============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 16 1.000 -44.749 34.464 26.703 -99.200 -91.000 TYR 27 0.840 -49.999 31.846 23.745 -99.200 -91.000 PHE 33 1.000 -46.485 20.535 15.523 -99.200 -91.000 TYR 34 0.840 -53.864 25.571 15.015 -99.200 -91.000 TYR 36 0.840 -57.575 24.363 20.557 -99.200 -91.000 TRP 49 1.040 -51.106 37.967 30.299 -99.200 -91.000 TRP6 49 1.020 -50.481 39.391 28.523 -99.200 -91.000 HIS 69 0.900 -55.705 19.136 11.767 -99.200 -91.000 HIS 74 0.900 -70.018 23.882 1.978 -99.200 -91.000 PHE 76 1.000 -63.988 19.372 -7.846 -99.200 -91.000 TYR 81 0.840 -62.940 16.339 -1.610 -99.200 -91.000 TRP 82 1.040 -60.062 9.576 -5.314 -99.200 -91.000 TRP6 82 1.020 -61.497 9.981 -7.165 -99.200 -91.000 TYR 87 0.840 -58.213 16.129 11.120 -99.200 -91.000 TYR 88 0.840 -58.058 16.165 3.456 -99.200 -91.000 PHE 96 1.000 -59.851 18.836 -5.561 -99.200 -91.000 HIS 97 0.900 -59.594 12.045 -9.887 -99.200 -91.000 TYR 99 0.840 -69.750 13.905 -10.806 -99.200 -91.000 TYR 102 0.840 -70.109 18.829 -15.947 -99.200 -91.000 TRP 118 1.040 -56.011 22.025 0.731 -99.200 -91.000 TRP6 118 1.020 -55.535 19.710 0.820 -99.200 -91.000 TYR 131 0.840 -71.935 36.270 -21.811 -99.200 -91.000 TYR 148 0.840 -71.615 29.053 -12.778 -99.200 -91.000 TYR 156 0.840 -66.682 32.450 -4.456 -99.200 -91.000 HIS 157 0.900 -71.647 33.437 1.733 -99.200 -91.000 TRP 178 1.040 -66.830 34.169 -13.450 -99.200 -91.000 TRP6 178 1.020 -69.065 34.274 -12.654 -99.200 -91.000 PHE 189 1.000 -52.928 28.391 10.779 -99.200 -91.000 TYR 191 0.840 -48.480 36.226 10.718 -99.200 -91.000 PHE 201 1.000 -45.575 45.712 -4.770 -99.200 -91.000 TYR 224 0.840 -51.032 59.093 -5.442 -99.200 -91.000 PHE 238 1.000 -43.685 56.940 10.481 -99.200 -91.000 TYR 255 0.840 -38.922 46.731 -12.706 -99.200 -91.000 TYR 261 0.840 -41.813 57.368 -5.916 -99.200 -91.000 TYR 266 0.840 -53.306 56.653 8.059 -99.200 -91.000 TYR 269 0.840 -56.320 65.695 13.801 -99.200 -91.000 TRP 273 1.040 -44.085 63.158 6.268 -99.200 -91.000 TRP6 273 1.020 -42.779 64.326 7.866 -99.200 -91.000 TRP 286 1.040 -35.997 66.776 -3.644 -99.200 -91.000 TRP6 286 1.020 -38.333 66.587 -3.256 -99.200 -91.000 TYR 296 0.840 -45.837 58.369 15.712 -99.200 -91.000 TYR 309 0.840 -60.921 63.521 -4.440 -99.200 -91.000 TRP 314 1.040 -59.197 66.929 -12.660 -99.200 -91.000 TRP6 314 1.020 -58.117 64.834 -12.846 -99.200 -91.000 TRP 320 1.040 -58.371 63.999 -17.972 -99.200 -91.000 TRP6 320 1.020 -59.840 62.237 -17.372 -99.200 -91.000 HIS 325 0.900 -53.539 58.573 -10.620 -99.200 -91.000 HIS 335 0.900 -58.322 46.987 14.729 -99.200 -91.000 TYR 353 0.840 -65.621 58.212 -17.642 -99.200 -91.000 TYR 365 0.840 -55.316 54.214 -17.698 -99.200 -91.000 TYR 369 0.840 -50.163 46.630 -5.681 -99.200 -91.000 PHE 371 1.000 -46.865 45.645 0.461 -99.200 -91.000 HIS 394 0.900 -53.929 44.363 -6.642 -99.200 -91.000 PHE 396 1.000 -49.132 41.415 -1.313 -99.200 -91.000 PHE 408 1.000 -41.326 46.463 0.107 -99.200 -91.000 TYR 409 0.840 -33.156 44.472 3.502 -99.200 -91.000 TRP 425 1.040 -38.716 35.162 -7.886 -99.200 -91.000 TRP6 425 1.020 -38.608 37.290 -6.840 -99.200 -91.000 HIS 427 0.900 -38.183 30.901 -10.067 -99.200 -91.000 TYR 433 0.840 -32.712 18.779 -6.547 -99.200 -91.000 HIS 434 0.900 -37.338 25.082 -10.505 -99.200 -91.000 TRP 438 1.040 -28.947 24.373 -0.425 -99.200 -91.000 TRP6 438 1.020 -30.753 25.875 -0.108 -99.200 -91.000 HIS 451 0.900 -26.312 2.692 -3.763 -99.200 -91.000 TYR 462 0.840 -13.736 24.761 -11.430 -99.200 -91.000 PHE 463 1.000 -13.099 23.531 -4.367 -99.200 -91.000 HIS 469 0.900 -20.357 10.863 7.982 -99.200 -91.000 PHE 471 1.000 -16.670 11.566 -0.047 -99.200 -91.000 HIS 478 0.900 -12.259 4.442 -10.812 -99.200 -91.000 PHE 498 1.000 -10.939 12.390 2.756 -99.200 -91.000 HIS 499 0.900 -9.825 20.355 9.401 -99.200 -91.000 TYR 502 0.840 -12.752 12.115 8.984 -99.200 -91.000 PHE 515 1.000 -12.089 12.221 17.909 -99.200 -91.000 TYR 516 0.840 -18.944 9.911 13.391 -99.200 -91.000 TYR 518 0.840 -10.672 19.795 13.752 -99.200 -91.000 TYR 531 0.840 -23.089 29.091 -9.401 -99.200 -91.000 PHE 575 1.000 -32.771 17.838 9.027 -99.200 -91.000 TYR 589 0.840 -36.500 25.904 17.025 -99.200 -91.000 TYR 605 0.840 -28.944 8.048 27.234 -99.200 -91.000 TYR 609 0.840 -19.373 7.936 20.218 -99.200 -91.000 PHE 623 1.000 -18.762 16.819 16.356 -99.200 -91.000 TYR 632 0.840 -39.819 25.557 20.337 -99.200 -91.000 HIS 649 0.900 -35.442 31.464 5.122 -99.200 -91.000 PHE 654 1.000 -33.243 29.576 2.200 -99.200 -91.000 TRP 662 1.040 -21.326 12.570 15.667 -99.200 -91.000 TRP6 662 1.020 -21.913 11.881 17.861 -99.200 -91.000 HIS 680 0.900 -32.139 8.410 24.222 -99.200 -91.000 PHE 684 1.000 -24.127 15.208 19.404 -99.200 -91.000 HIS 685 0.900 -26.565 18.955 12.731 -99.200 -91.000 PHE 689 1.000 -19.804 31.453 12.088 -99.200 -91.000 TRP 694 1.040 -9.667 22.007 5.094 -99.200 -91.000 TRP6 694 1.020 -11.912 21.463 4.555 -99.200 -91.000 PHE 706 1.000 -14.155 31.594 2.973 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ok5A1 GLN 9 HA -0.03 -0.07 0.13 -0.75 4.36 3.64 2ok5A1 GLN 9 HB2 -0.04 0.02 0.07 -0.04 2.15 2.15 2ok5A1 GLN 9 HB3 -0.05 -0.34 0.19 -0.04 2.02 1.78 2ok5A1 GLN 9 HG2 -0.03 -0.02 0.05 -0.04 2.40 2.37 2ok5A1 GLN 9 HG3 -0.03 -0.00 0.05 -0.04 2.39 2.37 2ok5A1 GLN 9 HE21 -0.02 -0.01 0.03 -0.04 6.97 6.93 2ok5A1 GLN 9 HE22 -0.02 0.04 0.06 -0.04 7.69 7.72 2ok5A1 GLY 10 H -0.06 0.01 0.07 -0.55 8.43 7.90 2ok5A1 GLY 10 HA2 -0.05 -0.03 0.25 -0.51 4.01 3.67 2ok5A1 GLY 10 HA3 -0.07 -0.01 0.29 -0.51 4.01 3.71 2ok5A1 SER 11 H -0.06 0.03 0.16 -0.55 8.46 8.04 2ok5A1 SER 11 HA -0.15 0.30 0.82 -0.75 4.49 4.71 2ok5A1 SER 11 HB2 -0.03 -0.08 0.07 -0.04 3.95 3.87 2ok5A1 SER 11 HB3 -0.02 -0.01 -0.03 -0.04 3.93 3.82 2ok5A1 CYS 12 H -0.19 0.26 0.14 -0.55 8.50 8.15 2ok5A1 CYS 12 HA -0.19 0.16 0.92 -0.75 4.58 4.72 2ok5A1 CYS 12 HB2 -1.32 -0.01 0.00 -0.04 2.97 1.61 2ok5A1 CYS 12 HB3 -0.86 0.11 -0.14 -0.04 2.97 2.03 2ok5A1 SER 13 H 0.00 0.22 0.21 -0.55 8.46 8.35 2ok5A1 SER 13 HA 0.11 -0.01 0.50 -0.75 4.49 4.34 2ok5A1 SER 13 HB2 0.05 0.03 0.16 -0.04 3.95 4.14 2ok5A1 SER 13 HB3 0.07 0.12 0.19 -0.04 3.93 4.27 2ok5A1 LEU 14 H 0.14 0.10 0.17 -0.55 8.37 8.23 2ok5A1 LEU 14 HA 0.12 0.25 0.63 -0.75 4.35 4.59 2ok5A1 LEU 14 HB2 0.14 -0.04 0.07 -0.04 1.64 1.77 2ok5A1 LEU 14 HB3 0.07 -0.03 0.12 -0.04 1.64 1.76 2ok5A1 LEU 14 HG 0.23 0.07 -0.01 -0.04 1.64 1.89 2ok5A1 LEU 14 HD13 0.22 -0.01 0.00 -0.04 0.93 1.10 2ok5A1 LEU 14 HD23 -0.03 0.02 -0.09 -0.04 0.89 0.75 2ok5A1 GLU 15 H 0.10 0.02 -0.30 -0.55 8.60 7.87 2ok5A1 GLU 15 HA 0.05 -0.00 0.44 -0.75 4.29 4.02 2ok5A1 GLU 15 HB2 0.06 0.02 0.08 -0.04 2.09 2.21 2ok5A1 GLU 15 HB3 0.04 0.05 -0.01 -0.04 1.99 2.04 2ok5A1 GLU 15 HG2 0.04 0.03 0.04 -0.04 2.34 2.40 2ok5A1 GLU 15 HG3 0.05 -0.08 0.04 -0.04 2.34 2.31 2ok5A1 GLY 16 H 0.03 0.10 0.22 -0.55 8.43 8.23 2ok5A1 GLY 16 HA2 0.02 -0.00 0.36 -0.51 4.01 3.87 2ok5A1 GLY 16 HA3 0.02 0.14 0.35 -0.51 4.01 4.02 2ok5A1 VAL 17 H -0.06 0.31 -0.34 -0.55 8.24 7.60 2ok5A1 VAL 17 HA -0.07 0.21 0.60 -0.75 4.13 4.11 2ok5A1 VAL 17 HB -0.55 -0.02 0.02 -0.04 2.12 1.54 2ok5A1 VAL 17 HG13 -0.45 0.02 -0.16 -0.04 0.97 0.34 2ok5A1 VAL 17 HG23 -0.75 0.06 -0.13 -0.04 0.95 0.10 2ok5A1 GLU 18 H 0.03 -0.08 -0.25 -0.55 8.60 7.76 2ok5A1 GLU 18 HA 0.25 0.01 0.30 -0.75 4.29 4.10 2ok5A1 GLU 18 HB2 0.07 0.09 0.02 -0.04 2.09 2.22 2ok5A1 GLU 18 HB3 0.12 -0.05 0.07 -0.04 1.99 2.09 2ok5A1 GLU 18 HG2 0.01 