 0.06 -0.04 1.41 1.41 2w02B1 ARG 179 H -0.29 0.24 0.05 -0.55 8.46 7.91 2w02B1 ARG 179 HA -0.32 0.21 0.77 -0.75 4.34 4.25 2w02B1 ARG 179 HB2 -0.75 -0.00 0.12 -0.04 1.90 1.22 2w02B1 ARG 179 HB3 -1.40 -0.02 -0.06 -0.04 1.80 0.28 2w02B1 ARG 179 HG2 -0.16 0.03 -0.12 -0.04 1.67 1.38 2w02B1 ARG 179 HG3 -0.18 -0.04 -0.50 -0.04 1.67 0.92 2w02B1 ARG 179 HD2 -0.10 -0.02 -0.05 -0.04 3.22 3.02 2w02B1 ARG 179 HD3 0.09 0.02 -0.07 -0.04 3.22 3.22 2w02B1 LEU 180 H -0.23 0.45 0.07 -0.55 8.37 8.11 2w02B1 LEU 180 HA -0.24 0.12 0.19 -0.75 4.35 3.67 2w02B1 LEU 180 HB2 -0.04 -0.10 0.25 -0.04 1.64 1.71 2w02B1 LEU 180 HB3 -0.04 -0.02 0.05 -0.04 1.64 1.58 2w02B1 LEU 180 HG -0.10 0.20 -0.11 -0.04 1.64 1.60 2w02B1 LEU 180 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.82 2w02B1 LEU 180 HD23 -0.08 -0.01 -0.20 -0.04 0.89 0.55 2w02B1 TRP 181 H -0.57 0.43 0.22 -0.55 7.97 7.51 2w02B1 TRP 181 HA -0.00 0.17 0.80 -0.75 4.62 4.84 2w02B1 TRP 181 HB2 -0.05 0.02 0.04 -0.04 3.23 3.19 2w02B1 TRP 181 HB3 -0.07 -0.04 -0.15 -0.04 3.23 2.93 2w02B1 TRP 181 HD1 0.03 0.13 -0.42 -0.04 7.22 6.92 2w02B1 TRP 181 HE1 0.24 0.54 0.01 -0.04 10.20 10.95 2w02B1 TRP 181 HE3 -0.14 -0.07 -0.25 -0.04 7.59 7.09 2w02B1 TRP 181 HZ2 0.41 0.01 0.01 -0.04 7.44 7.83 2w02B1 TRP 181 HZ3 -0.11 0.02 -0.13 -0.04 7.13 6.86 2w02B1 TRP 181 HH2 0.15 0.10 -0.07 -0.04 7.19 7.33 2w02B1 PRO 182 HA 0.19 0.02 0.36 -0.51 4.44 4.49 2w02B1 PRO 182 HB2 0.12 -0.02 0.05 -0.04 2.28 2.38 2w02B1 PRO 182 HB3 0.30 0.02 0.09 -0.04 2.02 2.39 2w02B1 PRO 182 HG2 0.17 0.07 0.05 -0.04 2.03 2.28 2w02B1 PRO 182 HG3 0.16 0.06 0.08 -0.04 2.03 2.29 2w02B1 PRO 182 HD2 0.16 0.11 0.14 -0.04 3.68 4.05 2w02B1 PRO 182 HD3 0.19 0.16 0.19 -0.04 3.65 4.15 2w02B1 ALA 183 H 0.18 0.12 0.20 -0.55 8.40 8.35 2w02B1 ALA 183 HA 0.20 0.19 0.27 -0.75 4.34 4.25 2w02B1 ALA 183 HB3 0.11 0.01 0.11 -0.04 1.41 1.60 2w02B1 HIS 184 H 0.32 0.07 -0.27 -0.55 8.41 7.99 2w02B1 HIS 184 HA 0.10 0.08 0.31 -0.75 4.63 4.37 2w02B1 HIS 184 HB2 0.08 0.04 0.09 -0.04 3.26 3.42 2w02B1 HIS 184 HB3 0.08 -0.04 0.06 -0.04 3.20 3.25 2w02B1 HIS 184 HD2 0.08 0.02 -0.16 -0.04 6.97 6.87 2w02B1 HIS 184 HE1 0.08 0.01 -0.05 -0.04 7.75 7.74 2w02B1 LEU 185 H -0.13 0.33 -0.50 -0.55 8.37 7.53 2w02B1 LEU 185 HA 0.01 0.07 0.60 -0.75 4.35 4.28 2w02B1 LEU 185 HB2 0.02 0.22 -0.01 -0.04 1.64 1.83 2w02B1 LEU 185 HB3 -0.01 -0.05 0.03 -0.04 1.64 1.57 2w02B1 LEU 185 HG -0.56 -0.08 -0.05 -0.04 1.64 0.91 2w02B1 LEU 185 HD13 -0.21 -0.02 0.01 -0.04 0.93 0.66 2w02B1 LEU 185 HD23 -0.12 -0.00 -0.06 -0.04 0.89 0.66 2w02B1 GLY 186 H 0.23 0.34 -0.20 -0.55 8.43 8.25 2w02B1 GLY 186 HA2 0.13 0.04 0.32 -0.51 4.01 3.99 2w02B1 GLY 186 HA3 0.07 0.04 0.39 -0.51 4.01 4.00 2w02B1 GLN 187 H 0.03 -0.02 0.20 -0.55 8.47 8.13 2w02B1 GLN 187 HA 0.57 0.31 0.97 -0.75 4.36 5.45 2w02B1 GLN 187 HB2 0.01 -0.05 0.11 -0.04 2.15 2.18 2w02B1 GLN 187 HB3 0.07 0.06 -0.00 -0.04 2.02 2.11 2w02B1 GLN 187 HG2 0.11 -0.06 -0.20 -0.04 2.40 2.21 2w02B1 GLN 187 HG3 -0.00 0.01 0.01 -0.04 2.39 2.36 2w02B1 GLN 187 HE21 -0.96 0.43 0.17 -0.04 6.97 6.57 2w02B1 GLN 187 HE22 -0.22 -0.10 -0.00 -0.04 7.69 7.33 2w02B1 GLU 188 H -0.22 0.01 0.19 -0.55 8.60 8.04 2w02B1 GLU 188 HA -0.43 0.12 0.40 -0.75 4.29 3.62 2w02B1 GLU 188 HB2 -0.42 -0.03 0.12 -0.04 2.09 1.72 2w02B1 GLU 188 HB3 -0.71 0.11 0.05 -0.04 1.99 1.40 2w02B1 GLU 188 HG2 -1.77 0.06 0.05 -0.04 2.34 0.63 2w02B1 GLU 188 HG3 -0.51 -0.10 0.11 -0.04 2.34 1.81 2w02B1 GLN 189 H -0.51 0.05 -0.19 -0.55 8.47 7.28 2w02B1 GLN 189 HA -0.42 0.13 0.39 -0.75 4.36 3.70 2w02B1 GLN 189 HB2 -1.83 0.06 -0.05 -0.04 2.15 0.30 2w02B1 GLN 189 HB3 -1.26 0.05 0.07 -0.04 2.02 0.83 2w02B1 GLN 189 HG2 -0.45 0.04 0.03 -0.04 2.40 1.97 2w02B1 GLN 189 HG3 -0.38 0.03 0.03 -0.04 2.39 2.03 2w02B1 GLN 189 HE21 -0.17 -0.17 0.04 -0.04 6.97 6.63 2w02B1 GLN 189 HE22 -0.30 0.26 0.02 -0.04 7.69 7.62 2w02B1 TRP 190 H -0.21 0.22 -0.62 -0.55 7.97 6.81 2w02B1 TRP 190 HA 0.01 0.18 0.69 -0.75 4.62 4.75 2w02B1 TRP 190 HB2 0.33 0.06 -0.05 -0.04 3.23 3.54 2w02B1 TRP 190 HB3 0.09 -0.02 0.07 -0.04 3.23 3.33 2w02B1 TRP 190 HD1 0.17 0.16 -0.16 -0.04 7.22 7.35 2w02B1 TRP 190 HE1 -0.17 0.30 -0.19 -0.04 10.20 10.10 2w02B1 TRP 190 HE3 0.12 0.11 -0.12 -0.04 7.59 7.66 2w02B1 TRP 190 HZ2 -0.05 0.05 -0.04 -0.04 7.44 7.36 2w02B1 TRP 190 HZ3 0.10 0.02 -0.05 -0.04 7.13 7.16 2w02B1 TRP 190 HH2 0.01 -0.01 -0.03 -0.04 7.19 7.12 2w02B1 ALA 191 H 0.07 0.33 -0.26 -0.55 8.40 7.99 2w02B1 ALA 191 HA 0.20 0.23 0.63 -0.75 4.34 4.64 2w02B1 ALA 191 HB3 0.24 0.04 0.09 -0.04 1.41 1.74 2w02B1 PRO 192 HA 0.03 0.13 0.50 -0.51 4.44 4.59 2w02B1 PRO 192 HB2 -0.04 0.06 -0.05 -0.04 2.28 2.21 2w02B1 PRO 192 HB3 -0.05 0.05 -0.08 -0.04 2.02 1.90 2w02B1 PRO 192 HG2 -0.02 0.05 -0.22 -0.04 2.03 1.79 2w02B1 PRO 192 HG3 -0.04 0.07 -0.31 -0.04 2.03 1.71 2w02B1 PRO 192 HD2 0.08 0.04 0.21 -0.04 3.68 3.97 2w02B1 PRO 192 HD3 0.08 0.43 0.32 -0.04 3.65 4.43 2w02B1 GLU 193 H 0.14 0.08 -0.36 -0.55 8.60 7.91 2w02B1 GLU 193 HA 0.13 0.29 0.40 -0.75 4.29 4.36 2w02B1 GLU 193 HB2 0.18 -0.06 -0.02 -0.04 2.09 2.14 2w02B1 GLU 193 HB3 0.18 -0.02 0.07 -0.04 1.99 2.17 2w02B1 GLU 193 HG2 0.17 0.02 -0.04 -0.04 2.34 2.45 2w02B1 GLU 193 HG3 0.02 0.27 -0.06 -0.04 2.34 2.52 2w02B1 PHE 194 H 0.26 0.32 -0.38 -0.55 8.34 7.98 2w02B1 PHE 194 HA -0.11 0.16 0.76 -0.75 4.62 4.68 2w02B1 PHE 194 HB2 -0.09 0.16 0.16 -0.04 3.15 3.34 2w02B1 PHE 194 HB3 -0.22 -0.02 0.18 -0.04 3.06 2.96 2w02B1 PHE 194 HD2 -0.42 -0.02 -0.03 -0.04 7.28 6.77 2w02B1 PHE 194 HE2 -0.12 0.01 -0.06 -0.04 7.38 7.16 2w02B1 PHE 194 HZ -0.05 -0.05 -0.26 -0.04 7.32 6.92 2w02B1 GLN 195 H 0.12 0.34 -0.43 -0.55 8.47 7.95 2w02B1 GLN 195 HA 0.08 0.09 0.29 -0.75 4.36 4.07 2w02B1 GLN 195 HB2 0.14 0.12 -0.14 -0.04 2.15 2.22 2w02B1 GLN 195 HB3 0.08 -0.07 0.14 -0.04 2.02 2.13 2w02B1 GLN 195 HG2 0.09 -0.07 -0.07 -0.04 2.40 2.30 2w02B1 GLN 195 HG3 0.08 0.01 -0.02 -0.04 2.39 2.42 2w02B1 GLN 195 HE21 0.27 0.11 -0.08 -0.04 6.97 7.22 2w02B1 GLN 195 HE22 0.18 -0.05 -0.08 -0.04 7.69 7.70 2w02B1 ALA 196 H 0.10 0.20 -0.21 -0.55 8.40 7.95 2w02B1 ALA 196 HA 0.05 0.01 0.23 -0.75 4.34 3.88 2w02B1 ALA 196 HB3 0.04 0.07 -0.21 -0.04 1.41 1.27 2w02B1 ARG 197 H 0.05 0.23 0.25 -0.55 8.46 8.44 2w02B1 ARG 197 HA 0.20 0.25 0.69 -0.75 4.34 4.73 2w02B1 ARG 197 HB2 0.06 -0.06 0.05 -0.04 1.90 1.91 2w02B1 ARG 197 HB3 0.09 -0.07 -0.09 -0.04 1.80 1.69 2w02B1 ARG 197 HG2 0.11 0.00 -0.13 -0.04 1.67 1.61 2w02B1 ARG 197 HG3 0.08 0.23 -0.30 -0.04 1.67 1.63 2w02B1 ARG 197 HD2 0.06 -0.01 -0.06 -0.04 3.22 3.16 2w02B1 ARG 197 HD3 0.04 -0.04 -0.05 -0.04 3.22 3.14 2w02B1 ALA 198 H 0.29 0.61 0.30 -0.55 8.40 9.05 2w02B1 ALA 198 HA 0.11 0.05 0.66 -0.75 4.34 4.39 2w02B1 ALA 198 HB3 0.46 0.05 -0.06 -0.04 1.41 1.82 2w02B1 ALA 199 H 0.01 0.12 0.10 -0.55 8.40 8.09 2w02B1 ALA 199 HA -0.13 0.26 0.46 -0.75 4.34 4.17 2w02B1 ALA 199 HB3 -0.09 0.02 -0.13 -0.04 1.41 1.17 2w02B1 LEU 200 H -0.32 0.53 -0.03 -0.55 8.37 8.00 2w02B1 LEU 200 HA -0.50 0.01 0.41 -0.75 4.35 3.52 2w02B1 LEU 200 HB2 -0.30 -0.11 0.03 -0.04 1.64 1.22 2w02B1 LEU 200 HB3 -0.34 0.05 -0.03 -0.04 1.64 1.29 2w02B1 LEU 200 HG -0.82 0.14 0.00 -0.04 1.64 0.92 2w02B1 LEU 200 HD13 -0.37 -0.02 -0.08 -0.04 0.93 0.42 2w02B1 LEU 200 HD23 -1.74 -0.02 -0.18 -0.04 0.89 -1.10 2w02B1 HIS 201 H -0.12 0.30 0.28 -0.55 8.41 8.32 2w02B1 HIS 201 HA -0.20 0.14 0.75 -0.75 4.63 4.56 2w02B1 HIS 201 HB2 -0.15 -0.10 0.13 -0.04 3.26 3.10 2w02B1 HIS 201 HB3 -0.15 -0.04 -0.06 -0.04 3.20 2.91 2w02B1 HIS 201 HD2 -0.73 0.10 -0.07 -0.04 6.97 6.23 2w02B1 HIS 201 HE1 -0.05 -0.06 -0.08 -0.04 7.75 7.51 2w02B1 GLN 202 H -0.30 0.57 0.28 -0.55 8.47 8.48 2w02B1 GLN 202 HA -0.09 0.27 1.10 -0.75 4.36 4.89 2w02B1 GLN 202 HB2 -0.16 -0.11 -0.07 -0.04 2.15 1.77 2w02B1 GLN 202 HB3 -0.09 0.05 -0.05 -0.04 2.02 1.88 2w02B1 GLN 202 HG2 -0.09 0.07 -0.28 -0.04 2.40 2.05 2w02B1 GLN 202 HG3 -0.15 -0.00 -0.44 -0.04 2.39 1.75 2w02B1 GLN 202 HE21 -0.07 -0.05 -0.10 -0.04 6.97 6.72 2w02B1 GLN 202 HE22 -0.07 0.07 -0.16 -0.04 7.69 7.49 2w02B1 PHE 203 H 0.06 0.61 0.32 -0.55 8.34 8.78 2w02B1 PHE 203 HA -0.02 0.23 1.02 -0.75 4.62 5.10 2w02B1 PHE 203 HB2 -0.11 -0.07 -0.04 -0.04 3.15 2.90 2w02B1 PHE 203 HB3 -0.09 0.01 -0.06 -0.04 3.06 2.87 2w02B1 PHE 203 HD2 -0.01 0.03 -0.28 -0.04 7.28 6.98 2w02B1 PHE 203 HE2 -0.01 -0.04 -0.16 -0.04 7.38 7.13 2w02B1 PHE 203 HZ 0.05 0.01 -0.09 -0.04 7.32 7.25 2w02B1 GLU 204 H 0.03 0.32 0.24 -0.55 8.60 8.65 2w02B1 GLU 204 HA -0.04 0.27 0.97 -0.75 4.29 4.73 2w02B1 GLU 204 HB2 -0.06 -0.01 0.03 -0.04 2.09 2.01 2w02B1 GLU 204 HB3 -0.09 -0.05 0.11 -0.04 1.99 1.92 2w02B1 GLU 204 HG2 -0.07 0.06 -0.15 -0.04 2.34 2.14 2w02B1 GLU 204 HG3 -0.03 0.01 -0.10 -0.04 2.34 2.18 2w02B1 VAL 205 H -0.11 0.76 0.36 -0.55 8.24 8.70 2w02B1 VAL 205 HA -0.43 0.23 0.91 -0.75 4.13 4.08 2w02B1 VAL 205 HB -2.02 0.03 -0.03 -0.04 2.12 0.06 2w02B1 VAL 205 HG13 -0.76 -0.01 -0.32 -0.04 0.97 -0.16 2w02B1 VAL 205 HG23 -0.32 -0.00 -0.19 -0.04 0.95 0.40 2w02B1 PRO 206 HA -0.26 0.25 0.91 -0.51 4.44 4.83 2w02B1 PRO 206 HB2 0.03 -0.16 0.07 -0.04 2.28 2.18 2w02B1 PRO 206 HB3 -0.12 0.14 0.15 -0.04 2.02 2.15 2w02B1 PRO 206 HG2 0.50 -0.13 0.08 -0.04 2.03 2.44 2w02B1 PRO 206 HG3 0.23 0.13 0.11 -0.04 2.03 2.46 2w02B1 PRO 206 HD2 -0.30 -0.01 0.18 -0.04 3.68 3.50 2w02B1 PRO 206 HD3 0.01 0.55 0.23 -0.04 3.65 4.41 2w02B1 VAL 207 H -0.11 0.71 0.34 -0.55 8.24 8.63 2w02B1 VAL 207 HA 0.08 0.07 0.20 -0.75 4.13 3.73 2w02B1 VAL 207 HB 0.01 -0.02 0.04 -0.04 2.12 2.10 2w02B1 VAL 207 HG13 -0.00 0.02 -0.28 -0.04 0.97 0.66 2w02B1 VAL 207 HG23 -0.04 0.06 -0.02 -0.04 0.95 0.91 2w02B1 ASP 208 H 0.02 0.11 -0.26 -0.55 8.40 7.72 2w02B1 ASP 208 HA -0.03 0.10 0.38 -0.75 4.63 4.32 2w02B1 ASP 208 HB2 -0.04 0.02 0.15 -0.04 2.71 2.80 2w02B1 ASP 208 HB3 -0.02 -0.00 0.11 -0.04 2.70 2.74 2w02B1 GLY 209 H 0.16 0.25 -0.55 -0.55 8.43 7.75 2w02B1 GLY 209 HA2 -0.38 0.21 0.89 -0.51 4.01 4.22 2w02B1 GLY 209 HA3 -0.62 0.00 0.28 -0.51 4.01 3.16 2w02B1 LEU 210 H -0.01 0.35 -0.07 -0.55 8.37 8.09 2w02B1 LEU 210 HA 0.07 0.17 0.69 -0.75 4.35 4.53 2w02B1 LEU 210 HB2 0.02 0.06 0.11 -0.04 1.64 1.79 2w02B1 LEU 210 HB3 0.05 -0.03 -0.04 -0.04 1.64 1.59 2w02B1 LEU 210 HG 0.26 -0.00 -0.08 -0.04 1.64 1.77 2w02B1 LEU 210 HD13 0.05 -0.01 -0.07 -0.04 0.93 0.86 2w02B1 LEU 210 HD23 0.16 0.00 -0.15 -0.04 0.89 0.87 2w02B1 HIS 211 H 0.08 0.67 0.27 -0.55 8.41 8.90 2w02B1 HIS 211 HA 0.02 0.13 0.77 -0.75 4.63 4.79 2w02B1 HIS 211 HB2 0.04 -0.08 0.08 -0.04 3.26 3.27 2w02B1 HIS 211 HB3 0.04 -0.02 -0.02 -0.04 3.20 3.15 2w02B1 HIS 211 HD2 -0.05 -0.07 -0.44 -0.04 6.97 6.37 2w02B1 HIS 211 HE1 -0.14 -0.02 -0.13 -0.04 7.75 7.42 2w02B1 ILE 212 H 0.08 0.21 0.07 -0.55 8.25 8.06 2w02B1 ILE 212 HA 0.10 0.38 1.22 -0.75 4.18 5.13 2w02B1 ILE 212 HB 0.06 -0.07 0.09 -0.04 1.89 1.93 2w02B1 ILE 212 HG12 0.07 0.07 0.00 -0.04 1.49 1.59 2w02B1 ILE 212 HG13 0.06 -0.12 -0.35 -0.04 1.21 0.76 2w02B1 ILE 212 HG23 0.08 -0.00 -0.08 -0.04 0.93 0.88 2w02B1 ILE 212 HD13 0.05 0.00 -0.06 -0.04 0.88 0.83 2w02B1 GLY 213 H 0.10 0.59 0.33 -0.55 8.43 8.90 2w02B1 GLY 213 HA2 0.07 0.13 0.85 -0.51 4.01 4.56 2w02B1 GLY 213 HA3 0.08 0.01 0.34 -0.51 4.01 3.93 2w02B1 ALA 214 H 0.06 0.25 0.12 -0.55 8.40 8.28 2w02B1 ALA 214 HA 0.04 0.38 0.85 -0.75 4.34 4.86 2w02B1 ALA 214 HB3 0.04 0.01 -0.19 -0.04 1.41 1.23 2w02B1 ASN 215 H 0.04 0.66 0.27 -0.55 8.53 8.96 2w02B1 ASN 215 HA 0.04 0.14 0.84 -0.75 4.76 5.02 2w02B1 ASN 215 HB2 0.06 -0.01 0.12 -0.04 2.88 3.02 2w02B1 ASN 215 HB3 0.05 0.01 0.01 -0.04 2.79 2.81 2w02B1 ASN 215 HD21 0.06 0.11 -0.07 -0.04 7.03 7.10 2w02B1 ASN 215 HD22 0.07 -0.00 -0.11 -0.04 7.74 7.65 2w02B1 GLY 216 H 0.03 0.20 0.05 -0.55 8.43 8.17 2w02B1 GLY 216 HA2 0.03 0.01 0.30 -0.51 4.01 3.83 2w02B1 GLY 216 HA3 0.04 0.12 0.47 -0.51 4.01 4.13 2w02B1 LEU 217 H 0.03 0.13 -0.51 -0.55 8.37 7.48 2w02B1 LEU 217 HA 0.03 0.12 0.64 -0.75 4.35 4.39 2w02B1 LEU 217 HB2 0.01 0.01 -0.15 -0.04 1.64 1.46 2w02B1 LEU 217 HB3 0.01 -0.02 -0.11 -0.04 1.64 1.47 2w02B1 LEU 217 HG 0.04 0.08 -0.39 -0.04 1.64 1.32 2w02B1 LEU 217 HD13 -0.08 0.01 -0.24 -0.04 0.93 0.58 2w02B1 LEU 217 HD23 0.08 0.03 -0.03 -0.04 0.89 0.93 2w02B1 THR 218 H 0.03 0.10 0.08 -0.55 8.28 7.94 2w02B1 THR 218 HA 0.03 0.25 0.69 -0.75 4.39 4.60 2w02B1 THR 218 HB 0.02 0.04 0.15 -0.04 4.32 4.49 2w02B1 THR 218 HG23 0.02 0.04 0.01 -0.04 1.22 1.26 2w02B1 PRO 219 HA 0.05 0.15 0.44 -0.51 4.44 4.56 2w02B1 PRO 219 HB2 0.03 0.00 0.02 -0.04 2.28 2.30 2w02B1 PRO 219 HB3 0.04 0.08 0.05 -0.04 2.02 2.16 2w02B1 PRO 219 HG2 0.03 0.07 0.08 -0.04 2.03 2.17 2w02B1 PRO 219 HG3 0.04 0.13 0.05 -0.04 2.03 2.20 2w02B1 PRO 219 HD2 0.03 0.06 0.22 -0.04 3.68 3.94 2w02B1 PRO 219 HD3 0.03 0.22 0.20 -0.04 3.65 4.06 2w02B1 GLN 220 H 0.03 0.12 -0.22 -0.55 8.47 7.85 2w02B1 GLN 220 HA 0.04 0.13 0.42 -0.75 4.36 4.19 2w02B1 GLN 220 HB2 0.02 0.04 0.06 -0.04 2.15 2.24 2w02B1 GLN 220 HB3 0.02 -0.04 0.04 -0.04 2.02 2.00 2w02B1 GLN 220 HG2 0.02 0.03 -0.03 -0.04 2.40 2.38 2w02B1 GLN 220 HG3 0.03 0.00 -0.16 -0.04 2.39 2.22 2w02B1 GLN 220 HE21 0.02 0.07 -0.02 -0.04 6.97 7.00 2w02B1 GLN 220 HE22 0.02 -0.02 -0.01 -0.04 7.69 7.64 2w02B1 GLN 221 H 0.03 0.02 -0.22 -0.55 8.47 7.74 2w02B1 GLN 221 HA 0.03 0.08 0.46 -0.75 4.36 4.18 2w02B1 GLN 221 HB2 0.02 -0.04 0.13 -0.04 2.15 2.23 2w02B1 GLN 221 HB3 0.03 0.08 -0.01 -0.04 2.02 2.08 2w02B1 GLN 221 HG2 0.03 0.07 0.04 -0.04 2.40 2.50 2w02B1 GLN 221 HG3 0.03 -0.06 0.03 -0.04 2.39 2.34 2w02B1 GLN 221 HE21 0.02 0.06 0.01 -0.04 6.97 7.02 2w02B1 GLN 221 HE22 0.02 0.02 0.01 -0.04 7.69 7.70 2w02B1 VAL 222 H 0.02 0.37 -0.41 -0.55 8.24 7.68 2w02B1 VAL 222 HA -0.12 0.05 0.53 -0.75 4.13 3.83 2w02B1 VAL 222 HB 0.07 0.12 0.14 -0.04 2.12 2.40 2w02B1 VAL 222 HG13 0.19 0.01 -0.17 -0.04 0.97 0.96 2w02B1 VAL 222 HG23 -0.01 0.04 -0.03 -0.04 0.95 0.91 2w02B1 LEU 223 H 0.08 0.49 -0.03 -0.55 8.37 8.37 2w02B1 LEU 223 HA 0.24 0.03 0.37 -0.75 4.35 4.23 2w02B1 LEU 223 HB2 0.06 0.07 0.18 -0.04 1.64 1.91 2w02B1 LEU 223 HB3 0.07 0.00 0.06 -0.04 1.64 1.73 2w02B1 LEU 223 HG 0.07 0.17 0.06 -0.04 1.64 1.90 2w02B1 LEU 223 HD13 0.04 -0.04 -0.05 -0.04 0.93 0.85 2w02B1 LEU 223 HD23 0.06 -0.01 -0.05 -0.04 0.89 0.85 2w02B1 ASP 224 H 0.05 0.39 -0.30 -0.55 8.40 8.00 2w02B1 ASP 224 HA 0.05 0.17 0.49 -0.75 4.63 4.58 2w02B1 ASP 224 HB2 0.05 0.11 0.09 -0.04 2.71 2.92 2w02B1 ASP 224 HB3 0.06 -0.06 -0.01 -0.04 2.70 2.65 2w02B1 GLY 225 H -0.02 0.34 -0.36 -0.55 8.43 7.84 2w02B1 GLY 225 HA2 0.18 -0.05 0.39 -0.51 4.01 4.02 2w02B1 GLY 225 HA3 -0.27 -0.00 0.25 -0.51 4.01 3.48 2w02B1 PHE 226 H 0.08 0.29 -0.28 -0.55 8.34 7.88 2w02B1 PHE 226 HA 0.02 0.04 0.48 -0.75 4.62 4.40 2w02B1 PHE 226 HB2 -0.01 0.14 0.14 -0.04 3.15 3.38 2w02B1 PHE 226 HB3 -0.02 -0.09 -0.03 -0.04 3.06 2.87 2w02B1 PHE 226 HD2 -0.01 0.04 -0.11 -0.04 7.28 7.16 2w02B1 PHE 226 HE2 -0.00 -0.03 -0.25 -0.04 7.38 7.05 2w02B1 PHE 226 HZ -0.01 -0.02 -0.64 -0.04 7.32 6.62 2w02B1 ALA 227 H 0.12 0.61 0.02 -0.55 8.40 8.60 2w02B1 ALA 227 HA -0.01 0.01 0.64 -0.75 4.34 4.22 2w02B1 ALA 227 HB3 0.01 0.04 -0.26 -0.04 1.41 1.16 2w02B1 ASP 228 H -0.04 0.11 0.07 -0.55 8.40 8.00 2w02B1 ASP 228 HA -0.00 0.03 0.63 -0.75 4.63 4.54 2w02B1 ASP 228 HB2 -0.04 0.05 0.12 -0.04 2.71 2.80 2w02B1 ASP 228 HB3 -0.04 0.04 0.14 -0.04 2.70 2.80 2w02B1 GLN 229 H 0.01 0.15 0.20 -0.55 8.47 8.28 2w02B1 GLN 229 HA 0.00 0.12 0.38 -0.75 4.36 4.11 2w02B1 GLN 229 HB2 0.02 -0.03 0.04 -0.04 2.15 2.13 2w02B1 GLN 229 HB3 0.02 0.00 0.10 -0.04 2.02 2.10 2w02B1 GLN 229 HG2 0.03 0.29 -0.05 -0.04 2.40 2.63 2w02B1 GLN 229 HG3 0.04 -0.08 -0.08 -0.04 2.39 2.23 2w02B1 GLN 229 HE21 0.04 0.58 0.14 -0.04 6.97 7.69 2w02B1 GLN 229 HE22 0.06 0.43 -0.03 -0.04 7.69 8.11 2w02B1 GLN 230 H -0.00 -0.02 -0.19 -0.55 8.47 7.71 2w02B1 GLN 230 HA 0.00 0.03 0.40 -0.75 4.36 4.04 2w02B1 GLN 230 HB2 -0.01 -0.04 0.02 -0.04 2.15 2.07 2w02B1 GLN 230 HB3 -0.01 0.06 -0.11 -0.04 2.02 1.91 2w02B1 GLN 230 HG2 -0.00 -0.03 0.04 -0.04 2.40 2.37 2w02B1 GLN 230 