============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. TRP 17 1.040 -15.377 28.802 18.462 -99.200 -91.000 TRP6 17 1.020 -13.271 29.152 19.484 -99.200 -91.000 TYR 22 0.840 -8.070 29.176 5.925 -99.200 -91.000 PHE 58 1.000 -12.643 25.038 8.035 -99.200 -91.000 PHE 59 1.000 -13.851 20.340 8.727 -99.200 -91.000 PHE 61 1.000 -4.867 26.518 5.418 -99.200 -91.000 TRP 69 1.040 -14.916 16.908 8.611 -99.200 -91.000 TRP6 69 1.020 -17.202 17.418 8.192 -99.200 -91.000 TYR 77 0.840 -21.404 10.488 3.459 -99.200 -91.000 PHE 83 1.000 -33.284 23.795 -6.335 -99.200 -91.000 TRP 86 1.040 -38.470 25.150 -6.032 -99.200 -91.000 TRP6 86 1.020 -37.583 27.289 -5.569 -99.200 -91.000 HIS 105 0.900 -38.128 14.397 -8.870 -99.200 -91.000 PHE 106 1.000 -35.359 22.310 -10.705 -99.200 -91.000 TYR 107 0.840 -32.796 14.585 -7.822 -99.200 -91.000 HIS 108 0.900 -26.966 23.203 -8.579 -99.200 -91.000 PHE 110 1.000 -22.677 19.184 -4.127 -99.200 -91.000 TYR 115 0.840 -16.111 21.515 -21.634 -99.200 -91.000 HIS 116 0.900 -19.106 13.918 -28.115 -99.200 -91.000 HIS 123 0.900 -23.993 24.365 -24.650 -99.200 -91.000 TYR 124 0.840 -22.707 17.777 -28.253 -99.200 -91.000 TRP 125 1.040 -31.620 17.532 -22.463 -99.200 -91.000 TRP6 125 1.020 -32.446 19.699 -21.927 -99.200 -91.000 PHE 126 1.000 -32.806 24.009 -26.267 -99.200 -91.000 TYR 130 0.840 -35.475 24.379 -31.361 -99.200 -91.000 PHE 138 1.000 -28.919 19.813 -17.592 -99.200 -91.000 TYR 140 0.840 -34.455 11.942 -13.453 -99.200 -91.000 TYR 143 0.840 -25.682 16.860 -13.794 -99.200 -91.000 TYR 166 0.840 -18.884 12.348 -0.258 -99.200 -91.000 TRP 168 1.040 -19.218 15.771 4.237 -99.200 -91.000 TRP6 168 1.020 -17.894 17.020 2.727 -99.200 -91.000 HIS 169 0.900 -27.780 17.060 3.779 -99.200 -91.000 PHE 170 1.000 -21.736 20.562 8.802 -99.200 -91.000 HIS 173 0.900 -26.338 25.297 17.365 -99.200 -91.000 PHE 178 1.000 -13.534 18.366 14.798 -99.200 -91.000 PHE 182 1.000 -7.472 21.922 14.460 -99.200 -91.000 HIS 191 0.900 -13.951 30.183 24.252 -99.200 -91.000 HIS 198 0.900 -15.951 52.399 24.660 -99.200 -91.000 PHE 218 1.000 -9.830 40.576 26.291 -99.200 -91.000 PHE 223 1.000 -9.101 45.024 17.277 -99.200 -91.000 PHE 229 1.000 -28.190 37.554 10.078 -99.200 -91.000 PHE 242 1.000 -26.396 44.076 5.187 -99.200 -91.000 HIS 248 0.900 -30.776 42.664 -7.587 -99.200 -91.000 HIS 261 0.900 -36.329 10.225 8.469 -99.200 -91.000 PHE 271 1.000 -33.177 13.674 -1.954 -99.200 -91.000 TRP 281 1.040 -36.325 28.808 -0.223 -99.200 -91.000 TRP6 281 1.020 -34.743 27.250 0.624 -99.200 -91.000 TRP 283 1.040 -33.579 24.090 6.170 -99.200 -91.000 TRP6 283 1.020 -33.623 26.312 6.984 -99.200 -91.000 PHE 291 1.000 -37.637 16.038 8.490 -99.200 -91.000 TYR 295 0.840 -42.797 29.242 4.429 -99.200 -91.000 TYR 297 0.840 -41.683 34.080 7.007 -99.200 -91.000 PHE 301 1.000 -44.791 39.461 -1.707 -99.200 -91.000 PHE 311 1.000 -41.259 24.755 9.485 -99.200 -91.000 TRP 315 1.040 -41.717 20.038 7.523 -99.200 -91.000 TRP6 315 1.020 -41.081 18.410 5.914 -99.200 -91.000 HIS 316 0.900 -49.032 15.970 7.973 -99.200 -91.000 PHE 329 1.000 -33.036 34.622 7.114 -99.200 -91.000 TRP 338 1.040 -9.336 44.676 5.884 -99.200 -91.000 TRP6 338 1.020 -7.628 43.449 4.786 -99.200 -91.000 PHE 351 1.000 -28.690 34.836 5.708 -99.200 -91.000 TYR 361 0.840 -17.798 29.311 -1.511 -99.200 -91.000 PHE 362 1.000 -21.591 33.574 0.290 -99.200 -91.000 TYR 364 0.840 -15.335 26.640 2.991 -99.200 -91.000 TYR 368 0.840 -7.663 30.728 -1.241 -99.200 -91.000 HIS 373 0.900 -6.639 39.426 -1.574 -99.200 -91.000 PHE 374 1.000 -2.748 38.184 7.988 -99.200 -91.000 PHE 387 1.000 -11.311 40.158 2.555 -99.200 -91.000 PHE 395 1.000 -24.378 38.790 -0.828 -99.200 -91.000 PHE 401 1.000 -27.178 29.306 -9.549 -99.200 -91.000 HIS 405 0.900 -31.705 28.961 -7.692 -99.200 -91.000 PHE 406 1.000 -36.712 32.434 -4.564 -99.200 -91.000 TYR 407 0.840 -36.675 37.718 -13.842 -99.200 -91.000 PHE 408 1.000 -34.971 33.684 -15.825 -99.200 -91.000 PHE 416 1.000 -41.949 34.274 -2.838 -99.200 -91.000 TRP 417 1.040 -44.351 31.000 -5.785 -99.200 -91.000 TRP6 417 1.020 -42.059 30.398 -5.994 -99.200 -91.000 TYR 436 0.840 -30.041 28.717 -20.304 -99.200 -91.000 TYR 453 0.840 -15.480 23.536 -10.202 -99.200 -91.000 TYR 454 0.840 -16.625 19.845 -6.948 -99.200 -91.000 PHE 457 1.000 -11.738 28.334 -2.175 -99.200 -91.000 PHE 461 1.000 -13.185 33.469 -4.717 -99.200 -91.000 PHE 464 1.000 -19.166 28.632 -5.375 -99.200 -91.000 TRP 465 1.040 -22.661 30.842 -8.062 -99.200 -91.000 TRP6 465 1.020 -23.719 29.105 -6.843 -99.200 -91.000 TYR 470 0.840 -24.934 30.558 -13.930 -99.200 -91.000 TYR 471 0.840 -27.714 24.566 -20.442 -99.200 -91.000 HIS 490 0.900 -22.262 25.508 -39.551 -99.200 -91.000 PHE 502 1.000 -27.033 13.087 -24.250 -99.200 -91.000 HIS 520 0.900 -30.619 3.344 8.092 -99.200 -91.000 PHE 522 1.000 -20.356 4.679 3.501 -99.200 -91.000 HIS 527 0.900 -21.842 9.172 11.411 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oa1A1 SER 2 HA 0.01 -0.08 0.09 -0.75 4.49 3.75 2oa1A1 SER 2 HB2 0.01 0.04 0.06 -0.04 3.95 4.02 2oa1A1 SER 2 HB3 0.01 -0.25 0.16 -0.04 3.93 3.81 2oa1A1 GLY 3 H 0.02 0.01 0.06 -0.55 8.43 7.97 2oa1A1 GLY 3 HA2 0.02 -0.02 0.42 -0.51 4.01 3.91 2oa1A1 GLY 3 HA3 0.02 0.25 0.76 -0.51 4.01 4.53 2oa1A1 LYS 4 H 0.03 0.12 0.13 -0.55 8.42 8.15 2oa1A1 LYS 4 HA 0.05 -0.02 0.60 -0.75 4.32 4.20 2oa1A1 LYS 4 HB2 0.07 0.13 0.16 -0.04 1.87 2.19 2oa1A1 LYS 4 HB3 0.04 -0.05 0.14 -0.04 1.79 1.89 2oa1A1 LYS 4 HG2 0.02 -0.13 0.06 -0.04 1.46 1.37 2oa1A1 LYS 4 HG3 0.03 0.09 -0.32 -0.04 1.46 1.22 2oa1A1 LYS 4 HD2 0.03 0.13 0.07 -0.04 1.69 1.87 2oa1A1 LYS 4 HD3 0.02 -0.09 0.06 -0.04 1.68 1.62 2oa1A1 LYS 4 HE2 0.00 0.01 0.10 -0.04 2.99 3.06 2oa1A1 LYS 4 HE3 0.01 -0.13 0.04 -0.04 2.99 2.86 2oa1A1 ILE 5 H 0.10 0.18 0.15 -0.55 8.25 8.12 2oa1A1 ILE 5 HA 0.02 -0.01 0.55 -0.75 4.18 3.99 2oa1A1 ILE 5 HB 0.27 0.08 0.09 -0.04 1.89 2.28 2oa1A1 ILE 5 HG12 -0.01 0.09 -0.07 -0.04 1.49 1.46 2oa1A1 ILE 5 HG13 -0.22 0.04 -0.10 -0.04 1.21 0.88 2oa1A1 ILE 5 HG23 0.07 -0.02 -0.27 -0.04 0.93 0.67 2oa1A1 ILE 5 HD13 -0.05 -0.00 -0.27 -0.04 0.88 0.51 2oa1A1 ASP 6 H 0.01 0.06 0.19 -0.55 8.40 8.10 2oa1A1 ASP 6 HA 0.01 0.38 1.02 -0.75 4.63 5.29 2oa1A1 ASP 6 HB2 0.00 -0.05 0.10 -0.04 2.71 2.71 2oa1A1 ASP 6 HB3 0.00 -0.02 0.03 -0.04 2.70 2.67 2oa1A1 LYS 7 H -0.03 0.03 0.18 -0.55 8.42 8.05 2oa1A1 LYS 7 HA -0.04 0.40 1.10 -0.75 4.32 5.02 2oa1A1 LYS 7 HB2 -0.05 -0.17 0.13 -0.04 1.87 1.75 2oa1A1 LYS 7 HB3 -0.07 0.12 0.05 -0.04 1.79 1.85 2oa1A1 LYS 7 HG2 -0.01 0.09 0.01 -0.04 1.46 1.51 2oa1A1 LYS 7 HG3 -0.01 -0.06 -0.29 -0.04 1.46 1.06 2oa1A1 LYS 7 HD2 0.00 -0.00 -0.06 -0.04 1.69 1.59 2oa1A1 LYS 7 HD3 -0.01 -0.06 -0.10 -0.04 1.68 1.47 2oa1A1 LYS 7 HE2 0.00 0.16 0.02 -0.04 2.99 3.13 2oa1A1 LYS 7 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 2oa1A1 ILE 8 H -0.07 0.87 0.37 -0.55 8.25 8.87 2oa1A1 ILE 8 HA -0.21 0.24 1.06 -0.75 4.18 4.51 2oa1A1 ILE 8 HB -0.06 -0.01 -0.02 -0.04 1.89 1.76 2oa1A1 ILE 8 HG12 -0.01 0.01 -0.15 -0.04 1.49 1.30 2oa1A1 ILE 8 HG13 -0.01 -0.12 -0.56 -0.04 1.21 0.48 2oa1A1 ILE 8 HG23 -0.10 -0.01 -0.26 -0.04 0.93 0.52 2oa1A1 ILE 8 HD13 0.09 0.02 -0.22 -0.04 0.88 0.73 2oa1A1 LEU 9 H -0.41 0.57 0.29 -0.55 8.37 8.28 2oa1A1 LEU 9 HA -0.14 0.28 1.06 -0.75 4.35 4.80 2oa1A1 LEU 9 HB2 -0.17 0.07 -0.17 -0.04 1.64 1.33 2oa1A1 LEU 9 HB3 -0.36 -0.05 -0.01 -0.04 1.64 1.18 2oa1A1 LEU 9 HG -0.04 -0.00 -0.41 -0.04 1.64 1.15 2oa1A1 LEU 9 HD13 -0.17 0.03 -0.12 -0.04 0.93 0.62 2oa1A1 LEU 9 HD23 0.23 -0.02 -0.19 -0.04 0.89 0.86 2oa1A1 ILE 10 H -0.14 0.81 0.35 -0.55 8.25 8.72 2oa1A1 ILE 10 HA -0.10 0.15 1.00 -0.75 4.18 4.48 2oa1A1 ILE 10 HB -0.23 -0.01 0.20 -0.04 1.89 1.81 2oa1A1 ILE 10 HG12 -0.12 -0.03 -0.08 -0.04 1.49 1.22 2oa1A1 ILE 10 HG13 -0.12 -0.02 -0.23 -0.04 1.21 0.79 2oa1A1 ILE 10 HG23 -0.23 0.01 -0.10 -0.04 0.93 0.57 2oa1A1 ILE 10 HD13 -0.13 0.03 -0.21 -0.04 0.88 0.52 2oa1A1 VAL 11 H -0.06 0.62 0.34 -0.55 8.24 8.60 2oa1A1 VAL 11 HA -0.09 0.24 1.05 -0.75 4.13 4.56 2oa1A1 VAL 11 HB -0.02 -0.13 0.19 -0.04 2.12 2.12 2oa1A1 VAL 11 HG13 -0.03 -0.02 -0.10 -0.04 0.97 0.78 2oa1A1 VAL 11 HG23 0.02 0.02 -0.15 -0.04 0.95 0.81 2oa1A1 GLY 12 H -0.11 0.85 0.24 -0.55 8.43 8.86 2oa1A1 GLY 12 HA2 -0.07 -0.13 0.42 -0.51 4.01 3.72 2oa1A1 GLY 12 HA3 -0.09 0.26 0.64 -0.51 4.01 4.30 2oa1A1 GLY 13 H -0.05 0.05 0.05 -0.55 8.43 7.94 2oa1A1 GLY 13 HA2 -0.60 0.19 0.64 -0.51 4.01 3.72 2oa1A1 GLY 13 HA3 0.01 0.02 0.33 -0.51 4.01 3.85 2oa1A1 GLY 14 H 0.25 0.15 0.07 -0.55 8.43 8.36 2oa1A1 GLY 14 HA2 0.16 0.07 0.35 -0.51 4.01 4.07 2oa1A1 GLY 14 HA3 0.06 0.05 0.44 -0.51 4.01 4.04 2oa1A1 THR 15 H 0.04 0.12 0.13 -0.55 8.28 8.02 2oa1A1 THR 15 HA 0.13 0.10 0.17 -0.75 4.39 4.04 2oa1A1 THR 15 HB 0.02 -0.04 0.10 -0.04 4.32 4.37 2oa1A1 THR 15 HG23 0.04 0.02 -0.12 -0.04 1.22 1.12 2oa1A1 ALA 16 H -0.01 0.05 -0.02 -0.55 8.40 7.87 2oa1A1 ALA 16 HA -0.04 0.06 0.38 -0.75 4.34 3.98 2oa1A1 ALA 16 HB3 -0.05 0.02 0.05 -0.04 1.41 1.39 2oa1A1 GLY 17 H -0.10 0.28 -0.22 -0.55 8.43 7.85 2oa1A1 GLY 17 HA2 -0.21 0.00 0.36 -0.51 4.01 3.66 2oa1A1 GLY 17 HA3 -0.35 0.39 0.25 -0.51 4.01 3.79 2oa1A1 TRP 18 H -0.02 0.49 -0.26 -0.55 7.97 7.62 2oa1A1 TRP 18 HA 0.00 0.07 0.36 -0.75 4.62 4.30 2oa1A1 TRP 18 HB2 0.02 0.02 0.01 -0.04 3.23 3.24 2oa1A1 TRP 18 HB3 0.04 -0.03 -0.13 -0.04 3.23 3.07 2oa1A1 TRP 18 HD1 -0.00 -0.07 -0.10 -0.04 7.22 7.01 2oa1A1 TRP 18 HE1 -0.09 -0.07 -0.05 -0.04 10.20 9.95 2oa1A1 TRP 18 HE3 -0.03 -0.03 -0.06 -0.04 7.59 7.42 2oa1A1 TRP 18 HZ2 -1.31 -0.01 -0.10 -0.04 7.44 5.98 2oa1A1 TRP 18 HZ3 -0.10 0.04 -0.13 -0.04 7.13 6.91 2oa1A1 TRP 18 HH2 -0.33 0.06 -0.14 -0.04 7.19 6.74 2oa1A1 MET 19 H 0.12 0.51 -0.23 -0.55 8.47 8.31 2oa1A1 MET 19 HA 0.32 0.06 0.56 -0.75 4.52 4.70 2oa1A1 MET 19 HB2 -0.04 0.10 0.11 -0.04 2.15 2.28 2oa1A1 MET 19 HB3 -0.10 -0.05 -0.08 -0.04 2.03 1.75 2oa1A1 MET 19 HG2 -0.38 -0.01 -0.04 -0.04 2.63 2.16 2oa1A1 MET 19 HG3 -0.06 0.15 0.01 -0.04 2.56 2.63 2oa1A1 MET 19 HE3 -0.73 -0.01 -0.06 -0.04 2.10 1.25 2oa1A1 ALA 20 H 0.01 0.55 -0.16 -0.55 8.40 8.25 2oa1A1 ALA 20 HA 0.06 0.00 0.37 -0.75 4.34 4.02 2oa1A1 ALA 20 HB3 -0.06 0.03 0.04 -0.04 1.41 1.37 2oa1A1 ALA 21 H 0.00 0.54 -0.18 -0.55 8.40 8.22 2oa1A1 ALA 21 HA 0.01 0.02 0.23 -0.75 4.34 3.84 2oa1A1 ALA 21 HB3 0.07 0.02 -0.01 -0.04 1.41 1.44 2oa1A1 SER 22 H 0.27 0.47 -0.21 -0.55 8.46 8.43 2oa1A1 SER 22 HA 0.19 0.06 0.44 -0.75 4.49 4.42 2oa1A1 SER 22 HB2 0.35 0.00 0.17 -0.04 3.95 4.43 2oa1A1 SER 22 HB3 0.27 -0.01 -0.04 -0.04 3.93 4.10 2oa1A1 TYR 23 H 0.34 0.68 -0.08 -0.55 8.29 8.68 2oa1A1 TYR 23 HA 0.18 0.06 0.39 -0.75 4.56 4.44 2oa1A1 TYR 23 HB2 0.23 0.04 0.09 -0.04 3.06 3.38 2oa1A1 TYR 23 HB3 0.07 -0.02 0.03 -0.04 2.98 3.02 2oa1A1 TYR 23 HD2 0.01 -0.01 -0.15 -0.04 7.15 6.95 2oa1A1 TYR 23 HE2 -0.38 0.13 -0.01 -0.04 6.85 6.54 2oa1A1 LEU 24 H 0.17 0.66 -0.08 -0.55 8.37 8.58 2oa1A1 LEU 24 HA 0.04 0.04 0.51 -0.75 4.35 4.19 2oa1A1 LEU 24 HB2 0.03 0.08 -0.00 -0.04 1.64 1.70 2oa1A1 LEU 24 HB3 -0.01 -0.02 -0.10 -0.04 1.64 1.46 2oa1A1 LEU 24 HG 0.10 -0.01 0.02 -0.04 1.64 1.71 2oa1A1 LEU 24 HD13 -0.00 -0.03 -0.14 -0.04 0.93 0.72 2oa1A1 LEU 24 HD23 0.04 0.00 -0.10 -0.04 0.89 0.79 2oa1A1 GLY 25 H 0.05 0.49 -0.25 -0.55 8.43 8.18 2oa1A1 GLY 25 HA2 -0.04 -0.01 0.36 -0.51 4.01 3.81 2oa1A1 GLY 25 HA3 -0.02 0.10 0.32 -0.51 4.01 3.90 2oa1A1 LYS 26 H 0.00 0.39 -0.34 -0.55 8.42 7.93 2oa1A1 LYS 26 HA -0.12 0.07 0.53 -0.75 4.32 4.05 2oa1A1 LYS 26 HB2 -0.04 0.00 0.10 -0.04 1.87 1.89 2oa1A1 LYS 26 HB3 -0.10 0.02 0.13 -0.04 1.79 1.80 2oa1A1 LYS 26 HG2 -0.66 0.10 -0.07 -0.04 1.46 0.79 2oa1A1 LYS 26 HG3 -0.53 -0.04 -0.13 -0.04 1.46 0.72 2oa1A1 LYS 26 HD2 -0.14 -0.04 0.07 -0.04 1.69 1.53 2oa1A1 LYS 26 HD3 -0.05 0.02 0.06 -0.04 1.68 1.67 2oa1A1 LYS 26 HE2 -0.25 0.09 -0.13 -0.04 2.99 2.66 2oa1A1 LYS 26 HE3 -0.35 -0.05 -0.00 -0.04 2.99 2.55 2oa1A1 ALA 27 H -0.00 0.51 -0.04 -0.55 8.40 8.32 2oa1A1 ALA 27 HA 0.01 0.02 0.25 -0.75 4.34 3.87 2oa1A1 ALA 27 HB3 0.02 -0.03 0.08 -0.04 1.41 1.45 2oa1A1 LEU 28 H -0.09 0.53 -0.29 -0.55 8.37 7.96 2oa1A1 LEU 28 HA -0.14 0.18 0.83 -0.75 4.35 4.48 2oa1A1 LEU 28 HB2 -0.12 0.04 -0.08 -0.04 1.64 1.44 2oa1A1 LEU 28 HB3 -0.15 -0.06 -0.01 -0.04 1.64 1.38 2oa1A1 LEU 28 HG -0.25 0.03 -0.07 -0.04 1.64 1.30 2oa1A1 LEU 28 HD13 -0.27 -0.03 -0.14 -0.04 0.93 0.45 2oa1A1 LEU 28 HD23 -0.65 0.03 -0.17 -0.04 0.89 0.05 2oa1A1 GLN 29 H -0.09 0.37 -0.39 -0.55 8.47 7.80 2oa1A1 GLN 29 HA -0.07 0.01 0.33 -0.75 4.36 3.88 2oa1A1 GLN 29 HB2 -0.10 0.21 0.29 -0.04 2.15 2.51 2oa1A1 GLN 29 HB3 -0.09 -0.08 0.14 -0.04 2.02 1.95 2oa1A1 GLN 29 HG2 -0.07 -0.09 -0.07 -0.04 2.40 2.13 2oa1A1 GLN 29 HG3 -0.09 0.03 0.13 -0.04 2.39 2.43 2oa1A1 GLN 29 HE21 -0.10 -0.01 0.06 -0.04 6.97 6.88 2oa1A1 GLN 29 HE22 -0.09 -0.02 0.06 -0.04 7.69 7.59 2oa1A1 GLY 30 H -0.05 0.16 0.23 -0.55 8.43 8.22 2oa1A1 GLY 30 HA2 -0.04 -0.03 0.37 -0.51 4.01 3.81 2oa1A1 GLY 30 HA3 -0.04 0.07 0.42 -0.51 4.01 3.95 2oa1A1 THR 31 H -0.05 0.45 -0.07 -0.55 8.28 8.06 2oa1A1 THR 31 HA -0.02 0.10 0.85 -0.75 4.39 4.56 2oa1A1 THR 31 HB -0.02 -0.12 0.16 -0.04 4.32 4.30 2oa1A1 THR 31 HG23 -0.03 0.03 -0.19 -0.04 1.22 0.99 2oa1A1 ALA 32 H -0.04 0.13 0.10 -0.55 8.40 8.05 2oa1A1 ALA 32 HA -0.01 0.20 0.46 -0.75 4.34 4.24 2oa1A1 ALA 32 HB3 -0.02 0.00 -0.19 -0.04 1.41 1.17 2oa1A1 ASP 33 H -0.01 0.84 0.32 -0.55 8.40 9.00 2oa1A1 ASP 33 HA -0.02 0.15 0.88 -0.75 4.63 4.89 2oa1A1 ASP 33 HB2 -0.01 -0.02 0.24 -0.04 2.71 2.89 2oa1A1 ASP 33 HB3 -0.00 -0.02 0.04 -0.04 2.70 2.68 2oa1A1 ILE 34 H -0.02 0.30 0.18 -0.55 8.25 8.17 2oa1A1 ILE 34 HA -0.05 0.28 1.03 -0.75 4.18 4.69 2oa1A1 ILE 34 HB -0.02 0.02 0.06 -0.04 1.89 1.92 2oa1A1 ILE 34 HG12 -0.03 -0.04 -0.29 -0.04 1.49 1.09 2oa1A1 ILE 34 HG13 -0.03 0.06 -0.43 -0.04 1.21 0.76 2oa1A1 ILE 34 HG23 -0.05 -0.02 -0.21 -0.04 0.93 0.60 2oa1A1 ILE 34 HD13 -0.02 0.02 -0.27 -0.04 0.88 0.57 2oa1A1 THR 35 H -0.06 0.64 0.40 -0.55 8.28 8.70 2oa1A1 THR 35 HA -0.00 0.24 0.95 -0.75 4.39 4.82 2oa1A1 THR 35 HB -0.05 -0.04 0.12 -0.04 4.32 4.31 2oa1A1 THR 35 HG23 -0.11 -0.02 -0.20 -0.04 1.22 0.84 2oa1A1 LEU 36 H -0.02 0.88 0.33 -0.55 8.37 9.01 2oa1A1 LEU 36 HA -0.22 0.23 1.02 -0.75 4.35 4.62 2oa1A1 LEU 36 HB2 -0.46 0.00 -0.06 -0.04 1.64 1.08 2oa1A1 LEU 36 HB3 -0.42 -0.01 0.05 -0.04 1.64 1.22 2oa1A1 LEU 36 HG -0.45 0.09 -0.11 -0.04 1.64 1.13 2oa1A1 LEU 36 HD13 -1.53 -0.00 -0.18 -0.04 0.93 -0.83 2oa1A1 LEU 36 HD23 -0.48 -0.05 -0.51 -0.04 0.89 -0.19 2oa1A1 LEU 37 H -0.18 0.76 0.31 -0.55 8.37 8.72 2oa1A1 LEU 37 HA -0.12 0.32 0.99 -0.75 4.35 4.78 2oa1A1 LEU 37 HB2 -0.41 0.02 -0.10 -0.04 1.64 1.10 2oa1A1 LEU 37 HB3 -0.19 0.03 0.13 -0.04 1.64 1.56 2oa1A1 LEU 37 HG -0.11 -0.09 -0.21 -0.04 1.64 1.19 2oa1A1 LEU 37 HD13 -0.20 -0.00 -0.21 -0.04 0.93 0.47 2oa1A1 LEU 37 HD23 -0.27 -0.01 -0.19 -0.04 0.89 0.38 2oa1A1 GLN 38 H -0.00 0.70 0.37 -0.55 8.47 8.99 2oa1A1 GLN 38 HA -0.01 -0.02 0.72 -0.75 4.36 4.29 2oa1A1 GLN 38 HB2 0.06 -0.13 0.04 -0.04 2.15 2.08 2oa1A1 GLN 38 HB3 -0.00 0.04 -0.36 -0.04 2.02 1.65 2oa1A1 GLN 38 HG2 0.43 0.11 -0.09 -0.04 2.40 2.81 2oa1A1 GLN 38 HG3 0.19 0.03 -0.28 -0.04 2.39 2.29 2oa1A1 GLN 38 HE21 0.28 -0.09 -0.03 -0.04 6.97 7.10 2oa1A1 GLN 38 HE22 0.18 0.13 -0.19 -0.04 7.69 7.76 2oa1A1 ALA 39 H 0.02 0.05 0.13 -0.55 8.40 8.06 2oa1A1 ALA 39 HA 0.03 0.13 0.44 -0.75 4.34 4.19 2oa1A1 ALA 39 HB3 0.02 0.00 0.00 -0.04 1.41 1.40 2oa1A1 PRO 40 HA 0.07 0.01 0.58 -0.51 4.44 4.60 2oa1A1 PRO 40 HB2 0.04 0.02 0.05 -0.04 2.28 2.35 2oa1A1 PRO 40 HB3 0.05 0.04 0.07 -0.04 2.02 2.14 2oa1A1 PRO 40 HG2 0.03 0.06 0.04 -0.04 2.03 2.12 2oa1A1 PRO 40 HG3 0.04 0.05 0.05 -0.04 2.03 2.13 2oa1A1 PRO 40 HD2 0.03 0.04 0.10 -0.04 3.68 3.80 2oa1A1 PRO 40 HD3 0.03 0.26 0.19 -0.04 3.65 4.09 2oa1A1 ASP 41 H 0.07 0.20 0.18 -0.55 8.40 8.29 2oa1A1 ASP 41 HA 0.04 0.14 0.63 -0.75 4.63 4.69 2oa1A1 ASP 41 HB2 0.04 -0.04 0.09 -0.04 2.71 2.76 2oa1A1 ASP 41 HB3 0.04 0.04 -0.33 -0.04 2.70 2.41 2oa1A1 ILE 42 H 0.04 0.09 0.10 -0.55 8.25 7.93 2oa1A1 ILE 42 HA 0.04 0.08 0.34 -0.75 4.18 3.89 2oa1A1 ILE 42 HB 0.04 -0.06 0.13 -0.04 1.89 1.96 2oa1A1 ILE 42 HG12 0.03 0.04 0.06 -0.04 1.49 1.58 2oa1A1 ILE 42 HG13 0.03 -0.07 0.12 -0.04 1.21 1.24 2oa1A1 ILE 42 HG23 0.03 0.03 -0.05 -0.04 0.93 0.90 2oa1A1 ILE 42 HD13 0.02 0.00 0.04 -0.04 0.88 0.91 2oa1A1 PRO 43 HA 0.10 0.03 0.66 -0.51 4.44 4.71 2oa1A1 PRO 43 HB2 -0.04 0.07 0.01 -0.04 2.28 2.27 2oa1A1 PRO 43 HB3 0.02 -0.04 0.13 -0.04 2.02 2.10 2oa1A1 PRO 43 HG2 0.01 0.03 0.06 -0.04 2.03 2.09 2oa1A1 PRO 43 HG3 0.04 0.06 0.09 -0.04 2.03 2.18 2oa1A1 PRO 43 HD2 0.02 0.08 0.20 -0.04 3.68 3.95 2oa1A1 PRO 43 HD3 0.03 0.07 0.18 -0.04 3.65 3.90 2oa1A1 THR 44 H 0.17 0.03 0.15 -0.55 8.28 8.08 2oa1A1 THR 44 HA 0.07 0.25 0.91 -0.75 4.39 4.87 2oa1A1 THR 44 HB 0.15 -0.01 0.13 -0.04 4.32 4.56 2oa1A1 THR 44 HG23 0.12 0.02 -0.07 -0.04 1.22 1.24 2oa1A1 LEU 45 H 0.09 0.13 0.07 -0.55 8.37 8.11 2oa1A1 LEU 45 HA 0.04 0.10 0.52 -0.75 4.35 4.26 2oa1A1 LEU 45 HB2 0.09 -0.02 0.01 -0.04 1.64 1.68 2oa1A1 LEU 45 HB3 0.10 0.01 -0.25 -0.04 1.64 1.46 2oa1A1 LEU 45 HG 0.04 0.02 -0.04 -0.04 1.64 1.62 2oa1A1 LEU 45 HD13 0.05 -0.01 -0.03 -0.04 0.93 0.90 2oa1A1 LEU 45 HD23 0.02 0.02 0.03 -0.04 0.89 0.92 2oa1A1 GLY 46 H 0.08 0.22 0.08 -0.55 8.43 8.26 2oa1A1 GLY 46 HA2 0.34 -0.03 0.65 -0.51 4.01 4.47 2oa1A1 GLY 46 HA3 0.20 0.03 0.37 -0.51 4.01 4.11 2oa1A1 VAL 47 H 0.25 0.19 0.07 -0.55 8.24 8.20 2oa1A1 VAL 47 HA 0.24 0.23 0.38 -0.75 4.13 4.23 2oa1A1 VAL 47 HB 0.65 0.08 0.05 -0.04 2.12 2.87 2oa1A1 VAL 47 HG13 0.22 0.02 -0.28 -0.04 0.97 0.88 2oa1A1 VAL 47 HG23 0.36 0.02 -0.08 -0.04 0.95 1.21 2oa1A1 GLY 48 H 0.19 -0.18 -0.21 -0.55 8.43 7.68 2oa1A1 GLY 48 HA2 0.11 0.02 0.24 -0.51 4.01 3.88 2oa1A1 GLY 48 HA3 0.14 0.20 0.22 -0.51 4.01 4.06 2oa1A1 GLU 49 H -0.08 0.70 0.35 -0.55 8.60 9.02 2oa1A1 GLU 49 HA -0.19 0.15 0.82 -0.75 4.29 4.32 2oa1A1 GLU 49 HB2 -0.37 0.01 -0.01 -0.04 2.09 1.68 2oa1A1 GLU 49 HB3 -0.11 -0.02 0.11 -0.04 1.99 1.94 2oa1A1 GLU 49 HG2 0.02 -0.16 -0.14 -0.04 2.34 2.02 2oa1A1 GLU 49 HG3 0.10 -0.07 -0.01 -0.04 2.34 2.32 2oa1A1 ALA 50 H -0.09 0.12 0.18 -0.55 8.40 8.07 2oa1A1 ALA 50 HA 0.23 0.33 0.96 -0.75 4.34 5.11 2oa1A1 ALA 50 HB3 0.17 0.02 0.06 -0.04 1.41 1.62 2oa1A1 THR 51 H 0.21 0.33 0.23 -0.55 8.28 8.50 2oa1A1 THR 51 HA 0.20 0.16 0.91 -0.75 4.39 4.90 2oa1A1 THR 51 HB 0.44 -0.11 0.16 -0.04 4.32 4.77 2oa1A1 THR 51 HG23 0.23 -0.02 -0.30 -0.04 1.22 1.09 2oa1A1 ILE 52 H 0.30 0.13 0.23 -0.55 8.25 8.36 2oa1A1 ILE 52 HA -0.22 0.26 0.76 -0.75 4.18 4.23 2oa1A1 ILE 52 HB 0.04 0.05 0.10 -0.04 1.89 2.05 2oa1A1 ILE 52 HG12 0.27 -0.09 0.09 -0.04 1.49 1.72 2oa1A1 ILE 52 HG13 0.25 -0.23 -0.10 -0.04 1.21 1.09 2oa1A1 ILE 52 HG23 0.27 0.05 -0.19 -0.04 0.93 1.02 2oa1A1 ILE 52 HD13 0.00 0.05 -0.03 -0.04 0.88 0.86 2oa1A1 PRO 53 HA -0.21 0.14 0.43 -0.51 4.44 4.30 2oa1A1 PRO 53 HB2 -0.84 0.01 0.06 -0.04 2.28 1.46 2oa1A1 PRO 53 HB3 -0.68 0.10 0.16 -0.04 2.02 1.56 2oa1A1 PRO 53 HG2 -1.41 -0.01 0.02 -0.04 2.03 0.59 2oa1A1 PRO 53 HG3 -1.30 0.16 -0.18 -0.04 2.03 0.67 2oa1A1 PRO 53 HD2 -0.59 0.12 0.16 -0.04 3.68 3.33 2oa1A1 PRO 53 HD3 -1.98 0.19 0.14 -0.04 3.65 1.96 2oa1A1 ASN 54 H 0.15 0.14 -0.30 -0.55 8.53 7.97 2oa1A1 ASN 54 HA 0.20 0.15 0.48 -0.75 4.76 4.84 2oa1A1 ASN 54 HB2 0.42 -0.00 0.11 -0.04 2.88 3.37 2oa1A1 ASN 54 HB3 0.34 0.09 0.05 -0.04 2.79 3.23 2oa1A1 ASN 54 HD21 0.49 0.03 -0.08 -0.04 7.03 7.44 2oa1A1 ASN 54 HD22 0.38 0.06 -0.06 -0.04 7.74 8.09 2oa1A1 LEU 55 H 0.33 0.50 -0.31 -0.55 8.37 8.34 2oa1A1 LEU 55 HA -0.46 0.04 0.49 -0.75 4.35 3.66 2oa1A1 LEU 55 HB2 0.32 -0.05 0.11 -0.04 1.64 1.97 2oa1A1 LEU 55 HB3 0.35 0.07 0.06 -0.04 1.64 2.09 2oa1A1 LEU 55 HG -0.20 0.01 -0.24 -0.04 1.64 1.18 2oa1A1 LEU 55 HD13 -0.31 -0.02 -0.04 -0.04 0.93 0.53 2oa1A1 LEU 55 HD23 0.07 0.00 -0.10 -0.04 0.89 0.82 2oa1A1 GLN 56 H 0.27 0.40 -0.05 -0.55 8.47 8.54 2oa1A1 GLN 56 HA 0.09 0.04 0.63 -0.75 4.36 4.37 2oa1A1 GLN 56 HB2 0.12 -0.00 0.11 -0.04 2.15 2.34 2oa1A1 GLN 56 HB3 0.30 0.12 0.15 -0.04 2.02 2.54 2oa1A1 GLN 56 HG2 0.22 0.02 -0.00 -0.04 2.40 2.59 2oa1A1 GLN 56 HG3 0.14 0.04 -0.17 -0.04 2.39 2.36 2oa1A1 GLN 56 HE21 0.17 0.39 -0.06 -0.04 6.97 7.42 2oa1A1 GLN 56 HE22 0.12 0.02 -0.09 -0.04 7.69 7.70 2oa1A1 THR 57 H 0.14 0.18 -0.05 -0.55 8.28 8.00 2oa1A1 THR 57 HA 0.09 0.10 0.27 -0.75 4.39 4.10 2oa1A1 THR 57 HB 0.12 0.04 0.04 -0.04 4.32 4.48 2oa1A1 THR 57 HG23 0.12 -0.00 0.00 -0.04 1.22 1.30 