0.06 -0.17 -0.04 2.34 2.20 2ok5A1 GLU 18 HG3 0.01 0.00 -0.07 -0.04 2.34 2.25 2ok5A1 ILE 19 H 0.07 0.14 0.04 -0.55 8.25 7.95 2ok5A1 ILE 19 HA -0.23 0.27 0.76 -0.75 4.18 4.23 2ok5A1 ILE 19 HB -1.06 0.07 -0.14 -0.04 1.89 0.71 2ok5A1 ILE 19 HG12 -0.23 -0.01 -0.48 -0.04 1.49 0.73 2ok5A1 ILE 19 HG13 -0.32 0.04 -0.66 -0.04 1.21 0.22 2ok5A1 ILE 19 HG23 -0.01 -0.05 -0.19 -0.04 0.93 0.64 2ok5A1 ILE 19 HD13 -0.54 0.02 -0.29 -0.04 0.88 0.03 2ok5A1 LYS 20 H -0.11 0.68 0.22 -0.55 8.42 8.66 2ok5A1 LYS 20 HA -0.06 -0.01 0.53 -0.75 4.32 4.03 2ok5A1 LYS 20 HB2 -0.06 0.03 0.13 -0.04 1.87 1.94 2ok5A1 LYS 20 HB3 -0.08 -0.02 0.25 -0.04 1.79 1.91 2ok5A1 LYS 20 HG2 -0.07 0.04 -0.12 -0.04 1.46 1.26 2ok5A1 LYS 20 HG3 -0.05 -0.03 0.05 -0.04 1.46 1.39 2ok5A1 LYS 20 HD2 -0.04 -0.01 0.00 -0.04 1.69 1.60 2ok5A1 LYS 20 HD3 -0.05 0.01 0.00 -0.04 1.68 1.60 2ok5A1 LYS 20 HE2 -0.05 0.02 -0.01 -0.04 2.99 2.91 2ok5A1 LYS 20 HE3 -0.04 -0.01 -0.00 -0.04 2.99 2.89 2ok5A1 GLY 21 H -0.04 0.16 0.32 -0.55 8.43 8.32 2ok5A1 GLY 21 HA2 -0.02 0.06 0.44 -0.51 4.01 3.98 2ok5A1 GLY 21 HA3 -0.12 0.09 0.57 -0.51 4.01 4.03 2ok5A1 GLY 22 H 0.00 0.38 -0.00 -0.55 8.43 8.27 2ok5A1 GLY 22 HA2 -0.04 0.12 0.79 -0.51 4.01 4.37 2ok5A1 GLY 22 HA3 -0.05 0.03 0.23 -0.51 4.01 3.71 2ok5A1 SER 23 H 0.05 0.75 0.35 -0.55 8.46 9.06 2ok5A1 SER 23 HA 0.04 0.11 0.76 -0.75 4.49 4.65 2ok5A1 SER 23 HB2 -0.16 -0.08 0.25 -0.04 3.95 3.92 2ok5A1 SER 23 HB3 0.01 0.04 -0.01 -0.04 3.93 3.93 2ok5A1 PHE 24 H -0.41 0.25 0.26 -0.55 8.34 7.89 2ok5A1 PHE 24 HA 0.03 0.24 0.78 -0.75 4.62 4.91 2ok5A1 PHE 24 HB2 -0.24 0.03 -0.01 -0.04 3.15 2.89 2ok5A1 PHE 24 HB3 0.08 0.07 -0.16 -0.04 3.06 3.01 2ok5A1 PHE 24 HD2 -0.03 -0.00 -0.34 -0.04 7.28 6.87 2ok5A1 PHE 24 HE2 -0.05 -0.04 -0.11 -0.04 7.38 7.14 2ok5A1 PHE 24 HZ -0.05 -0.03 -0.04 -0.04 7.32 7.16 2ok5A1 ARG 25 H 0.12 0.66 0.38 -0.55 8.46 9.07 2ok5A1 ARG 25 HA 0.03 0.12 0.83 -0.75 4.34 4.56 2ok5A1 ARG 25 HB2 0.02 0.01 0.09 -0.04 1.90 1.98 2ok5A1 ARG 25 HB3 -0.00 0.04 0.01 -0.04 1.80 1.81 2ok5A1 ARG 25 HG2 0.05 0.15 0.03 -0.04 1.67 1.85 2ok5A1 ARG 25 HG3 0.03 -0.08 -0.03 -0.04 1.67 1.55 2ok5A1 ARG 25 HD2 0.00 0.00 -0.05 -0.04 3.22 3.13 2ok5A1 ARG 25 HD3 0.02 0.05 -0.05 -0.04 3.22 3.19 2ok5A1 LEU 26 H 0.07 0.13 0.20 -0.55 8.37 8.23 2ok5A1 LEU 26 HA 0.09 0.25 0.91 -0.75 4.35 4.84 2ok5A1 LEU 26 HB2 0.09 -0.05 0.14 -0.04 1.64 1.78 2ok5A1 LEU 26 HB3 0.13 -0.00 0.12 -0.04 1.64 1.84 2ok5A1 LEU 26 HG 0.21 -0.07 -0.03 -0.04 1.64 1.71 2ok5A1 LEU 26 HD13 0.15 0.00 0.01 -0.04 0.93 1.05 2ok5A1 LEU 26 HD23 0.16 0.03 -0.06 -0.04 0.89 0.98 2ok5A1 LEU 27 H 0.09 0.84 0.35 -0.55 8.37 9.11 2ok5A1 LEU 27 HA 0.04 0.13 0.87 -0.75 4.35 4.63 2ok5A1 LEU 27 HB2 0.06 0.01 -0.11 -0.04 1.64 1.56 2ok5A1 LEU 27 HB3 0.04 -0.06 0.07 -0.04 1.64 1.65 2ok5A1 LEU 27 HG 0.04 0.02 -0.39 -0.04 1.64 1.26 2ok5A1 LEU 27 HD13 0.04 0.01 -0.21 -0.04 0.93 0.74 2ok5A1 LEU 27 HD23 0.03 0.02 -0.06 -0.04 0.89 0.84 2ok5A1 GLN 28 H 0.02 0.15 0.15 -0.55 8.47 8.24 2ok5A1 GLN 28 HA 0.01 0.05 0.34 -0.75 4.36 4.00 2ok5A1 GLN 28 HB2 0.03 0.02 -0.22 -0.04 2.15 1.94 2ok5A1 GLN 28 HB3 0.01 0.12 0.16 -0.04 2.02 2.26 2ok5A1 GLN 28 HG2 0.01 -0.01 0.04 -0.04 2.40 2.39 2ok5A1 GLN 28 HG3 0.03 -0.08 -0.09 -0.04 2.39 2.21 2ok5A1 GLN 28 HE21 -0.00 0.05 -0.01 -0.04 6.97 6.96 2ok5A1 GLN 28 HE22 0.01 -0.08 -0.00 -0.04 7.69 7.58 2ok5A1 GLU 29 H 0.02 0.03 -0.13 -0.55 8.60 7.97 2ok5A1 GLU 29 HA 0.03 -0.01 0.25 -0.75 4.29 3.81 2ok5A1 GLU 29 HB2 0.01 0.18 0.03 -0.04 2.09 2.26 2ok5A1 GLU 29 HB3 0.01 0.06 0.23 -0.04 1.99 2.24 2ok5A1 GLU 29 HG2 0.01 -0.06 0.04 -0.04 2.34 2.29 2ok5A1 GLU 29 HG3 0.00 -0.02 -0.08 -0.04 2.34 2.20 2ok5A1 GLY 30 H 0.07 0.16 -0.24 -0.55 8.43 7.88 2ok5A1 GLY 30 HA2 0.17 -0.05 0.32 -0.51 4.01 3.94 2ok5A1 GLY 30 HA3 0.08 0.12 0.49 -0.51 4.01 4.20 2ok5A1 GLN 31 H 0.04 0.25 -0.36 -0.55 8.47 7.85 2ok5A1 GLN 31 HA -0.12 0.13 0.62 -0.75 4.36 4.24 2ok5A1 GLN 31 HB2 -0.00 -0.01 0.10 -0.04 2.15 2.19 2ok5A1 GLN 31 HB3 -0.05 -0.07 0.12 -0.04 2.02 1.98 2ok5A1 GLN 31 HG2 -0.02 0.12 -0.03 -0.04 2.40 2.43 2ok5A1 GLN 31 HG3 -0.03 -0.05 0.03 -0.04 2.39 2.30 2ok5A1 GLN 31 HE21 -0.09 0.29 -0.33 -0.04 6.97 6.79 2ok5A1 GLN 31 HE22 -0.04 0.02 -0.15 -0.04 7.69 7.48 2ok5A1 ALA 32 H 0.14 0.33 0.02 -0.55 8.40 8.34 2ok5A1 ALA 32 HA 0.34 0.22 0.77 -0.75 4.34 4.91 2ok5A1 ALA 32 HB3 0.08 -0.02 0.03 -0.04 1.41 1.46 2ok5A1 LEU 33 H 0.07 0.63 0.37 -0.55 8.37 8.90 2ok5A1 LEU 33 HA -0.03 0.15 0.83 -0.75 4.35 4.54 2ok5A1 LEU 33 HB2 -0.35 0.06 0.06 -0.04 1.64 1.37 2ok5A1 LEU 33 HB3 -0.56 0.01 -0.13 -0.04 1.64 0.92 2ok5A1 LEU 33 HG -0.81 -0.07 -0.06 -0.04 1.64 0.66 2ok5A1 LEU 33 HD13 -0.95 0.00 -0.39 -0.04 0.93 -0.45 2ok5A1 LEU 33 HD23 -1.78 0.01 -0.16 -0.04 0.89 -1.08 2ok5A1 GLU 34 H -0.04 0.55 0.34 -0.55 8.60 8.91 2ok5A1 GLU 34 HA -0.08 0.27 1.03 -0.75 4.29 4.76 2ok5A1 GLU 34 HB2 0.04 -0.09 0.02 -0.04 2.09 2.03 2ok5A1 GLU 34 HB3 0.04 -0.10 0.11 -0.04 1.99 2.00 2ok5A1 GLU 34 HG2 0.11 0.33 -0.08 -0.04 2.34 2.66 2ok5A1 GLU 34 HG3 0.11 0.04 0.09 -0.04 2.34 2.54 2ok5A1 TYR 35 H 0.01 0.65 0.29 -0.55 8.29 8.69 2ok5A1 TYR 35 HA 0.09 0.12 0.91 -0.75 4.56 4.92 2ok5A1 TYR 35 HB2 0.03 0.10 0.14 -0.04 3.06 3.29 2ok5A1 TYR 35 HB3 0.02 -0.03 -0.04 -0.04 2.98 2.90 2ok5A1 TYR 35 HD2 0.04 0.20 -0.10 -0.04 7.15 7.25 2ok5A1 TYR 35 HE2 -0.10 0.02 -0.17 -0.04 6.85 6.56 2ok5A1 VAL 36 H 0.20 0.71 0.24 -0.55 8.24 8.84 2ok5A1 VAL 36 HA 0.10 0.16 0.84 -0.75 4.13 4.47 2ok5A1 VAL 36 HB 0.05 -0.12 -0.08 -0.04 2.12 1.92 2ok5A1 VAL 36 HG13 0.02 0.01 -0.14 -0.04 0.97 0.82 2ok5A1 VAL 36 HG23 0.06 0.02 -0.28 -0.04 0.95 0.70 2ok5A1 CYS 37 H 0.04 0.24 0.13 -0.55 8.50 8.36 2ok5A1 CYS 37 HA -0.17 0.17 0.92 -0.75 4.58 4.75 2ok5A1 CYS 37 HB2 0.03 0.19 -0.22 -0.04 2.97 2.92 2ok5A1 CYS 37 HB3 -0.04 0.06 -0.16 -0.04 2.97 2.79 2ok5A1 PRO 38 HA -0.08 0.01 0.48 -0.51 4.44 4.33 2ok5A1 PRO 38 HB2 -0.09 0.14 -0.07 -0.04 2.28 2.22 2ok5A1 PRO 38 HB3 -0.10 -0.02 0.07 -0.04 2.02 1.93 2ok5A1 PRO 38 HG2 -0.48 0.06 0.07 -0.04 2.03 1.63 2ok5A1 PRO 38 HG3 -1.03 -0.03 0.04 -0.04 2.03 0.97 2ok5A1 PRO 38 HD2 -0.32 0.07 0.15 -0.04 3.68 3.54 2ok5A1 PRO 38 HD3 -0.55 0.22 0.31 -0.04 3.65 3.59 2ok5A1 SER 39 H 0.06 0.06 0.15 -0.55 8.46 8.18 2ok5A1 SER 39 HA 0.07 0.05 0.50 -0.75 4.49 4.36 2ok5A1 SER 39 HB2 0.04 -0.02 0.18 -0.04 3.95 4.11 2ok5A1 SER 39 HB3 0.05 0.00 0.16 -0.04 3.93 4.10 2ok5A1 GLY 40 H 0.05 0.20 0.26 -0.55 8.43 8.40 2ok5A1 GLY 40 HA2 -0.08 0.07 0.45 -0.51 4.01 3.94 2ok5A1 GLY 40 HA3 -0.05 0.10 0.66 -0.51 4.01 4.20 2ok5A1 PHE 41 H 0.16 0.44 -0.07 -0.55 8.34 8.32 2ok5A1 PHE 41 HA -0.10 0.17 0.71 -0.75 4.62 4.65 2ok5A1 PHE 41 HB2 -0.11 0.08 -0.16 -0.04 3.15 2.92 2ok5A1 PHE 41 HB3 -0.16 -0.07 -0.25 -0.04 3.06 2.55 2ok5A1 PHE 41 HD2 -0.10 0.05 -0.57 -0.04 7.28 6.63 2ok5A1 PHE 41 HE2 -0.05 -0.02 -0.05 -0.04 7.38 7.22 2ok5A1 PHE 41 HZ -0.03 -0.03 -0.03 -0.04 7.32 7.19 2ok5A1 TYR 42 H -0.16 0.61 0.22 -0.55 8.29 8.41 2ok5A1 TYR 42 HA -0.08 0.17 0.77 -0.75 4.56 4.66 2ok5A1 TYR 42 HB2 -0.46 -0.01 0.03 -0.04 3.06 2.59 2ok5A1 TYR 42 HB3 -0.91 -0.03 -0.22 -0.04 2.98 1.78 2ok5A1 TYR 42 HD2 -0.24 0.08 -0.29 -0.04 7.15 6.67 2ok5A1 TYR 42 HE2 -0.13 0.10 -0.19 -0.04 6.85 6.59 2ok5A1 PRO 43 HA -0.17 0.11 0.52 -0.51 4.44 4.39 2ok5A1 PRO 43 HB2 0.15 0.22 -0.05 -0.04 2.28 2.56 2ok5A1 PRO 43 HB3 0.06 -0.02 -0.04 -0.04 2.02 1.98 2ok5A1 PRO 43 HG2 0.21 0.09 0.09 -0.04 2.03 2.37 2ok5A1 PRO 43 HG3 0.13 -0.01 -0.18 -0.04 2.03 1.93 2ok5A1 PRO 43 