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.34 2w02B1 GLN 230 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.90 2w02B1 GLN 230 HE22 -0.01 -0.02 -0.01 -0.04 7.69 7.62 2w02B1 PRO 231 HA -0.02 0.08 0.29 -0.51 4.44 4.28 2w02B1 PRO 231 HB2 -0.03 0.03 -0.14 -0.04 2.28 2.09 2w02B1 PRO 231 HB3 -0.03 -0.01 0.03 -0.04 2.02 1.96 2w02B1 PRO 231 HG2 -0.04 0.07 -0.06 -0.04 2.03 1.96 2w02B1 PRO 231 HG3 -0.03 -0.02 -0.05 -0.04 2.03 1.90 2w02B1 PRO 231 HD2 -0.02 0.35 -0.24 -0.04 3.68 3.73 2w02B1 PRO 231 HD3 -0.02 -0.10 -0.12 -0.04 3.65 3.38 2w02B1 ALA 232 H -0.00 0.39 -0.69 -0.55 8.40 7.55 2w02B1 ALA 232 HA -0.01 -0.05 0.43 -0.75 4.34 3.95 2w02B1 ALA 232 HB3 0.02 0.00 -0.12 -0.04 1.41 1.27 2w02B1 SER 233 H -0.02 0.03 0.07 -0.55 8.46 7.99 2w02B1 SER 233 HA 0.01 0.10 0.52 -0.75 4.49 4.37 2w02B1 SER 233 HB2 0.01 0.02 0.10 -0.04 3.95 4.04 2w02B1 SER 233 HB3 -0.05 -0.00 0.08 -0.04 3.93 3.91 2w02B1 PRO 234 HA 0.05 0.05 0.44 -0.51 4.44 4.47 2w02B1 PRO 234 HB2 0.05 0.01 0.04 -0.04 2.28 2.33 2w02B1 PRO 234 HB3 0.03 -0.00 0.11 -0.04 2.02 2.11 2w02B1 PRO 234 HG2 0.03 0.01 0.09 -0.04 2.03 2.12 2w02B1 PRO 234 HG3 0.02 0.06 0.10 -0.04 2.03 2.18 2w02B1 PRO 234 HD2 0.05 0.08 0.18 -0.04 3.68 3.94 2w02B1 PRO 234 HD3 0.02 0.15 0.22 -0.04 3.65 4.00 2w02B1 GLY 235 H 0.01 0.14 0.19 -0.55 8.43 8.22 2w02B1 GLY 235 HA2 -0.06 -0.05 0.37 -0.51 4.01 3.76 2w02B1 GLY 235 HA3 -0.11 0.09 0.48 -0.51 4.01 3.96 2w02B1 HIS 236 H 0.10 0.45 -0.32 -0.55 8.41 8.10 2w02B1 HIS 236 HA -0.01 0.03 1.14 -0.75 4.63 5.04 2w02B1 HIS 236 HB2 -0.02 0.04 -0.09 -0.04 3.26 3.15 2w02B1 HIS 236 HB3 -0.05 0.06 -0.02 -0.04 3.20 3.15 2w02B1 HIS 236 HD2 -0.05 -0.04 -0.59 -0.04 6.97 6.24 2w02B1 HIS 236 HE1 0.00 -0.03 -0.06 -0.04 7.75 7.62 2w02B1 ALA 237 H 0.05 0.76 0.35 -0.55 8.40 9.01 2w02B1 ALA 237 HA 0.03 0.18 0.80 -0.75 4.34 4.59 2w02B1 ALA 237 HB3 0.02 -0.00 -0.08 -0.04 1.41 1.30 2w02B1 ILE 238 H 0.01 0.20 0.10 -0.55 8.25 8.01 2w02B1 ILE 238 HA -0.03 0.32 1.15 -0.75 4.18 4.87 2w02B1 ILE 238 HB -0.01 -0.01 -0.06 -0.04 1.89 1.77 2w02B1 ILE 238 HG12 -0.04 -0.00 -0.23 -0.04 1.49 1.18 2w02B1 ILE 238 HG13 -0.02 -0.06 -0.41 -0.04 1.21 0.67 2w02B1 ILE 238 HG23 -0.04 -0.00 -0.33 -0.04 0.93 0.52 2w02B1 ILE 238 HD13 -0.03 0.01 -0.26 -0.04 0.88 0.57 2w02B1 ILE 239 H -0.03 0.52 0.28 -0.55 8.25 8.47 2w02B1 ILE 239 HA -0.07 0.17 0.86 -0.75 4.18 4.39 2w02B1 ILE 239 HB -0.13 0.13 0.03 -0.04 1.89 1.88 2w02B1 ILE 239 HG12 -0.08 0.01 -0.03 -0.04 1.49 1.34 2w02B1 ILE 239 HG13 0.05 -0.04 -0.17 -0.04 1.21 1.01 2w02B1 ILE 239 HG23 -0.06 -0.02 -0.22 -0.04 0.93 0.58 2w02B1 ILE 239 HD13 -0.08 0.01 -0.14 -0.04 0.88 0.63 2w02B1 CYS 240 H -0.12 0.21 0.14 -0.55 8.50 8.17 2w02B1 CYS 240 HA -0.05 0.30 1.07 -0.75 4.58 5.15 2w02B1 CYS 240 HB2 -0.12 0.01 -0.04 -0.04 2.97 2.77 2w02B1 CYS 240 HB3 -0.05 -0.05 -0.24 -0.04 2.97 2.59 2w02B1 MET 241 H -0.07 0.80 0.29 -0.55 8.47 8.93 2w02B1 MET 241 HA -0.04 0.10 0.36 -0.75 4.52 4.18 2w02B1 MET 241 HB2 -0.05 -0.03 0.11 -0.04 2.15 2.14 2w02B1 MET 241 HB3 -0.09 0.18 0.09 -0.04 2.03 2.17 2w02B1 MET 241 HG2 0.09 -0.02 -0.41 -0.04 2.63 2.24 2w02B1 MET 241 HG3 0.03 -0.07 -0.24 -0.04 2.56 2.24 2w02B1 MET 241 HE3 -0.61 0.01 -0.18 -0.04 2.10 1.28 2w02B1 HIS 242 H 0.14 0.25 0.14 -0.55 8.41 8.39 2w02B1 HIS 242 HA 0.10 0.17 0.51 -0.75 4.63 4.66 2w02B1 HIS 242 HB2 0.19 0.17 0.17 -0.04 3.26 3.75 2w02B1 HIS 242 HB3 -0.05 -0.21 0.18 -0.04 3.20 3.08 2w02B1 HIS 242 HD2 0.14 0.09 0.05 -0.04 6.97 7.21 2w02B1 HIS 242 HE1 -1.32 0.03 -0.03 -0.04 7.75 6.39 2w02B1 PRO 243 HA -0.00 0.06 0.46 -0.51 4.44 4.45 2w02B1 PRO 243 HB2 -0.80 0.03 0.04 -0.04 2.28 1.51 2w02B1 PRO 243 HB3 0.02 0.05 0.09 -0.04 2.02 2.14 2w02B1 PRO 243 HG2 0.10 0.12 0.03 -0.04 2.03 2.24 2w02B1 PRO 243 HG3 -0.07 0.12 0.15 -0.04 2.03 2.19 2w02B1 PRO 243 HD2 -0.42 0.13 0.21 -0.04 3.68 3.57 2w02B1 PRO 243 HD3 -0.37 0.19 0.32 -0.04 3.65 3.75 2w02B1 VAL 244 H -0.27 0.19 -0.21 -0.55 8.24 7.39 2w02B1 VAL 244 HA -0.49 0.08 0.40 -0.75 4.13 3.37 2w02B1 VAL 244 HB -1.14 -0.01 0.01 -0.04 2.12 0.94 2w02B1 VAL 244 HG13 -0.63 0.00 -0.18 -0.04 0.97 0.11 2w02B1 VAL 244 HG23 -2.08 0.03 -0.05 -0.04 0.95 -1.19 2w02B1 GLN 245 H -0.16 0.12 -0.28 -0.55 8.47 7.61 2w02B1 GLN 245 HA -0.08 -0.06 0.41 -0.75 4.36 3.88 2w02B1 GLN 245 HB2 -0.08 -0.03 0.20 -0.04 2.15 2.19 2w02B1 GLN 245 HB3 -0.02 0.16 0.18 -0.04 2.02 2.30 2w02B1 GLN 245 HG2 -0.10 0.21 0.05 -0.04 2.40 2.52 2w02B1 GLN 245 HG3 -0.11 -0.05 -0.24 -0.04 2.39 1.96 2w02B1 GLN 245 HE21 -0.12 -0.14 -0.08 -0.04 6.97 6.59 2w02B1 GLN 245 HE22 -0.18 0.45 0.09 -0.04 7.69 8.01 2w02B1 ALA 246 H -0.08 0.63 -0.14 -0.55 8.40 8.27 2w02B1 ALA 246 HA 0.13 0.01 0.38 -0.75 4.34 4.10 2w02B1 ALA 246 HB3 -0.50 0.06 -0.01 -0.04 1.41 0.92 2w02B1 GLN 247 H -0.07 0.46 -0.29 -0.55 8.47 8.02 2w02B1 GLN 247 HA 0.05 0.03 0.36 -0.75 4.36 4.04 2w02B1 GLN 247 HB2 -0.05 0.15 0.15 -0.04 2.15 2.37 2w02B1 GLN 247 HB3 0.06 -0.07 -0.03 -0.04 2.02 1.95 2w02B1 GLN 247 HG2 -0.03 0.23 0.04 -0.04 2.40 2.60 2w02B1 GLN 247 HG3 0.01 -0.04 -0.01 -0.04 2.39 2.31 2w02B1 GLN 247 HE21 0.11 -0.01 -0.04 -0.04 6.97 6.99 2w02B1 GLN 247 HE22 0.13 -0.02 -0.03 -0.04 7.69 7.73 2w02B1 LEU 248 H 0.01 0.47 -0.03 -0.55 8.37 8.28 2w02B1 LEU 248 HA 0.09 -0.00 0.49 -0.75 4.35 4.17 2w02B1 LEU 248 HB2 0.05 0.08 0.17 -0.04 1.64 1.89 2w02B1 LEU 248 HB3 0.09 -0.05 0.04 -0.04 1.64 1.69 2w02B1 LEU 248 HG 0.00 0.18 0.08 -0.04 1.64 1.86 2w02B1 LEU 248 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.84 2w02B1 LEU 248 HD23 0.09 -0.02 0.04 -0.04 0.89 0.96 2w02B1 PHE 249 H 0.19 0.81 -0.11 -0.55 8.34 8.68 2w02B1 PHE 249 HA 0.06 -0.08 0.38 -0.75 4.62 4.22 2w02B1 PHE 249 HB2 -0.07 0.09 0.05 -0.04 3.15 3.18 2w02B1 PHE 249 HB3 -0.01 0.20 0.14 -0.04 3.06 3.35 2w02B1 PHE 249 HD2 -0.33 0.01 -0.06 -0.04 7.28 6.85 2w02B1 PHE 249 HE2 -0.60 -0.03 -0.09 -0.04 7.38 6.61 2w02B1 PHE 249 HZ 0.25 -0.02 -0.10 -0.04 7.32 7.41 2w02B1 MET 250 H 0.14 0.51 -0.35 -0.55 8.47 8.22 2w02B1 MET 250 HA -0.13 -0.01 0.34 -0.75 4.52 3.97 2w02B1 MET 250 HB2 0.10 0.13 0.08 -0.04 2.15 2.41 2w02B1 MET 250 HB3 0.06 -0.08 0.07 -0.04 2.03 2.05 2w02B1 MET 250 HG2 0.10 -0.08 -0.10 -0.04 2.63 2.51 2w02B1 MET 250 HG3 0.30 0.10 -0.05 -0.04 2.56 2.87 2w02B1 MET 250 HE3 0.08 0.00 -0.17 -0.04 2.10 1.97 2w02B1 GLN 251 H 0.06 0.48 -0.37 -0.55 8.47 8.10 2w02B1 GLN 251 HA 0.02 0.09 0.68 -0.75 4.36 4.40 2w02B1 GLN 251 HB2 0.05 -0.03 -0.03 -0.04 2.15 2.09 2w02B1 GLN 251 HB3 0.04 -0.09 0.12 -0.04 2.02 2.05 2w02B1 GLN 251 HG2 0.07 -0.02 0.02 -0.04 2.40 2.43 2w02B1 GLN 251 HG3 0.08 0.26 0.23 -0.04 2.39 2.93 2w02B1 GLN 251 HE21 0.10 -0.06 0.00 -0.04 6.97 6.98 2w02B1 GLN 251 HE22 0.11 0.02 -0.09 -0.04 7.69 7.69 2w02B1 ASP 252 H -0.01 0.40 -0.18 -0.55 8.40 8.07 2w02B1 ASP 252 HA -0.10 0.06 0.50 -0.75 4.63 4.34 2w02B1 ASP 252 HB2 0.03 0.13 0.12 -0.04 2.71 2.94 2w02B1 ASP 252 HB3 -0.11 0.06 0.20 -0.04 2.70 2.81 2w02B1 ALA 253 H -0.13 0.21 0.23 -0.55 8.40 8.16 2w02B1 ALA 253 HA -0.06 0.12 0.33 -0.75 4.34 3.98 2w02B1 ALA 253 HB3 -0.08 0.03 0.11 -0.04 1.41 1.43 2w02B1 ARG 254 H -0.22 0.08 -0.36 -0.55 8.46 7.41 2w02B1 ARG 254 HA 0.00 0.08 0.41 -0.75 4.34 4.07 2w02B1 ARG 254 HB2 -0.33 0.03 0.01 -0.04 1.90 1.58 2w02B1 ARG 254 HB3 0.16 0.03 0.01 -0.04 1.80 1.96 2w02B1 ARG 254 HG2 -0.06 0.02 0.02 -0.04 1.67 1.61 2w02B1 ARG 254 HG3 -0.23 -0.05 0.02 -0.04 1.67 1.36 2w02B1 ARG 254 HD2 -0.16 0.02 0.02 -0.04 3.22 3.06 2w02B1 ARG 254 HD3 -0.21 -0.02 0.02 -0.04 3.22 2.97 2w02B1 VAL 255 H -0.13 0.34 -0.13 -0.55 8.24 7.76 2w02B1 VAL 255 HA 0.08 0.04 0.59 -0.75 4.13 4.08 2w02B1 VAL 255 HB -0.25 0.21 0.16 -0.04 2.12 2.20 2w02B1 VAL 255 HG13 -0.41 -0.00 -0.22 -0.04 0.97 0.29 2w02B1 VAL 255 HG23 -0.71 -0.01 -0.01 -0.04 0.95 0.18 2w02B1 GLN 256 H -0.05 0.45 -0.12 -0.55 8.47 8.21 2w02B1 GLN 256 HA 0.00 0.06 0.40 -0.75 4.36 4.06 2w02B1 GLN 256 HB2 -0.02 0.06 0.12 -0.04 2.15 2.27 2w02B1 GLN 256 HB3 -0.00 -0.03 -0.03 -0.04 2.02 1.91 2w02B1 GLN 256 HG2 -0.03 0.14 -0.23 -0.04 2.40 2.24 2w02B1 GLN 256 HG3 -0.01 -0.04 -0.10 -0.04 2.39 2.20 2w02B1 GLN 256 HE21 0.03 -0.10 0.01 -0.04 6.97 6.87 2w02B1 GLN 256 HE22 0.00 0.69 0.12 -0.04 7.69 8.45 2w02B1 GLN 257 H 0.01 0.50 -0.26 -0.55 8.47 8.17 2w02B1 GLN 257 HA 0.02 0.04 0.44 -0.75 4.36 4.11 2w02B1 GLN 257 HB2 0.01 0.07 0.13 -0.04 2.15 2.32 2w02B1 GLN 257 HB3 0.05 0.06 0.14 -0.04 2.02 2.22 2w02B1 GLN 257 HG2 0.02 -0.03 -0.01 -0.04 2.40 2.34 2w02B1 GLN 257 HG3 0.03 -0.01 -0.14 -0.04 2.39 2.23 2w02B1 GLN 257 HE21 0.01 0.02 -0.01 -0.04 6.97 6.95 2w02B1 GLN 257 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.64 2w02B1 LEU 258 H 0.09 0.41 -0.14 -0.55 8.37 8.18 2w02B1 LEU 258 HA 0.08 -0.00 0.40 -0.75 4.35 4.07 2w02B1 LEU 258 HB2 0.12 0.16 0.11 -0.04 1.64 1.99 2w02B1 LEU 258 HB3 0.11 -0.13 0.03 -0.04 1.64 1.61 2w02B1 LEU 258 HG 0.20 0.23 0.16 -0.04 1.64 2.19 2w02B1 LEU 258 HD13 0.27 -0.01 -0.03 -0.04 0.93 1.12 2w02B1 LEU 258 HD23 0.13 -0.03 0.01 -0.04 0.89 0.96 2w02B1 LEU 259 H 0.05 0.48 -0.31 -0.55 8.37 8.04 2w02B1 LEU 259 HA 0.05 0.20 0.56 -0.75 4.35 4.41 2w02B1 LEU 259 HB2 0.04 0.09 0.15 -0.04 1.64 1.89 2w02B1 LEU 259 HB3 0.05 -0.03 -0.01 -0.04 1.64 1.62 2w02B1 LEU 259 HG 0.06 0.02 -0.08 -0.04 1.64 1.60 2w02B1 LEU 259 HD13 0.09 -0.01 -0.12 -0.04 0.93 0.84 2w02B1 LEU 259 HD23 0.16 0.04 -0.12 -0.04 0.89 0.93 2w02B1 ARG 260 H 0.03 0.58 0.02 -0.55 8.46 8.53 2w02B1 ARG 260 HA 0.02 0.01 0.50 -0.75 4.34 4.11 2w02B1 ARG 260 HB2 0.02 -0.01 0.16 -0.04 1.90 2.03 2w02B1 ARG 260 HB3 0.02 0.14 0.26 -0.04 1.80 2.17 2w02B1 ARG 260 HG2 0.02 -0.00 -0.20 -0.04 1.67 1.45 2w02B1 ARG 260 HG3 0.01 -0.03 0.03 -0.04 1.67 1.64 2w02B1 ARG 260 HD2 0.01 -0.00 0.01 -0.04 3.22 3.19 2w02B1 ARG 260 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.15 2w02B1 ASP 261 H 0.03 0.46 -0.19 -0.55 8.40 8.16 2w02B1 ASP 261 HA 0.02 0.09 0.54 -0.75 4.63 4.52 2w02B1 ASP 261 HB2 0.04 -0.04 0.05 -0.04 2.71 2.72 2w02B1 ASP 261 HB3 0.03 -0.04 0.08 -0.04 2.70 2.73 2w02B1 ASN 262 H 0.03 0.28 -0.62 -0.55 8.53 7.68 2w02B1 ASN 262 HA 0.02 0.20 0.35 -0.75 4.76 4.57 2w02B1 ASN 262 HB2 0.01 0.06 0.21 -0.04 2.88 3.12 2w02B1 ASN 262 HB3 -0.01 -0.07 0.12 -0.04 2.79 2.80 2w02B1 ASN 262 HD21 0.01 -0.04 -0.09 -0.04 7.03 6.86 2w02B1 ASN 262 HD22 0.01 0.05 -0.20 -0.04 7.74 7.57 2w02B1 VAL 263 H 0.05 0.42 0.03 -0.55 8.24 8.19 2w02B1 VAL 263 HA 0.08 0.10 0.70 -0.75 4.13 4.26 2w02B1 VAL 263 HB 0.11 -0.07 0.13 -0.04 2.12 2.25 2w02B1 VAL 263 HG13 0.20 -0.03 -0.02 -0.04 0.97 1.08 2w02B1 VAL 263 HG23 0.07 -0.01 -0.04 -0.04 0.95 0.93 2w02B1 ILE 264 H 0.02 0.21 -0.03 -0.55 8.25 7.90 2w02B1 ILE 264 HA -0.11 0.36 0.85 -0.75 4.18 4.53 2w02B1 ILE 264 HB -0.18 0.05 0.02 -0.04 1.89 1.74 2w02B1 ILE 264 HG12 0.01 -0.13 -0.21 -0.04 1.49 1.12 2w02B1 ILE 264 HG13 0.04 0.02 -0.44 -0.04 1.21 0.78 2w02B1 ILE 264 HG23 -0.58 -0.03 -0.16 -0.04 0.93 0.11 2w02B1 ILE 264 HD13 -0.08 0.00 -0.15 -0.04 0.88 0.62 2w02B1 ARG 265 H 0.01 0.44 0.23 -0.55 8.46 8.59 2w02B1 ARG 265 HA 0.06 0.19 0.93 -0.75 4.34 4.76 2w02B1 ARG 265 HB2 -0.03 -0.09 0.07 -0.04 1.90 1.81 2w02B1 ARG 265 HB3 -0.01 0.06 -0.15 -0.04 1.80 1.66 2w02B1 ARG 265 HG2 -0.02 0.12 -0.08 -0.04 1.67 1.65 2w02B1 ARG 265 HG3 -0.07 0.03 -0.29 -0.04 1.67 1.30 2w02B1 ARG 265 HD2 -0.03 0.01 -0.05 -0.04 3.22 3.11 2w02B1 ARG 265 HD3 -0.05 0.02 -0.06 -0.04 3.22 3.08 2w02B1 ASP 266 H 0.12 0.17 0.08 -0.55 8.40 8.22 2w02B1 ASP 266 HA -0.01 0.18 0.81 -0.75 4.63 4.86 2w02B1 ASP 266 HB2 0.24 -0.03 0.07 -0.04 2.71 2.95 2w02B1 ASP 266 HB3 0.09 -0.05 0.16 -0.04 2.70 2.86 2w02B1 LEU 267 H -0.20 0.42 0.31 -0.55 8.37 8.35 2w02B1 LEU 267 HA -0.11 0.05 0.64 -0.75 4.35 4.18 2w02B1 LEU 267 HB2 -0.18 0.06 -0.09 -0.04 1.64 1.38 2w02B1 LEU 267 HB3 -0.12 -0.06 0.01 -0.04 1.64 1.43 2w02B1 LEU 267 HG -0.08 -0.02 -0.16 -0.04 1.64 1.33 2w02B1 LEU 267 HD13 -0.07 0.00 -0.24 -0.04 0.93 0.58 2w02B1 LEU 267 HD23 -0.06 -0.00 -0.21 -0.04 0.89 0.58 2w02B1 GLY 268 H -0.17 0.07 -0.02 -0.55 8.43 7.76 2w02B1 GLY 268 HA2 -0.37 0.14 0.29 -0.51 4.01 3.55 2w02B1 GLY 268 HA3 -0.22 -0.01 0.32 -0.51 4.01 3.59 2w02B1 GLN 269 H -0.27 0.14 0.06 -0.55 8.47 7.85 2w02B1 GLN 269 HA -0.33 0.20 0.66 -0.75 4.36 4.13 2w02B1 GLN 269 HB2 -0.10 -0.07 0.20 -0.04 2.15 2.14 2w02B1 GLN 269 HB3 -0.09 0.18 0.09 -0.04 2.02 2.16 2w02B1 GLN 269 HG2 -0.16 0.01 -0.01 -0.04 2.40 2.20 2w02B1 GLN 269 HG3 -0.14 -0.09 0.03 -0.04 2.39 2.15 2w02B1 GLN 269 HE21 0.34 -0.07 0.04 -0.04 6.97 7.24 2w02B1 GLN 269 HE22 0.04 0.68 0.13 -0.04 7.69 8.51 2w02B1 SER 270 H -0.24 0.35 -0.32 -0.55 8.46 7.71 2w02B1 SER 270 HA -0.11 0.17 0.70 -0.75 4.49 4.49 2w02B1 SER 270 HB2 -0.10 0.01 -0.01 -0.04 3.95 3.81 2w02B1 SER 270 HB3 -0.12 -0.09 -0.10 -0.04 3.93 3.57 2w02B1 GLY 271 H -0.17 0.41 -0.09 -0.55 8.43 8.03 2w02B1 GLY 271 HA2 -0.11 0.01 0.26 -0.51 4.01 3.65 2w02B1 GLY 271 HA3 -0.15 0.07 0.23 -0.51 4.01 3.66 2w02B1 ARG 272 H -0.14 0.14 0.13 -0.55 8.46 8.04 2w02B1 ARG 272 HA -0.13 0.00 0.40 -0.75 4.34 3.87 2w02B1 ARG 272 HB2 -0.17 0.01 0.10 -0.04 1.90 1.79 2w02B1 ARG 272 HB3 -0.18 0.07 -0.11 -0.04 1.80 1.54 2w02B1 ARG 272 HG2 -0.23 -0.01 0.03 -0.04 1.67 1.41 2w02B1 ARG 272 HG3 -0.14 -0.12 0.08 -0.04 1.67 1.45 2w02B1 ARG 272 HD2 -0.12 0.34 -0.07 -0.04 3.22 3.32 2w02B1 ARG 272 HD3 -0.31 -0.04 -0.05 -0.04 3.22 2.78 2w02B1 VAL 273 H -0.09 0.10 0.17 -0.55 8.24 7.87 2w02B1 VAL 273 HA -0.05 0.22 0.56 -0.75 4.13 4.10 2w02B1 VAL 273 HB -0.03 -0.04 0.11 -0.04 2.12 2.12 2w02B1 VAL 273 HG13 0.03 -0.02 -0.26 -0.04 0.97 0.68 2w02B1 VAL 273 HG23 -0.04 -0.00 -0.03 -0.04 0.95 0.83 2w02B1 ALA 274 H 0.08 0.68 0.30 -0.55 8.40 8.92 2w02B1 ALA 274 HA 0.11 0.16 0.85 -0.75 4.34 4.71 2w02B1 ALA 274 HB3 0.17 -0.02 -0.27 -0.04 1.41 1.25 2w02B1 SER 275 H 0.30 0.62 0.33 -0.55 8.46 9.16 2w02B1 SER 275 HA 0.25 0.36 0.99 -0.75 4.49 5.32 2w02B1 SER 275 HB2 0.24 -0.17 0.12 -0.04 3.95 4.09 2w02B1 SER 275 HB3 0.14 0.23 0.09 -0.04 3.93 4.34 2w02B1 PRO 276 HA -0.50 0.03 0.51 -0.51 4.44 3.97 2w02B1 PRO 276 HB2 -0.19 0.04 -0.03 -0.04 2.28 2.06 2w02B1 PRO 276 HB3 -0.69 0.17 0.09 -0.04 2.02 1.55 2w02B1 PRO 276 HG2 -0.11 0.04 -0.29 -0.04 2.03 1.63 2w02B1 PRO 276 HG3 -0.94 -0.01 -0.05 -0.04 2.03 1.00 2w02B1 PRO 276 HD2 0.01 0.16 -0.00 -0.04 3.68 3.80 2w02B1 PRO 276 HD3 0.09 0.14 0.00 -0.04 3.65 3.85 2w02B1 THR 277 H -0.08 0.54 0.30 -0.55 8.28 8.50 2w02B1 THR 277 HA -0.03 0.18 0.71 -0.75 4.39 4.50 2w02B1 THR 277 HB 0.03 -0.13 0.17 -0.04 4.32 4.35 2w02B1 THR 277 HG23 0.32 0.01 -0.10 -0.04 1.22 1.42 2w02B1 ALA 278 H -0.06 0.09 0.16 -0.55 8.40 8.04 2w02B1 ALA 278 HA -0.05 0.19 0.34 -0.75 4.34 4.06 2w02B1 ALA 278 HB3 -0.08 0.05 0.15 -0.04 1.41 1.49 2w02B1 SER 279 H -0.01 -0.01 -0.25 -0.55 8.46 7.65 2w02B1 SER 279 HA -0.00 0.19 0.55 -0.75 4.49 4.47 2w02B1 SER 279 HB2 0.02 0.05 0.12 -0.04 3.95 4.09 2w02B1 SER 279 HB3 0.01 0.02 0.05 -0.04 3.93 3.97 2w02B1 ILE 280 H -0.04 0.38 -0.37 -0.55 8.25 7.67 2w02B1 ILE 280 HA -0.04 0.18 0.34 -0.75 4.18 3.90 2w02B1 ILE 280 HB 0.08 0.15 0.10 -0.04 1.89 2.18 2w02B1 ILE 280 HG12 0.02 0.09 -0.49 -0.04 1.49 1.08 2w02B1 ILE 280 HG13 0.06 -0.05 -0.12 -0.04 1.21 1.06 2w02B1 ILE 280 HG23 0.30 -0.00 -0.06 -0.04 0.93 1.12 2w02B1 ILE 280 HD13 0.08 0.03 0.01 -0.04 0.88 0.95 2w02B1 ARG 281 H 0.03 0.40 -0.41 -0.55 8.46 7.93 2w02B1 ARG 281 HA 0.23 0.17 0.79 -0.75 4.34 4.77 2w02B1 ARG 281 HB2 0.16 0.08 0.11 -0.04 1.90 2.21 2w02B1 ARG 281 HB3 0.11 -0.05 -0.00 -0.04 1.80 1.81 2w02B1 ARG 281 HG2 0.06 0.04 0.11 -0.04 1.67 1.83 2w02B1 ARG 281 HG3 0.06 0.19 0.12 -0.04 1.67 2.00 2w02B1 ARG 281 HD2 0.07 -0.14 -0.17 -0.04 3.22 2.94 2w02B1 ARG 281 HD3 0.09 0.10 -0.01 -0.04 3.22 3.37 2w02B1 THR 282 H -0.00 -0.01 -0.22 -0.55 8.28 7.49 2w02B1 THR 282 HA 0.31 0.41 1.11 -0.75 4.39 5.47 2w02B1 THR 282 HB 0.06 -0.13 0.02 -0.04 4.32 4.24 2w02B1 THR 282 HG23 0.15 0.01 -0.23 -0.04 1.22 1.11 2w02B1 TRP 283 H 0.59 0.66 0.26 -0.55 7.97 8.93 2w02B1 TRP 283 HA 0.21 0.21 0.75 -0.75 