2oa1A1 ALA 58 H 0.03 0.55 0.03 -0.55 8.40 8.46 2oa1A1 ALA 58 HA -0.03 0.14 0.64 -0.75 4.34 4.33 2oa1A1 ALA 58 HB3 -0.31 0.00 0.02 -0.04 1.41 1.08 2oa1A1 PHE 59 H -0.15 0.18 -0.32 -0.55 8.34 7.49 2oa1A1 PHE 59 HA -0.13 0.28 1.07 -0.75 4.62 5.09 2oa1A1 PHE 59 HB2 -0.98 -0.07 -0.07 -0.04 3.15 1.98 2oa1A1 PHE 59 HB3 -0.85 0.14 0.21 -0.04 3.06 2.52 2oa1A1 PHE 59 HD2 -0.94 0.02 -0.03 -0.04 7.28 6.28 2oa1A1 PHE 59 HE2 -0.60 0.04 -0.05 -0.04 7.38 6.73 2oa1A1 PHE 59 HZ -0.15 0.00 -0.04 -0.04 7.32 7.09 2oa1A1 PHE 60 H -0.16 0.50 0.28 -0.55 8.34 8.41 2oa1A1 PHE 60 HA -0.53 0.04 0.34 -0.75 4.62 3.72 2oa1A1 PHE 60 HB2 -0.25 -0.04 0.17 -0.04 3.15 3.00 2oa1A1 PHE 60 HB3 -0.17 0.27 0.06 -0.04 3.06 3.18 2oa1A1 PHE 60 HD2 -0.64 0.01 -0.08 -0.04 7.28 6.54 2oa1A1 PHE 60 HE2 -0.91 -0.02 -0.11 -0.04 7.38 6.30 2oa1A1 PHE 60 HZ -0.73 -0.04 -0.10 -0.04 7.32 6.41 2oa1A1 ASP 61 H 0.02 0.60 -0.09 -0.55 8.40 8.38 2oa1A1 ASP 61 HA 0.02 0.00 0.39 -0.75 4.63 4.29 2oa1A1 ASP 61 HB2 0.06 0.19 0.11 -0.04 2.71 3.03 2oa1A1 ASP 61 HB3 0.05 0.00 -0.05 -0.04 2.70 2.66 2oa1A1 PHE 62 H 0.05 0.07 -0.56 -0.55 8.34 7.35 2oa1A1 PHE 62 HA -0.11 0.06 0.49 -0.75 4.62 4.31 2oa1A1 PHE 62 HB2 -0.08 0.03 0.00 -0.04 3.15 3.07 2oa1A1 PHE 62 HB3 -0.26 0.11 0.05 -0.04 3.06 2.93 2oa1A1 PHE 62 HD2 -0.39 -0.03 -0.06 -0.04 7.28 6.75 2oa1A1 PHE 62 HE2 -0.47 0.05 0.03 -0.04 7.38 6.94 2oa1A1 PHE 62 HZ -0.32 0.01 -0.00 -0.04 7.32 6.97 2oa1A1 LEU 63 H -0.23 0.31 -0.27 -0.55 8.37 7.64 2oa1A1 LEU 63 HA -0.22 0.11 0.42 -0.75 4.35 3.90 2oa1A1 LEU 63 HB2 -0.37 -0.00 0.04 -0.04 1.64 1.27 2oa1A1 LEU 63 HB3 -0.38 -0.02 0.02 -0.04 1.64 1.21 2oa1A1 LEU 63 HG -0.77 0.17 -0.05 -0.04 1.64 0.95 2oa1A1 LEU 63 HD13 -0.64 -0.05 -0.10 -0.04 0.93 0.10 2oa1A1 LEU 63 HD23 -0.02 -0.01 -0.26 -0.04 0.89 0.56 2oa1A1 GLY 64 H -0.13 0.19 -0.59 -0.55 8.43 7.35 2oa1A1 GLY 64 HA2 -0.06 0.02 0.25 -0.51 4.01 3.70 2oa1A1 GLY 64 HA3 -0.06 0.11 0.62 -0.51 4.01 4.16 2oa1A1 ILE 65 H -0.05 0.62 0.02 -0.55 8.25 8.29 2oa1A1 ILE 65 HA -0.01 0.23 0.81 -0.75 4.18 4.46 2oa1A1 ILE 65 HB 0.10 -0.07 0.08 -0.04 1.89 1.96 2oa1A1 ILE 65 HG12 -0.26 0.05 -0.17 -0.04 1.49 1.07 2oa1A1 ILE 65 HG13 -0.37 0.08 -0.47 -0.04 1.21 0.41 2oa1A1 ILE 65 HG23 0.17 -0.01 -0.15 -0.04 0.93 0.90 2oa1A1 ILE 65 HD13 -0.93 -0.02 -0.10 -0.04 0.88 -0.21 2oa1A1 PRO 66 HA 0.04 0.08 0.36 -0.51 4.44 4.41 2oa1A1 PRO 66 HB2 -0.02 -0.13 0.01 -0.04 2.28 2.09 2oa1A1 PRO 66 HB3 0.01 0.11 0.08 -0.04 2.02 2.18 2oa1A1 PRO 66 HG2 -0.01 -0.10 0.08 -0.04 2.03 1.96 2oa1A1 PRO 66 HG3 0.00 0.12 0.07 -0.04 2.03 2.19 2oa1A1 PRO 66 HD2 0.02 0.09 0.23 -0.04 3.68 3.99 2oa1A1 PRO 66 HD3 0.01 0.34 0.15 -0.04 3.65 4.10 2oa1A1 GLU 67 H 0.03 0.18 0.14 -0.55 8.60 8.40 2oa1A1 GLU 67 HA -0.24 0.06 0.33 -0.75 4.29 3.69 2oa1A1 GLU 67 HB2 0.13 0.02 0.11 -0.04 2.09 2.30 2oa1A1 GLU 67 HB3 0.04 0.00 0.10 -0.04 1.99 2.09 2oa1A1 GLU 67 HG2 -0.10 0.05 -0.30 -0.04 2.34 1.95 2oa1A1 GLU 67 HG3 -0.23 -0.05 -0.04 -0.04 2.34 1.99 2oa1A1 ASP 68 H -0.11 0.08 -0.17 -0.55 8.40 7.66 2oa1A1 ASP 68 HA -0.23 0.09 0.32 -0.75 4.63 4.06 2oa1A1 ASP 68 HB2 -0.08 -0.08 0.03 -0.04 2.71 2.54 2oa1A1 ASP 68 HB3 -0.10 0.10 -0.13 -0.04 2.70 2.53 2oa1A1 GLU 69 H -0.13 0.11 -0.33 -0.55 8.60 7.70 2oa1A1 GLU 69 HA -0.09 0.08 0.37 -0.75 4.29 3.89 2oa1A1 GLU 69 HB2 -0.01 -0.01 0.07 -0.04 2.09 2.10 2oa1A1 GLU 69 HB3 0.00 0.10 0.08 -0.04 1.99 2.13 2oa1A1 GLU 69 HG2 0.21 -0.02 -0.27 -0.04 2.34 2.22 2oa1A1 GLU 69 HG3 0.09 -0.00 -0.01 -0.04 2.34 2.37 2oa1A1 TRP 70 H -0.23 0.38 -0.12 -0.55 7.97 7.45 2oa1A1 TRP 70 HA -1.20 0.06 0.36 -0.75 4.62 3.09 2oa1A1 TRP 70 HB2 -1.41 -0.06 -0.02 -0.04 3.23 1.69 2oa1A1 TRP 70 HB3 -1.00 0.05 -0.01 -0.04 3.23 2.23 2oa1A1 TRP 70 HD1 -0.80 0.21 -0.25 -0.04 7.22 6.34 2oa1A1 TRP 70 HE1 -0.72 -0.08 -0.05 -0.04 10.20 9.31 2oa1A1 TRP 70 HE3 -0.72 -0.04 -0.37 -0.04 7.59 6.43 2oa1A1 TRP 70 HZ2 -2.18 -0.05 -0.12 -0.04 7.44 5.05 2oa1A1 TRP 70 HZ3 -0.63 -0.03 -0.19 -0.04 7.13 6.24 2oa1A1 TRP 70 HH2 -0.27 -0.04 -0.16 -0.04 7.19 6.67 2oa1A1 MET 71 H -1.32 0.63 -0.17 -0.55 8.47 7.07 2oa1A1 MET 71 HA -1.08 -0.04 0.26 -0.75 4.52 2.90 2oa1A1 MET 71 HB2 -0.68 -0.04 -0.03 -0.04 2.15 1.36 2oa1A1 MET 71 HB3 -1.83 -0.02 0.01 -0.04 2.03 0.15 2oa1A1 MET 71 HG2 -0.36 -0.10 -0.20 -0.04 2.63 1.93 2oa1A1 MET 71 HG3 -0.55 0.12 0.04 -0.04 2.56 2.13 2oa1A1 MET 71 HE3 -0.18 -0.01 -0.18 -0.04 2.10 1.68 2oa1A1 ARG 72 H -0.37 0.47 -0.21 -0.55 8.46 7.81 2oa1A1 ARG 72 HA 0.04 0.06 0.60 -0.75 4.34 4.28 2oa1A1 ARG 72 HB2 -0.14 0.12 0.16 -0.04 1.90 2.00 2oa1A1 ARG 72 HB3 -0.05 -0.02 0.03 -0.04 1.80 1.71 2oa1A1 ARG 72 HG2 -0.29 0.01 0.03 -0.04 1.67 1.39 2oa1A1 ARG 72 HG3 -0.28 -0.00 0.07 -0.04 1.67 1.41 2oa1A1 ARG 72 HD2 -0.12 -0.06 0.00 -0.04 3.22 3.00 2oa1A1 ARG 72 HD3 -0.09 -0.02 0.05 -0.04 3.22 3.12 2oa1A1 GLU 73 H -0.18 0.43 -0.09 -0.55 8.60 8.21 2oa1A1 GLU 73 HA 0.01 0.06 0.57 -0.75 4.29 4.17 2oa1A1 GLU 73 HB2 -0.35 0.08 0.13 -0.04 2.09 1.91 2oa1A1 GLU 73 HB3 0.10 -0.08 0.03 -0.04 1.99 2.00 2oa1A1 GLU 73 HG2 0.02 0.00 0.06 -0.04 2.34 2.39 2oa1A1 GLU 73 HG3 0.17 0.00 -0.02 -0.04 2.34 2.45 2oa1A1 CYS 74 H -0.13 0.35 -0.44 -0.55 8.50 7.73 2oa1A1 CYS 74 HA 0.05 0.11 0.74 -0.75 4.58 4.72 2oa1A1 CYS 74 HB2 0.04 0.06 -0.03 -0.04 2.97 2.99 2oa1A1 CYS 74 HB3 0.04 -0.18 0.02 -0.04 2.97 2.82 2oa1A1 ASN 75 H 0.02 0.34 -0.39 -0.55 8.53 7.95 2oa1A1 ASN 75 HA -0.16 0.11 0.36 -0.75 4.76 4.32 2oa1A1 ASN 75 HB2 0.02 -0.05 -0.05 -0.04 2.88 2.76 2oa1A1 ASN 75 HB3 -0.12 -0.05 0.20 -0.04 2.79 2.79 2oa1A1 ASN 75 HD21 0.01 0.01 -0.02 -0.04 7.03 6.99 2oa1A1 ASN 75 HD22 0.01 -0.09 -0.04 -0.04 7.74 7.59 2oa1A1 ALA 76 H 0.10 0.49 -0.04 -0.55 8.40 8.40 2oa1A1 ALA 76 HA 0.24 0.14 0.63 -0.75 4.34 4.60 2oa1A1 ALA 76 HB3 0.19 -0.04 0.01 -0.04 1.41 1.52 2oa1A1 SER 77 H 0.21 0.59 0.41 -0.55 8.46 9.13 2oa1A1 SER 77 HA -0.17 0.17 0.75 -0.75 4.49 4.49 2oa1A1 SER 77 HB2 0.04 -0.04 -0.10 -0.04 3.95 3.81 2oa1A1 SER 77 HB3 0.16 0.19 0.12 -0.04 3.93 4.36 2oa1A1 TYR 78 H -0.04 0.21 0.13 -0.55 8.29 8.04 2oa1A1 TYR 78 HA -0.19 0.28 1.00 -0.75 4.56 4.90 2oa1A1 TYR 78 HB2 -0.16 -0.00 0.03 -0.04 3.06 2.88 2oa1A1 TYR 78 HB3 -0.32 0.02 -0.09 -0.04 2.98 2.55 2oa1A1 TYR 78 HD2 -0.24 0.07 -0.08 -0.04 7.15 6.85 2oa1A1 TYR 78 HE2 0.16 -0.01 -0.15 -0.04 6.85 6.80 2oa1A1 LYS 79 H -0.10 0.65 0.15 -0.55 8.42 8.56 2oa1A1 LYS 79 HA -0.07 0.19 0.52 -0.75 4.32 4.20 2oa1A1 LYS 79 HB2 -0.84 0.04 -0.38 -0.04 1.87 0.64 2oa1A1 LYS 79 HB3 -0.07 -0.18 -0.28 -0.04 1.79 1.22 2oa1A1 LYS 79 HG2 0.17 -0.03 -0.26 -0.04 1.46 1.30 2oa1A1 LYS 79 HG3 0.17 -0.01 0.00 -0.04 1.46 1.58 2oa1A1 LYS 79 HD2 0.25 -0.08 -0.04 -0.04 1.69 1.79 2oa1A1 LYS 79 HD3 0.26 0.08 -0.04 -0.04 1.68 1.95 2oa1A1 LYS 79 HE2 0.02 -0.04 -0.26 -0.04 2.99 2.67 2oa1A1 LYS 79 HE3 0.13 0.04 -0.15 -0.04 2.99 2.97 2oa1A1 VAL 80 H 0.10 0.70 0.35 -0.55 8.24 8.84 2oa1A1 VAL 80 HA 0.21 0.17 1.08 -0.75 4.13 4.83 2oa1A1 VAL 80 HB 0.02 0.16 0.13 -0.04 2.12 2.39 2oa1A1 VAL 80 HG13 -0.02 0.00 0.05 -0.04 0.97 0.96 2oa1A1 VAL 80 HG23 -0.02 0.00 -0.14 -0.04 0.95 0.75 2oa1A1 ALA 81 H 0.05 0.19 0.32 -0.55 8.40 8.42 2oa1A1 ALA 81 HA -0.46 0.16 0.68 -0.75 4.34 3.97 2oa1A1 ALA 81 HB3 -0.07 0.02 -0.24 -0.04 1.41 1.08 2oa1A1 ILE 82 H -0.15 0.53 0.28 -0.55 8.25 8.36 2oa1A1 ILE 82 HA -0.02 0.31 0.78 -0.75 4.18 4.49 2oa1A1 ILE 82 HB -0.10 -0.03 0.16 -0.04 1.89 1.87 2oa1A1 ILE 82 HG12 -0.02 -0.02 -0.00 -0.04 1.49 1.40 2oa1A1 ILE 82 HG13 -0.08 -0.08 -0.14 -0.04 1.21 0.88 2oa1A1 ILE 82 HG23 -0.87 0.02 -0.23 -0.04 0.93 -0.19 2oa1A1 ILE 82 HD13 0.06 0.05 -0.04 -0.04 0.88 0.91 2oa1A1 LYS 83 H -0.09 0.81 0.28 -0.55 8.42 8.87 2oa1A1 LYS 83 HA -0.51 0.16 0.88 -0.75 4.32 4.10 2oa1A1 LYS 83 HB2 -0.72 -0.03 -0.07 -0.04 1.87 1.01 2oa1A1 LYS 83 HB3 -0.23 -0.02 0.15 -0.04 1.79 1.65 2oa1A1 LYS 83 HG2 -0.46 0.01 -0.30 -0.04 1.46 0.67 2oa1A1 LYS 83 HG3 -1.26 -0.01 -0.13 -0.04 1.46 0.02 2oa1A1 LYS 83 HD2 -1.17 0.01 -0.12 -0.04 1.69 0.37 2oa1A1 LYS 83 HD3 -0.35 -0.01 -0.08 -0.04 1.68 1.20 2oa1A1 LYS 83 HE2 -0.43 -0.01 -0.11 -0.04 2.99 2.39 2oa1A1 LYS 83 HE3 -1.32 -0.01 -0.12 -0.04 2.99 1.50 2oa1A1 PHE 84 H -0.44 0.72 0.35 -0.55 8.34 8.42 2oa1A1 PHE 84 HA -0.24 0.19 0.78 -0.75 4.62 4.60 2oa1A1 PHE 84 HB2 -2.21 0.02 0.18 -0.04 3.15 1.10 2oa1A1 PHE 84 HB3 -1.36 0.01 0.02 -0.04 3.06 1.68 2oa1A1 PHE 84 HD2 -1.23 0.06 -0.05 -0.04 7.28 6.01 2oa1A1 PHE 84 HE2 -0.41 -0.05 -0.04 -0.04 7.38 6.84 2oa1A1 PHE 84 HZ -0.15 0.02 -0.05 -0.04 7.32 7.10 2oa1A1 ILE 85 H 0.36 0.69 0.43 -0.55 8.25 9.18 2oa1A1 ILE 85 HA 0.13 0.30 1.07 -0.75 4.18 4.94 2oa1A1 ILE 85 HB 0.15 -0.05 0.11 -0.04 1.89 2.06 2oa1A1 ILE 85 HG12 -0.01 0.01 -0.12 -0.04 1.49 1.33 2oa1A1 ILE 85 HG13 -0.04 -0.03 -0.39 -0.04 1.21 0.71 2oa1A1 ILE 85 HG23 0.07 0.02 -0.19 -0.04 0.93 0.79 2oa1A1 ILE 85 HD13 0.06 0.00 -0.05 -0.04 0.88 0.86 2oa1A1 ASN 86 H 0.15 0.65 0.37 -0.55 8.53 9.15 2oa1A1 ASN 86 HA 0.05 -0.05 0.43 -0.75 4.76 4.44 2oa1A1 ASN 86 HB2 0.00 0.19 -0.03 -0.04 2.88 3.00 2oa1A1 ASN 86 HB3 -0.05 0.09 0.24 -0.04 2.79 3.02 2oa1A1 ASN 86 HD21 -0.01 0.30 0.06 -0.04 7.03 7.33 2oa1A1 ASN 86 HD22 -0.03 0.07 -0.01 -0.04 7.74 7.72 2oa1A1 TRP 87 H 0.46 0.15 -0.24 -0.55 7.97 7.79 2oa1A1 TRP 87 HA -0.20 0.14 0.54 -0.75 4.62 4.34 2oa1A1 TRP 87 HB2 0.17 0.01 -0.05 -0.04 3.23 3.33 2oa1A1 TRP 87 HB3 0.03 0.10 0.08 -0.04 3.23 3.40 2oa1A1 TRP 87 HD1 0.08 -0.08 -0.39 -0.04 7.22 6.80 2oa1A1 TRP 87 HE1 0.22 0.33 -0.15 -0.04 10.20 10.56 2oa1A1 TRP 87 HE3 0.13 0.15 0.03 -0.04 7.59 7.86 2oa1A1 TRP 87 HZ2 -0.05 -0.10 -0.20 -0.04 7.44 7.05 2oa1A1 TRP 87 HZ3 -0.50 0.00 -0.32 -0.04 7.13 6.28 2oa1A1 TRP 87 HH2 -0.60 -0.10 -0.14 -0.04 7.19 6.31 2oa1A1 ARG 88 H 0.08 -0.06 -0.30 -0.55 8.46 7.63 2oa1A1 ARG 88 HA -0.04 0.23 0.88 -0.75 4.34 4.66 2oa1A1 ARG 88 HB2 0.06 -0.09 -0.02 -0.04 1.90 1.81 2oa1A1 ARG 88 HB3 0.01 0.02 0.10 -0.04 1.80 1.90 2oa1A1 ARG 88 HG2 0.03 0.25 0.06 -0.04 1.67 1.97 2oa1A1 ARG 88 HG3 0.17 -0.18 -0.28 -0.04 1.67 1.34 2oa1A1 ARG 88 HD2 0.02 -0.03 -0.03 -0.04 3.22 3.13 2oa1A1 ARG 88 HD3 -0.03 0.38 0.06 -0.04 3.22 3.59 2oa1A1 THR 89 H -0.09 0.23 -0.17 -0.55 8.28 7.70 2oa1A1 THR 89 HA -0.06 0.17 0.94 -0.75 4.39 4.69 2oa1A1 THR 89 HB -0.04 0.08 0.02 -0.04 4.32 4.34 2oa1A1 THR 89 HG23 -0.01 0.01 -0.20 -0.04 1.22 0.98 2oa1A1 ALA 90 H -0.06 0.11 0.15 -0.55 8.40 8.05 2oa1A1 ALA 90 HA -0.10 0.04 0.51 -0.75 4.34 4.03 2oa1A1 ALA 90 HB3 -0.03 -0.01 0.09 -0.04 1.41 1.42 2oa1A1 GLY 91 H -0.02 0.17 0.19 -0.55 8.43 8.23 2oa1A1 GLY 91 HA2 -0.01 -0.04 0.21 -0.51 4.01 3.66 2oa1A1 GLY 91 HA3 -0.03 0.22 0.88 -0.51 4.01 4.57 2oa1A1 GLU 92 H -0.03 0.10 0.12 -0.55 8.60 8.25 2oa1A1 GLU 92 HA -0.02 -0.03 0.38 -0.75 4.29 3.87 2oa1A1 GLU 92 HB2 -0.06 0.04 -0.01 -0.04 2.09 2.03 2oa1A1 GLU 92 HB3 -0.07 0.05 0.05 -0.04 1.99 1.98 2oa1A1 GLU 92 HG2 -0.02 -0.05 0.06 -0.04 2.34 2.29 2oa1A1 GLU 92 HG3 -0.03 0.04 0.02 -0.04 2.34 2.33 2oa1A1 GLY 93 H -0.10 -0.03 0.17 -0.55 8.43 7.93 2oa1A1 GLY 93 HA2 -0.14 0.28 0.66 -0.51 4.01 4.30 2oa1A1 GLY 93 HA3 -0.23 -0.09 0.36 -0.51 4.01 3.54 2oa1A1 THR 94 H -0.15 0.40 0.21 -0.55 8.28 8.20 2oa1A1 THR 94 HA -0.26 0.14 0.78 -0.75 4.39 4.29 2oa1A1 THR 94 HB -0.11 0.01 -0.15 -0.04 4.32 4.03 2oa1A1 THR 94 HG23 -0.07 0.09 -0.03 -0.04 1.22 1.18 2oa1A1 SER 95 H -0.30 0.23 0.13 -0.55 8.46 7.97 2oa1A1 SER 95 HA -0.24 0.10 0.51 -0.75 4.49 4.11 2oa1A1 SER 95 HB2 -0.04 -0.01 0.08 -0.04 3.95 3.94 2oa1A1 SER 95 HB3 -0.86 0.03 0.03 -0.04 3.93 3.09 2oa1A1 GLU 96 H -0.07 0.02 -0.33 -0.55 8.60 7.67 2oa1A1 GLU 96 HA 0.02 0.14 0.68 -0.75 4.29 4.38 2oa1A1 GLU 96 HB2 -0.00 -0.03 -0.01 -0.04 2.09 2.00 2oa1A1 GLU 96 HB3 0.02 0.08 -0.06 -0.04 1.99 2.00 2oa1A1 GLU 96 HG2 0.01 -0.11 -0.10 -0.04 2.34 2.09 2oa1A1 GLU 96 HG3 0.02 0.01 -0.04 -0.04 2.34 2.29 2oa1A1 ALA 97 H 0.05 0.13 0.11 -0.55 8.40 8.14 2oa1A1 ALA 97 HA 0.04 0.03 0.47 -0.75 4.34 4.13 2oa1A1 ALA 97 HB3 0.09 -0.01 0.04 -0.04 1.41 1.49 2oa1A1 ARG 98 H 0.02 0.10 0.23 -0.55 8.46 8.25 2oa1A1 ARG 98 HA 0.01 0.11 0.64 -0.75 4.34 4.34 2oa1A1 ARG 98 HB2 -0.00 -0.05 0.10 -0.04 1.90 1.91 2oa1A1 ARG 98 HB3 -0.01 0.06 0.09 -0.04 1.80 1.91 2oa1A1 ARG 98 HG2 -0.01 -0.04 0.06 -0.04 1.67 1.64 2oa1A1 ARG 98 HG3 -0.02 0.06 0.04 -0.04 1.67 1.71 2oa1A1 ARG 98 HD2 -0.02 -0.01 0.03 -0.04 3.22 3.18 2oa1A1 ARG 98 HD3 -0.03 -0.07 0.04 -0.04 3.22 3.12 2oa1A1 GLU 99 H 0.00 0.11 0.12 -0.55 8.60 8.28 2oa1A1 GLU 99 HA 0.00 0.19 0.49 -0.75 4.29 4.22 2oa1A1 GLU 99 HB2 0.00 0.01 0.01 -0.04 2.09 2.07 2oa1A1 GLU 99 HB3 -0.00 -0.03 0.07 -0.04 1.99 1.98 2oa1A1 GLU 99 HG2 -0.00 0.09 -0.22 -0.04 2.34 2.17 2oa1A1 GLU 99 HG3 -0.00 0.02 -0.12 -0.04 2.34 2.19 2oa1A1 LEU 100 H -0.01 0.96 0.19 -0.55 8.37 8.97 2oa1A1 LEU 100 HA -0.01 0.04 0.60 -0.75 4.35 4.22 2oa1A1 LEU 100 HB2 0.00 -0.00 -0.14 -0.04 1.64 1.45 2oa1A1 LEU 100 HB3 -0.00 0.06 -0.04 -0.04 1.64 1.61 2oa1A1 LEU 100 HG 0.00 0.03 -0.24 -0.04 1.64 1.39 2oa1A1 LEU 100 HD13 -0.00 -0.01 0.01 -0.04 0.93 0.88 2oa1A1 LEU 100 HD23 0.02 0.00 -0.07 -0.04 0.89 0.81 2oa1A1 ASP 101 H -0.01 0.13 0.08 -0.55 8.40 8.05 2oa1A1 ASP 101 HA -0.01 0.00 0.36 -0.75 4.63 4.23 2oa1A1 ASP 101 HB2 -0.01 0.17 -0.00 -0.04 2.71 2.83 2oa1A1 ASP 101 HB3 -0.01 0.02 0.21 -0.04 2.70 2.88 2oa1A1 GLY 102 H -0.01 0.02 -0.17 -0.55 8.43 7.72 2oa1A1 GLY 102 HA2 -0.01 -0.05 0.28 -0.51 4.01 3.72 2oa1A1 GLY 102 HA3 -0.02 0.12 0.37 -0.51 4.01 3.97 2oa1A1 GLY 103 H -0.03 0.48 -0.49 -0.55 8.43 7.85 2oa1A1 GLY 103 HA2 -0.02 0.12 0.75 -0.51 4.01 4.35 2oa1A1 GLY 103 HA3 -0.06 0.07 0.30 -0.51 4.01 3.80 2oa1A1 PRO 104 HA 0.02 0.19 0.36 -0.51 4.44 4.50 2oa1A1 PRO 104 HB2 0.22 -0.01 -0.08 -0.04 2.28 2.37 2oa1A1 PRO 104 HB3 0.10 0.04 0.04 -0.04 2.02 2.15 2oa1A1 PRO 104 HG2 -0.09 0.02 0.08 -0.04 2.03 2.00 2oa1A1 PRO 104 HG3 0.17 0.05 0.06 -0.04 2.03 2.26 2oa1A1 PRO 104 HD2 -0.05 0.11 0.23 -0.04 3.68 3.93 2oa1A1 PRO 104 HD3 0.02 0.13 0.16 -0.04 3.65 3.92 2oa1A1 ASP 105 H 0.03 0.60 0.18 -0.55 8.40 8.67 2oa1A1 ASP 105 HA 0.01 0.20 0.63 -0.75 4.63 4.72 2oa1A1 ASP 105 HB2 0.03 0.10 -0.05 -0.04 2.71 2.74 2oa1A1 ASP 105 HB3 0.05 -0.14 0.29 -0.04 2.70 2.85 2oa1A1 HIS 106 H -0.15 0.61 0.23 -0.55 8.41 8.55 2oa1A1 HIS 106 HA -0.04 0.35 0.78 -0.75 4.63 4.97 2oa1A1 HIS 106 HB2 -0.26 -0.00 0.01 -0.04 3.26 2.98 2oa1A1 HIS 106 HB3 -0.07 -0.06 -0.25 -0.04 3.20 2.78 2oa1A1 HIS 106 HD2 -0.33 -0.10 -0.42 -0.04 6.97 6.08 2oa1A1 HIS 106 HE1 0.09 0.01 -0.03 -0.04 7.75 7.77 2oa1A1 PHE 107 H -0.27 0.49 0.35 -0.55 8.34 8.36 2oa1A1 PHE 107 HA 0.08 0.06 0.46 -0.75 4.62 4.46 2oa1A1 PHE 107 HB2 0.02 -0.07 0.22 -0.04 3.15 3.28 2oa1A1 PHE 107 HB3 -0.00 0.18 0.09 -0.04 3.06 3.28 2oa1A1 PHE 107 HD2 -0.06 0.04 -0.25 -0.04 7.28 6.97 2oa1A1 PHE 107 HE2 -0.51 -0.04 -0.17 -0.04 7.38 6.61 2oa1A1 PHE 107 HZ -0.99 0.02 -0.06 -0.04 7.32 6.25 2oa1A1 TYR 108 H 0.31 0.12 0.20 -0.55 8.29 8.37 2oa1A1 TYR 108 HA -0.04 0.34 1.17 -0.75 4.56 5.27 2oa1A1 TYR 108 HB2 -0.16 -0.07 0.07 -0.04 3.06 2.86 2oa1A1 TYR 108 HB3 -0.18 -0.01 -0.13 -0.04 2.98 2.62 2oa1A1 TYR 108 HD2 -0.19 -0.02 -0.18 -0.04 7.15 6.71 2oa1A1 TYR 108 HE2 -0.49 0.05 -0.15 -0.04 6.85 6.21 2oa1A1 HIS 109 H 0.23 0.70 0.31 -0.55 8.41 9.10 2oa1A1 HIS 109 HA -0.01 0.13 0.79 -0.75 4.63 4.78 2oa1A1 HIS 109 HB2 0.19 0.06 0.03 -0.04 3.26 3.50 2oa1A1 HIS 109 HB3 0.23 -0.05 0.24 -0.04 3.20 3.58 2oa1A1 HIS 109 HD2 0.02 0.05 -0.00 -0.04 6.97 6.98 2oa1A1 HIS 109 HE1 0.46 -0.03 -0.03 -0.04 7.75 8.11 2oa1A1 SER 110 H -0.29 0.16 -0.01 -0.55 8.46 7.77 2oa1A1 SER 110 HA -0.38 0.16 0.83 -0.75 4.49 4.34 2oa1A1 SER 110 HB2 -0.46 -0.01 -0.01 -0.04 3.95 3.43 2oa1A1 SER 110 HB3 -0.15 0.10 0.13 -0.04 3.93 3.97 2oa1A1 PHE 111 H -0.32 0.45 0.26 -0.55 8.34 8.17 2oa1A1 PHE 111 HA 0.02 0.09 0.66 -0.75 4.62 4.64 2oa1A1 PHE 111 HB2 -0.09 0.17 0.02 -0.04 3.15 3.22 2oa1A1 PHE 111 HB3 -0.10 -0.15 0.06 -0.04 3.06 2.84 2oa1A1 PHE 111 HD2 -0.08 0.11 -0.01 -0.04 7.28 7.25 2oa1A1 PHE 111 HE2 -0.09 0.01 -0.18 -0.04 7.38 7.08 2oa1A1 PHE 111 HZ -0.03 0.20 0.01 -0.04 7.32 7.45 2oa1A1 GLY 112 H 0.57 0.07 0.17 -0.55 8.43 8.69 2oa1A1 GLY 112 HA2 0.35 -0.06 0.36 -0.51 4.01 4.15 2oa1A1 GLY 112 HA3 0.20 0.19 0.77 -0.51 4.01 4.66 2oa1A1 LEU 113 H -0.01 0.21 0.21 -0.55 8.37 8.23 2oa1A1 LEU 113 HA -0.11 0.09 0.89 -0.75 4.35 4.47 2oa1A1 LEU 113 HB2 -0.15 0.09 0.03 -0.04 1.64 1.57 2oa1A1 LEU 113 HB3 -0.23 0.08 0.07 -0.04 1.64 1.52 2oa1A1 LEU 113 HG -0.32 -0.16 -0.21 -0.04 1.64 0.90 2oa1A1 LEU 113 HD13 -0.37 0.02 -0.27 -0.04 0.93 0.27 2oa1A1 LEU 113 HD23 -0.77 0.08 -0.09 -0.04 0.89 0.07 2oa1A1 LEU 114 H -0.13 0.04 0.17 -0.55 8.37 7.91 2oa1A1 LEU 114 HA -0.32 0.16 0.64 -0.75 4.35 4.07 2oa1A1 LEU 114 HB2 -0.17 -0.06 0.14 -0.04 1.64 1.51 2oa1A1 LEU 114 HB3 -0.17 -0.05 0.08 -0.04 1.64 1.46 2oa1A1 LEU 114 HG 0.02 0.02 0.08 -0.04 1.64 1.72 2oa1A1 LEU 114 HD13 0.13 -0.06 -0.01 -0.04 0.93 0.95 2oa1A1 LEU 114 HD23 -0.18 0.04 0.01 -0.04 0.89 0.72 2oa1A1 LYS 115 H -0.22 0.19 0.24 -0.55 8.42 8.08 2oa1A1 LYS 115 HA -0.12 0.05 0.55 -0.75 4.32 4.05 2oa1A1 LYS 115 HB2 -0.15 0.06 0.21 -0.04 1.87 1.94 2oa1A1 LYS 115 HB3 -0.14 -0.01 -0.00 -0.04 1.79 1.60 2oa1A1 LYS 115 HG2 -0.03 -0.06 0.14 -0.04 1.46 1.47 2oa1A1 LYS 115 HG3 -0.07 0.01 0.09 -0.04 1.46 1.44 2oa1A1 LYS 115 HD2 -0.09 0.01 0.03 -0.04 1.69 1.60 2oa1A1 LYS 115 HD3 -0.05 0.03 -0.09 -0.04 1.68 1.52 2oa1A1 LYS 115 HE2 -0.01 -0.05 0.05 -0.04 2.99 2.94 2oa1A1 LYS 115 HE3 -0.03 -0.00 0.03 -0.04 2.99 2.95 2oa1A1 TYR 116 H 0.06 0.10 0.16 -0.55 8.29 8.05 2oa1A1 TYR 116 HA 0.00 0.17 0.58 -0.75 4.56 4.56 2oa1A1 TYR 116 HB2 -0.03 -0.05 0.08 -0.04 3.06 3.01 2oa1A1 TYR 116 HB3 -0.02 -0.11 -0.23 -0.04 2.98 2.59 2oa1A1 TYR 116 HD2 -0.03 -0.15 -0.44 -0.04 7.15 6.48 2oa1A1 TYR 116 HE2 -0.05 0.05 -0.28 -0.04 6.85 6.52 2oa1A1 HIS 117 H 0.26 0.81 0.11 -0.55 8.41 9.05 2oa1A1 HIS 117 HA -0.03 0.12 0.78 -0.75 4.63 4.74 2oa1A1 HIS 117 HB2 -0.26 0.01 -0.04 -0.04 3.26 2.93 2oa1A1 HIS 117 HB3 -0.42 0.06 0.09 -0.04 3.20 2.89 2oa1A1 HIS 117 HD2 -0.65 0.03 -0.09 -0.04 6.97 6.21 2oa1A1 HIS 117 HE1 -0.09 0.03 -0.11 -0.04 7.75 7.52 2oa1A1 GLU 118 H -0.28 0.18 0.05 -0.55 8.60 8.00 2oa1A1 GLU 118 HA -0.13 0.04 0.31 -0.75 4.29 3.75 2oa1A1 GLU 118 HB2 0.01 0.14 0.10 -0.04 2.09 2.30 2oa1A1 GLU 118 HB3 -0.06 0.03 0.17 -0.04 1.99 2.09 2oa1A1 GLU 118 HG2 -0.95 -0.05 -0.16 -0.04 2.34 1.14 2oa1A1 GLU 118 HG3 -0.17 -0.03 -0.03 -0.04 2.34 2.07 2oa1A1 GLN 119 H -0.03 0.03 -0.31 -0.55 8.47 7.62 2oa1A1 GLN 119 HA -0.21 -0.02 0.18 -0.75 4.36 3.56 2oa1A1 GLN 119 HB2 -0.05 0.31 -0.02 -0.04 2.15 2.35 2oa1A1 GLN 119 HB3 -0.11 0.00 0.14 -0.04 2.02 2.01 2oa1A1 GLN 119 HG2 -0.14 0.00 -0.02 -0.04 2.40 2.20 2oa1A1 GLN 119 HG3 -0.09 -0.10 -0.22 -0.04 2.39 1.94 2oa1A1 GLN 119 HE21 -0.05 0.01 -0.03 -0.04 6.97 6.86 2oa1A1 GLN 119 HE22 -0.06 -0.03 -0.05 -0.04 7.69 7.50 2oa1A1 ILE 120 H 0.20 0.31 -0.58 -0.55 8.25 7.62 2oa1A1 ILE 120 HA 0.07 0.23 0.90 -0.75 4.18 4.63 2oa1A1 ILE 120 HB 0.16 0.11 0.02 -0.04 1.89 2.14 2oa1A1 ILE 120 HG12 -0.04 0.02 -0.10 -0.04 1.49 1.33 2oa1A1 ILE 120 HG13 0.02 0.10 -0.26 -0.04 1.21 1.03 2oa1A1 ILE 120 HG23 -0.28 0.02 -0.09 -0.04 0.93 0.54 2oa1A1 ILE 120 HD13 -0.06 -0.02 -0.07 -0.04 0.88 0.69 2oa1A1 PRO 121 HA -0.23 0.17 0.40 -0.51 4.44 4.27 2oa1A1 PRO 121 HB2 -0.13 -0.09 0.01 -0.04 2.28 2.03 2oa1A1 PRO 121 HB3 -0.26 0.03 0.06 -0.04 2.02 1.81 2oa1A1 PRO 121 HG2 -0.28 0.03 0.09 -0.04 2.03 1.83 2oa1A1 PRO 121 HG3 -0.12 0.07 0.07 -0.04 2.03 2.01 2oa1A1 PRO 121 HD2 -0.68 0.11 0.21 -0.04 3.68 3.28 2oa1A1 PRO 121 HD3 0.07 0.26 0.24 -0.04 3.65 4.18 2oa1A1 LEU 122 H -0.08 0.50 0.23 -0.55 8.37 8.48 2oa1A1 LEU 122 HA 0.20 0.08 0.43 -0.75 4.35 4.30 2oa1A1 LEU 122 HB2 -0.15 0.13 0.19 -0.04 1.64 1.78 2oa1A1 LEU 122 HB3 -0.08 -0.06 0.12 -0.04 1.64 1.59 2oa1A1 LEU 122 HG -0.02 -0.03 -0.11 -0.04 1.64 1.45 2oa1A1 LEU 122 HD13 -0.78 -0.01 0.03 -0.04 0.93 0.13 2oa1A1 LEU 122 HD23 -0.37 0.04 0.02 -0.04 0.89 0.53 2oa1A1 SER 123 H 0.08 0.06 -0.24 -0.55 8.46 7.81 2oa1A1 SER 123 HA 0.42 0.08 0.39 -0.75 4.49 4.62 2oa1A1 SER 123 HB2 -1.48 0.10 -0.02 -0.04 3.95 2.51 2oa1A1 SER 123 HB3 -0.16 -0.00 0.06 -0.04 3.93 3.78 2oa1A1 HIS 124 H 0.30 0.46 -0.39 -0.55 8.41 8.23 2oa1A1 HIS 124 HA 0.06 0.11 0.36 -0.75 4.63 4.40 2oa1A1 HIS 124 HB2 -0.14 0.15 0.06 -0.04 3.26 3.29 2oa1A1 HIS 124 HB3 -0.13 -0.03 0.03 -0.04 3.20 3.03 2oa1A1 HIS 124 HD2 -0.04 -0.01 0.10 -0.04 6.97 6.97 2oa1A1 HIS 124 HE1 0.08 -0.09 -0.10 -0.04 7.75 7.60 2oa1A1 TYR 125 H 0.38 0.25 -0.10 -0.55 8.29 8.26 2oa1A1 TYR 125 HA 0.16 0.06 0.53 -0.75 4.56 4.55 2oa1A1 TYR 125 HB2 0.24 0.12 0.12 -0.04 3.06 3.50 2oa1A1 TYR 125 HB3 0.29 0.01 -0.03 -0.04 2.98 3.22 2oa1A1 TYR 125 HD2 0.10 0.02 -0.03 -0.04 7.15 7.20 2oa1A1 TYR 125 HE2 0.13 0.06 -0.16 -0.04 6.85 6.83 2oa1A1 TRP 126 H 0.69 0.49 -0.10 -0.55 7.97 8.50 2oa1A1 TRP 126 HA 0.12 0.05 0.46 -0.75 4.62 4.50 2oa1A1 TRP 126 HB2 0.42 -0.01 0.01 -0.04 3.23 3.60 2oa1A1 TRP 126 HB3 0.37 0.06 0.12 -0.04 3.23 3.74 2oa1A1 TRP 126 HD1 -0.05 -0.03 -0.09 -0.04 7.22 7.01 2oa1A1 TRP 126 HE1 0.09 0.52 -0.22 -0.04 10.20 10.55 2oa1A1 TRP 126 HE3 0.33 0.12 0.03 -0.04 7.59 8.03 2oa1A1 TRP 126 HZ2 0.17 0.10 -0.06 -0.04 7.44 7.62 2oa1A1 TRP 126 HZ3 0.27 0.04 -0.00 -0.04 7.13 7.39 2oa1A1 TRP 126 HH2 0.21 0.11 -0.04 -0.04 7.19 7.43 2oa1A1 PHE 127 H 0.45 0.53 -0.14 -0.55 8.34 8.62 2oa1A1 PHE 127 HA -1.16 0.05 0.26 -0.75 4.62 3.02 2oa1A1 PHE 127 HB2 0.19 0.01 0.10 -0.04 3.15 3.42 2oa1A1 PHE 127 HB3 -0.05 0.01 0.12 -0.04 3.06 3.10 2oa1A1 PHE 127 HD2 -0.32 -0.05 -0.10 -0.04 7.28 6.77 2oa1A1 PHE 127 HE2 -0.16 -0.03 -0.38 -0.04 7.38 6.77 2oa1A1 PHE 127 HZ 0.11 0.20 -0.21 -0.04 7.32 7.38 2oa1A1 ASP 128 H -0.05 0.49 -0.16 -0.55 8.40 8.13 2oa1A1 ASP 128 HA -0.35 0.02 0.48 -0.75 4.63 4.03 2oa1A1 ASP 128 HB2 -0.08 -0.00 0.17 -0.04 2.71 2.75 2oa1A1 ASP 128 HB3 -0.01 0.10 0.18 -0.04 2.70 2.92 2oa1A1 ARG 129 H -0.16 0.49 -0.22 -0.55 8.46 8.01 2oa1A1 ARG 129 HA -0.14 0.01 0.38 -0.75 4.34 3.84 2oa1A1 ARG 129 HB2 -0.20 0.18 0.19 -0.04 1.90 2.02 2oa1A1 ARG 129 HB3 -0.20 -0.07 -0.11 -0.04 1.80 1.38 2oa1A1 ARG 129 HG2 -0.07 -0.02 -0.01 -0.04 1.67 1.53 2oa1A1 ARG 129 HG3 -0.01 -0.04 0.01 -0.04 1.67 1.60 2oa1A1 ARG 129 HD2 0.17 -0.05 -0.05 -0.04 3.22 3.25 2oa1A1 ARG 129 HD3 0.02 0.10 -0.08 -0.04 3.22 3.22 2oa1A1 SER 130 H -0.66 0.51 -0.17 -0.55 8.46 7.60 2oa1A1 SER 130 HA -0.33 0.12 0.47 -0.75 4.49 4.00 2oa1A1 SER 130 HB2 -1.24 -0.01 0.00 -0.04 3.95 2.66 2oa1A1 SER 130 HB3 -0.99 0.05 0.13 -0.04 3.93 3.08 2oa1A1 TYR 131 H -0.69 0.72 0.01 -0.55 8.29 7.78 2oa1A1 TYR 131 HA -0.38 0.05 0.35 -0.75 4.56 3.83 2oa1A1 TYR 131 HB2 -1.43 0.01 0.07 -0.04 3.06 1.67 2oa1A1 TYR 131 HB3 -0.69 0.03 0.16 -0.04 2.98 2.44 2oa1A1 TYR 131 HD2 -0.11 0.04 -0.19 -0.04 7.15 6.85 2oa1A1 TYR 131 HE2 -0.03 0.10 0.03 -0.04 6.85 6.91 2oa1A1 ARG 132 H -0.15 0.41 -0.27 -0.55 8.46 7.89 2oa1A1 ARG 132 HA -0.09 0.08 0.56 -0.75 4.34 4.14 2oa1A1 ARG 132 HB2 -0.08 0.07 0.09 -0.04 1.90 1.94 2oa1A1 ARG 132 HB3 -0.05 -0.07 0.14 -0.04 1.80 1.78 2oa1A1 ARG 132 HG2 0.07 -0.02 0.00 -0.04 1.67 1.68 2oa1A1 ARG 132 HG3 0.03 0.06 0.04 -0.04 1.67 1.76 2oa1A1 ARG 132 HD2 -0.02 -0.04 -0.00 -0.04 3.22 3.11 2oa1A1 ARG 132 HD3 -0.04 -0.05 -0.02 -0.04 3.22 3.07 2oa1A1 GLY 133 H -0.19 0.43 -0.58 -0.55 8.43 7.54 2oa1A1 GLY 133 HA2 -0.13 0.11 0.32 -0.51 4.01 3.81 2oa1A1 GLY 133 HA3 -0.11 -0.01 0.35 -0.51 4.01 3.73 2oa1A1 LYS 134 H -0.13 0.58 -0.05 -0.55 8.42 8.26 2oa1A1 LYS 134 HA -0.07 0.09 0.66 -0.75 4.32 4.25 2oa1A1 LYS 134 HB2 -0.11 -0.02 0.09 -0.04 1.87 1.79 2oa1A1 LYS 134 HB3 -0.07 -0.09 0.10 -0.04 1.79 1.70 2oa1A1 LYS 134 HG2 -0.08 0.06 -0.09 -0.04 1.46 1.31 2oa1A1 LYS 134 HG3 -0.05 -0.08 -0.00 -0.04 1.46 1.29 2oa1A1 LYS 134 HD2 -0.04 -0.08 -0.00 -0.04 1.69 1.52 2oa1A1 LYS 134 HD3 -0.06 0.11 -0.25 -0.04 1.68 1.44 2oa1A1 LYS 134 HE2 -0.05 0.14 -0.03 -0.04 2.99 3.01 2oa1A1 LYS 134 HE3 -0.03 -0.09 -0.02 -0.04 2.99 2.81 2oa1A1 THR 135 H -0.13 0.37 -0.14 -0.55 8.28 7.83 2oa1A1 THR 135 HA -0.05 0.09 0.54 -0.75 4.39 4.22 2oa1A1 THR 135 HB -0.12 0.06 -0.22 -0.04 4.32 4.00 2oa1A1 THR 135 HG23 -0.16 0.01 -0.30 -0.04 1.22 0.73 2oa1A1 VAL 136 H -0.00 0.11 0.08 -0.55 8.24 7.88 2oa1A1 VAL 136 HA 0.02 0.28 0.65 -0.75 4.13 4.32 2oa1A1 VAL 136 HB 0.02 0.02 0.15 -0.04 2.12 2.27 2oa1A1 VAL 136 HG13 -0.02 0.02 -0.02 -0.04 0.97 0.90 2oa1A1 VAL 136 HG23 -0.01 -0.01 -0.04 -0.04 0.95 0.85 2oa1A1 GLU 137 H 0.09 -0.03 -0.01 -0.55 8.60 8.10 2oa1A1 GLU 137 HA 0.08 0.14 0.45 -0.75 4.29 4.21 2oa1A1 GLU 137 HB2 0.07 -0.04 0.08 -0.04 2.09 2.15 2oa1A1 GLU 137 HB3 0.18 -0.03 0.01 -0.04 1.99 2.11 2oa1A1 GLU 137 HG2 0.14 0.13 -0.13 -0.04 2.34 2.44 2oa1A1 GLU 137 HG3 0.06 0.01 0.01 -0.04 2.34 2.38 2oa1A1 PRO 138 HA 0.27 0.17 0.54 -0.51 4.44 4.91 2oa1A1 PRO 138 HB2 0.19 -0.26 0.06 -0.04 2.28 2.23 2oa1A1 PRO 138 HB3 0.11 0.13 0.16 -0.04 2.02 2.37 2oa1A1 PRO 138 HG2 -0.08 0.05 0.13 -0.04 2.03 2.09 2oa1A1 PRO 138 HG3 0.04 0.18 0.13 -0.04 2.03 2.33 2oa1A1 PRO 138 HD2 -0.01 -0.02 0.20 -0.04 3.68 3.81 2oa1A1 PRO 138 HD3 0.01 0.24 0.25 -0.04 3.65 4.11 2oa1A1 PHE 139 H -0.21 0.27 0.11 -0.55 8.34 7.95 2oa1A1 PHE 139 HA -1.91 0.07 0.37 -0.75 4.62 2.40 2oa1A1 PHE 139 HB2 -2.27 0.09 0.07 -0.04 3.15 0.99 2oa1A1 PHE 139 HB3 -0.61 0.05 0.06 -0.04 3.06 2.53 2oa1A1 PHE 139 HD2 -0.39 0.04 -0.06 -0.04 7.28 6.84 2oa1A1 PHE 139 HE2 0.02 -0.06 -0.08 -0.04 7.38 7.23 2oa1A1 PHE 139 HZ 0.21 -0.05 -0.03 -0.04 7.32 7.41 2oa1A1 ASP 140 H -0.05 0.16 -0.13 -0.55 8.40 7.84 2oa1A1 ASP 140 HA -0.46 0.05 0.40 -0.75 4.63 3.87 2oa1A1 ASP 140 HB2 -0.14 -0.02 0.10 -0.04 2.71 2.61 2oa1A1 ASP 140 HB3 0.01 0.15 0.19 -0.04 2.70 3.01 2oa1A1 TYR 141 H 0.29 0.12 -0.15 -0.55 8.29 8.00 2oa1A1 TYR 141 HA -0.00 0.08 0.50 -0.75 4.56 4.39 2oa1A1 TYR 141 HB2 0.02 0.07 0.06 -0.04 3.06 3.16 2oa1A1 TYR 141 HB3 0.02 0.03 -0.00 -0.04 2.98 2.99 2oa1A1 TYR 141 HD2 0.05 -0.04 0.01 -0.04 7.15 7.13 2oa1A1 TYR 141 HE2 0.15 0.04 -0.09 -0.04 6.85 6.92 2oa1A1 ALA 142 H -0.05 0.39 -0.34 -0.55 8.40 7.85 2oa1A1 ALA 142 HA 0.11 0.07 0.49 -0.75 4.34 4.25 2oa1A1 ALA 142 HB3 0.04 -0.00 -0.02 -0.04 1.41 1.38 2oa1A1 CYS 143 H -0.22 0.38 -0.12 -0.55 8.50 7.99 2oa1A1 CYS 143 HA -0.03 0.12 0.50 -0.75 4.58 4.42 2oa1A1 CYS 143 HB2 -0.73 0.14 0.04 -0.04 2.97 2.37 2oa1A1 CYS 143 HB3 -0.37 -0.17 0.04 -0.04 2.97 2.43 2oa1A1 TYR 144 H -0.03 0.46 -0.02 -0.55 8.29 8.15 2oa1A1 TYR 144 HA -0.13 0.11 1.00 -0.75 4.56 4.78 2oa1A1 TYR 144 HB2 -0.24 0.29 0.17 -0.04 3.06 3.23 2oa1A1 TYR 144 HB3 -0.17 -0.22 0.03 -0.04 2.98 2.58 2oa1A1 TYR 144 HD2 -0.31 0.03 0.00 -0.04 7.15 6.84 2oa1A1 TYR 144 HE2 -0.09 0.06 -0.18 -0.04 6.85 6.61 2oa1A1 LYS 145 H -0.01 0.14 0.16 -0.55 8.42 8.16 2oa1A1 LYS 145 HA -0.03 0.20 0.56 -0.75 4.32 4.29 2oa1A1 LYS 145 HB2 -0.03 0.04 -0.03 -0.04 1.87 1.81 2oa1A1 LYS 145 HB3 -0.03 0.02 0.12 -0.04 1.79 1.86 2oa1A1 LYS 145 HG2 -0.02 -0.06 0.13 -0.04 1.46 1.47 2oa1A1 LYS 145 HG3 -0.03 0.01 -0.11 -0.04 1.46 1.29 2oa1A1 LYS 145 HD2 -0.03 0.05 -0.03 -0.04 1.69 1.64 2oa1A1 LYS 145 HD3 -0.02 -0.03 0.02 -0.04 1.68 1.61 2oa1A1 LYS 145 HE2 -0.02 0.28 0.14 -0.04 2.99 3.35 2oa1A1 LYS 145 HE3 -0.02 -0.07 0.07 -0.04 2.99 2.93 2oa1A1 GLU 146 H -0.02 0.02 -0.18 -0.55 8.60 7.87 2oa1A1 GLU 146 HA -0.12 0.08 0.19 -0.75 4.29 3.68 2oa1A1 GLU 146 HB2 -0.18 0.01 0.04 -0.04 2.09 1.92 2oa1A1 GLU 146 HB3 -0.24 0.01 -0.10 -0.04 1.99 1.61 2oa1A1 GLU 146 HG2 -0.05 0.09 0.06 -0.04 2.34 2.40 2oa1A1 GLU 146 HG3 -0.05 0.03 0.01 -0.04 2.34 2.28 2oa1A1 PRO 147 HA -1.08 0.02 0.23 -0.51 4.44 3.09 2oa1A1 PRO 147 HB2 -1.29 0.09 -0.06 -0.04 2.28 0.98 2oa1A1 PRO 147 HB3 -0.86 0.02 -0.04 -0.04 2.02 1.10 2oa1A1 PRO 147 HG2 -0.43 0.06 -0.41 -0.04 2.03 1.21 2oa1A1 PRO 147 HG3 -0.43 -0.04 -0.06 -0.04 2.03 1.45 2oa1A1 PRO 147 HD2 -0.25 0.47 -0.27 -0.04 3.68 3.59 2oa1A1 PRO 147 HD3 -0.24 -0.07 -0.05 -0.04 3.65 3.25 2oa1A1 VAL 148 H -0.22 0.26 -0.32 -0.55 8.24 7.41 2oa1A1 VAL 148 HA 0.09 0.06 0.41 -0.75 4.13 3.93 2oa1A1 VAL 148 HB -0.01 0.11 0.13 -0.04 2.12 2.31 2oa1A1 VAL 148 HG13 0.06 0.00 -0.08 -0.04 0.97 0.90 2oa1A1 VAL 148 HG23 0.13 -0.00 0.02 -0.04 0.95 1.06 2oa1A1 ILE 149 H -0.10 0.27 -0.06 -0.55 8.25 7.81 2oa1A1 ILE 149 HA -0.01 0.15 0.53 -0.75 4.18 4.09 2oa1A1 ILE 149 HB -0.03 0.01 -0.04 -0.04 1.89 1.79 2oa1A1 ILE 149 HG12 -0.08 0.03 0.03 -0.04 1.49 1.43 2oa1A1 ILE 149 HG13 -0.08 0.02 -0.12 -0.04 1.21 0.98 2oa1A1 ILE 149 HG23 -0.02 0.02 -0.14 -0.04 0.93 0.74 2oa1A1 ILE 149 HD13 -0.05 -0.00 -0.16 -0.04 0.88 0.62 2oa1A1 LEU 150 H -0.19 0.54 -0.17 -0.55 8.37 8.00 2oa1A1 LEU 150 HA 0.06 0.06 0.49 -0.75 4.35 4.21 2oa1A1 LEU 150 HB2 -0.63 0.07 -0.07 -0.04 1.64 0.97 2oa1A1 LEU 150 HB3 -0.06 -0.04 -0.10 -0.04 1.64 1.40 2oa1A1 LEU 150 HG -0.28 0.17 -0.11 -0.04 1.64 1.38 2oa1A1 LEU 150 HD13 -0.51 -0.03 -0.26 -0.04 0.93 0.09 2oa1A1 LEU 150 HD23 0.03 0.01 -0.10 -0.04 0.89 0.78 2oa1A1 ASP 151 H -0.02 0.44 -0.22 -0.55 8.40 8.05 2oa1A1 ASP 151 HA 0.12 0.01 0.48 -0.75 4.63 4.49 2oa1A1 ASP 151 HB2 0.12 0.19 0.14 -0.04 2.71 3.11 2oa1A1 ASP 151 HB3 0.14 -0.04 0.01 -0.04 2.70 2.77 2oa1A1 ALA 152 H 0.06 0.23 -0.48 -0.55 8.40 7.67 2oa1A1 ALA 152 HA 0.08 0.14 0.71 -0.75 4.34 4.52 2oa1A1 ALA 152 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 2oa1A1 ASN 153 H 0.14 0.32 -0.55 -0.55 8.53 7.89 2oa1A1 ASN 153 HA 0.13 0.04 0.40 -0.75 4.76 4.57 2oa1A1 ASN 153 HB2 0.08 0.10 -0.11 -0.04 2.88 2.90 2oa1A1 ASN 153 HB3 0.06 -0.07 0.26 -0.04 2.79 3.00 2oa1A1 ASN 153 HD21 0.07 -0.01 -0.10 -0.04 7.03 6.96 2oa1A1 ASN 153 HD22 0.06 0.00 -0.09 -0.04 7.74 7.68 2oa1A1 ARG 154 H 0.05 0.46 -0.10 -0.55 8.46 8.31 2oa1A1 ARG 154 HA 0.03 0.06 0.55 -0.75 4.34 4.22 2oa1A1 ARG 154 HB2 -0.01 -0.12 -0.08 -0.04 1.90 1.64 2oa1A1 ARG 154 HB3 -0.01 0.08 -0.03 -0.04 1.80 1.79 2oa1A1 ARG 154 HG2 0.03 0.02 -0.04 -0.04 1.67 1.64 2oa1A1 ARG 154 HG3 0.01 -0.07 -0.01 -0.04 1.67 1.56 2oa1A1 ARG 154 HD2 0.02 0.12 0.01 -0.04 3.22 3.33 2oa1A1 ARG 154 HD3 0.02 0.07 -0.23 -0.04 3.22 3.04 2oa1A1 SER 155 H 0.00 0.70 0.09 -0.55 8.46 8.71 2oa1A1 SER 155 HA -0.05 0.06 0.58 -0.75 4.49 4.33 2oa1A1 SER 155 HB2 0.05 -0.01 -0.20 -0.04 3.95 3.75 2oa1A1 SER 155 HB3 -0.06 0.14 0.01 -0.04 3.93 3.97 2oa1A1 PRO 156 HA -0.18 0.12 0.59 -0.51 4.44 4.46 2oa1A1 PRO 156 HB2 -0.40 -0.01 -0.08 -0.04 2.28 1.74 2oa1A1 PRO 156 HB3 -0.20 0.05 -0.04 -0.04 2.02 1.78 2oa1A1 PRO 156 HG2 -1.27 0.02 -0.07 -0.04 2.03 0.66 2oa1A1 PRO 156 HG3 -0.61 0.00 -0.09 -0.04 2.03 1.30 2oa1A1 PRO 156 HD2 -0.24 0.05 0.17 -0.04 3.68 3.62 2oa1A1 PRO 156 HD3 -0.15 0.22 0.09 -0.04 3.65 3.77 2oa1A1 ARG 157 H -0.62 0.13 -0.26 -0.55 8.46 7.16 2oa1A1 ARG 157 HA -0.30 0.26 0.84 -0.75 4.34 4.39 2oa1A1 ARG 157 HB2 -1.56 -0.01 -0.12 -0.04 1.90 0.16 2oa1A1 ARG 157 HB3 -0.40 0.14 -0.27 -0.04 1.80 1.23 2oa1A1 ARG 157 HG2 -0.63 -0.02 -0.37 -0.04 1.67 0.61 2oa1A1 ARG 157 HG3 -1.22 -0.06 -0.16 -0.04 1.67 0.18 2oa1A1 ARG 157 HD2 -0.39 -0.08 -0.11 -0.04 3.22 2.60 2oa1A1 ARG 157 HD3 -0.24 0.00 -0.10 -0.04 3.22 2.85 2oa1A1 ARG 158 H -0.11 0.59 0.08 -0.55 8.46 8.47 2oa1A1 ARG 158 HA -0.01 0.17 0.62 -0.75 4.34 4.37 2oa1A1 ARG 158 HB2 0.01 -0.18 0.02 -0.04 1.90 1.71 2oa1A1 ARG 158 HB3 0.02 -0.04 0.12 -0.04 1.80 1.86 2oa1A1 ARG 158 HG2 -0.03 0.08 -0.04 -0.04 1.67 1.65 2oa1A1 ARG 158 HG3 -0.04 0.14 -0.03 -0.04 1.67 1.70 2oa1A1 ARG 158 HD2 -0.00 -0.08 -0.03 -0.04 3.22 3.06 2oa1A1 ARG 158 HD3 0.00 0.03 -0.01 -0.04 3.22 3.21 2oa1A1 LEU 159 H 0.08 0.21 0.16 -0.55 8.37 8.28 2oa1A1 LEU 159 HA 0.26 0.13 0.33 -0.75 4.35 4.31 2oa1A1 LEU 159 HB2 0.05 -0.02 0.13 -0.04 1.64 1.76 2oa1A1 LEU 159 HB3 0.04 0.04 0.03 -0.04 1.64 1.71 2oa1A1 LEU 159 HG 0.07 0.02 0.11 -0.04 1.64 1.81 2oa1A1 LEU 159 HD13 0.02 0.01 0.02 -0.04 0.93 0.93 2oa1A1 LEU 159 HD23 0.11 0.00 -0.05 -0.04 0.89 0.92 2oa1A1 ASP 160 H 0.06 0.04 -0.24 -0.55 8.40 7.70 2oa1A1 ASP 160 HA 0.04 0.16 0.50 -0.75 4.63 4.58 2oa1A1 ASP 160 HB2 0.02 0.04 0.13 -0.04 2.71 2.86 2oa1A1 ASP 160 HB3 0.03 0.01 0.07 -0.04 2.70 2.76 2oa1A1 GLY 161 H 0.17 0.61 -0.68 -0.55 8.43 7.98 2oa1A1 GLY 161 HA2 0.22 0.05 0.21 -0.51 4.01 3.98 2oa1A1 GLY 161 HA3 0.09 0.12 0.62 -0.51 4.01 4.33 2oa1A1 SER 162 H 0.02 -0.01 -0.33 -0.55 8.46 7.60 2oa1A1 SER 162 HA 0.00 0.06 0.31 -0.75 4.49 4.10 2oa1A1 SER 162 HB2 -0.00 0.09 -0.03 -0.04 3.95 3.96 2oa1A1 SER 162 HB3 0.01 0.03 -0.00 -0.04 3.93 3.92 2oa1A1 LYS 163 H -0.01 0.09 0.20 -0.55 8.42 8.14 2oa1A1 LYS 163 HA -0.10 0.21 0.66 -0.75 4.32 4.35 2oa1A1 LYS 163 HB2 0.03 0.01 0.14 -0.04 1.87 2.01 2oa1A1 LYS 163 HB3 0.01 -0.06 0.13 -0.04 1.79 1.82 2oa1A1 LYS 163 HG2 0.04 0.04 0.02 -0.04 1.46 1.51 2oa1A1 LYS 163 HG3 0.17 0.03 0.06 -0.04 1.46 1.67 2oa1A1 LYS 163 HD2 -0.08 -0.03 0.05 -0.04 1.69 1.59 2oa1A1 LYS 163 HD3 0.05 -0.03 0.02 -0.04 1.68 1.68 2oa1A1 LYS 163 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.88 2oa1A1 LYS 163 HE3 -0.02 0.01 -0.16 -0.04 2.99 2.78 2oa1A1 VAL 164 H -0.09 0.71 0.37 -0.55 8.24 8.68 2oa1A1 VAL 164 HA -0.03 0.16 0.94 -0.75 4.13 4.45 2oa1A1 VAL 164 HB -0.03 -0.05 0.10 -0.04 2.12 2.10 2oa1A1 VAL 164 HG13 -0.04 0.00 -0.16 -0.04 0.97 0.73 2oa1A1 VAL 164 HG23 -0.08 0.05 -0.13 -0.04 0.95 0.76 2oa1A1 THR 165 H -0.02 0.26 0.16 -0.55 8.28 8.14 2oa1A1 THR 165 HA 0.01 0.07 0.61 -0.75 4.39 4.33 2oa1A1 THR 165 HB -0.02 0.10 -0.19 -0.04 4.32 4.16 2oa1A1 THR 165 HG23 -0.03 0.02 -0.14 -0.04 1.22 1.03 2oa1A1 ASN 166 H 0.04 0.12 0.12 -0.55 8.53 8.27 2oa1A1 ASN 166 HA -0.17 0.09 0.74 -0.75 4.76 4.67 2oa1A1 ASN 166 HB2 0.09 0.01 -0.03 -0.04 2.88 2.91 2oa1A1 ASN 166 HB3 -0.31 -0.01 0.05 -0.04 2.79 2.48 2oa1A1 ASN 166 HD21 0.15 -0.07 -0.10 -0.04 7.03 6.97 2oa1A1 ASN 166 HD22 -0.08 0.06 -0.00 -0.04 7.74 7.68 2oa1A1 TYR 167 H -0.67 0.21 0.26 -0.55 8.29 7.54 2oa1A1 TYR 167 HA -0.16 0.24 0.90 -0.75 4.56 4.78 2oa1A1 TYR 167 HB2 -0.35 0.08 0.05 -0.04 3.06 2.80 2oa1A1 TYR 167 HB3 -0.27 0.02 -0.32 -0.04 2.98 2.37 2oa1A1 TYR 167 HD2 -0.62 0.20 -0.15 -0.04 7.15 6.53 2oa1A1 TYR 167 HE2 -0.20 -0.01 -0.10 -0.04 6.85 6.49 2oa1A1 ALA 168 H -0.25 0.79 0.31 -0.55 8.40 8.70 2oa1A1 ALA 168 HA -2.11 0.10 0.53 -0.75 4.34 2.10 2oa1A1 ALA 168 HB3 -0.28 -0.03 -0.25 -0.04 1.41 0.81 2oa1A1 TRP 169 H 0.36 0.07 0.05 -0.55 7.97 7.90 2oa1A1 TRP 169 HA 0.20 0.41 1.02 -0.75 4.62 5.50 2oa1A1 TRP 169 HB2 0.76 -0.14 -0.11 -0.04 3.23 3.70 2oa1A1 TRP 169 HB3 0.59 0.15 -0.09 -0.04 3.23 3.84 2oa1A1 TRP 169 HD1 0.14 0.14 -0.19 -0.04 7.22 7.27 2oa1A1 TRP 169 HE1 0.37 0.02 -0.16 -0.04 10.20 10.39 2oa1A1 TRP 169 HE3 0.34 -0.06 -0.05 -0.04 7.59 7.78 2oa1A1 TRP 169 HZ2 0.09 0.03 -0.04 -0.04 7.44 7.48 2oa1A1 TRP 169 HZ3 0.07 -0.02 0.03 -0.04 7.13 7.17 2oa1A1 TRP 169 HH2 -0.02 0.06 0.14 -0.04 7.19 7.32 2oa1A1 HIS 170 H 0.27 0.66 0.14 -0.55 8.41 8.93 2oa1A1 HIS 170 HA -0.02 0.28 0.97 -0.75 4.63 5.10 2oa1A1 HIS 170 HB2 0.10 0.01 0.08 -0.04 3.26 3.41 2oa1A1 HIS 170 HB3 0.07 -0.01 -0.12 -0.04 3.20 3.10 2oa1A1 HIS 170 HD2 0.06 -0.07 0.05 -0.04 6.97 6.96 2oa1A1 HIS 170 HE1 0.02 0.05 -0.46 -0.04 7.75 7.32 2oa1A1 PHE 171 H -0.26 0.50 0.27 -0.55 8.34 8.29 2oa1A1 PHE 171 HA 0.18 0.23 0.43 -0.75 4.62 4.71 2oa1A1 PHE 171 HB2 0.22 0.09 0.02 -0.04 3.15 3.43 2oa1A1 PHE 171 HB3 0.28 0.15 -0.04 -0.04 3.06 3.41 2oa1A1 PHE 171 HD2 0.39 -0.01 -0.65 -0.04 7.28 6.97 2oa1A1 PHE 171 HE2 0.25 -0.07 -0.19 -0.04 7.38 7.33 2oa1A1 PHE 171 HZ 0.09 -0.06 -0.16 -0.04 7.32 7.15 2oa1A1 ASP 172 H 0.32 0.40 0.13 -0.55 8.40 8.69 2oa1A1 ASP 172 HA 0.23 -0.04 0.78 -0.75 4.63 4.84 2oa1A1 ASP 172 HB2 0.19 0.17 0.10 -0.04 2.71 3.13 2oa1A1 ASP 172 HB3 0.21 0.11 0.20 -0.04 2.70 3.18 2oa1A1 ALA 173 H 0.20 0.18 0.10 -0.55 8.40 8.33 2oa1A1 ALA 173 HA 0.42 0.11 0.27 -0.75 4.34 4.38 2oa1A1 ALA 173 HB3 0.11 0.02 0.05 -0.04 1.41 1.55 2oa1A1 HIS 174 H 0.15 0.09 -0.28 -0.55 8.41 7.83 2oa1A1 HIS 174 HA 0.13 0.01 0.42 -0.75 4.63 4.44 2oa1A1 HIS 174 HB2 0.11 0.03 0.02 -0.04 3.26 3.39 2oa1A1 HIS 174 HB3 0.10 0.09 0.00 -0.04 3.20 3.35 2oa1A1 HIS 174 HD2 0.10 -0.00 0.03 -0.04 6.97 7.06 2oa1A1 HIS 174 HE1 0.11 0.18 -0.26 -0.04 7.75 7.73 2oa1A1 LEU 175 H 0.23 0.31 -0.24 -0.55 8.37 8.12 2oa1A1 LEU 175 HA 0.13 0.09 0.42 -0.75 4.35 4.23 2oa1A1 LEU 175 HB2 0.15 0.10 0.13 -0.04 1.64 1.98 2oa1A1 LEU 175 HB3 0.10 0.16 0.08 -0.04 1.64 1.94 2oa1A1 LEU 175 HG 0.16 -0.14 0.07 -0.04 1.64 1.68 2oa1A1 LEU 175 HD13 0.09 0.09 -0.03 -0.04 0.93 1.03 2oa1A1 LEU 175 HD23 0.10 -0.00 -0.05 -0.04 0.89 0.90 2oa1A1 VAL 176 H 0.11 0.21 -0.15 -0.55 8.24 7.86 2oa1A1 VAL 176 HA 0.08 0.13 0.47 -0.75 4.13 4.06 2oa1A1 VAL 176 HB 0.02 -0.02 0.05 -0.04 2.12 2.12 2oa1A1 VAL 176 HG13 -0.03 -0.00 -0.17 -0.04 0.97 0.72 2oa1A1 VAL 176 HG23 -0.77 0.03 -0.10 -0.04 0.95 0.06 2oa1A1 ALA 177 H 0.13 0.58 -0.14 -0.55 8.40 8.43 2oa1A1 ALA 177 HA 0.19 0.02 0.35 -0.75 4.34 4.15 2oa1A1 ALA 177 HB3 0.20 0.00 -0.05 -0.04 1.41 1.51 2oa1A1 ASP 178 H 0.10 0.49 -0.23 -0.55 8.40 8.22 2oa1A1 ASP 178 HA -0.12 -0.01 0.35 -0.75 4.63 4.10 2oa1A1 ASP 178 HB2 0.09 0.13 0.17 -0.04 2.71 3.06 2oa1A1 ASP 178 HB3 0.03 0.02 -0.07 -0.04 2.70 2.64 2oa1A1 PHE 179 H 0.21 0.58 -0.13 -0.55 8.34 8.45 2oa1A1 PHE 179 HA -0.01 0.04 0.44 -0.75 4.62 4.33 2oa1A1 PHE 179 HB2 0.04 0.10 0.08 -0.04 3.15 3.32 2oa1A1 PHE 179 HB3 0.05 0.04 0.16 -0.04 3.06 3.27 2oa1A1 PHE 179 HD2 0.08 0.02 -0.09 -0.04 7.28 7.24 2oa1A1 PHE 179 HE2 0.01 0.02 -0.11 -0.04 7.38 7.25 2oa1A1 PHE 179 HZ -0.05 0.00 -0.13 -0.04 7.32 7.10 2oa1A1 LEU 180 H 0.17 0.59 -0.24 -0.55 8.37 8.35 2oa1A1 LEU 180 HA 0.04 0.04 0.43 -0.75 4.35 4.11 2oa1A1 LEU 180 HB2 0.22 0.02 0.03 -0.04 1.64 1.87 2oa1A1 LEU 180 HB3 0.30 0.04 -0.12 -0.04 1.64 1.82 2oa1A1 LEU 180 HG 0.42 0.07 -0.04 -0.04 1.64 2.05 2oa1A1 LEU 180 HD13 0.22 -0.04 -0.19 -0.04 0.93 0.87 2oa1A1 LEU 180 HD23 0.26 0.00 -0.09 -0.04 0.89 1.02 2oa1A1 ARG 181 H -0.44 0.68 -0.08 -0.55 8.46 8.07 2oa1A1 ARG 181 HA -1.89 -0.02 0.50 -0.75 4.34 2.18 2oa1A1 ARG 181 HB2 -2.08 -0.07 0.07 -0.04 1.90 -0.21 2oa1A1 ARG 181 HB3 -0.71 0.13 0.16 -0.04 1.80 1.34 2oa1A1 ARG 181 HG2 -0.74 0.04 -0.29 -0.04 1.67 0.64 2oa1A1 ARG 181 HG3 -2.09 -0.04 -0.03 -0.04 1.67 -0.53 2oa1A1 ARG 181 HD2 -0.19 0.02 -0.07 -0.04 3.22 2.94 2oa1A1 ARG 181 HD3 -0.38 -0.08 -0.06 -0.04 3.22 2.67 2oa1A1 ARG 182 H -0.32 0.56 -0.14 -0.55 8.46 8.02 2oa1A1 ARG 182 HA -0.21 -0.01 0.37 -0.75 4.34 3.74 2oa1A1 ARG 182 HB2 -0.21 0.14 0.16 -0.04 1.90 1.95 2oa1A1 ARG 182 HB3 -0.13 -0.03 0.04 -0.04 1.80 1.63 2oa1A1 ARG 182 HG2 -0.12 -0.06 0.02 -0.04 1.67 1.47 2oa1A1 ARG 182 HG3 -0.14 0.18 0.06 -0.04 1.67 1.73 2oa1A1 ARG 182 HD2 -0.05 -0.01 -0.00 -0.04 3.22 3.12 2oa1A1 ARG 182 HD3 -0.03 -0.04 -0.02 -0.04 3.22 3.08 2oa1A1 PHE 183 H -0.18 0.49 -0.15 -0.55 8.34 7.95 2oa1A1 PHE 183 HA -0.21 0.02 0.40 -0.75 4.62 4.07 2oa1A1 PHE 183 HB2 -0.49 0.02 0.06 -0.04 3.15 2.70 2oa1A1 PHE 183 HB3 -0.21 0.00 0.16 -0.04 3.06 2.97 2oa1A1 PHE 183 HD2 -0.10 -0.04 -0.05 -0.04 7.28 7.04 2oa1A1 PHE 183 HE2 -0.08 0.03 -0.06 -0.04 7.38 7.23 2oa1A1 PHE 183 HZ -0.10 0.22 -0.01 -0.04 7.32 7.38 2oa1A1 ALA 184 H 0.02 0.72 0.05 -0.55 8.40 8.63 2oa1A1 ALA 184 HA -0.22 0.05 0.40 -0.75 4.34 3.82 2oa1A1 ALA 184 HB3 0.24 -0.00 -0.02 -0.04 1.41 1.58 2oa1A1 THR 185 H -0.17 0.60 -0.17 -0.55 8.28 7.98 2oa1A1 THR 185 HA -0.01 0.16 0.46 -0.75 4.39 4.25 2oa1A1 THR 185 HB -0.02 -0.04 0.04 -0.04 4.32 4.26 2oa1A1 THR 185 HG23 -0.02 0.02 -0.02 -0.04 1.22 1.15 2oa1A1 GLU 186 H -0.16 0.56 -0.01 -0.55 8.60 8.44 2oa1A1 GLU 186 HA -0.08 0.10 0.61 -0.75 4.29 4.16 2oa1A1 GLU 186 HB2 -0.11 0.16 0.14 -0.04 2.09 2.24 2oa1A1 GLU 186 HB3 -0.08 -0.06 0.06 -0.04 1.99 1.87 2oa1A1 GLU 186 HG2 -0.06 -0.04 0.02 -0.04 2.34 2.22 2oa1A1 GLU 186 HG3 -0.09 -0.06 0.02 -0.04 2.34 2.17 2oa1A1 LYS 187 H -0.29 0.49 0.01 -0.55 8.42 8.08 2oa1A1 LYS 187 HA -0.16 0.20 1.05 -0.75 4.32 4.66 2oa1A1 LYS 187 HB2 -0.74 0.13 0.10 -0.04 1.87 1.31 2oa1A1 LYS 187 HB3 -0.29 -0.01 0.07 -0.04 1.79 1.52 2oa1A1 LYS 187 HG2 -0.09 0.03 -0.10 -0.04 1.46 1.26 2oa1A1 LYS 187 HG3 -0.12 -0.06 -0.15 -0.04 1.46 1.09 2oa1A1 LYS 187 HD2 0.26 -0.02 -0.02 -0.04 1.69 1.87 2oa1A1 LYS 187 HD3 0.06 0.02 -0.01 -0.04 1.68 1.71 2oa1A1 LYS 187 HE2 0.06 -0.04 -0.05 -0.04 2.99 2.91 2oa1A1 LYS 187 HE3 0.07 -0.02 -0.03 -0.04 2.99 2.98 2oa1A1 LEU 188 H -0.28 0.24 0.01 -0.55 8.37 7.80 2oa1A1 LEU 188 HA -0.19 0.25 1.02 -0.75 4.35 4.67 2oa1A1 LEU 188 HB2 -0.19 0.02 0.14 -0.04 1.64 1.57 2oa1A1 LEU 188 HB3 -0.14 -0.01 0.13 -0.04 1.64 1.58 2oa1A1 LEU 188 HG -0.86 -0.03 -0.22 -0.04 1.64 0.49 2oa1A1 LEU 188 HD13 -0.09 -0.07 -0.06 -0.04 0.93 0.66 2oa1A1 LEU 188 HD23 -0.23 0.08 -0.16 -0.04 0.89 0.55 2oa1A1 GLY 189 H -0.11 0.12 -0.16 -0.55 8.43 7.74 2oa1A1 GLY 189 HA2 -0.04 0.06 0.27 -0.51 4.01 3.78 2oa1A1 GLY 189 HA3 -0.05 0.02 0.33 -0.51 4.01 3.80 2oa1A1 VAL 190 H -0.02 0.38 -0.20 -0.55 8.24 7.86 2oa1A1 VAL 190 HA 0.02 0.17 0.62 -0.75 4.13 4.18 2oa1A1 VAL 190 HB 0.16 -0.10 -0.27 -0.04 2.12 1.87 2oa1A1 VAL 190 HG13 0.10 -0.03 -0.35 -0.04 0.97 0.65 2oa1A1 VAL 190 HG23 0.04 0.00 -0.10 -0.04 0.95 0.85 2oa1A1 ARG 191 H 0.05 0.58 0.42 -0.55 8.46 8.94 2oa1A1 ARG 191 HA 0.10 0.09 