HD2 0.29 0.04 0.11 -0.04 3.68 4.08 2ok5A1 PRO 43 HD3 0.18 0.13 0.19 -0.04 3.65 4.11 2ok5A1 TYR 44 H -0.15 0.78 0.41 -0.55 8.29 8.78 2ok5A1 TYR 44 HA -0.04 0.12 0.74 -0.75 4.56 4.63 2ok5A1 TYR 44 HB2 -0.45 0.01 -0.00 -0.04 3.06 2.58 2ok5A1 TYR 44 HB3 -0.25 0.09 0.18 -0.04 2.98 2.96 2ok5A1 TYR 44 HD2 0.01 0.02 -0.09 -0.04 7.15 7.04 2ok5A1 TYR 44 HE2 0.01 -0.03 -0.02 -0.04 6.85 6.77 2ok5A1 PRO 45 HA -0.78 0.04 0.37 -0.51 4.44 3.55 2ok5A1 PRO 45 HB2 -0.30 0.28 -0.16 -0.04 2.28 2.05 2ok5A1 PRO 45 HB3 -0.92 -0.06 -0.06 -0.04 2.02 0.94 2ok5A1 PRO 45 HG2 -0.15 0.01 -0.12 -0.04 2.03 1.74 2ok5A1 PRO 45 HG3 -0.23 -0.01 -0.24 -0.04 2.03 1.51 2ok5A1 PRO 45 HD2 -0.12 0.09 0.25 -0.04 3.68 3.86 2ok5A1 PRO 45 HD3 -0.20 0.12 0.12 -0.04 3.65 3.65 2ok5A1 VAL 46 H -0.03 0.20 -0.22 -0.55 8.24 7.65 2ok5A1 VAL 46 HA 0.05 0.17 0.98 -0.75 4.13 4.59 2ok5A1 VAL 46 HB 0.05 -0.04 0.12 -0.04 2.12 2.21 2ok5A1 VAL 46 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 2ok5A1 VAL 46 HG23 0.08 -0.01 -0.11 -0.04 0.95 0.87 2ok5A1 GLN 47 H 0.10 0.11 0.19 -0.55 8.47 8.32 2ok5A1 GLN 47 HA 0.19 0.13 0.62 -0.75 4.36 4.55 2ok5A1 GLN 47 HB2 0.13 -0.04 0.06 -0.04 2.15 2.27 2ok5A1 GLN 47 HB3 0.09 -0.03 0.16 -0.04 2.02 2.20 2ok5A1 GLN 47 HG2 0.10 0.15 0.07 -0.04 2.40 2.67 2ok5A1 GLN 47 HG3 0.14 -0.09 0.02 -0.04 2.39 2.41 2ok5A1 GLN 47 HE21 0.29 -0.01 0.12 -0.04 6.97 7.33 2ok5A1 GLN 47 HE22 0.28 -0.08 0.08 -0.04 7.69 7.94 2ok5A1 THR 48 H 0.05 0.08 0.09 -0.55 8.28 7.96 2ok5A1 THR 48 HA -0.09 0.23 1.09 -0.75 4.39 4.87 2ok5A1 THR 48 HB 0.01 0.08 0.17 -0.04 4.32 4.54 2ok5A1 THR 48 HG23 0.05 -0.02 -0.10 -0.04 1.22 1.10 2ok5A1 ARG 49 H -0.10 0.47 0.34 -0.55 8.46 8.62 2ok5A1 ARG 49 HA 0.06 0.14 0.66 -0.75 4.34 4.45 2ok5A1 ARG 49 HB2 -0.25 -0.06 -0.04 -0.04 1.90 1.51 2ok5A1 ARG 49 HB3 0.18 0.01 0.05 -0.04 1.80 1.99 2ok5A1 ARG 49 HG2 0.01 0.12 -0.11 -0.04 1.67 1.65 2ok5A1 ARG 49 HG3 -0.23 -0.08 -0.58 -0.04 1.67 0.73 2ok5A1 ARG 49 HD2 0.11 0.01 -0.16 -0.04 3.22 3.14 2ok5A1 ARG 49 HD3 -0.37 -0.05 -0.13 -0.04 3.22 2.62 2ok5A1 THR 50 H 0.16 0.15 0.21 -0.55 8.28 8.25 2ok5A1 THR 50 HA 0.20 0.27 1.11 -0.75 4.39 5.22 2ok5A1 THR 50 HB -0.00 0.17 0.13 -0.04 4.32 4.58 2ok5A1 THR 50 HG23 0.04 -0.01 -0.07 -0.04 1.22 1.14 2ok5A1 CYS 51 H -0.21 0.70 0.24 -0.55 8.50 8.69 2ok5A1 CYS 51 HA -0.94 0.01 0.60 -0.75 4.58 3.50 2ok5A1 CYS 51 HB2 -1.55 0.01 0.05 -0.04 2.97 1.44 2ok5A1 CYS 51 HB3 -0.47 0.05 0.24 -0.04 2.97 2.76 2ok5A1 ARG 52 H -0.31 0.54 0.23 -0.55 8.46 8.37 2ok5A1 ARG 52 HA -0.12 0.17 0.74 -0.75 4.34 4.37 2ok5A1 ARG 52 HB2 -0.10 0.03 0.07 -0.04 1.90 1.86 2ok5A1 ARG 52 HB3 -0.07 -0.13 0.12 -0.04 1.80 1.68 2ok5A1 ARG 52 HG2 -0.06 0.12 -0.09 -0.04 1.67 1.60 2ok5A1 ARG 52 HG3 -0.03 -0.04 -0.10 -0.04 1.67 1.47 2ok5A1 ARG 52 HD2 -0.05 -0.04 0.01 -0.04 3.22 3.10 2ok5A1 ARG 52 HD3 -0.05 0.06 -0.25 -0.04 3.22 2.94 2ok5A1 SER 53 H -0.08 0.16 0.14 -0.55 8.46 8.14 2ok5A1 SER 53 HA -0.09 0.17 0.30 -0.75 4.49 4.11 2ok5A1 SER 53 HB2 -0.05 0.02 0.14 -0.04 3.95 4.02 2ok5A1 SER 53 HB3 -0.06 0.04 0.12 -0.04 3.93 3.98 2ok5A1 THR 54 H -0.08 0.01 -0.54 -0.55 8.28 7.12 2ok5A1 THR 54 HA -0.05 0.16 0.56 -0.75 4.39 4.31 2ok5A1 THR 54 HB -0.03 0.04 0.08 -0.04 4.32 4.37 2ok5A1 THR 54 HG23 -0.03 -0.00 -0.02 -0.04 1.22 1.13 2ok5A1 GLY 55 H -0.13 0.46 -0.26 -0.55 8.43 7.95 2ok5A1 GLY 55 HA2 -0.14 0.13 0.28 -0.51 4.01 3.77 2ok5A1 GLY 55 HA3 -0.08 0.13 0.75 -0.51 4.01 4.30 2ok5A1 SER 56 H -0.09 -0.05 -0.34 -0.55 8.46 7.43 2ok5A1 SER 56 HA -0.02 0.20 0.83 -0.75 4.49 4.74 2ok5A1 SER 56 HB2 -0.02 -0.10 -0.03 -0.04 3.95 3.75 2ok5A1 SER 56 HB3 0.03 0.16 -0.00 -0.04 3.93 4.08 2ok5A1 TRP 57 H 0.26 0.17 0.11 -0.55 7.97 7.96 2ok5A1 TRP 57 HA -0.05 0.12 0.73 -0.75 4.62 4.67 2ok5A1 TRP 57 HB2 -0.06 0.02 0.01 -0.04 3.23 3.16 2ok5A1 TRP 57 HB3 -0.08 0.02 -0.04 -0.04 3.23 3.09 2ok5A1 TRP 57 HD1 -0.07 0.03 -0.01 -0.04 7.22 7.14 2ok5A1 TRP 57 HE1 -0.09 0.20 -0.37 -0.04 10.20 9.90 2ok5A1 TRP 57 HE3 -0.10 -0.06 -0.60 -0.04 7.59 6.78 2ok5A1 TRP 57 HZ2 -0.08 0.03 -0.09 -0.04 7.44 7.25 2ok5A1 TRP 57 HZ3 -0.09 -0.07 -0.50 -0.04 7.13 6.43 2ok5A1 TRP 57 HH2 -0.07 0.07 -0.33 -0.04 7.19 6.82 2ok5A1 SER 58 H 0.21 0.48 0.29 -0.55 8.46 8.90 2ok5A1 SER 58 HA 0.05 -0.05 0.35 -0.75 4.49 4.08 2ok5A1 SER 58 HB2 0.05 0.06 0.11 -0.04 3.95 4.12 2ok5A1 SER 58 HB3 0.05 0.01 0.18 -0.04 3.93 4.13 2ok5A1 THR 59 H 0.04 0.01 0.15 -0.55 8.28 7.93 2ok5A1 THR 59 HA 0.05 0.11 0.41 -0.75 4.39 4.20 2ok5A1 THR 59 HB 0.02 -0.01 0.10 -0.04 4.32 4.40 2ok5A1 THR 59 HG23 0.02 -0.02 -0.07 -0.04 1.22 1.11 2ok5A1 LEU 60 H 0.02 0.18 0.15 -0.55 8.37 8.18 2ok5A1 LEU 60 HA 0.01 0.13 0.72 -0.75 4.35 4.46 2ok5A1 LEU 60 HB2 -0.00 0.19 0.23 -0.04 1.64 2.02 2ok5A1 LEU 60 HB3 -0.04 -0.05 -0.00 -0.04 1.64 1.51 2ok5A1 LEU 60 HG 0.04 0.03 -0.01 -0.04 1.64 1.66 2ok5A1 LEU 60 HD13 -0.00 0.04 -0.16 -0.04 0.93 0.77 2ok5A1 LEU 60 HD23 0.07 0.01 -0.06 -0.04 0.89 0.87 2ok5A1 LYS 61 H -0.02 0.27 0.13 -0.55 8.42 8.24 2ok5A1 LYS 61 HA -0.02 0.21 0.92 -0.75 4.32 4.68 2ok5A1 LYS 61 HB2 -0.00 0.01 -0.01 -0.04 1.87 1.83 2ok5A1 LYS 61 HB3 -0.00 0.09 -0.07 -0.04 1.79 1.76 2ok5A1 LYS 61 HG2 0.00 -0.08 -0.59 -0.04 1.46 0.76 2ok5A1 LYS 61 HG3 0.01 -0.00 -0.16 -0.04 1.46 1.26 2ok5A1 LYS 61 HD2 0.01 -0.02 -0.33 -0.04 1.69 1.30 2ok5A1 LYS 61 HD3 0.00 0.03 -0.52 -0.04 1.68 1.16 2ok5A1 LYS 61 HE2 0.01 -0.05 -0.17 -0.04 2.99 2.74 2ok5A1 LYS 61 HE3 0.01 -0.01 -0.11 -0.04 2.99 2.83 2ok5A1 THR 62 H -0.03 0.42 0.15 -0.55 8.28 8.27 2ok5A1 THR 62 HA -0.09 0.22 0.72 -0.75 4.39 4.49 2ok5A1 THR 62 HB 0.04 -0.06 0.20 -0.04 4.32 4.46 2ok5A1 THR 62 HG23 -0.00 0.09 0.02 -0.04 1.22 1.30 2ok5A1 GLN 63 H 0.03 0.17 0.15 -0.55 8.47 8.28 2ok5A1 GLN 63 HA 0.02 0.15 0.44 -0.75 4.36 4.22 2ok5A1 GLN 63 HB2 0.05 0.03 0.18 -0.04 2.15 2.37 2ok5A1 GLN 63 HB3 0.04 -0.03 0.08 -0.04 2.02 2.07 2ok5A1 GLN 63 HG2 0.05 0.10 -0.07 -0.04 2.40 2.43 2ok5A1 GLN 63 HG3 0.03 -0.03 -0.07 -0.04 2.39 2.29 2ok5A1 GLN 63 HE21 0.02 0.04 0.02 -0.04 6.97 7.01 2ok5A1 GLN 63 HE22 0.03 -0.04 -0.02 -0.04 7.69 7.61 2ok5A1 ASP 64 H 0.04 0.08 -0.02 -0.55 8.40 7.96 2ok5A1 ASP 64 HA 0.03 0.11 0.33 -0.75 4.63 4.34 2ok5A1 ASP 64 HB2 0.03 -0.03 -0.08 -0.04 2.71 2.59 2ok5A1 ASP 64 HB3 0.03 0.05 0.08 -0.04 2.70 2.82 2ok5A1 GLN 65 H 0.02 0.08 -1.21 -0.55 8.47 6.81 2ok5A1 GLN 65 HA 0.01 0.14 0.15 -0.75 4.36 3.90 2ok5A1 GLN 65 HB2 0.01 0.06 -0.38 -0.04 2.15 1.80 2ok5A1 GLN 65 HB3 0.01 -0.03 0.27 -0.04 2.02 2.24 2ok5A1 GLN 65 HG2 0.01 -0.06 0.01 -0.04 2.40 2.32 2ok5A1 GLN 65 HG3 0.01 -0.05 -0.02 -0.04 2.39 2.29 2ok5A1 GLN 65 HE21 0.01 -0.02 -0.00 -0.04 6.97 6.92 2ok5A1 GLN 65 HE22 0.01 -0.06 -0.01 -0.04 7.69 7.59 2ok5A1 LYS 66 H 0.02 -0.05 -0.13 -0.55 8.42 7.70 2ok5A1 LYS 66 HA 0.02 0.15 0.74 -0.75 4.32 4.48 2ok5A1 LYS 66 HB2 0.04 -0.01 -0.01 -0.04 1.87 1.84 2ok5A1 LYS 66 HB3 0.03 0.07 0.03 -0.04 1.79 1.87 2ok5A1 LYS 66 HG2 0.03 0.11 -0.16 -0.04 1.46 1.39 2ok5A1 LYS 66 HG3 0.03 -0.20 -0.19 -0.04 1.46 1.06 2ok5A1 LYS 66 HD2 0.05 -0.07 -0.03 -0.04 1.69 1.60 2ok5A1 LYS 66 HD3 0.05 0.03 -0.02 -0.04 1.68 1.70 2ok5A1 LYS 66 HE2 0.04 0.01 -0.02 -0.04 2.99 2.98 2ok5A1 LYS 66 HE3 0.03 0.04 -0.03 -0.04 2.99 2.99 2ok5A1 THR 67 H 0.01 0.12 0.09 -0.55 8.28 7.96 2ok5A1 THR 67 HA 0.00 0.25 0.56 -0.75 4.39 4.44 2ok5A1 THR 67 HB 0.01 -0.06 0.12 -0.04 4.32 4.35 2ok5A1 THR 67 HG23 0.01 0.01 -0.23 -0.04 1.22 0.97 2ok5A1 VAL 68 H -0.01 0.69 0.30 -0.55 8.24 8.67 2ok5A1 VAL 68 HA 0.03 0.07 0.79 -0.75 4.13 