4.62 5.04 2w02B1 TRP 283 HB2 0.12 -0.05 -0.02 -0.04 3.23 3.24 2w02B1 TRP 283 HB3 0.10 0.00 -0.26 -0.04 3.23 3.03 2w02B1 TRP 283 HD1 0.11 0.26 -0.14 -0.04 7.22 7.41 2w02B1 TRP 283 HE1 0.03 -0.06 -0.10 -0.04 10.20 10.04 2w02B1 TRP 283 HE3 0.06 -0.05 -0.60 -0.04 7.59 6.96 2w02B1 TRP 283 HZ2 -1.30 -0.17 0.02 -0.04 7.44 5.95 2w02B1 TRP 283 HZ3 0.09 0.06 -0.07 -0.04 7.13 7.16 2w02B1 TRP 283 HH2 -0.03 -0.03 -0.07 -0.04 7.19 7.01 2w02B1 PHE 284 H 0.44 0.91 0.30 -0.55 8.34 9.43 2w02B1 PHE 284 HA -0.05 0.12 0.92 -0.75 4.62 4.85 2w02B1 PHE 284 HB2 0.28 -0.03 -0.08 -0.04 3.15 3.28 2w02B1 PHE 284 HB3 0.14 0.12 0.10 -0.04 3.06 3.38 2w02B1 PHE 284 HD2 -0.46 0.04 -0.12 -0.04 7.28 6.70 2w02B1 PHE 284 HE2 -0.24 -0.06 -0.07 -0.04 7.38 6.97 2w02B1 PHE 284 HZ -0.05 -0.08 -0.04 -0.04 7.32 7.11 2w02B1 ILE 285 H -0.73 0.28 0.11 -0.55 8.25 7.36 2w02B1 ILE 285 HA -0.23 0.16 0.94 -0.75 4.18 4.30 2w02B1 ILE 285 HB -0.15 -0.03 0.11 -0.04 1.89 1.78 2w02B1 ILE 285 HG12 -0.06 0.12 -0.20 -0.04 1.49 1.30 2w02B1 ILE 285 HG13 -0.04 -0.15 -0.43 -0.04 1.21 0.55 2w02B1 ILE 285 HG23 -0.16 0.08 -0.08 -0.04 0.93 0.73 2w02B1 ILE 285 HD13 -0.16 0.01 -0.11 -0.04 0.88 0.58 2w02B1 ASP 286 H -0.25 0.16 0.03 -0.55 8.40 7.80 2w02B1 ASP 286 HA -0.36 -0.08 0.38 -0.75 4.63 3.82 2w02B1 ASP 286 HB2 0.18 -0.00 0.11 -0.04 2.71 2.96 2w02B1 ASP 286 HB3 0.00 0.07 0.04 -0.04 2.70 2.78 2w02B1 ASP 287 H -0.14 0.00 0.17 -0.55 8.40 7.89 2w02B1 ASP 287 HA -0.12 -0.02 0.36 -0.75 4.63 4.10 2w02B1 ASP 287 HB2 -0.05 0.06 -0.22 -0.04 2.71 2.47 2w02B1 ASP 287 HB3 -0.05 0.01 0.22 -0.04 2.70 2.84 2w02B1 HIS 288 H -0.23 0.36 0.04 -0.55 8.41 8.03 2w02B1 HIS 288 HA -0.16 0.07 0.27 -0.75 4.63 4.06 2w02B1 HIS 288 HB2 -0.17 0.10 0.09 -0.04 3.26 3.24 2w02B1 HIS 288 HB3 -0.27 0.10 0.12 -0.04 3.20 3.10 2w02B1 HIS 288 HD2 -0.08 0.18 0.02 -0.04 6.97 7.04 2w02B1 HIS 288 HE1 0.02 0.04 0.02 -0.04 7.75 7.78 2w02B1 ASP 289 H -0.74 0.19 0.11 -0.55 8.40 7.41 2w02B1 ASP 289 HA -0.50 0.05 0.33 -0.75 4.63 3.76 2w02B1 ASP 289 HB2 -1.14 0.05 0.09 -0.04 2.71 1.67 2w02B1 ASP 289 HB3 -1.12 -0.01 0.10 -0.04 2.70 1.63 2w02B1 TYR 290 H -0.74 0.16 -0.35 -0.55 8.29 6.81 2w02B1 TYR 290 HA -0.12 0.11 1.09 -0.75 4.56 4.89 2w02B1 TYR 290 HB2 -0.22 0.05 -0.06 -0.04 3.06 2.79 2w02B1 TYR 290 HB3 -0.12 0.15 0.11 -0.04 2.98 3.08 2w02B1 TYR 290 HD2 -0.25 0.06 -0.21 -0.04 7.15 6.71 2w02B1 TYR 290 HE2 -0.11 0.00 -0.09 -0.04 6.85 6.61 2w02B1 PHE 291 H 0.41 0.45 0.19 -0.55 8.34 8.83 2w02B1 PHE 291 HA 0.12 0.20 0.88 -0.75 4.62 5.07 2w02B1 PHE 291 HB2 0.10 -0.11 -0.01 -0.04 3.15 3.08 2w02B1 PHE 291 HB3 0.17 0.04 -0.03 -0.04 3.06 3.21 2w02B1 PHE 291 HD2 0.15 0.11 -0.32 -0.04 7.28 7.17 2w02B1 PHE 291 HE2 -0.07 -0.07 -0.01 -0.04 7.38 7.19 2w02B1 PHE 291 HZ -0.81 -0.05 -0.08 -0.04 7.32 6.34 2w02B1 ILE 292 H 0.38 0.45 0.21 -0.55 8.25 8.74 2w02B1 ILE 292 HA 0.16 0.21 0.91 -0.75 4.18 4.71 2w02B1 ILE 292 HB 0.18 -0.06 0.08 -0.04 1.89 2.05 2w02B1 ILE 292 HG12 0.05 -0.01 -0.08 -0.04 1.49 1.41 2w02B1 ILE 292 HG13 0.07 0.00 -0.46 -0.04 1.21 0.78 2w02B1 ILE 292 HG23 0.25 -0.00 -0.20 -0.04 0.93 0.94 2w02B1 ILE 292 HD13 0.03 0.04 -0.04 -0.04 0.88 0.87 2w02B1 LYS 293 H 0.24 0.79 0.34 -0.55 8.42 9.24 2w02B1 LYS 293 HA 0.27 0.21 1.01 -0.75 4.32 5.06 2w02B1 LYS 293 HB2 0.11 -0.10 -0.01 -0.04 1.87 1.83 2w02B1 LYS 293 HB3 0.13 0.03 0.13 -0.04 1.79 2.03 2w02B1 LYS 293 HG2 0.08 -0.01 -0.23 -0.04 1.46 1.27 2w02B1 LYS 293 HG3 0.10 0.09 -0.05 -0.04 1.46 1.57 2w02B1 LYS 293 HD2 0.03 -0.04 -0.08 -0.04 1.69 1.56 2w02B1 LYS 293 HD3 0.02 -0.07 -0.09 -0.04 1.68 1.50 2w02B1 LYS 293 HE2 0.03 -0.00 -0.14 -0.04 2.99 2.84 2w02B1 LYS 293 HE3 0.03 0.11 -0.10 -0.04 2.99 2.99 2w02B1 GLY 294 H 0.21 0.44 0.25 -0.55 8.43 8.79 2w02B1 GLY 294 HA2 0.08 0.25 1.05 -0.51 4.01 4.88 2w02B1 GLY 294 HA3 0.14 -0.03 0.38 -0.51 4.01 3.99 2w02B1 SER 295 H -0.01 0.47 0.28 -0.55 8.46 8.65 2w02B1 SER 295 HA -0.00 0.19 0.86 -0.75 4.49 4.79 2w02B1 SER 295 HB2 -0.10 0.13 0.20 -0.04 3.95 4.15 2w02B1 SER 295 HB3 -0.08 -0.16 0.15 -0.04 3.93 3.80 2w02B1 LEU 296 H -0.01 0.46 -0.06 -0.55 8.37 8.21 2w02B1 LEU 296 HA -0.06 0.02 0.57 -0.75 4.35 4.13 2w02B1 LEU 296 HB2 -0.01 0.10 -0.15 -0.04 1.64 1.54 2w02B1 LEU 296 HB3 0.01 0.06 0.13 -0.04 1.64 1.80 2w02B1 LEU 296 HG 0.01 -0.06 -0.21 -0.04 1.64 1.34 2w02B1 LEU 296 HD13 -0.36 -0.03 -0.06 -0.04 0.93 0.43 2w02B1 LEU 296 HD23 -0.12 0.03 -0.11 -0.04 0.89 0.64 2w02B1 ASN 297 H -0.02 0.19 -0.04 -0.55 8.53 8.12 2w02B1 ASN 297 HA 0.01 0.04 0.30 -0.75 4.76 4.36 2w02B1 ASN 297 HB2 -0.02 0.03 0.05 -0.04 2.88 2.89 2w02B1 ASN 297 HB3 0.04 0.03 0.18 -0.04 2.79 2.99 2w02B1 ASN 297 HD21 0.04 -0.02 -0.05 -0.04 7.03 6.96 2w02B1 ASN 297 HD22 -0.06 0.03 -0.06 -0.04 7.74 7.61 2w02B1 VAL 298 H 0.04 0.61 0.06 -0.55 8.24 8.40 2w02B1 VAL 298 HA 0.07 0.17 0.79 -0.75 4.13 4.41 2w02B1 VAL 298 HB 0.15 0.00 -0.23 -0.04 2.12 2.00 2w02B1 VAL 298 HG13 0.10 0.10 -0.41 -0.04 0.97 0.71 2w02B1 VAL 298 HG23 0.22 -0.01 -0.37 -0.04 0.95 0.75 2w02B1 ARG 299 H 0.03 0.19 0.13 -0.55 8.46 8.25 2w02B1 ARG 299 HA 0.01 0.23 0.46 -0.75 4.34 4.29 2w02B1 ARG 299 HB2 0.00 -0.01 0.15 -0.04 1.90 2.00 2w02B1 ARG 299 HB3 0.01 -0.04 -0.11 -0.04 1.80 1.62 2w02B1 ARG 299 HG2 0.03 -0.04 -0.12 -0.04 1.67 1.50 2w02B1 ARG 299 HG3 0.02 0.02 -0.04 -0.04 1.67 1.63 2w02B1 ARG 299 HD2 0.03 -0.06 -0.22 -0.04 3.22 2.92 2w02B1 ARG 299 HD3 0.03 -0.05 -0.39 -0.04 3.22 2.76 2w02B1 ILE 300 H -0.01 0.70 0.26 -0.55 8.25 8.65 2w02B1 ILE 300 HA -0.07 0.25 0.80 -0.75 4.18 4.40 2w02B1 ILE 300 HB -0.01 0.03 0.16 -0.04 1.89 2.02 2w02B1 ILE 300 HG12 -0.08 0.01 -0.08 -0.04 1.49 1.30 2w02B1 ILE 300 HG13 0.01 -0.04 -0.50 -0.04 1.21 0.63 2w02B1 ILE 300 HG23 -0.05 0.03 -0.08 -0.04 0.93 0.78 2w02B1 ILE 300 HD13 0.09 0.01 -0.07 -0.04 0.88 0.86 2w02B1 THR 301 H -0.11 0.29 0.09 -0.55 8.28 7.99 2w02B1 THR 301 HA -0.38 0.01 0.32 -0.75 4.39 3.59 2w02B1 THR 301 HB -0.88 -0.02 0.15 -0.04 4.32 3.52 2w02B1 THR 301 HG23 -0.30 -0.02 0.01 -0.04 1.22 0.87 2w02B1 ASN 302 H 0.02 0.02 -0.19 -0.55 8.53 7.84 2w02B1 ASN 302 HA 0.06 -0.05 0.21 -0.75 4.76 4.22 2w02B1 ASN 302 HB2 0.07 0.31 -0.02 -0.04 2.88 3.20 2w02B1 ASN 302 HB3 0.06 -0.02 0.13 -0.04 2.79 2.92 2w02B1 ASN 302 HD21 0.04 0.40 0.11 -0.04 7.03 7.54 2w02B1 ASN 302 HD22 0.07 0.04 0.02 -0.04 7.74 7.83 2w02B1 CYS 303 H 0.00 0.25 -0.37 -0.55 8.50 7.83 2w02B1 CYS 303 HA 0.03 0.11 0.74 -0.75 4.58 4.71 2w02B1 CYS 303 HB2 0.02 0.06 -0.01 -0.04 2.97 2.99 2w02B1 CYS 303 HB3 0.03 0.08 -0.06 -0.04 2.97 2.98 2w02B1 VAL 304 H 0.03 0.14 0.07 -0.55 8.24 7.93 2w02B1 VAL 304 HA 0.03 0.21 0.48 -0.75 4.13 4.09 2w02B1 VAL 304 HB 0.04 -0.00 -0.01 -0.04 2.12 2.10 2w02B1 VAL 304 HG13 0.03 -0.00 0.06 -0.04 0.97 1.02 2w02B1 VAL 304 HG23 0.03 -0.02 -0.19 -0.04 0.95 0.73 2w02B1 ARG 305 H 0.02 0.44 0.30 -0.55 8.46 8.67 2w02B1 ARG 305 HA 0.02 0.15 0.52 -0.75 4.34 4.27 2w02B1 ARG 305 HB2 0.03 0.03 0.29 -0.04 1.90 2.21 2w02B1 ARG 305 HB3 0.03 -0.05 0.25 -0.04 1.80 1.99 2w02B1 ARG 305 HG2 0.02 0.13 0.16 -0.04 1.67 1.93 2w02B1 ARG 305 HG3 0.03 -0.00 0.11 -0.04 1.67 1.76 2w02B1 ARG 305 HD2 0.02 -0.06 0.02 -0.04 3.22 3.16 2w02B1 ARG 305 HD3 0.02 -0.01 -0.21 -0.04 3.22 2.98 2w02B1 LYS 306 H 0.00 0.14 -0.59 -0.55 8.42 7.42 2w02B1 LYS 306 HA -0.03 -0.01 0.76 -0.75 4.32 4.29 2w02B1 LYS 306 HB2 -0.07 0.09 -0.03 -0.04 1.87 1.82 2w02B1 LYS 306 HB3 -0.03 -0.08 -0.18 -0.04 1.79 1.46 2w02B1 LYS 306 HG2 -0.01 0.07 -0.09 -0.04 1.46 1.39 2w02B1 LYS 306 HG3 -0.04 -0.05 -0.26 -0.04 1.46 1.07 2w02B1 LYS 306 HD2 -0.02 0.01 -0.10 -0.04 1.69 1.54 2w02B1 LYS 306 HD3 0.01 -0.03 -0.09 -0.04 1.68 1.53 2w02B1 LYS 306 HE2 0.03 0.03 -0.05 -0.04 2.99 2.96 2w02B1 LYS 306 HE3 0.04 -0.04 -0.07 -0.04 2.99 2.88 2w02B1 ASN 307 H -0.07 0.30 0.12 -0.55 8.53 8.34 2w02B1 ASN 307 HA -0.09 0.16 0.89 -0.75 4.76 4.97 2w02B1 ASN 307 HB2 -0.04 0.05 0.05 -0.04 2.88 2.89 2w02B1 ASN 307 HB3 -0.07 -0.03 -0.09 -0.04 2.79 2.55 2w02B1 ASN 307 HD21 -0.01 -0.02 -0.13 -0.04 7.03 6.83 2w02B1 ASN 307 HD22 -0.05 -0.05 -0.08 -0.04 7.74 7.53 2w02B1 ALA 308 H -0.24 0.20 0.02 -0.55 8.40 7.84 2w02B1 ALA 308 HA -0.19 0.11 0.46 -0.75 4.34 3.97 2w02B1 ALA 308 HB3 -0.81 0.01 0.08 -0.04 1.41 0.65 2w02B1 TRP 309 H 0.02 0.19 0.13 -0.55 7.97 7.77 2w02B1 TRP 309 HA -0.16 0.17 0.30 -0.75 4.62 4.17 2w02B1 TRP 309 HB2 -0.15 0.07 0.01 -0.04 3.23 3.12 2w02B1 TRP 309 HB3 -0.13 0.07 0.12 -0.04 3.23 3.25 2w02B1 TRP 309 HD1 -0.34 0.03 0.06 -0.04 7.22 6.93 2w02B1 TRP 309 HE1 -0.40 0.03 -0.03 -0.04 10.20 9.76 2w02B1 TRP 309 HE3 -0.13 0.04 -0.29 -0.04 7.59 7.17 2w02B1 TRP 309 HZ2 -0.16 0.00 -0.04 -0.04 7.44 7.20 2w02B1 TRP 309 HZ3 -0.28 0.03 -0.08 -0.04 7.13 6.76 2w02B1 TRP 309 HH2 -1.52 -0.07 -0.04 -0.04 7.19 5.53 2w02B1 TYR 310 H -1.85 0.07 -0.30 -0.55 8.29 5.67 2w02B1 TYR 310 HA -1.01 0.08 0.36 -0.75 4.56 3.23 2w02B1 TYR 310 HB2 -0.72 0.08 -0.21 -0.04 3.06 2.17 2w02B1 TYR 310 HB3 -2.17 -0.06 -0.11 -0.04 2.98 0.60 2w02B1 TYR 310 HD2 -1.00 0.04 -0.17 -0.04 7.15 5.97 2w02B1 TYR 310 HE2 -0.14 0.07 -0.04 -0.04 6.85 6.70 2w02B1 GLU 311 H -0.86 0.07 -0.35 -0.55 8.60 6.92 2w02B1 GLU 311 HA -0.10 0.16 0.60 -0.75 4.29 4.20 2w02B1 GLU 311 HB2 -0.30 0.07 0.05 -0.04 2.09 1.86 2w02B1 GLU 311 HB3 -0.11 0.04 -0.03 -0.04 1.99 1.84 2w02B1 GLU 311 HG2 -0.04 0.17 0.01 -0.04 2.34 2.45 2w02B1 GLU 311 HG3 -0.30 -0.14 -0.02 -0.04 2.34 1.84 2w02B1 LEU 312 H -0.18 0.57 -0.18 -0.55 8.37 8.04 2w02B1 LEU 312 HA -0.01 0.02 0.32 -0.75 4.35 3.93 2w02B1 LEU 312 HB2 -0.00 0.11 0.08 -0.04 1.64 1.78 2w02B1 LEU 312 HB3 0.04 -0.03 -0.15 -0.04 1.64 1.46 2w02B1 LEU 312 HG 0.02 0.01 -0.08 -0.04 1.64 1.55 2w02B1 LEU 312 HD13 0.02 -0.04 -0.06 -0.04 0.93 0.82 2w02B1 LEU 312 HD23 -0.07 0.00 -0.23 -0.04 0.89 0.55 2w02B1 GLU 313 H -0.05 0.38 -0.33 -0.55 8.60 8.06 2w02B1 GLU 313 HA 0.06 0.03 0.42 -0.75 4.29 4.05 2w02B1 GLU 313 HB2 -0.01 0.02 0.04 -0.04 2.09 2.10 2w02B1 GLU 313 HB3 0.09 -0.05 0.01 -0.04 1.99 2.01 2w02B1 GLU 313 HG2 0.14 -0.02 -0.12 -0.04 2.34 2.30 2w02B1 GLU 313 HG3 0.21 0.28 0.02 -0.04 2.34 2.81 2w02B1 SER 314 H -0.05 0.48 -0.22 -0.55 8.46 8.12 2w02B1 SER 314 HA 0.01 -0.02 0.41 -0.75 4.49 4.14 2w02B1 SER 314 HB2 -0.01 0.16 0.22 -0.04 3.95 4.28 2w02B1 SER 314 HB3 0.01 0.07 -0.04 -0.04 3.93 3.93 2w02B1 THR 315 H 0.03 0.56 -0.24 -0.55 8.28 8.09 2w02B1 THR 315 HA 0.15 0.00 0.22 -0.75 4.39 4.00 2w02B1 THR 315 HB 0.08 0.19 0.07 -0.04 4.32 4.62 2w02B1 THR 315 HG23 0.15 -0.02 -0.12 -0.04 1.22 1.19 2w02B1 VAL 316 H 0.07 0.34 -0.26 -0.55 8.24 7.84 2w02B1 VAL 316 HA 0.09 0.05 0.29 -0.75 4.13 3.81 2w02B1 VAL 316 HB 0.07 0.20 0.09 -0.04 2.12 2.44 2w02B1 VAL 316 HG13 0.07 -0.02 -0.16 -0.04 0.97 0.81 2w02B1 VAL 316 HG23 0.08 0.03 -0.03 -0.04 0.95 0.99 2w02B1 LEU 317 H 0.05 0.47 -0.21 -0.55 8.37 8.14 2w02B1 LEU 317 HA 0.03 -0.02 0.42 -0.75 4.35 4.04 2w02B1 LEU 317 HB2 0.03 0.21 0.10 -0.04 1.64 1.94 2w02B1 LEU 317 HB3 0.03 -0.06 0.01 -0.04 1.64 1.58 2w02B1 LEU 317 HG 0.05 0.16 0.05 -0.04 1.64 1.85 2w02B1 LEU 317 HD13 0.04 -0.03 -0.09 -0.04 0.93 0.81 2w02B1 LEU 317 HD23 0.05 -0.03 -0.02 -0.04 0.89 0.85 2w02B1 ILE 318 H 0.03 0.51 -0.23 -0.55 8.25 8.02 2w02B1 ILE 318 HA -0.06 0.05 0.39 -0.75 4.18 3.81 2w02B1 ILE 318 HB -0.02 0.04 0.14 -0.04 1.89 2.01 2w02B1 ILE 318 HG12 0.01 0.16 -0.07 -0.04 1.49 1.55 2w02B1 ILE 318 HG13 0.03 0.14 -0.09 -0.04 1.21 1.25 2w02B1 ILE 318 HG23 -0.38 -0.02 -0.14 -0.04 0.93 0.34 2w02B1 ILE 318 HD13 -0.02 -0.01 -0.13 -0.04 0.88 0.67 2w02B1 ASP 319 H 0.08 0.76 0.09 -0.55 8.40 8.78 2w02B1 ASP 319 HA 0.00 -0.03 0.42 -0.75 4.63 4.26 2w02B1 ASP 319 HB2 0.37 0.05 0.12 -0.04 2.71 3.21 2w02B1 ASP 319 HB3 0.15 0.14 0.06 -0.04 2.70 3.01 2w02B1 ARG 320 H 0.04 0.47 -0.38 -0.55 8.46 8.04 2w02B1 ARG 320 HA 0.04 -0.02 0.44 -0.75 4.34 4.04 2w02B1 ARG 320 HB2 0.04 0.03 0.11 -0.04 1.90 2.03 2w02B1 ARG 320 HB3 0.02 0.14 0.14 -0.04 1.80 2.06 2w02B1 ARG 320 HG2 0.01 0.04 -0.17 -0.04 1.67 1.51 2w02B1 ARG 320 HG3 0.02 -0.07 0.03 -0.04 1.67 1.61 2w02B1 ARG 320 HD2 0.04 0.01 0.01 -0.04 3.22 3.23 2w02B1 ARG 320 HD3 0.03 -0.00 -0.00 -0.04 3.22 3.21 2w02B1 LEU 321 H -0.04 0.52 -0.17 -0.55 8.37 8.14 2w02B1 LEU 321 HA -0.13 -0.00 0.44 -0.75 4.35 3.90 2w02B1 LEU 321 HB2 -0.14 0.06 0.12 -0.04 1.64 1.64 2w02B1 LEU 321 HB3 -0.21 0.18 0.20 -0.04 1.64 1.77 2w02B1 LEU 321 HG -0.65 -0.04 -0.23 -0.04 1.64 0.68 2w02B1 LEU 321 HD13 -0.74 -0.02 0.02 -0.04 0.93 0.15 2w02B1 LEU 321 HD23 -0.30 0.00 -0.07 -0.04 0.89 0.48 2w02B1 PHE 322 H 0.05 0.55 -0.19 -0.55 8.34 8.20 2w02B1 PHE 322 HA -0.19 0.01 0.27 -0.75 4.62 3.95 2w02B1 PHE 322 HB2 -0.23 0.09 0.08 -0.04 3.15 3.05 2w02B1 PHE 322 HB3 -0.08 -0.03 -0.09 -0.04 3.06 2.82 2w02B1 PHE 322 HD2 -0.36 0.12 -0.10 -0.04 7.28 6.90 2w02B1 PHE 322 HE2 -0.24 0.01 -0.13 -0.04 7.38 6.98 2w02B1 PHE 322 HZ -0.10 0.00 -0.17 -0.04 7.32 7.02 2w02B1 ARG 323 H 0.06 0.47 -0.23 -0.55 8.46 8.20 2w02B1 ARG 323 HA 0.04 0.03 0.65 -0.75 4.34 4.31 2w02B1 ARG 323 HB2 0.06 0.02 0.10 -0.04 1.90 2.04 2w02B1 ARG 323 HB3 0.03 0.13 0.14 -0.04 1.80 2.05 2w02B1 ARG 323 HG2 0.01 -0.01 -0.10 -0.04 1.67 1.54 2w02B1 ARG 323 HG3 0.02 -0.04 0.05 -0.04 1.67 1.66 2w02B1 ARG 323 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.19 2w02B1 ARG 323 HD3 0.05 0.02 -0.02 -0.04 3.22 3.22 2w02B1 GLN 324 H -0.04 0.58 -0.08 -0.55 8.47 8.39 2w02B1 GLN 324 HA -0.05 -0.03 0.42 -0.75 4.36 3.94 2w02B1 GLN 324 HB2 -0.03 -0.00 0.14 -0.04 2.15 2.21 2w02B1 GLN 324 HB3 -0.10 0.17 0.25 -0.04 2.02 2.30 2w02B1 GLN 324 HG2 -0.02 -0.01 -0.19 -0.04 2.40 2.14 2w02B1 GLN 324 HG3 -0.01 -0.06 0.03 -0.04 2.39 2.30 2w02B1 GLN 324 HE21 0.30 0.06 0.01 -0.04 6.97 7.29 2w02B1 GLN 324 HE22 0.25 -0.03 -0.04 -0.04 7.69 7.82 2w02B1 LEU 325 H -0.18 0.69 -0.07 -0.55 8.37 8.26 2w02B1 LEU 325 HA -0.08 -0.01 0.42 -0.75 4.35 3.92 2w02B1 LEU 325 HB2 -0.28 0.07 0.05 -0.04 1.64 1.43 2w02B1 LEU 325 HB3 -0.35 -0.02 -0.09 -0.04 1.64 1.14 2w02B1 LEU 325 HG -0.51 0.21 0.01 -0.04 1.64 1.31 2w02B1 LEU 325 HD13 -0.81 -0.01 -0.11 -0.04 0.93 -0.04 2w02B1 LEU 325 HD23 -0.68 -0.01 -0.03 -0.04 0.89 0.12 2w02B1 LEU 326 H -0.05 0.52 -0.18 -0.55 8.37 8.12 2w02B1 LEU 326 HA -0.01 -0.01 0.50 -0.75 4.35 4.08 2w02B1 LEU 326 HB2 0.02 0.10 0.21 -0.04 1.64 1.92 2w02B1 LEU 326 HB3 0.01 -0.05 0.00 -0.04 1.64 1.56 2w02B1 LEU 326 HG 0.06 0.04 0.04 -0.04 1.64 1.73 2w02B1 LEU 326 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.90 2w02B1 LEU 326 HD23 0.03 -0.01 0.00 -0.04 0.89 0.87 2w02B1 ASP 327 H -0.04 0.74 -0.10 -0.55 8.40 8.45 2w02B1 ASP 327 HA -0.03 -0.01 0.39 -0.75 4.63 4.23 2w02B1 ASP 327 HB2 -0.05 0.11 0.16 -0.04 2.71 2.89 2w02B1 ASP 327 HB3 -0.04 -0.08 0.01 -0.04 2.70 2.55 2w02B1 GLN 328 H -0.14 0.29 -0.25 -0.55 8.47 7.82 2w02B1 GLN 328 HA -0.12 0.17 0.94 -0.75 4.36 4.59 2w02B1 GLN 328 HB2 -0.64 0.06 0.10 -0.04 2.15 1.62 2w02B1 GLN 328 HB3 -0.44 -0.06 0.03 -0.04 2.02 1.51 2w02B1 GLN 328 HG2 -0.12 -0.00 -0.14 -0.04 2.40 2.10 2w02B1 GLN 328 HG3 -0.14 0.08 -0.03 -0.04 2.39 2.26 2w02B1 GLN 328 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.86 2w02B1 GLN 328 HE22 -0.06 0.01 0.00 -0.04 7.69 7.60 2w02B1 HIS 329 H -0.10 0.54 0.13 -0.55 8.41 8.43 2w02B1 HIS 329 HA 0.05 0.13 0.66 -0.75 4.63 4.72 2w02B1 HIS 329 HB2 -0.08 0.06 0.16 -0.04 3.26 3.36 2w02B1 HIS 329 HB3 0.17 -0.05 0.15 -0.04 3.20 3.43 2w02B1 HIS 329 HD2 0.08 0.04 -0.13 -0.04 6.97 6.91 2w02B1 HIS 329 HE1 0.18 0.00 -0.05 -0.04 7.75 7.84 2w02B1 ALA 330 H 0.03 0.28 -0.25 -0.55 8.40 7.91 2w02B1 ALA 330 HA 0.03 0.04 0.13 -0.75 4.34 3.78 2w02B1 ALA 330 HB3 0.01 0.07 0.11 -0.04 1.41 1.57 2w02B1 ASP 331 H 0.06 0.15 -0.24 -0.55 8.40 7.82 2w02B1 ASP 331 HA 0.03 0.09 0.53 -0.75 4.63 4.53 2w02B1 ASP 331 HB2 0.03 0.01 0.12 -0.04 2.71 2.83 2w02B1 ASP 331 HB3 0.03 -0.01 0.08 -0.04 2.70 2.76 2w02B1 THR 332 H 0.11 0.57 -0.31 -0.55 8.28 8.11 2w02B1 THR 332 HA 0.06 0.20 0.79 -0.75 4.39 4.69 2w02B1 THR 332 HB 0.05 -0.03 0.18 -0.04 4.32 4.49 2w02B1 THR 332 HG23 0.04 -0.02 -0.06 -0.04 1.22 