0.71 -0.75 4.34 4.49 2oa1A1 ARG 191 HB2 0.06 0.07 0.12 -0.04 1.90 2.10 2oa1A1 ARG 191 HB3 0.05 0.02 0.24 -0.04 1.80 2.07 2oa1A1 ARG 191 HG2 0.08 -0.11 -0.21 -0.04 1.67 1.40 2oa1A1 ARG 191 HG3 0.09 0.03 -0.10 -0.04 1.67 1.65 2oa1A1 ARG 191 HD2 0.07 0.03 -0.01 -0.04 3.22 3.27 2oa1A1 ARG 191 HD3 0.08 0.03 -0.01 -0.04 3.22 3.27 2oa1A1 HIS 192 H 0.21 0.22 0.17 -0.55 8.41 8.46 2oa1A1 HIS 192 HA 0.14 0.21 0.98 -0.75 4.63 5.20 2oa1A1 HIS 192 HB2 0.32 0.06 -0.03 -0.04 3.26 3.57 2oa1A1 HIS 192 HB3 0.13 -0.01 0.15 -0.04 3.20 3.43 2oa1A1 HIS 192 HD2 0.18 0.17 -0.09 -0.04 6.97 7.19 2oa1A1 HIS 192 HE1 0.18 -0.03 -0.09 -0.04 7.75 7.77 2oa1A1 VAL 193 H 0.08 0.81 0.31 -0.55 8.24 8.89 2oa1A1 VAL 193 HA -0.05 0.16 0.94 -0.75 4.13 4.42 2oa1A1 VAL 193 HB -0.26 -0.03 0.06 -0.04 2.12 1.85 2oa1A1 VAL 193 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 2oa1A1 VAL 193 HG23 0.07 0.02 -0.20 -0.04 0.95 0.79 2oa1A1 GLU 194 H -0.11 0.22 0.09 -0.55 8.60 8.25 2oa1A1 GLU 194 HA -0.06 0.35 1.10 -0.75 4.29 4.93 2oa1A1 GLU 194 HB2 -0.09 -0.01 0.21 -0.04 2.09 2.16 2oa1A1 GLU 194 HB3 -0.03 0.00 0.11 -0.04 1.99 2.03 2oa1A1 GLU 194 HG2 -0.05 0.02 -0.03 -0.04 2.34 2.23 2oa1A1 GLU 194 HG3 -0.63 -0.05 -0.27 -0.04 2.34 1.35 2oa1A1 ASP 195 H -0.02 0.46 0.06 -0.55 8.40 8.35 2oa1A1 ASP 195 HA 0.02 0.12 0.60 -0.75 4.63 4.62 2oa1A1 ASP 195 HB2 0.04 0.06 -0.49 -0.04 2.71 2.28 2oa1A1 ASP 195 HB3 0.03 -0.02 -0.25 -0.04 2.70 2.42 2oa1A1 ARG 196 H 0.03 0.13 0.14 -0.55 8.46 8.21 2oa1A1 ARG 196 HA 0.01 0.13 0.82 -0.75 4.34 4.55 2oa1A1 ARG 196 HB2 0.02 0.05 0.01 -0.04 1.90 1.94 2oa1A1 ARG 196 HB3 0.03 -0.05 0.14 -0.04 1.80 1.88 2oa1A1 ARG 196 HG2 0.02 0.15 -0.27 -0.04 1.67 1.53 2oa1A1 ARG 196 HG3 0.02 -0.04 0.03 -0.04 1.67 1.64 2oa1A1 ARG 196 HD2 0.02 0.06 -0.03 -0.04 3.22 3.23 2oa1A1 ARG 196 HD3 0.02 -0.00 -0.01 -0.04 3.22 3.19 2oa1A1 VAL 197 H 0.01 0.12 0.07 -0.55 8.24 7.89 2oa1A1 VAL 197 HA 0.05 0.07 0.53 -0.75 4.13 4.03 2oa1A1 VAL 197 HB 0.00 -0.03 0.05 -0.04 2.12 2.11 2oa1A1 VAL 197 HG13 0.01 0.03 -0.27 -0.04 0.97 0.70 2oa1A1 VAL 197 HG23 0.00 -0.00 -0.07 -0.04 0.95 0.84 2oa1A1 GLU 198 H 0.07 0.65 0.46 -0.55 8.60 9.23 2oa1A1 GLU 198 HA 0.05 0.15 0.80 -0.75 4.29 4.54 2oa1A1 GLU 198 HB2 0.05 -0.09 -0.18 -0.04 2.09 1.83 2oa1A1 GLU 198 HB3 0.07 0.11 -0.17 -0.04 1.99 1.97 2oa1A1 GLU 198 HG2 0.06 0.01 -0.19 -0.04 2.34 2.19 2oa1A1 GLU 198 HG3 0.04 -0.01 0.03 -0.04 2.34 2.35 2oa1A1 HIS 199 H 0.10 0.28 0.25 -0.55 8.41 8.49 2oa1A1 HIS 199 HA -0.00 0.14 0.70 -0.75 4.63 4.72 2oa1A1 HIS 199 HB2 0.01 0.12 -0.24 -0.04 3.26 3.11 2oa1A1 HIS 199 HB3 0.01 -0.07 -0.03 -0.04 3.20 3.07 2oa1A1 HIS 199 HD2 0.00 -0.08 -0.29 -0.04 6.97 6.56 2oa1A1 HIS 199 HE1 -0.01 0.02 -0.03 -0.04 7.75 7.69 2oa1A1 VAL 200 H -0.47 0.29 0.12 -0.55 8.24 7.62 2oa1A1 VAL 200 HA -0.19 0.21 1.08 -0.75 4.13 4.49 2oa1A1 VAL 200 HB -0.20 0.04 0.11 -0.04 2.12 2.03 2oa1A1 VAL 200 HG13 -0.22 0.01 -0.12 -0.04 0.97 0.59 2oa1A1 VAL 200 HG23 -0.10 -0.01 -0.16 -0.04 0.95 0.63 2oa1A1 GLN 201 H -0.14 0.61 0.23 -0.55 8.47 8.62 2oa1A1 GLN 201 HA -0.09 0.14 0.76 -0.75 4.36 4.42 2oa1A1 GLN 201 HB2 0.13 -0.01 -0.05 -0.04 2.15 2.18 2oa1A1 GLN 201 HB3 0.02 -0.11 0.11 -0.04 2.02 1.99 2oa1A1 GLN 201 HG2 0.07 -0.02 -0.06 -0.04 2.40 2.34 2oa1A1 GLN 201 HG3 0.03 0.02 -0.15 -0.04 2.39 2.25 2oa1A1 GLN 201 HE21 0.05 -0.03 0.05 -0.04 6.97 6.99 2oa1A1 GLN 201 HE22 0.03 0.16 0.04 -0.04 7.69 7.87 2oa1A1 ARG 202 H -0.05 0.21 0.18 -0.55 8.46 8.24 2oa1A1 ARG 202 HA -0.07 0.08 0.97 -0.75 4.34 4.56 2oa1A1 ARG 202 HB2 -0.04 -0.01 0.02 -0.04 1.90 1.84 2oa1A1 ARG 202 HB3 -0.04 0.03 -0.12 -0.04 1.80 1.63 2oa1A1 ARG 202 HG2 -0.10 -0.03 -0.38 -0.04 1.67 1.13 2oa1A1 ARG 202 HG3 -0.12 -0.13 -0.40 -0.04 1.67 0.99 2oa1A1 ARG 202 HD2 -0.07 0.01 -0.16 -0.04 3.22 2.95 2oa1A1 ARG 202 HD3 -0.05 -0.04 -0.04 -0.04 3.22 3.05 2oa1A1 ASP 203 H -0.02 0.55 0.14 -0.55 8.40 8.52 2oa1A1 ASP 203 HA 0.00 0.24 0.84 -0.75 4.63 4.96 2oa1A1 ASP 203 HB2 0.01 -0.08 0.19 -0.04 2.71 2.79 2oa1A1 ASP 203 HB3 0.01 0.08 0.01 -0.04 2.70 2.76 2oa1A1 ALA 204 H 0.01 0.17 0.16 -0.55 8.40 8.19 2oa1A1 ALA 204 HA 0.00 0.16 0.46 -0.75 4.34 4.21 2oa1A1 ALA 204 HB3 0.00 0.02 0.12 -0.04 1.41 1.51 2oa1A1 ASN 205 H 0.00 0.00 -0.24 -0.55 8.53 7.76 2oa1A1 ASN 205 HA -0.00 0.23 0.74 -0.75 4.76 4.98 2oa1A1 ASN 205 HB2 0.01 -0.09 0.02 -0.04 2.88 2.78 2oa1A1 ASN 205 HB3 0.00 0.06 0.12 -0.04 2.79 2.94 2oa1A1 ASN 205 HD21 0.01 0.03 0.00 -0.04 7.03 7.03 2oa1A1 ASN 205 HD22 0.01 -0.01 0.01 -0.04 7.74 7.72 2oa1A1 GLY 206 H -0.00 0.39 -0.49 -0.55 8.43 7.78 2oa1A1 GLY 206 HA2 -0.01 0.10 0.24 -0.51 4.01 3.83 2oa1A1 GLY 206 HA3 -0.01 0.15 0.49 -0.51 4.01 4.13 2oa1A1 ASN 207 H 0.00 -0.09 -0.36 -0.55 8.53 7.54 2oa1A1 ASN 207 HA 0.00 0.10 0.61 -0.75 4.76 4.72 2oa1A1 ASN 207 HB2 0.02 -0.08 -0.02 -0.04 2.88 2.76 2oa1A1 ASN 207 HB3 0.05 0.15 0.02 -0.04 2.79 2.97 2oa1A1 ASN 207 HD21 0.03 0.06 -0.04 -0.04 7.03 7.04 2oa1A1 ASN 207 HD22 0.03 0.02 -0.02 -0.04 7.74 7.73 2oa1A1 ILE 208 H -0.07 0.08 0.08 -0.55 8.25 7.79 2oa1A1 ILE 208 HA -0.21 0.11 0.60 -0.75 4.18 3.93 2oa1A1 ILE 208 HB -0.81 0.01 -0.00 -0.04 1.89 1.04 2oa1A1 ILE 208 HG12 -0.27 0.05 -0.12 -0.04 1.49 1.11 2oa1A1 ILE 208 HG13 -0.18 -0.01 -0.05 -0.04 1.21 0.93 2oa1A1 ILE 208 HG23 -1.02 0.01 -0.22 -0.04 0.93 -0.34 2oa1A1 ILE 208 HD13 -0.27 -0.01 -0.10 -0.04 0.88 0.46 2oa1A1 GLU 209 H -0.11 0.59 0.42 -0.55 8.60 8.95 2oa1A1 GLU 209 HA 0.08 0.14 0.77 -0.75 4.29 4.54 2oa1A1 GLU 209 HB2 0.01 -0.08 -0.14 -0.04 2.09 1.85 2oa1A1 GLU 209 HB3 -0.00 0.05 -0.09 -0.04 1.99 1.91 2oa1A1 GLU 209 HG2 0.05 -0.01 -0.21 -0.04 2.34 2.13 2oa1A1 GLU 209 HG3 0.05 0.00 -0.02 -0.04 2.34 2.33 2oa1A1 SER 210 H -0.07 0.42 0.30 -0.55 8.46 8.57 2oa1A1 SER 210 HA 0.23 0.21 0.72 -0.75 4.49 4.90 2oa1A1 SER 210 HB2 0.12 0.02 -0.08 -0.04 3.95 3.96 2oa1A1 SER 210 HB3 0.10 0.07 -0.30 -0.04 3.93 3.76 2oa1A1 VAL 211 H 0.20 0.65 0.34 -0.55 8.24 8.89 2oa1A1 VAL 211 HA 0.02 0.24 0.99 -0.75 4.13 4.63 2oa1A1 VAL 211 HB 0.23 0.05 0.08 -0.04 2.12 2.44 2oa1A1 VAL 211 HG13 0.10 -0.03 -0.16 -0.04 0.97 0.84 2oa1A1 VAL 211 HG23 -0.03 -0.01 -0.17 -0.04 0.95 0.70 2oa1A1 ARG 212 H 0.11 0.77 0.38 -0.55 8.46 9.17 2oa1A1 ARG 212 HA 0.14 0.37 1.06 -0.75 4.34 5.16 2oa1A1 ARG 212 HB2 0.12 -0.01 -0.08 -0.04 1.90 1.88 2oa1A1 ARG 212 HB3 0.16 -0.07 0.06 -0.04 1.80 1.91 2oa1A1 ARG 212 HG2 0.07 0.08 -0.22 -0.04 1.67 1.56 2oa1A1 ARG 212 HG3 0.05 0.09 -0.27 -0.04 1.67 1.50 2oa1A1 ARG 212 HD2 0.01 0.04 -0.08 -0.04 3.22 3.15 2oa1A1 ARG 212 HD3 0.02 -0.02 -0.11 -0.04 3.22 3.07 2oa1A1 THR 213 H 0.14 0.62 0.19 -0.55 8.28 8.68 2oa1A1 THR 213 HA 0.09 0.13 0.76 -0.75 4.39 4.63 2oa1A1 THR 213 HB 0.09 -0.07 0.01 -0.04 4.32 4.32 2oa1A1 THR 213 HG23 0.23 0.04 -0.29 -0.04 1.22 1.17 2oa1A1 ALA 214 H 0.05 0.63 0.31 -0.55 8.40 8.85 2oa1A1 ALA 214 HA 0.04 0.12 0.44 -0.75 4.34 4.18 2oa1A1 ALA 214 HB3 0.03 -0.00 0.11 -0.04 1.41 1.51 2oa1A1 THR 215 H 0.06 -0.03 -0.22 -0.55 8.28 7.54 2oa1A1 THR 215 HA 0.03 0.23 0.72 -0.75 4.39 4.61 2oa1A1 THR 215 HB 0.03 0.07 0.13 -0.04 4.32 4.51 2oa1A1 THR 215 HG23 0.04 -0.00 0.02 -0.04 1.22 1.24 2oa1A1 GLY 216 H 0.05 0.50 -0.34 -0.55 8.43 8.09 2oa1A1 GLY 216 HA2 0.02 0.06 0.23 -0.51 4.01 3.81 2oa1A1 GLY 216 HA3 0.01 0.15 0.53 -0.51 4.01 4.19 2oa1A1 ARG 217 H 0.06 -0.11 -0.22 -0.55 8.46 7.64 2oa1A1 ARG 217 HA -0.09 0.16 0.56 -0.75 4.34 4.23 2oa1A1 ARG 217 HB2 0.16 -0.15 0.01 -0.04 1.90 1.88 2oa1A1 ARG 217 HB3 -0.22 0.08 -0.08 -0.04 1.80 1.54 2oa1A1 ARG 217 HG2 -0.05 0.08 -0.04 -0.04 1.67 1.61 2oa1A1 ARG 217 HG3 0.02 0.01 -0.15 -0.04 1.67 1.51 2oa1A1 ARG 217 HD2 0.13 0.01 -0.07 -0.04 3.22 3.25 2oa1A1 ARG 217 HD3 0.04 0.05 -0.05 -0.04 3.22 3.23 2oa1A1 VAL 218 H -0.24 0.22 0.18 -0.55 8.24 7.85 2oa1A1 VAL 218 HA 0.02 0.29 1.08 -0.75 4.13 4.77 2oa1A1 VAL 218 HB -0.08 -0.02 0.09 -0.04 2.12 2.07 2oa1A1 VAL 218 HG13 0.02 -0.01 -0.25 -0.04 0.97 0.68 2oa1A1 VAL 218 HG23 0.00 0.03 -0.15 -0.04 0.95 0.79 2oa1A1 PHE 219 H 0.23 0.74 0.32 -0.55 8.34 9.07 2oa1A1 PHE 219 HA 0.04 0.16 0.92 -0.75 4.62 4.98 2oa1A1 PHE 219 HB2 0.08 -0.08 0.06 -0.04 3.15 3.18 2oa1A1 PHE 219 HB3 0.05 0.09 -0.07 -0.04 3.06 3.09 2oa1A1 PHE 219 HD2 0.03 0.07 -0.17 -0.04 7.28 7.17 2oa1A1 PHE 219 HE2 0.02 -0.03 -0.18 -0.04 7.38 7.15 2oa1A1 PHE 219 HZ 0.02 -0.01 -0.14 -0.04 7.32 7.14 2oa1A1 ASP 220 H 0.10 0.18 0.13 -0.55 8.40 8.26 2oa1A1 ASP 220 HA 0.28 0.24 1.02 -0.75 4.63 5.42 2oa1A1 ASP 220 HB2 0.11 0.12 0.12 -0.04 2.71 3.01 2oa1A1 ASP 220 HB3 0.09 -0.04 -0.00 -0.04 2.70 2.71 2oa1A1 ALA 221 H 0.14 0.52 0.18 -0.55 8.40 8.69 2oa1A1 ALA 221 HA -0.14 0.05 0.45 -0.75 4.34 3.94 2oa1A1 ALA 221 HB3 -0.88 0.04 -0.27 -0.04 1.41 0.25 2oa1A1 ASP 222 H -0.14 0.46 0.33 -0.55 8.40 8.51 2oa1A1 ASP 222 HA 0.01 0.16 0.82 -0.75 4.63 4.87 2oa1A1 ASP 222 HB2 -0.04 0.02 0.20 -0.04 2.71 2.84 2oa1A1 ASP 222 HB3 -0.01 0.04 0.11 -0.04 2.70 2.80 2oa1A1 LEU 223 H -0.26 0.31 0.23 -0.55 8.37 8.10 2oa1A1 LEU 223 HA -0.03 0.26 0.87 -0.75 4.35 4.70 2oa1A1 LEU 223 HB2 -0.15 0.02 -0.18 -0.04 1.64 1.29 2oa1A1 LEU 223 HB3 -0.14 -0.06 0.03 -0.04 1.64 1.42 2oa1A1 LEU 223 HG -0.24 0.01 -0.20 -0.04 1.64 1.17 2oa1A1 LEU 223 HD13 -0.29 0.02 -0.03 -0.04 0.93 0.59 2oa1A1 LEU 223 HD23 -0.39 -0.01 -0.14 -0.04 0.89 0.31 2oa1A1 PHE 224 H 0.14 0.78 0.35 -0.55 8.34 9.06 2oa1A1 PHE 224 HA -0.07 0.27 1.04 -0.75 4.62 5.11 2oa1A1 PHE 224 HB2 -0.05 0.02 0.12 -0.04 3.15 3.20 2oa1A1 PHE 224 HB3 -0.05 -0.09 -0.06 -0.04 3.06 2.81 2oa1A1 PHE 224 HD2 -0.02 0.04 -0.16 -0.04 7.28 7.10 2oa1A1 PHE 224 HE2 0.02 0.17 -0.24 -0.04 7.38 7.28 2oa1A1 PHE 224 HZ 0.02 0.09 -0.26 -0.04 7.32 7.13 2oa1A1 VAL 225 H -0.03 0.75 0.37 -0.55 8.24 8.78 2oa1A1 VAL 225 HA -0.11 0.30 0.91 -0.75 4.13 4.49 2oa1A1 VAL 225 HB -0.10 -0.07 0.16 -0.04 2.12 2.07 2oa1A1 VAL 225 HG13 -0.10 -0.01 -0.17 -0.04 0.97 0.65 2oa1A1 VAL 225 HG23 -0.14 0.03 -0.23 -0.04 0.95 0.57 2oa1A1 ASP 226 H -0.04 0.72 0.24 -0.55 8.40 8.77 2oa1A1 ASP 226 HA -0.02 0.07 0.83 -0.75 4.63 4.75 2oa1A1 ASP 226 HB2 -0.00 0.07 0.03 -0.04 2.71 2.76 2oa1A1 ASP 226 HB3 -0.01 0.08 0.19 -0.04 2.70 2.92 2oa1A1 CYS 227 H -0.07 0.73 0.33 -0.55 8.50 8.94 2oa1A1 CYS 227 HA -0.06 0.20 0.93 -0.75 4.58 4.90 2oa1A1 CYS 227 HB2 -0.13 0.25 0.05 -0.04 2.97 3.10 2oa1A1 CYS 227 HB3 -0.10 -0.21 0.17 -0.04 2.97 2.78 2oa1A1 SER 228 H -0.04 0.04 -0.11 -0.55 8.46 7.81 2oa1A1 SER 228 HA -0.04 0.16 0.49 -0.75 4.49 4.33 2oa1A1 SER 228 HB2 -0.02 0.06 0.12 -0.04 3.95 4.07 2oa1A1 SER 228 HB3 -0.03 0.08 0.04 -0.04 3.93 3.97 2oa1A1 GLY 229 H -0.07 0.01 -0.42 -0.55 8.43 7.39 2oa1A1 GLY 229 HA2 -0.21 -0.07 0.22 -0.51 4.01 3.43 2oa1A1 GLY 229 HA3 -0.13 0.18 0.55 -0.51 4.01 4.10 2oa1A1 PHE 230 H -0.23 0.15 0.07 -0.55 8.34 7.79 2oa1A1 PHE 230 HA -0.10 0.23 0.07 -0.75 4.62 4.07 2oa1A1 PHE 230 HB2 -0.08 -0.00 0.06 -0.04 3.15 3.09 2oa1A1 PHE 230 HB3 -0.14 0.08 -0.02 -0.04 3.06 2.94 2oa1A1 PHE 230 HD2 -0.11 0.10 0.01 -0.04 7.28 7.24 2oa1A1 PHE 230 HE2 -0.21 0.08 -0.02 -0.04 7.38 7.19 2oa1A1 PHE 230 HZ -1.36 0.00 -0.05 -0.04 7.32 5.87 2oa1A1 ARG 231 H 0.06 0.07 -0.32 -0.55 8.46 7.72 2oa1A1 ARG 231 HA 0.01 0.11 0.37 -0.75 4.34 4.07 2oa1A1 ARG 231 HB2 0.01 0.02 -0.09 -0.04 1.90 1.80 2oa1A1 ARG 231 HB3 0.00 -0.03 -0.17 -0.04 1.80 1.56 2oa1A1 ARG 231 HG2 0.01 0.06 0.00 -0.04 1.67 1.70 2oa1A1 ARG 231 HG3 0.03 -0.03 0.01 -0.04 1.67 1.63 2oa1A1 ARG 231 HD2 0.01 0.06 0.03 -0.04 3.22 3.29 2oa1A1 ARG 231 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2oa1A1 GLY 232 H 0.00 0.48 -0.44 -0.55 8.43 7.93 2oa1A1 GLY 232 HA2 0.00 -0.09 0.27 -0.51 4.01 3.69 2oa1A1 GLY 232 HA3 0.02 0.17 0.36 -0.51 4.01 4.04 2oa1A1 LEU 233 H -0.01 0.07 -0.23 -0.55 8.37 7.65 2oa1A1 LEU 233 HA -0.01 0.19 0.24 -0.75 4.35 4.01 2oa1A1 LEU 233 HB2 -0.01 0.04 0.02 -0.04 1.64 1.65 2oa1A1 LEU 233 HB3 -0.02 -0.12 0.04 -0.04 1.64 1.50 2oa1A1 LEU 233 HG -0.03 0.03 -0.23 -0.04 1.64 1.36 2oa1A1 LEU 233 HD13 -0.01 0.03 -0.06 -0.04 0.93 0.85 2oa1A1 LEU 233 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.73 2oa1A1 LEU 234 H -0.02 -0.08 -0.30 -0.55 8.37 7.43 2oa1A1 LEU 234 HA -0.06 0.22 0.75 -0.75 4.35 4.51 2oa1A1 LEU 234 HB2 -0.02 -0.05 0.02 -0.04 1.64 1.54 2oa1A1 LEU 234 HB3 -0.07 0.11 -0.06 -0.04 1.64 1.59 2oa1A1 LEU 234 HG -0.02 -0.14 -0.06 -0.04 1.64 1.37 2oa1A1 LEU 234 HD13 0.03 0.02 -0.18 -0.04 0.93 0.76 2oa1A1 LEU 234 HD23 -0.08 0.03 -0.21 -0.04 0.89 0.59 2oa1A1 ILE 235 H 0.00 -0.07 -0.06 -0.55 8.25 7.58 2oa1A1 ILE 235 HA 0.03 0.12 0.23 -0.75 4.18 3.80 2oa1A1 ILE 235 HB 0.04 -0.07 -0.00 -0.04 1.89 1.81 2oa1A1 ILE 235 HG12 0.08 0.07 -0.01 -0.04 1.49 1.59 2oa1A1 ILE 235 HG13 0.07 0.04 -0.12 -0.04 1.21 1.15 2oa1A1 ILE 235 HG23 0.05 -0.01 0.02 -0.04 0.93 0.95 2oa1A1 ILE 235 HD13 0.09 0.03 -0.09 -0.04 0.88 0.87 2oa1A1 ASN 236 H 0.02 0.19 -0.01 -0.55 8.53 8.19 2oa1A1 ASN 236 HA 0.04 0.28 0.68 -0.75 4.76 5.01 2oa1A1 ASN 236 HB2 0.02 0.11 0.08 -0.04 2.88 3.04 2oa1A1 ASN 236 HB3 0.04 -0.00 -0.06 -0.04 2.79 2.72 2oa1A1 ASN 236 HD21 0.18 -0.06 -0.19 -0.04 7.03 6.93 2oa1A1 ASN 236 HD22 0.10 0.58 -0.10 -0.04 7.74 8.28 2oa1A1 LYS 237 H -0.00 0.44 -0.06 -0.55 8.42 8.24 2oa1A1 LYS 237 HA -0.00 0.11 0.47 -0.75 4.32 4.14 2oa1A1 LYS 237 HB2 -0.01 0.00 0.01 -0.04 1.87 1.83 2oa1A1 LYS 237 HB3 -0.02 0.11 0.17 -0.04 1.79 2.01 2oa1A1 LYS 237 HG2 -0.02 0.03 -0.15 -0.04 1.46 1.28 2oa1A1 LYS 237 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.41 2oa1A1 LYS 237 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.60 2oa1A1 LYS 237 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.56 2oa1A1 LYS 237 HE2 -0.00 -0.03 -0.04 -0.04 2.99 2.88 2oa1A1 LYS 237 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.90 2oa1A1 ALA 238 H -0.03 0.23 -0.02 -0.55 8.40 8.03 2oa1A1 ALA 238 HA -0.06 0.07 0.40 -0.75 4.34 4.00 2oa1A1 ALA 238 HB3 -0.10 -0.02 0.12 -0.04 1.41 1.37 2oa1A1 MET 239 H -0.02 0.57 -0.04 -0.55 8.47 8.43 2oa1A1 MET 239 HA -0.02 0.13 0.43 -0.75 4.52 4.30 2oa1A1 MET 239 HB2 0.01 0.16 0.10 -0.04 2.15 2.38 2oa1A1 MET 239 HB3 0.01 -0.04 0.07 -0.04 2.03 2.04 2oa1A1 MET 239 HG2 -0.04 0.01 -0.06 -0.04 2.63 2.50 2oa1A1 MET 239 HG3 0.01 -0.08 -0.06 -0.04 2.56 2.39 2oa1A1 MET 239 HE3 0.02 -0.01 -0.08 -0.04 2.10 1.99 2oa1A1 GLU 240 H 0.00 0.05 -0.81 -0.55 8.60 7.29 2oa1A1 GLU 240 HA 0.01 0.30 0.25 -0.75 4.29 4.10 2oa1A1 GLU 240 HB2 0.00 0.15 -0.22 -0.04 2.09 1.98 2oa1A1 GLU 240 HB3 0.01 -0.12 0.16 -0.04 1.99 1.99 2oa1A1 GLU 240 HG2 0.00 0.01 -0.01 -0.04 2.34 2.30 2oa1A1 GLU 240 HG3 -0.01 0.17 -0.29 -0.04 2.34 2.18 2oa1A1 GLU 241 H 0.03 0.37 -0.11 -0.55 8.60 8.34 2oa1A1 GLU 241 HA 0.03 0.11 0.64 -0.75 4.29 4.31 2oa1A1 GLU 241 HB2 0.04 0.01 0.01 -0.04 2.09 2.11 2oa1A1 GLU 241 HB3 0.05 -0.02 -0.01 -0.04 1.99 1.97 2oa1A1 GLU 241 HG2 0.05 0.14 -0.01 -0.04 2.34 2.49 2oa1A1 GLU 241 HG3 0.04 -0.03 -0.09 -0.04 2.34 2.21 2oa1A1 PRO 242 HA 0.07 0.05 0.43 -0.51 4.44 4.48 2oa1A1 PRO 242 HB2 0.02 -0.06 -0.05 -0.04 2.28 2.15 2oa1A1 PRO 242 HB3 0.04 0.04 0.07 -0.04 2.02 2.13 2oa1A1 PRO 242 HG2 0.01 -0.01 0.10 -0.04 2.03 2.09 2oa1A1 PRO 242 HG3 0.02 0.10 0.11 -0.04 2.03 2.22 2oa1A1 PRO 242 HD2 0.02 -0.03 0.23 -0.04 3.68 3.85 2oa1A1 PRO 242 HD3 0.02 0.31 0.35 -0.04 3.65 4.28 2oa1A1 PHE 243 H 0.21 0.14 0.15 -0.55 8.34 8.29 2oa1A1 PHE 243 HA 0.01 0.08 0.75 -0.75 4.62 4.71 2oa1A1 PHE 243 HB2 0.02 0.05 -0.03 -0.04 3.15 3.15 2oa1A1 PHE 243 HB3 0.02 -0.04 -0.00 -0.04 3.06 3.00 2oa1A1 PHE 243 HD2 0.02 -0.01 -0.39 -0.04 7.28 6.86 2oa1A1 PHE 243 HE2 0.04 0.01 -0.53 -0.04 7.38 6.86 2oa1A1 PHE 243 HZ 0.10 -0.04 -0.80 -0.04 7.32 6.54 2oa1A1 LEU 244 H -0.64 0.85 0.18 -0.55 8.37 8.22 2oa1A1 LEU 244 HA -0.10 0.10 0.85 -0.75 4.35 4.45 2oa1A1 LEU 244 HB2 -0.24 0.00 0.14 -0.04 1.64 1.50 2oa1A1 LEU 244 HB3 -0.09 0.00 0.01 -0.04 1.64 1.52 2oa1A1 LEU 244 HG -0.14 0.01 -0.17 -0.04 1.64 1.30 2oa1A1 LEU 244 HD13 -0.05 -0.00 -0.04 -0.04 0.93 0.80 2oa1A1 LEU 244 HD23 -0.03 0.01 -0.16 -0.04 0.89 0.66 2oa1A1 ASP 245 H 0.04 0.20 0.09 -0.55 8.40 8.18 2oa1A1 ASP 245 HA 0.21 0.23 0.64 -0.75 4.63 4.96 2oa1A1 ASP 245 HB2 0.21 0.03 0.11 -0.04 2.71 3.02 2oa1A1 ASP 245 HB3 0.09 0.01 0.15 -0.04 2.70 2.91 2oa1A1 MET 246 H 0.18 0.62 0.31 -0.55 8.47 9.03 2oa1A1 MET 246 HA 0.12 0.18 0.92 -0.75 4.52 4.99 2oa1A1 MET 246 HB2 0.26 0.02 0.06 -0.04 2.15 2.45 2oa1A1 MET 246 HB3 0.27 -0.07 0.18 -0.04 2.03 2.38 2oa1A1 MET 246 HG2 0.17 0.00 -0.03 -0.04 2.63 2.74 2oa1A1 MET 246 HG3 0.07 0.14 -0.53 -0.04 2.56 2.20 2oa1A1 MET 246 HE3 0.05 0.02 -0.03 -0.04 2.10 2.10 2oa1A1 SER 247 H 0.11 0.16 -0.06 -0.55 8.46 8.12 2oa1A1 SER 247 HA 0.11 0.34 0.61 -0.75 4.49 4.80 2oa1A1 SER 247 HB2 0.07 0.06 0.13 -0.04 3.95 4.17 2oa1A1 SER 247 HB3 0.10 -0.01 0.13 -0.04 3.93 4.11 2oa1A1 ASP 248 H 0.00 0.06 -0.38 -0.55 8.40 7.54 2oa1A1 ASP 248 HA -0.06 0.16 0.60 -0.75 4.63 4.57 2oa1A1 ASP 248 HB2 -0.19 0.04 0.10 -0.04 2.71 2.62 2oa1A1 ASP 248 HB3 -0.07 -0.01 0.05 -0.04 2.70 2.62 2oa1A1 HIS 249 H 0.06 0.33 -0.29 -0.55 8.41 7.97 2oa1A1 HIS 249 HA 0.03 0.29 0.91 -0.75 4.63 5.10 2oa1A1 HIS 249 HB2 0.06 0.08 0.06 -0.04 3.26 3.42 2oa1A1 HIS 249 HB3 0.03 -0.04 0.01 -0.04 3.20 3.17 2oa1A1 HIS 249 HD2 0.05 -0.01 -0.04 -0.04 6.97 6.92 2oa1A1 HIS 249 HE1 -0.01 -0.01 -0.23 -0.04 7.75 7.45 2oa1A1 LEU 250 H 0.12 0.14 0.04 -0.55 8.37 8.12 2oa1A1 LEU 250 HA 0.07 0.13 0.85 -0.75 4.35 4.65 2oa1A1 LEU 250 HB2 0.17 0.00 0.07 -0.04 1.64 1.85 2oa1A1 LEU 250 HB3 0.15 -0.07 0.01 -0.04 1.64 1.69 2oa1A1 LEU 250 HG 0.17 -0.02 -0.39 -0.04 1.64 1.36 2oa1A1 LEU 250 HD13 0.16 -0.04 -0.00 -0.04 0.93 1.01 2oa1A1 LEU 250 HD23 0.16 0.04 -0.03 -0.04 0.89 1.02 2oa1A1 LEU 251 H -0.07 0.20 0.06 -0.55 8.37 8.02 2oa1A1 LEU 251 HA 0.08 0.19 0.59 -0.75 4.35 4.45 2oa1A1 LEU 251 HB2 -0.06 -0.00 0.00 -0.04 1.64 1.54 2oa1A1 LEU 251 HB3 0.18 -0.10 -0.00 -0.04 1.64 1.68 2oa1A1 LEU 251 HG -0.09 0.05 -0.11 -0.04 1.64 1.45 2oa1A1 LEU 251 HD13 -0.29 0.02 -0.15 -0.04 0.93 0.46 2oa1A1 LEU 251 HD23 0.10 0.04 -0.10 -0.04 0.89 0.89 2oa1A1 ASN 252 H 0.04 0.04 -0.16 -0.55 8.53 7.91 2oa1A1 ASN 252 HA 0.04 0.03 0.28 -0.75 4.76 4.36 2oa1A1 ASN 252 HB2 0.22 -0.05 0.01 -0.04 2.88 3.02 2oa1A1 ASN 252 HB3 0.21 0.01 -0.14 -0.04 2.79 2.82 2oa1A1 ASN 252 HD21 0.25 0.05 -0.08 -0.04 7.03 7.21 2oa1A1 ASN 252 HD22 0.52 -0.05 -0.08 -0.04 7.74 8.09 2oa1A1 ASP 253 H -0.09 0.37 0.49 -0.55 8.40 8.63 2oa1A1 ASP 253 HA 0.31 0.15 0.78 -0.75 4.63 5.12 2oa1A1 ASP 253 HB2 -0.02 0.09 0.23 -0.04 2.71 2.97 2oa1A1 ASP 253 HB3 0.06 0.11 -0.11 -0.04 2.70 2.72 2oa1A1 SER 254 H -0.25 0.34 0.36 -0.55 8.46 8.36 2oa1A1 SER 254 HA -0.94 0.19 1.03 -0.75 4.49 4.02 2oa1A1 SER 254 HB2 -1.93 -0.05 -0.08 -0.04 3.95 1.85 2oa1A1 SER 254 HB3 -0.77 0.10 0.14 -0.04 3.93 3.35 2oa1A1 ALA 255 H -0.48 0.61 0.40 -0.55 8.40 8.38 2oa1A1 ALA 255 HA -0.10 0.43 0.83 -0.75 4.34 4.75 2oa1A1 ALA 255 HB3 0.15 -0.02 -0.12 -0.04 1.41 1.38 2oa1A1 VAL 256 H -0.24 0.52 0.30 -0.55 8.24 8.27 2oa1A1 VAL 256 HA -0.15 0.36 0.87 -0.75 4.13 4.45 2oa1A1 VAL 256 HB -0.14 -0.03 0.10 -0.04 2.12 2.02 2oa1A1 VAL 256 HG13 -0.40 -0.02 -0.06 -0.04 0.97 0.45 2oa1A1 VAL 256 HG23 -0.18 0.00 -0.10 -0.04 0.95 0.63 2oa1A1 ALA 257 H -0.13 0.63 0.35 -0.55 8.40 8.70 2oa1A1 ALA 257 HA -0.42 0.20 1.20 -0.75 4.34 4.57 2oa1A1 ALA 257 HB3 0.03 -0.01 0.02 -0.04 1.41 1.41 2oa1A1 THR 258 H 0.11 0.74 0.43 -0.55 8.28 9.01 2oa1A1 THR 258 HA 0.09 0.03 0.56 -0.75 4.39 4.31 2oa1A1 THR 258 HB 0.19 0.01 -0.10 -0.04 4.32 4.38 2oa1A1 THR 258 HG23 0.09 -0.02 -0.21 -0.04 1.22 1.04 2oa1A1 GLN 259 H -0.01 0.25 0.20 -0.55 8.47 8.37 2oa1A1 GLN 259 HA -0.11 0.23 0.96 -0.75 4.36 4.69 2oa1A1 GLN 259 HB2 0.03 -0.03 -0.05 -0.04 2.15 2.05 2oa1A1 GLN 259 HB3 -0.03 -0.04 0.08 -0.04 2.02 2.00 2oa1A1 GLN 259 HG2 -0.09 0.03 -0.19 -0.04 2.40 2.11 2oa1A1 GLN 259 HG3 -0.01 0.03 -0.09 -0.04 2.39 2.28 2oa1A1 GLN 259 HE21 0.06 -0.14 0.05 -0.04 6.97 6.90 2oa1A1 GLN 259 HE22 0.08 0.72 0.16 -0.04 7.69 8.61 2oa1A1 VAL 260 H -0.54 0.74 0.28 -0.55 8.24 8.17 2oa1A1 VAL 260 HA -0.32 0.21 0.98 -0.75 4.13 4.25 2oa1A1 VAL 260 HB -2.06 -0.05 0.08 -0.04 2.12 0.05 2oa1A1 VAL 260 HG13 -0.32 0.07 -0.03 -0.04 0.97 0.65 2oa1A1 VAL 260 HG23 -0.61 -0.01 -0.21 -0.04 0.95 0.09 2oa1A1 PRO 261 HA -0.06 0.15 0.67 -0.51 4.44 4.68 2oa1A1 PRO 261 HB2 -0.05 -0.01 0.03 -0.04 2.28 2.21 2oa1A1 PRO 261 HB3 -0.04 0.05 0.12 -0.04 2.02 2.11 2oa1A1 PRO 261 HG2 -0.05 0.02 0.11 -0.04 2.03 2.06 2oa1A1 PRO 261 HG3 -0.06 0.03 0.10 -0.04 2.03 2.06 2oa1A1 PRO 261 HD2 -0.12 0.10 0.25 -0.04 