4.27 2ok5A1 VAL 68 HB -0.04 0.01 -0.03 -0.04 2.12 2.02 2ok5A1 VAL 68 HG13 0.06 -0.03 -0.15 -0.04 0.97 0.81 2ok5A1 VAL 68 HG23 -0.05 0.02 -0.14 -0.04 0.95 0.74 2ok5A1 ARG 69 H 0.02 0.13 0.10 -0.55 8.46 8.16 2ok5A1 ARG 69 HA 0.01 0.08 0.40 -0.75 4.34 4.08 2ok5A1 ARG 69 HB2 0.01 -0.01 0.11 -0.04 1.90 1.97 2ok5A1 ARG 69 HB3 0.01 0.01 0.04 -0.04 1.80 1.82 2ok5A1 ARG 69 HG2 0.01 0.01 -0.01 -0.04 1.67 1.64 2ok5A1 ARG 69 HG3 0.02 0.00 0.03 -0.04 1.67 1.68 2ok5A1 ARG 69 HD2 0.01 0.00 0.02 -0.04 3.22 3.22 2ok5A1 ARG 69 HD3 0.01 -0.00 0.01 -0.04 3.22 3.20 2ok5A1 LYS 70 H 0.02 0.09 -0.07 -0.55 8.42 7.90 2ok5A1 LYS 70 HA -0.01 0.21 0.89 -0.75 4.32 4.64 2ok5A1 LYS 70 HB2 -0.01 0.03 -0.12 -0.04 1.87 1.73 2ok5A1 LYS 70 HB3 -0.00 -0.10 0.01 -0.04 1.79 1.65 2ok5A1 LYS 70 HG2 -0.02 -0.09 -0.06 -0.04 1.46 1.25 2ok5A1 LYS 70 HG3 -0.04 0.09 -0.34 -0.04 1.46 1.13 2ok5A1 LYS 70 HD2 -0.06 0.13 0.12 -0.04 1.69 1.85 2ok5A1 LYS 70 HD3 -0.02 -0.02 0.04 -0.04 1.68 1.64 2ok5A1 LYS 70 HE2 -0.03 -0.09 -0.04 -0.04 2.99 2.79 2ok5A1 LYS 70 HE3 -0.05 -0.07 0.01 -0.04 2.99 2.84 2ok5A1 ALA 71 H -0.06 0.22 0.14 -0.55 8.40 8.15 2ok5A1 ALA 71 HA -0.07 0.19 0.74 -0.75 4.34 4.44 2ok5A1 ALA 71 HB3 -0.31 0.03 0.07 -0.04 1.41 1.15 2ok5A1 GLU 72 H -0.06 0.66 0.37 -0.55 8.60 9.02 2ok5A1 GLU 72 HA -0.12 0.06 0.91 -0.75 4.29 4.38 2ok5A1 GLU 72 HB2 -0.04 -0.05 -0.00 -0.04 2.09 1.96 2ok5A1 GLU 72 HB3 -0.09 0.10 -0.08 -0.04 1.99 1.88 2ok5A1 GLU 72 HG2 -0.06 -0.00 -0.07 -0.04 2.34 2.17 2ok5A1 GLU 72 HG3 -0.02 0.09 -0.43 -0.04 2.34 1.95 2ok5A1 CYS 73 H -0.14 0.65 0.15 -0.55 8.50 8.62 2ok5A1 CYS 73 HA -0.19 0.22 0.77 -0.75 4.58 4.62 2ok5A1 CYS 73 HB2 -0.17 0.08 0.08 -0.04 2.97 2.92 2ok5A1 CYS 73 HB3 -0.08 -0.02 -0.12 -0.04 2.97 2.72 2ok5A1 ARG 74 H -0.43 0.61 0.28 -0.55 8.46 8.37 2ok5A1 ARG 74 HA -0.04 0.13 0.81 -0.75 4.34 4.49 2ok5A1 ARG 74 HB2 -0.69 0.03 0.00 -0.04 1.90 1.21 2ok5A1 ARG 74 HB3 -0.28 0.05 -0.02 -0.04 1.80 1.51 2ok5A1 ARG 74 HG2 -0.22 0.01 -0.13 -0.04 1.67 1.29 2ok5A1 ARG 74 HG3 -0.28 0.04 -0.22 -0.04 1.67 1.17 2ok5A1 ARG 74 HD2 -0.72 -0.02 -0.04 -0.04 3.22 2.40 2ok5A1 ARG 74 HD3 -0.40 0.01 -0.04 -0.04 3.22 2.75 2ok5A1 ALA 75 H -0.15 0.08 0.14 -0.55 8.40 7.92 2ok5A1 ALA 75 HA -0.95 0.20 0.57 -0.75 4.34 3.40 2ok5A1 ALA 75 HB3 -0.30 -0.00 0.13 -0.04 1.41 1.20 2ok5A1 ILE 76 H -0.39 0.58 0.25 -0.55 8.25 8.14 2ok5A1 ILE 76 HA -0.35 0.03 0.55 -0.75 4.18 3.66 2ok5A1 ILE 76 HB -0.20 0.01 0.01 -0.04 1.89 1.67 2ok5A1 ILE 76 HG12 -0.89 -0.02 -0.15 -0.04 1.49 0.39 2ok5A1 ILE 76 HG13 -0.25 -0.04 -0.38 -0.04 1.21 0.50 2ok5A1 ILE 76 HG23 -0.09 -0.02 -0.32 -0.04 0.93 0.47 2ok5A1 ILE 76 HD13 -0.07 -0.03 -0.14 -0.04 0.88 0.61 2ok5A1 HIS 77 H -0.23 0.18 0.15 -0.55 8.41 7.97 2ok5A1 HIS 77 HA -0.05 0.33 0.83 -0.75 4.63 4.98 2ok5A1 HIS 77 HB2 -0.08 -0.06 0.00 -0.04 3.26 3.08 2ok5A1 HIS 77 HB3 0.08 -0.03 -0.02 -0.04 3.20 3.19 2ok5A1 HIS 77 HD2 -0.08 0.16 -0.19 -0.04 6.97 6.81 2ok5A1 HIS 77 HE1 -0.75 -0.05 -0.10 -0.04 7.75 6.81 2ok5A1 CYS 78 H 0.00 0.39 0.09 -0.55 8.50 8.44 2ok5A1 CYS 78 HA -0.07 0.30 0.76 -0.75 4.58 4.82 2ok5A1 CYS 78 HB2 -0.75 -0.05 -0.07 -0.04 2.97 2.06 2ok5A1 CYS 78 HB3 -1.17 0.08 -0.15 -0.04 2.97 1.69 2ok5A1 PRO 79 HA 0.28 0.01 0.36 -0.51 4.44 4.58 2ok5A1 PRO 79 HB2 0.21 0.10 -0.08 -0.04 2.28 2.47 2ok5A1 PRO 79 HB3 0.16 -0.01 0.09 -0.04 2.02 2.22 2ok5A1 PRO 79 HG2 0.34 -0.01 -0.14 -0.04 2.03 2.18 2ok5A1 PRO 79 HG3 0.15 0.06 0.06 -0.04 2.03 2.26 2ok5A1 PRO 79 HD2 0.16 0.05 0.18 -0.04 3.68 4.02 2ok5A1 PRO 79 HD3 0.11 0.21 0.23 -0.04 3.65 4.16 2ok5A1 ARG 80 H 0.30 0.13 0.16 -0.55 8.46 8.49 2ok5A1 ARG 80 HA 0.43 0.10 0.56 -0.75 4.34 4.68 2ok5A1 ARG 80 HB2 0.29 0.09 -0.05 -0.04 1.90 2.18 2ok5A1 ARG 80 HB3 0.21 -0.06 0.12 -0.04 1.80 2.03 2ok5A1 ARG 80 HG2 0.19 0.21 -0.31 -0.04 1.67 1.72 2ok5A1 ARG 80 HG3 0.34 -0.06 0.00 -0.04 1.67 1.91 2ok5A1 ARG 80 HD2 0.15 -0.08 -0.07 -0.04 3.22 3.18 2ok5A1 ARG 80 HD3 0.12 0.20 0.01 -0.04 3.22 3.50 2ok5A1 PRO 81 HA -0.03 -0.10 0.58 -0.51 4.44 4.39 2ok5A1 PRO 81 HB2 -0.31 -0.02 -0.14 -0.04 2.28 1.76 2ok5A1 PRO 81 HB3 -0.22 0.11 0.01 -0.04 2.02 1.87 2ok5A1 PRO 81 HG2 -1.86 0.01 -0.01 -0.04 2.03 0.12 2ok5A1 PRO 81 HG3 -0.59 0.04 0.02 -0.04 2.03 1.46 2ok5A1 PRO 81 HD2 -0.15 0.08 0.15 -0.04 3.68 3.72 2ok5A1 PRO 81 HD3 -0.35 0.22 0.11 -0.04 3.65 3.59 2ok5A1 HIS 82 H 0.16 0.13 0.17 -0.55 8.41 8.32 2ok5A1 HIS 82 HA 0.08 0.10 0.54 -0.75 4.63 4.60 2ok5A1 HIS 82 HB2 0.07 0.02 0.00 -0.04 3.26 3.31 2ok5A1 HIS 82 HB3 0.06 0.15 0.12 -0.04 3.20 3.49 2ok5A1 HIS 82 HD2 0.06 -0.00 -0.01 -0.04 6.97 6.97 2ok5A1 HIS 82 HE1 0.03 -0.03 -0.05 -0.04 7.75 7.66 2ok5A1 ASP 83 H 0.15 0.26 -0.01 -0.55 8.40 8.25 2ok5A1 ASP 83 HA 0.11 0.11 0.44 -0.75 4.63 4.54 2ok5A1 ASP 83 HB2 0.18 0.09 -0.31 -0.04 2.71 2.62 2ok5A1 ASP 83 HB3 0.17 -0.03 -0.10 -0.04 2.70 2.70 2ok5A1 PHE 84 H 0.20 0.25 0.01 -0.55 8.34 8.26 2ok5A1 PHE 84 HA -0.01 0.11 0.57 -0.75 4.62 4.54 2ok5A1 PHE 84 HB2 0.11 0.05 -0.16 -0.04 3.15 3.11 2ok5A1 PHE 84 HB3 0.18 -0.00 -0.03 -0.04 3.06 3.16 2ok5A1 PHE 84 HD2 -0.02 0.01 -0.38 -0.04 7.28 6.85 2ok5A1 PHE 84 HE2 -0.14 0.15 -0.32 -0.04 7.38 7.03 2ok5A1 PHE 84 HZ -0.08 -0.05 -0.41 -0.04 7.32 6.75 2ok5A1 GLU 85 H -0.30 0.15 0.02 -0.55 8.60 7.93 2ok5A1 GLU 85 HA -0.18 0.07 0.54 -0.75 4.29 3.96 2ok5A1 GLU 85 HB2 -0.21 0.00 0.08 -0.04 2.09 1.92 2ok5A1 GLU 85 HB3 -0.16 0.03 0.00 -0.04 1.99 1.82 2ok5A1 GLU 85 HG2 -0.03 0.00 -0.01 -0.04 2.34 2.25 2ok5A1 GLU 85 HG3 -0.04 -0.01 -0.07 -0.04 2.34 2.18 2ok5A1 ASN 86 H -0.27 0.14 0.21 -0.55 8.53 8.07 2ok5A1 ASN 86 HA -0.43 0.01 0.33 -0.75 4.76 3.91 2ok5A1 ASN 86 HB2 -0.65 0.20 -0.12 -0.04 2.88 2.27 2ok5A1 ASN 86 HB3 -1.81 -0.04 0.06 -0.04 2.79 0.96 2ok5A1 ASN 86 HD21 -0.03 -0.06 -0.02 -0.04 7.03 6.88 2ok5A1 ASN 86 HD22 -0.22 0.47 -0.02 -0.04 7.74 7.93 2ok5A1 GLY 87 H -0.65 0.33 -0.31 -0.55 8.43 7.25 2ok5A1 GLY 87 HA2 -0.95 -0.04 0.35 -0.51 4.01 2.86 2ok5A1 GLY 87 HA3 -0.19 0.15 0.37 -0.51 4.01 3.83 2ok5A1 GLU 88 H 0.27 0.67 0.31 -0.55 8.60 9.30 2ok5A1 GLU 88 HA 0.32 0.12 0.80 -0.75 4.29 4.78 2ok5A1 GLU 88 HB2 0.36 -0.05 -0.17 -0.04 2.09 2.19 2ok5A1 GLU 88 HB3 0.59 -0.01 -0.02 -0.04 1.99 2.51 2ok5A1 GLU 88 HG2 0.22 -0.07 -0.02 -0.04 2.34 2.43 2ok5A1 GLU 88 HG3 0.43 0.16 -0.04 -0.04 2.34 2.84 2ok5A1 TYR 89 H 0.04 0.19 0.20 -0.55 8.29 8.18 2ok5A1 TYR 89 HA -0.67 0.33 1.01 -0.75 4.56 4.48 2ok5A1 TYR 89 HB2 -1.56 0.09 0.07 -0.04 3.06 1.63 2ok5A1 TYR 89 HB3 -1.20 -0.07 -0.04 -0.04 2.98 1.62 2ok5A1 TYR 89 HD2 -0.28 -0.01 -0.11 -0.04 7.15 6.71 2ok5A1 TYR 89 HE2 0.04 0.01 -0.06 -0.04 6.85 6.80 2ok5A1 TRP 90 H -0.57 0.56 0.35 -0.55 7.97 7.77 2ok5A1 TRP 90 HA -0.28 0.02 0.07 -0.75 4.62 3.68 2ok5A1 TRP 90 HB2 -0.12 -0.07 0.14 -0.04 3.23 3.14 2ok5A1 TRP 90 HB3 -0.19 0.14 0.06 -0.04 3.23 3.20 2ok5A1 TRP 90 HD1 -0.05 0.03 -0.22 -0.04 7.22 6.95 2ok5A1 TRP 90 HE1 -0.09 -0.01 -0.09 -0.04 10.20 9.97 2ok5A1 TRP 90 HE3 -0.09 0.07 -0.48 -0.04 7.59 7.04 2ok5A1 TRP 90 HZ2 -0.63 -0.02 -0.09 -0.04 7.44 6.66 2ok5A1 TRP 90 HZ3 -0.01 -0.03 -0.17 -0.04 7.13 6.89 2ok5A1 TRP 90 HH2 -0.45 -0.02 -0.10 -0.04 7.19 6.58 2ok5A1 PRO 91 HA 0.18 0.02 0.40 -0.51 4.44 4.52 2ok5A1 PRO 91 HB2 0.12 0.04 -0.10 -0.04 2.28 2.31 2ok5A1 PRO 91 HB3 0.10 0.01 0.11 -0.04 2.02 2.20 2ok5A1 PRO 91 HG2 0.22 0.05 0.12 -0.04 2.03 2.37 2ok5A1 PRO 91 HG3 0.13 0.01 0.13 -0.04 2.03 2.26 2ok5A1 PRO 91 HD2 0.10 0.35 0.72 -0.04 3.68 4.80 2ok5A1 PRO 91 HD3 0.19 0.04 0.12 -0.04 3.65 3.96 2ok5A1 