1.15 2w02B1 LEU 333 H 0.07 0.28 -0.32 -0.55 8.37 7.85 2w02B1 LEU 333 HA 0.11 0.20 0.71 -0.75 4.35 4.61 2w02B1 LEU 333 HB2 0.04 0.06 0.03 -0.04 1.64 1.73 2w02B1 LEU 333 HB3 0.04 -0.06 0.11 -0.04 1.64 1.68 2w02B1 LEU 333 HG 0.03 0.19 -0.31 -0.04 1.64 1.51 2w02B1 LEU 333 HD13 -0.04 -0.04 -0.26 -0.04 0.93 0.55 2w02B1 LEU 333 HD23 -0.18 0.01 -0.21 -0.04 0.89 0.47 2w02B1 GLY 334 H 0.04 0.17 -0.15 -0.55 8.43 7.94 2w02B1 GLY 334 HA2 0.02 0.05 0.18 -0.51 4.01 3.76 2w02B1 GLY 334 HA3 0.03 0.15 -0.12 -0.51 4.01 3.55 2w02B1 GLY 335 H 0.02 0.03 -0.25 -0.55 8.43 7.68 2w02B1 GLY 335 HA2 -0.00 -0.01 0.23 -0.51 4.01 3.72 2w02B1 GLY 335 HA3 -0.02 0.14 0.58 -0.51 4.01 4.20 2w02B1 LEU 336 H 0.02 0.02 -0.12 -0.55 8.37 7.75 2w02B1 LEU 336 HA 0.00 0.09 0.30 -0.75 4.35 3.98 2w02B1 LEU 336 HB2 0.06 0.22 0.10 -0.04 1.64 1.97 2w02B1 LEU 336 HB3 0.05 -0.08 0.05 -0.04 1.64 1.62 2w02B1 LEU 336 HG 0.07 -0.08 -0.43 -0.04 1.64 1.16 2w02B1 LEU 336 HD13 0.08 0.01 -0.08 -0.04 0.93 0.90 2w02B1 LEU 336 HD23 0.25 -0.01 -0.10 -0.04 0.89 0.98 2w02B1 VAL 337 H -0.03 0.32 0.21 -0.55 8.24 8.20 2w02B1 VAL 337 HA -0.02 0.13 0.69 -0.75 4.13 4.18 2w02B1 VAL 337 HB -0.08 -0.01 0.09 -0.04 2.12 2.07 2w02B1 VAL 337 HG13 -0.07 -0.02 -0.12 -0.04 0.97 0.71 2w02B1 VAL 337 HG23 -0.04 0.06 -0.11 -0.04 0.95 0.81 2w02B1 ALA 338 H -0.01 0.28 0.07 -0.55 8.40 8.19 2w02B1 ALA 338 HA -0.10 0.33 1.05 -0.75 4.34 4.86 2w02B1 ALA 338 HB3 -0.08 0.01 -0.10 -0.04 1.41 1.19 2w02B1 ALA 339 H -0.17 0.44 0.21 -0.55 8.40 8.33 2w02B1 ALA 339 HA 0.00 0.01 0.63 -0.75 4.34 4.22 2w02B1 ALA 339 HB3 -0.07 -0.00 0.10 -0.04 1.41 1.40 2w02B1 ALA 340 H 0.03 0.10 0.25 -0.55 8.40 8.23 2w02B1 ALA 340 HA 0.16 0.11 0.44 -0.75 4.34 4.29 2w02B1 ALA 340 HB3 0.10 0.02 0.08 -0.04 1.41 1.57 2w02B1 GLU 341 H 0.23 0.17 0.09 -0.55 8.60 8.55 2w02B1 GLU 341 HA -0.04 0.32 1.08 -0.75 4.29 4.90 2w02B1 GLU 341 HB2 0.06 -0.04 0.20 -0.04 2.09 2.26 2w02B1 GLU 341 HB3 -0.02 0.08 0.11 -0.04 1.99 2.11 2w02B1 GLU 341 HG2 -0.26 0.05 -0.05 -0.04 2.34 2.03 2w02B1 GLU 341 HG3 -0.93 0.08 -0.21 -0.04 2.34 1.23 2w02B1 PRO 342 HA 0.08 0.07 0.28 -0.51 4.44 4.35 2w02B1 PRO 342 HB2 0.04 0.05 0.02 -0.04 2.28 2.35 2w02B1 PRO 342 HB3 0.08 0.03 0.03 -0.04 2.02 2.12 2w02B1 PRO 342 HG2 -0.02 0.03 -0.11 -0.04 2.03 1.90 2w02B1 PRO 342 HG3 0.17 0.01 -0.08 -0.04 2.03 2.09 2w02B1 PRO 342 HD2 -0.02 0.23 -0.08 -0.04 3.68 3.76 2w02B1 PRO 342 HD3 0.08 0.13 -0.33 -0.04 3.65 3.49 2w02B1 GLY 343 H -0.03 0.33 -0.14 -0.55 8.43 8.04 2w02B1 GLY 343 HA2 0.03 0.33 0.99 -0.51 4.01 4.86 2w02B1 GLY 343 HA3 -0.07 -0.03 0.28 -0.51 4.01 3.68 2w02B1 VAL 344 H 0.12 0.64 0.35 -0.55 8.24 8.80 2w02B1 VAL 344 HA 0.20 0.24 0.96 -0.75 4.13 4.77 2w02B1 VAL 344 HB 0.09 -0.14 0.09 -0.04 2.12 2.12 2w02B1 VAL 344 HG13 0.08 0.03 -0.16 -0.04 0.97 0.88 2w02B1 VAL 344 HG23 0.09 0.04 -0.13 -0.04 0.95 0.92 2w02B1 VAL 345 H 0.02 0.73 0.42 -0.55 8.24 8.87 2w02B1 VAL 345 HA 0.06 0.25 1.02 -0.75 4.13 4.71 2w02B1 VAL 345 HB -0.01 -0.06 -0.05 -0.04 2.12 1.95 2w02B1 VAL 345 HG13 -0.70 0.02 -0.02 -0.04 0.97 0.22 2w02B1 VAL 345 HG23 0.00 -0.00 -0.01 -0.04 0.95 0.90 2w02B1 SER 346 H 0.11 0.49 0.36 -0.55 8.46 8.87 2w02B1 SER 346 HA 0.04 0.28 0.24 -0.75 4.49 4.30 2w02B1 SER 346 HB2 0.08 -0.04 0.16 -0.04 3.95 4.12 2w02B1 SER 346 HB3 0.04 0.07 0.07 -0.04 3.93 4.08 2w02B1 TRP 347 H 0.24 0.27 0.09 -0.55 7.97 8.02 2w02B1 TRP 347 HA 0.06 0.31 0.86 -0.75 4.62 5.09 2w02B1 TRP 347 HB2 -0.03 0.00 -0.28 -0.04 3.23 2.89 2w02B1 TRP 347 HB3 -0.01 -0.01 -0.10 -0.04 3.23 3.07 2w02B1 TRP 347 HD1 -0.07 -0.03 -0.35 -0.04 7.22 6.72 2w02B1 TRP 347 HE1 -0.07 0.25 -0.02 -0.04 10.20 10.32 2w02B1 TRP 347 HE3 -0.01 0.01 -0.34 -0.04 7.59 7.21 2w02B1 TRP 347 HZ2 -0.08 -0.02 -0.07 -0.04 7.44 7.23 2w02B1 TRP 347 HZ3 -0.46 -0.03 -0.12 -0.04 7.13 6.48 2w02B1 TRP 347 HH2 -0.18 -0.04 -0.10 -0.04 7.19 6.82 2w02B1 SER 348 H -1.06 0.66 0.16 -0.55 8.46 7.68 2w02B1 SER 348 HA -1.01 0.04 0.27 -0.75 4.49 3.04 2w02B1 SER 348 HB2 -0.20 -0.08 0.10 -0.04 3.95 3.72 2w02B1 SER 348 HB3 -0.02 0.09 0.02 -0.04 3.93 3.98 2w02B1 PRO 349 HA -0.67 0.05 0.35 -0.51 4.44 3.67 2w02B1 PRO 349 HB2 -0.26 -0.20 0.06 -0.04 2.28 1.85 2w02B1 PRO 349 HB3 -0.17 0.06 0.08 -0.04 2.02 1.95 2w02B1 PRO 349 HG2 -0.36 0.02 0.04 -0.04 2.03 1.68 2w02B1 PRO 349 HG3 -0.38 0.10 0.04 -0.04 2.03 1.76 2w02B1 PRO 349 HD2 -0.71 0.06 0.09 -0.04 3.68 3.08 2w02B1 PRO 349 HD3 -1.80 0.16 0.10 -0.04 3.65 2.08 2w02B1 ALA 350 H -0.22 0.11 0.14 -0.55 8.40 7.89 2w02B1 ALA 350 HA -0.19 0.19 0.47 -0.75 4.34 4.05 2w02B1 ALA 350 HB3 -0.09 0.02 0.04 -0.04 1.41 1.34 2w02B1 ALA 351 H -0.10 -0.03 -0.25 -0.55 8.40 7.47 2w02B1 ALA 351 HA -0.06 0.16 0.54 -0.75 4.34 4.23 2w02B1 ALA 351 HB3 -0.04 -0.01 0.01 -0.04 1.41 1.33 2w02B1 ALA 352 H -0.15 0.14 -0.39 -0.55 8.40 7.45 2w02B1 ALA 352 HA -0.05 -0.07 0.41 -0.75 4.34 3.88 2w02B1 ALA 352 HB3 -0.10 0.02 -0.02 -0.04 1.41 1.27 2w02B1 GLY 353 H -0.04 -0.01 0.16 -0.55 8.43 8.00 2w02B1 GLY 353 HA2 -0.08 0.27 0.63 -0.51 4.01 4.32 2w02B1 GLY 353 HA3 -0.06 -0.02 0.36 -0.51 4.01 3.78 2w02B1 GLU 354 H -0.12 0.20 0.14 -0.55 8.60 8.27 2w02B1 GLU 354 HA -0.37 0.14 0.12 -0.75 4.29 3.43 2w02B1 GLU 354 HB2 -0.15 0.05 0.15 -0.04 2.09 2.11 2w02B1 GLU 354 HB3 -0.16 -0.01 0.08 -0.04 1.99 1.85 2w02B1 GLU 354 HG2 -0.99 -0.04 -0.00 -0.04 2.34 1.27 2w02B1 GLU 354 HG3 -0.25 0.06 0.02 -0.04 2.34 2.13 2w02B1 LEU 355 H -0.10 0.08 -0.13 -0.55 8.37 7.67 2w02B1 LEU 355 HA -0.01 0.09 0.33 -0.75 4.35 4.01 2w02B1 LEU 355 HB2 -0.01 0.01 0.11 -0.04 1.64 1.71 2w02B1 LEU 355 HB3 -0.01 -0.03 0.07 -0.04 1.64 1.63 2w02B1 LEU 355 HG 0.08 0.01 0.05 -0.04 1.64 1.74 2w02B1 LEU 355 HD13 0.02 0.02 0.00 -0.04 0.93 0.93 2w02B1 LEU 355 HD23 0.02 0.00 -0.18 -0.04 0.89 0.70 2w02B1 ASP 356 H -0.01 0.10 -0.11 -0.55 8.40 7.84 2w02B1 ASP 356 HA 0.15 0.05 0.51 -0.75 4.63 4.58 2w02B1 ASP 356 HB2 0.05 0.00 0.12 -0.04 2.71 2.84 2w02B1 ASP 356 HB3 0.25 0.04 0.00 -0.04 2.70 2.95 2w02B1 SER 357 H -0.06 0.55 -0.29 -0.55 8.46 8.11 2w02B1 SER 357 HA 0.04 0.03 0.31 -0.75 4.49 4.12 2w02B1 SER 357 HB2 -0.15 0.12 -0.22 -0.04 3.95 3.66 2w02B1 SER 357 HB3 -0.31 0.03 -0.07 -0.04 3.93 3.55 2w02B1 HIS 358 H -0.07 0.47 -0.21 -0.55 8.41 8.06 2w02B1 HIS 358 HA -0.04 0.03 0.47 -0.75 4.63 4.34 2w02B1 HIS 358 HB2 0.11 0.14 0.15 -0.04 3.26 3.62 2w02B1 HIS 358 HB3 0.24 -0.09 0.01 -0.04 3.20 3.32 2w02B1 HIS 358 HD2 0.10 -0.02 -0.04 -0.04 6.97 6.97 2w02B1 HIS 358 HE1 -1.07 0.01 -0.05 -0.04 7.75 6.60 2w02B1 TRP 359 H 0.38 0.38 -0.09 -0.55 7.97 8.09 2w02B1 TRP 359 HA 0.08 0.02 0.45 -0.75 4.62 4.42 2w02B1 TRP 359 HB2 0.03 0.03 0.16 -0.04 3.23 3.41 2w02B1 TRP 359 HB3 -0.02 0.06 0.23 -0.04 3.23 3.45 2w02B1 TRP 359 HD1 0.02 -0.01 0.02 -0.04 7.22 7.21 2w02B1 TRP 359 HE1 -0.01 0.02 -0.02 -0.04 10.20 10.15 2w02B1 TRP 359 HE3 -0.74 0.03 -0.04 -0.04 7.59 6.81 2w02B1 TRP 359 HZ2 -0.06 0.05 -0.01 -0.04 7.44 7.38 2w02B1 TRP 359 HZ3 -1.26 0.01 -0.04 -0.04 7.13 5.79 2w02B1 TRP 359 HH2 -0.35 0.15 0.07 -0.04 7.19 7.02 2w02B1 PHE 360 H 0.54 0.54 -0.03 -0.55 8.34 8.84 2w02B1 PHE 360 HA -0.01 -0.03 0.36 -0.75 4.62 4.19 2w02B1 PHE 360 HB2 0.13 0.08 0.21 -0.04 3.15 3.53 2w02B1 PHE 360 HB3 0.13 0.34 0.15 -0.04 3.06 3.63 2w02B1 PHE 360 HD2 0.41 0.11 -0.01 -0.04 7.28 7.76 2w02B1 PHE 360 HE2 0.25 -0.03 -0.06 -0.04 7.38 7.50 2w02B1 PHE 360 HZ 0.18 0.06 -0.23 -0.04 7.32 7.28 2w02B1 ARG 361 H 0.16 0.40 -0.24 -0.55 8.46 8.23 2w02B1 ARG 361 HA 0.09 -0.01 0.52 -0.75 4.34 4.18 2w02B1 ARG 361 HB2 0.08 -0.00 0.15 -0.04 1.90 2.09 2w02B1 ARG 361 HB3 0.05 -0.07 -0.02 -0.04 1.80 1.72 2w02B1 ARG 361 HG2 0.02 -0.08 -0.22 -0.04 1.67 1.34 2w02B1 ARG 361 HG3 -0.04 0.22 -0.08 -0.04 1.67 1.73 2w02B1 ARG 361 HD2 -0.96 0.03 -0.16 -0.04 3.22 2.09 2w02B1 ARG 361 HD3 -0.21 -0.09 -0.10 -0.04 3.22 2.77 2w02B1 GLU 362 H -0.01 0.64 -0.06 -0.55 8.60 8.62 2w02B1 GLU 362 HA -0.08 0.23 0.57 -0.75 4.29 4.26 2w02B1 GLU 362 HB2 -0.02 -0.08 0.17 -0.04 2.09 2.12 2w02B1 GLU 362 HB3 -0.23 0.19 0.19 -0.04 1.99 2.10 2w02B1 GLU 362 HG2 -0.14 -0.01 -0.18 -0.04 2.34 1.97 2w02B1 GLU 362 HG3 -0.10 -0.04 -0.34 -0.04 2.34 1.83 2w02B1 GLN 363 H -0.33 0.34 -0.29 -0.55 8.47 7.65 2w02B1 GLN 363 HA -0.32 -0.01 0.34 -0.75 4.36 3.62 2w02B1 GLN 363 HB2 -0.48 0.10 0.10 -0.04 2.15 1.83 2w02B1 GLN 363 HB3 -0.40 -0.04 0.00 -0.04 2.02 1.54 2w02B1 GLN 363 HG2 -1.25 0.18 -0.01 -0.04 2.40 1.28 2w02B1 GLN 363 HG3 -2.68 -0.09 -0.10 -0.04 2.39 -0.52 2w02B1 GLN 363 HE21 -0.01 -0.04 -0.08 -0.04 6.97 6.80 2w02B1 GLN 363 HE22 -0.02 0.03 -0.02 -0.04 7.69 7.64 2w02B1 THR 364 H -0.15 0.46 0.01 -0.55 8.28 8.06 2w02B1 THR 364 HA -0.30 0.15 0.70 -0.75 4.39 4.18 2w02B1 THR 364 HB -0.06 -0.05 0.10 -0.04 4.32 4.28 2w02B1 THR 364 HG23 -0.19 -0.00 -0.06 -0.04 1.22 0.92 2w02B1 GLY 365 H -0.11 0.14 -0.43 -0.55 8.43 7.49 2w02B1 GLY 365 HA2 -0.04 0.11 0.65 -0.51 4.01 4.22 2w02B1 GLY 365 HA3 -0.05 0.01 0.39 -0.51 4.01 3.84 2w02B1 GLY 366 H -0.09 0.68 0.54 -0.55 8.43 9.01 2w02B1 GLY 366 HA2 0.04 0.23 1.02 -0.51 4.01 4.80 2w02B1 GLY 366 HA3 -0.27 -0.00 0.44 -0.51 4.01 3.67 2w02B1 ILE 367 H 0.29 0.93 0.39 -0.55 8.25 9.32 2w02B1 ILE 367 HA 0.27 0.18 1.07 -0.75 4.18 4.95 2w02B1 ILE 367 HB 0.11 -0.07 0.03 -0.04 1.89 1.92 2w02B1 ILE 367 HG12 0.07 0.02 -0.05 -0.04 1.49 1.50 2w02B1 ILE 367 HG13 0.09 0.02 -0.57 -0.04 1.21 0.71 2w02B1 ILE 367 HG23 0.04 -0.01 -0.20 -0.04 0.93 0.72 2w02B1 ILE 367 HD13 0.04 -0.02 -0.21 -0.04 0.88 0.66 2w02B1 LEU 368 H 0.03 0.58 0.18 -0.55 8.37 8.62 2w02B1 LEU 368 HA -0.16 0.30 0.96 -0.75 4.35 4.70 2w02B1 LEU 368 HB2 -0.36 -0.15 0.15 -0.04 1.64 1.25 2w02B1 LEU 368 HB3 -0.61 0.02 -0.04 -0.04 1.64 0.97 2w02B1 LEU 368 HG -1.21 -0.04 -0.14 -0.04 1.64 0.22 2w02B1 LEU 368 HD13 -0.94 0.01 -0.01 -0.04 0.93 -0.05 2w02B1 LEU 368 HD23 -0.88 0.00 -0.22 -0.04 0.89 -0.24 2w02B1 ARG 369 H 0.13 0.38 0.18 -0.55 8.46 8.60 2w02B1 ARG 369 HA 0.00 0.25 1.01 -0.75 4.34 4.85 2w02B1 ARG 369 HB2 -0.08 -0.03 -0.04 -0.04 1.90 1.70 2w02B1 ARG 369 HB3 0.07 -0.07 0.02 -0.04 1.80 1.78 2w02B1 ARG 369 HG2 0.13 0.16 -0.25 -0.04 1.67 1.67 2w02B1 ARG 369 HG3 -0.11 0.05 -0.09 -0.04 1.67 1.49 2w02B1 ARG 369 HD2 -0.56 -0.04 -0.09 -0.04 3.22 2.49 2w02B1 ARG 369 HD3 -0.18 -0.01 -0.06 -0.04 3.22 2.93 2w02B1 GLU 370 H 0.09 0.87 0.30 -0.55 8.60 9.32 2w02B1 GLU 370 HA 0.13 0.15 0.54 -0.75 4.29 4.35 2w02B1 GLU 370 HB2 0.09 0.04 0.17 -0.04 2.09 2.35 2w02B1 GLU 370 HB3 0.10 -0.17 0.26 -0.04 1.99 2.14 2w02B1 GLU 370 HG2 0.05 -0.07 -0.64 -0.04 2.34 1.64 2w02B1 GLU 370 HG3 -0.01 0.08 -0.03 -0.04 2.34 2.33 2w02B1 ASN 371 H -0.17 0.88 0.41 -0.55 8.53 9.10 2w02B1 ASN 371 HA -0.19 0.03 0.60 -0.75 4.76 4.45 2w02B1 ASN 371 HB2 -0.46 0.05 -0.28 -0.04 2.88 2.15 2w02B1 ASN 371 HB3 -0.34 0.11 0.06 -0.04 2.79 2.57 2w02B1 ASN 371 HD21 -0.35 -0.20 0.03 -0.04 7.03 6.47 2w02B1 ASN 371 HD22 -0.40 0.54 0.17 -0.04 7.74 8.00 2w02B1 PHE 372 H -0.11 0.37 0.13 -0.55 8.34 8.18 2w02B1 PHE 372 HA -0.03 0.09 0.16 -0.75 4.62 4.08 2w02B1 PHE 372 HB2 -0.04 0.03 -0.03 -0.04 3.15 3.06 2w02B1 PHE 372 HB3 -0.01 0.05 0.02 -0.04 3.06 3.08 2w02B1 PHE 372 HD2 -0.04 0.06 -0.16 -0.04 7.28 7.09 2w02B1 PHE 372 HE2 -0.34 0.02 -0.15 -0.04 7.38 6.87 2w02B1 PHE 372 HZ -0.11 0.02 -0.15 -0.04 7.32 7.03 2w02B1 CYS 373 H -0.49 0.12 -0.54 -0.55 8.50 7.04 2w02B1 CYS 373 HA -0.05 0.07 0.21 -0.75 4.58 4.06 2w02B1 CYS 373 HB2 -0.14 0.07 -0.02 -0.04 2.97 2.84 2w02B1 CYS 373 HB3 -0.07 -0.10 0.04 -0.04 2.97 2.80 2w02B1 ARG 374 H -0.11 0.51 -0.30 -0.55 8.46 8.00 2w02B1 ARG 374 HA -0.06 0.05 0.52 -0.75 4.34 4.10 2w02B1 ARG 374 HB2 -0.09 0.06 0.00 -0.04 1.90 1.83 2w02B1 ARG 374 HB3 -0.09 -0.00 0.07 -0.04 1.80 1.74 2w02B1 ARG 374 HG2 -0.14 -0.14 0.01 -0.04 1.67 1.36 2w02B1 ARG 374 HG3 -0.17 0.37 0.15 -0.04 1.67 1.98 2w02B1 ARG 374 HD2 -0.27 0.14 -0.01 -0.04 3.22 3.03 2w02B1 ARG 374 HD3 -0.20 0.01 0.02 -0.04 3.22 3.00 2w02B1 ARG 375 H -0.01 0.21 -0.21 -0.55 8.46 7.90 2w02B1 ARG 375 HA -0.01 0.13 0.62 -0.75 4.34 4.32 2w02B1 ARG 375 HB2 0.00 -0.04 0.02 -0.04 1.90 1.85 2w02B1 ARG 375 HB3 0.04 0.03 0.12 -0.04 1.80 1.94 2w02B1 ARG 375 HG2 0.02 0.02 -0.19 -0.04 1.67 1.48 2w02B1 ARG 375 HG3 0.00 0.01 0.03 -0.04 1.67 1.67 2w02B1 ARG 375 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 2w02B1 ARG 375 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2w02B1 THR 376 H 0.02 0.05 -0.12 -0.55 8.28 7.68 2w02B1 THR 376 HA 0.01 0.26 0.75 -0.75 4.39 4.65 2w02B1 THR 376 HB 0.03 0.03 -0.09 -0.04 4.32 4.25 2w02B1 THR 376 HG23 0.04 0.01 -0.18 -0.04 1.22 1.05 2w02B1 GLY 377 H -0.01 0.33 0.01 -0.55 8.43 8.21 2w02B1 GLY 377 HA2 -0.03 0.03 0.40 -0.51 4.01 3.90 2w02B1 GLY 377 HA3 -0.03 0.20 0.62 -0.51 4.01 4.28 2w02B1 ALA 378 H -0.06 0.22 0.19 -0.55 8.40 8.20 2w02B1 ALA 378 HA -0.12 0.02 0.45 -0.75 4.34 3.93 2w02B1 ALA 378 HB3 -0.29 -0.01 0.18 -0.04 1.41 1.25 2w02B1 GLU 379 H -0.12 0.08 -0.13 -0.55 8.60 7.88 2w02B1 GLU 379 HA -0.07 0.14 0.63 -0.75 4.29 4.24 2w02B1 GLU 379 HB2 0.10 0.22 0.24 -0.04 2.09 2.61 2w02B1 GLU 379 HB3 0.04 -0.13 0.14 -0.04 1.99 2.01 2w02B1 GLU 379 HG2 0.02 0.08 -0.20 -0.04 2.34 2.21 2w02B1 GLU 379 HG3 0.06 0.00 0.02 -0.04 2.34 2.39 2w02B1 ARG 380 H -0.08 0.50 -0.41 -0.55 8.46 7.92 2w02B1 ARG 380 HA -0.46 0.18 0.94 -0.75 4.34 4.24 2w02B1 ARG 380 HB2 -0.09 0.25 0.15 -0.04 1.90 2.17 2w02B1 ARG 380 HB3 -0.23 0.14 0.31 -0.04 1.80 1.97 2w02B1 ARG 380 HG2 -0.12 -0.01 0.01 -0.04 1.67 1.51 2w02B1 ARG 380 HG3 -0.07 -0.25 -0.07 -0.04 1.67 1.24 2w02B1 ARG 380 HD2 -0.04 -0.12 0.00 -0.04 3.22 3.02 2w02B1 ARG 380 HD3 -0.05 0.33 0.12 -0.04 3.22 3.58 2w02B1 SER 381 H 0.01 0.26 -0.21 -0.55 8.46 7.97 2w02B1 SER 381 HA 0.10 0.44 1.00 -0.75 4.49 5.28 2w02B1 SER 381 HB2 0.09 -0.10 -0.02 -0.04 3.95 3.88 2w02B1 SER 381 HB3 0.22 -0.09 -0.21 -0.04 3.93 3.81 2w02B1 ILE 382 H 0.14 0.74 0.20 -0.55 8.25 8.78 2w02B1 ILE 382 HA 0.06 0.11 0.90 -0.75 4.18 4.49 2w02B1 ILE 382 HB 0.01 -0.01 0.02 -0.04 1.89 1.87 2w02B1 ILE 382 HG12 0.01 0.03 -0.19 -0.04 1.49 1.30 2w02B1 ILE 382 HG13 0.17 -0.10 -0.75 -0.04 1.21 0.48 2w02B1 ILE 382 HG23 -0.19 0.02 -0.16 -0.04 0.93 0.56 2w02B1 ILE 382 HD13 -0.05 0.03 -0.10 -0.04 0.88 0.71 2w02B1 MET 383 H -0.05 0.13 0.14 -0.55 8.47 8.14 2w02B1 MET 383 HA 0.05 0.18 0.71 -0.75 4.52 4.70 2w02B1 MET 383 HB2 -0.05 -0.01 0.09 -0.04 2.15 2.14 2w02B1 MET 383 HB3 -0.12 -0.02 0.03 -0.04 2.03 1.88 2w02B1 MET 383 HG2 0.00 0.26 0.18 -0.04 2.63 3.03 2w02B1 MET 383 HG3 0.00 0.00 0.05 -0.04 2.56 2.57 2w02B1 MET 383 HE3 -0.13 0.04 -0.02 -0.04 2.10 1.94 2w02B1 ALA 384 H -0.00 0.80 0.37 -0.55 8.40 9.02 2w02B1 ALA 384 HA -0.14 0.03 0.22 -0.75 4.34 3.69 2w02B1 ALA 384 HB3 0.09 0.06 -0.01 -0.04 1.41 1.52 2w02B1 GLY 385 H -0.06 0.24 -0.21 -0.55 8.43 7.86 2w02B1 GLY 385 HA2 -0.02 0.11 0.36 -0.51 4.01 3.96 2w02B1 GLY 385 HA3 -0.06 0.01 0.13 -0.51 4.01 3.58 2w02B1 THR 386 H -0.14 0.22 -0.35 -0.55 8.28 7.46 2w02B1 THR 386 HA -0.15 0.08 0.46 -0.75 4.39 4.03 2w02B1 THR 386 HB -0.21 0.05 0.03 -0.04 4.32 4.15 2w02B1 THR 386 HG23 -0.29 0.01 -0.14 -0.04 1.22 0.76 2w02B1 LEU 387 H -0.25 0.29 -0.19 -0.55 8.37 7.67 2w02B1 LEU 387 HA -0.42 -0.02 0.10 -0.75 4.35 3.25 2w02B1 LEU 387 HB2 -0.37 -0.01 -0.07 -0.04 1.64 1.14 2w02B1 LEU 387 HB3 -0.88 0.16 0.07 -0.04 1.64 0.94 2w02B1 LEU 387 HG -1.00 -0.01 -0.09 -0.04 1.64 0.50 2w02B1 LEU 387 HD13 -0.53 -0.01 -0.05 -0.04 0.93 0.30 2w02B1 LEU 387 HD23 -0.22 -0.00 -0.07 -0.04 0.89 0.56 2w02B1 PHE 388 H -0.15 0.23 -0.78 -0.55 8.34 7.09 2w02B1 PHE 388 HA -0.08 0.07 0.79 -0.75 4.62 4.65 2w02B1 PHE 388 HB2 -0.07 0.04 -0.07 -0.04 3.15 3.01 2w02B1 PHE 388 HB3 -0.05 0.04 -0.03 -0.04 3.06 2.98 2w02B1 PHE 388 HD2 -0.12 0.03 -0.08 -0.04 7.28 7.06 2w02B1 PHE 388 HE2 -0.12 -0.02 -0.07 -0.04 7.38 7.13 2w02B1 PHE 388 HZ -0.83 -0.01 -0.07 -0.04 7.32 6.36 2w02B1 ALA 389 H -0.03 0.45 -0.30 -0.55 8.40 7.97 2w02B1 ALA 389 HA 0.10 0.09 0.60 -0.75 4.34 4.38 2w02B1 ALA 389 HB3 0.02 0.06 0.20 -0.04 1.41 1.64 2w02B1 ARG 390 H 0.24 0.12 0.16 -0.55 