3.68 3.86 2oa1A1 PRO 261 HD3 -0.13 0.21 0.24 -0.04 3.65 3.93 2oa1A1 HIS 262 H 0.06 0.64 0.08 -0.55 8.41 8.64 2oa1A1 HIS 262 HA 0.05 0.16 0.79 -0.75 4.63 4.88 2oa1A1 HIS 262 HB2 0.18 0.06 -0.38 -0.04 3.26 3.08 2oa1A1 HIS 262 HB3 0.07 -0.14 -0.33 -0.04 3.20 2.75 2oa1A1 HIS 262 HD2 0.22 0.05 -0.06 -0.04 6.97 7.14 2oa1A1 HIS 262 HE1 -0.03 0.47 -0.09 -0.04 7.75 8.06 2oa1A1 ASP 263 H -0.38 0.24 0.05 -0.55 8.40 7.76 2oa1A1 ASP 263 HA -0.10 0.13 0.83 -0.75 4.63 4.74 2oa1A1 ASP 263 HB2 -0.11 0.09 0.10 -0.04 2.71 2.76 2oa1A1 ASP 263 HB3 -0.19 0.05 0.22 -0.04 2.70 2.75 2oa1A1 ASP 264 H -0.02 0.31 0.10 -0.55 8.40 8.25 2oa1A1 ASP 264 HA 0.01 0.31 0.40 -0.75 4.63 4.60 2oa1A1 ASP 264 HB2 0.04 0.01 0.06 -0.04 2.71 2.78 2oa1A1 ASP 264 HB3 -0.04 -0.01 -0.03 -0.04 2.70 2.59 2oa1A1 ASP 265 H -0.12 0.06 -0.14 -0.55 8.40 7.65 2oa1A1 ASP 265 HA -0.28 0.13 0.51 -0.75 4.63 4.24 2oa1A1 ASP 265 HB2 -0.04 -0.04 0.06 -0.04 2.71 2.64 2oa1A1 ASP 265 HB3 -0.01 0.07 -0.01 -0.04 2.70 2.70 2oa1A1 ALA 266 H -0.12 0.04 -0.22 -0.55 8.40 7.56 2oa1A1 ALA 266 HA -0.05 0.13 0.52 -0.75 4.34 4.19 2oa1A1 ALA 266 HB3 -0.07 0.00 0.08 -0.04 1.41 1.38 2oa1A1 ASN 267 H -0.13 0.20 -0.14 -0.55 8.53 7.91 2oa1A1 ASN 267 HA -0.01 0.19 0.67 -0.75 4.76 4.87 2oa1A1 ASN 267 HB2 -0.06 0.10 0.03 -0.04 2.88 2.90 2oa1A1 ASN 267 HB3 0.08 -0.02 0.06 -0.04 2.79 2.87 2oa1A1 ASN 267 HD21 -0.15 -0.06 0.02 -0.04 7.03 6.80 2oa1A1 ASN 267 HD22 -0.50 0.01 0.05 -0.04 7.74 7.26 2oa1A1 GLY 268 H -0.14 0.29 -0.13 -0.55 8.43 7.91 2oa1A1 GLY 268 HA2 -0.09 -0.01 0.40 -0.51 4.01 3.81 2oa1A1 GLY 268 HA3 0.03 0.11 0.62 -0.51 4.01 4.26 2oa1A1 VAL 269 H 0.08 0.12 0.21 -0.55 8.24 8.10 2oa1A1 VAL 269 HA -0.03 0.17 0.88 -0.75 4.13 4.39 2oa1A1 VAL 269 HB 0.08 -0.10 -0.03 -0.04 2.12 2.03 2oa1A1 VAL 269 HG13 -0.00 0.05 -0.11 -0.04 0.97 0.87 2oa1A1 VAL 269 HG23 0.15 -0.02 -0.16 -0.04 0.95 0.89 2oa1A1 GLU 270 H -0.21 0.13 0.12 -0.55 8.60 8.10 2oa1A1 GLU 270 HA -0.24 0.19 0.69 -0.75 4.29 4.17 2oa1A1 GLU 270 HB2 -0.65 0.01 0.21 -0.04 2.09 1.62 2oa1A1 GLU 270 HB3 -2.00 0.02 0.06 -0.04 1.99 0.03 2oa1A1 GLU 270 HG2 -0.14 0.08 0.00 -0.04 2.34 2.24 2oa1A1 GLU 270 HG3 -0.20 -0.03 0.00 -0.04 2.34 2.07 2oa1A1 PRO 271 HA 0.01 0.36 0.65 -0.51 4.44 4.96 2oa1A1 PRO 271 HB2 0.05 -0.13 0.17 -0.04 2.28 2.33 2oa1A1 PRO 271 HB3 0.03 0.02 0.07 -0.04 2.02 2.10 2oa1A1 PRO 271 HG2 0.18 -0.08 0.06 -0.04 2.03 2.15 2oa1A1 PRO 271 HG3 0.06 0.30 -0.05 -0.04 2.03 2.30 2oa1A1 PRO 271 HD2 0.06 0.12 0.25 -0.04 3.68 4.07 2oa1A1 PRO 271 HD3 0.00 0.31 0.35 -0.04 3.65 4.27 2oa1A1 PHE 272 H -0.28 0.53 -0.48 -0.55 8.34 7.55 2oa1A1 PHE 272 HA 0.11 -0.11 0.80 -0.75 4.62 4.67 2oa1A1 PHE 272 HB2 0.09 0.09 -0.11 -0.04 3.15 3.17 2oa1A1 PHE 272 HB3 0.06 -0.02 -0.17 -0.04 3.06 2.90 2oa1A1 PHE 272 HD2 0.05 0.03 -0.43 -0.04 7.28 6.89 2oa1A1 PHE 272 HE2 0.03 0.15 -0.04 -0.04 7.38 7.49 2oa1A1 PHE 272 HZ 0.03 0.05 -0.04 -0.04 7.32 7.31 2oa1A1 THR 273 H 0.31 0.35 0.37 -0.55 8.28 8.76 2oa1A1 THR 273 HA 0.10 0.32 1.01 -0.75 4.39 5.06 2oa1A1 THR 273 HB 0.14 -0.06 0.17 -0.04 4.32 4.53 2oa1A1 THR 273 HG23 0.19 0.02 -0.06 -0.04 1.22 1.33 2oa1A1 SER 274 H 0.21 0.49 0.40 -0.55 8.46 9.02 2oa1A1 SER 274 HA 0.11 0.21 1.07 -0.75 4.49 5.12 2oa1A1 SER 274 HB2 0.26 -0.06 0.14 -0.04 3.95 4.24 2oa1A1 SER 274 HB3 0.20 0.07 0.08 -0.04 3.93 4.24 2oa1A1 ALA 275 H -0.07 0.69 0.21 -0.55 8.40 8.69 2oa1A1 ALA 275 HA 0.71 0.16 0.79 -0.75 4.34 5.24 2oa1A1 ALA 275 HB3 -0.34 -0.02 0.02 -0.04 1.41 1.03 2oa1A1 ILE 276 H 0.62 0.77 0.22 -0.55 8.25 9.30 2oa1A1 ILE 276 HA 0.30 0.18 0.79 -0.75 4.18 4.69 2oa1A1 ILE 276 HB 0.16 -0.11 0.13 -0.04 1.89 2.03 2oa1A1 ILE 276 HG12 0.16 0.05 -0.08 -0.04 1.49 1.58 2oa1A1 ILE 276 HG13 0.29 -0.12 -0.24 -0.04 1.21 1.11 2oa1A1 ILE 276 HG23 -0.03 0.01 -0.10 -0.04 0.93 0.78 2oa1A1 ILE 276 HD13 0.22 -0.01 -0.11 -0.04 0.88 0.94 2oa1A1 ALA 277 H -0.01 0.70 0.34 -0.55 8.40 8.88 2oa1A1 ALA 277 HA -0.16 -0.04 0.51 -0.75 4.34 3.90 2oa1A1 ALA 277 HB3 -0.79 0.03 -0.03 -0.04 1.41 0.58 2oa1A1 MET 278 H 0.21 0.59 0.34 -0.55 8.47 9.06 2oa1A1 MET 278 HA -0.06 0.16 0.72 -0.75 4.52 4.58 2oa1A1 MET 278 HB2 -0.02 -0.13 -0.33 -0.04 2.15 1.63 2oa1A1 MET 278 HB3 -0.39 -0.15 0.03 -0.04 2.03 1.48 2oa1A1 MET 278 HG2 -0.06 0.16 -0.26 -0.04 2.63 2.43 2oa1A1 MET 278 HG3 -0.69 -0.07 -0.33 -0.04 2.56 1.44 2oa1A1 MET 278 HE3 -0.91 -0.02 -0.16 -0.04 2.10 0.97 2oa1A1 LYS 279 H 0.00 0.06 0.11 -0.55 8.42 8.03 2oa1A1 LYS 279 HA 0.30 0.20 0.56 -0.75 4.32 4.62 2oa1A1 LYS 279 HB2 0.05 -0.08 0.12 -0.04 1.87 1.92 2oa1A1 LYS 279 HB3 0.10 0.01 0.02 -0.04 1.79 1.87 2oa1A1 LYS 279 HG2 0.09 0.21 0.02 -0.04 1.46 1.74 2oa1A1 LYS 279 HG3 0.01 -0.14 0.12 -0.04 1.46 1.41 2oa1A1 LYS 279 HD2 0.06 0.02 0.01 -0.04 1.69 1.74 2oa1A1 LYS 279 HD3 0.03 0.02 -0.04 -0.04 1.68 1.65 2oa1A1 LYS 279 HE2 -0.00 -0.04 0.06 -0.04 2.99 2.96 2oa1A1 LYS 279 HE3 0.03 -0.02 0.02 -0.04 2.99 2.98 2oa1A1 SER 280 H 0.03 0.04 -0.19 -0.55 8.46 7.79 2oa1A1 SER 280 HA -0.78 0.21 0.79 -0.75 4.49 3.96 2oa1A1 SER 280 HB2 -0.04 -0.04 -0.03 -0.04 3.95 3.80 2oa1A1 SER 280 HB3 -0.10 -0.06 0.08 -0.04 3.93 3.81 2oa1A1 GLY 281 H -0.52 0.38 -0.26 -0.55 8.43 7.49 2oa1A1 GLY 281 HA2 -0.65 0.00 0.28 -0.51 4.01 3.13 2oa1A1 GLY 281 HA3 -0.14 0.33 0.79 -0.51 4.01 4.47 2oa1A1 TRP 282 H 0.10 0.66 0.37 -0.55 7.97 8.56 2oa1A1 TRP 282 HA 0.09 0.17 0.76 -0.75 4.62 4.89 2oa1A1 TRP 282 HB2 0.40 0.06 -0.20 -0.04 3.23 3.44 2oa1A1 TRP 282 HB3 0.15 0.08 -0.24 -0.04 3.23 3.18 2oa1A1 TRP 282 HD1 0.57 -0.03 -0.13 -0.04 7.22 7.58 2oa1A1 TRP 282 HE1 0.50 -0.09 -0.09 -0.04 10.20 10.48 2oa1A1 TRP 282 HE3 0.46 0.09 -0.35 -0.04 7.59 7.75 2oa1A1 TRP 282 HZ2 0.33 -0.20 -0.29 -0.04 7.44 7.23 2oa1A1 TRP 282 HZ3 0.44 0.09 -0.08 -0.04 7.13 7.54 2oa1A1 TRP 282 HH2 0.29 0.07 -0.34 -0.04 7.19 7.17 2oa1A1 THR 283 H 0.39 0.86 0.33 -0.55 8.28 9.31 2oa1A1 THR 283 HA -0.15 0.23 1.29 -0.75 4.39 5.00 2oa1A1 THR 283 HB 0.05 0.07 0.06 -0.04 4.32 4.46 2oa1A1 THR 283 HG23 0.33 -0.01 -0.23 -0.04 1.22 1.26 2oa1A1 TRP 284 H -0.16 0.48 0.40 -0.55 7.97 8.14 2oa1A1 TRP 284 HA 0.52 0.38 1.03 -0.75 4.62 5.80 2oa1A1 TRP 284 HB2 0.37 0.04 0.11 -0.04 3.23 3.71 2oa1A1 TRP 284 HB3 0.18 -0.07 0.09 -0.04 3.23 3.39 2oa1A1 TRP 284 HD1 0.14 0.05 -0.45 -0.04 7.22 6.93 2oa1A1 TRP 284 HE1 0.11 0.37 -0.27 -0.04 10.20 10.37 2oa1A1 TRP 284 HE3 -0.31 0.00 -0.00 -0.04 7.59 7.24 2oa1A1 TRP 284 HZ2 0.11 -0.00 -0.14 -0.04 7.44 7.36 2oa1A1 TRP 284 HZ3 0.09 -0.04 -0.12 -0.04 7.13 7.01 2oa1A1 TRP 284 HH2 0.13 -0.05 -0.12 -0.04 7.19 7.11 2oa1A1 LYS 285 H 0.48 0.48 0.34 -0.55 8.42 9.16 2oa1A1 LYS 285 HA 0.31 0.25 0.77 -0.75 4.32 4.90 2oa1A1 LYS 285 HB2 0.36 0.04 -0.03 -0.04 1.87 2.20 2oa1A1 LYS 285 HB3 0.17 -0.11 0.24 -0.04 1.79 2.05 2oa1A1 LYS 285 HG2 -0.23 -0.01 -0.11 -0.04 1.46 1.06 2oa1A1 LYS 285 HG3 -0.55 0.02 0.01 -0.04 1.46 0.89 2oa1A1 LYS 285 HD2 0.06 0.02 -0.01 -0.04 1.69 1.72 2oa1A1 LYS 285 HD3 -0.16 -0.01 0.00 -0.04 1.68 1.48 2oa1A1 LYS 285 HE2 -1.17 -0.04 -0.05 -0.04 2.99 1.69 2oa1A1 LYS 285 HE3 -1.54 0.01 -0.04 -0.04 2.99 1.38 2oa1A1 ILE 286 H 0.31 0.89 0.22 -0.55 8.25 9.12 2oa1A1 ILE 286 HA -0.34 0.20 0.93 -0.75 4.18 4.21 2oa1A1 ILE 286 HB 0.17 0.06 0.10 -0.04 1.89 2.17 2oa1A1 ILE 286 HG12 -0.11 -0.00 -0.10 -0.04 1.49 1.24 2oa1A1 ILE 286 HG13 0.18 -0.03 -0.40 -0.04 1.21 0.92 2oa1A1 ILE 286 HG23 -0.22 -0.03 -0.22 -0.04 0.93 0.42 2oa1A1 ILE 286 HD13 -0.38 -0.03 -0.26 -0.04 0.88 0.17 2oa1A1 PRO 287 HA -0.00 0.02 0.72 -0.51 4.44 4.67 2oa1A1 PRO 287 HB2 -0.03 0.09 0.15 -0.04 2.28 2.45 2oa1A1 PRO 287 HB3 -0.18 -0.03 0.17 -0.04 2.02 1.94 2oa1A1 PRO 287 HG2 -0.26 0.18 0.23 -0.04 2.03 2.14 2oa1A1 PRO 287 HG3 -0.26 -0.04 0.08 -0.04 2.03 1.77 2oa1A1 PRO 287 HD2 -0.35 0.10 0.21 -0.04 3.68 3.61 2oa1A1 PRO 287 HD3 -0.18 0.24 0.06 -0.04 3.65 3.73 2oa1A1 MET 288 H 0.04 0.65 0.38 -0.55 8.47 9.00 2oa1A1 MET 288 HA 0.10 0.13 0.68 -0.75 4.52 4.67 2oa1A1 MET 288 HB2 0.06 0.03 -0.03 -0.04 2.15 2.18 2oa1A1 MET 288 HB3 0.08 -0.00 0.18 -0.04 2.03 2.24 2oa1A1 MET 288 HG2 0.16 0.03 -0.29 -0.04 2.63 2.48 2oa1A1 MET 288 HG3 0.09 0.07 -0.60 -0.04 2.56 2.08 2oa1A1 MET 288 HE3 0.10 0.03 -0.24 -0.04 2.10 1.95 2oa1A1 LEU 289 H 0.01 0.24 0.13 -0.55 8.37 8.20 2oa1A1 LEU 289 HA 0.02 0.08 0.69 -0.75 4.35 4.38 2oa1A1 LEU 289 HB2 -0.08 -0.01 0.18 -0.04 1.64 1.69 2oa1A1 LEU 289 HB3 -0.08 -0.00 0.03 -0.04 1.64 1.55 2oa1A1 LEU 289 HG -0.15 0.24 -0.03 -0.04 1.64 1.66 2oa1A1 LEU 289 HD13 -0.72 -0.01 -0.03 -0.04 0.93 0.13 2oa1A1 LEU 289 HD23 -0.09 0.03 -0.22 -0.04 0.89 0.56 2oa1A1 GLY 290 H 0.09 0.17 0.19 -0.55 8.43 8.33 2oa1A1 GLY 290 HA2 0.10 0.06 0.44 -0.51 4.01 4.09 2oa1A1 GLY 290 HA3 0.04 0.05 0.47 -0.51 4.01 4.06 2oa1A1 ARG 291 H 0.07 0.30 -0.46 -0.55 8.46 7.82 2oa1A1 ARG 291 HA -0.01 0.17 0.62 -0.75 4.34 4.37 2oa1A1 ARG 291 HB2 -0.06 0.02 -0.12 -0.04 1.90 1.69 2oa1A1 ARG 291 HB3 -0.01 0.08 -0.22 -0.04 1.80 1.61 2oa1A1 ARG 291 HG2 0.03 0.03 -0.30 -0.04 1.67 1.38 2oa1A1 ARG 291 HG3 0.03 -0.07 -0.29 -0.04 1.67 1.30 2oa1A1 ARG 291 HD2 0.04 -0.06 -0.05 -0.04 3.22 3.10 2oa1A1 ARG 291 HD3 0.02 -0.04 -0.10 -0.04 3.22 3.07 2oa1A1 PHE 292 H -0.37 0.68 0.22 -0.55 8.34 8.32 2oa1A1 PHE 292 HA -0.08 0.13 0.56 -0.75 4.62 4.47 2oa1A1 PHE 292 HB2 -0.16 0.00 -0.18 -0.04 3.15 2.76 2oa1A1 PHE 292 HB3 -0.25 -0.01 0.02 -0.04 3.06 2.77 2oa1A1 PHE 292 HD2 -0.32 0.01 -0.27 -0.04 7.28 6.66 2oa1A1 PHE 292 HE2 -1.08 0.01 -0.09 -0.04 7.38 6.18 2oa1A1 PHE 292 HZ -0.80 0.04 -0.05 -0.04 7.32 6.48 2oa1A1 GLY 293 H 0.16 0.65 0.20 -0.55 8.43 8.90 2oa1A1 GLY 293 HA2 0.09 0.12 0.95 -0.51 4.01 4.67 2oa1A1 GLY 293 HA3 0.28 0.12 0.21 -0.51 4.01 4.10 2oa1A1 THR 294 H 0.09 0.69 0.44 -0.55 8.28 8.95 2oa1A1 THR 294 HA -0.23 0.21 0.64 -0.75 4.39 4.25 2oa1A1 THR 294 HB 0.01 0.01 -0.09 -0.04 4.32 4.21 2oa1A1 THR 294 HG23 -0.33 -0.02 -0.14 -0.04 1.22 0.69 2oa1A1 GLY 295 H -1.25 0.39 0.27 -0.55 8.43 7.29 2oa1A1 GLY 295 HA2 -0.91 0.23 0.83 -0.51 4.01 3.65 2oa1A1 GLY 295 HA3 -2.49 -0.04 0.35 -0.51 4.01 1.31 2oa1A1 TYR 296 H -0.87 0.60 0.32 -0.55 8.29 7.79 2oa1A1 TYR 296 HA -0.28 0.18 0.89 -0.75 4.56 4.59 2oa1A1 TYR 296 HB2 -0.03 0.04 0.09 -0.04 3.06 3.12 2oa1A1 TYR 296 HB3 -0.45 -0.05 0.23 -0.04 2.98 2.67 2oa1A1 TYR 296 HD2 -0.15 0.26 -0.08 -0.04 7.15 7.13 2oa1A1 TYR 296 HE2 -0.17 -0.05 -0.24 -0.04 6.85 6.35 2oa1A1 VAL 297 H -0.34 0.69 0.40 -0.55 8.24 8.44 2oa1A1 VAL 297 HA -0.04 0.26 1.03 -0.75 4.13 4.62 2oa1A1 VAL 297 HB -0.89 0.03 0.21 -0.04 2.12 1.42 2oa1A1 VAL 297 HG13 0.37 -0.02 -0.09 -0.04 0.97 1.19 2oa1A1 VAL 297 HG23 0.14 -0.01 -0.04 -0.04 0.95 1.01 2oa1A1 TYR 298 H -0.35 0.59 0.29 -0.55 8.29 8.28 2oa1A1 TYR 298 HA -0.36 0.31 1.09 -0.75 4.56 4.85 2oa1A1 TYR 298 HB2 -0.52 0.06 -0.03 -0.04 3.06 2.53 2oa1A1 TYR 298 HB3 -1.41 -0.03 -0.46 -0.04 2.98 1.04 2oa1A1 TYR 298 HD2 -0.43 0.16 -0.33 -0.04 7.15 6.51 2oa1A1 TYR 298 HE2 -0.24 0.05 -0.34 -0.04 6.85 6.28 2oa1A1 SER 299 H -0.07 0.50 0.24 -0.55 8.46 8.57 2oa1A1 SER 299 HA -0.05 0.06 0.98 -0.75 4.49 4.73 2oa1A1 SER 299 HB2 0.22 0.01 -0.18 -0.04 3.95 3.96 2oa1A1 SER 299 HB3 0.36 -0.01 0.15 -0.04 3.93 4.39 2oa1A1 SER 300 H -0.14 0.20 0.20 -0.55 8.46 8.18 2oa1A1 SER 300 HA 0.08 0.23 0.41 -0.75 4.49 4.46 2oa1A1 SER 300 HB2 -0.05 0.01 0.10 -0.04 3.95 3.97 2oa1A1 SER 300 HB3 -0.17 -0.01 0.10 -0.04 3.93 3.80 2oa1A1 ARG 301 H 0.01 0.07 -0.28 -0.55 8.46 7.70 2oa1A1 ARG 301 HA -0.16 0.13 0.57 -0.75 4.34 4.13 2oa1A1 ARG 301 HB2 -0.12 0.00 0.01 -0.04 1.90 1.76 2oa1A1 ARG 301 HB3 -0.46 0.05 0.07 -0.04 1.80 1.41 2oa1A1 ARG 301 HG2 -0.11 0.02 0.00 -0.04 1.67 1.54 2oa1A1 ARG 301 HG3 -0.06 -0.08 -0.01 -0.04 1.67 1.49 2oa1A1 ARG 301 HD2 -0.10 0.04 -0.01 -0.04 3.22 3.10 2oa1A1 ARG 301 HD3 -0.05 -0.00 -0.01 -0.04 3.22 3.12 2oa1A1 PHE 302 H 0.15 0.47 -0.35 -0.55 8.34 8.05 2oa1A1 PHE 302 HA 0.03 0.24 0.96 -0.75 4.62 5.09 2oa1A1 PHE 302 HB2 0.07 0.01 0.06 -0.04 3.15 3.25 2oa1A1 PHE 302 HB3 0.07 -0.08 0.05 -0.04 3.06 3.06 2oa1A1 PHE 302 HD2 0.09 -0.08 -0.12 -0.04 7.28 7.13 2oa1A1 PHE 302 HE2 0.01 0.02 -0.13 -0.04 7.38 7.24 2oa1A1 PHE 302 HZ -0.03 0.05 -0.08 -0.04 7.32 7.22 2oa1A1 ALA 303 H 0.13 0.42 0.14 -0.55 8.40 8.54 2oa1A1 ALA 303 HA 0.02 0.08 0.68 -0.75 4.34 4.37 2oa1A1 ALA 303 HB3 -0.06 -0.02 -0.07 -0.04 1.41 1.22 2oa1A1 THR 304 H -0.03 0.09 0.10 -0.55 8.28 7.89 2oa1A1 THR 304 HA 0.01 0.27 0.70 -0.75 4.39 4.61 2oa1A1 THR 304 HB -0.02 -0.03 0.18 -0.04 4.32 4.40 2oa1A1 THR 304 HG23 -0.02 0.06 0.04 -0.04 1.22 1.26 2oa1A1 GLU 305 H -0.01 0.22 0.14 -0.55 8.60 8.41 2oa1A1 GLU 305 HA -0.10 0.12 0.40 -0.75 4.29 3.96 2oa1A1 GLU 305 HB2 0.02 0.06 0.12 -0.04 2.09 2.24 2oa1A1 GLU 305 HB3 -0.02 -0.01 0.10 -0.04 1.99 2.02 2oa1A1 GLU 305 HG2 -0.04 -0.01 -0.13 -0.04 2.34 2.12 2oa1A1 GLU 305 HG3 0.00 0.02 0.02 -0.04 2.34 2.34 2oa1A1 ASP 306 H -0.05 0.08 -0.16 -0.55 8.40 7.73 2oa1A1 ASP 306 HA -0.04 0.14 0.39 -0.75 4.63 4.36 2oa1A1 ASP 306 HB2 -0.03 -0.05 0.09 -0.04 2.71 2.67 2oa1A1 ASP 306 HB3 -0.03 0.08 -0.05 -0.04 2.70 2.66 2oa1A1 GLU 307 H -0.07 0.04 -0.16 -0.55 8.60 7.87 2oa1A1 GLU 307 HA -0.04 0.09 0.46 -0.75 4.29 4.05 2oa1A1 GLU 307 HB2 -0.08 -0.00 0.12 -0.04 2.09 2.09 2oa1A1 GLU 307 HB3 -0.04 0.06 0.01 -0.04 1.99 1.98 2oa1A1 GLU 307 HG2 -0.02 0.08 0.06 -0.04 2.34 2.42 2oa1A1 GLU 307 HG3 -0.03 -0.07 0.07 -0.04 2.34 2.27 2oa1A1 ALA 308 H -0.27 0.45 -0.35 -0.55 8.40 7.69 2oa1A1 ALA 308 HA -0.09 0.01 0.38 -0.75 4.34 3.89 2oa1A1 ALA 308 HB3 -1.15 0.04 -0.06 -0.04 1.41 0.20 2oa1A1 VAL 309 H -0.13 0.49 -0.14 -0.55 8.24 7.91 2oa1A1 VAL 309 HA 0.06 0.03 0.47 -0.75 4.13 3.94 2oa1A1 VAL 309 HB -0.02 0.06 0.19 -0.04 2.12 2.32 2oa1A1 VAL 309 HG13 0.04 0.00 -0.12 -0.04 0.97 0.85 2oa1A1 VAL 309 HG23 -0.04 0.04 0.02 -0.04 0.95 0.93 2oa1A1 ARG 310 H -0.01 0.55 -0.10 -0.55 8.46 8.34 2oa1A1 ARG 310 HA 0.01 0.03 0.40 -0.75 4.34 4.02 2oa1A1 ARG 310 HB2 -0.02 0.04 0.19 -0.04 1.90 2.07 2oa1A1 ARG 310 HB3 -0.02 -0.00 0.00 -0.04 1.80 1.74 2oa1A1 ARG 310 HG2 -0.01 -0.02 0.03 -0.04 1.67 1.63 2oa1A1 ARG 310 HG3 -0.01 0.09 0.04 -0.04 1.67 1.75 2oa1A1 ARG 310 HD2 -0.01 0.02 -0.00 -0.04 3.22 3.18 2oa1A1 ARG 310 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 2oa1A1 GLU 311 H 0.01 0.68 0.01 -0.55 8.60 8.75 2oa1A1 GLU 311 HA -0.07 0.02 0.44 -0.75 4.29 3.93 2oa1A1 GLU 311 HB2 0.12 0.04 0.15 -0.04 2.09 2.36 2oa1A1 GLU 311 HB3 -0.14 -0.07 0.00 -0.04 1.99 1.75 2oa1A1 GLU 311 HG2 -0.03 -0.03 0.09 -0.04 2.34 2.32 2oa1A1 GLU 311 HG3 -0.00 0.16 0.12 -0.04 2.34 2.58 2oa1A1 PHE 312 H 0.19 0.47 -0.31 -0.55 8.34 8.14 2oa1A1 PHE 312 HA -0.21 0.01 0.37 -0.75 4.62 4.03 2oa1A1 PHE 312 HB2 0.14 -0.03 0.12 -0.04 3.15 3.33 2oa1A1 PHE 312 HB3 0.03 0.13 0.17 -0.04 3.06 3.34 2oa1A1 PHE 312 HD2 0.02 0.01 -0.10 -0.04 7.28 7.16 2oa1A1 PHE 312 HE2 0.06 -0.01 -0.26 -0.04 7.38 7.13 2oa1A1 PHE 312 HZ -0.07 0.01 -0.20 -0.04 7.32 7.01 2oa1A1 CYS 313 H 0.10 0.62 -0.02 -0.55 8.50 8.65 2oa1A1 CYS 313 HA -0.14 -0.01 0.48 -0.75 4.58 4.15 2oa1A1 CYS 313 HB2 0.01 0.04 0.10 -0.04 2.97 3.08 2oa1A1 CYS 313 HB3 -0.01 0.20 -0.12 -0.04 2.97 3.00 2oa1A1 GLU 314 H -0.08 0.70 -0.03 -0.55 8.60 8.65 2oa1A1 GLU 314 HA -0.15 0.00 0.45 -0.75 4.29 3.83 2oa1A1 GLU 314 HB2 -0.12 0.15 0.18 -0.04 2.09 2.26 2oa1A1 GLU 314 HB3 -0.16 -0.00 0.00 -0.04 1.99 1.79 2oa1A1 GLU 314 HG2 -0.08 -0.03 0.04 -0.04 2.34 2.24 2oa1A1 GLU 314 HG3 -0.06 -0.03 0.06 -0.04 2.34 2.27 2oa1A1 MET 315 H -0.33 0.37 -0.30 -0.55 8.47 7.67 2oa1A1 MET 315 HA -0.44 0.04 0.33 -0.75 4.52 3.68 2oa1A1 MET 315 HB2 -0.59 -0.15 -0.09 -0.04 2.15 1.28 2oa1A1 MET 315 HB3 -0.46 0.13 0.04 -0.04 2.03 1.70 2oa1A1 MET 315 HG2 -0.98 0.25 0.06 -0.04 2.63 1.91 2oa1A1 MET 315 HG3 -2.03 -0.03 -0.32 -0.04 2.56 0.15 2oa1A1 MET 315 HE3 -0.54 -0.03 -0.44 -0.04 2.10 1.05 2oa1A1 TRP 316 H -0.29 0.32 -0.23 -0.55 7.97 7.23 2oa1A1 TRP 316 HA -0.01 0.13 0.67 -0.75 4.62 4.66 2oa1A1 TRP 316 HB2 -0.31 0.01 0.03 -0.04 3.23 2.92 2oa1A1 TRP 316 HB3 -0.06 -0.02 0.07 -0.04 3.23 3.18 2oa1A1 TRP 316 HD1 -1.16 0.02 -0.10 -0.04 7.22 5.94 2oa1A1 TRP 316 HE1 -0.06 -0.06 -0.10 -0.04 10.20 9.93 2oa1A1 TRP 316 HE3 0.12 0.06 -0.01 -0.04 7.59 7.73 2oa1A1 TRP 316 HZ2 0.03 0.03 -0.12 -0.04 7.44 7.35 2oa1A1 TRP 316 HZ3 -0.08 0.01 -0.03 -0.04 7.13 6.99 2oa1A1 TRP 316 HH2 -0.14 0.01 -0.05 -0.04 7.19 6.98 2oa1A1 HIS 317 H -0.32 0.35 -0.36 -0.55 8.41 7.54 2oa1A1 HIS 317 HA 0.01 0.03 0.31 -0.75 4.63 4.22 2oa1A1 HIS 317 HB2 0.07 0.08 0.07 -0.04 3.26 3.44 2oa1A1 HIS 317 HB3 0.03 -0.09 0.14 -0.04 3.20 3.24 2oa1A1 HIS 317 HD2 0.11 0.00 -0.26 -0.04 6.97 6.78 2oa1A1 HIS 317 HE1 -0.02 -0.07 0.01 -0.04 7.75 7.63 2oa1A1 LEU 318 H 0.02 0.38 -0.12 -0.55 8.37 8.10 2oa1A1 LEU 318 HA 0.04 0.14 0.74 -0.75 4.35 4.51 2oa1A1 LEU 318 HB2 -0.01 -0.08 -0.06 -0.04 1.64 1.45 2oa1A1 LEU 318 HB3 0.01 -0.04 0.00 -0.04 1.64 1.56 2oa1A1 LEU 318 HG 0.07 0.01 -0.26 -0.04 1.64 1.42 2oa1A1 LEU 318 HD13 -0.15 -0.01 -0.12 -0.04 0.93 0.61 2oa1A1 LEU 318 HD23 -0.03 0.03 -0.08 -0.04 0.89 0.77 2oa1A1 ASP 319 H 0.02 0.16 0.10 -0.55 8.40 8.13 2oa1A1 ASP 319 HA 0.02 0.21 0.70 -0.75 4.63 4.80 2oa1A1 ASP 319 HB2 0.02 0.11 0.07 -0.04 2.71 2.87 2oa1A1 ASP 319 HB3 0.01 -0.07 0.18 -0.04 2.70 2.78 2oa1A1 PRO 320 HA 0.04 0.12 0.16 -0.51 4.44 4.24 2oa1A1 PRO 320 HB2 0.02 0.02 -0.06 -0.04 2.28 2.21 2oa1A1 PRO 320 HB3 0.03 0.02 -0.03 -0.04 2.02 2.00 2oa1A1 PRO 320 HG2 0.01 0.02 0.03 -0.04 2.03 2.05 2oa1A1 PRO 320 HG3 0.01 0.09 0.02 -0.04 2.03 2.11 2oa1A1 PRO 320 HD2 0.01 0.04 0.15 -0.04 3.68 3.84 2oa1A1 PRO 320 HD3 0.01 0.31 0.27 -0.04 3.65 4.20 2oa1A1 GLU 321 H 0.01 0.07 -0.31 -0.55 8.60 7.83 2oa1A1 GLU 321 HA 0.01 0.11 0.46 -0.75 4.29 4.12 2oa1A1 GLU 321 HB2 0.01 0.00 -0.06 -0.04 2.09 2.00 2oa1A1 GLU 321 HB3 0.01 0.03 0.06 -0.04 1.99 2.04 2oa1A1 GLU 321 HG2 0.01 -0.07 0.01 -0.04 2.34 2.25 2oa1A1 GLU 321 HG3 0.01 0.03 -0.00 -0.04 2.34 2.33 2oa1A1 THR 322 H 0.02 0.27 -0.32 -0.55 8.28 7.70 2oa1A1 THR 322 HA 0.01 0.18 0.76 -0.75 4.39 4.59 2oa1A1 THR 322 HB 0.01 -0.11 -0.01 -0.04 4.32 4.17 2oa1A1 THR 322 HG23 0.01 0.00 -0.15 -0.04 1.22 1.04 2oa1A1 GLN 323 H 0.02 0.45 0.15 -0.55 8.47 8.54 2oa1A1 GLN 323 HA 0.01 0.08 0.49 -0.75 4.36 4.19 2oa1A1 GLN 323 HB2 0.02 -0.10 0.06 -0.04 2.15 2.09 2oa1A1 GLN 323 HB3 0.05 -0.04 -0.05 -0.04 2.02 1.94 2oa1A1 GLN 323 HG2 0.05 -0.08 -0.13 -0.04 2.40 2.20 2oa1A1 GLN 323 HG3 0.05 0.20 -0.24 -0.04 2.39 2.37 2oa1A1 GLN 323 HE21 -0.07 0.10 0.12 -0.04 6.97 7.08 2oa1A1 GLN 323 HE22 -0.01 -0.02 0.07 -0.04 7.69 7.69 2oa1A1 PRO 324 HA 0.03 0.07 0.63 -0.51 4.44 4.65 2oa1A1 PRO 324 HB2 0.02 -0.07 0.11 -0.04 2.28 2.30 2oa1A1 PRO 324 HB3 0.02 0.01 0.12 -0.04 2.02 2.13 2oa1A1 PRO 324 HG2 0.00 -0.00 0.15 -0.04 2.03 2.14 2oa1A1 PRO 324 HG3 0.01 0.08 0.13 -0.04 2.03 2.21 2oa1A1 PRO 324 HD2 0.00 0.07 0.28 -0.04 3.68 3.99 2oa1A1 PRO 324 HD3 0.00 0.19 0.31 -0.04 3.65 4.11 2oa1A1 LEU 325 H 0.04 0.22 0.19 -0.55 8.37 8.27 2oa1A1 LEU 325 HA 0.07 0.30 0.97 -0.75 4.35 4.94 2oa1A1 LEU 325 HB2 0.03 -0.04 0.01 -0.04 1.64 1.61 2oa1A1 LEU 325 HB3 0.03 -0.05 -0.07 -0.04 1.64 1.51 2oa1A1 LEU 325 HG 0.07 0.18 -0.49 -0.04 1.64 1.36 2oa1A1 LEU 325 HD13 0.07 -0.02 -0.06 -0.04 0.93 0.87 2oa1A1 LEU 325 HD23 0.22 0.01 -0.22 -0.04 0.89 0.86 2oa1A1 ASN 326 H 0.04 0.78 0.34 -0.55 8.53 9.15 2oa1A1 ASN 326 HA 0.04 0.16 0.93 -0.75 4.76 5.13 2oa1A1 ASN 326 HB2 0.08 -0.02 0.16 -0.04 2.88 3.06 2oa1A1 ASN 326 HB3 0.08 0.01 -0.02 -0.04 2.79 2.81 2oa1A1 ASN 326 HD21 0.07 -0.21 0.06 -0.04 7.03 6.91 2oa1A1 ASN 326 HD22 0.05 0.18 0.10 -0.04 7.74 8.04 2oa1A1 ARG 327 H 0.00 0.24 0.12 -0.55 8.46 8.27 2oa1A1 ARG 327 HA -0.05 0.26 1.02 -0.75 4.34 4.82 2oa1A1 ARG 327 HB2 -0.02 -0.00 0.16 -0.04 1.90 1.99 2oa1A1 ARG 327 HB3 -0.03 -0.01 0.05 -0.04 1.80 1.76 2oa1A1 ARG 327 HG2 -0.03 0.00 -0.00 -0.04 1.67 1.60 2oa1A1 ARG 327 HG3 -0.02 -0.03 -0.27 -0.04 1.67 1.31 2oa1A1 ARG 327 HD2 -0.01 0.05 -0.01 -0.04 3.22 3.22 2oa1A1 ARG 327 HD3 -0.02 -0.03 -0.00 -0.04 3.22 3.13 2oa1A1 ILE 328 H -0.14 0.64 0.35 -0.55 8.25 8.55 2oa1A1 ILE 328 HA -0.10 0.16 0.90 -0.75 4.18 4.38 2oa1A1 ILE 328 HB -0.26 -0.08 -0.02 -0.04 1.89 1.49 2oa1A1 ILE 328 HG12 0.08 0.03 -0.27 -0.04 1.49 1.29 2oa1A1 ILE 328 HG13 0.00 -0.10 -0.72 -0.04 1.21 0.36 2oa1A1 ILE 328 HG23 0.04 0.01 -0.14 -0.04 0.93 0.80 2oa1A1 ILE 328 HD13 0.22 -0.02 -0.17 -0.04 0.88 0.88 2oa1A1 ARG 329 H -0.21 0.23 0.19 -0.55 8.46 8.12 2oa1A1 ARG 329 HA -0.49 0.20 1.02 -0.75 4.34 4.32 2oa1A1 ARG 329 HB2 -0.22 -0.01 0.12 -0.04 1.90 1.76 2oa1A1 ARG 329 HB3 -0.18 -0.04 0.15 -0.04 1.80 