ARG 92 H 0.00 0.15 0.12 -0.55 8.46 8.18 2ok5A1 ARG 92 HA 0.14 0.18 0.88 -0.75 4.34 4.79 2ok5A1 ARG 92 HB2 -0.10 -0.06 0.17 -0.04 1.90 1.88 2ok5A1 ARG 92 HB3 -0.07 0.05 -0.01 -0.04 1.80 1.74 2ok5A1 ARG 92 HG2 -1.18 0.04 -0.10 -0.04 1.67 0.40 2ok5A1 ARG 92 HG3 -0.40 -0.01 -0.08 -0.04 1.67 1.14 2ok5A1 ARG 92 HD2 -0.23 0.01 0.00 -0.04 3.22 2.95 2ok5A1 ARG 92 HD3 -0.49 0.03 0.07 -0.04 3.22 2.79 2ok5A1 SER 93 H 0.09 0.26 0.07 -0.55 8.46 8.34 2ok5A1 SER 93 HA -0.19 0.17 0.83 -0.75 4.49 4.54 2ok5A1 SER 93 HB2 -1.14 0.07 -0.07 -0.04 3.95 2.78 2ok5A1 SER 93 HB3 -0.55 0.02 0.11 -0.04 3.93 3.47 2ok5A1 PRO 94 HA -0.03 0.07 0.48 -0.51 4.44 4.44 2ok5A1 PRO 94 HB2 -0.20 0.02 0.03 -0.04 2.28 2.09 2ok5A1 PRO 94 HB3 0.01 0.00 0.09 -0.04 2.02 2.08 2ok5A1 PRO 94 HG2 -0.17 0.02 0.09 -0.04 2.03 1.93 2ok5A1 PRO 94 HG3 -0.09 0.03 0.08 -0.04 2.03 2.01 2ok5A1 PRO 94 HD2 -0.43 0.12 0.22 -0.04 3.68 3.55 2ok5A1 PRO 94 HD3 -0.19 0.14 0.22 -0.04 3.65 3.77 2ok5A1 TYR 95 H -0.74 0.28 -0.14 -0.55 8.29 7.13 2ok5A1 TYR 95 HA 0.03 0.14 0.48 -0.75 4.56 4.46 2ok5A1 TYR 95 HB2 -0.13 0.03 -0.02 -0.04 3.06 2.90 2ok5A1 TYR 95 HB3 -0.04 0.06 -0.22 -0.04 2.98 2.74 2ok5A1 TYR 95 HD2 -0.39 0.02 -0.47 -0.04 7.15 6.27 2ok5A1 TYR 95 HE2 -0.22 -0.01 -0.12 -0.04 6.85 6.46 2ok5A1 TYR 96 H 0.32 0.42 0.12 -0.55 8.29 8.61 2ok5A1 TYR 96 HA 0.03 0.11 0.92 -0.75 4.56 4.87 2ok5A1 TYR 96 HB2 0.05 0.01 -0.02 -0.04 3.06 3.06 2ok5A1 TYR 96 HB3 0.06 0.03 -0.04 -0.04 2.98 2.99 2ok5A1 TYR 96 HD2 0.31 0.04 -0.23 -0.04 7.15 7.24 2ok5A1 TYR 96 HE2 0.18 0.04 -0.11 -0.04 6.85 6.91 2ok5A1 ASN 97 H 0.10 0.12 0.11 -0.55 8.53 8.32 2ok5A1 ASN 97 HA 0.16 0.25 0.76 -0.75 4.76 5.17 2ok5A1 ASN 97 HB2 0.06 -0.04 0.05 -0.04 2.88 2.91 2ok5A1 ASN 97 HB3 0.03 0.11 0.04 -0.04 2.79 2.93 2ok5A1 ASN 97 HD21 0.10 -0.01 -0.02 -0.04 7.03 7.06 2ok5A1 ASN 97 HD22 0.05 0.02 -0.00 -0.04 7.74 7.77 2ok5A1 VAL 98 H -0.04 0.25 0.12 -0.55 8.24 8.02 2ok5A1 VAL 98 HA -0.12 0.04 0.26 -0.75 4.13 3.55 2ok5A1 VAL 98 HB -0.08 -0.00 0.10 -0.04 2.12 2.10 2ok5A1 VAL 98 HG13 -0.06 -0.02 -0.19 -0.04 0.97 0.65 2ok5A1 VAL 98 HG23 -0.12 0.07 -0.02 -0.04 0.95 0.84 2ok5A1 SER 99 H -0.10 0.77 0.32 -0.55 8.46 8.91 2ok5A1 SER 99 HA -0.03 0.02 0.34 -0.75 4.49 4.07 2ok5A1 SER 99 HB2 -0.00 -0.06 0.12 -0.04 3.95 3.96 2ok5A1 SER 99 HB3 -0.02 -0.08 -0.22 -0.04 3.93 3.57 2ok5A1 ASP 100 H -0.00 0.54 -0.18 -0.55 8.40 8.20 2ok5A1 ASP 100 HA 0.10 0.06 0.67 -0.75 4.63 4.70 2ok5A1 ASP 100 HB2 0.17 0.06 0.10 -0.04 2.71 2.99 2ok5A1 ASP 100 HB3 0.35 0.04 -0.01 -0.04 2.70 3.04 2ok5A1 GLU 101 H 0.13 0.18 0.24 -0.55 8.60 8.60 2ok5A1 GLU 101 HA 0.19 0.31 1.15 -0.75 4.29 5.18 2ok5A1 GLU 101 HB2 0.07 -0.06 0.12 -0.04 2.09 2.17 2ok5A1 GLU 101 HB3 0.05 0.05 0.03 -0.04 1.99 2.08 2ok5A1 GLU 101 HG2 0.06 -0.03 -0.14 -0.04 2.34 2.20 2ok5A1 GLU 101 HG3 0.06 0.11 -0.23 -0.04 2.34 2.24 2ok5A1 ILE 102 H 0.03 0.62 0.39 -0.55 8.25 8.74 2ok5A1 ILE 102 HA -0.13 0.29 0.89 -0.75 4.18 4.48 2ok5A1 ILE 102 HB -0.48 -0.02 0.05 -0.04 1.89 1.40 2ok5A1 ILE 102 HG12 -0.64 0.01 -0.03 -0.04 1.49 0.79 2ok5A1 ILE 102 HG13 -0.59 -0.03 -0.20 -0.04 1.21 0.35 2ok5A1 ILE 102 HG23 -0.29 -0.00 -0.24 -0.04 0.93 0.35 2ok5A1 ILE 102 HD13 -1.36 -0.01 -0.11 -0.04 0.88 -0.63 2ok5A1 SER 103 H -0.51 0.53 0.42 -0.55 8.46 8.35 2ok5A1 SER 103 HA -0.33 0.35 0.99 -0.75 4.49 4.75 2ok5A1 SER 103 HB2 -0.38 0.03 0.12 -0.04 3.95 3.68 2ok5A1 SER 103 HB3 -0.20 -0.04 -0.03 -0.04 3.93 3.62 2ok5A1 PHE 104 H -0.41 0.65 0.42 -0.55 8.34 8.45 2ok5A1 PHE 104 HA -0.53 0.17 1.00 -0.75 4.62 4.50 2ok5A1 PHE 104 HB2 -0.43 0.06 0.11 -0.04 3.15 2.84 2ok5A1 PHE 104 HB3 -0.58 -0.05 -0.10 -0.04 3.06 2.29 2ok5A1 PHE 104 HD2 -1.44 0.08 -0.15 -0.04 7.28 5.73 2ok5A1 PHE 104 HE2 -0.83 -0.01 -0.12 -0.04 7.38 6.38 2ok5A1 PHE 104 HZ -0.90 -0.00 -0.07 -0.04 7.32 6.31 2ok5A1 HIS 105 H 0.07 0.59 0.29 -0.55 8.41 8.81 2ok5A1 HIS 105 HA 0.03 0.07 0.85 -0.75 4.63 4.82 2ok5A1 HIS 105 HB2 0.06 -0.02 0.03 -0.04 3.26 3.29 2ok5A1 HIS 105 HB3 0.14 0.02 0.01 -0.04 3.20 3.33 2ok5A1 HIS 105 HD2 -1.61 0.12 -0.31 -0.04 6.97 5.13 2ok5A1 HIS 105 HE1 -0.12 -0.03 -0.09 -0.04 7.75 7.47 2ok5A1 CYS 106 H 0.16 0.11 0.12 -0.55 8.50 8.34 2ok5A1 CYS 106 HA 0.01 0.16 0.75 -0.75 4.58 4.74 2ok5A1 CYS 106 HB2 0.14 0.00 -0.01 -0.04 2.97 3.06 2ok5A1 CYS 106 HB3 0.16 0.09 -0.04 -0.04 2.97 3.14 2ok5A1 TYR 107 H -0.06 0.71 0.30 -0.55 8.29 8.69 2ok5A1 TYR 107 HA 0.14 0.05 0.65 -0.75 4.56 4.65 2ok5A1 TYR 107 HB2 0.11 0.04 -0.02 -0.04 3.06 3.14 2ok5A1 TYR 107 HB3 0.15 0.01 0.03 -0.04 2.98 3.14 2ok5A1 TYR 107 HD2 0.03 0.01 -0.10 -0.04 7.15 7.06 2ok5A1 TYR 107 HE2 0.06 -0.01 -0.09 -0.04 6.85 6.76 2ok5A1 ASP 108 H 0.23 0.09 0.12 -0.55 8.40 8.29 2ok5A1 ASP 108 HA 0.14 0.04 0.50 -0.75 4.63 4.56 2ok5A1 ASP 108 HB2 0.09 -0.02 0.13 -0.04 2.71 2.87 2ok5A1 ASP 108 HB3 0.07 0.02 0.00 -0.04 2.70 2.76 2ok5A1 GLY 109 H 0.07 0.16 0.20 -0.55 8.43 8.32 2ok5A1 GLY 109 HA2 -0.07 -0.01 0.33 -0.51 4.01 3.74 2ok5A1 GLY 109 HA3 -0.14 0.13 0.70 -0.51 4.01 4.19 2ok5A1 TYR 110 H 0.20 0.43 -0.01 -0.55 8.29 8.36 2ok5A1 TYR 110 HA 0.03 0.17 0.74 -0.75 4.56 4.75 2ok5A1 TYR 110 HB2 0.05 0.14 -0.01 -0.04 3.06 3.20 2ok5A1 TYR 110 HB3 0.00 -0.12 -0.19 -0.04 2.98 2.63 2ok5A1 TYR 110 HD2 0.08 -0.02 -0.40 -0.04 7.15 6.77 2ok5A1 TYR 110 HE2 0.09 -0.04 -0.06 -0.04 6.85 6.80 2ok5A1 THR 111 H 0.13 0.65 0.32 -0.55 8.28 8.82 2ok5A1 THR 111 HA 0.08 0.13 1.00 -0.75 4.39 4.84 2ok5A1 THR 111 HB 0.04 0.02 0.12 -0.04 4.32 4.46 2ok5A1 THR 111 HG23 0.03 0.03 -0.05 -0.04 1.22 1.19 2ok5A1 LEU 112 H 0.05 0.11 0.18 -0.55 8.37 8.16 2ok5A1 LEU 112 HA 0.04 0.27 0.70 -0.75 4.35 4.60 2ok5A1 LEU 112 HB2 0.05 -0.09 0.06 -0.04 1.64 1.61 2ok5A1 LEU 112 HB3 0.02 -0.03 0.12 -0.04 1.64 1.71 2ok5A1 LEU 112 HG -0.02 0.14 -0.30 -0.04 1.64 1.42 2ok5A1 LEU 112 HD13 0.06 -0.01 -0.27 -0.04 0.93 0.67 2ok5A1 LEU 112 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.72 2ok5A1 ARG 113 H -0.01 0.62 0.41 -0.55 8.46 8.93 2ok5A1 ARG 113 HA -0.02 0.15 0.61 -0.75 4.34 4.33 2ok5A1 ARG 113 HB2 -0.01 -0.01 0.16 -0.04 1.90 1.99 2ok5A1 ARG 113 HB3 -0.01 0.01 0.01 -0.04 1.80 1.77 2ok5A1 ARG 113 HG2 -0.04 -0.04 -0.10 -0.04 1.67 1.45 2ok5A1 ARG 113 HG3 -0.04 0.00 -0.13 -0.04 1.67 1.47 2ok5A1 ARG 113 HD2 -0.02 0.03 -0.07 -0.04 3.22 3.12 2ok5A1 ARG 113 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.15 2ok5A1 GLY 114 H -0.04 0.08 0.11 -0.55 8.43 8.04 2ok5A1 GLY 114 HA2 -0.06 -0.02 0.24 -0.51 4.01 3.65 2ok5A1 GLY 114 HA3 -0.10 0.40 0.46 -0.51 4.01 4.26 2ok5A1 SER 115 H -0.14 0.50 -0.12 -0.55 8.46 8.16 2ok5A1 SER 115 HA -0.06 0.04 0.65 -0.75 4.49 4.36 2ok5A1 SER 115 HB2 -0.11 0.26 0.19 -0.04 3.95 4.25 2ok5A1 SER 115 HB3 -0.05 0.19 -0.01 -0.04 3.93 4.03 2ok5A1 ALA 116 H -0.07 0.18 0.17 -0.55 8.40 8.14 2ok5A1 ALA 116 HA -0.11 0.07 0.53 -0.75 4.34 4.08 2ok5A1 ALA 116 HB3 -0.11 0.00 0.12 -0.04 1.41 1.39 2ok5A1 ASN 117 H -0.05 0.08 -0.02 -0.55 8.53 7.99 2ok5A1 ASN 117 HA -0.09 0.32 1.06 -0.75 4.76 5.30 2ok5A1 ASN 117 HB2 -0.02 -0.06 0.08 -0.04 2.88 2.84 2ok5A1 ASN 117 HB3 -0.02 0.06 0.01 -0.04 2.79 2.80 2ok5A1 ASN 117 HD21 -0.01 -0.01 -0.03 -0.04 7.03 6.94 2ok5A1 ASN 117 HD22 -0.01 -0.00 -0.01 -0.04 7.74 7.68 2ok5A1 ARG 118 H -0.02 0.70 0.31 -0.55 8.46 8.90 2ok5A1 ARG 118 HA 0.10 0.12 0.83 -0.75 4.34 4.63 2ok5A1 ARG 118 HB2 -0.06 -0.06 -0.05 -0.04 1.90 1.69 2ok5A1 ARG 118 HB3 0.23 0.01 0.01 -0.04 1.80 2.01 2ok5A1 ARG 118 HG2 -0.01 0.09 -0.24 -0.04 1.67 1.47 2ok5A1 ARG 118 HG3 0.00 -0.02 -0.56 -0.04 1.67 1.06 2ok5A1 ARG 118 HD2 -0.31 0.03 -0.06 -0.04 3.22 2.84 2ok5A1 ARG 118 HD3 -0.25 -0.11 -0.12 -0.04 3.22 2.71 2ok5A1 THR 119 H 0.20 0.13 0.20 -0.55 8.28 8.27 2ok5A1 THR 119 HA 0.19 0.38 0.96 -0.75 4.39 5.16 2ok5A1 THR 119 HB 0.05 -0.09 0.04 -0.04 4.32 4.28 2ok5A1 THR 119 HG23 0.00 0.05 -0.19 -0.04 1.22 1.03 2ok5A1 CYS 120 H -0.17 0.79 0.21 -0.55 8.50 8.78 2ok5A1 CYS 120 HA -0.88 0.08 0.55 -0.75 4.58 3.57 2ok5A1 CYS 120 HB2 -1.16 0.03 -0.03 -0.04 2.97 1.78 2ok5A1 CYS 120 HB3 -0.31 -0.03 0.18 -0.04 2.97 2.77 2ok5A1 GLN 121 H -0.26 0.60 0.26 -0.55 8.47 8.53 2ok5A1 GLN 121 HA -0.08 0.14 0.68 -0.75 4.36 4.34 2ok5A1 GLN 121 HB2 -0.07 0.10 0.12 -0.04 2.15 2.25 2ok5A1 GLN 121 HB3 -0.04 -0.16 0.13 -0.04 2.02 1.91 2ok5A1 GLN 121 HG2 -0.03 -0.02 -0.02 -0.04 2.40 2.29 2ok5A1 GLN 121 HG3 -0.05 0.18 0.02 -0.04 2.39 2.50 2ok5A1 GLN 121 HE21 0.00 0.03 0.01 -0.04 6.97 6.97 2ok5A1 GLN 121 HE22 -0.00 -0.00 0.01 -0.04 7.69 7.65 2ok5A1 VAL 122 H -0.04 0.19 0.17 -0.55 8.24 8.02 2ok5A1 VAL 122 HA -0.05 0.12 0.33 -0.75 4.13 3.78 2ok5A1 VAL 122 HB -0.03 0.04 0.15 -0.04 2.12 2.24 2ok5A1 VAL 122 HG13 0.01 0.00 -0.02 -0.04 0.97 0.92 2ok5A1 VAL 122 HG23 -0.01 0.00 0.03 -0.04 0.95 0.94 2ok5A1 ASN 123 H -0.01 0.01 -0.35 -0.55 8.53 7.64 2ok5A1 ASN 123 HA 0.11 0.23 0.77 -0.75 4.76 5.11 2ok5A1 ASN 123 HB2 0.06 0.08 0.17 -0.04 2.88 3.16 2ok5A1 ASN 123 HB3 0.05 -0.04 0.05 -0.04 2.79 2.81 2ok5A1 ASN 123 HD21 0.00 0.05 -0.03 -0.04 7.03 7.01 2ok5A1 ASN 123 HD22 0.02 0.02 0.04 -0.04 7.74 7.78 2ok5A1 GLY 124 H -0.03 0.49 -0.36 -0.55 8.43 7.99 2ok5A1 GLY 124 HA2 -0.04 0.04 0.07 -0.51 4.01 3.56 2ok5A1 GLY 124 HA3 0.18 0.09 0.40 -0.51 4.01 4.17 2ok5A1 ARG 125 H -0.07 -0.04 -0.32 -0.55 8.46 7.48 2ok5A1 ARG 125 HA -0.04 0.22 0.88 -0.75 4.34 4.65 2ok5A1 ARG 125 HB2 -0.02 -0.14 -0.05 -0.04 1.90 1.65 2ok5A1 ARG 125 HB3 0.01 0.19 -0.10 -0.04 1.80 1.86 2ok5A1 ARG 125 HG2 -0.01 0.01 -0.03 -0.04 1.67 1.60 2ok5A1 ARG 125 HG3 -0.01 0.07 0.02 -0.04 1.67 1.71 2ok5A1 ARG 125 HD2 -0.06 0.08 -0.22 -0.04 3.22 2.97 2ok5A1 ARG 125 HD3 -0.02 -0.08 -0.14 -0.04 3.22 2.94 2ok5A1 TRP 126 H 0.21 0.18 0.11 -0.55 7.97 7.92 2ok5A1 TRP 126 HA -0.03 0.14 0.74 -0.75 4.62 4.72 2ok5A1 TRP 126 HB2 -0.06 -0.02 0.04 -0.04 3.23 3.15 2ok5A1 TRP 126 HB3 -0.06 0.07 -0.07 -0.04 3.23 3.14 2ok5A1 TRP 126 HD1 -0.03 0.01 0.00 -0.04 7.22 7.15 2ok5A1 TRP 126 HE1 -0.01 0.54 -0.13 -0.04 10.20 10.56 2ok5A1 TRP 126 HE3 -0.08 -0.08 -0.57 -0.04 7.59 6.82 2ok5A1 TRP 126 HZ2 -0.36 0.08 -0.27 -0.04 7.44 6.84 2ok5A1 TRP 126 HZ3 -0.20 0.11 -0.24 -0.04 7.13 6.77 2ok5A1 TRP 126 HH2 -0.99 -0.02 -0.25 -0.04 7.19 5.89 2ok5A1 SER 127 H 0.18 0.40 0.29 -0.55 8.46 8.79 2ok5A1 SER 127 HA 0.05 0.08 0.55 -0.75 4.49 4.41 2ok5A1 SER 127 HB2 0.03 0.02 0.15 -0.04 3.95 4.10 2ok5A1 SER 127 HB3 0.04 0.03 0.16 -0.04 3.93 4.12 2ok5A1 GLY 128 H 0.02 0.10 0.18 -0.55 8.43 8.19 2ok5A1 GLY 128 HA2 -0.00 0.03 0.33 -0.51 4.01 3.85 2ok5A1 GLY 128 HA3 -0.01 0.06 0.42 -0.51 4.01 3.98 2ok5A1 GLN 129 H -0.05 0.10 0.20 -0.55 8.47 8.17 2ok5A1 GLN 129 HA -0.06 0.23 0.88 -0.75 4.36 4.66 2ok5A1 GLN 129 HB2 -0.06 -0.11 0.02 -0.04 2.15 1.95 2ok5A1 GLN 129 HB3 -0.07 0.05 0.07 -0.04 2.02 2.04 2ok5A1 GLN 129 HG2 -0.03 -0.09 -0.22 -0.04 2.40 2.02 2ok5A1 GLN 129 HG3 -0.03 0.01 -0.04 -0.04 2.39 2.29 2ok5A1 GLN 129 HE21 -0.03 0.02 0.01 -0.04 6.97 6.93 2ok5A1 GLN 129 HE22 -0.04 -0.01 0.01 -0.04 7.69 7.61 2ok5A1 THR 130 H -0.11 0.15 0.12 -0.55 8.28 7.89 2ok5A1 THR 130 HA -0.27 0.02 0.44 -0.75 4.39 3.82 2ok5A1 THR 130 HB -0.13 0.00 0.06 -0.04 4.32 4.20 2ok5A1 THR 130 HG23 -0.16 0.04 -0.28 -0.04 1.22 0.78 2ok5A1 ALA 131 H -0.57 0.12 0.19 -0.55 8.40 7.59 2ok5A1 ALA 131 HA -0.19 0.24 0.74 -0.75 4.34 4.38 2ok5A1 ALA 131 HB3 -0.69 0.07 -0.03 -0.04 1.41 0.72 2ok5A1 ILE 132 H -0.04 0.63 0.21 -0.55 8.25 8.50 2ok5A1 ILE 132 HA -0.06 0.08 0.73 -0.75 4.18 4.18 2ok5A1 ILE 132 HB -0.05 -0.05 -0.04 -0.04 1.89 1.71 2ok5A1 ILE 132 HG12 -0.10 -0.08 -0.29 -0.04 1.49 0.99 2ok5A1 ILE 132 HG13 -0.09 0.06 -0.77 -0.04 1.21 0.36 2ok5A1 ILE 132 HG23 -0.09 0.03 -0.25 -0.04 0.93 0.58 2ok5A1 ILE 132 HD13 -0.09 0.03 -0.27 -0.04 0.88 0.50 2ok5A1 CYS 133 H -0.27 0.21 0.03 -0.55 8.50 7.92 2ok5A1 CYS 133 HA -0.00 0.30 0.85 -0.75 4.58 4.98 2ok5A1 CYS 133 HB2 -0.45 0.19 0.03 -0.04 2.97 2.70 2ok5A1 CYS 133 HB3 -0.14 -0.01 -0.11 -0.04 2.97 2.67 2ok5A1 ASP 134 H 0.11 0.53 0.28 -0.55 8.40 8.78 2ok5A1 ASP 134 HA 0.17 0.09 0.80 -0.75 4.63 4.94 2ok5A1 ASP 134 HB2 0.02 0.08 -0.21 -0.04 2.71 2.56 2ok5A1 ASP 134 HB3 0.05 0.10 0.05 -0.04 2.70 2.86 2ok5A1 ASN 135 H 0.19 0.11 0.21 -0.55 8.53 8.49 2ok5A1 ASN 135 HA -0.05 0.29 1.08 -0.75 4.76 5.33 2ok5A1 ASN 135 HB2 -0.25 0.12 0.25 -0.04 2.88 2.96 2ok5A1 ASN 135 HB3 -0.73 0.06 0.06 -0.04 2.79 2.14 2ok5A1 ASN 135 HD21 0.05 -0.02 -0.00 -0.04 7.03 7.01 2ok5A1 ASN 135 HD22 -0.22 0.08 0.02 -0.04 7.74 7.57 2ok5A1 GLY 136 H 0.06 0.01 -0.05 -0.55 8.43 7.89 2ok5A1 GLY 136 HA2 0.03 0.04 0.26 -0.51 4.01 3.83 2ok5A1 GLY 136 HA3 0.01 0.13 0.31 -0.51 4.01 3.94 2ok5A1 ALA 137 H 0.06 -0.11 -0.37 -0.55 8.40 7.43 2ok5A1 ALA 137 HA 0.02 0.20 0.52 -0.75 4.34 4.33 2ok5A1 ALA 137 HB3 0.04 -0.01 -0.00 -0.04 1.41 1.40 2ok5A1 GLY 138 H 0.12 -0.06 -0.15 -0.55 8.43 7.79 2ok5A1 GLY 138 HA2 0.14 -0.02 0.50 -0.51 4.01 4.12 2ok5A1 GLY 138 HA3 0.22 0.13 0.25 -0.51 4.01 4.10 2ok5A1 TYR 139 H 0.19 0.02 0.11 -0.55 8.29 8.06 2ok5A1 TYR 139 HA -0.02 0.07 0.55 -0.75 4.56 4.41 2ok5A1 TYR 139 HB2 -0.02 -0.09 0.20 -0.04 3.06 3.10 2ok5A1 TYR 139 HB3 -0.06 0.08 0.06 -0.04 2.98 3.02 2ok5A1 TYR 139 HD2 -0.10 0.06 -0.20 -0.04 7.15 6.87 2ok5A1 TYR 139 HE2 -0.07 0.08 -0.02 -0.04 6.85 6.79 2ok5A1 CYS 140 H 0.13 0.42 -0.04 -0.55 8.50 8.46 2ok5A1 CYS 140 HA -0.14 0.25 0.77 -0.75 4.58 4.71 2ok5A1 CYS 140 HB2 -0.32 -0.02 -0.09 -0.04 2.97 2.50 2ok5A1 CYS 140 HB3 -0.55 0.11 -0.11 -0.04 2.97 2.37 2ok5A1 SER 141 H 0.07 0.26 0.05 -0.55 8.46 8.30 2ok5A1 SER 141 HA 0.08 -0.05 0.48 -0.75 4.49 4.24 2ok5A1 SER 141 HB2 0.07 0.02 0.00 -0.04 3.95 4.00 2ok5A1 SER 141 HB3 0.07 0.04 0.07 -0.04 3.93 4.07 2ok5A1 ASN 142 H -0.01 -0.01 0.07 -0.55 8.53 8.04 2ok5A1 ASN 142 HA -0.93 0.12 0.51 -0.75 4.76 3.71 2ok5A1 ASN 142 HB2 -0.03 -0.07 0.10 -0.04 2.88 2.84 2ok5A1 ASN 142 HB3 -0.09 -0.02 -0.00 -0.04 2.79 2.64 2ok5A1 ASN 142 HD21 -0.06 -0.06 -0.02 -0.04 7.03 6.84 2ok5A1 ASN 142 HD22 0.00 0.09 0.05 -0.04 7.74 7.84 2ok5A1 PRO 143 HA -0.43 0.07 0.17 -0.51 4.44 3.74 2ok5A1 PRO 143 HB2 -0.61 0.09 -0.10 -0.04 2.28 1.63 2ok5A1 PRO 143 HB3 -2.05 -0.01 -0.05 -0.04 2.02 -0.14 2ok5A1 PRO 143 HG2 -0.49 0.11 -0.05 -0.04 2.03 1.55 2ok5A1 PRO 143 HG3 -1.33 0.02 -0.07 -0.04 2.03 0.60 2ok5A1 PRO 143 HD2 -0.77 0.01 0.08 -0.04 3.68 2.96 2ok5A1 PRO 143 HD3 -1.13 0.19 0.13 -0.04 3.65 2.80 2ok5A1 GLY 144 H -0.23 -0.03 -0.37 -0.55 8.43 7.25 2ok5A1 GLY 144 HA2 -0.11 -0.05 0.18 -0.51 4.01 3.51 2ok5A1 GLY 144 HA3 -0.12 0.17 0.40 -0.51 4.01 3.95 2ok5A1 ILE 145 H -0.04 0.22 -0.04 -0.55 8.25 7.84 2ok5A1 ILE 145 HA 0.14 0.22 0.67 -0.75 4.18 4.46 2ok5A1 ILE 145 HB 0.06 0.03 0.13 -0.04 1.89 2.07 2ok5A1 ILE 145 HG12 0.06 0.05 -0.14 -0.04 1.49 1.42 2ok5A1 ILE 145 HG13 0.01 -0.15 -0.62 -0.04 1.21 0.41 2ok5A1 ILE 145 HG23 0.11 0.00 -0.13 -0.04 0.93 0.87 2ok5A1 ILE 145 HD13 0.04 -0.04 -0.15 -0.04 0.88 0.70 2ok5A1 PRO 146 HA -0.13 -0.03 0.47 -0.51 4.44 4.24 2ok5A1 PRO 146 HB2 -0.14 -0.06 -0.10 -0.04 2.28 1.94 2ok5A1 PRO 146 HB3 -0.13 0.06 0.08 -0.04 2.02 1.99 