8.46 8.44 2w02B1 ARG 390 HA 0.15 0.14 0.68 -0.75 4.34 4.56 2w02B1 ARG 390 HB2 0.21 -0.00 0.00 -0.04 1.90 2.07 2w02B1 ARG 390 HB3 0.14 -0.13 -0.20 -0.04 1.80 1.57 2w02B1 ARG 390 HG2 0.12 -0.00 -0.07 -0.04 1.67 1.68 2w02B1 ARG 390 HG3 0.08 0.07 -0.13 -0.04 1.67 1.65 2w02B1 ARG 390 HD2 0.11 -0.08 -0.55 -0.04 3.22 2.66 2w02B1 ARG 390 HD3 0.12 0.05 -0.54 -0.04 3.22 2.81 2w02B1 GLY 391 H 0.19 0.43 0.19 -0.55 8.43 8.69 2w02B1 GLY 391 HA2 0.46 0.25 0.66 -0.51 4.01 4.86 2w02B1 GLY 391 HA3 0.22 0.03 0.42 -0.51 4.01 4.17 2w02B1 VAL 392 H 0.09 0.25 0.19 -0.55 8.24 8.23 2w02B1 VAL 392 HA -0.02 0.12 0.47 -0.75 4.13 3.95 2w02B1 VAL 392 HB -0.17 0.05 0.07 -0.04 2.12 2.02 2w02B1 VAL 392 HG13 -0.77 0.01 -0.09 -0.04 0.97 0.08 2w02B1 VAL 392 HG23 -0.09 0.02 0.00 -0.04 0.95 0.85 2w02B1 ASP 393 H 0.07 -0.01 -0.27 -0.55 8.40 7.65 2w02B1 ASP 393 HA 0.01 0.23 0.71 -0.75 4.63 4.83 2w02B1 ASP 393 HB2 0.01 0.05 0.12 -0.04 2.71 2.86 2w02B1 ASP 393 HB3 0.01 0.03 0.04 -0.04 2.70 2.74 2w02B1 LEU 394 H 0.14 0.49 -0.53 -0.55 8.37 7.93 2w02B1 LEU 394 HA 0.04 0.07 0.22 -0.75 4.35 3.93 2w02B1 LEU 394 HB2 -0.03 0.09 -0.20 -0.04 1.64 1.45 2w02B1 LEU 394 HB3 -0.05 -0.01 0.21 -0.04 1.64 1.74 2w02B1 LEU 394 HG -0.10 0.03 -0.08 -0.04 1.64 1.44 2w02B1 LEU 394 HD13 -0.20 0.02 0.04 -0.04 0.93 0.75 2w02B1 LEU 394 HD23 -0.63 0.01 0.01 -0.04 0.89 0.23 2w02B1 GLN 395 H 0.08 -0.11 -0.49 -0.55 8.47 7.40 2w02B1 GLN 395 HA 0.02 0.26 0.78 -0.75 4.36 4.66 2w02B1 GLN 395 HB2 0.03 -0.17 -0.07 -0.04 2.15 1.91 2w02B1 GLN 395 HB3 0.01 0.07 -0.02 -0.04 2.02 2.03 2w02B1 GLN 395 HG2 0.01 0.23 -0.20 -0.04 2.40 2.40 2w02B1 GLN 395 HG3 -0.00 -0.07 -0.04 -0.04 2.39 2.24 2w02B1 GLN 395 HE21 -0.03 -0.04 0.01 -0.04 6.97 6.87 2w02B1 GLN 395 HE22 -0.00 0.10 -0.10 -0.04 7.69 7.65 2w02B1 PRO 396 HA 0.07 0.28 0.58 -0.51 4.44 4.87 2w02B1 PRO 396 HB2 0.01 -0.09 0.14 -0.04 2.28 2.30 2w02B1 PRO 396 HB3 0.06 0.09 0.11 -0.04 2.02 2.24 2w02B1 PRO 396 HG2 0.00 0.08 0.16 -0.04 2.03 2.23 2w02B1 PRO 396 HG3 0.12 0.10 0.08 -0.04 2.03 2.29 2w02B1 PRO 396 HD2 -0.02 0.06 0.20 -0.04 3.68 3.88 2w02B1 PRO 396 HD3 0.01 0.22 0.18 -0.04 3.65 4.01 2w02B1 MET 397 H 0.03 0.58 0.23 -0.55 8.47 8.76 2w02B1 MET 397 HA 0.04 -0.03 0.19 -0.75 4.52 3.97 2w02B1 MET 397 HB2 -0.04 0.21 0.01 -0.04 2.15 2.29 2w02B1 MET 397 HB3 0.00 -0.09 0.00 -0.04 2.03 1.90 2w02B1 MET 397 HG2 0.10 -0.08 -0.11 -0.04 2.63 2.50 2w02B1 MET 397 HG3 0.10 0.01 -0.10 -0.04 2.56 2.53 2w02B1 MET 397 HE3 -0.08 0.02 -0.19 -0.04 2.10 1.81 2w02B1 ILE 398 H -0.04 0.24 -0.17 -0.55 8.25 7.73 2w02B1 ILE 398 HA -0.08 0.03 0.36 -0.75 4.18 3.74 2w02B1 ILE 398 HB -0.17 0.40 0.16 -0.04 1.89 2.24 2w02B1 ILE 398 HG12 -0.38 0.01 -0.06 -0.04 1.49 1.01 2w02B1 ILE 398 HG13 -0.31 -0.13 0.06 -0.04 1.21 0.79 2w02B1 ILE 398 HG23 -0.03 -0.01 -0.21 -0.04 0.93 0.64 2w02B1 ILE 398 HD13 -0.53 0.01 -0.02 -0.04 0.88 0.31 2w02B1 GLN 399 H -0.02 0.34 -0.43 -0.55 8.47 7.81 2w02B1 GLN 399 HA -0.09 0.09 0.44 -0.75 4.36 4.04 2w02B1 GLN 399 HB2 -0.02 0.06 0.08 -0.04 2.15 2.23 2w02B1 GLN 399 HB3 -0.04 -0.04 0.00 -0.04 2.02 1.90 2w02B1 GLN 399 HG2 -0.04 -0.02 0.01 -0.04 2.40 2.31 2w02B1 GLN 399 HG3 -0.04 0.01 0.04 -0.04 2.39 2.35 2w02B1 GLN 399 HE21 -0.06 0.29 -0.08 -0.04 6.97 7.07 2w02B1 GLN 399 HE22 -0.04 0.36 0.09 -0.04 7.69 8.05 2w02B1 THR 400 H 0.02 0.28 -0.09 -0.55 8.28 7.94 2w02B1 THR 400 HA -0.01 0.08 0.49 -0.75 4.39 4.20 2w02B1 THR 400 HB 0.02 -0.02 -0.01 -0.04 4.32 4.27 2w02B1 THR 400 HG23 0.01 0.00 -0.02 -0.04 1.22 1.17 2w02B1 PHE 401 H 0.15 0.42 -0.16 -0.55 8.34 8.20 2w02B1 PHE 401 HA 0.00 0.02 0.39 -0.75 4.62 4.28 2w02B1 PHE 401 HB2 -0.03 0.03 0.01 -0.04 3.15 3.12 2w02B1 PHE 401 HB3 -0.10 0.03 0.12 -0.04 3.06 3.08 2w02B1 PHE 401 HD2 -0.05 0.00 -0.11 -0.04 7.28 7.08 2w02B1 PHE 401 HE2 0.02 0.09 -0.10 -0.04 7.38 7.35 2w02B1 PHE 401 HZ -1.04 -0.03 -0.12 -0.04 7.32 6.09 2w02B1 LEU 402 H 0.02 0.64 -0.10 -0.55 8.37 8.38 2w02B1 LEU 402 HA -0.13 0.06 0.41 -0.75 4.35 3.94 2w02B1 LEU 402 HB2 -0.27 0.05 0.12 -0.04 1.64 1.50 2w02B1 LEU 402 HB3 -0.53 -0.05 0.03 -0.04 1.64 1.04 2w02B1 LEU 402 HG -0.23 0.20 0.13 -0.04 1.64 1.69 2w02B1 LEU 402 HD13 -0.80 -0.02 -0.02 -0.04 0.93 0.05 2w02B1 LEU 402 HD23 -0.62 -0.01 -0.02 -0.04 0.89 0.19 2w02B1 ARG 403 H -0.07 0.36 -0.31 -0.55 8.46 7.88 2w02B1 ARG 403 HA -0.02 0.12 0.40 -0.75 4.34 4.08 2w02B1 ARG 403 HB2 -0.05 0.16 0.16 -0.04 1.90 2.13 2w02B1 ARG 403 HB3 -0.03 0.09 0.08 -0.04 1.80 1.90 2w02B1 ARG 403 HG2 -0.02 -0.00 -0.25 -0.04 1.67 1.35 2w02B1 ARG 403 HG3 -0.02 0.01 -0.39 -0.04 1.67 1.24 2w02B1 ARG 403 HD2 -0.02 -0.00 -0.06 -0.04 3.22 3.09 2w02B1 ARG 403 HD3 -0.02 -0.09 -0.09 -0.04 3.22 2.97 2w02B1 THR 404 H -0.09 0.57 -0.17 -0.55 8.28 8.04 2w02B1 THR 404 HA -0.08 -0.01 0.40 -0.75 4.39 3.95 2w02B1 THR 404 HB -0.23 -0.04 -0.00 -0.04 4.32 4.00 2w02B1 THR 404 HG23 -0.07 -0.00 0.01 -0.04 1.22 1.12 2w02B1 HIS 405 H -0.07 0.29 -0.44 -0.55 8.41 7.64 2w02B1 HIS 405 HA -0.06 0.04 0.36 -0.75 4.63 4.22 2w02B1 HIS 405 HB2 -0.07 0.05 0.08 -0.04 3.26 3.28 2w02B1 HIS 405 HB3 -0.01 0.20 -0.18 -0.04 3.20 3.18 2w02B1 HIS 405 HD2 -1.69 0.14 -0.12 -0.04 6.97 5.25 2w02B1 HIS 405 HE1 0.10 -0.01 -0.03 -0.04 7.75 7.76 2w02B1 TYR 406 H 0.33 0.53 0.02 -0.55 8.29 8.63 2w02B1 TYR 406 HA 0.04 0.10 0.66 -0.75 4.56 4.61 2w02B1 TYR 406 HB2 0.00 0.10 0.11 -0.04 3.06 3.24 2w02B1 TYR 406 HB3 0.02 -0.10 0.04 -0.04 2.98 2.90 2w02B1 TYR 406 HD2 0.05 -0.01 0.00 -0.04 7.15 7.16 2w02B1 TYR 406 HE2 0.19 -0.04 -0.06 -0.04 6.85 6.91 2w02B1 GLY 407 H 0.08 0.50 -0.13 -0.55 8.43 8.33 2w02B1 GLY 407 HA2 0.01 0.04 0.25 -0.51 4.01 3.79 2w02B1 GLY 407 HA3 0.02 0.08 0.55 -0.51 4.01 4.16 2w02B1 GLU 408 H 0.07 0.31 -0.05 -0.55 8.60 8.39 2w02B1 GLU 408 HA 0.01 0.05 0.55 -0.75 4.29 4.15 2w02B1 GLU 408 HB2 0.02 -0.07 0.08 -0.04 2.09 2.07 2w02B1 GLU 408 HB3 0.03 0.09 -0.32 -0.04 1.99 1.74 2w02B1 GLU 408 HG2 0.07 -0.06 -0.30 -0.04 2.34 2.01 2w02B1 GLU 408 HG3 0.03 0.22 -0.26 -0.04 2.34 2.29 2w02B1 ALA 409 H -0.00 0.09 0.10 -0.55 8.40 8.04 2w02B1 ALA 409 HA -0.03 0.06 0.54 -0.75 4.34 4.16 2w02B1 ALA 409 HB3 -0.02 0.01 0.06 -0.04 1.41 1.42 2w02B1 LEU 410 H -0.06 0.14 0.16 -0.55 8.37 8.07 2w02B1 LEU 410 HA -0.03 0.05 0.59 -0.75 4.35 4.20 2w02B1 LEU 410 HB2 -0.13 0.02 0.14 -0.04 1.64 1.63 2w02B1 LEU 410 HB3 -0.11 -0.00 -0.03 -0.04 1.64 1.46 2w02B1 LEU 410 HG -0.26 -0.01 -0.05 -0.04 1.64 1.28 2w02B1 LEU 410 HD13 -0.21 0.07 -0.17 -0.04 0.93 0.58 2w02B1 LEU 410 HD23 -0.54 0.01 -0.12 -0.04 0.89 0.19 2w02B1 ASP 411 H -0.00 0.09 0.17 -0.55 8.40 8.11 2w02B1 ASP 411 HA -0.01 0.24 0.69 -0.75 4.63 4.81 2w02B1 ASP 411 HB2 0.01 -0.07 0.20 -0.04 2.71 2.80 2w02B1 ASP 411 HB3 0.00 0.14 0.10 -0.04 2.70 2.90 2w02B1 ASP 412 H 0.01 0.18 0.15 -0.55 8.40 8.19 2w02B1 ASP 412 HA 0.01 0.17 0.37 -0.75 4.63 4.43 2w02B1 ASP 412 HB2 0.02 -0.04 0.15 -0.04 2.71 2.79 2w02B1 ASP 412 HB3 0.02 0.05 0.02 -0.04 2.70 2.75 2w02B1 ASN 413 H 0.03 0.09 -0.10 -0.55 8.53 8.00 2w02B1 ASN 413 HA 0.09 0.12 0.43 -0.75 4.76 4.64 2w02B1 ASN 413 HB2 0.03 -0.03 0.05 -0.04 2.88 2.89 2w02B1 ASN 413 HB3 0.05 0.07 -0.02 -0.04 2.79 2.85 2w02B1 ASN 413 HD21 0.03 0.03 0.00 -0.04 7.03 7.05 2w02B1 ASN 413 HD22 0.03 0.03 -0.00 -0.04 7.74 7.76 2w02B1 ALA 414 H 0.04 0.06 -0.28 -0.55 8.40 7.68 2w02B1 ALA 414 HA 0.13 0.11 0.46 -0.75 4.34 4.28 2w02B1 ALA 414 HB3 0.02 0.03 0.07 -0.04 1.41 1.50 2w02B1 LEU 415 H 0.04 0.47 -0.16 -0.55 8.37 8.18 2w02B1 LEU 415 HA 0.07 0.06 0.46 -0.75 4.35 4.18 2w02B1 LEU 415 HB2 0.02 0.05 0.11 -0.04 1.64 1.77 2w02B1 LEU 415 HB3 0.01 0.03 -0.03 -0.04 1.64 1.60 2w02B1 LEU 415 HG -0.07 -0.07 -0.06 -0.04 1.64 1.40 2w02B1 LEU 415 HD13 -0.04 0.02 -0.05 -0.04 0.93 0.82 2w02B1 LEU 415 HD23 -0.14 0.01 0.04 -0.04 0.89 0.75 2w02B1 LEU 416 H 0.12 0.50 -0.13 -0.55 8.37 8.32 2w02B1 LEU 416 HA 0.18 0.04 0.43 -0.75 4.35 4.25 2w02B1 LEU 416 HB2 0.14 0.01 0.16 -0.04 1.64 1.90 2w02B1 LEU 416 HB3 0.13 -0.02 -0.00 -0.04 1.64 1.71 2w02B1 LEU 416 HG 0.05 0.15 0.09 -0.04 1.64 1.89 2w02B1 LEU 416 HD13 0.05 -0.05 -0.12 -0.04 0.93 0.78 2w02B1 LEU 416 HD23 0.02 -0.00 -0.04 -0.04 0.89 0.82 2w02B1 TYR 417 H 0.32 0.55 -0.21 -0.55 8.29 8.39 2w02B1 TYR 417 HA 0.11 0.00 0.42 -0.75 4.56 4.34 2w02B1 TYR 417 HB2 0.12 0.24 0.21 -0.04 3.06 3.58 2w02B1 TYR 417 HB3 0.18 0.08 0.10 -0.04 2.98 3.30 2w02B1 TYR 417 HD2 0.11 0.01 -0.06 -0.04 7.15 7.17 2w02B1 TYR 417 HE2 0.05 0.00 -0.02 -0.04 6.85 6.84 2w02B1 TRP 418 H 0.47 0.54 -0.14 -0.55 7.97 8.29 2w02B1 TRP 418 HA 0.19 0.05 0.48 -0.75 4.62 4.58 2w02B1 TRP 418 HB2 0.08 0.08 0.15 -0.04 3.23 3.49 2w02B1 TRP 418 HB3 0.11 0.07 0.13 -0.04 3.23 3.50 2w02B1 TRP 418 HD1 0.30 -0.03 -0.02 -0.04 7.22 7.44 2w02B1 TRP 418 HE1 0.22 0.53 0.11 -0.04 10.20 11.01 2w02B1 TRP 418 HE3 0.19 0.04 -0.39 -0.04 7.59 7.39 2w02B1 TRP 418 HZ2 0.14 0.01 -0.04 -0.04 7.44 7.51 2w02B1 TRP 418 HZ3 0.11 -0.02 -0.07 -0.04 7.13 7.11 2w02B1 TRP 418 HH2 -0.00 -0.02 -0.06 -0.04 7.19 7.06 2w02B1 PHE 419 H 0.54 0.55 -0.17 -0.55 8.34 8.71 2w02B1 PHE 419 HA 0.36 0.01 0.40 -0.75 4.62 4.64 2w02B1 PHE 419 HB2 0.19 0.05 0.08 -0.04 3.15 3.42 2w02B1 PHE 419 HB3 0.11 0.11 0.13 -0.04 3.06 3.37 2w02B1 PHE 419 HD2 0.02 0.04 -0.09 -0.04 7.28 7.21 2w02B1 PHE 419 HE2 -0.12 0.07 -0.03 -0.04 7.38 7.26 2w02B1 PHE 419 HZ -0.22 -0.00 -0.06 -0.04 7.32 7.00 2w02B1 ASP 420 H 0.12 0.49 -0.25 -0.55 8.40 8.21 2w02B1 ASP 420 HA -0.19 -0.03 0.37 -0.75 4.63 4.02 2w02B1 ASP 420 HB2 0.01 0.16 0.17 -0.04 2.71 3.01 2w02B1 ASP 420 HB3 -0.19 0.12 0.10 -0.04 2.70 2.69 2w02B1 ASP 421 H -0.20 0.40 -0.26 -0.55 8.40 7.80 2w02B1 ASP 421 HA -0.22 0.02 0.42 -0.75 4.63 4.09 2w02B1 ASP 421 HB2 -0.34 0.14 0.20 -0.04 2.71 2.67 2w02B1 ASP 421 HB3 -0.27 0.02 -0.00 -0.04 2.70 2.41 2w02B1 TYR 422 H -0.35 0.43 -0.14 -0.55 8.29 7.68 2w02B1 TYR 422 HA -0.34 0.04 0.47 -0.75 4.56 3.96 2w02B1 TYR 422 HB2 -0.85 0.06 0.09 -0.04 3.06 2.32 2w02B1 TYR 422 HB3 -0.32 0.06 0.15 -0.04 2.98 2.83 2w02B1 TYR 422 HD2 -0.15 0.02 -0.19 -0.04 7.15 6.78 2w02B1 TYR 422 HE2 0.25 -0.03 -0.10 -0.04 6.85 6.93 2w02B1 GLN 423 H -0.47 0.79 0.05 -0.55 8.47 8.30 2w02B1 GLN 423 HA -0.17 -0.01 0.32 -0.75 4.36 3.75 2w02B1 GLN 423 HB2 -0.21 -0.06 0.00 -0.04 2.15 1.85 2w02B1 GLN 423 HB3 -0.87 -0.01 0.08 -0.04 2.02 1.19 2w02B1 GLN 423 HG2 -0.87 0.14 0.00 -0.04 2.40 1.63 2w02B1 GLN 423 HG3 -0.33 -0.07 0.15 -0.04 2.39 2.10 2w02B1 GLN 423 HE21 -0.02 0.12 -0.14 -0.04 6.97 6.89 2w02B1 GLN 423 HE22 -0.12 -0.01 0.05 -0.04 7.69 7.57 2w02B1 THR 424 H -0.24 0.48 -0.24 -0.55 8.28 7.73 2w02B1 THR 424 HA -0.11 -0.06 0.34 -0.75 4.39 3.80 2w02B1 THR 424 HB -0.18 0.19 0.12 -0.04 4.32 4.40 2w02B1 THR 424 HG23 -0.10 -0.01 -0.12 -0.04 1.22 0.94 2w02B1 ARG 425 H -0.26 0.42 -0.31 -0.55 8.46 7.76 2w02B1 ARG 425 HA -0.14 0.08 0.26 -0.75 4.34 3.79 2w02B1 ARG 425 HB2 -0.31 0.11 0.06 -0.04 1.90 1.72 2w02B1 ARG 425 HB3 -0.20 -0.22 0.08 -0.04 1.80 1.42 2w02B1 ARG 425 HG2 -0.12 0.02 0.04 -0.04 1.67 1.56 2w02B1 ARG 425 HG3 -0.15 -0.08 -0.01 -0.04 1.67 1.38 2w02B1 ARG 425 HD2 -0.21 0.26 -0.11 -0.04 3.22 3.11 2w02B1 ARG 425 HD3 -0.16 -0.18 -0.46 -0.04 3.22 2.37 2w02B1 LEU 426 H -0.29 0.40 -0.35 -0.55 8.37 7.58 2w02B1 LEU 426 HA -0.20 0.11 0.85 -0.75 4.35 4.36 2w02B1 LEU 426 HB2 -0.41 -0.03 0.04 -0.04 1.64 1.20 2w02B1 LEU 426 HB3 -0.26 0.10 0.18 -0.04 1.64 1.61 2w02B1 LEU 426 HG -0.26 -0.05 -0.23 -0.04 1.64 1.06 2w02B1 LEU 426 HD13 -0.17 0.01 0.01 -0.04 0.93 0.73 2w02B1 LEU 426 HD23 -0.62 -0.01 -0.02 -0.04 0.89 0.20 2w02B1 LEU 427 H -0.12 0.62 0.13 -0.55 8.37 8.46 2w02B1 LEU 427 HA -0.04 -0.02 0.33 -0.75 4.35 3.87 2w02B1 LEU 427 HB2 0.00 0.07 0.05 -0.04 1.64 1.72 2w02B1 LEU 427 HB3 0.10 -0.06 -0.05 -0.04 1.64 1.58 2w02B1 LEU 427 HG -0.03 0.11 0.03 -0.04 1.64 1.71 2w02B1 LEU 427 HD13 0.20 -0.02 -0.08 -0.04 0.93 0.99 2w02B1 LEU 427 HD23 -0.06 -0.02 -0.06 -0.04 0.89 0.72 2w02B1 ARG 428 H -0.03 0.51 0.03 -0.55 8.46 8.42 2w02B1 ARG 428 HA 0.04 -0.06 0.48 -0.75 4.34 4.05 2w02B1 ARG 428 HB2 -0.04 0.20 0.12 -0.04 1.90 2.14 2w02B1 ARG 428 HB3 -0.00 0.04 0.01 -0.04 1.80 1.81 2w02B1 ARG 428 HG2 0.00 -0.11 0.04 -0.04 1.67 1.56 2w02B1 ARG 428 HG3 -0.03 0.08 0.13 -0.04 1.67 1.81 2w02B1 ARG 428 HD2 -0.04 -0.08 -0.02 -0.04 3.22 3.05 2w02B1 ARG 428 HD3 -0.04 0.07 -0.04 -0.04 3.22 3.16 2w02B1 PRO 429 HA 0.05 0.22 0.48 -0.51 4.44 4.67 2w02B1 PRO 429 HB2 -0.00 -0.01 0.07 -0.04 2.28 2.30 2w02B1 PRO 429 HB3 0.02 -0.10 0.02 -0.04 2.02 1.92 2w02B1 PRO 429 HG2 -0.06 0.22 0.14 -0.04 2.03 2.29 2w02B1 PRO 429 HG3 -0.03 0.06 -0.20 -0.04 2.03 1.83 2w02B1 PRO 429 HD2 -0.06 0.15 -0.52 -0.04 3.68 3.22 2w02B1 PRO 429 HD3 -0.05 0.14 -0.04 -0.04 3.65 3.66 2w02B1 VAL 430 H 0.02 0.50 -0.10 -0.55 8.24 8.11 2w02B1 VAL 430 HA 0.09 -0.02 0.29 -0.75 4.13 3.73 2w02B1 VAL 430 HB 0.02 0.10 0.13 -0.04 2.12 2.32 2w02B1 VAL 430 HG13 0.02 -0.04 -0.10 -0.04 0.97 0.81 2w02B1 VAL 430 HG23 -0.04 0.05 0.07 -0.04 0.95 0.98 2w02B1 LEU 431 H 0.15 0.78 -0.12 -0.55 8.37 8.63 2w02B1 LEU 431 HA 0.47 -0.04 0.42 -0.75 4.35 4.44 2w02B1 LEU 431 HB2 0.23 0.15 0.01 -0.04 1.64 1.99 2w02B1 LEU 431 HB3 0.46 -0.10 0.07 -0.04 1.64 2.03 2w02B1 LEU 431 HG 0.20 0.21 0.12 -0.04 1.64 2.14 2w02B1 LEU 431 HD13 0.30 -0.02 -0.06 -0.04 0.93 1.11 2w02B1 LEU 431 HD23 0.55 -0.04 -0.07 -0.04 0.89 1.29 2w02B1 SER 432 H 0.17 0.39 -0.44 -0.55 8.46 8.03 2w02B1 SER 432 HA 0.16 0.02 0.58 -0.75 4.49 4.49 2w02B1 SER 432 HB2 0.11 0.21 0.12 -0.04 3.95 4.34 2w02B1 SER 432 HB3 0.12 0.08 -0.01 -0.04 3.93 4.08 2w02B1 LEU 433 H 0.15 0.66 0.03 -0.55 8.37 8.67 2w02B1 LEU 433 HA 0.17 0.01 0.42 -0.75 4.35 4.19 2w02B1 LEU 433 HB2 0.14 0.14 0.17 -0.04 1.64 2.06 2w02B1 LEU 433 HB3 0.08 -0.05 -0.01 -0.04 1.64 1.63 2w02B1 LEU 433 HG 0.09 0.13 0.07 -0.04 1.64 1.88 2w02B1 LEU 433 HD13 0.21 -0.03 -0.13 -0.04 0.93 0.94 2w02B1 LEU 433 HD23 -0.14 -0.03 -0.04 -0.04 0.89 0.64 2w02B1 PHE 434 H 0.28 0.44 -0.18 -0.55 8.34 8.32 2w02B1 PHE 434 HA -0.01 0.17 0.21 -0.75 4.62 4.24 2w02B1 PHE 434 HB2 0.04 0.10 0.14 -0.04 3.15 3.39 2w02B1 PHE 434 HB3 -0.09 -0.02 0.14 -0.04 3.06 3.05 2w02B1 PHE 434 HD2 -1.08 0.08 -0.14 -0.04 7.28 6.10 2w02B1 PHE 434 HE2 -0.33 -0.07 -0.08 -0.04 7.38 6.86 2w02B1 PHE 434 HZ 0.05 0.02 -0.00 -0.04 7.32 7.34 2w02B1 PHE 435 H 0.27 0.45 -0.14 -0.55 8.34 8.37 2w02B1 PHE 435 HA -0.28 -0.00 0.33 -0.75 4.62 3.91 2w02B1 PHE 435 HB2 0.03 0.25 0.17 -0.04 3.15 3.56 2w02B1 PHE 435 HB3 -0.06 0.05 -0.02 -0.04 3.06 2.99 2w02B1 PHE 435 HD2 0.07 0.25 0.13 -0.04 7.28 7.68 2w02B1 PHE 435 HE2 0.04 -0.09 -0.01 -0.04 7.38 7.29 2w02B1 PHE 435 HZ -1.29 -0.06 -0.08 -0.04 7.32 5.85 2w02B1 ASN 436 H 0.08 0.54 -0.05 -0.55 8.53 8.56 2w02B1 ASN 436 HA -0.15 0.05 0.83 -0.75 4.76 4.74 2w02B1 ASN 436 HB2 -0.00 0.52 0.22 -0.04 2.88 3.58 2w02B1 ASN 436 HB3 -0.48 -0.06 0.05 -0.04 2.79 2.26 2w02B1 ASN 436 HD21 -0.00 -0.06 0.13 -0.04 7.03 7.06 2w02B1 ASN 436 HD22 0.02 0.41 0.20 -0.04 7.74 8.32 2w02B1 HIS 437 H 0.00 0.28 -0.21 -0.55 8.41 7.94 2w02B1 HIS 437 HA 0.06 0.24 1.00 -0.75 4.63 5.19 2w02B1 HIS 437 HB2 -0.08 0.06 0.11 -0.04 3.26 3.31 2w02B1 HIS 437 HB3 -0.04 -0.06 0.10 -0.04 3.20 3.15 2w02B1 HIS 437 HD2 -0.02 0.07 -0.19 -0.04 6.97 6.78 2w02B1 HIS 437 HE1 -0.39 -0.05 -0.03 -0.04 7.75 7.23 2w02B1 GLY 438 H -0.13 0.49 0.06 -0.55 8.43 8.31 2w02B1 GLY 438 HA2 -0.23 0.04 0.44 -0.51 4.01 3.75 2w02B1 GLY 438 HA3 -0.02 -0.22 0.83 -0.51 4.01 4.09 2w02B1 VAL 439 H 0.04 0.31 -0.25 -0.55 8.24 7.79 2w02B1 VAL 439 HA -0.00 0.12 0.49 -0.75 4.13 3.98 2w02B1 VAL 439 HB -0.03 -0.06 0.02 -0.04 2.12 2.01 2w02B1 VAL 439 HG13 0.04 -0.02 -0.28 -0.04 0.97 0.67 2w02B1 VAL 439 HG23 -0.37 0.00 -0.08 -0.04 0.95 0.47 2w02B1 VAL 440 H 0.10 0.90 0.40 -0.55 8.24 9.09 2w02B1 VAL 440 HA 0.27 0.08 0.91 -0.75 4.13 4.63 2w02B1 VAL 440 HB 0.07 -0.08 0.18 -0.04 2.12 2.25 2w02B1 VAL 440 HG13 0.12 0.05 0.00 -0.04 0.97 1.10 2w02B1 VAL 440 HG23 0.41 0.00 -0.08 -0.04 0.95 1.24 2w02B1 MET 441 H 0.11 0.16 0.02 -0.55 8.47 8.21 2w02B1 MET 441 HA 0.07 0.12 