1.69 2oa1A1 ARG 329 HG2 -0.15 -0.04 -0.04 -0.04 1.67 1.40 2oa1A1 ARG 329 HG3 -0.24 -0.03 -0.43 -0.04 1.67 0.93 2oa1A1 ARG 329 HD2 -0.14 0.06 0.01 -0.04 3.22 3.10 2oa1A1 ARG 329 HD3 -0.24 0.27 0.22 -0.04 3.22 3.42 2oa1A1 PHE 330 H -0.50 0.87 0.26 -0.55 8.34 8.41 2oa1A1 PHE 330 HA -0.94 0.07 0.76 -0.75 4.62 3.76 2oa1A1 PHE 330 HB2 -0.09 0.01 -0.32 -0.04 3.15 2.71 2oa1A1 PHE 330 HB3 -0.54 0.07 -0.24 -0.04 3.06 2.31 2oa1A1 PHE 330 HD2 -0.11 0.00 -0.32 -0.04 7.28 6.82 2oa1A1 PHE 330 HE2 0.16 0.01 -0.23 -0.04 7.38 7.29 2oa1A1 PHE 330 HZ 0.29 0.01 -0.24 -0.04 7.32 7.34 2oa1A1 ARG 331 H -1.15 0.10 0.09 -0.55 8.46 6.95 2oa1A1 ARG 331 HA -0.15 0.09 0.58 -0.75 4.34 4.12 2oa1A1 ARG 331 HB2 -0.55 -0.03 0.05 -0.04 1.90 1.33 2oa1A1 ARG 331 HB3 -0.23 -0.00 0.00 -0.04 1.80 1.53 2oa1A1 ARG 331 HG2 -1.52 0.01 -0.30 -0.04 1.67 -0.19 2oa1A1 ARG 331 HG3 -0.52 0.01 -0.07 -0.04 1.67 1.04 2oa1A1 ARG 331 HD2 -0.90 0.01 -0.13 -0.04 3.22 2.15 2oa1A1 ARG 331 HD3 -0.36 0.01 -0.06 -0.04 3.22 2.77 2oa1A1 VAL 332 H 0.24 0.18 0.07 -0.55 8.24 8.18 2oa1A1 VAL 332 HA 0.52 0.30 0.92 -0.75 4.13 5.12 2oa1A1 VAL 332 HB 0.26 -0.05 0.10 -0.04 2.12 2.38 2oa1A1 VAL 332 HG13 0.30 -0.00 -0.08 -0.04 0.97 1.15 2oa1A1 VAL 332 HG23 0.37 0.08 -0.21 -0.04 0.95 1.15 2oa1A1 GLY 333 H 0.48 0.58 0.33 -0.55 8.43 9.27 2oa1A1 GLY 333 HA2 0.27 -0.03 0.36 -0.51 4.01 4.10 2oa1A1 GLY 333 HA3 -0.08 0.36 0.86 -0.51 4.01 4.64 2oa1A1 ARG 334 H -0.72 0.57 0.24 -0.55 8.46 8.00 2oa1A1 ARG 334 HA -0.31 0.18 0.85 -0.75 4.34 4.31 2oa1A1 ARG 334 HB2 -0.39 0.07 0.08 -0.04 1.90 1.62 2oa1A1 ARG 334 HB3 -1.24 -0.09 -0.17 -0.04 1.80 0.25 2oa1A1 ARG 334 HG2 -0.22 -0.12 -0.10 -0.04 1.67 1.18 2oa1A1 ARG 334 HG3 -0.25 0.09 -0.16 -0.04 1.67 1.31 2oa1A1 ARG 334 HD2 -0.12 0.14 -0.09 -0.04 3.22 3.12 2oa1A1 ARG 334 HD3 -0.07 -0.09 -0.06 -0.04 3.22 2.96 2oa1A1 ASN 335 H -0.07 0.55 0.20 -0.55 8.53 8.67 2oa1A1 ASN 335 HA -0.04 0.06 0.68 -0.75 4.76 4.70 2oa1A1 ASN 335 HB2 0.03 -0.08 -0.18 -0.04 2.88 2.60 2oa1A1 ASN 335 HB3 0.05 0.06 -0.06 -0.04 2.79 2.80 2oa1A1 ASN 335 HD21 0.11 0.37 0.22 -0.04 7.03 7.70 2oa1A1 ASN 335 HD22 0.08 -0.09 0.09 -0.04 7.74 7.79 2oa1A1 ARG 336 H -0.03 0.68 0.22 -0.55 8.46 8.78 2oa1A1 ARG 336 HA -0.05 0.02 0.44 -0.75 4.34 4.00 2oa1A1 ARG 336 HB2 -0.02 0.03 0.11 -0.04 1.90 1.99 2oa1A1 ARG 336 HB3 0.00 -0.01 0.14 -0.04 1.80 1.90 2oa1A1 ARG 336 HG2 -0.01 -0.01 -0.12 -0.04 1.67 1.50 2oa1A1 ARG 336 HG3 -0.01 -0.03 0.06 -0.04 1.67 1.64 2oa1A1 ARG 336 HD2 -0.00 -0.03 0.00 -0.04 3.22 3.14 2oa1A1 ARG 336 HD3 -0.00 -0.01 0.03 -0.04 3.22 3.20 2oa1A1 ARG 337 H 0.02 0.22 -0.16 -0.55 8.46 7.99 2oa1A1 ARG 337 HA 0.03 0.14 0.72 -0.75 4.34 4.47 2oa1A1 ARG 337 HB2 0.04 -0.00 -0.03 -0.04 1.90 1.86 2oa1A1 ARG 337 HB3 0.05 0.08 -0.02 -0.04 1.80 1.87 2oa1A1 ARG 337 HG2 0.00 0.05 -0.04 -0.04 1.67 1.64 2oa1A1 ARG 337 HG3 0.00 -0.07 -0.44 -0.04 1.67 1.13 2oa1A1 ARG 337 HD2 -0.02 0.04 0.00 -0.04 3.22 3.20 2oa1A1 ARG 337 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.12 2oa1A1 ALA 338 H 0.11 0.17 0.09 -0.55 8.40 8.21 2oa1A1 ALA 338 HA 0.12 0.08 0.51 -0.75 4.34 4.30 2oa1A1 ALA 338 HB3 0.19 0.03 0.07 -0.04 1.41 1.66 2oa1A1 TRP 339 H 0.35 0.14 -0.11 -0.55 7.97 7.80 2oa1A1 TRP 339 HA -0.00 0.31 0.97 -0.75 4.62 5.15 2oa1A1 TRP 339 HB2 -0.15 -0.04 -0.10 -0.04 3.23 2.90 2oa1A1 TRP 339 HB3 0.11 -0.03 0.09 -0.04 3.23 3.37 2oa1A1 TRP 339 HD1 -0.06 0.09 -0.47 -0.04 7.22 6.73 2oa1A1 TRP 339 HE1 -0.11 0.24 -0.11 -0.04 10.20 10.19 2oa1A1 TRP 339 HE3 -0.85 -0.07 -0.06 -0.04 7.59 6.57 2oa1A1 TRP 339 HZ2 -0.21 -0.00 -0.04 -0.04 7.44 7.15 2oa1A1 TRP 339 HZ3 -0.18 0.10 -0.14 -0.04 7.13 6.87 2oa1A1 TRP 339 HH2 -0.20 0.19 -0.02 -0.04 7.19 7.11 2oa1A1 VAL 340 H 0.33 0.63 0.21 -0.55 8.24 8.86 2oa1A1 VAL 340 HA 0.03 0.13 0.82 -0.75 4.13 4.35 2oa1A1 VAL 340 HB 0.08 -0.02 0.06 -0.04 2.12 2.20 2oa1A1 VAL 340 HG13 0.02 0.01 -0.07 -0.04 0.97 0.90 2oa1A1 VAL 340 HG23 0.06 0.01 -0.22 -0.04 0.95 0.76 2oa1A1 GLY 341 H -0.02 0.16 0.08 -0.55 8.43 8.10 2oa1A1 GLY 341 HA2 0.02 0.09 0.33 -0.51 4.01 3.94 2oa1A1 GLY 341 HA3 0.06 0.01 0.42 -0.51 4.01 4.00 2oa1A1 ASN 342 H 0.12 0.06 0.23 -0.55 8.53 8.39 2oa1A1 ASN 342 HA 0.29 0.23 0.86 -0.75 4.76 5.39 2oa1A1 ASN 342 HB2 0.15 0.17 0.32 -0.04 2.88 3.48 2oa1A1 ASN 342 HB3 0.13 0.03 0.10 -0.04 2.79 3.01 2oa1A1 ASN 342 HD21 0.24 0.47 0.10 -0.04 7.03 7.80 2oa1A1 ASN 342 HD22 0.25 0.17 0.02 -0.04 7.74 8.14 2oa1A1 CYS 343 H 0.23 0.67 -0.17 -0.55 8.50 8.67 2oa1A1 CYS 343 HA 0.06 0.28 1.00 -0.75 4.58 5.16 2oa1A1 CYS 343 HB2 0.03 -0.07 -0.03 -0.04 2.97 2.86 2oa1A1 CYS 343 HB3 0.08 0.15 0.18 -0.04 2.97 3.34 2oa1A1 VAL 344 H -0.18 0.66 0.31 -0.55 8.24 8.48 2oa1A1 VAL 344 HA -0.18 0.17 0.98 -0.75 4.13 4.34 2oa1A1 VAL 344 HB -0.41 -0.09 0.06 -0.04 2.12 1.64 2oa1A1 VAL 344 HG13 -0.62 0.02 -0.15 -0.04 0.97 0.18 2oa1A1 VAL 344 HG23 -1.44 0.03 -0.16 -0.04 0.95 -0.66 2oa1A1 SER 345 H 0.07 0.87 0.31 -0.55 8.46 9.16 2oa1A1 SER 345 HA -0.01 0.06 1.01 -0.75 4.49 4.79 2oa1A1 SER 345 HB2 0.03 -0.15 -0.27 -0.04 3.95 3.53 2oa1A1 SER 345 HB3 0.05 -0.07 0.04 -0.04 3.93 3.90 2oa1A1 ILE 346 H -0.02 0.57 0.21 -0.55 8.25 8.46 2oa1A1 ILE 346 HA 0.01 0.17 0.81 -0.75 4.18 4.42 2oa1A1 ILE 346 HB -0.05 -0.03 -0.06 -0.04 1.89 1.71 2oa1A1 ILE 346 HG12 -0.06 -0.04 -0.76 -0.04 1.49 0.59 2oa1A1 ILE 346 HG13 -0.08 0.01 -0.21 -0.04 1.21 0.89 2oa1A1 ILE 346 HG23 -0.05 -0.01 -0.11 -0.04 0.93 0.72 2oa1A1 ILE 346 HD13 0.02 0.04 -0.17 -0.04 0.88 0.73 2oa1A1 GLY 347 H 0.01 0.28 0.12 -0.55 8.43 8.29 2oa1A1 GLY 347 HA2 0.03 0.10 0.32 -0.51 4.01 3.95 2oa1A1 GLY 347 HA3 -0.02 0.04 0.78 -0.51 4.01 4.29 2oa1A1 THR 348 H -0.08 0.09 0.18 -0.55 8.28 7.91 2oa1A1 THR 348 HA 0.08 0.53 0.29 -0.75 4.39 4.54 2oa1A1 THR 348 HB -0.84 0.09 0.02 -0.04 4.32 3.54 2oa1A1 THR 348 HG23 -0.08 0.02 0.05 -0.04 1.22 1.17 2oa1A1 SER 349 H -0.05 0.00 -0.36 -0.55 8.46 7.51 2oa1A1 SER 349 HA 0.01 0.25 0.37 -0.75 4.49 4.36 2oa1A1 SER 349 HB2 0.00 -0.11 0.03 -0.04 3.95 3.84 2oa1A1 SER 349 HB3 -0.03 -0.28 0.00 -0.04 3.93 3.58 2oa1A1 SER 350 H 0.04 0.26 -0.61 -0.55 8.46 7.61 2oa1A1 SER 350 HA 0.07 0.13 0.63 -0.75 4.49 4.57 2oa1A1 SER 350 HB2 0.04 -0.05 -0.40 -0.04 3.95 3.50 2oa1A1 SER 350 HB3 0.02 0.12 0.03 -0.04 3.93 4.05 2oa1A1 CYS 351 H 0.09 0.39 0.15 -0.55 8.50 8.59 2oa1A1 CYS 351 HA 0.08 0.23 0.58 -0.75 4.58 4.72 2oa1A1 CYS 351 HB2 -1.04 0.06 0.11 -0.04 2.97 2.05 2oa1A1 CYS 351 HB3 -0.47 0.07 -0.05 -0.04 2.97 2.48 2oa1A1 PHE 352 H 0.21 0.65 0.30 -0.55 8.34 8.95 2oa1A1 PHE 352 HA 0.36 -0.03 0.36 -0.75 4.62 4.55 2oa1A1 PHE 352 HB2 0.35 0.04 0.00 -0.04 3.15 3.49 2oa1A1 PHE 352 HB3 0.41 0.28 0.06 -0.04 3.06 3.77 2oa1A1 PHE 352 HD2 0.10 0.01 -0.19 -0.04 7.28 7.16 2oa1A1 PHE 352 HE2 -0.56 -0.06 -0.21 -0.04 7.38 6.51 2oa1A1 PHE 352 HZ -0.81 -0.04 -0.18 -0.04 7.32 6.26 2oa1A1 VAL 353 H -0.37 0.22 0.10 -0.55 8.24 7.65 2oa1A1 VAL 353 HA 0.07 0.13 0.56 -0.75 4.13 4.14 2oa1A1 VAL 353 HB 0.24 0.05 -0.09 -0.04 2.12 2.28 2oa1A1 VAL 353 HG13 0.16 0.01 -0.14 -0.04 0.97 0.96 2oa1A1 VAL 353 HG23 0.07 0.03 0.01 -0.04 0.95 1.03 2oa1A1 GLU 354 H 0.05 0.17 0.05 -0.55 8.60 8.32 2oa1A1 GLU 354 HA -0.05 0.10 0.35 -0.75 4.29 3.93 2oa1A1 GLU 354 HB2 0.65 0.06 0.01 -0.04 2.09 2.77 2oa1A1 GLU 354 HB3 0.37 0.07 0.03 -0.04 1.99 2.42 2oa1A1 GLU 354 HG2 0.26 -0.05 0.02 -0.04 2.34 2.54 2oa1A1 GLU 354 HG3 0.50 -0.08 -0.13 -0.04 2.34 2.59 2oa1A1 PRO 355 HA 0.02 -0.02 0.49 -0.51 4.44 4.42 2oa1A1 PRO 355 HB2 -0.02 0.04 0.21 -0.04 2.28 2.46 2oa1A1 PRO 355 HB3 -0.08 -0.02 0.14 -0.04 2.02 2.02 2oa1A1 PRO 355 HG2 0.36 0.10 -0.04 -0.04 2.03 2.41 2oa1A1 PRO 355 HG3 -0.25 0.07 0.03 -0.04 2.03 1.84 2oa1A1 PRO 355 HD2 0.47 0.13 0.10 -0.04 3.68 4.33 2oa1A1 PRO 355 HD3 0.12 0.13 0.13 -0.04 3.65 3.99 2oa1A1 LEU 356 H 0.22 0.32 -0.71 -0.55 8.37 7.66 2oa1A1 LEU 356 HA -0.52 0.11 0.24 -0.75 4.35 3.43 2oa1A1 LEU 356 HB2 -0.18 -0.04 -0.06 -0.04 1.64 1.32 2oa1A1 LEU 356 HB3 -0.27 0.01 -0.06 -0.04 1.64 1.27 2oa1A1 LEU 356 HG -0.55 0.03 -0.15 -0.04 1.64 0.93 2oa1A1 LEU 356 HD13 -1.29 0.01 -0.06 -0.04 0.93 -0.45 2oa1A1 LEU 356 HD23 -0.66 0.01 -0.06 -0.04 0.89 0.13 2oa1A1 GLU 357 H 0.04 0.02 -0.32 -0.55 8.60 7.80 2oa1A1 GLU 357 HA 0.17 0.29 0.71 -0.75 4.29 4.70 2oa1A1 GLU 357 HB2 0.24 -0.05 -0.06 -0.04 2.09 2.18 2oa1A1 GLU 357 HB3 0.67 0.02 0.06 -0.04 1.99 2.71 2oa1A1 GLU 357 HG2 -0.24 -0.04 -0.43 -0.04 2.34 1.59 2oa1A1 GLU 357 HG3 -0.10 0.01 -0.15 -0.04 2.34 2.06 2oa1A1 SER 358 H 0.10 0.30 -0.32 -0.55 8.46 7.99 2oa1A1 SER 358 HA 0.05 -0.03 0.28 -0.75 4.49 4.04 2oa1A1 SER 358 HB2 0.19 0.13 -0.21 -0.04 3.95 4.02 2oa1A1 SER 358 HB3 0.14 0.03 -0.31 -0.04 3.93 3.74 2oa1A1 THR 359 H -0.03 0.05 -0.10 -0.55 8.28 7.64 2oa1A1 THR 359 HA -0.02 0.26 0.73 -0.75 4.39 4.61 2oa1A1 THR 359 HB -0.86 -0.00 -0.02 -0.04 4.32 3.39 2oa1A1 THR 359 HG23 0.39 0.06 -0.24 -0.04 1.22 1.39 2oa1A1 GLY 360 H -0.12 0.10 -0.03 -0.55 8.43 7.83 2oa1A1 GLY 360 HA2 -0.13 0.12 0.22 -0.51 4.01 3.71 2oa1A1 GLY 360 HA3 -0.05 0.06 0.28 -0.51 4.01 3.80 2oa1A1 ILE 361 H -0.01 0.16 -0.11 -0.55 8.25 7.74 2oa1A1 ILE 361 HA -0.03 0.06 0.48 -0.75 4.18 3.94 2oa1A1 ILE 361 HB 0.12 0.06 0.05 -0.04 1.89 2.08 2oa1A1 ILE 361 HG12 0.06 -0.02 -0.04 -0.04 1.49 1.45 2oa1A1 ILE 361 HG13 0.04 -0.07 -0.04 -0.04 1.21 1.10 2oa1A1 ILE 361 HG23 0.15 0.02 -0.13 -0.04 0.93 0.93 2oa1A1 ILE 361 HD13 0.21 0.03 -0.08 -0.04 0.88 1.00 2oa1A1 TYR 362 H 0.04 0.12 -0.18 -0.55 8.29 7.73 2oa1A1 TYR 362 HA -1.25 0.00 0.39 -0.75 4.56 2.95 2oa1A1 TYR 362 HB2 -0.03 -0.02 0.08 -0.04 3.06 3.05 2oa1A1 TYR 362 HB3 -0.23 0.12 0.09 -0.04 2.98 2.91 2oa1A1 TYR 362 HD2 -0.12 -0.02 -0.08 -0.04 7.15 6.88 2oa1A1 TYR 362 HE2 -0.14 0.04 -0.09 -0.04 6.85 6.62 2oa1A1 PHE 363 H -0.18 0.56 -0.31 -0.55 8.34 7.86 2oa1A1 PHE 363 HA -0.46 0.03 0.28 -0.75 4.62 3.71 2oa1A1 PHE 363 HB2 -0.04 0.12 0.05 -0.04 3.15 3.24 2oa1A1 PHE 363 HB3 -0.05 -0.04 -0.05 -0.04 3.06 2.88 2oa1A1 PHE 363 HD2 -0.00 -0.03 -0.15 -0.04 7.28 7.06 2oa1A1 PHE 363 HE2 0.25 0.01 -0.15 -0.04 7.38 7.45 2oa1A1 PHE 363 HZ 0.17 0.02 -0.08 -0.04 7.32 7.38 2oa1A1 VAL 364 H -0.14 0.33 -0.30 -0.55 8.24 7.58 2oa1A1 VAL 364 HA -0.08 -0.02 0.58 -0.75 4.13 3.86 2oa1A1 VAL 364 HB -0.14 0.15 0.19 -0.04 2.12 2.28 2oa1A1 VAL 364 HG13 -0.10 0.00 -0.14 -0.04 0.97 0.69 2oa1A1 VAL 364 HG23 -0.03 0.00 0.05 -0.04 0.95 0.93 2oa1A1 TYR 365 H -0.47 0.35 0.01 -0.55 8.29 7.63 2oa1A1 TYR 365 HA -0.35 0.08 0.45 -0.75 4.56 3.98 2oa1A1 TYR 365 HB2 -0.22 0.09 0.00 -0.04 3.06 2.90 2oa1A1 TYR 365 HB3 -0.42 -0.02 0.01 -0.04 2.98 2.51 2oa1A1 TYR 365 HD2 -0.42 0.01 -0.22 -0.04 7.15 6.47 2oa1A1 TYR 365 HE2 0.12 -0.06 -0.22 -0.04 6.85 6.64 2oa1A1 ALA 366 H -0.68 0.64 -0.14 -0.55 8.40 7.67 2oa1A1 ALA 366 HA -0.11 0.06 0.57 -0.75 4.34 4.11 2oa1A1 ALA 366 HB3 -0.42 -0.00 -0.01 -0.04 1.41 0.94 2oa1A1 ALA 367 H -0.18 0.44 -0.16 -0.55 8.40 7.96 2oa1A1 ALA 367 HA -0.04 0.03 0.53 -0.75 4.34 4.10 2oa1A1 ALA 367 HB3 0.01 0.03 0.14 -0.04 1.41 1.55 2oa1A1 LEU 368 H -0.18 0.44 -0.18 -0.55 8.37 7.90 2oa1A1 LEU 368 HA -0.11 0.04 0.44 -0.75 4.35 3.97 2oa1A1 LEU 368 HB2 -0.54 0.02 0.09 -0.04 1.64 1.17 2oa1A1 LEU 368 HB3 -0.63 0.03 -0.06 -0.04 1.64 0.93 2oa1A1 LEU 368 HG -0.12 0.07 -0.03 -0.04 1.64 1.52 2oa1A1 LEU 368 HD13 -0.03 -0.02 -0.32 -0.04 0.93 0.52 2oa1A1 LEU 368 HD23 -0.04 -0.01 -0.05 -0.04 0.89 0.76 2oa1A1 TYR 369 H -0.31 0.54 -0.17 -0.55 8.29 7.81 2oa1A1 TYR 369 HA -0.21 0.06 0.47 -0.75 4.56 4.12 2oa1A1 TYR 369 HB2 -0.46 0.06 0.16 -0.04 3.06 2.78 2oa1A1 TYR 369 HB3 -0.20 0.16 0.19 -0.04 2.98 3.09 2oa1A1 TYR 369 HD2 -0.11 0.06 -0.09 -0.04 7.15 6.97 2oa1A1 TYR 369 HE2 0.04 0.00 -0.05 -0.04 6.85 6.80 2oa1A1 GLN 370 H 0.09 0.49 -0.20 -0.55 8.47 8.31 2oa1A1 GLN 370 HA 0.12 0.02 0.47 -0.75 4.36 4.22 2oa1A1 GLN 370 HB2 0.10 0.09 0.11 -0.04 2.15 2.40 2oa1A1 GLN 370 HB3 0.15 -0.04 0.01 -0.04 2.02 2.10 2oa1A1 GLN 370 HG2 -0.16 0.20 0.03 -0.04 2.40 2.43 2oa1A1 GLN 370 HG3 -0.21 -0.06 -0.06 -0.04 2.39 2.02 2oa1A1 GLN 370 HE21 -0.47 -0.02 -0.06 -0.04 6.97 6.38 2oa1A1 GLN 370 HE22 -1.86 -0.00 -0.06 -0.04 7.69 5.74 2oa1A1 LEU 371 H 0.20 0.51 -0.22 -0.55 8.37 8.31 2oa1A1 LEU 371 HA -0.03 0.01 0.34 -0.75 4.35 3.92 2oa1A1 LEU 371 HB2 -0.18 -0.01 0.02 -0.04 1.64 1.43 2oa1A1 LEU 371 HB3 -0.02 0.07 0.11 -0.04 1.64 1.76 2oa1A1 LEU 371 HG 0.06 0.05 -0.35 -0.04 1.64 1.36 2oa1A1 LEU 371 HD13 -0.94 -0.01 -0.09 -0.04 0.93 -0.15 2oa1A1 LEU 371 HD23 -0.22 -0.02 -0.13 -0.04 0.89 0.47 2oa1A1 VAL 372 H 0.04 0.53 -0.17 -0.55 8.24 8.09 2oa1A1 VAL 372 HA 0.12 0.03 0.41 -0.75 4.13 3.94 2oa1A1 VAL 372 HB -0.02 0.09 0.12 -0.04 2.12 2.26 2oa1A1 VAL 372 HG13 -0.07 -0.00 -0.08 -0.04 0.97 0.77 2oa1A1 VAL 372 HG23 0.07 0.01 -0.04 -0.04 0.95 0.95 2oa1A1 LYS 373 H -0.08 0.40 -0.26 -0.55 8.42 7.93 2oa1A1 LYS 373 HA -0.12 0.04 0.48 -0.75 4.32 3.96 2oa1A1 LYS 373 HB2 -0.39 -0.02 0.09 -0.04 1.87 1.52 2oa1A1 LYS 373 HB3 -0.09 0.05 0.15 -0.04 1.79 1.86 2oa1A1 LYS 373 HG2 -0.43 0.02 -0.19 -0.04 1.46 0.82 2oa1A1 LYS 373 HG3 -0.17 -0.04 0.04 -0.04 1.46 1.25 2oa1A1 LYS 373 HD2 -0.02 -0.00 -0.03 -0.04 1.69 1.60 2oa1A1 LYS 373 HD3 -0.13 -0.04 -0.05 -0.04 1.68 1.42 2oa1A1 LYS 373 HE2 -0.03 -0.00 -0.01 -0.04 2.99 2.91 2oa1A1 LYS 373 HE3 -0.03 0.00 -0.04 -0.04 2.99 2.88 2oa1A1 HIS 374 H 0.29 0.48 -0.30 -0.55 8.41 8.33 2oa1A1 HIS 374 HA 0.14 0.05 0.57 -0.75 4.63 4.64 2oa1A1 HIS 374 HB2 0.39 0.07 0.08 -0.04 3.26 3.76 2oa1A1 HIS 374 HB3 0.30 -0.08 0.15 -0.04 3.20 3.53 2oa1A1 HIS 374 HD2 0.11 -0.03 0.03 -0.04 6.97 7.04 2oa1A1 HIS 374 HE1 0.08 -0.06 -0.06 -0.04 7.75 7.67 2oa1A1 PHE 375 H 0.25 0.28 -0.66 -0.55 8.34 7.66 2oa1A1 PHE 375 HA 0.05 0.06 0.36 -0.75 4.62 4.33 2oa1A1 PHE 375 HB2 -0.00 0.17 0.18 -0.04 3.15 3.45 2oa1A1 PHE 375 HB3 0.01 -0.08 0.05 -0.04 3.06 3.01 2oa1A1 PHE 375 HD2 -0.05 0.03 -0.16 -0.04 7.28 7.06 2oa1A1 PHE 375 HE2 -0.09 -0.08 -0.07 -0.04 7.38 7.09 2oa1A1 PHE 375 HZ -0.09 -0.08 -0.12 -0.04 7.32 6.99 2oa1A1 PRO 376 HA 0.04 -0.01 0.64 -0.51 4.44 4.61 2oa1A1 PRO 376 HB2 0.03 0.18 0.16 -0.04 2.28 2.60 2oa1A1 PRO 376 HB3 0.20 -0.02 0.11 -0.04 2.02 2.28 2oa1A1 PRO 376 HG2 -0.39 -0.01 -0.02 -0.04 2.03 1.57 2oa1A1 PRO 376 HG3 0.11 0.02 0.03 -0.04 2.03 2.14 2oa1A1 PRO 376 HD2 -1.74 0.05 0.17 -0.04 3.68 2.11 2oa1A1 PRO 376 HD3 -0.22 0.23 0.17 -0.04 3.65 3.79 2oa1A1 ASP 377 H 0.02 -0.02 0.16 -0.55 8.40 8.02 2oa1A1 ASP 377 HA 0.04 0.13 0.60 -0.75 4.63 4.65 2oa1A1 ASP 377 HB2 0.04 0.18 0.11 -0.04 2.71 2.99 2oa1A1 ASP 377 HB3 0.05 0.09 0.10 -0.04 2.70 2.90 2oa1A1 LYS 378 H 0.02 0.74 0.12 -0.55 8.42 8.74 2oa1A1 LYS 378 HA 0.01 0.12 0.28 -0.75 4.32 3.97 2oa1A1 LYS 378 HB2 0.02 0.09 -0.09 -0.04 1.87 1.84 2oa1A1 LYS 378 HB3 0.02 -0.01 0.07 -0.04 1.79 1.83 2oa1A1 LYS 378 HG2 0.01 -0.14 -0.19 -0.04 1.46 1.10 2oa1A1 LYS 378 HG3 0.02 0.27 -0.47 -0.04 1.46 1.24 2oa1A1 LYS 378 HD2 0.02 -0.03 0.01 -0.04 1.69 1.65 2oa1A1 LYS 378 HD3 0.01 -0.17 0.03 -0.04 1.68 1.51 2oa1A1 LYS 378 HE2 0.02 0.07 -0.09 -0.04 2.99 2.95 2oa1A1 LYS 378 HE3 0.02 0.23 -0.01 -0.04 2.99 3.19 2oa1A1 SER 379 H 0.01 -0.02 -0.32 -0.55 8.46 7.59 2oa1A1 SER 379 HA 0.01 0.19 0.61 -0.75 4.49 4.55 2oa1A1 SER 379 HB2 0.00 0.03 0.09 -0.04 3.95 4.03 2oa1A1 SER 379 HB3 0.01 0.03 0.07 -0.04 3.93 4.00 2oa1A1 LEU 380 H 0.02 0.40 -0.35 -0.55 8.37 7.89 2oa1A1 LEU 380 HA 0.03 0.03 0.30 -0.75 4.35 3.95 2oa1A1 LEU 380 HB2 0.00 0.09 -0.17 -0.04 1.64 1.52 2oa1A1 LEU 380 HB3 -0.00 -0.02 0.05 -0.04 1.64 1.63 2oa1A1 LEU 380 HG 0.04 0.10 -0.18 -0.04 1.64 1.56 2oa1A1 LEU 380 HD13 0.07 -0.01 -0.15 -0.04 0.93 0.80 2oa1A1 LEU 380 HD23 0.17 0.03 0.00 -0.04 0.89 1.06 2oa1A1 ASN 381 H -0.01 -0.01 -0.07 -0.55 8.53 7.88 2oa1A1 ASN 381 HA -0.04 0.16 0.37 -0.75 4.76 4.50 2oa1A1 ASN 381 HB2 -0.01 0.02 0.11 -0.04 2.88 2.97 2oa1A1 ASN 381 HB3 -0.02 -0.05 0.15 -0.04 2.79 2.83 2oa1A1 ASN 381 HD21 -0.00 0.02 0.02 -0.04 7.03 7.02 2oa1A1 ASN 381 HD22 0.00 0.03 0.03 -0.04 7.74 7.75 2oa1A1 PRO 382 HA -0.21 0.11 0.43 -0.51 4.44 4.26 2oa1A1 PRO 382 HB2 -0.07 -0.01 -0.00 -0.04 2.28 2.16 2oa1A1 PRO 382 HB3 -0.10 0.05 0.15 -0.04 2.02 2.09 2oa1A1 PRO 382 HG2 -0.05 0.01 0.12 -0.04 2.03 2.07 2oa1A1 PRO 382 HG3 -0.06 0.12 0.16 -0.04 2.03 2.20 2oa1A1 PRO 382 HD2 -0.05 0.00 0.24 -0.04 3.68 3.83 2oa1A1 PRO 382 HD3 -0.05 0.34 0.26 -0.04 3.65 4.15 2oa1A1 VAL 383 H -0.06 0.12 -0.26 -0.55 8.24 7.49 2oa1A1 VAL 383 HA -0.05 0.07 0.51 -0.75 4.13 3.91 2oa1A1 VAL 383 HB -0.01 0.00 0.02 -0.04 2.12 2.10 2oa1A1 VAL 383 HG13 0.02 0.01 -0.07 -0.04 0.97 0.89 2oa1A1 VAL 383 HG23 -0.02 0.01 0.02 -0.04 0.95 0.92 2oa1A1 LEU 384 H -0.08 0.25 -0.20 -0.55 8.37 7.80 2oa1A1 LEU 384 HA 0.14 0.05 0.42 -0.75 4.35 4.20 2oa1A1 LEU 384 HB2 -0.08 0.07 0.10 -0.04 1.64 1.69 2oa1A1 LEU 384 HB3 0.16 0.33 0.02 -0.04 1.64 2.11 2oa1A1 LEU 384 HG 0.02 -0.18 0.03 -0.04 1.64 1.46 2oa1A1 LEU 384 HD13 0.06 0.03 -0.09 -0.04 0.93 0.89 2oa1A1 LEU 384 HD23 0.09 0.00 -0.05 -0.04 0.89 0.89 2oa1A1 THR 385 H -0.49 0.32 -0.15 -0.55 8.28 7.41 2oa1A1 THR 385 HA -1.30 0.04 0.39 -0.75 4.39 2.76 2oa1A1 THR 385 HB -0.56 0.07 0.11 -0.04 4.32 3.91 2oa1A1 THR 385 HG23 -0.98 -0.04 -0.10 -0.04 1.22 0.06 2oa1A1 ALA 386 H -0.20 0.52 -0.13 -0.55 8.40 8.04 2oa1A1 ALA 386 HA -0.09 0.02 0.42 -0.75 4.34 3.94 2oa1A1 ALA 386 HB3 -0.06 0.01 0.11 -0.04 1.41 1.43 2oa1A1 ARG 387 H -0.03 0.56 -0.19 -0.55 8.46 8.26 2oa1A1 ARG 387 HA 0.01 -0.01 0.51 -0.75 4.34 4.10 2oa1A1 ARG 387 HB2 0.21 0.17 0.17 -0.04 1.90 2.41 2oa1A1 ARG 387 HB3 0.23 -0.05 0.01 -0.04 1.80 1.96 2oa1A1 ARG 387 HG2 0.06 0.10 0.09 -0.04 1.67 1.87 2oa1A1 ARG 387 HG3 0.12 -0.02 0.01 -0.04 1.67 1.74 2oa1A1 ARG 387 HD2 0.04 -0.03 -0.02 -0.04 3.22 3.16 2oa1A1 ARG 387 HD3 0.06 -0.02 0.00 -0.04 3.22 3.22 2oa1A1 PHE 388 H -0.06 0.62 -0.06 -0.55 8.34 8.28 2oa1A1 PHE 388 HA -0.53 0.00 0.44 -0.75 4.62 3.78 2oa1A1 PHE 388 HB2 -0.04 0.10 0.06 -0.04 3.15 3.23 2oa1A1 PHE 388 HB3 0.15 0.11 0.16 -0.04 3.06 3.45 2oa1A1 PHE 388 HD2 0.19 0.06 -0.31 -0.04 7.28 7.18 2oa1A1 PHE 388 HE2 0.05 0.07 -0.10 -0.04 7.38 7.36 2oa1A1 PHE 388 HZ -0.04 0.02 -0.07 -0.04 7.32 7.20 2oa1A1 ASN 389 H 0.11 0.71 -0.10 -0.55 8.53 8.70 2oa1A1 ASN 389 HA -0.04 -0.09 0.51 -0.75 4.76 4.38 2oa1A1 ASN 389 HB2 0.00 0.18 0.23 -0.04 2.88 3.26 2oa1A1 ASN 389 HB3 0.01 -0.02 0.12 -0.04 2.79 2.86 2oa1A1 ASN 389 HD21 0.03 0.46 0.13 -0.04 7.03 7.61 2oa1A1 ASN 389 HD22 -0.03 -0.02 0.02 -0.04 7.74 7.68 2oa1A1 ARG 390 H -0.04 0.53 -0.15 -0.55 8.46 8.25 2oa1A1 ARG 390 HA -0.02 -0.00 0.54 -0.75 4.34 4.10 2oa1A1 ARG 390 HB2 -0.00 0.03 0.15 -0.04 1.90 2.04 2oa1A1 ARG 390 HB3 0.00 0.14 0.20 -0.04 1.80 2.10 2oa1A1 ARG 390 HG2 0.03 0.00 0.00 -0.04 1.67 1.66 2oa1A1 ARG 390 HG3 0.02 -0.04 -0.16 -0.04 1.67 1.46 2oa1A1 ARG 390 HD2 0.02 -0.03 0.02 -0.04 3.22 3.18 2oa1A1 ARG 390 HD3 0.01 -0.05 0.09 -0.04 3.22 3.23 2oa1A1 GLU 391 H -0.11 0.55 -0.14 -0.55 8.60 8.35 2oa1A1 GLU 391 HA 0.11 0.01 0.36 -0.75 4.29 4.01 2oa1A1 GLU 391 HB2 -0.19 0.12 0.15 -0.04 2.09 2.13 2oa1A1 GLU 391 HB3 0.18 -0.07 0.03 -0.04 1.99 2.09 2oa1A1 GLU 391 HG2 -0.01 0.34 0.10 -0.04 2.34 2.73 2oa1A1 GLU 391 HG3 0.12 -0.02 -0.00 -0.04 2.34 2.39 2oa1A1 ILE 392 H -0.28 0.52 -0.13 -0.55 8.25 7.81 2oa1A1 ILE 392 HA -0.14 -0.01 0.44 -0.75 4.18 3.71 2oa1A1 ILE 392 HB -0.24 0.10 0.15 -0.04 1.89 1.86 2oa1A1 ILE 392 HG12 -1.15 0.36 0.08 -0.04 1.49 0.74 2oa1A1 ILE 392 HG13 -0.72 -0.03 0.00 -0.04 1.21 0.42 2oa1A1 ILE 392 HG23 -0.16 -0.02 -0.09 -0.04 0.93 0.62 2oa1A1 ILE 392 HD13 -0.41 -0.02 -0.03 -0.04 0.88 0.37 2oa1A1 GLU 393 H -0.07 0.64 -0.07 -0.55 8.60 8.55 2oa1A1 GLU 393 HA 0.01 -0.00 0.43 -0.75 4.29 3.97 2oa1A1 GLU 393 HB2 -0.00 -0.01 0.12 -0.04 2.09 2.15 2oa1A1 GLU 393 HB3 -0.03 0.20 0.18 -0.04 1.99 2.30 2oa1A1 GLU 393 HG2 -0.00 0.11 0.14 -0.04 2.34 2.54 2oa1A1 GLU 393 HG3 0.01 -0.10 -0.09 -0.04 2.34 2.12 2oa1A1 THR 394 H -0.00 0.58 -0.18 -0.55 8.28 8.12 2oa1A1 THR 394 HA 0.02 -0.03 0.46 -0.75 4.39 4.08 2oa1A1 THR 394 HB 0.00 0.14 0.13 -0.04 4.32 4.55 2oa1A1 THR 394 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 2oa1A1 MET 395 H -0.02 0.63 -0.05 -0.55 8.47 8.48 2oa1A1 MET 395 HA -0.12 0.01 0.40 -0.75 4.52 4.06 2oa1A1 MET 395 HB2 0.01 0.07 0.11 -0.04 2.15 2.31 2oa1A1 MET 395 HB3 -0.07 0.08 0.20 -0.04 2.03 2.20 2oa1A1 MET 395 HG2 -0.13 -0.04 -0.29 -0.04 2.63 2.13 2oa1A1 MET 395 HG3 0.01 -0.03 -0.03 -0.04 2.56 2.47 2oa1A1 MET 395 HE3 -0.46 0.02 -0.00 -0.04 2.10 1.61 2oa1A1 PHE 396 H 0.02 0.61 -0.25 -0.55 8.34 8.17 2oa1A1 PHE 396 HA -0.21 -0.01 0.36 -0.75 