2ok5A1 PRO 146 HG2 -0.36 0.15 -0.01 -0.04 2.03 1.77 2ok5A1 PRO 146 HG3 -0.22 0.00 0.01 -0.04 2.03 1.78 2ok5A1 PRO 146 HD2 -0.23 0.06 0.00 -0.04 3.68 3.48 2ok5A1 PRO 146 HD3 -0.17 0.20 -0.26 -0.04 3.65 3.37 2ok5A1 ILE 147 H -0.12 0.09 0.17 -0.55 8.25 7.84 2ok5A1 ILE 147 HA -0.07 0.01 0.37 -0.75 4.18 3.74 2ok5A1 ILE 147 HB -0.04 -0.03 0.11 -0.04 1.89 1.89 2ok5A1 ILE 147 HG12 -0.34 0.02 0.05 -0.04 1.49 1.18 2ok5A1 ILE 147 HG13 -0.32 -0.07 0.13 -0.04 1.21 0.92 2ok5A1 ILE 147 HG23 -0.10 -0.00 -0.31 -0.04 0.93 0.48 2ok5A1 ILE 147 HD13 -0.86 0.01 -0.04 -0.04 0.88 -0.05 2ok5A1 GLY 148 H 0.05 0.09 0.18 -0.55 8.43 8.22 2ok5A1 GLY 148 HA2 0.10 0.03 0.35 -0.51 4.01 3.98 2ok5A1 GLY 148 HA3 0.07 0.16 0.85 -0.51 4.01 4.57 2ok5A1 THR 149 H 0.02 0.54 -0.10 -0.55 8.28 8.19 2ok5A1 THR 149 HA 0.04 0.21 0.77 -0.75 4.39 4.66 2ok5A1 THR 149 HB 0.08 -0.06 -0.06 -0.04 4.32 4.24 2ok5A1 THR 149 HG23 -0.08 0.01 -0.36 -0.04 1.22 0.75 2ok5A1 ARG 150 H 0.07 0.46 0.33 -0.55 8.46 8.77 2ok5A1 ARG 150 HA -0.05 0.10 0.84 -0.75 4.34 4.48 2ok5A1 ARG 150 HB2 -0.38 0.02 -0.07 -0.04 1.90 1.43 2ok5A1 ARG 150 HB3 -0.07 -0.03 0.09 -0.04 1.80 1.75 2ok5A1 ARG 150 HG2 -0.16 0.04 -0.21 -0.04 1.67 1.30 2ok5A1 ARG 150 HG3 -0.68 0.00 0.00 -0.04 1.67 0.96 2ok5A1 ARG 150 HD2 -0.20 -0.02 -0.08 -0.04 3.22 2.88 2ok5A1 ARG 150 HD3 -0.70 0.01 -0.06 -0.04 3.22 2.42 2ok5A1 LYS 151 H 0.02 0.14 0.11 -0.55 8.42 8.14 2ok5A1 LYS 151 HA -0.26 0.38 1.06 -0.75 4.32 4.74 2ok5A1 LYS 151 HB2 -0.07 0.03 -0.03 -0.04 1.87 1.75 2ok5A1 LYS 151 HB3 -0.05 -0.11 0.03 -0.04 1.79 1.63 2ok5A1 LYS 151 HG2 -0.18 0.00 -0.37 -0.04 1.46 0.88 2ok5A1 LYS 151 HG3 -0.67 0.08 -0.02 -0.04 1.46 0.81 2ok5A1 LYS 151 HD2 -0.27 -0.03 -0.09 -0.04 1.69 1.25 2ok5A1 LYS 151 HD3 -0.18 0.21 -0.08 -0.04 1.68 1.59 2ok5A1 LYS 151 HE2 -0.01 -0.13 -0.10 -0.04 2.99 2.71 2ok5A1 LYS 151 HE3 -0.02 -0.08 -0.17 -0.04 2.99 2.68 2ok5A1 VAL 152 H -0.13 0.81 0.39 -0.55 8.24 8.76 2ok5A1 VAL 152 HA -0.03 0.09 0.90 -0.75 4.13 4.34 2ok5A1 VAL 152 HB 0.10 -0.01 0.14 -0.04 2.12 2.30 2ok5A1 VAL 152 HG13 -0.01 -0.02 -0.04 -0.04 0.97 0.87 2ok5A1 VAL 152 HG23 -0.05 0.01 -0.15 -0.04 0.95 0.72 2ok5A1 GLY 153 H -0.03 0.08 0.05 -0.55 8.43 7.98 2ok5A1 GLY 153 HA2 -0.03 -0.11 0.47 -0.51 4.01 3.84 2ok5A1 GLY 153 HA3 -0.01 0.32 0.95 -0.51 4.01 4.75 2ok5A1 SER 154 H -0.09 0.03 0.19 -0.55 8.46 8.04 2ok5A1 SER 154 HA -0.14 0.27 0.81 -0.75 4.49 4.68 2ok5A1 SER 154 HB2 -0.05 -0.03 -0.11 -0.04 3.95 3.72 2ok5A1 SER 154 HB3 -0.10 -0.01 0.01 -0.04 3.93 3.78 2ok5A1 GLN 155 H -0.18 0.05 0.11 -0.55 8.47 7.91 2ok5A1 GLN 155 HA -0.34 0.15 0.86 -0.75 4.36 4.27 2ok5A1 GLN 155 HB2 -0.06 0.03 0.16 -0.04 2.15 2.24 2ok5A1 GLN 155 HB3 -0.06 -0.04 0.04 -0.04 2.02 1.92 2ok5A1 GLN 155 HG2 -0.09 0.07 -0.01 -0.04 2.40 2.33 2ok5A1 GLN 155 HG3 -0.08 -0.08 -0.02 -0.04 2.39 2.17 2ok5A1 GLN 155 HE21 -0.02 0.02 0.01 -0.04 6.97 6.93 2ok5A1 GLN 155 HE22 -0.03 0.02 0.00 -0.04 7.69 7.64 2ok5A1 TYR 156 H -0.08 0.13 0.04 -0.55 8.29 7.83 2ok5A1 TYR 156 HA 0.29 0.28 0.70 -0.75 4.56 5.07 2ok5A1 TYR 156 HB2 0.19 -0.07 0.02 -0.04 3.06 3.16 2ok5A1 TYR 156 HB3 0.40 0.11 -0.07 -0.04 2.98 3.38 2ok5A1 TYR 156 HD2 0.36 0.02 -0.25 -0.04 7.15 7.25 2ok5A1 TYR 156 HE2 0.02 0.05 -0.13 -0.04 6.85 6.75 2ok5A1 ARG 157 H 0.06 0.06 -0.18 -0.55 8.46 7.85 2ok5A1 ARG 157 HA 0.08 0.00 0.66 -0.75 4.34 4.33 2ok5A1 ARG 157 HB2 -0.02 0.06 -0.03 -0.04 1.90 1.87 2ok5A1 ARG 157 HB3 -0.04 0.04 0.12 -0.04 1.80 1.88 2ok5A1 ARG 157 HG2 0.03 0.04 0.04 -0.04 1.67 1.74 2ok5A1 ARG 157 HG3 0.02 -0.15 0.03 -0.04 1.67 1.52 2ok5A1 ARG 157 HD2 -0.01 0.05 0.01 -0.04 3.22 3.23 2ok5A1 ARG 157 HD3 -0.00 0.01 0.01 -0.04 3.22 3.19 2ok5A1 LEU 158 H -0.29 0.09 0.12 -0.55 8.37 7.74 2ok5A1 LEU 158 HA -0.37 0.11 0.37 -0.75 4.35 3.69 2ok5A1 LEU 158 HB2 -1.66 0.01 0.06 -0.04 1.64 0.01 2ok5A1 LEU 158 HB3 -0.51 -0.04 0.13 -0.04 1.64 1.18 2ok5A1 LEU 158 HG -0.27 0.03 -0.20 -0.04 1.64 1.16 2ok5A1 LEU 158 HD13 -0.28 0.03 -0.08 -0.04 0.93 0.57 2ok5A1 LEU 158 HD23 -0.38 -0.01 -0.00 -0.04 0.89 0.47 2ok5A1 GLU 159 H -0.18 0.63 0.26 -0.55 8.60 8.77 2ok5A1 GLU 159 HA -0.07 0.11 0.36 -0.75 4.29 3.93 2ok5A1 GLU 159 HB2 -0.09 0.14 -0.17 -0.04 2.09 1.92 2ok5A1 GLU 159 HB3 -0.05 -0.03 0.13 -0.04 1.99 2.00 2ok5A1 GLU 159 HG2 -0.10 -0.07 -0.07 -0.04 2.34 2.06 2ok5A1 GLU 159 HG3 -0.06 -0.03 -0.02 -0.04 2.34 2.19 2ok5A1 ASP 160 H -0.05 0.32 -0.52 -0.55 8.40 7.60 2ok5A1 ASP 160 HA 0.04 0.04 0.67 -0.75 4.63 4.63 2ok5A1 ASP 160 HB2 0.10 0.11 -0.01 -0.04 2.71 2.87 2ok5A1 ASP 160 HB3 0.15 0.18 0.02 -0.04 2.70 3.00 2ok5A1 SER 161 H 0.11 0.13 0.22 -0.55 8.46 8.37 2ok5A1 SER 161 HA 0.35 0.24 1.05 -0.75 4.49 5.38 2ok5A1 SER 161 HB2 0.07 -0.09 0.03 -0.04 3.95 3.93 2ok5A1 SER 161 HB3 0.09 0.07 -0.02 -0.04 3.93 4.04 2ok5A1 VAL 162 H 0.14 0.64 0.37 -0.55 8.24 8.83 2ok5A1 VAL 162 HA -0.05 0.23 0.91 -0.75 4.13 4.47 2ok5A1 VAL 162 HB -0.36 0.09 0.08 -0.04 2.12 1.89 2ok5A1 VAL 162 HG13 0.06 -0.04 -0.20 -0.04 0.97 0.74 2ok5A1 VAL 162 HG23 -0.44 -0.01 -0.07 -0.04 0.95 0.39 2ok5A1 THR 163 H -0.17 0.55 0.40 -0.55 8.28 8.52 2ok5A1 THR 163 HA -0.15 0.39 1.28 -0.75 4.39 5.15 2ok5A1 THR 163 HB -0.15 0.08 0.16 -0.04 4.32 4.38 2ok5A1 THR 163 HG23 -0.01 -0.02 -0.13 -0.04 1.22 1.02 2ok5A1 TYR 164 H -0.15 0.64 0.41 -0.55 8.29 8.63 2ok5A1 TYR 164 HA -0.11 0.38 1.21 -0.75 4.56 5.29 2ok5A1 TYR 164 HB2 -0.15 0.06 0.07 -0.04 3.06 2.99 2ok5A1 TYR 164 HB3 -0.11 -0.09 -0.05 -0.04 2.98 2.69 2ok5A1 TYR 164 HD2 -0.10 0.01 -0.24 -0.04 7.15 6.77 2ok5A1 TYR 164 HE2 -0.17 0.01 -0.11 -0.04 6.85 6.54 2ok5A1 HIS 165 H 0.13 0.42 0.35 -0.55 8.41 8.76 2ok5A1 HIS 165 HA 0.01 0.08 0.88 -0.75 4.63 4.85 2ok5A1 HIS 165 HB2 -0.05 -0.03 0.03 -0.04 3.26 3.17 2ok5A1 HIS 165 HB3 -0.02 0.05 0.00 -0.04 3.20 3.19 2ok5A1 HIS 165 HD2 -0.07 0.21 -0.20 -0.04 6.97 6.86 2ok5A1 HIS 165 HE1 -0.02 -0.03 -0.09 -0.04 7.75 7.56 2ok5A1 CYS 166 H 0.05 0.11 0.12 -0.55 8.50 8.22 2ok5A1 CYS 166 HA 0.03 0.24 0.79 -0.75 4.58 4.89 2ok5A1 CYS 166 HB2 0.01 -0.01 -0.11 -0.04 2.97 2.82 2ok5A1 CYS 166 HB3 0.01 0.05 -0.09 -0.04 2.97 2.90 2ok5A1 SER 167 H 0.04 0.18 0.12 -0.55 8.46 8.25 2ok5A1 SER 167 HA 0.04 0.07 0.64 -0.75 4.49 4.48 2ok5A1 SER 167 HB2 0.05 0.01 0.05 -0.04 3.95 4.02 2ok5A1 SER 167 HB3 0.06 -0.01 0.11 -0.04 3.93 4.04 2ok5A1 ARG 168 H 0.04 0.10 0.15 -0.55 8.46 8.19 2ok5A1 ARG 168 HA 0.03 0.03 0.47 -0.75 4.34 4.11 2ok5A1 ARG 168 HB2 0.03 0.01 0.17 -0.04 1.90 2.08 2ok5A1 ARG 168 HB3 0.04 -0.02 0.10 -0.04 1.80 1.89 2ok5A1 ARG 168 HG2 0.03 0.02 -0.06 -0.04 1.67 1.62 2ok5A1 ARG 168 HG3 0.03 0.01 0.07 -0.04 1.67 1.73 2ok5A1 ARG 168 HD2 0.03 0.00 0.01 -0.04 3.22 3.22 2ok5A1 ARG 168 HD3 0.03 -0.05 -0.03 -0.04 3.22 3.13 2ok5A1 GLY 169 H 0.02 0.14 0.17 -0.55 8.43 8.21 2ok5A1 GLY 169 HA2 0.02 -0.02 0.41 -0.51 4.01 3.91 2ok5A1 GLY 169 HA3 0.03 0.13 0.72 -0.51 4.01 4.37 2ok5A1 LEU 170 H 0.01 0.49 -0.36 -0.55 8.37 7.97 2ok5A1 LEU 170 HA -0.03 0.23 0.80 -0.75 4.35 4.60 2ok5A1 LEU 170 HB2 0.01 0.09 0.01 -0.04 1.64 1.71 2ok5A1 LEU 170 HB3 -0.02 -0.08 -0.11 -0.04 1.64 1.38 2ok5A1 LEU 170 HG -0.04 -0.00 -0.26 -0.04 1.64 1.30 2ok5A1 LEU 170 HD13 0.02 -0.03 -0.14 -0.04 0.93 0.74 2ok5A1 LEU 170 HD23 0.00 -0.01 -0.15 -0.04 0.89 0.69 2ok5A1 THR 171 H -0.05 0.56 0.30 -0.55 8.28 8.54 2ok5A1 THR 171 HA -0.02 0.13 0.94 -0.75 4.39 4.69 2ok5A1 THR 171 HB -0.05 0.02 0.02 -0.04 4.32 4.27 2ok5A1 THR 171 HG23 -0.04 0.01 -0.11 -0.04 1.22 1.04 2ok5A1 LEU 172 H -0.03 0.10 0.11 -0.55 8.37 