0.63 -0.75 4.52 4.59 2w02B1 MET 441 HB2 0.03 -0.01 0.01 -0.04 2.15 2.14 2w02B1 MET 441 HB3 0.02 -0.05 0.00 -0.04 2.03 1.96 2w02B1 MET 441 HG2 0.13 0.05 -0.06 -0.04 2.63 2.71 2w02B1 MET 441 HG3 0.08 0.02 -0.07 -0.04 2.56 2.55 2w02B1 MET 441 HE3 0.04 -0.00 -0.19 -0.04 2.10 1.90 2w02B1 GLU 442 H -0.02 0.18 -0.06 -0.55 8.60 8.14 2w02B1 GLU 442 HA -0.01 0.17 0.60 -0.75 4.29 4.31 2w02B1 GLU 442 HB2 0.01 0.25 -0.02 -0.04 2.09 2.28 2w02B1 GLU 442 HB3 -0.08 -0.04 0.22 -0.04 1.99 2.04 2w02B1 GLU 442 HG2 0.09 -0.14 -0.01 -0.04 2.34 2.24 2w02B1 GLU 442 HG3 0.11 0.06 0.05 -0.04 2.34 2.51 2w02B1 PRO 443 HA -0.12 0.17 0.40 -0.51 4.44 4.37 2w02B1 PRO 443 HB2 -0.07 0.07 0.12 -0.04 2.28 2.36 2w02B1 PRO 443 HB3 -0.06 0.01 0.01 -0.04 2.02 1.94 2w02B1 PRO 443 HG2 -0.13 0.01 -0.14 -0.04 2.03 1.73 2w02B1 PRO 443 HG3 -0.10 0.03 -0.03 -0.04 2.03 1.89 2w02B1 PRO 443 HD2 -0.07 0.10 -0.10 -0.04 3.68 3.56 2w02B1 PRO 443 HD3 -0.05 0.10 -0.36 -0.04 3.65 3.30 2w02B1 HIS 444 H -0.33 0.27 -0.32 -0.55 8.41 7.49 2w02B1 HIS 444 HA -0.00 0.25 0.61 -0.75 4.63 4.73 2w02B1 HIS 444 HB2 -0.09 -0.13 0.16 -0.04 3.26 3.16 2w02B1 HIS 444 HB3 -0.05 0.07 0.08 -0.04 3.20 3.26 2w02B1 HIS 444 HD2 0.06 0.05 0.00 -0.04 6.97 7.03 2w02B1 HIS 444 HE1 -0.02 0.01 -0.11 -0.04 7.75 7.58 2w02B1 LEU 445 H 0.03 0.21 0.06 -0.55 8.37 8.12 2w02B1 LEU 445 HA -0.26 0.14 0.19 -0.75 4.35 3.67 2w02B1 LEU 445 HB2 -0.10 -0.00 0.10 -0.04 1.64 1.60 2w02B1 LEU 445 HB3 -0.07 -0.13 -0.06 -0.04 1.64 1.34 2w02B1 LEU 445 HG -0.18 0.03 -0.02 -0.04 1.64 1.43 2w02B1 LEU 445 HD13 -0.04 0.02 0.06 -0.04 0.93 0.93 2w02B1 LEU 445 HD23 -0.13 0.02 -0.20 -0.04 0.89 0.55 2w02B1 GLN 446 H 0.39 0.08 -0.25 -0.55 8.47 8.14 2w02B1 GLN 446 HA 0.03 0.06 0.47 -0.75 4.36 4.16 2w02B1 GLN 446 HB2 -0.03 0.01 0.01 -0.04 2.15 2.10 2w02B1 GLN 446 HB3 0.20 0.05 -0.01 -0.04 2.02 2.22 2w02B1 GLN 446 HG2 0.00 -0.05 0.05 -0.04 2.40 2.36 2w02B1 GLN 446 HG3 -0.01 0.06 -0.07 -0.04 2.39 2.33 2w02B1 GLN 446 HE21 0.01 -0.00 -0.06 -0.04 6.97 6.88 2w02B1 GLN 446 HE22 0.01 -0.12 -0.02 -0.04 7.69 7.52 2w02B1 ASN 447 H 0.01 0.16 -0.35 -0.55 8.53 7.80 2w02B1 ASN 447 HA -0.08 0.08 0.67 -0.75 4.76 4.67 2w02B1 ASN 447 HB2 -0.40 0.02 0.18 -0.04 2.88 2.64 2w02B1 ASN 447 HB3 -0.18 -0.03 0.27 -0.04 2.79 2.82 2w02B1 ASN 447 HD21 -0.20 -0.13 0.12 -0.04 7.03 6.77 2w02B1 ASN 447 HD22 -0.39 0.77 0.33 -0.04 7.74 8.41 2w02B1 SER 448 H 0.00 0.18 -0.63 -0.55 8.46 7.46 2w02B1 SER 448 HA -0.03 0.40 0.93 -0.75 4.49 5.04 2w02B1 SER 448 HB2 0.08 -0.02 0.01 -0.04 3.95 3.98 2w02B1 SER 448 HB3 0.20 -0.03 -0.08 -0.04 3.93 3.98 2w02B1 VAL 449 H -0.07 0.64 0.16 -0.55 8.24 8.42 2w02B1 VAL 449 HA 0.03 0.08 0.99 -0.75 4.13 4.48 2w02B1 VAL 449 HB -0.30 -0.03 -0.05 -0.04 2.12 1.69 2w02B1 VAL 449 HG13 0.05 -0.02 -0.44 -0.04 0.97 0.51 2w02B1 VAL 449 HG23 -0.01 -0.03 -0.35 -0.04 0.95 0.52 2w02B1 LEU 450 H 0.07 0.44 0.23 -0.55 8.37 8.57 2w02B1 LEU 450 HA 0.05 0.19 1.00 -0.75 4.35 4.83 2w02B1 LEU 450 HB2 0.29 -0.03 0.06 -0.04 1.64 1.93 2w02B1 LEU 450 HB3 0.14 -0.03 0.10 -0.04 1.64 1.81 2w02B1 LEU 450 HG 0.22 -0.00 -0.63 -0.04 1.64 1.19 2w02B1 LEU 450 HD13 0.09 0.03 -0.01 -0.04 0.93 1.00 2w02B1 LEU 450 HD23 0.36 -0.00 -0.16 -0.04 0.89 1.05 2w02B1 VAL 451 H 0.01 0.72 0.46 -0.55 8.24 8.88 2w02B1 VAL 451 HA 0.03 0.37 0.98 -0.75 4.13 4.76 2w02B1 VAL 451 HB -0.02 -0.17 0.27 -0.04 2.12 2.16 2w02B1 VAL 451 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.87 2w02B1 VAL 451 HG23 -0.04 -0.01 -0.07 -0.04 0.95 0.79 2w02B1 HIS 452 H -0.11 0.76 0.30 -0.55 8.41 8.82 2w02B1 HIS 452 HA 0.04 0.20 0.93 -0.75 4.63 5.05 2w02B1 HIS 452 HB2 0.16 -0.01 -0.58 -0.04 3.26 2.79 2w02B1 HIS 452 HB3 0.17 -0.01 -0.44 -0.04 3.20 2.88 2w02B1 HIS 452 HD2 0.15 0.05 -0.26 -0.04 6.97 6.87 2w02B1 HIS 452 HE1 0.01 0.01 -0.03 -0.04 7.75 7.70 2w02B1 GLN 453 H 0.12 0.84 0.04 -0.55 8.47 8.93 2w02B1 GLN 453 HA -0.01 0.13 0.95 -0.75 4.36 4.68 2w02B1 GLN 453 HB2 0.01 0.01 -0.02 -0.04 2.15 2.11 2w02B1 GLN 453 HB3 0.03 0.05 0.16 -0.04 2.02 2.22 2w02B1 GLN 453 HG2 0.01 -0.01 -0.00 -0.04 2.40 2.35 2w02B1 GLN 453 HG3 0.02 0.00 -0.10 -0.04 2.39 2.27 2w02B1 GLN 453 HE21 0.01 -0.03 -0.00 -0.04 6.97 6.91 2w02B1 GLN 453 HE22 0.02 0.00 -0.06 -0.04 7.69 7.61 2w02B1 GLN 454 H 0.09 0.22 0.01 -0.55 8.47 8.24 2w02B1 GLN 454 HA 0.05 0.05 0.30 -0.75 4.36 4.00 2w02B1 GLN 454 HB2 0.03 0.13 -0.01 -0.04 2.15 2.26 2w02B1 GLN 454 HB3 0.10 0.10 0.26 -0.04 2.02 2.44 2w02B1 GLN 454 HG2 0.16 0.02 0.06 -0.04 2.40 2.60 2w02B1 GLN 454 HG3 0.08 -0.07 -0.02 -0.04 2.39 2.35 2w02B1 GLN 454 HE21 0.03 -0.02 0.00 -0.04 6.97 6.93 2w02B1 GLN 454 HE22 0.05 -0.02 0.00 -0.04 7.69 7.68 2w02B1 GLY 455 H 0.22 0.10 -0.34 -0.55 8.43 7.86 2w02B1 GLY 455 HA2 -0.25 -0.00 0.17 -0.51 4.01 3.41 2w02B1 GLY 455 HA3 -0.01 0.14 0.38 -0.51 4.01 4.01 2w02B1 ARG 456 H 0.11 0.43 -0.86 -0.55 8.46 7.59 2w02B1 ARG 456 HA 0.22 0.09 0.47 -0.75 4.34 4.37 2w02B1 ARG 456 HB2 0.06 0.17 0.14 -0.04 1.90 2.23 2w02B1 ARG 456 HB3 0.05 0.06 -0.01 -0.04 1.80 1.86 2w02B1 ARG 456 HG2 0.03 -0.06 0.02 -0.04 1.67 1.62 2w02B1 ARG 456 HG3 0.13 -0.03 0.01 -0.04 1.67 1.73 2w02B1 ARG 456 HD2 -0.07 -0.03 -0.05 -0.04 3.22 3.03 2w02B1 ARG 456 HD3 -0.05 0.14 0.08 -0.04 3.22 3.35 2w02B1 PRO 457 HA 0.01 0.01 0.43 -0.51 4.44 4.39 2w02B1 PRO 457 HB2 -0.28 0.01 -0.08 -0.04 2.28 1.89 2w02B1 PRO 457 HB3 -0.28 0.03 -0.13 -0.04 2.02 1.60 2w02B1 PRO 457 HG2 -1.11 0.05 0.06 -0.04 2.03 0.99 2w02B1 PRO 457 HG3 -0.87 0.02 0.04 -0.04 2.03 1.17 2w02B1 PRO 457 HD2 -0.29 0.01 0.25 -0.04 3.68 3.61 2w02B1 PRO 457 HD3 -0.07 0.49 0.36 -0.04 3.65 4.40 2w02B1 GLN 458 H 0.00 0.53 0.42 -0.55 8.47 8.87 2w02B1 GLN 458 HA -0.04 0.14 0.86 -0.75 4.36 4.57 2w02B1 GLN 458 HB2 -0.01 0.03 0.04 -0.04 2.15 2.17 2w02B1 GLN 458 HB3 -0.02 -0.05 -0.00 -0.04 2.02 1.90 2w02B1 GLN 458 HG2 0.03 0.03 -0.07 -0.04 2.40 2.35 2w02B1 GLN 458 HG3 -0.00 -0.05 -0.17 -0.04 2.39 2.13 2w02B1 GLN 458 HE21 -0.01 -0.04 0.00 -0.04 6.97 6.89 2w02B1 GLN 458 HE22 -0.01 -0.03 -0.02 -0.04 7.69 7.59 2w02B1 GLN 459 H -0.04 0.42 0.38 -0.55 8.47 8.68 2w02B1 GLN 459 HA -0.10 0.23 0.78 -0.75 4.36 4.52 2w02B1 GLN 459 HB2 -0.05 -0.10 0.04 -0.04 2.15 2.00 2w02B1 GLN 459 HB3 -0.07 0.01 -0.09 -0.04 2.02 1.83 2w02B1 GLN 459 HG2 -0.04 -0.02 -0.07 -0.04 2.40 2.23 2w02B1 GLN 459 HG3 -0.05 0.19 0.01 -0.04 2.39 2.50 2w02B1 GLN 459 HE21 -0.03 -0.06 -0.11 -0.04 6.97 6.74 2w02B1 GLN 459 HE22 -0.04 0.12 -0.10 -0.04 7.69 7.63 2w02B1 VAL 460 H -0.14 0.35 0.10 -0.55 8.24 7.99 2w02B1 VAL 460 HA -0.10 0.16 0.93 -0.75 4.13 4.37 2w02B1 VAL 460 HB -0.22 0.15 0.02 -0.04 2.12 2.03 2w02B1 VAL 460 HG13 -0.05 -0.02 -0.14 -0.04 0.97 0.72 2w02B1 VAL 460 HG23 -0.54 -0.02 -0.13 -0.04 0.95 0.23 2w02B1 LEU 461 H -0.12 0.49 0.15 -0.55 8.37 8.34 2w02B1 LEU 461 HA -0.14 0.14 0.52 -0.75 4.35 4.11 2w02B1 LEU 461 HB2 -0.23 -0.01 -0.00 -0.04 1.64 1.35 2w02B1 LEU 461 HB3 -0.35 -0.03 0.05 -0.04 1.64 1.27 2w02B1 LEU 461 HG -0.28 0.04 -0.15 -0.04 1.64 1.21 2w02B1 LEU 461 HD13 -0.41 -0.02 -0.16 -0.04 0.93 0.30 2w02B1 LEU 461 HD23 -0.77 -0.02 -0.36 -0.04 0.89 -0.31 2w02B1 LEU 462 H -0.14 0.50 0.42 -0.55 8.37 8.61 2w02B1 LEU 462 HA -0.11 0.37 1.06 -0.75 4.35 4.92 2w02B1 LEU 462 HB2 -0.05 -0.01 0.18 -0.04 1.64 1.71 2w02B1 LEU 462 HB3 -0.05 -0.05 0.02 -0.04 1.64 1.52 2w02B1 LEU 462 HG -0.07 0.20 -0.07 -0.04 1.64 1.67 2w02B1 LEU 462 HD13 -0.01 -0.03 -0.01 -0.04 0.93 0.84 2w02B1 LEU 462 HD23 -0.05 0.02 -0.02 -0.04 0.89 0.80 2w02B1 ARG 463 H -0.12 0.60 0.31 -0.55 8.46 8.69 2w02B1 ARG 463 HA -0.21 0.13 0.91 -0.75 4.34 4.41 2w02B1 ARG 463 HB2 -0.24 -0.09 0.07 -0.04 1.90 1.61 2w02B1 ARG 463 HB3 -0.23 -0.03 -0.34 -0.04 1.80 1.16 2w02B1 ARG 463 HG2 -0.13 0.11 -0.09 -0.04 1.67 1.51 2w02B1 ARG 463 HG3 -0.14 -0.01 -0.36 -0.04 1.67 1.13 2w02B1 ARG 463 HD2 -0.16 -0.06 -0.11 -0.04 3.22 2.85 2w02B1 ARG 463 HD3 -0.11 -0.05 -0.17 -0.04 3.22 2.85 2w02B1 ASP 464 H -0.40 0.13 0.08 -0.55 8.40 7.66 2w02B1 ASP 464 HA -0.18 -0.04 0.32 -0.75 4.63 3.99 2w02B1 ASP 464 HB2 -0.09 -0.01 -0.33 -0.04 2.71 2.23 2w02B1 ASP 464 HB3 -0.07 0.29 0.43 -0.04 2.70 3.30 2w02B1 PHE 465 H -0.20 0.13 0.11 -0.55 8.34 7.82 2w02B1 PHE 465 HA -0.05 0.17 0.22 -0.75 4.62 4.19 2w02B1 PHE 465 HB2 -0.03 -0.01 0.06 -0.04 3.15 3.13 2w02B1 PHE 465 HB3 0.00 0.07 0.04 -0.04 3.06 3.13 2w02B1 PHE 465 HD2 -0.12 0.06 -0.12 -0.04 7.28 7.06 2w02B1 PHE 465 HE2 -0.38 -0.10 -0.03 -0.04 7.38 6.83 2w02B1 PHE 465 HZ -0.39 0.01 -0.19 -0.04 7.32 6.71 2w02B1 GLU 466 H 0.06 -0.01 -0.28 -0.55 8.60 7.82 2w02B1 GLU 466 HA 0.04 0.07 0.38 -0.75 4.29 4.02 2w02B1 GLU 466 HB2 0.02 -0.03 0.01 -0.04 2.09 2.05 2w02B1 GLU 466 HB3 0.02 -0.06 0.01 -0.04 1.99 1.92 2w02B1 GLU 466 HG2 0.02 0.09 -0.40 -0.04 2.34 2.01 2w02B1 GLU 466 HG3 -0.00 -0.04 -0.07 -0.04 2.34 2.18 2w02B1 GLY 467 H 0.03 0.11 -0.21 -0.55 8.43 7.82 2w02B1 GLY 467 HA2 -0.01 0.13 0.51 -0.51 4.01 4.14 2w02B1 GLY 467 HA3 0.02 -0.04 0.28 -0.51 4.01 3.75 2w02B1 VAL 468 H 0.05 0.45 -0.77 -0.55 8.24 7.42 2w02B1 VAL 468 HA 0.02 0.23 0.78 -0.75 4.13 4.41 2w02B1 VAL 468 HB 0.09 0.13 0.13 -0.04 2.12 2.43 2w02B1 VAL 468 HG13 0.12 -0.01 -0.20 -0.04 0.97 0.84 2w02B1 VAL 468 HG23 0.14 -0.01 -0.16 -0.04 0.95 0.88 2w02B1 LYS 469 H -0.04 0.55 0.32 -0.55 8.42 8.70 2w02B1 LYS 469 HA -0.10 0.28 0.99 -0.75 4.32 4.74 2w02B1 LYS 469 HB2 -0.33 -0.11 0.02 -0.04 1.87 1.41 2w02B1 LYS 469 HB3 -0.33 0.00 0.06 -0.04 1.79 1.48 2w02B1 LYS 469 HG2 -0.43 0.06 -0.44 -0.04 1.46 0.60 2w02B1 LYS 469 HG3 -1.86 -0.12 -0.14 -0.04 1.46 -0.69 2w02B1 LYS 469 HD2 -0.38 -0.02 -0.27 -0.04 1.69 0.98 2w02B1 LYS 469 HD3 -0.20 0.13 -0.04 -0.04 1.68 1.53 2w02B1 LYS 469 HE2 -0.23 -0.08 -0.14 -0.04 2.99 2.50 2w02B1 LYS 469 HE3 -0.15 -0.12 -0.07 -0.04 2.99 2.61 2w02B1 LEU 470 H 0.01 0.73 0.30 -0.55 8.37 8.86 2w02B1 LEU 470 HA 0.05 0.34 1.01 -0.75 4.35 5.00 2w02B1 LEU 470 HB2 0.03 -0.01 -0.11 -0.04 1.64 1.51 2w02B1 LEU 470 HB3 0.05 -0.11 -0.32 -0.04 1.64 1.21 2w02B1 LEU 470 HG -0.00 0.03 -0.38 -0.04 1.64 1.24 2w02B1 LEU 470 HD13 0.02 0.02 -0.18 -0.04 0.93 0.74 2w02B1 LEU 470 HD23 -0.03 0.07 -0.19 -0.04 0.89 0.69 2w02B1 THR 471 H 0.05 0.23 0.32 -0.55 8.28 8.33 2w02B1 THR 471 HA 0.11 0.42 0.33 -0.75 4.39 4.49 2w02B1 THR 471 HB -0.00 -0.12 0.08 -0.04 4.32 4.23 2w02B1 THR 471 HG23 -0.01 0.15 0.09 -0.04 1.22 1.40 2w02B1 ASP 472 H 0.05 0.30 0.33 -0.55 8.40 8.54 2w02B1 ASP 472 HA 0.02 0.14 0.32 -0.75 4.63 4.36 2w02B1 ASP 472 HB2 0.01 0.06 0.06 -0.04 2.71 2.79 2w02B1 ASP 472 HB3 0.03 0.07 0.07 -0.04 2.70 2.83 2w02B1 ASP 473 H -0.01 -0.05 -0.20 -0.55 8.40 7.59 2w02B1 ASP 473 HA -0.03 0.20 0.55 -0.75 4.63 4.60 2w02B1 ASP 473 HB2 -0.04 0.08 0.11 -0.04 2.71 2.82 2w02B1 ASP 473 HB3 -0.02 -0.07 0.07 -0.04 2.70 2.63 2w02B1 LEU 474 H -0.04 0.08 -0.26 -0.55 8.37 7.60 2w02B1 LEU 474 HA -0.08 0.22 0.86 -0.75 4.35 4.59 2w02B1 LEU 474 HB2 -0.09 0.04 -0.42 -0.04 1.64 1.13 2w02B1 LEU 474 HB3 -0.10 -0.14 -0.03 -0.04 1.64 1.32 2w02B1 LEU 474 HG -0.07 0.06 -0.45 -0.04 1.64 1.13 2w02B1 LEU 474 HD13 -0.12 0.01 -0.03 -0.04 0.93 0.76 2w02B1 LEU 474 HD23 -0.13 0.02 -0.15 -0.04 0.89 0.59 2w02B1 GLY 475 H -0.02 -0.06 0.25 -0.55 8.43 8.06 2w02B1 GLY 475 HA2 0.20 0.45 0.49 -0.51 4.01 4.65 2w02B1 GLY 475 HA3 0.07 -0.09 0.44 -0.51 4.01 3.92 2w02B1 ILE 476 H 0.02 0.47 -0.22 -0.55 8.25 7.97 2w02B1 ILE 476 HA 0.05 0.03 0.28 -0.75 4.18 3.79 2w02B1 ILE 476 HB 0.03 0.02 -0.24 -0.04 1.89 1.65 2w02B1 ILE 476 HG12 0.02 -0.02 -0.09 -0.04 1.49 1.36 2w02B1 ILE 476 HG13 0.02 0.01 0.00 -0.04 1.21 1.21 2w02B1 ILE 476 HG23 -0.00 -0.00 -0.17 -0.04 0.93 0.71 2w02B1 ILE 476 HD13 0.03 -0.00 -0.09 -0.04 0.88 0.78 2w02B1 ARG 477 H -0.06 0.34 -0.50 -0.55 8.46 7.68 2w02B1 ARG 477 HA -0.06 0.01 0.38 -0.75 4.34 3.92 2w02B1 ARG 477 HB2 -0.11 -0.07 0.05 -0.04 1.90 1.73 2w02B1 ARG 477 HB3 -0.22 0.25 0.08 -0.04 1.80 1.86 2w02B1 ARG 477 HG2 -0.28 0.02 -0.21 -0.04 1.67 1.17 2w02B1 ARG 477 HG3 -0.12 -0.05 0.06 -0.04 1.67 1.52 2w02B1 ARG 477 HD2 -0.18 0.05 -0.00 -0.04 3.22 3.05 2w02B1 ARG 477 HD3 -0.14 -0.04 -0.02 -0.04 3.22 2.98 2w02B1 TYR 478 H 0.03 0.55 -0.39 -0.55 8.29 7.93 2w02B1 TYR 478 HA -0.00 0.02 0.37 -0.75 4.56 4.19 2w02B1 TYR 478 HB2 -0.04 0.21 0.13 -0.04 3.06 3.32 2w02B1 TYR 478 HB3 -0.04 -0.11 -0.01 -0.04 2.98 2.78 2w02B1 TYR 478 HD2 -0.01 0.05 0.10 -0.04 7.15 7.24 2w02B1 TYR 478 HE2 0.09 0.05 0.04 -0.04 6.85 6.98 2w02B1 ILE 479 H 0.08 0.32 -0.24 -0.55 8.25 7.86 2w02B1 ILE 479 HA 0.06 -0.03 0.40 -0.75 4.18 3.86 2w02B1 ILE 479 HB 0.04 0.12 0.03 -0.04 1.89 2.04 2w02B1 ILE 479 HG12 0.04 -0.03 -0.07 -0.04 1.49 1.40 2w02B1 ILE 479 HG13 0.06 0.01 -0.02 -0.04 1.21 1.22 2w02B1 ILE 479 HG23 0.04 0.05 -0.10 -0.04 0.93 0.88 2w02B1 ILE 479 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.80 2w02B1 ASP 480 H 0.04 0.06 0.16 -0.55 8.40 8.11 2w02B1 ASP 480 HA 0.03 0.11 0.55 -0.75 4.63 4.56 2w02B1 ASP 480 HB2 0.04 -0.01 0.12 -0.04 2.71 2.82 2w02B1 ASP 480 HB3 0.03 -0.20 0.02 -0.04 2.70 2.51 2w02B1 ASP 481 H 0.02 0.16 0.18 -0.55 8.40 8.21 2w02B1 ASP 481 HA 0.02 0.17 0.46 -0.75 4.63 4.52 2w02B1 ASP 481 HB2 0.01 -0.03 -0.03 -0.04 2.71 2.62 2w02B1 ASP 481 HB3 0.01 0.02 0.09 -0.04 2.70 2.78 2w02B1 ASP 482 H 0.03 0.00 -0.25 -0.55 8.40 7.63 2w02B1 ASP 482 HA 0.02 0.08 0.34 -0.75 4.63 4.32 2w02B1 ASP 482 HB2 0.03 0.01 0.05 -0.04 2.71 2.76 2w02B1 ASP 482 HB3 0.03 -0.03 0.05 -0.04 2.70 2.71 2w02B1 ILE 483 H 0.04 0.27 -0.70 -0.55 8.25 7.32 2w02B1 ILE 483 HA 0.09 -0.08 0.26 -0.75 4.18 3.71 2w02B1 ILE 483 HB 0.05 0.22 -0.02 -0.04 1.89 2.10 2w02B1 ILE 483 HG12 0.05 -0.02 0.01 -0.04 1.49 1.49 2w02B1 ILE 483 HG13 0.05 0.01 -0.01 -0.04 1.21 1.22 2w02B1 ILE 483 HG23 0.08 0.00 -0.20 -0.04 0.93 0.77 2w02B1 ILE 483 HD13 0.07 -0.02 -0.04 -0.04 0.88 0.86 2w02B1 HIS 484 H 0.23 0.05 0.13 -0.55 8.41 8.27 2w02B1 HIS 484 HA 0.10 0.17 0.47 -0.75 4.63 4.62 2w02B1 HIS 484 HB2 0.20 0.09 0.16 -0.04 3.26 3.67 2w02B1 HIS 484 HB3 0.21 -0.15 0.11 -0.04 3.20 3.32 2w02B1 HIS 484 HD2 0.15 0.07 0.03 -0.04 6.97 7.18 2w02B1 HIS 484 HE1 0.34 0.02 0.01 -0.04 7.75 8.08 2w02B1 PRO 485 HA 0.02 0.17 0.38 -0.51 4.44 4.50 2w02B1 PRO 485 HB2 -0.00 -0.04 0.04 -0.04 2.28 2.24 2w02B1 PRO 485 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 2w02B1 PRO 485 HG2 -0.14 0.02 0.10 -0.04 2.03 1.96 2w02B1 PRO 485 HG3 -0.07 0.15 0.11 -0.04 2.03 2.18 2w02B1 PRO 485 HD2 -0.83 0.01 0.23 -0.04 3.68 3.04 2w02B1 PRO 485 HD3 -0.20 0.28 0.25 -0.04 3.65 3.94 2w02B1 ARG 486 H 0.52 0.11 -0.19 -0.55 8.46 8.34 2w02B1 ARG 486 HA -0.06 0.12 0.40 -0.75 4.34 4.05 2w02B1 ARG 486 HB2 0.32 0.02 0.06 -0.04 1.90 2.27 2w02B1 ARG 486 HB3 0.07 -0.03 0.01 -0.04 1.80 1.80 2w02B1 ARG 486 HG2 -0.15 -0.03 -0.05 -0.04 1.67 1.40 2w02B1 ARG 486 HG3 -0.98 -0.00 -0.15 -0.04 1.67 0.50 2w02B1 ARG 486 HD2 -0.19 0.02 0.04 -0.04 3.22 3.05 2w02B1 ARG 486 HD3 -0.05 0.01 -0.01 -0.04 3.22 3.12 2w02B1 VAL 487 H 0.10 0.09 -0.25 -0.55 8.24 7.64 2w02B1 VAL 487 HA -0.14 0.07 0.37 -0.75 4.13 3.67 2w02B1 VAL 487 HB 0.07 0.14 0.01 -0.04 2.12 2.30 2w02B1 VAL 487 HG13 -0.00 0.05 -0.16 -0.04 0.97 0.82 2w02B1 VAL 487 HG23 -0.09 -0.05 0.02 -0.04 0.95 0.79 2w02B1 ARG 488 H 0.04 0.47 -0.25 -0.55 8.46 8.17 2w02B1 ARG 488 HA 0.02 0.05 0.38 -0.75 4.34 4.03 2w02B1 ARG 488 HB2 0.04 0.09 -0.07 -0.04 1.90 1.91 2w02B1 ARG 488 HB3 0.02 0.11 0.10 -0.04 1.80 1.99 2w02B1 ARG 488 HG2 0.02 -0.04 -0.15 -0.04 1.67 1.46 2w02B1 ARG 488 HG3 0.02 0.01 -0.04 -0.04 1.67 1.62 2w02B1 ARG 488 HD2 0.02 0.10 -0.08 -0.04 3.22 3.22 2w02B1 ARG 488 HD3 0.01 -0.05 -0.04 -0.04 3.22 3.09 2w02B1 GLN 489 H -0.02 0.59 -0.13 -0.55 8.47 8.37 2w02B1 GLN 489 HA -0.01 0.00 0.35 -0.75 4.36 3.95 2w02B1 GLN 489 HB2 -0.03 0.04 0.12 -0.04 2.15 2.24 2w02B1 GLN 489 HB3 -0.12 0.05 0.12 -0.04 2.02 2.04 2w02B1 GLN 489 HG2 -0.04 0.04 -0.03 -0.04 2.40 2.33 2w02B1 GLN 489 HG3 -0.01 -0.03 0.05 -0.04 2.39 2.36 2w02B1 GLN 489 HE21 -0.05 -0.05 -0.03 -0.04 6.97 6.80 2w02B1 GLN 489 HE22 -0.08 0.05 -0.06 -0.04 7.69 7.56 2w02B1 SER 490 