4.62 4.01 2oa1A1 PHE 396 HB2 -0.36 -0.00 0.02 -0.04 3.15 2.77 2oa1A1 PHE 396 HB3 -0.13 0.13 0.09 -0.04 3.06 3.11 2oa1A1 PHE 396 HD2 -0.16 0.02 -0.16 -0.04 7.28 6.94 2oa1A1 PHE 396 HE2 0.12 -0.08 -0.26 -0.04 7.38 7.12 2oa1A1 PHE 396 HZ 0.14 0.04 -0.04 -0.04 7.32 7.43 2oa1A1 ASP 397 H 0.10 0.75 0.06 -0.55 8.40 8.76 2oa1A1 ASP 397 HA -0.12 -0.03 0.42 -0.75 4.63 4.14 2oa1A1 ASP 397 HB2 0.03 0.10 0.16 -0.04 2.71 2.95 2oa1A1 ASP 397 HB3 -0.01 -0.10 0.02 -0.04 2.70 2.56 2oa1A1 ASP 398 H 0.05 0.62 -0.11 -0.55 8.40 8.41 2oa1A1 ASP 398 HA 0.07 -0.03 0.51 -0.75 4.63 4.42 2oa1A1 ASP 398 HB2 0.23 0.23 0.09 -0.04 2.71 3.22 2oa1A1 ASP 398 HB3 0.44 -0.08 -0.04 -0.04 2.70 2.98 2oa1A1 THR 399 H 0.18 0.41 -0.32 -0.55 8.28 8.01 2oa1A1 THR 399 HA 0.14 0.02 0.53 -0.75 4.39 4.33 2oa1A1 THR 399 HB 0.27 0.15 0.14 -0.04 4.32 4.85 2oa1A1 THR 399 HG23 0.38 -0.04 -0.15 -0.04 1.22 1.36 2oa1A1 ARG 400 H -0.36 0.73 0.07 -0.55 8.46 8.35 2oa1A1 ARG 400 HA -0.15 -0.04 0.45 -0.75 4.34 3.86 2oa1A1 ARG 400 HB2 -0.58 -0.02 0.06 -0.04 1.90 1.31 2oa1A1 ARG 400 HB3 -0.30 0.10 0.17 -0.04 1.80 1.73 2oa1A1 ARG 400 HG2 -0.10 0.01 -0.31 -0.04 1.67 1.23 2oa1A1 ARG 400 HG3 0.03 -0.03 -0.01 -0.04 1.67 1.62 2oa1A1 ARG 400 HD2 0.07 -0.00 -0.01 -0.04 3.22 3.24 2oa1A1 ARG 400 HD3 0.06 -0.01 -0.01 -0.04 3.22 3.22 2oa1A1 ASP 401 H -0.10 0.61 -0.22 -0.55 8.40 8.14 2oa1A1 ASP 401 HA -0.09 0.01 0.45 -0.75 4.63 4.25 2oa1A1 ASP 401 HB2 -0.01 0.16 0.13 -0.04 2.71 2.95 2oa1A1 ASP 401 HB3 -0.02 -0.05 -0.04 -0.04 2.70 2.55 2oa1A1 PHE 402 H -0.05 0.50 -0.10 -0.55 8.34 8.14 2oa1A1 PHE 402 HA -0.20 0.02 0.41 -0.75 4.62 4.09 2oa1A1 PHE 402 HB2 -0.91 0.09 0.13 -0.04 3.15 2.42 2oa1A1 PHE 402 HB3 -0.92 0.04 0.12 -0.04 3.06 2.26 2oa1A1 PHE 402 HD2 -1.11 -0.01 -0.05 -0.04 7.28 6.07 2oa1A1 PHE 402 HE2 -0.46 0.00 -0.10 -0.04 7.38 6.78 2oa1A1 PHE 402 HZ -0.62 0.12 -0.14 -0.04 7.32 6.64 2oa1A1 ILE 403 H -0.15 0.57 -0.24 -0.55 8.25 7.88 2oa1A1 ILE 403 HA -0.66 0.02 0.39 -0.75 4.18 3.18 2oa1A1 ILE 403 HB -0.06 0.13 0.11 -0.04 1.89 2.03 2oa1A1 ILE 403 HG12 -0.43 -0.05 -0.10 -0.04 1.49 0.87 2oa1A1 ILE 403 HG13 -0.23 0.07 -0.05 -0.04 1.21 0.96 2oa1A1 ILE 403 HG23 0.09 -0.02 -0.12 -0.04 0.93 0.84 2oa1A1 ILE 403 HD13 0.00 -0.05 -0.10 -0.04 0.88 0.69 2oa1A1 GLN 404 H 0.01 0.54 -0.07 -0.55 8.47 8.40 2oa1A1 GLN 404 HA 0.28 0.00 0.47 -0.75 4.36 4.37 2oa1A1 GLN 404 HB2 0.11 0.03 0.16 -0.04 2.15 2.41 2oa1A1 GLN 404 HB3 0.03 0.02 0.19 -0.04 2.02 2.22 2oa1A1 GLN 404 HG2 0.05 -0.05 -0.22 -0.04 2.40 2.14 2oa1A1 GLN 404 HG3 0.16 0.06 0.14 -0.04 2.39 2.70 2oa1A1 GLN 404 HE21 0.10 0.24 -0.27 -0.04 6.97 7.01 2oa1A1 GLN 404 HE22 0.12 0.04 -0.13 -0.04 7.69 7.69 2oa1A1 ALA 405 H 0.02 0.43 -0.32 -0.55 8.40 7.98 2oa1A1 ALA 405 HA 0.16 0.00 0.38 -0.75 4.34 4.12 2oa1A1 ALA 405 HB3 0.06 0.04 0.06 -0.04 1.41 1.53 2oa1A1 HIS 406 H 0.09 0.33 -0.27 -0.55 8.41 8.01 2oa1A1 HIS 406 HA -0.37 0.06 0.41 -0.75 4.63 3.98 2oa1A1 HIS 406 HB2 -0.69 0.08 0.07 -0.04 3.26 2.69 2oa1A1 HIS 406 HB3 -0.91 -0.04 -0.02 -0.04 3.20 2.19 2oa1A1 HIS 406 HD2 -1.02 -0.01 -0.06 -0.04 6.97 5.83 2oa1A1 HIS 406 HE1 -2.38 -0.09 -0.23 -0.04 7.75 5.01 2oa1A1 PHE 407 H 0.18 0.31 -0.18 -0.55 8.34 8.10 2oa1A1 PHE 407 HA 0.66 0.09 0.64 -0.75 4.62 5.25 2oa1A1 PHE 407 HB2 0.11 0.12 0.16 -0.04 3.15 3.50 2oa1A1 PHE 407 HB3 -0.01 -0.02 0.03 -0.04 3.06 3.02 2oa1A1 PHE 407 HD2 0.11 0.11 0.00 -0.04 7.28 7.46 2oa1A1 PHE 407 HE2 0.26 -0.05 -0.12 -0.04 7.38 7.43 2oa1A1 PHE 407 HZ 0.44 -0.09 -0.11 -0.04 7.32 7.52 2oa1A1 TYR 408 H 0.28 0.51 0.08 -0.55 8.29 8.61 2oa1A1 TYR 408 HA -0.09 0.08 0.14 -0.75 4.56 3.95 2oa1A1 TYR 408 HB2 -0.11 0.01 -0.01 -0.04 3.06 2.92 2oa1A1 TYR 408 HB3 -0.39 -0.09 0.03 -0.04 2.98 2.49 2oa1A1 TYR 408 HD2 -1.33 0.07 -0.14 -0.04 7.15 5.71 2oa1A1 TYR 408 HE2 -0.26 0.17 -0.03 -0.04 6.85 6.69 2oa1A1 PHE 409 H 0.17 0.36 -0.24 -0.55 8.34 8.08 2oa1A1 PHE 409 HA -0.01 0.22 0.75 -0.75 4.62 4.83 2oa1A1 PHE 409 HB2 -0.08 0.08 0.03 -0.04 3.15 3.13 2oa1A1 PHE 409 HB3 -0.07 -0.03 0.07 -0.04 3.06 2.99 2oa1A1 PHE 409 HD2 0.00 0.10 -0.01 -0.04 7.28 7.33 2oa1A1 PHE 409 HE2 0.03 -0.05 -0.06 -0.04 7.38 7.26 2oa1A1 PHE 409 HZ 0.02 -0.08 -0.06 -0.04 7.32 7.16 2oa1A1 SER 410 H 0.22 0.15 -0.44 -0.55 8.46 7.83 2oa1A1 SER 410 HA 0.10 0.08 0.67 -0.75 4.49 4.58 2oa1A1 SER 410 HB2 0.38 0.01 0.24 -0.04 3.95 4.54 2oa1A1 SER 410 HB3 0.36 0.14 0.18 -0.04 3.93 4.57 2oa1A1 PRO 411 HA -0.01 0.13 0.55 -0.51 4.44 4.61 2oa1A1 PRO 411 HB2 -0.03 -0.09 0.07 -0.04 2.28 2.19 2oa1A1 PRO 411 HB3 -0.00 0.06 0.15 -0.04 2.02 2.18 2oa1A1 PRO 411 HG2 -0.05 -0.07 0.18 -0.04 2.03 2.05 2oa1A1 PRO 411 HG3 -0.01 0.07 0.19 -0.04 2.03 2.24 2oa1A1 PRO 411 HD2 -0.00 0.18 0.38 -0.04 3.68 4.20 2oa1A1 PRO 411 HD3 0.01 0.39 0.34 -0.04 3.65 4.35 2oa1A1 ARG 412 H -0.17 0.16 -0.27 -0.55 8.46 7.62 2oa1A1 ARG 412 HA -0.13 -0.05 0.23 -0.75 4.34 3.63 2oa1A1 ARG 412 HB2 -0.72 0.09 0.00 -0.04 1.90 1.23 2oa1A1 ARG 412 HB3 -0.47 -0.25 -0.07 -0.04 1.80 0.97 2oa1A1 ARG 412 HG2 -0.32 -0.12 -0.49 -0.04 1.67 0.71 2oa1A1 ARG 412 HG3 -0.41 0.19 -0.25 -0.04 1.67 1.16 2oa1A1 ARG 412 HD2 -0.59 0.18 -0.15 -0.04 3.22 2.62 2oa1A1 ARG 412 HD3 -1.81 -0.01 -0.04 -0.04 3.22 1.32 2oa1A1 THR 413 H -0.03 0.06 0.14 -0.55 8.28 7.90 2oa1A1 THR 413 HA 0.08 0.22 0.65 -0.75 4.39 4.58 2oa1A1 THR 413 HB 0.03 -0.05 0.16 -0.04 4.32 4.41 2oa1A1 THR 413 HG23 0.00 0.09 -0.16 -0.04 1.22 1.11 2oa1A1 ASP 414 H 0.06 0.10 0.02 -0.55 8.40 8.03 2oa1A1 ASP 414 HA 0.05 0.18 0.25 -0.75 4.63 4.35 2oa1A1 ASP 414 HB2 0.04 0.01 0.11 -0.04 2.71 2.83 2oa1A1 ASP 414 HB3 0.00 -0.00 0.09 -0.04 2.70 2.75 2oa1A1 THR 415 H 0.27 0.07 -0.07 -0.55 8.28 8.00 2oa1A1 THR 415 HA 0.13 0.30 0.97 -0.75 4.39 5.04 2oa1A1 THR 415 HB 0.17 -0.01 0.16 -0.04 4.32 4.59 2oa1A1 THR 415 HG23 0.20 -0.02 -0.06 -0.04 1.22 1.30 2oa1A1 PRO 416 HA 0.10 0.12 0.49 -0.51 4.44 4.64 2oa1A1 PRO 416 HB2 0.45 0.03 0.06 -0.04 2.28 2.78 2oa1A1 PRO 416 HB3 0.27 0.06 0.11 -0.04 2.02 2.42 2oa1A1 PRO 416 HG2 0.16 0.06 0.12 -0.04 2.03 2.33 2oa1A1 PRO 416 HG3 0.12 0.07 0.10 -0.04 2.03 2.28 2oa1A1 PRO 416 HD2 0.14 0.08 0.24 -0.04 3.68 4.10 2oa1A1 PRO 416 HD3 0.11 0.19 0.20 -0.04 3.65 4.11 2oa1A1 PHE 417 H 0.03 0.13 -0.23 -0.55 8.34 7.72 2oa1A1 PHE 417 HA -1.51 0.06 0.39 -0.75 4.62 2.81 2oa1A1 PHE 417 HB2 -0.58 -0.07 0.09 -0.04 3.15 2.55 2oa1A1 PHE 417 HB3 -0.45 0.27 0.23 -0.04 3.06 3.08 2oa1A1 PHE 417 HD2 -1.29 0.04 -0.14 -0.04 7.28 5.85 2oa1A1 PHE 417 HE2 -1.33 0.00 -0.15 -0.04 7.38 5.86 2oa1A1 PHE 417 HZ -0.93 -0.02 -0.13 -0.04 7.32 6.20 2oa1A1 TRP 418 H 0.10 0.09 -0.12 -0.55 7.97 7.49 2oa1A1 TRP 418 HA -0.28 0.09 0.37 -0.75 4.62 4.04 2oa1A1 TRP 418 HB2 0.01 -0.23 -0.06 -0.04 3.23 2.91 2oa1A1 TRP 418 HB3 -0.00 0.34 -0.11 -0.04 3.23 3.41 2oa1A1 TRP 418 HD1 0.11 -0.15 0.08 -0.04 7.22 7.22 2oa1A1 TRP 418 HE1 0.04 0.42 0.16 -0.04 10.20 10.79 2oa1A1 TRP 418 HE3 0.11 0.17 0.08 -0.04 7.59 7.90 2oa1A1 TRP 418 HZ2 -0.23 -0.02 0.12 -0.04 7.44 7.28 2oa1A1 TRP 418 HZ3 0.41 0.07 0.07 -0.04 7.13 7.64 2oa1A1 TRP 418 HH2 -0.90 -0.07 -0.02 -0.04 7.19 6.16 2oa1A1 ARG 419 H 0.04 0.28 -0.28 -0.55 8.46 7.95 2oa1A1 ARG 419 HA 0.01 0.19 0.51 -0.75 4.34 4.29 2oa1A1 ARG 419 HB2 0.02 0.01 0.04 -0.04 1.90 1.92 2oa1A1 ARG 419 HB3 0.01 -0.02 -0.00 -0.04 1.80 1.75 2oa1A1 ARG 419 HG2 0.05 0.00 0.03 -0.04 1.67 1.71 2oa1A1 ARG 419 HG3 0.08 0.08 -0.13 -0.04 1.67 1.66 2oa1A1 ARG 419 HD2 0.03 -0.05 -0.02 -0.04 3.22 3.14 2oa1A1 ARG 419 HD3 0.04 0.16 -0.00 -0.04 3.22 3.38 2oa1A1 ALA 420 H -0.20 0.44 -0.14 -0.55 8.40 7.95 2oa1A1 ALA 420 HA -0.03 0.03 0.42 -0.75 4.34 4.00 2oa1A1 ALA 420 HB3 -0.10 0.00 0.08 -0.04 1.41 1.35 2oa1A1 ASN 421 H -0.38 0.39 -0.33 -0.55 8.53 7.67 2oa1A1 ASN 421 HA -0.17 -0.05 0.42 -0.75 4.76 4.20 2oa1A1 ASN 421 HB2 -0.19 0.29 0.04 -0.04 2.88 2.98 2oa1A1 ASN 421 HB3 -0.01 0.00 -0.27 -0.04 2.79 2.47 2oa1A1 ASN 421 HD21 -2.48 -0.21 -0.10 -0.04 7.03 4.19 2oa1A1 ASN 421 HD22 -1.27 0.12 -0.06 -0.04 7.74 6.49 2oa1A1 LYS 422 H -0.13 0.33 -0.38 -0.55 8.42 7.69 2oa1A1 LYS 422 HA -0.55 0.11 0.47 -0.75 4.32 3.60 2oa1A1 LYS 422 HB2 -0.12 0.10 0.13 -0.04 1.87 1.93 2oa1A1 LYS 422 HB3 -0.25 -0.09 0.13 -0.04 1.79 1.54 2oa1A1 LYS 422 HG2 -0.28 0.14 0.10 -0.04 1.46 1.37 2oa1A1 LYS 422 HG3 -0.12 0.06 0.08 -0.04 1.46 1.43 2oa1A1 LYS 422 HD2 -0.03 -0.06 0.08 -0.04 1.69 1.63 2oa1A1 LYS 422 HD3 -0.08 -0.14 0.04 -0.04 1.68 1.45 2oa1A1 LYS 422 HE2 -0.02 -0.15 -0.12 -0.04 2.99 2.66 2oa1A1 LYS 422 HE3 -0.06 -0.05 -0.02 -0.04 2.99 2.81 2oa1A1 GLU 423 H -0.06 0.25 -0.53 -0.55 8.60 7.71 2oa1A1 GLU 423 HA -0.00 0.14 0.74 -0.75 4.29 4.41 2oa1A1 GLU 423 HB2 -0.01 0.08 0.09 -0.04 2.09 2.21 2oa1A1 GLU 423 HB3 0.01 -0.11 0.10 -0.04 1.99 1.94 2oa1A1 GLU 423 HG2 -0.03 0.20 -0.05 -0.04 2.34 2.42 2oa1A1 GLU 423 HG3 -0.00 -0.11 -0.03 -0.04 2.34 2.16 2oa1A1 LEU 424 H 0.04 0.22 -0.23 -0.55 8.37 7.85 2oa1A1 LEU 424 HA 0.01 -0.00 0.66 -0.75 4.35 4.27 2oa1A1 LEU 424 HB2 0.10 0.09 -0.00 -0.04 1.64 1.79 2oa1A1 LEU 424 HB3 0.00 0.13 0.11 -0.04 1.64 1.85 2oa1A1 LEU 424 HG -0.01 0.10 0.00 -0.04 1.64 1.69 2oa1A1 LEU 424 HD13 -0.00 -0.03 -0.27 -0.04 0.93 0.59 2oa1A1 LEU 424 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 2oa1A1 ARG 425 H -0.02 0.10 0.15 -0.55 8.46 8.13 2oa1A1 ARG 425 HA 0.03 0.20 0.90 -0.75 4.34 4.72 2oa1A1 ARG 425 HB2 -0.01 -0.08 0.07 -0.04 1.90 1.84 2oa1A1 ARG 425 HB3 0.02 0.09 -0.04 -0.04 1.80 1.82 2oa1A1 ARG 425 HG2 0.03 0.01 0.00 -0.04 1.67 1.67 2oa1A1 ARG 425 HG3 0.03 0.09 -0.16 -0.04 1.67 1.59 2oa1A1 ARG 425 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.18 2oa1A1 ARG 425 HD3 0.00 -0.02 -0.00 -0.04 3.22 3.16 2oa1A1 LEU 426 H -0.18 0.16 0.08 -0.55 8.37 7.89 2oa1A1 LEU 426 HA -0.05 0.09 0.66 -0.75 4.35 4.29 2oa1A1 LEU 426 HB2 -0.15 -0.03 0.00 -0.04 1.64 1.42 2oa1A1 LEU 426 HB3 -0.13 -0.09 -0.02 -0.04 1.64 1.36 2oa1A1 LEU 426 HG -1.04 0.10 -0.02 -0.04 1.64 0.63 2oa1A1 LEU 426 HD13 -0.20 0.00 -0.11 -0.04 0.93 0.58 2oa1A1 LEU 426 HD23 -0.45 0.01 -0.09 -0.04 0.89 0.32 2oa1A1 ALA 427 H -0.06 0.12 0.12 -0.55 8.40 8.03 2oa1A1 ALA 427 HA 0.07 0.14 0.53 -0.75 4.34 4.33 2oa1A1 ALA 427 HB3 -0.16 0.00 0.10 -0.04 1.41 1.31 2oa1A1 ASP 428 H 0.01 0.19 0.14 -0.55 8.40 8.20 2oa1A1 ASP 428 HA -0.00 0.14 0.34 -0.75 4.63 4.36 2oa1A1 ASP 428 HB2 0.00 -0.05 0.14 -0.04 2.71 2.76 2oa1A1 ASP 428 HB3 0.00 0.05 -0.05 -0.04 2.70 2.66 2oa1A1 GLY 429 H -0.01 0.09 -0.15 -0.55 8.43 7.82 2oa1A1 GLY 429 HA2 -0.01 0.10 0.40 -0.51 4.01 3.99 2oa1A1 GLY 429 HA3 -0.01 0.07 0.24 -0.51 4.01 3.79 2oa1A1 MET 430 H -0.04 0.10 -0.34 -0.55 8.47 7.64 2oa1A1 MET 430 HA -0.04 0.06 0.50 -0.75 4.52 4.28 2oa1A1 MET 430 HB2 -0.05 -0.07 0.05 -0.04 2.15 2.04 2oa1A1 MET 430 HB3 -0.06 0.10 0.06 -0.04 2.03 2.08 2oa1A1 MET 430 HG2 -0.03 0.08 -0.04 -0.04 2.63 2.61 2oa1A1 MET 430 HG3 -0.01 0.03 -0.19 -0.04 2.56 2.34 2oa1A1 MET 430 HE3 0.10 0.02 -0.07 -0.04 2.10 2.12 2oa1A1 GLN 431 H -0.04 0.59 -0.11 -0.55 8.47 8.37 2oa1A1 GLN 431 HA -0.01 0.06 0.45 -0.75 4.36 4.10 2oa1A1 GLN 431 HB2 -0.03 0.05 -0.01 -0.04 2.15 2.12 2oa1A1 GLN 431 HB3 -0.01 0.08 0.06 -0.04 2.02 2.11 2oa1A1 GLN 431 HG2 0.01 0.01 -0.04 -0.04 2.40 2.34 2oa1A1 GLN 431 HG3 0.00 -0.03 -0.17 -0.04 2.39 2.16 2oa1A1 GLN 431 HE21 0.08 0.07 -0.02 -0.04 6.97 7.06 2oa1A1 GLN 431 HE22 0.03 -0.07 0.01 -0.04 7.69 7.62 2oa1A1 GLU 432 H -0.02 0.47 -0.29 -0.55 8.60 8.21 2oa1A1 GLU 432 HA -0.02 0.03 0.41 -0.75 4.29 3.96 2oa1A1 GLU 432 HB2 -0.02 0.03 0.08 -0.04 2.09 2.15 2oa1A1 GLU 432 HB3 -0.03 0.14 0.11 -0.04 1.99 2.17 2oa1A1 GLU 432 HG2 -0.03 -0.02 -0.17 -0.04 2.34 2.08 2oa1A1 GLU 432 HG3 -0.02 -0.02 0.03 -0.04 2.34 2.30 2oa1A1 LYS 433 H -0.07 0.37 -0.14 -0.55 8.42 8.02 2oa1A1 LYS 433 HA -0.12 0.00 0.50 -0.75 4.32 3.95 2oa1A1 LYS 433 HB2 -0.17 0.13 0.17 -0.04 1.87 1.96 2oa1A1 LYS 433 HB3 -0.37 -0.04 -0.03 -0.04 1.79 1.30 2oa1A1 LYS 433 HG2 -0.19 -0.07 0.02 -0.04 1.46 1.18 2oa1A1 LYS 433 HG3 -0.10 0.16 0.08 -0.04 1.46 1.56 2oa1A1 LYS 433 HD2 -0.19 0.01 -0.03 -0.04 1.69 1.44 2oa1A1 LYS 433 HD3 -0.37 -0.02 -0.06 -0.04 1.68 1.19 2oa1A1 LYS 433 HE2 -0.03 0.06 -0.21 -0.04 2.99 2.77 2oa1A1 LYS 433 HE3 0.05 -0.03 -0.09 -0.04 2.99 2.88 2oa1A1 ILE 434 H -0.08 0.60 -0.12 -0.55 8.25 8.10 2oa1A1 ILE 434 HA -0.15 -0.00 0.42 -0.75 4.18 3.69 2oa1A1 ILE 434 HB 0.02 0.09 0.14 -0.04 1.89 2.09 2oa1A1 ILE 434 HG12 -0.02 0.21 0.04 -0.04 1.49 1.68 2oa1A1 ILE 434 HG13 0.23 0.00 -0.04 -0.04 1.21 1.35 2oa1A1 ILE 434 HG23 0.03 0.00 -0.15 -0.04 0.93 0.78 2oa1A1 ILE 434 HD13 -0.35 -0.02 -0.06 -0.04 0.88 0.41 2oa1A1 ASP 435 H -0.02 0.62 -0.11 -0.55 8.40 8.34 2oa1A1 ASP 435 HA -0.01 0.02 0.44 -0.75 4.63 4.34 2oa1A1 ASP 435 HB2 -0.02 0.11 0.15 -0.04 2.71 2.91 2oa1A1 ASP 435 HB3 -0.01 -0.05 -0.02 -0.04 2.70 2.57 2oa1A1 MET 436 H -0.04 0.53 -0.18 -0.55 8.47 8.23 2oa1A1 MET 436 HA -0.03 -0.01 0.47 -0.75 4.52 4.20 2oa1A1 MET 436 HB2 -0.05 0.14 0.17 -0.04 2.15 2.37 2oa1A1 MET 436 HB3 -0.02 -0.03 -0.07 -0.04 2.03 1.88 2oa1A1 MET 436 HG2 -0.02 -0.06 0.03 -0.04 2.63 2.54 2oa1A1 MET 436 HG3 -0.03 0.11 0.07 -0.04 2.56 2.67 2oa1A1 MET 436 HE3 -0.01 0.01 0.03 -0.04 2.10 2.08 2oa1A1 TYR 437 H 0.01 0.64 -0.08 -0.55 8.29 8.31 2oa1A1 TYR 437 HA -0.18 0.17 0.39 -0.75 4.56 4.18 2oa1A1 TYR 437 HB2 -0.28 -0.05 0.03 -0.04 3.06 2.72 2oa1A1 TYR 437 HB3 -0.26 0.13 0.14 -0.04 2.98 2.94 2oa1A1 TYR 437 HD2 -0.42 0.00 -0.19 -0.04 7.15 6.51 2oa1A1 TYR 437 HE2 -1.29 -0.03 -0.40 -0.04 6.85 5.09 2oa1A1 ARG 438 H -0.01 0.70 -0.10 -0.55 8.46 8.49 2oa1A1 ARG 438 HA -0.25 -0.02 0.46 -0.75 4.34 3.78 2oa1A1 ARG 438 HB2 -0.04 0.10 0.11 -0.04 1.90 2.03 2oa1A1 ARG 438 HB3 -0.06 -0.08 0.09 -0.04 1.80 1.71 2oa1A1 ARG 438 HG2 -0.03 0.02 -0.04 -0.04 1.67 1.58 2oa1A1 ARG 438 HG3 -0.00 0.23 0.02 -0.04 1.67 1.88 2oa1A1 ARG 438 HD2 0.01 -0.04 -0.03 -0.04 3.22 3.12 2oa1A1 ARG 438 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 2oa1A1 ALA 439 H -0.09 0.39 -0.41 -0.55 8.40 7.74 2oa1A1 ALA 439 HA -0.07 0.08 0.69 -0.75 4.34 4.27 2oa1A1 ALA 439 HB3 -0.04 -0.01 0.15 -0.04 1.41 1.47 2oa1A1 GLY 440 H -0.24 0.47 -0.47 -0.55 8.43 7.64 2oa1A1 GLY 440 HA2 -0.31 0.02 0.31 -0.51 4.01 3.52 2oa1A1 GLY 440 HA3 -0.14 0.02 0.45 -0.51 4.01 3.83 2oa1A1 MET 441 H -0.08 0.47 -0.16 -0.55 8.47 8.15 2oa1A1 MET 441 HA 0.11 -0.01 0.62 -0.75 4.52 4.50 2oa1A1 MET 441 HB2 -0.00 0.03 -0.11 -0.04 2.15 2.03 2oa1A1 MET 441 HB3 0.04 0.03 0.03 -0.04 2.03 2.09 2oa1A1 MET 441 HG2 0.02 -0.05 -0.01 -0.04 2.63 2.55 2oa1A1 MET 441 HG3 -0.02 0.09 -0.05 -0.04 2.56 2.54 2oa1A1 MET 441 HE3 0.01 -0.00 0.02 -0.04 2.10 2.09 2oa1A1 ALA 442 H 0.26 0.07 0.15 -0.55 8.40 8.34 2oa1A1 ALA 442 HA 0.36 0.09 0.62 -0.75 4.34 4.65 2oa1A1 ALA 442 HB3 0.13 -0.01 0.06 -0.04 1.41 1.55 2oa1A1 ILE 443 H 0.16 0.17 0.07 -0.55 8.25 8.09 2oa1A1 ILE 443 HA -0.04 0.19 0.81 -0.75 4.18 4.38 2oa1A1 ILE 443 HB -0.21 -0.06 0.05 -0.04 1.89 1.63 2oa1A1 ILE 443 HG12 -0.15 0.09 -0.10 -0.04 1.49 1.29 2oa1A1 ILE 443 HG13 -0.00 0.03 -0.22 -0.04 1.21 0.98 2oa1A1 ILE 443 HG23 -0.63 0.01 -0.16 -0.04 0.93 0.12 2oa1A1 ILE 443 HD13 -0.43 -0.01 -0.12 -0.04 0.88 0.28 2oa1A1 ASN 444 H 0.02 0.21 0.01 -0.55 8.53 8.22 2oa1A1 ASN 444 HA 0.06 0.08 0.31 -0.75 4.76 4.46 2oa1A1 ASN 444 HB2 0.19 0.09 -0.02 -0.04 2.88 3.11 2oa1A1 ASN 444 HB3 0.11 0.03 0.18 -0.04 2.79 3.07 2oa1A1 ASN 444 HD21 0.14 -0.07 -0.03 -0.04 7.03 7.03 2oa1A1 ASN 444 HD22 0.28 0.42 0.04 -0.04 7.74 8.43 2oa1A1 ALA 445 H 0.08 0.07 -0.24 -0.55 8.40 7.77 2oa1A1 ALA 445 HA 0.06 -0.10 0.55 -0.75 4.34 4.10 2oa1A1 ALA 445 HB3 0.15 0.01 0.00 -0.04 1.41 1.54 2oa1A1 PRO 446 HA 0.04 0.11 0.42 -0.51 4.44 4.49 2oa1A1 PRO 446 HB2 -0.07 0.24 0.09 -0.04 2.28 2.49 2oa1A1 PRO 446 HB3 -0.25 0.02 0.14 -0.04 2.02 1.89 2oa1A1 PRO 446 HG2 -0.09 0.03 -0.06 -0.04 2.03 1.87 2oa1A1 PRO 446 HG3 -0.22 -0.05 0.10 -0.04 2.03 1.82 2oa1A1 PRO 446 HD2 -0.10 0.04 0.21 -0.04 3.68 3.79 2oa1A1 PRO 446 HD3 -0.08 -0.03 0.30 -0.04 3.65 3.80 2oa1A1 ALA 447 H 0.07 0.13 0.15 -0.55 8.40 8.21 2oa1A1 ALA 447 HA 0.04 0.12 0.40 -0.75 4.34 4.15 2oa1A1 ALA 447 HB3 0.04 0.00 0.09 -0.04 1.41 1.50 2oa1A1 SER 448 H 0.08 0.12 -0.14 -0.55 8.46 7.97 2oa1A1 SER 448 HA 0.08 0.18 0.65 -0.75 4.49 4.65 2oa1A1 SER 448 HB2 0.03 0.12 -0.06 -0.04 3.95 4.01 2oa1A1 SER 448 HB3 0.05 -0.00 0.01 -0.04 3.93 3.95 2oa1A1 ASP 449 H 0.17 0.17 0.07 -0.55 8.40 8.26 2oa1A1 ASP 449 HA -0.05 0.24 0.82 -0.75 4.63 4.88 2oa1A1 ASP 449 HB2 -0.09 0.12 0.08 -0.04 2.71 2.78 2oa1A1 ASP 449 HB3 -0.02 0.06 0.06 -0.04 2.70 2.75 2oa1A1 ASP 450 H 0.03 0.06 -0.32 -0.55 8.40 7.62 2oa1A1 ASP 450 HA 0.01 0.13 0.58 -0.75 4.63 4.60 2oa1A1 ASP 450 HB2 0.03 0.07 0.08 -0.04 2.71 2.85 2oa1A1 ASP 450 HB3 0.04 -0.02 0.14 -0.04 2.70 2.82 2oa1A1 ALA 451 H 0.02 0.30 0.21 -0.55 8.40 8.39 2oa1A1 ALA 451 HA -0.03 0.07 0.30 -0.75 4.34 3.92 2oa1A1 ALA 451 HB3 0.15 0.03 0.11 -0.04 1.41 1.65 2oa1A1 GLN 452 H 0.07 0.10 -0.19 -0.55 8.47 7.90 2oa1A1 GLN 452 HA 0.13 0.11 0.41 -0.75 4.36 4.25 2oa1A1 GLN 452 HB2 0.06 -0.05 0.03 -0.04 2.15 2.15 2oa1A1 GLN 452 HB3 0.06 0.08 -0.15 -0.04 2.02 1.97 2oa1A1 GLN 452 HG2 0.07 0.05 -0.01 -0.04 2.40 2.46 2oa1A1 GLN 452 HG3 0.07 -0.02 -0.03 -0.04 2.39 2.37 2oa1A1 GLN 452 HE21 0.03 0.03 -0.03 -0.04 6.97 6.97 2oa1A1 GLN 452 HE22 0.04 0.01 -0.03 -0.04 7.69 7.68 2oa1A1 LEU 453 H 0.06 0.09 -0.29 -0.55 8.37 7.69 2oa1A1 LEU 453 HA 0.06 0.10 0.39 -0.75 4.35 4.15 2oa1A1 LEU 453 HB2 0.06 0.11 0.12 -0.04 1.64 1.89 2oa1A1 LEU 453 HB3 0.06 0.03 -0.03 -0.04 1.64 1.66 2oa1A1 LEU 453 HG 0.04 -0.09 0.02 -0.04 1.64 1.58 2oa1A1 LEU 453 HD13 0.04 -0.01 -0.01 -0.04 0.93 0.91 2oa1A1 LEU 453 HD23 0.04 0.02 -0.04 -0.04 0.89 0.87 2oa1A1 TYR 454 H 0.12 0.33 -0.15 -0.55 8.29 8.05 2oa1A1 TYR 454 HA -0.08 0.04 0.26 -0.75 4.56 4.02 2oa1A1 TYR 454 HB2 -0.16 0.02 0.02 -0.04 3.06 2.90 2oa1A1 TYR 454 HB3 -0.37 0.02 0.12 -0.04 2.98 2.71 2oa1A1 TYR 454 HD2 -0.84 -0.05 -0.09 -0.04 7.15 6.13 2oa1A1 TYR 454 HE2 -0.27 0.07 -0.02 -0.04 6.85 6.59 2oa1A1 TYR 455 H 0.07 0.73 0.02 -0.55 8.29 8.56 2oa1A1 TYR 455 HA -0.04 0.04 0.39 -0.75 4.56 4.19 2oa1A1 TYR 455 HB2 0.05 0.09 0.02 -0.04 3.06 3.18 2oa1A1 TYR 455 HB3 0.03 -0.06 0.02 -0.04 2.98 2.92 2oa1A1 TYR 455 HD2 0.03 0.00 -0.03 -0.04 7.15 7.11 2oa1A1 TYR 455 HE2 0.08 -0.02 0.04 -0.04 6.85 6.91 2oa1A1 GLY 456 H 0.11 0.33 -0.62 -0.55 8.43 7.71 2oa1A1 GLY 456 HA2 0.12 0.04 0.67 -0.51 4.01 4.33 2oa1A1 GLY 456 HA3 0.10 0.10 0.30 -0.51 4.01 4.00 2oa1A1 ASN 457 H 0.05 0.37 -0.26 -0.55 8.53 8.14 2oa1A1 ASN 457 HA 0.10 0.14 0.88 -0.75 4.76 5.12 2oa1A1 ASN 457 HB2 0.06 0.07 -0.07 -0.04 2.88 2.90 2oa1A1 ASN 457 HB3 0.04 0.04 0.15 -0.04 2.79 2.98 2oa1A1 ASN 457 HD21 0.06 0.02 -0.03 -0.04 7.03 7.05 2oa1A1 ASN 457 HD22 0.05 0.04 -0.02 -0.04 7.74 7.77 2oa1A1 PHE 458 H 0.19 0.28 0.04 -0.55 8.34 8.29 2oa1A1 PHE 458 HA -0.04 0.08 0.20 -0.75 4.62 4.10 2oa1A1 PHE 458 HB2 -0.09 0.07 0.06 -0.04 3.15 3.15 2oa1A1 PHE 458 HB3 -0.36 0.05 0.06 -0.04 3.06 2.77 2oa1A1 PHE 458 HD2 -0.84 0.01 -0.07 -0.04 7.28 6.34 2oa1A1 PHE 458 HE2 -0.05 0.01 -0.04 -0.04 7.38 7.26 2oa1A1 PHE 458 HZ -0.01 -0.04 -0.02 -0.04 7.32 7.20 2oa1A1 GLU 459 H 0.07 0.12 -0.13 -0.55 8.60 8.11 2oa1A1 GLU 459 HA -0.01 0.09 0.39 -0.75 4.29 4.01 2oa1A1 GLU 459 HB2 0.16 0.03 0.08 -0.04 2.09 2.31 2oa1A1 GLU 459 HB3 0.08 -0.01 -0.01 -0.04 1.99 2.01 2oa1A1 GLU 459 HG2 0.13 0.04 -0.03 -0.04 2.34 2.44 2oa1A1 GLU 459 HG3 0.10 0.01 -0.10 -0.04 2.34 2.30 2oa1A1 GLU 460 H 0.00 0.11 -0.28 -0.55 8.60 7.88 2oa1A1 GLU 460 HA 0.02 0.05 0.45 -0.75 4.29 4.07 2oa1A1 GLU 460 HB2 0.03 -0.05 0.04 -0.04 2.09 2.06 2oa1A1 GLU 460 HB3 -0.02 0.28 0.10 -0.04 1.99 2.30 2oa1A1 GLU 460 HG2 0.08 -0.05 -0.17 -0.04 2.34 2.15 2oa1A1 GLU 460 HG3 0.09 0.00 -0.16 -0.04 2.34 2.23 2oa1A1 GLU 461 H -0.22 0.44 -0.13 -0.55 8.60 8.14 2oa1A1 GLU 461 HA -0.51 0.08 0.40 -0.75 4.29 3.50 2oa1A1 GLU 461 HB2 -0.68 0.20 0.01 -0.04 2.09 1.58 2oa1A1 GLU 461 HB3 -0.35 0.00 0.03 -0.04 1.99 1.64 2oa1A1 GLU 461 HG2 -0.09 -0.02 -0.23 -0.04 2.34 1.96 2oa1A1 GLU 461 HG3 -1.09 0.03 -0.05 -0.04 2.34 1.19 2oa1A1 PHE 462 H -0.33 0.83 0.02 -0.55 8.34 8.31 2oa1A1 PHE 462 HA -0.26 -0.02 0.40 -0.75 4.62 3.99 2oa1A1 PHE 462 HB2 -1.01 0.02 0.08 -0.04 3.15 2.19 2oa1A1 PHE 462 HB3 -0.28 0.06 0.06 -0.04 3.06 2.85 2oa1A1 PHE 462 HD2 -0.13 -0.01 -0.10 -0.04 7.28 7.00 2oa1A1 PHE 462 HE2 -0.04 -0.04 -0.05 -0.04 7.38 7.21 2oa1A1 PHE 462 HZ -0.06 0.06 -0.07 -0.04 7.32 7.20 2oa1A1 ARG 463 H 0.01 0.35 -0.45 -0.55 8.46 7.82 2oa1A1 ARG 463 HA 0.00 0.04 0.42 -0.75 