H -0.09 0.33 -0.44 -0.55 8.46 7.72 2w02B1 SER 490 HA -0.02 0.03 0.38 -0.75 4.49 4.12 2w02B1 SER 490 HB2 -0.12 -0.08 0.01 -0.04 3.95 3.72 2w02B1 SER 490 HB3 0.00 0.14 0.01 -0.04 3.93 4.04 2w02B1 LEU 491 H -0.01 0.34 -0.30 -0.55 8.37 7.87 2w02B1 LEU 491 HA -0.02 0.19 0.64 -0.75 4.35 4.40 2w02B1 LEU 491 HB2 0.01 0.10 0.13 -0.04 1.64 1.85 2w02B1 LEU 491 HB3 0.01 -0.11 0.03 -0.04 1.64 1.52 2w02B1 LEU 491 HG -0.00 0.07 0.01 -0.04 1.64 1.67 2w02B1 LEU 491 HD13 0.02 -0.04 -0.09 -0.04 0.93 0.77 2w02B1 LEU 491 HD23 -0.00 0.01 -0.01 -0.04 0.89 0.85 2w02B1 LEU 492 H 0.03 0.25 -0.31 -0.55 8.37 7.80 2w02B1 LEU 492 HA 0.08 0.13 0.25 -0.75 4.35 4.06 2w02B1 LEU 492 HB2 0.04 0.17 0.09 -0.04 1.64 1.90 2w02B1 LEU 492 HB3 0.06 0.02 0.15 -0.04 1.64 1.83 2w02B1 LEU 492 HG 0.06 -0.12 -0.19 -0.04 1.64 1.36 2w02B1 LEU 492 HD13 0.05 0.04 -0.05 -0.04 0.93 0.92 2w02B1 LEU 492 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.79 2w02B1 TYR 493 H 0.19 0.61 0.32 -0.55 8.29 8.86 2w02B1 TYR 493 HA 0.04 0.15 0.85 -0.75 4.56 4.84 2w02B1 TYR 493 HB2 0.07 0.03 -0.03 -0.04 3.06 3.09 2w02B1 TYR 493 HB3 0.09 -0.02 -0.12 -0.04 2.98 2.89 2w02B1 TYR 493 HD2 0.06 0.09 -0.10 -0.04 7.15 7.16 2w02B1 TYR 493 HE2 0.05 0.02 -0.07 -0.04 6.85 6.81 2w02B1 SER 494 H -0.04 0.18 0.14 -0.55 8.46 8.19 2w02B1 SER 494 HA 0.05 0.06 0.74 -0.75 4.49 4.59 2w02B1 SER 494 HB2 0.01 0.05 0.18 -0.04 3.95 4.15 2w02B1 SER 494 HB3 -0.02 0.15 0.16 -0.04 3.93 4.18 2w02B1 ARG 495 H 0.05 0.17 0.21 -0.55 8.46 8.35 2w02B1 ARG 495 HA 0.19 0.17 0.49 -0.75 4.34 4.43 2w02B1 ARG 495 HB2 0.02 -0.02 0.18 -0.04 1.90 2.04 2w02B1 ARG 495 HB3 0.05 -0.02 0.16 -0.04 1.80 1.95 2w02B1 ARG 495 HG2 0.17 -0.00 -0.12 -0.04 1.67 1.67 2w02B1 ARG 495 HG3 -0.06 0.06 0.05 -0.04 1.67 1.69 2w02B1 ARG 495 HD2 -0.05 0.02 0.02 -0.04 3.22 3.17 2w02B1 ARG 495 HD3 0.01 -0.02 -0.00 -0.04 3.22 3.16 2w02B1 GLU 496 H 0.07 0.10 -0.03 -0.55 8.60 8.20 2w02B1 GLU 496 HA 0.18 0.12 0.39 -0.75 4.29 4.23 2w02B1 GLU 496 HB2 0.04 -0.04 0.12 -0.04 2.09 2.17 2w02B1 GLU 496 HB3 0.01 0.05 -0.05 -0.04 1.99 1.96 2w02B1 GLU 496 HG2 0.09 0.03 0.04 -0.04 2.34 2.46 2w02B1 GLU 496 HG3 0.07 0.01 0.03 -0.04 2.34 2.41 2w02B1 GLN 497 H 0.00 -0.01 -0.50 -0.55 8.47 7.41 2w02B1 GLN 497 HA -0.17 0.11 0.35 -0.75 4.36 3.89 2w02B1 GLN 497 HB2 -0.16 -0.20 0.10 -0.04 2.15 1.86 2w02B1 GLN 497 HB3 -0.42 0.14 0.03 -0.04 2.02 1.73 2w02B1 GLN 497 HG2 -0.90 0.11 -0.02 -0.04 2.40 1.56 2w02B1 GLN 497 HG3 -0.31 0.03 0.03 -0.04 2.39 2.09 2w02B1 GLN 497 HE21 -0.10 0.03 0.02 -0.04 6.97 6.88 2w02B1 GLN 497 HE22 -0.16 0.04 0.01 -0.04 7.69 7.53 2w02B1 GLY 498 H 0.15 0.53 -0.09 -0.55 8.43 8.47 2w02B1 GLY 498 HA2 0.42 0.11 0.46 -0.51 4.01 4.49 2w02B1 GLY 498 HA3 0.40 0.07 0.28 -0.51 4.01 4.24 2w02B1 TRP 499 H 0.28 0.42 -0.28 -0.55 7.97 7.85 2w02B1 TRP 499 HA -0.52 0.07 0.46 -0.75 4.62 3.87 2w02B1 TRP 499 HB2 0.01 0.01 0.05 -0.04 3.23 3.27 2w02B1 TRP 499 HB3 0.03 0.05 0.09 -0.04 3.23 3.36 2w02B1 TRP 499 HD1 0.11 0.03 -0.10 -0.04 7.22 7.21 2w02B1 TRP 499 HE1 0.24 0.08 -0.04 -0.04 10.20 10.45 2w02B1 TRP 499 HE3 -0.99 0.03 -0.01 -0.04 7.59 6.58 2w02B1 TRP 499 HZ2 0.32 0.05 -0.09 -0.04 7.44 7.68 2w02B1 TRP 499 HZ3 0.19 0.05 -0.04 -0.04 7.13 7.28 2w02B1 TRP 499 HH2 0.45 0.05 -0.07 -0.04 7.19 7.58 2w02B1 ASN 500 H 0.04 0.48 -0.09 -0.55 8.53 8.42 2w02B1 ASN 500 HA -0.16 0.01 0.47 -0.75 4.76 4.33 2w02B1 ASN 500 HB2 -0.22 0.08 0.10 -0.04 2.88 2.81 2w02B1 ASN 500 HB3 -0.29 -0.02 0.02 -0.04 2.79 2.46 2w02B1 ASN 500 HD21 -0.06 -0.06 -0.05 -0.04 7.03 6.83 2w02B1 ASN 500 HD22 -0.25 -0.00 -0.04 -0.04 7.74 7.41 2w02B1 ARG 501 H -0.03 0.31 -0.43 -0.55 8.46 7.76 2w02B1 ARG 501 HA 0.21 0.03 0.49 -0.75 4.34 4.31 2w02B1 ARG 501 HB2 0.18 0.12 0.12 -0.04 1.90 2.28 2w02B1 ARG 501 HB3 0.11 0.13 0.01 -0.04 1.80 2.02 2w02B1 ARG 501 HG2 0.21 -0.08 0.01 -0.04 1.67 1.77 2w02B1 ARG 501 HG3 0.29 -0.04 0.03 -0.04 1.67 1.92 2w02B1 ARG 501 HD2 0.23 -0.03 -0.00 -0.04 3.22 3.37 2w02B1 ARG 501 HD3 0.42 -0.00 -0.01 -0.04 3.22 3.59 2w02B1 ILE 502 H -0.19 0.47 -0.01 -0.55 8.25 7.97 2w02B1 ILE 502 HA -0.18 0.03 0.49 -0.75 4.18 3.76 2w02B1 ILE 502 HB -0.55 0.03 0.22 -0.04 1.89 1.55 2w02B1 ILE 502 HG12 -0.12 0.00 0.05 -0.04 1.49 1.39 2w02B1 ILE 502 HG13 -0.18 0.19 0.14 -0.04 1.21 1.32 2w02B1 ILE 502 HG23 -0.30 -0.01 -0.12 -0.04 0.93 0.46 2w02B1 ILE 502 HD13 -0.31 -0.04 0.04 -0.04 0.88 0.52 2w02B1 MET 503 H -0.83 0.71 -0.04 -0.55 8.47 7.77 2w02B1 MET 503 HA -0.15 -0.03 0.35 -0.75 4.52 3.93 2w02B1 MET 503 HB2 -0.35 0.14 0.18 -0.04 2.15 2.07 2w02B1 MET 503 HB3 -0.13 0.00 -0.00 -0.04 2.03 1.86 2w02B1 MET 503 HG2 -0.47 -0.05 0.05 -0.04 2.63 2.12 2w02B1 MET 503 HG3 -1.60 0.07 0.01 -0.04 2.56 0.99 2w02B1 MET 503 HE3 0.03 0.01 0.03 -0.04 2.10 2.12 2w02B1 TYR 504 H 0.04 0.39 -0.26 -0.55 8.29 7.91 2w02B1 TYR 504 HA -0.09 0.11 0.52 -0.75 4.56 4.35 2w02B1 TYR 504 HB2 0.05 0.11 0.10 -0.04 3.06 3.27 2w02B1 TYR 504 HB3 0.06 0.08 0.23 -0.04 2.98 3.31 2w02B1 TYR 504 HD2 -0.03 0.08 0.10 -0.04 7.15 7.25 2w02B1 TYR 504 HE2 -0.00 0.05 -0.04 -0.04 6.85 6.81 2w02B1 CYS 505 H -0.03 0.73 0.05 -0.55 8.50 8.70 2w02B1 CYS 505 HA -0.43 -0.10 0.32 -0.75 4.58 3.61 2w02B1 CYS 505 HB2 -0.10 0.15 0.09 -0.04 2.97 3.07 2w02B1 CYS 505 HB3 -0.07 -0.05 -0.48 -0.04 2.97 2.32 2w02B1 LEU 506 H -0.30 0.80 -0.12 -0.55 8.37 8.21 2w02B1 LEU 506 HA -0.35 0.08 0.33 -0.75 4.35 3.66 2w02B1 LEU 506 HB2 -0.82 0.14 0.03 -0.04 1.64 0.95 2w02B1 LEU 506 HB3 -1.25 -0.06 -0.10 -0.04 1.64 0.20 2w02B1 LEU 506 HG -0.29 0.02 -0.01 -0.04 1.64 1.32 2w02B1 LEU 506 HD13 -0.20 -0.02 -0.08 -0.04 0.93 0.58 2w02B1 LEU 506 HD23 -0.27 0.01 -0.06 -0.04 0.89 0.52 2w02B1 PHE 507 H -0.17 0.54 -0.09 -0.55 8.34 8.07 2w02B1 PHE 507 HA 0.37 0.10 0.76 -0.75 4.62 5.10 2w02B1 PHE 507 HB2 -0.03 0.17 0.11 -0.04 3.15 3.36 2w02B1 PHE 507 HB3 0.34 -0.04 0.01 -0.04 3.06 3.33 2w02B1 PHE 507 HD2 0.35 0.07 0.02 -0.04 7.28 7.67 2w02B1 PHE 507 HE2 0.19 -0.02 -0.08 -0.04 7.38 7.43 2w02B1 PHE 507 HZ 0.30 -0.01 -0.07 -0.04 7.32 7.50 2w02B1 ILE 508 H -0.15 0.50 0.23 -0.55 8.25 8.27 2w02B1 ILE 508 HA -0.23 0.10 0.70 -0.75 4.18 3.99 2w02B1 ILE 508 HB -0.16 0.05 0.21 -0.04 1.89 1.95 2w02B1 ILE 508 HG12 -1.96 -0.02 -0.07 -0.04 1.49 -0.59 2w02B1 ILE 508 HG13 -0.75 -0.07 -0.06 -0.04 1.21 0.28 2w02B1 ILE 508 HG23 -0.10 0.01 -0.09 -0.04 0.93 0.71 2w02B1 ILE 508 HD13 -0.29 0.06 -0.13 -0.04 0.88 0.48 2w02B1 ASN 509 H -0.45 0.59 0.12 -0.55 8.53 8.24 2w02B1 ASN 509 HA -0.11 0.10 0.38 -0.75 4.76 4.37 2w02B1 ASN 509 HB2 -1.17 -0.01 0.01 -0.04 2.88 1.67 2w02B1 ASN 509 HB3 -0.38 0.19 0.17 -0.04 2.79 2.73 2w02B1 ASN 509 HD21 -0.21 -0.07 0.03 -0.04 7.03 6.74 2w02B1 ASN 509 HD22 0.11 0.08 -0.00 -0.04 7.74 7.89 2w02B1 HIS 510 H 0.02 0.09 -0.49 -0.55 8.41 7.49 2w02B1 HIS 510 HA -0.00 0.10 0.60 -0.75 4.63 4.57 2w02B1 HIS 510 HB2 -0.05 -0.04 -0.03 -0.04 3.26 3.10 2w02B1 HIS 510 HB3 -0.06 0.14 0.24 -0.04 3.20 3.48 2w02B1 HIS 510 HD2 0.08 -0.08 -0.48 -0.04 6.97 6.45 2w02B1 HIS 510 HE1 0.11 -0.02 -0.14 -0.04 7.75 7.65 2w02B1 LEU 511 H 0.13 0.67 0.14 -0.55 8.37 8.77 2w02B1 LEU 511 HA 0.13 -0.02 0.33 -0.75 4.35 4.04 2w02B1 LEU 511 HB2 0.38 0.12 0.24 -0.04 1.64 2.34 2w02B1 LEU 511 HB3 0.10 -0.07 0.05 -0.04 1.64 1.69 2w02B1 LEU 511 HG -0.08 0.11 0.15 -0.04 1.64 1.79 2w02B1 LEU 511 HD13 0.17 -0.01 -0.01 -0.04 0.93 1.04 2w02B1 LEU 511 HD23 0.13 -0.02 0.00 -0.04 0.89 0.96 2w02B1 SER 512 H 0.34 0.34 -0.33 -0.55 8.46 8.26 2w02B1 SER 512 HA 0.46 -0.02 0.45 -0.75 4.49 4.63 2w02B1 SER 512 HB2 0.58 0.30 0.30 -0.04 3.95 5.09 2w02B1 SER 512 HB3 0.23 0.24 -0.01 -0.04 3.93 4.36 2w02B1 GLU 513 H 0.04 0.31 -0.51 -0.55 8.60 7.91 2w02B1 GLU 513 HA -0.02 0.03 0.48 -0.75 4.29 4.03 2w02B1 GLU 513 HB2 -0.04 0.17 0.11 -0.04 2.09 2.28 2w02B1 GLU 513 HB3 -0.00 -0.00 -0.01 -0.04 1.99 1.93 2w02B1 GLU 513 HG2 0.04 0.02 -0.13 -0.04 2.34 2.22 2w02B1 GLU 513 HG3 0.02 0.08 0.06 -0.04 2.34 2.45 2w02B1 THR 514 H -0.27 0.50 -0.04 -0.55 8.28 7.92 2w02B1 THR 514 HA -1.61 0.03 0.44 -0.75 4.39 2.50 2w02B1 THR 514 HB -0.16 0.15 0.15 -0.04 4.32 4.42 2w02B1 THR 514 HG23 -0.25 -0.02 -0.11 -0.04 1.22 0.80 2w02B1 ILE 515 H -0.27 0.59 -0.22 -0.55 8.25 7.79 2w02B1 ILE 515 HA -0.43 0.02 0.36 -0.75 4.18 3.37 2w02B1 ILE 515 HB -0.37 0.14 0.09 -0.04 1.89 1.71 2w02B1 ILE 515 HG12 -1.29 -0.08 -0.06 -0.04 1.49 0.02 2w02B1 ILE 515 HG13 -0.63 0.26 0.03 -0.04 1.21 0.83 2w02B1 ILE 515 HG23 -0.42 -0.01 -0.14 -0.04 0.93 0.32 2w02B1 ILE 515 HD13 -1.75 -0.01 -0.13 -0.04 0.88 -1.05 2w02B1 LEU 516 H -0.12 0.41 -0.25 -0.55 8.37 7.86 2w02B1 LEU 516 HA -0.05 0.01 0.29 -0.75 4.35 3.85 2w02B1 LEU 516 HB2 -0.06 0.04 -0.00 -0.04 1.64 1.58 2w02B1 LEU 516 HB3 -0.07 0.12 0.07 -0.04 1.64 1.72 2w02B1 LEU 516 HG -0.31 -0.00 -0.27 -0.04 1.64 1.02 2w02B1 LEU 516 HD13 -0.34 -0.04 -0.30 -0.04 0.93 0.22 2w02B1 LEU 516 HD23 -0.24 0.01 -0.14 -0.04 0.89 0.48 2w02B1 ALA 517 H -0.07 0.45 -0.32 -0.55 8.40 7.91 2w02B1 ALA 517 HA 0.11 0.06 0.62 -0.75 4.34 4.37 2w02B1 ALA 517 HB3 0.11 0.04 0.11 -0.04 1.41 1.62 2w02B1 LEU 518 H -0.07 0.46 -0.12 -0.55 8.37 8.10 2w02B1 LEU 518 HA -0.07 0.00 0.36 -0.75 4.35 3.88 2w02B1 LEU 518 HB2 -0.11 0.13 0.12 -0.04 1.64 1.73 2w02B1 LEU 518 HB3 -0.06 -0.08 -0.02 -0.04 1.64 1.44 2w02B1 LEU 518 HG 0.04 0.06 0.06 -0.04 1.64 1.75 2w02B1 LEU 518 HD13 0.32 -0.01 -0.07 -0.04 0.93 1.13 2w02B1 LEU 518 HD23 -0.32 -0.03 -0.01 -0.04 0.89 0.49 2w02B1 SER 519 H -0.04 0.21 -0.65 -0.55 8.46 7.43 2w02B1 SER 519 HA -0.05 0.16 0.70 -0.75 4.49 4.54 2w02B1 SER 519 HB2 -0.05 -0.01 0.02 -0.04 3.95 3.86 2w02B1 SER 519 HB3 -0.11 0.03 -0.10 -0.04 3.93 3.70 2w02B1 GLN 520 H 0.02 0.29 -0.39 -0.55 8.47 7.85 2w02B1 GLN 520 HA -0.03 -0.03 0.59 -0.75 4.36 4.13 2w02B1 GLN 520 HB2 0.03 0.17 0.20 -0.04 2.15 2.51 2w02B1 GLN 520 HB3 -0.08 0.01 0.10 -0.04 2.02 2.00 2w02B1 GLN 520 HG2 -0.71 -0.09 0.10 -0.04 2.40 1.66 2w02B1 GLN 520 HG3 -0.58 0.03 0.07 -0.04 2.39 1.88 2w02B1 GLN 520 HE21 -0.12 -0.02 -0.06 -0.04 6.97 6.73 2w02B1 GLN 520 HE22 -0.24 -0.03 -0.01 -0.04 7.69 7.38 2w02B1 GLY 521 H -0.09 0.11 0.14 -0.55 8.43 8.05 2w02B1 GLY 521 HA2 -0.05 -0.02 0.37 -0.51 4.01 3.80 2w02B1 GLY 521 HA3 -0.05 0.13 0.50 -0.51 4.01 4.07 2w02B1 ARG 522 H -0.02 0.55 -0.76 -0.55 8.46 7.68 2w02B1 ARG 522 HA -0.01 0.11 0.77 -0.75 4.34 4.45 2w02B1 ARG 522 HB2 -0.03 0.13 -0.01 -0.04 1.90 1.95 2w02B1 ARG 522 HB3 -0.02 -0.16 0.18 -0.04 1.80 1.76 2w02B1 ARG 522 HG2 -0.01 -0.07 0.05 -0.04 1.67 1.60 2w02B1 ARG 522 HG3 -0.02 0.18 -0.29 -0.04 1.67 1.49 2w02B1 ARG 522 HD2 -0.02 -0.07 -0.02 -0.04 3.22 3.06 2w02B1 ARG 522 HD3 -0.02 -0.07 -0.02 -0.04 3.22 3.08 2w02B1 PRO 523 HA -0.00 0.14 0.38 -0.51 4.44 4.44 2w02B1 PRO 523 HB2 -0.01 0.02 0.06 -0.04 2.28 2.32 2w02B1 PRO 523 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 2w02B1 PRO 523 HG2 -0.00 -0.03 0.08 -0.04 2.03 2.04 2w02B1 PRO 523 HG3 0.00 0.17 0.13 -0.04 2.03 2.30 2w02B1 PRO 523 HD2 -0.00 0.15 0.03 -0.04 3.68 3.82 2w02B1 PRO 523 HD3 -0.00 0.05 -0.04 -0.04 3.65 3.62 2w02B1 GLN 524 H -0.01 0.11 -0.37 -0.55 8.47 7.66 2w02B1 GLN 524 HA 0.00 0.12 0.50 -0.75 4.36 4.23 2w02B1 GLN 524 HB2 0.01 0.00 0.11 -0.04 2.15 2.23 2w02B1 GLN 524 HB3 0.00 0.02 0.09 -0.04 2.02 2.09 2w02B1 GLN 524 HG2 -0.00 0.03 -0.18 -0.04 2.40 2.21 2w02B1 GLN 524 HG3 0.00 -0.01 -0.02 -0.04 2.39 2.33 2w02B1 GLN 524 HE21 -0.00 0.08 0.07 -0.04 6.97 7.08 2w02B1 GLN 524 HE22 -0.00 -0.03 0.01 -0.04 7.69 7.63 2w02B1 LEU 525 H -0.02 0.51 -0.24 -0.55 8.37 8.08 2w02B1 LEU 525 HA -0.02 0.02 0.57 -0.75 4.35 4.16 2w02B1 LEU 525 HB2 -0.06 0.20 0.07 -0.04 1.64 1.80 2w02B1 LEU 525 HB3 -0.07 -0.05 0.04 -0.04 1.64 1.51 2w02B1 LEU 525 HG -0.02 0.03 0.07 -0.04 1.64 1.68 2w02B1 LEU 525 HD13 -0.02 0.01 0.01 -0.04 0.93 0.88 2w02B1 LEU 525 HD23 -0.00 -0.03 -0.02 -0.04 0.89 0.79 2w02B1 ALA 526 H -0.03 0.42 -0.32 -0.55 8.40 7.92 2w02B1 ALA 526 HA -0.16 0.02 0.28 -0.75 4.34 3.72 2w02B1 ALA 526 HB3 0.03 0.04 0.09 -0.04 1.41 1.53 2w02B1 PRO 527 HA 0.24 0.13 0.54 -0.51 4.44 4.83 2w02B1 PRO 527 HB2 0.06 0.02 0.02 -0.04 2.28 2.33 2w02B1 PRO 527 HB3 0.09 0.05 0.10 -0.04 2.02 2.22 2w02B1 PRO 527 HG2 0.03 0.03 0.10 -0.04 2.03 2.15 2w02B1 PRO 527 HG3 0.05 0.07 0.09 -0.04 2.03 2.20 2w02B1 PRO 527 HD2 0.02 0.38 -0.12 -0.04 3.68 3.92 2w02B1 PRO 527 HD3 0.03 0.20 0.16 -0.04 3.65 4.00 2w02B1 LEU 528 H 0.02 0.27 -0.32 -0.55 8.37 7.79 2w02B1 LEU 528 HA 0.05 0.02 0.36 -0.75 4.35 4.02 2w02B1 LEU 528 HB2 -0.01 0.16 0.15 -0.04 1.64 1.90 2w02B1 LEU 528 HB3 0.03 -0.05 0.03 -0.04 1.64 1.61 2w02B1 LEU 528 HG 0.02 0.20 0.12 -0.04 1.64 1.93 2w02B1 LEU 528 HD13 0.02 -0.02 -0.00 -0.04 0.93 0.88 2w02B1 LEU 528 HD23 0.03 -0.02 -0.00 -0.04 0.89 0.86 2w02B1 MET 529 H -0.10 0.63 -0.10 -0.55 8.47 8.35 2w02B1 MET 529 HA -0.06 0.01 0.50 -0.75 4.52 4.22 2w02B1 MET 529 HB2 -0.50 0.15 0.13 -0.04 2.15 1.89 2w02B1 MET 529 HB3 -1.13 -0.03 -0.07 -0.04 2.03 0.76 2w02B1 MET 529 HG2 -0.73 -0.04 0.00 -0.04 2.63 1.81 2w02B1 MET 529 HG3 -0.23 -0.03 -0.00 -0.04 2.56 2.25 2w02B1 MET 529 HE3 -0.10 -0.00 -0.17 -0.04 2.10 1.79 2w02B1 TRP 530 H 0.07 0.56 -0.07 -0.55 7.97 7.99 2w02B1 TRP 530 HA 0.20 0.03 0.58 -0.75 4.62 4.68 2w02B1 TRP 530 HB2 0.13 0.14 0.14 -0.04 3.23 3.60 2w02B1 TRP 530 HB3 0.45 -0.05 -0.07 -0.04 3.23 3.52 2w02B1 TRP 530 HD1 0.00 0.04 -0.07 -0.04 7.22 7.16 2w02B1 TRP 530 HE1 -0.01 -0.03 0.00 -0.04 10.20 10.12 2w02B1 TRP 530 HE3 0.60 -0.08 0.05 -0.04 7.59 8.12 2w02B1 TRP 530 HZ2 0.33 -0.02 0.01 -0.04 7.44 7.73 2w02B1 TRP 530 HZ3 0.78 -0.03 -0.02 -0.04 7.13 7.81 2w02B1 TRP 530 HH2 0.50 0.24 0.05 -0.04 7.19 7.94 2w02B1 ARG 531 H 0.18 0.49 -0.29 -0.55 8.46 8.29 2w02B1 ARG 531 HA -0.01 0.02 0.53 -0.75 4.34 4.13 2w02B1 ARG 531 HB2 0.09 0.23 0.19 -0.04 1.90 2.37 2w02B1 ARG 531 HB3 0.05 0.03 0.00 -0.04 1.80 1.83 2w02B1 ARG 531 HG2 0.01 -0.05 0.05 -0.04 1.67 1.63 2w02B1 ARG 531 HG3 0.04 -0.02 0.07 -0.04 1.67 1.73 2w02B1 ARG 531 HD2 0.05 -0.03 0.00 -0.04 3.22 3.20 2w02B1 ARG 531 HD3 0.07 0.06 -0.03 -0.04 3.22 3.28 2w02B1 ARG 532 H 0.10 0.34 -0.27 -0.55 8.46 8.08 2w02B1 ARG 532 HA 0.03 0.03 0.61 -0.75 4.34 4.25 2w02B1 ARG 532 HB2 0.20 0.15 0.18 -0.04 1.90 2.39 2w02B1 ARG 532 HB3 0.12 -0.03 0.02 -0.04 1.80 1.87 2w02B1 ARG 532 HG2 0.06 -0.03 0.03 -0.04 1.67 1.68 2w02B1 ARG 532 HG3 0.06 -0.03 -0.02 -0.04 1.67 1.64 2w02B1 ARG 532 HD2 0.11 0.11 -0.05 -0.04 3.22 3.35 2w02B1 ARG 532 HD3 0.15 0.02 -0.01 -0.04 3.22 3.33 2w02B1 VAL 533 H 0.18 0.37 -0.20 -0.55 8.24 8.03 2w02B1 VAL 533 HA 0.11 0.03 0.46 -0.75 4.13 3.98 2w02B1 VAL 533 HB 0.35 0.22 0.18 -0.04 2.12 2.83 2w02B1 VAL 533 HG13 0.50 -0.01 -0.14 -0.04 0.97 1.27 2w02B1 VAL 533 HG23 0.38 0.06 0.05 -0.04 0.95 1.40 2w02B1 GLN 534 H -0.33 0.53 -0.15 -0.55 8.47 7.97 2w02B1 GLN 534 HA -0.75 0.02 0.35 -0.75 4.36 3.22 2w02B1 GLN 534 HB2 -1.05 0.13 0.17 -0.04 2.15 1.35 2w02B1 GLN 534 HB3 -0.39 0.04 0.15 -0.04 2.02 1.78 2w02B1 GLN 534 HG2 -0.46 -0.08 0.03 -0.04 2.40 1.84 2w02B1 GLN 534 HG3 -1.69 0.06 0.09 -0.04 2.39 0.80 2w02B1 GLN 534 HE21 0.05 -0.09 0.02 -0.04 6.97 6.91 2w02B1 GLN 534 HE22 0.02 0.61 0.15 -0.04 7.69 8.42 2w02B1 GLN 535 H -0.14 0.62 -0.09 -0.55 8.47 8.32 2w02B1 GLN 535 HA -0.08 0.00 0.46 -0.75 4.36 3.99 2w02B1 GLN 535 HB2 -0.04 0.09 0.19 -0.04 2.15 2.35 2w02B1 GLN 535 HB3 -0.03 -0.05 0.00 -0.04 2.02 1.90 2w02B1 GLN 535 HG2 -0.03 -0.06 0.05 -0.04 2.40 2.32 2w02B1 GLN 535 HG3 -0.06 0.04 0.10 -0.04 2.39 2.43 2w02B1 GLN 535 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.87 2w02B1 GLN 535 HE22 -0.01 -0.02 -0.00 -0.04 7.69 7.62 2w02B1 GLN 536 H -0.04 0.57 -0.32 -0.55 8.47 8.14 2w02B1 GLN 536 HA -0.03 -0.01 0.45 -0.75 4.36 4.02 2w02B1 GLN 536 HB2 -0.03 0.09 0.14 -0.04 2.15 2.31 2w02B1 GLN 536 HB3 0.01 0.08 0.14 -0.04 2.02 2.21 2w02B1 GLN 536 HG2 -0.05 -0.03 -0.06 -0.04 2.40 2.22 2w02B1 GLN 536 HG3 -0.00 -0.04 -0.12 -0.04 2.39 2.19 2w02B1 GLN 536 HE21 -0.05 -0.01 0.01 -0.04 6.97 6.87 2w02B1 GLN 536 HE22 -0.05 0.04 0.03 -0.04 7.69 7.67 2w02B1 LEU 