4.34 4.04 2oa1A1 ARG 463 HB2 0.04 0.11 0.02 -0.04 1.90 2.04 2oa1A1 ARG 463 HB3 0.05 -0.07 0.06 -0.04 1.80 1.81 2oa1A1 ARG 463 HG2 0.12 -0.06 0.01 -0.04 1.67 1.70 2oa1A1 ARG 463 HG3 0.12 0.18 0.08 -0.04 1.67 2.01 2oa1A1 ARG 463 HD2 0.06 -0.02 -0.06 -0.04 3.22 3.17 2oa1A1 ARG 463 HD3 0.07 -0.05 -0.02 -0.04 3.22 3.18 2oa1A1 ASN 464 H -0.02 0.36 -0.67 -0.55 8.53 7.66 2oa1A1 ASN 464 HA 0.06 0.12 0.67 -0.75 4.76 4.86 2oa1A1 ASN 464 HB2 0.08 -0.01 -0.25 -0.04 2.88 2.67 2oa1A1 ASN 464 HB3 0.18 0.08 0.06 -0.04 2.79 3.07 2oa1A1 ASN 464 HD21 0.08 0.29 -0.14 -0.04 7.03 7.22 2oa1A1 ASN 464 HD22 0.08 0.04 0.01 -0.04 7.74 7.83 2oa1A1 PHE 465 H 0.01 0.17 -0.17 -0.55 8.34 7.79 2oa1A1 PHE 465 HA -0.28 0.11 0.17 -0.75 4.62 3.86 2oa1A1 PHE 465 HB2 -0.43 0.13 0.09 -0.04 3.15 2.90 2oa1A1 PHE 465 HB3 -0.52 -0.06 0.05 -0.04 3.06 2.49 2oa1A1 PHE 465 HD2 -1.17 0.03 -0.16 -0.04 7.28 5.94 2oa1A1 PHE 465 HE2 -1.02 -0.06 -0.09 -0.04 7.38 6.17 2oa1A1 PHE 465 HZ -0.98 -0.04 -0.07 -0.04 7.32 6.19 2oa1A1 TRP 466 H 0.04 0.13 -0.06 -0.55 7.97 7.53 2oa1A1 TRP 466 HA -0.47 0.08 0.85 -0.75 4.62 4.32 2oa1A1 TRP 466 HB2 -0.15 -0.01 0.09 -0.04 3.23 3.12 2oa1A1 TRP 466 HB3 -1.11 0.01 -0.00 -0.04 3.23 2.09 2oa1A1 TRP 466 HD1 0.07 -0.01 -0.14 -0.04 7.22 7.09 2oa1A1 TRP 466 HE1 0.24 -0.02 -0.20 -0.04 10.20 10.18 2oa1A1 TRP 466 HE3 -0.75 -0.02 0.03 -0.04 7.59 6.82 2oa1A1 TRP 466 HZ2 0.31 -0.07 -0.08 -0.04 7.44 7.56 2oa1A1 TRP 466 HZ3 0.18 0.02 -0.04 -0.04 7.13 7.25 2oa1A1 TRP 466 HH2 0.23 0.05 -0.06 -0.04 7.19 7.37 2oa1A1 ASN 467 H -0.04 0.04 0.10 -0.55 8.53 8.09 2oa1A1 ASN 467 HA 0.14 0.42 0.88 -0.75 4.76 5.46 2oa1A1 ASN 467 HB2 -0.02 0.06 0.25 -0.04 2.88 3.13 2oa1A1 ASN 467 HB3 -0.01 0.28 -0.07 -0.04 2.79 2.96 2oa1A1 ASN 467 HD21 -0.24 0.01 0.06 -0.04 7.03 6.82 2oa1A1 ASN 467 HD22 -0.13 0.25 0.03 -0.04 7.74 7.84 2oa1A1 ASN 468 H 0.10 0.36 0.10 -0.55 8.53 8.54 2oa1A1 ASN 468 HA 0.29 0.13 0.43 -0.75 4.76 4.86 2oa1A1 ASN 468 HB2 0.14 0.05 -0.11 -0.04 2.88 2.92 2oa1A1 ASN 468 HB3 0.06 -0.05 0.12 -0.04 2.79 2.88 2oa1A1 ASN 468 HD21 0.12 0.02 -0.05 -0.04 7.03 7.07 2oa1A1 ASN 468 HD22 0.03 -0.04 -0.08 -0.04 7.74 7.61 2oa1A1 SER 469 H 0.06 0.11 -0.13 -0.55 8.46 7.96 2oa1A1 SER 469 HA 0.25 0.03 0.50 -0.75 4.49 4.52 2oa1A1 SER 469 HB2 0.12 0.12 0.10 -0.04 3.95 4.25 2oa1A1 SER 469 HB3 0.27 0.09 0.04 -0.04 3.93 4.29 2oa1A1 ASN 470 H 0.08 0.18 -0.16 -0.55 8.53 8.08 2oa1A1 ASN 470 HA 0.07 0.09 0.45 -0.75 4.76 4.61 2oa1A1 ASN 470 HB2 -0.33 0.08 0.11 -0.04 2.88 2.69 2oa1A1 ASN 470 HB3 -0.04 0.02 0.04 -0.04 2.79 2.77 2oa1A1 ASN 470 HD21 0.19 0.04 0.04 -0.04 7.03 7.26 2oa1A1 ASN 470 HD22 0.85 0.04 -0.02 -0.04 7.74 8.58 2oa1A1 TYR 471 H -0.02 0.44 -0.08 -0.55 8.29 8.08 2oa1A1 TYR 471 HA -0.02 0.05 0.45 -0.75 4.56 4.29 2oa1A1 TYR 471 HB2 -0.06 0.04 0.09 -0.04 3.06 3.09 2oa1A1 TYR 471 HB3 -0.28 0.02 -0.03 -0.04 2.98 2.64 2oa1A1 TYR 471 HD2 -0.05 0.08 -0.22 -0.04 7.15 6.92 2oa1A1 TYR 471 HE2 0.00 0.12 -0.21 -0.04 6.85 6.73 2oa1A1 TYR 472 H 0.20 0.54 -0.12 -0.55 8.29 8.36 2oa1A1 TYR 472 HA -0.23 0.05 0.45 -0.75 4.56 4.09 2oa1A1 TYR 472 HB2 -0.12 0.10 0.18 -0.04 3.06 3.18 2oa1A1 TYR 472 HB3 -1.26 -0.02 -0.02 -0.04 2.98 1.63 2oa1A1 TYR 472 HD2 -0.25 0.02 0.04 -0.04 7.15 6.92 2oa1A1 TYR 472 HE2 -0.00 0.05 -0.04 -0.04 6.85 6.81 2oa1A1 CYS 473 H 0.08 0.50 -0.12 -0.55 8.50 8.41 2oa1A1 CYS 473 HA 0.30 -0.04 0.42 -0.75 4.58 4.51 2oa1A1 CYS 473 HB2 -0.11 0.09 0.24 -0.04 2.97 3.15 2oa1A1 CYS 473 HB3 0.08 0.02 0.14 -0.04 2.97 3.16 2oa1A1 VAL 474 H -0.30 0.36 -0.29 -0.55 8.24 7.45 2oa1A1 VAL 474 HA -0.54 0.07 0.39 -0.75 4.13 3.29 2oa1A1 VAL 474 HB -0.54 0.06 0.12 -0.04 2.12 1.72 2oa1A1 VAL 474 HG13 -1.37 0.01 -0.17 -0.04 0.97 -0.60 2oa1A1 VAL 474 HG23 -0.76 -0.01 -0.04 -0.04 0.95 0.10 2oa1A1 LEU 475 H -0.45 0.64 0.12 -0.55 8.37 8.13 2oa1A1 LEU 475 HA -0.48 0.07 0.43 -0.75 4.35 3.61 2oa1A1 LEU 475 HB2 -0.89 -0.02 0.09 -0.04 1.64 0.78 2oa1A1 LEU 475 HB3 -0.86 0.05 -0.01 -0.04 1.64 0.77 2oa1A1 LEU 475 HG -0.43 0.03 0.11 -0.04 1.64 1.31 2oa1A1 LEU 475 HD13 -1.07 -0.03 -0.09 -0.04 0.93 -0.31 2oa1A1 LEU 475 HD23 -0.53 -0.01 -0.08 -0.04 0.89 0.24 2oa1A1 ALA 476 H -0.40 0.34 0.02 -0.55 8.40 7.83 2oa1A1 ALA 476 HA -0.10 0.25 0.36 -0.75 4.34 4.09 2oa1A1 ALA 476 HB3 -0.17 -0.01 0.10 -0.04 1.41 1.29 2oa1A1 GLY 477 H -0.51 0.27 -0.47 -0.55 8.43 7.18 2oa1A1 GLY 477 HA2 -0.53 -0.11 0.41 -0.51 4.01 3.27 2oa1A1 GLY 477 HA3 -1.78 0.10 0.34 -0.51 4.01 2.16 2oa1A1 LEU 478 H -0.74 0.54 -0.21 -0.55 8.37 7.42 2oa1A1 LEU 478 HA -0.26 -0.04 0.43 -0.75 4.35 3.73 2oa1A1 LEU 478 HB2 -0.26 0.03 0.07 -0.04 1.64 1.44 2oa1A1 LEU 478 HB3 -0.07 0.14 -0.05 -0.04 1.64 1.62 2oa1A1 LEU 478 HG -0.48 -0.05 0.02 -0.04 1.64 1.08 2oa1A1 LEU 478 HD13 -0.27 -0.05 -0.10 -0.04 0.93 0.47 2oa1A1 LEU 478 HD23 0.12 -0.04 -0.02 -0.04 0.89 0.91 2oa1A1 GLY 479 H -0.23 0.23 -0.51 -0.55 8.43 7.37 2oa1A1 GLY 479 HA2 -0.02 -0.01 0.22 -0.51 4.01 3.70 2oa1A1 GLY 479 HA3 -0.03 0.11 0.75 -0.51 4.01 4.33 2oa1A1 LEU 480 H -0.18 0.39 0.03 -0.55 8.37 8.07 2oa1A1 LEU 480 HA -0.06 0.10 0.73 -0.75 4.35 4.36 2oa1A1 LEU 480 HB2 -0.25 0.07 0.03 -0.04 1.64 1.46 2oa1A1 LEU 480 HB3 -0.45 -0.09 0.07 -0.04 1.64 1.13 2oa1A1 LEU 480 HG -0.11 0.03 -0.38 -0.04 1.64 1.14 2oa1A1 LEU 480 HD13 -0.09 0.01 -0.01 -0.04 0.93 0.80 2oa1A1 LEU 480 HD23 -1.15 -0.04 -0.10 -0.04 0.89 -0.44 2oa1A1 VAL 481 H -0.05 0.29 0.15 -0.55 8.24 8.09 2oa1A1 VAL 481 HA -0.18 0.08 0.73 -0.75 4.13 4.00 2oa1A1 VAL 481 HB -0.54 -0.02 0.04 -0.04 2.12 1.56 2oa1A1 VAL 481 HG13 0.23 -0.02 -0.29 -0.04 0.97 0.84 2oa1A1 VAL 481 HG23 0.11 0.06 -0.09 -0.04 0.95 1.00 2oa1A1 PRO 482 HA -0.42 0.00 0.47 -0.51 4.44 3.99 2oa1A1 PRO 482 HB2 -0.59 0.02 -0.12 -0.04 2.28 1.55 2oa1A1 PRO 482 HB3 -0.46 0.06 0.12 -0.04 2.02 1.71 2oa1A1 PRO 482 HG2 -0.78 -0.07 0.03 -0.04 2.03 1.17 2oa1A1 PRO 482 HG3 -1.17 0.15 0.03 -0.04 2.03 1.01 2oa1A1 PRO 482 HD2 -2.34 0.07 0.09 -0.04 3.68 1.46 2oa1A1 PRO 482 HD3 -0.95 0.08 0.13 -0.04 3.65 2.86 2oa1A1 ASP 483 H -0.14 0.56 0.36 -0.55 8.40 8.64 2oa1A1 ASP 483 HA 0.04 0.08 0.47 -0.75 4.63 4.45 2oa1A1 ASP 483 HB2 -0.03 0.05 0.14 -0.04 2.71 2.83 2oa1A1 ASP 483 HB3 0.02 -0.06 0.09 -0.04 2.70 2.70 2oa1A1 ALA 484 H -0.06 0.29 -0.12 -0.55 8.40 7.96 2oa1A1 ALA 484 HA -0.51 0.12 0.46 -0.75 4.34 3.65 2oa1A1 ALA 484 HB3 -0.15 0.01 -0.09 -0.04 1.41 1.14 2oa1A1 PRO 485 HA 0.08 0.00 0.38 -0.51 4.44 4.39 2oa1A1 PRO 485 HB2 -0.18 0.03 -0.09 -0.04 2.28 2.00 2oa1A1 PRO 485 HB3 -0.17 -0.04 0.09 -0.04 2.02 1.86 2oa1A1 PRO 485 HG2 -0.40 0.04 0.04 -0.04 2.03 1.67 2oa1A1 PRO 485 HG3 -0.62 0.07 0.05 -0.04 2.03 1.49 2oa1A1 PRO 485 HD2 -0.69 0.09 0.12 -0.04 3.68 3.15 2oa1A1 PRO 485 HD3 -1.96 0.18 0.12 -0.04 3.65 1.95 2oa1A1 SER 486 H -0.04 0.07 0.18 -0.55 8.46 8.13 2oa1A1 SER 486 HA -0.04 0.24 0.58 -0.75 4.49 4.52 2oa1A1 SER 486 HB2 0.04 0.24 0.25 -0.04 3.95 4.43 2oa1A1 SER 486 HB3 0.00 -0.12 0.18 -0.04 3.93 3.95 2oa1A1 PRO 487 HA -0.03 0.10 0.42 -0.51 4.44 4.42 2oa1A1 PRO 487 HB2 0.04 -0.03 0.01 -0.04 2.28 2.26 2oa1A1 PRO 487 HB3 0.02 0.02 0.09 -0.04 2.02 2.12 2oa1A1 PRO 487 HG2 -0.01 0.02 0.10 -0.04 2.03 2.10 2oa1A1 PRO 487 HG3 -0.03 0.12 0.09 -0.04 2.03 2.17 2oa1A1 PRO 487 HD2 -0.01 0.01 0.24 -0.04 3.68 3.89 2oa1A1 PRO 487 HD3 -0.04 0.36 0.29 -0.04 3.65 4.22 2oa1A1 ARG 488 H 0.03 0.13 -0.29 -0.55 8.46 7.77 2oa1A1 ARG 488 HA 0.12 0.08 0.38 -0.75 4.34 4.16 2oa1A1 ARG 488 HB2 0.02 -0.02 0.00 -0.04 1.90 1.86 2oa1A1 ARG 488 HB3 0.02 0.02 -0.17 -0.04 1.80 1.63 2oa1A1 ARG 488 HG2 0.02 0.01 0.01 -0.04 1.67 1.67 2oa1A1 ARG 488 HG3 0.02 0.00 0.02 -0.04 1.67 1.67 2oa1A1 ARG 488 HD2 0.01 0.01 0.00 -0.04 3.22 3.20 2oa1A1 ARG 488 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.17 2oa1A1 LEU 489 H -0.02 0.41 -0.32 -0.55 8.37 7.89 2oa1A1 LEU 489 HA -0.01 0.02 0.27 -0.75 4.35 3.88 2oa1A1 LEU 489 HB2 -0.07 0.16 0.00 -0.04 1.64 1.69 2oa1A1 LEU 489 HB3 -0.04 -0.02 -0.01 -0.04 1.64 1.53 2oa1A1 LEU 489 HG -0.10 -0.04 -0.00 -0.04 1.64 1.46 2oa1A1 LEU 489 HD13 -0.16 -0.02 -0.09 -0.04 0.93 0.62 2oa1A1 LEU 489 HD23 -0.37 -0.01 -0.09 -0.04 0.89 0.37 2oa1A1 ALA 490 H -0.07 0.29 -0.30 -0.55 8.40 7.77 2oa1A1 ALA 490 HA -0.10 0.06 0.49 -0.75 4.34 4.04 2oa1A1 ALA 490 HB3 -0.21 0.04 0.05 -0.04 1.41 1.25 2oa1A1 HIS 491 H -0.02 0.39 -0.38 -0.55 8.41 7.85 2oa1A1 HIS 491 HA 0.00 0.13 0.81 -0.75 4.63 4.82 2oa1A1 HIS 491 HB2 -0.01 0.15 0.11 -0.04 3.26 3.47 2oa1A1 HIS 491 HB3 -0.00 -0.08 0.17 -0.04 3.20 3.25 2oa1A1 HIS 491 HD2 -0.01 0.14 -0.01 -0.04 6.97 7.04 2oa1A1 HIS 491 HE1 -0.01 -0.02 -0.03 -0.04 7.75 7.65 2oa1A1 MET 492 H 0.03 0.41 -0.48 -0.55 8.47 7.89 2oa1A1 MET 492 HA 0.06 0.17 0.93 -0.75 4.52 4.92 2oa1A1 MET 492 HB2 0.09 0.03 0.18 -0.04 2.15 2.40 2oa1A1 MET 492 HB3 0.09 -0.18 0.15 -0.04 2.03 2.04 2oa1A1 MET 492 HG2 0.05 0.02 -0.11 -0.04 2.63 2.56 2oa1A1 MET 492 HG3 0.08 0.17 -0.31 -0.04 2.56 2.46 2oa1A1 MET 492 HE3 0.07 0.00 0.03 -0.04 2.10 2.16 2oa1A1 PRO 493 HA 0.04 0.13 0.39 -0.51 4.44 4.49 2oa1A1 PRO 493 HB2 0.02 0.02 -0.02 -0.04 2.28 2.25 2oa1A1 PRO 493 HB3 0.01 0.11 0.07 -0.04 2.02 2.17 2oa1A1 PRO 493 HG2 0.03 -0.06 0.06 -0.04 2.03 2.02 2oa1A1 PRO 493 HG3 0.02 0.10 0.02 -0.04 2.03 2.13 2oa1A1 PRO 493 HD2 0.04 0.21 -0.08 -0.04 3.68 3.81 2oa1A1 PRO 493 HD3 0.02 0.25 -0.29 -0.04 3.65 3.59 2oa1A1 GLN 494 H 0.04 0.18 -0.12 -0.55 8.47 8.02 2oa1A1 GLN 494 HA 0.04 0.10 0.49 -0.75 4.36 4.24 2oa1A1 GLN 494 HB2 0.03 -0.00 0.06 -0.04 2.15 2.21 2oa1A1 GLN 494 HB3 0.03 0.01 -0.01 -0.04 2.02 2.01 2oa1A1 GLN 494 HG2 0.02 0.02 0.04 -0.04 2.40 2.44 2oa1A1 GLN 494 HG3 0.03 -0.01 0.04 -0.04 2.39 2.41 2oa1A1 GLN 494 HE21 0.01 0.01 0.01 -0.04 6.97 6.97 2oa1A1 GLN 494 HE22 0.02 0.01 0.01 -0.04 7.69 7.69 2oa1A1 ALA 495 H 0.09 0.17 -0.27 -0.55 8.40 7.85 2oa1A1 ALA 495 HA 0.16 0.01 0.42 -0.75 4.34 4.18 2oa1A1 ALA 495 HB3 0.21 0.05 0.06 -0.04 1.41 1.69 2oa1A1 THR 496 H 0.16 0.51 -0.07 -0.55 8.28 8.33 2oa1A1 THR 496 HA 0.31 0.02 0.42 -0.75 4.39 4.39 2oa1A1 THR 496 HB 0.13 -0.00 0.06 -0.04 4.32 4.47 2oa1A1 THR 496 HG23 0.18 0.01 -0.00 -0.04 1.22 1.37 2oa1A1 GLU 497 H 0.09 0.33 -0.33 -0.55 8.60 8.14 2oa1A1 GLU 497 HA 0.04 0.11 0.67 -0.75 4.29 4.36 2oa1A1 GLU 497 HB2 0.05 0.10 0.23 -0.04 2.09 2.42 2oa1A1 GLU 497 HB3 0.03 -0.06 -0.01 -0.04 1.99 1.91 2oa1A1 GLU 497 HG2 0.04 0.09 0.05 -0.04 2.34 2.47 2oa1A1 GLU 497 HG3 0.03 -0.06 0.01 -0.04 2.34 2.27 2oa1A1 SER 498 H 0.08 0.55 0.02 -0.55 8.46 8.57 2oa1A1 SER 498 HA 0.01 0.07 0.49 -0.75 4.49 4.30 2oa1A1 SER 498 HB2 0.08 -0.07 0.12 -0.04 3.95 4.04 2oa1A1 SER 498 HB3 0.06 0.04 0.13 -0.04 3.93 4.12 2oa1A1 VAL 499 H -0.08 0.41 -0.35 -0.55 8.24 7.67 2oa1A1 VAL 499 HA -1.07 -0.02 0.48 -0.75 4.13 2.77 2oa1A1 VAL 499 HB -0.62 0.22 0.12 -0.04 2.12 1.80 2oa1A1 VAL 499 HG13 0.12 0.07 -0.11 -0.04 0.97 1.00 2oa1A1 VAL 499 HG23 -0.97 -0.04 0.04 -0.04 0.95 -0.07 2oa1A1 ASP 500 H -0.03 0.40 -0.42 -0.55 8.40 7.80 2oa1A1 ASP 500 HA 0.18 0.04 0.37 -0.75 4.63 4.46 2oa1A1 ASP 500 HB2 0.04 0.16 0.15 -0.04 2.71 3.01 2oa1A1 ASP 500 HB3 0.01 0.02 0.06 -0.04 2.70 2.76 2oa1A1 GLU 501 H -0.07 0.37 -0.30 -0.55 8.60 8.05 2oa1A1 GLU 501 HA -0.02 0.06 0.58 -0.75 4.29 4.15 2oa1A1 GLU 501 HB2 -0.06 0.18 0.13 -0.04 2.09 2.29 2oa1A1 GLU 501 HB3 -0.04 -0.03 0.02 -0.04 1.99 1.90 2oa1A1 GLU 501 HG2 -0.01 -0.01 0.04 -0.04 2.34 2.32 2oa1A1 GLU 501 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.28 2oa1A1 VAL 502 H -0.26 0.33 -0.16 -0.55 8.24 7.60 2oa1A1 VAL 502 HA -0.18 0.02 0.57 -0.75 4.13 3.80 2oa1A1 VAL 502 HB -0.61 0.20 0.20 -0.04 2.12 1.86 2oa1A1 VAL 502 HG13 -0.37 -0.01 -0.05 -0.04 0.97 0.49 2oa1A1 VAL 502 HG23 -0.35 -0.01 0.06 -0.04 0.95 0.62 2oa1A1 PHE 503 H -0.13 0.41 -0.07 -0.55 8.34 7.99 2oa1A1 PHE 503 HA -0.04 0.12 0.54 -0.75 4.62 4.49 2oa1A1 PHE 503 HB2 -0.03 0.07 0.14 -0.04 3.15 3.29 2oa1A1 PHE 503 HB3 0.01 0.02 0.02 -0.04 3.06 3.07 2oa1A1 PHE 503 HD2 -0.01 0.15 -0.05 -0.04 7.28 7.33 2oa1A1 PHE 503 HE2 0.11 -0.03 -0.22 -0.04 7.38 7.20 2oa1A1 PHE 503 HZ 0.29 -0.08 -0.14 -0.04 7.32 7.35 2oa1A1 GLY 504 H 0.08 0.57 -0.05 -0.55 8.43 8.49 2oa1A1 GLY 504 HA2 0.05 0.02 0.49 -0.51 4.01 4.06 2oa1A1 GLY 504 HA3 0.03 0.07 0.33 -0.51 4.01 3.93 2oa1A1 ALA 505 H -0.02 0.52 -0.26 -0.55 8.40 8.08 2oa1A1 ALA 505 HA -0.01 -0.02 0.40 -0.75 4.34 3.95 2oa1A1 ALA 505 HB3 -0.05 0.04 0.14 -0.04 1.41 1.50 2oa1A1 VAL 506 H -0.02 0.46 -0.14 -0.55 8.24 7.99 2oa1A1 VAL 506 HA -0.03 -0.05 0.52 -0.75 4.13 3.82 2oa1A1 VAL 506 HB 0.05 0.23 0.15 -0.04 2.12 2.51 2oa1A1 VAL 506 HG13 -0.00 -0.03 -0.44 -0.04 0.97 0.45 2oa1A1 VAL 506 HG23 -0.09 0.03 0.03 -0.04 0.95 0.87 2oa1A1 LYS 507 H 0.05 0.59 -0.05 -0.55 8.42 8.46 2oa1A1 LYS 507 HA 0.04 0.02 0.48 -0.75 4.32 4.12 2oa1A1 LYS 507 HB2 0.04 0.10 0.24 -0.04 1.87 2.21 2oa1A1 LYS 507 HB3 0.04 -0.06 0.03 -0.04 1.79 1.75 2oa1A1 LYS 507 HG2 0.08 0.15 0.09 -0.04 1.46 1.75 2oa1A1 LYS 507 HG3 0.06 -0.05 0.02 -0.04 1.46 1.44 2oa1A1 LYS 507 HD2 0.05 -0.04 0.03 -0.04 1.69 1.69 2oa1A1 LYS 507 HD3 0.06 -0.03 0.08 -0.04 1.68 1.74 2oa1A1 LYS 507 HE2 0.06 -0.02 -0.01 -0.04 2.99 2.97 2oa1A1 LYS 507 HE3 0.07 -0.04 -0.01 -0.04 2.99 2.96 2oa1A1 ASP 508 H 0.01 0.69 -0.07 -0.55 8.40 8.48 2oa1A1 ASP 508 HA 0.01 -0.01 0.50 -0.75 4.63 4.37 2oa1A1 ASP 508 HB2 -0.00 0.19 0.19 -0.04 2.71 3.05 2oa1A1 ASP 508 HB3 0.00 -0.07 0.00 -0.04 2.70 2.59 2oa1A1 ARG 509 H -0.00 0.52 -0.08 -0.55 8.46 8.35 2oa1A1 ARG 509 HA -0.01 -0.00 0.57 -0.75 4.34 4.15 2oa1A1 ARG 509 HB2 -0.02 0.09 0.20 -0.04 1.90 2.14 2oa1A1 ARG 509 HB3 -0.02 -0.05 0.07 -0.04 1.80 1.76 2oa1A1 ARG 509 HG2 -0.01 -0.05 0.05 -0.04 1.67 1.62 2oa1A1 ARG 509 HG3 -0.02 0.18 0.11 -0.04 1.67 1.90 2oa1A1 ARG 509 HD2 -0.03 -0.03 0.04 -0.04 3.22 3.16 2oa1A1 ARG 509 HD3 -0.02 -0.01 0.04 -0.04 3.22 3.19 2oa1A1 GLN 510 H 0.00 0.63 -0.07 -0.55 8.47 8.48 2oa1A1 GLN 510 HA -0.01 0.04 0.48 -0.75 4.36 4.11 2oa1A1 GLN 510 HB2 0.03 0.14 0.26 -0.04 2.15 2.54 2oa1A1 GLN 510 HB3 0.03 -0.07 0.05 -0.04 2.02 1.99 2oa1A1 GLN 510 HG2 -0.02 0.02 0.17 -0.04 2.40 2.52 2oa1A1 GLN 510 HG3 -0.00 -0.02 0.12 -0.04 2.39 2.45 2oa1A1 GLN 510 HE21 0.05 0.50 0.17 -0.04 6.97 7.64 2oa1A1 GLN 510 HE22 -0.04 0.13 0.19 -0.04 7.69 7.92 2oa1A1 ARG 511 H 0.02 0.56 -0.09 -0.55 8.46 8.39 2oa1A1 ARG 511 HA 0.02 0.03 0.39 -0.75 4.34 4.03 2oa1A1 ARG 511 HB2 0.02 0.18 0.18 -0.04 1.90 2.24 2oa1A1 ARG 511 HB3 0.01 0.02 0.11 -0.04 1.80 1.91 2oa1A1 ARG 511 HG2 0.02 -0.03 0.00 -0.04 1.67 1.62 2oa1A1 ARG 511 HG3 0.02 -0.01 0.04 -0.04 1.67 1.68 2oa1A1 ARG 511 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.16 2oa1A1 ARG 511 HD3 0.02 0.01 -0.00 -0.04 3.22 3.20 2oa1A1 ASN 512 H 0.01 0.59 -0.03 -0.55 8.53 8.55 2oa1A1 ASN 512 HA 0.01 0.04 0.43 -0.75 4.76 4.48 2oa1A1 ASN 512 HB2 -0.00 0.10 0.17 -0.04 2.88 3.11 2oa1A1 ASN 512 HB3 0.00 -0.05 0.04 -0.04 2.79 2.74 2oa1A1 ASN 512 HD21 0.00 -0.06 0.02 -0.04 7.03 6.95 2oa1A1 ASN 512 HD22 0.00 0.00 -0.01 -0.04 7.74 7.69 2oa1A1 LEU 513 H -0.00 0.55 -0.16 -0.55 8.37 8.21 2oa1A1 LEU 513 HA -0.01 0.01 0.61 -0.75 4.35 4.21 2oa1A1 LEU 513 HB2 -0.02 0.16 0.11 -0.04 1.64 1.85 2oa1A1 LEU 513 HB3 -0.02 -0.04 -0.01 -0.04 1.64 1.53 2oa1A1 LEU 513 HG -0.01 0.03 0.09 -0.04 1.64 1.70 2oa1A1 LEU 513 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.81 2oa1A1 LEU 513 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 2oa1A1 LEU 514 H 0.00 0.50 -0.11 -0.55 8.37 8.22 2oa1A1 LEU 514 HA 0.01 0.03 0.52 -0.75 4.35 4.15 2oa1A1 LEU 514 HB2 0.02 0.04 0.10 -0.04 1.64 1.76 2oa1A1 LEU 514 HB3 0.02 0.10 0.16 -0.04 1.64 1.87 2oa1A1 LEU 514 HG 0.03 -0.00 -0.13 -0.04 1.64 1.49 2oa1A1 LEU 514 HD13 0.03 0.01 0.02 -0.04 0.93 0.96 2oa1A1 LEU 514 HD23 0.04 -0.03 -0.03 -0.04 0.89 0.83 2oa1A1 GLU 515 H 0.01 0.35 -0.25 -0.55 8.60 8.16 2oa1A1 GLU 515 HA 0.02 0.07 0.52 -0.75 4.29 4.14 2oa1A1 GLU 515 HB2 0.01 0.07 0.13 -0.04 2.09 2.26 2oa1A1 GLU 515 HB3 0.01 -0.07 -0.01 -0.04 1.99 1.88 2oa1A1 GLU 515 HG2 0.02 -0.04 0.02 -0.04 2.34 2.29 2oa1A1 GLU 515 HG3 0.02 0.03 0.01 -0.04 2.34 2.36 2oa1A1 THR 516 H 0.01 0.25 -0.16 -0.55 8.28 7.83 2oa1A1 THR 516 HA 0.01 0.19 0.83 -0.75 4.39 4.66 2oa1A1 THR 516 HB 0.01 -0.12 0.09 -0.04 4.32 4.26 2oa1A1 THR 516 HG23 0.01 -0.00 -0.01 -0.04 1.22 1.17 2oa1A1 LEU 517 H 0.01 0.45 -0.06 -0.55 8.37 8.21 2oa1A1 LEU 517 HA 0.00 -0.00 0.50 -0.75 4.35 4.09 2oa1A1 LEU 517 HB2 -0.00 0.14 0.12 -0.04 1.64 1.85 2oa1A1 LEU 517 HB3 -0.01 0.08 0.01 -0.04 1.64 1.68 2oa1A1 LEU 517 HG -0.02 -0.09 0.03 -0.04 1.64 1.52 2oa1A1 LEU 517 HD13 -0.04 0.04 -0.10 -0.04 0.93 0.79 2oa1A1 LEU 517 HD23 -0.05 -0.01 -0.16 -0.04 0.89 0.62 2oa1A1 PRO 518 HA 0.04 0.09 0.63 -0.51 4.44 4.69 2oa1A1 PRO 518 HB2 0.10 0.03 0.09 -0.04 2.28 2.45 2oa1A1 PRO 518 HB3 0.07 -0.01 0.16 -0.04 2.02 2.19 2oa1A1 PRO 518 HG2 0.08 0.12 0.09 -0.04 2.03 2.28 2oa1A1 PRO 518 HG3 0.12 -0.13 0.12 -0.04 2.03 2.10 2oa1A1 PRO 518 HD2 -0.00 0.12 0.23 -0.04 3.68 3.99 2oa1A1 PRO 518 HD3 0.03 0.09 0.29 -0.04 3.65 4.02 2oa1A1 SER 519 H 0.06 0.07 0.19 -0.55 8.46 8.24 2oa1A1 SER 519 HA 0.06 0.32 0.72 -0.75 4.49 4.84 2oa1A1 SER 519 HB2 0.10 0.10 0.24 -0.04 3.95 4.35 2oa1A1 SER 519 HB3 0.08 0.14 0.19 -0.04 3.93 4.30 2oa1A1 LEU 520 H 0.08 0.79 0.27 -0.55 8.37 8.96 2oa1A1 LEU 520 HA 0.12 0.01 0.46 -0.75 4.35 4.19 2oa1A1 LEU 520 HB2 0.06 0.18 -0.14 -0.04 1.64 1.69 2oa1A1 LEU 520 HB3 0.08 0.22 0.13 -0.04 1.64 2.02 2oa1A1 LEU 520 HG 0.10 -0.08 -0.23 -0.04 1.64 1.39 2oa1A1 LEU 520 HD13 0.20 -0.03 0.04 -0.04 0.93 1.10 2oa1A1 LEU 520 HD23 0.04 -0.02 -0.24 -0.04 0.89 0.64 2oa1A1 HIS 521 H 0.18 0.17 0.02 -0.55 8.41 8.23 2oa1A1 HIS 521 HA 0.06 0.07 0.40 -0.75 4.63 4.40 2oa1A1 HIS 521 HB2 0.05 -0.06 0.13 -0.04 3.26 3.35 2oa1A1 HIS 521 HB3 0.05 0.02 0.14 -0.04 3.20 3.36 2oa1A1 HIS 521 HD2 0.03 0.02 -0.09 -0.04 6.97 6.89 2oa1A1 HIS 521 HE1 0.02 -0.04 -0.13 -0.04 7.75 7.56 2oa1A1 GLU 522 H 0.10 0.07 -0.27 -0.55 8.60 7.95 2oa1A1 GLU 522 HA -0.13 0.05 0.42 -0.75 4.29 3.88 2oa1A1 GLU 522 HB2 0.05 -0.04 0.14 -0.04 2.09 2.20 2oa1A1 GLU 522 HB3 0.06 0.07 0.09 -0.04 1.99 2.17 2oa1A1 GLU 522 HG2 -0.02 -0.00 -0.03 -0.04 2.34 2.25 2oa1A1 GLU 522 HG3 -0.01 -0.00 0.06 -0.04 2.34 2.35 2oa1A1 PHE 523 H 0.18 0.56 -0.13 -0.55 8.34 8.39 2oa1A1 PHE 523 HA -0.02 0.02 0.46 -0.75 4.62 4.32 2oa1A1 PHE 523 HB2 0.00 0.07 0.07 -0.04 3.15 3.24 2oa1A1 PHE 523 HB3 0.04 0.03 0.11 -0.04 3.06 3.20 2oa1A1 PHE 523 HD2 0.08 -0.01 -0.29 -0.04 7.28 7.01 2oa1A1 PHE 523 HE2 0.09 0.04 -0.11 -0.04 7.38 7.35 2oa1A1 PHE 523 HZ -0.01 -0.01 -0.07 -0.04 7.32 7.19 2oa1A1 LEU 524 H 0.11 0.71 -0.13 -0.55 8.37 8.52 2oa1A1 LEU 524 HA 0.05 -0.00 0.37 -0.75 4.35 4.01 2oa1A1 LEU 524 HB2 0.04 0.06 0.10 -0.04 1.64 1.80 2oa1A1 LEU 524 HB3 0.08 -0.04 -0.04 -0.04 1.64 1.61 2oa1A1 LEU 524 HG 0.12 0.09 -0.00 -0.04 1.64 1.81 2oa1A1 LEU 524 HD13 0.05 -0.04 -0.11 -0.04 0.93 0.79 2oa1A1 LEU 524 HD23 -0.09 -0.01 -0.01 -0.04 0.89 0.74 2oa1A1 ARG 525 H -0.17 0.51 -0.16 -0.55 8.46 8.09 2oa1A1 ARG 525 HA -0.08 -0.01 0.41 -0.75 4.34 3.90 2oa1A1 ARG 525 HB2 -0.22 0.16 0.18 -0.04 1.90 1.98 2oa1A1 ARG 525 HB3 -0.13 -0.02 -0.03 -0.04 1.80 1.59 2oa1A1 ARG 525 HG2 -0.11 -0.03 0.03 -0.04 1.67 1.51 2oa1A1 ARG 525 HG3 -0.42 0.01 0.02 -0.04 1.67 1.23 2oa1A1 ARG 525 HD2 -0.05 -0.06 -0.03 -0.04 3.22 3.04 2oa1A1 ARG 525 HD3 -0.41 -0.01 -0.07 -0.04 3.22 2.69 2oa1A1 GLN 526 H -0.20 0.36 -0.19 -0.55 8.47 7.90 2oa1A1 GLN 526 HA -0.15 0.02 0.47 -0.75 4.36 3.95 2oa1A1 GLN 526 HB2 -0.18 -0.06 0.10 -0.04 2.15 1.97 2oa1A1 GLN 526 HB3 -0.40 0.11 0.19 -0.04 2.02 1.88 2oa1A1 GLN 526 HG2 -0.30 0.04 -0.35 -0.04 2.40 1.75 2oa1A1 GLN 526 HG3 -0.16 -0.06 -0.01 -0.04 2.39 2.13 2oa1A1 GLN 526 HE21 -0.11 0.32 0.13 -0.04 6.97 7.27 2oa1A1 GLN 526 HE22 -0.50 -0.03 -0.04 -0.04 7.69 7.08 2oa1A1 GLN 527 H -0.48 0.69 0.02 -0.55 8.47 8.16 2oa1A1 GLN 527 HA -0.32 -0.02 0.35 -0.75 4.36 3.62 2oa1A1 GLN 527 HB2 -0.57 -0.02 0.04 -0.04 2.15 1.55 2oa1A1 GLN 527 HB3 -0.25 0.01 0.09 -0.04 2.02 1.83 2oa1A1 GLN 527 HG2 -0.06 -0.06 -0.12 -0.04 2.40 2.11 2oa1A1 GLN 527 HG3 -0.54 0.04 -0.33 -0.04 2.39 1.52 2oa1A1 GLN 527 HE21 -0.09 -0.10 -0.03 -0.04 6.97 6.70 2oa1A1 GLN 527 HE22 -0.25 0.01 -0.10 -0.04 7.69 7.31 2oa1A1 HIS 528 H -0.08 0.73 -0.17 -0.55 8.41 8.34 2oa1A1 HIS 528 HA -0.09 0.09 0.59 -0.75 4.63 4.46 2oa1A1 HIS 528 HB2 -0.08 0.11 0.06 -0.04 3.26 3.31 2oa1A1 HIS 528 HB3 -0.06 -0.07 0.06 -0.04 3.20 3.09 2oa1A1 HIS 528 HD2 -0.10 -0.02 -0.01 -0.04 6.97 6.80 2oa1A1 HIS 528 HE1 -0.14 0.05 0.02 -0.04 7.75 7.64