537 H -0.04 0.62 -0.18 -0.55 8.37 8.22 2w02B1 LEU 537 HA 0.08 0.02 0.56 -0.75 4.35 4.25 2w02B1 LEU 537 HB2 -0.06 0.24 0.17 -0.04 1.64 1.95 2w02B1 LEU 537 HB3 0.08 -0.10 0.00 -0.04 1.64 1.58 2w02B1 LEU 537 HG 0.12 0.20 -0.01 -0.04 1.64 1.91 2w02B1 LEU 537 HD13 0.06 -0.02 -0.07 -0.04 0.93 0.85 2w02B1 LEU 537 HD23 0.44 -0.03 -0.02 -0.04 0.89 1.24 2w02B1 ARG 538 H -0.05 0.44 -0.21 -0.55 8.46 8.09 2w02B1 ARG 538 HA -0.03 -0.00 0.50 -0.75 4.34 4.06 2w02B1 ARG 538 HB2 -0.05 0.22 0.24 -0.04 1.90 2.27 2w02B1 ARG 538 HB3 -0.03 -0.05 -0.01 -0.04 1.80 1.67 2w02B1 ARG 538 HG2 -0.03 -0.05 0.02 -0.04 1.67 1.57 2w02B1 ARG 538 HG3 -0.04 -0.02 0.01 -0.04 1.67 1.58 2w02B1 ARG 538 HD2 -0.09 0.08 -0.11 -0.04 3.22 3.07 2w02B1 ARG 538 HD3 -0.05 -0.03 0.01 -0.04 3.22 3.12 2w02B1 ALA 539 H -0.02 0.38 -0.18 -0.55 8.40 8.04 2w02B1 ALA 539 HA -0.02 0.02 0.33 -0.75 4.34 3.92 2w02B1 ALA 539 HB3 -0.02 0.03 0.08 -0.04 1.41 1.46 2w02B1 ILE 540 H -0.00 0.39 -0.27 -0.55 8.25 7.81 2w02B1 ILE 540 HA -0.00 0.07 0.46 -0.75 4.18 3.95 2w02B1 ILE 540 HB 0.04 0.06 0.12 -0.04 1.89 2.07 2w02B1 ILE 540 HG12 0.02 -0.02 -0.01 -0.04 1.49 1.44 2w02B1 ILE 540 HG13 0.01 0.01 0.01 -0.04 1.21 1.20 2w02B1 ILE 540 HG23 0.06 -0.01 -0.17 -0.04 0.93 0.77 2w02B1 ILE 540 HD13 0.05 -0.00 -0.17 -0.04 0.88 0.72 2w02B1 GLN 541 H -0.03 0.44 -0.24 -0.55 8.47 8.10 2w02B1 GLN 541 HA -0.12 0.00 0.40 -0.75 4.36 3.89 2w02B1 GLN 541 HB2 -0.10 -0.00 0.14 -0.04 2.15 2.15 2w02B1 GLN 541 HB3 -0.05 0.16 0.21 -0.04 2.02 2.30 2w02B1 GLN 541 HG2 -0.08 0.04 -0.25 -0.04 2.40 2.07 2w02B1 GLN 541 HG3 -0.14 -0.07 0.02 -0.04 2.39 2.16 2w02B1 GLN 541 HE21 -0.04 -0.04 -0.03 -0.04 6.97 6.82 2w02B1 GLN 541 HE22 -0.05 0.08 -0.00 -0.04 7.69 7.67 2w02B1 GLY 542 H -0.04 0.38 -0.24 -0.55 8.43 7.99 2w02B1 GLY 542 HA2 -0.04 0.04 0.43 -0.51 4.01 3.93 2w02B1 GLY 542 HA3 -0.03 -0.02 0.27 -0.51 4.01 3.72 2w02B1 GLU 543 H -0.03 0.20 -0.62 -0.55 8.60 7.61 2w02B1 GLU 543 HA -0.01 0.04 0.70 -0.75 4.29 4.27 2w02B1 GLU 543 HB2 -0.01 -0.06 0.09 -0.04 2.09 2.07 2w02B1 GLU 543 HB3 -0.01 0.12 0.21 -0.04 1.99 2.28 2w02B1 GLU 543 HG2 0.01 -0.01 -0.11 -0.04 2.34 2.19 2w02B1 GLU 543 HG3 0.00 -0.03 0.02 -0.04 2.34 2.29 2w02B1 LEU 544 H -0.04 0.26 -0.22 -0.55 8.37 7.82 2w02B1 LEU 544 HA -0.01 -0.01 0.35 -0.75 4.35 3.93 2w02B1 LEU 544 HB2 -0.08 0.20 0.16 -0.04 1.64 1.87 2w02B1 LEU 544 HB3 -0.04 -0.11 0.04 -0.04 1.64 1.48 2w02B1 LEU 544 HG -0.03 0.27 -0.05 -0.04 1.64 1.79 2w02B1 LEU 544 HD13 -0.24 -0.04 -0.00 -0.04 0.93 0.61 2w02B1 LEU 544 HD23 0.10 -0.02 -0.04 -0.04 0.89 0.88 2w02B1 LYS 545 H -0.03 0.07 0.19 -0.55 8.42 8.09 2w02B1 LYS 545 HA -0.04 0.20 0.78 -0.75 4.32 4.50 2w02B1 LYS 545 HB2 -0.08 0.01 0.12 -0.04 1.87 1.88 2w02B1 LYS 545 HB3 -0.06 -0.05 0.14 -0.04 1.79 1.78 2w02B1 LYS 545 HG2 -0.02 0.13 -0.09 -0.04 1.46 1.44 2w02B1 LYS 545 HG3 -0.03 -0.03 0.04 -0.04 1.46 1.40 2w02B1 LYS 545 HD2 -0.02 -0.08 0.01 -0.04 1.69 1.57 2w02B1 LYS 545 HD3 -0.03 -0.02 0.03 -0.04 1.68 1.63 2w02B1 LYS 545 HE2 -0.01 0.24 -0.07 -0.04 2.99 3.10 2w02B1 LYS 545 HE3 -0.00 -0.06 -0.01 -0.04 2.99 2.87 2w02B1 GLN 546 H -0.04 0.05 -0.02 -0.55 8.47 7.91 2w02B1 GLN 546 HA -0.05 0.20 0.95 -0.75 4.36 4.69 2w02B1 GLN 546 HB2 -0.03 0.35 0.14 -0.04 2.15 2.56 2w02B1 GLN 546 HB3 -0.05 -0.03 0.13 -0.04 2.02 2.03 2w02B1 GLN 546 HG2 -0.11 -0.11 -0.14 -0.04 2.40 2.00 2w02B1 GLN 546 HG3 -0.11 0.05 0.06 -0.04 2.39 2.34 2w02B1 GLN 546 HE21 -0.07 -0.08 0.05 -0.04 6.97 6.82 2w02B1 GLN 546 HE22 -0.10 -0.01 -0.03 -0.04 7.69 7.50 2w02B1 PRO 547 HA -0.06 0.03 0.35 -0.51 4.44 4.24 2w02B1 PRO 547 HB2 -0.03 -0.03 0.05 -0.04 2.28 2.22 2w02B1 PRO 547 HB3 -0.04 -0.02 0.08 -0.04 2.02 2.00 2w02B1 PRO 547 HG2 -0.04 0.00 0.10 -0.04 2.03 2.05 2w02B1 PRO 547 HG3 -0.04 0.05 0.09 -0.04 2.03 2.09 2w02B1 PRO 547 HD2 -0.04 0.09 0.21 -0.04 3.68 3.89 2w02B1 PRO 547 HD3 -0.05 0.18 0.24 -0.04 3.65 3.98 2w02B1 SER 548 H -0.13 0.11 0.09 -0.55 8.46 7.99 2w02B1 SER 548 HA -0.04 0.16 0.83 -0.75 4.49 4.69 2w02B1 SER 548 HB2 -1.41 -0.14 0.18 -0.04 3.95 2.54 2w02B1 SER 548 HB3 -0.62 0.20 -0.06 -0.04 3.93 3.42 2w02B1 PRO 549 HA -0.10 0.09 0.37 -0.51 4.44 4.29 2w02B1 PRO 549 HB2 -0.06 0.05 -0.05 -0.04 2.28 2.17 2w02B1 PRO 549 HB3 -0.06 0.07 0.07 -0.04 2.02 2.06 2w02B1 PRO 549 HG2 -0.04 0.00 0.03 -0.04 2.03 1.98 2w02B1 PRO 549 HG3 -0.04 0.08 0.02 -0.04 2.03 2.05 2w02B1 PRO 549 HD2 -0.01 0.18 0.00 -0.04 3.68 3.81 2w02B1 PRO 549 HD3 -0.05 0.11 -0.13 -0.04 3.65 3.54 2w02B1 GLU 550 H -0.10 0.16 -0.16 -0.55 8.60 7.96 2w02B1 GLU 550 HA -0.23 0.05 0.43 -0.75 4.29 3.78 2w02B1 GLU 550 HB2 -0.09 -0.00 0.01 -0.04 2.09 1.96 2w02B1 GLU 550 HB3 -1.41 0.08 -0.09 -0.04 1.99 0.53 2w02B1 GLU 550 HG2 -0.94 0.03 -0.02 -0.04 2.34 1.36 2w02B1 GLU 550 HG3 -0.43 0.01 0.03 -0.04 2.34 1.92 2w02B1 LEU 551 H -0.32 0.36 -0.39 -0.55 8.37 7.48 2w02B1 LEU 551 HA 0.12 0.02 0.34 -0.75 4.35 4.08 2w02B1 LEU 551 HB2 -0.49 0.03 0.14 -0.04 1.64 1.29 2w02B1 LEU 551 HB3 -0.16 0.05 0.05 -0.04 1.64 1.53 2w02B1 LEU 551 HG 0.03 0.02 -0.03 -0.04 1.64 1.62 2w02B1 LEU 551 HD13 0.39 -0.03 0.02 -0.04 0.93 1.27 2w02B1 LEU 551 HD23 -0.19 0.01 0.03 -0.04 0.89 0.69 2w02B1 ASP 552 H -0.09 0.22 -0.02 -0.55 8.40 7.97 2w02B1 ASP 552 HA 0.01 0.02 0.41 -0.75 4.63 4.32 2w02B1 ASP 552 HB2 -0.05 0.09 0.15 -0.04 2.71 2.86 2w02B1 ASP 552 HB3 -0.02 -0.01 0.01 -0.04 2.70 2.64 2w02B1 ALA 553 H -0.04 0.41 -0.24 -0.55 8.40 7.98 2w02B1 ALA 553 HA -0.04 0.04 0.54 -0.75 4.34 4.13 2w02B1 ALA 553 HB3 -0.36 0.03 0.07 -0.04 1.41 1.11 2w02B1 LEU 554 H 0.27 0.37 -0.04 -0.55 8.37 8.42 2w02B1 LEU 554 HA 0.49 0.08 0.38 -0.75 4.35 4.54 2w02B1 LEU 554 HB2 0.62 -0.01 0.09 -0.04 1.64 2.30 2w02B1 LEU 554 HB3 0.49 0.04 0.21 -0.04 1.64 2.33 2w02B1 LEU 554 HG 0.54 0.02 -0.23 -0.04 1.64 1.93 2w02B1 LEU 554 HD13 -0.16 0.01 -0.03 -0.04 0.93 0.71 2w02B1 LEU 554 HD23 0.38 -0.02 -0.03 -0.04 0.89 1.18 2w02B1 ILE 555 H 0.26 0.61 0.11 -0.55 8.25 8.68 2w02B1 ILE 555 HA 0.20 -0.02 0.43 -0.75 4.18 4.04 2w02B1 ILE 555 HB 0.09 0.03 0.06 -0.04 1.89 2.02 2w02B1 ILE 555 HG12 -0.01 0.01 -0.01 -0.04 1.49 1.43 2w02B1 ILE 555 HG13 0.13 0.01 0.06 -0.04 1.21 1.36 2w02B1 ILE 555 HG23 -0.01 -0.01 -0.14 -0.04 0.93 0.73 2w02B1 ILE 555 HD13 0.00 -0.02 -0.27 -0.04 0.88 0.55 2w02B1 ALA 556 H 0.18 0.34 -0.49 -0.55 8.40 7.88 2w02B1 ALA 556 HA 0.14 -0.01 0.43 -0.75 4.34 4.14 2w02B1 ALA 556 HB3 0.08 -0.01 0.14 -0.04 1.41 1.57 2w02B1 GLY 557 H 0.30 0.46 -0.40 -0.55 8.43 8.24 2w02B1 GLY 557 HA2 -0.17 -0.00 0.27 -0.51 4.01 3.59 2w02B1 GLY 557 HA3 0.03 0.08 0.42 -0.51 4.01 4.02 2w02B1 HIS 558 H 0.26 0.26 0.09 -0.55 8.41 8.47 2w02B1 HIS 558 HA -0.04 0.11 0.64 -0.75 4.63 4.59 2w02B1 HIS 558 HB2 0.01 -0.05 0.08 -0.04 3.26 3.27 2w02B1 HIS 558 HB3 0.03 0.05 0.02 -0.04 3.20 3.26 2w02B1 HIS 558 HD2 0.05 -0.07 -0.05 -0.04 6.97 6.85 2w02B1 HIS 558 HE1 0.32 -0.09 -0.09 -0.04 7.75 7.85 2w02B1 PRO 559 HA -0.23 0.07 0.47 -0.51 4.44 4.24 2w02B1 PRO 559 HB2 -0.08 -0.06 -0.11 -0.04 2.28 2.00 2w02B1 PRO 559 HB3 -0.09 0.07 -0.19 -0.04 2.02 1.77 2w02B1 PRO 559 HG2 -0.02 0.01 0.01 -0.04 2.03 1.99 2w02B1 PRO 559 HG3 -0.07 0.06 0.02 -0.04 2.03 2.00 2w02B1 PRO 559 HD2 0.07 0.04 0.15 -0.04 3.68 3.90 2w02B1 PRO 559 HD3 0.00 0.16 0.22 -0.04 3.65 3.99 2w02B1 VAL 560 H -0.13 0.82 0.27 -0.55 8.24 8.66 2w02B1 VAL 560 HA -0.19 0.06 0.70 -0.75 4.13 3.95 2w02B1 VAL 560 HB -0.05 0.00 -0.00 -0.04 2.12 2.03 2w02B1 VAL 560 HG13 -0.08 0.02 -0.10 -0.04 0.97 0.76 2w02B1 VAL 560 HG23 -0.16 0.02 -0.09 -0.04 0.95 0.68 2w02B1 ALA 561 H -0.04 0.07 0.15 -0.55 8.40 8.03 2w02B1 ALA 561 HA 0.03 0.18 0.59 -0.75 4.34 4.39 2w02B1 ALA 561 HB3 0.03 0.01 0.11 -0.04 1.41 1.52 2w02B1 CYS 562 H 0.09 0.85 0.37 -0.55 8.50 9.26 2w02B1 CYS 562 HA 0.06 0.03 0.90 -0.75 4.58 4.82 2w02B1 CYS 562 HB2 -0.06 0.03 -0.16 -0.04 2.97 2.74 2w02B1 CYS 562 HB3 -0.07 -0.03 -0.02 -0.04 2.97 2.81 2w02B1 LYS 563 H -1.19 0.05 0.12 -0.55 8.42 6.85 2w02B1 LYS 563 HA -1.42 0.17 0.65 -0.75 4.32 2.97 2w02B1 LYS 563 HB2 -1.29 -0.07 0.15 -0.04 1.87 0.61 2w02B1 LYS 563 HB3 -1.38 -0.05 0.06 -0.04 1.79 0.38 2w02B1 LYS 563 HG2 -0.41 0.18 -0.02 -0.04 1.46 1.18 2w02B1 LYS 563 HG3 -0.67 0.07 0.17 -0.04 1.46 0.99 2w02B1 LYS 563 HD2 -0.21 -0.06 0.03 -0.04 1.69 1.41 2w02B1 LYS 563 HD3 -0.16 -0.05 -0.00 -0.04 1.68 1.43 2w02B1 LYS 563 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 2w02B1 LYS 563 HE3 -0.08 0.08 0.04 -0.04 2.99 2.99 2w02B1 THR 564 H -0.44 0.70 0.31 -0.55 8.28 8.30 2w02B1 THR 564 HA -0.21 0.18 0.89 -0.75 4.39 4.49 2w02B1 THR 564 HB -0.17 -0.38 0.14 -0.04 4.32 3.86 2w02B1 THR 564 HG23 -0.21 0.05 -0.22 -0.04 1.22 0.80 2w02B1 ASN 565 H -0.12 -0.07 0.22 -0.55 8.53 8.02 2w02B1 ASN 565 HA -0.06 0.26 0.92 -0.75 4.76 5.12 2w02B1 ASN 565 HB2 -0.13 0.08 0.12 -0.04 2.88 2.91 2w02B1 ASN 565 HB3 -0.19 -0.10 0.11 -0.04 2.79 2.57 2w02B1 ASN 565 HD21 0.09 -0.08 -0.14 -0.04 7.03 6.86 2w02B1 ASN 565 HD22 -0.05 0.09 -0.03 -0.04 7.74 7.71 2w02B1 LEU 566 H -0.07 -0.04 0.21 -0.55 8.37 7.91 2w02B1 LEU 566 HA -0.07 0.19 0.83 -0.75 4.35 4.54 2w02B1 LEU 566 HB2 -0.03 0.04 0.03 -0.04 1.64 1.64 2w02B1 LEU 566 HB3 0.09 0.00 0.12 -0.04 1.64 1.82 2w02B1 LEU 566 HG 0.30 0.04 -0.26 -0.04 1.64 1.69 2w02B1 LEU 566 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.85 2w02B1 LEU 566 HD23 0.07 0.01 -0.10 -0.04 0.89 0.83 2w02B1 LYS 567 H -0.04 0.06 0.10 -0.55 8.42 7.99 2w02B1 LYS 567 HA 0.22 0.09 0.31 -0.75 4.32 4.19 2w02B1 LYS 567 HB2 -0.48 0.02 0.10 -0.04 1.87 1.47 2w02B1 LYS 567 HB3 -0.18 0.07 0.11 -0.04 1.79 1.74 2w02B1 LYS 567 HG2 -0.07 -0.02 -0.13 -0.04 1.46 1.20 2w02B1 LYS 567 HG3 -0.08 -0.04 0.03 -0.04 1.46 1.32 2w02B1 LYS 567 HD2 -0.53 0.08 0.02 -0.04 1.69 1.22 2w02B1 LYS 567 HD3 -0.20 0.17 -0.00 -0.04 1.68 1.60 2w02B1 LYS 567 HE2 -0.07 -0.11 -0.03 -0.04 2.99 2.75 2w02B1 LYS 567 HE3 -0.16 0.00 -0.01 -0.04 2.99 2.78 2w02B1 VAL 568 H -0.06 0.02 -0.41 -0.55 8.24 7.24 2w02B1 VAL 568 HA -0.02 0.08 0.09 -0.75 4.13 3.53 2w02B1 VAL 568 HB -0.07 0.05 -0.07 -0.04 2.12 1.98 2w02B1 VAL 568 HG13 -0.03 -0.02 -0.31 -0.04 0.97 0.56 2w02B1 VAL 568 HG23 -0.01 0.01 -0.10 -0.04 0.95 0.81 2w02B1 ARG 569 H -0.00 0.13 -0.68 -0.55 8.46 7.36 2w02B1 ARG 569 HA 0.02 0.07 0.34 -0.75 4.34 4.01 2w02B1 ARG 569 HB2 -0.01 0.14 0.04 -0.04 1.90 2.03 2w02B1 ARG 569 HB3 0.01 -0.12 -0.01 -0.04 1.80 1.64 2w02B1 ARG 569 HG2 0.00 0.01 -0.10 -0.04 1.67 1.54 2w02B1 ARG 569 HG3 -0.01 0.01 0.03 -0.04 1.67 1.65 2w02B1 ARG 569 HD2 0.03 0.06 -0.05 -0.04 3.22 3.22 2w02B1 ARG 569 HD3 0.05 -0.05 -0.04 -0.04 3.22 3.15 2w02B1 LEU 570 H 0.04 0.27 -0.28 -0.55 8.37 7.86 2w02B1 LEU 570 HA 0.03 0.01 0.57 -0.75 4.35 4.20 2w02B1 LEU 570 HB2 0.12 0.07 0.09 -0.04 1.64 1.88 2w02B1 LEU 570 HB3 0.06 0.03 -0.03 -0.04 1.64 1.65 2w02B1 LEU 570 HG 0.07 0.15 -0.07 -0.04 1.64 1.74 2w02B1 LEU 570 HD13 0.07 -0.02 -0.22 -0.04 0.93 0.72 2w02B1 LEU 570 HD23 0.01 -0.00 -0.09 -0.04 0.89 0.77 2w02B1 ALA 571 H 0.04 0.45 -0.06 -0.55 8.40 8.28 2w02B1 ALA 571 HA 0.03 0.02 0.38 -0.75 4.34 4.01 2w02B1 ALA 571 HB3 0.02 -0.01 0.05 -0.04 1.41 1.43 2w02B1 ALA 572 H 0.02 0.07 0.14 -0.55 8.40 8.08 2w02B1 ALA 572 HA 0.02 0.09 0.55 -0.75 4.34 4.25 2w02B1 ALA 572 HB3 0.01 -0.01 0.10 -0.04 1.41 1.47 2w02B1 GLU 573 H 0.02 0.12 0.15 -0.55 8.60 8.34 2w02B1 GLU 573 HA 0.02 0.25 0.30 -0.75 4.29 4.10 2w02B1 GLU 573 HB2 0.02 -0.08 0.11 -0.04 2.09 2.10 2w02B1 GLU 573 HB3 0.03 -0.01 0.03 -0.04 1.99 2.00 2w02B1 GLU 573 HG2 0.03 -0.03 0.02 -0.04 2.34 2.32 2w02B1 GLU 573 HG3 0.02 0.16 0.02 -0.04 2.34 2.50 2w02B1 ALA 574 H 0.02 0.01 -0.42 -0.55 8.40 7.46 2w02B1 ALA 574 HA 0.02 0.19 0.70 -0.75 4.34 4.49 2w02B1 ALA 574 HB3 0.02 -0.01 0.04 -0.04 1.41 1.42 2w02B1 ASP 575 H 0.01 0.63 -0.43 -0.55 8.40 8.06 2w02B1 ASP 575 HA 0.01 0.05 0.79 -0.75 4.63 4.73 2w02B1 ASP 575 HB2 0.01 -0.06 0.08 -0.04 2.71 2.70 2w02B1 ASP 575 HB3 0.01 0.30 0.19 -0.04 2.70 3.16 2w02B1 ARG 576 H 0.01 0.22 0.01 -0.55 8.46 8.14 2w02B1 ARG 576 HA 0.02 0.19 0.32 -0.75 4.34 4.12 2w02B1 ARG 576 HB2 0.01 -0.02 0.07 -0.04 1.90 1.91 2w02B1 ARG 576 HB3 0.01 0.01 -0.02 -0.04 1.80 1.77 2w02B1 ARG 576 HG2 0.02 0.02 -0.02 -0.04 1.67 1.65 2w02B1 ARG 576 HG3 0.02 0.04 -0.16 -0.04 1.67 1.53 2w02B1 ARG 576 HD2 0.01 0.03 0.01 -0.04 3.22 3.23 2w02B1 ARG 576 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2w02B1 GLN 577 H 0.01 0.05 -0.08 -0.55 8.47 7.90 2w02B1 GLN 577 HA 0.01 0.06 0.40 -0.75 4.36 4.07 2w02B1 GLN 577 HB2 0.00 0.01 -0.00 -0.04 2.15 2.12 2w02B1 GLN 577 HB3 -0.00 0.09 0.03 -0.04 2.02 2.09 2w02B1 GLN 577 HG2 0.00 -0.12 0.09 -0.04 2.40 2.33 2w02B1 GLN 577 HG3 0.00 0.03 0.04 -0.04 2.39 2.42 2w02B1 GLN 577 HE21 -0.00 0.00 0.01 -0.04 6.97 6.94 2w02B1 GLN 577 HE22 -0.00 -0.01 0.02 -0.04 7.69 7.66 2w02B1 ALA 578 H 0.00 0.16 -0.53 -0.55 8.40 7.49 2w02B1 ALA 578 HA -0.04 0.15 0.17 -0.75 4.34 3.87 2w02B1 ALA 578 HB3 -0.01 0.03 -0.04 -0.04 1.41 1.35 2w02B1 SER 579 H 0.02 0.38 -0.40 -0.55 8.46 7.92 2w02B1 SER 579 HA -0.07 -0.01 0.47 -0.75 4.49 4.11 2w02B1 SER 579 HB2 0.01 -0.05 0.12 -0.04 3.95 3.99 2w02B1 SER 579 HB3 0.02 -0.00 0.08 -0.04 3.93 3.98 2w02B1 TYR 580 H 0.07 0.43 -0.19 -0.55 8.29 8.04 2w02B1 TYR 580 HA -0.14 0.20 0.87 -0.75 4.56 4.73 2w02B1 TYR 580 HB2 -0.07 -0.04 -0.05 -0.04 3.06 2.86 2w02B1 TYR 580 HB3 -0.08 0.03 -0.11 -0.04 2.98 2.78 2w02B1 TYR 580 HD2 -0.09 -0.04 -0.29 -0.04 7.15 6.69 2w02B1 TYR 580 HE2 -0.07 0.02 -0.13 -0.04 6.85 6.63 2w02B1 VAL 581 H -0.05 0.68 0.29 -0.55 8.24 8.61 2w02B1 VAL 581 HA -0.02 0.14 0.55 -0.75 4.13 4.04 2w02B1 VAL 581 HB -0.08 -0.03 0.20 -0.04 2.12 2.17 2w02B1 VAL 581 HG13 -0.15 0.02 -0.04 -0.04 0.97 0.76 2w02B1 VAL 581 HG23 -0.11 0.03 -0.10 -0.04 0.95 0.74 2w02B1 ARG 582 H -0.04 0.24 0.16 -0.55 8.46 8.27 2w02B1 ARG 582 HA -0.02 0.22 0.81 -0.75 4.34 4.60 2w02B1 ARG 582 HB2 -0.03 0.01 0.05 -0.04 1.90 1.89 2w02B1 ARG 582 HB3 -0.04 0.01 -0.16 -0.04 1.80 1.57 2w02B1 ARG 582 HG2 -0.00 -0.06 -0.36 -0.04 1.67 1.20 2w02B1 ARG 582 HG3 -0.01 -0.01 -0.11 -0.04 1.67 1.50 2w02B1 ARG 582 HD2 0.00 0.01 -0.19 -0.04 3.22 3.00 2w02B1 ARG 582 HD3 -0.03 0.05 -0.43 -0.04 3.22 2.77 2w02B1 LEU 583 H -0.02 0.68 0.24 -0.55 8.37 8.72 2w02B1 LEU 583 HA -0.01 0.22 0.86 -0.75 4.35 4.66 2w02B1 LEU 583 HB2 0.14 -0.08 0.01 -0.04 1.64 1.66 2w02B1 LEU 583 HB3 0.19 0.22 0.03 -0.04 1.64 2.05 2w02B1 LEU 583 HG -0.01 -0.11 -0.29 -0.04 1.64 1.19 2w02B1 LEU 583 HD13 0.02 -0.04 -0.02 -0.04 0.93 0.84 2w02B1 LEU 583 HD23 0.02 0.11 0.07 -0.04 0.89 1.05 2w02B1 PRO 584 HA -0.16 -0.00 0.46 -0.51 4.44 4.23 2w02B1 PRO 584 HB2 -0.19 0.00 -0.04 -0.04 2.28 2.02 2w02B1 PRO 584 HB3 -0.13 0.04 0.07 -0.04 2.02 1.96 2w02B1 PRO 584 HG2 -0.07 0.02 0.07 -0.04 2.03 2.01 2w02B1 PRO 584 HG3 -0.07 0.04 0.05 -0.04 2.03 2.01 2w02B1 PRO 584 HD2 -0.05 0.19 0.21 -0.04 3.68 3.99 2w02B1 PRO 584 HD3 -0.04 0.17 0.21 -0.04 3.65 3.96 2w02B1 SER 585 H -0.34 0.17 -0.02 -0.55 8.46 7.72 2w02B1 SER 585 HA -0.80 0.07 0.40 -0.75 4.49 3.40 2w02B1 SER 585 HB2 -1.59 -0.06 0.01 -0.04 3.95 2.27 2w02B1 SER 585 HB3 -0.64 0.27 -0.03 -0.04 3.93 3.49 2w02B1 PRO 586 HA -0.56 0.11 0.24 -0.51 4.44 3.72 2w02B1 PRO 586 HB2 -0.90 -0.01 0.16 -0.04 2.28 1.49 2w02B1 PRO 586 HB3 -1.13 -0.09 0.10 -0.04 2.02 0.85 2w02B1 PRO 586 HG2 -1.88 0.01 -0.04 -0.04 2.03 0.08 2w02B1 PRO 586 HG3 -2.61 0.02 0.04 -0.04 2.03 -0.56 2w02B1 PRO 586 HD2 -2.08 0.09 0.06 -0.04 3.68 1.70 2w02B1 PRO 586 HD3 -1.71 0.14 0.16 -0.04 3.65 2.20 2w02B1 TRP 587 H -0.70 0.22 -0.95 -0.55 7.97 5.99 2w02B1 TRP 587 HA -0.09 0.17 0.57 -0.75 4.62 4.51 2w02B1 TRP 587 HB2 -0.01 -0.00 -0.02 -0.04 3.23 3.16 2w02B1 TRP 587 HB3 -0.05 0.01 -0.33 -0.04 3.23 2.82 2w02B1 TRP 587 HD1 -0.04 0.05 -0.01 -0.04 7.22 7.17 2w02B1 TRP 587 HE1 -0.03 0.29 0.13 -0.04 10.20 10.55 2w02B1 TRP 587 HE3 -0.10 -0.03 -0.14 -0.04 7.59 7.28 2w02B1 TRP 587 HZ2 -0.16 -0.05 -0.28 -0.04 7.44 6.91 2w02B1 TRP 587 HZ3 0.13 -0.03 -0.04 -0.04 7.13 7.15 2w02B1 TRP 587 HH2 -0.67 -0.03 -0.10 -0.04 7.19 6.35