8.00 2ok5A1 LEU 172 HA -0.06 0.22 0.64 -0.75 4.35 4.40 2ok5A1 LEU 172 HB2 -0.04 -0.11 0.03 -0.04 1.64 1.49 2ok5A1 LEU 172 HB3 -0.05 -0.03 0.02 -0.04 1.64 1.55 2ok5A1 LEU 172 HG -0.08 0.15 -0.31 -0.04 1.64 1.36 2ok5A1 LEU 172 HD13 -0.06 -0.02 -0.30 -0.04 0.93 0.51 2ok5A1 LEU 172 HD23 -0.06 0.05 -0.24 -0.04 0.89 0.61 2ok5A1 ARG 173 H -0.08 0.77 0.39 -0.55 8.46 8.99 2ok5A1 ARG 173 HA -0.08 0.11 0.75 -0.75 4.34 4.36 2ok5A1 ARG 173 HB2 -0.09 -0.01 -0.03 -0.04 1.90 1.73 2ok5A1 ARG 173 HB3 -0.09 0.01 0.06 -0.04 1.80 1.74 2ok5A1 ARG 173 HG2 -0.10 0.05 -0.19 -0.04 1.67 1.38 2ok5A1 ARG 173 HG3 -0.11 -0.04 0.03 -0.04 1.67 1.51 2ok5A1 ARG 173 HD2 -0.09 -0.01 -0.10 -0.04 3.22 2.99 2ok5A1 ARG 173 HD3 -0.12 0.02 -0.04 -0.04 3.22 3.04 2ok5A1 GLY 174 H -0.09 0.12 0.09 -0.55 8.43 8.00 2ok5A1 GLY 174 HA2 -0.08 0.03 0.25 -0.51 4.01 3.70 2ok5A1 GLY 174 HA3 -0.10 0.24 0.65 -0.51 4.01 4.29 2ok5A1 SER 175 H -0.09 0.46 0.01 -0.55 8.46 8.29 2ok5A1 SER 175 HA -0.04 0.04 0.44 -0.75 4.49 4.18 2ok5A1 SER 175 HB2 -0.03 0.22 0.07 -0.04 3.95 4.17 2ok5A1 SER 175 HB3 0.02 0.19 -0.10 -0.04 3.93 4.00 2ok5A1 GLN 176 H -0.02 0.14 0.19 -0.55 8.47 8.22 2ok5A1 GLN 176 HA -0.00 0.16 0.76 -0.75 4.36 4.52 2ok5A1 GLN 176 HB2 -0.08 0.08 0.19 -0.04 2.15 2.29 2ok5A1 GLN 176 HB3 -0.04 0.02 0.11 -0.04 2.02 2.07 2ok5A1 GLN 176 HG2 -0.03 -0.02 0.05 -0.04 2.40 2.36 2ok5A1 GLN 176 HG3 -0.02 -0.05 0.09 -0.04 2.39 2.37 2ok5A1 GLN 176 HE21 -0.01 -0.03 -0.09 -0.04 6.97 6.79 2ok5A1 GLN 176 HE22 -0.01 -0.00 -0.06 -0.04 7.69 7.58 2ok5A1 ARG 177 H 0.02 0.11 0.02 -0.55 8.46 8.05 2ok5A1 ARG 177 HA 0.03 0.38 1.06 -0.75 4.34 5.05 2ok5A1 ARG 177 HB2 0.00 -0.03 -0.07 -0.04 1.90 1.76 2ok5A1 ARG 177 HB3 0.02 -0.06 0.03 -0.04 1.80 1.75 2ok5A1 ARG 177 HG2 0.07 -0.02 -0.40 -0.04 1.67 1.28 2ok5A1 ARG 177 HG3 0.04 0.09 -0.06 -0.04 1.67 1.69 2ok5A1 ARG 177 HD2 0.03 -0.03 -0.11 -0.04 3.22 3.07 2ok5A1 ARG 177 HD3 0.04 -0.01 -0.13 -0.04 3.22 3.08 2ok5A1 ARG 178 H 0.08 0.65 0.28 -0.55 8.46 8.92 2ok5A1 ARG 178 HA 0.16 0.13 0.72 -0.75 4.34 4.60 2ok5A1 ARG 178 HB2 0.03 -0.05 -0.01 -0.04 1.90 1.83 2ok5A1 ARG 178 HB3 0.29 0.05 -0.04 -0.04 1.80 2.07 2ok5A1 ARG 178 HG2 0.08 0.04 -0.24 -0.04 1.67 1.51 2ok5A1 ARG 178 HG3 0.15 -0.02 -0.39 -0.04 1.67 1.36 2ok5A1 ARG 178 HD2 -0.08 0.05 -0.26 -0.04 3.22 2.89 2ok5A1 ARG 178 HD3 -0.10 -0.05 -0.17 -0.04 3.22 2.85 2ok5A1 THR 179 H 0.27 0.13 0.17 -0.55 8.28 8.30 2ok5A1 THR 179 HA 0.31 0.27 1.08 -0.75 4.39 5.30 2ok5A1 THR 179 HB 0.08 -0.06 0.03 -0.04 4.32 4.33 2ok5A1 THR 179 HG23 0.02 0.04 -0.25 -0.04 1.22 0.99 2ok5A1 CYS 180 H -0.06 0.87 0.25 -0.55 8.50 9.01 2ok5A1 CYS 180 HA -0.92 0.12 0.52 -0.75 4.58 3.55 2ok5A1 CYS 180 HB2 -1.29 0.02 -0.05 -0.04 2.97 1.61 2ok5A1 CYS 180 HB3 -0.31 0.00 0.17 -0.04 2.97 2.80 2ok5A1 GLN 181 H -0.26 0.71 0.33 -0.55 8.47 8.70 2ok5A1 GLN 181 HA -0.08 0.05 0.67 -0.75 4.36 4.24 2ok5A1 GLN 181 HB2 -0.05 0.13 0.09 -0.04 2.15 2.28 2ok5A1 GLN 181 HB3 -0.02 0.02 0.06 -0.04 2.02 2.04 2ok5A1 GLN 181 HG2 -0.02 -0.05 -0.06 -0.04 2.40 2.23 2ok5A1 GLN 181 HG3 -0.03 0.15 -0.06 -0.04 2.39 2.42 2ok5A1 GLN 181 HE21 0.02 -0.00 0.02 -0.04 6.97 6.96 2ok5A1 GLN 181 HE22 0.01 -0.02 0.00 -0.04 7.69 7.64 2ok5A1 GLU 182 H -0.02 0.12 0.17 -0.55 8.60 8.32 2ok5A1 GLU 182 HA 0.19 -0.02 0.49 -0.75 4.29 4.19 2ok5A1 GLU 182 HB2 -0.01 -0.01 0.17 -0.04 2.09 2.20 2ok5A1 GLU 182 HB3 0.02 0.06 0.11 -0.04 1.99 2.14 2ok5A1 GLU 182 HG2 0.06 0.06 -0.08 -0.04 2.34 2.33 2ok5A1 GLU 182 HG3 0.11 -0.04 0.09 -0.04 2.34 2.46 2ok5A1 GLY 183 H 0.21 0.10 0.19 -0.55 8.43 8.38 2ok5A1 GLY 183 HA2 -0.03 -0.00 0.39 -0.51 4.01 3.86 2ok5A1 GLY 183 HA3 -0.01 0.19 0.77 -0.51 4.01 4.45 2ok5A1 GLY 184 H 0.03 0.50 -0.11 -0.55 8.43 8.30 2ok5A1 GLY 184 HA2 -0.22 0.06 0.25 -0.51 4.01 3.58 2ok5A1 GLY 184 HA3 -0.21 0.16 0.60 -0.51 4.01 4.06 2ok5A1 SER 185 H -0.08 0.15 -0.10 -0.55 8.46 7.87 2ok5A1 SER 185 HA -0.07 0.19 1.00 -0.75 4.49 4.86 2ok5A1 SER 185 HB2 0.04 0.06 0.07 -0.04 3.95 4.07 2ok5A1 SER 185 HB3 -0.01 0.03 -0.07 -0.04 3.93 3.84 2ok5A1 TRP 186 H 0.24 0.16 0.12 -0.55 7.97 7.94 2ok5A1 TRP 186 HA 0.03 0.18 0.79 -0.75 4.62 4.87 2ok5A1 TRP 186 HB2 0.00 -0.00 0.02 -0.04 3.23 3.22 2ok5A1 TRP 186 HB3 0.03 0.06 -0.09 -0.04 3.23 3.18 2ok5A1 TRP 186 HD1 -0.03 -0.02 -0.07 -0.04 7.22 7.06 2ok5A1 TRP 186 HE1 -0.11 0.40 -0.19 -0.04 10.20 10.25 2ok5A1 TRP 186 HE3 0.05 -0.09 -0.64 -0.04 7.59 6.87 2ok5A1 TRP 186 HZ2 -0.12 0.06 -0.14 -0.04 7.44 7.19 2ok5A1 TRP 186 HZ3 0.08 0.03 -0.20 -0.04 7.13 7.00 2ok5A1 TRP 186 HH2 0.32 0.03 -0.20 -0.04 7.19 7.29 2ok5A1 SER 187 H 0.22 0.39 0.29 -0.55 8.46 8.82 2ok5A1 SER 187 HA 0.08 0.10 0.56 -0.75 4.49 4.48 2ok5A1 SER 187 HB2 0.06 -0.00 0.19 -0.04 3.95 4.15 2ok5A1 SER 187 HB3 0.07 0.05 0.17 -0.04 3.93 4.17 2ok5A1 GLY 188 H 0.04 0.08 0.20 -0.55 8.43 8.20 2ok5A1 GLY 188 HA2 0.00 0.14 0.33 -0.51 4.01 3.98 2ok5A1 GLY 188 HA3 0.03 0.04 0.35 -0.51 4.01 3.92 2ok5A1 THR 189 H -0.02 0.15 0.12 -0.55 8.28 7.98 2ok5A1 THR 189 HA -0.01 0.12 0.66 -0.75 4.39 4.40 2ok5A1 THR 189 HB -0.02 -0.05 -0.50 -0.04 4.32 3.71 2ok5A1 THR 189 HG23 -0.06 -0.00 -0.06 -0.04 1.22 1.06 2ok5A1 GLU 190 H -0.07 0.04 0.13 -0.55 8.60 8.15 2ok5A1 GLU 190 HA -0.22 0.13 0.39 -0.75 4.29 3.83 2ok5A1 GLU 190 HB2 -0.12 -0.01 0.12 -0.04 2.09 2.03 2ok5A1 GLU 190 HB3 -0.10 -0.07 0.16 -0.04 1.99 1.94 2ok5A1 GLU 190 HG2 -0.18 0.24 -0.14 -0.04 2.34 2.22 2ok5A1 GLU 190 HG3 -0.24 0.04 0.03 -0.04 2.34 2.13 2ok5A1 PRO 191 HA -0.17 0.28 0.76 -0.51 4.44 4.80 2ok5A1 PRO 191 HB2 -0.24 -0.08 -0.10 -0.04 2.28 1.82 2ok5A1 PRO 191 HB3 -0.23 0.18 -0.07 -0.04 2.02 1.85 2ok5A1 PRO 191 HG2 -0.77 -0.06 -0.05 -0.04 2.03 1.11 2ok5A1 PRO 191 HG3 -1.29 0.06 -0.02 -0.04 2.03 0.74 2ok5A1 PRO 191 HD2 -0.62 0.03 0.17 -0.04 3.68 3.22 2ok5A1 PRO 191 HD3 -0.48 0.22 0.18 -0.04 3.65 3.53 2ok5A1 SER 192 H -0.12 0.59 0.34 -0.55 8.46 8.72 2ok5A1 SER 192 HA -0.10 0.08 0.18 -0.75 4.49 3.90 2ok5A1 SER 192 HB2 -0.06 0.00 0.07 -0.04 3.95 3.92 2ok5A1 SER 192 HB3 -0.08 0.12 0.03 -0.04 3.93 3.95 2ok5A1 CYS 193 H -0.04 0.25 0.05 -0.55 8.50 8.21 2ok5A1 CYS 193 HA -0.05 0.16 0.72 -0.75 4.58 4.65 2ok5A1 CYS 193 HB2 -0.01 0.05 0.07 -0.04 2.97 3.04 2ok5A1 CYS 193 HB3 -0.02 -0.03 -0.10 -0.04 2.97 2.79 2ok5A1 GLN 194 H -0.07 0.72 0.28 -0.55 8.47 8.85 2ok5A1 GLN 194 HA -0.15 0.14 0.89 -0.75 4.36 4.48 2ok5A1 GLN 194 HB2 -0.10 -0.05 0.13 -0.04 2.15 2.08 2ok5A1 GLN 194 HB3 -0.16 0.10 0.01 -0.04 2.02 1.93 2ok5A1 GLN 194 HG2 -0.09 0.03 -0.18 -0.04 2.40 2.11 2ok5A1 GLN 194 HG3 -0.10 -0.04 -0.11 -0.04 2.39 2.11 2ok5A1 GLN 194 HE21 -0.08 0.00 -0.15 -0.04 6.97 6.70 2ok5A1 GLN 194 HE22 -0.08 -0.06 -0.39 -0.04 7.69 7.12 2ok5A1 ASP 195 H -0.30 0.19 0.18 -0.55 8.40 7.93 2ok5A1 ASP 195 HA -0.12 0.16 0.80 -0.75 4.63 4.71 2ok5A1 ASP 195 HB2 -0.31 0.11 0.14 -0.04 2.71 2.61 2ok5A1 ASP 195 HB3 -0.74 -0.11 0.04 -0.04 2.70 1.84 2ok5A1 SER 196 H -0.04 0.18 0.17 -0.55 8.46 8.21 2ok5A1 SER 196 HA -0.10 0.12 0.37 -0.75 4.49 4.13 2ok5A1 SER 196 HB2 0.05 -0.03 0.14 -0.04 3.95 4.07 2ok5A1 SER 196 HB3 0.02 0.06 0.20 -0.04 3.93 4.17 2ok5A1 PHE 197 H -0.15 0.01 -0.28 -0.55 8.34 7.37 2ok5A1 PHE 197 HA 0.01 0.16 0.67 -0.75 4.62 4.70 2ok5A1 PHE 197 HB2 0.12 0.03 0.12 -0.04 3.15 3.39 2ok5A1 PHE 197 HB3 0.15 0.00 0.05 -0.04 3.06 3.22 2ok5A1 PHE 197 HD2 -0.07 -0.03 -0.13 -0.04 7.28 7.01 2ok5A1 PHE 197 HE2 -0.22 0.04 -0.14 -0.04 7.38 7.02 2ok5A1 PHE 197 HZ -0.19 0.10 -0.01 -0.04 7.32 7.19 2ok5A1 MET 198 H -0.59 0.31 -0.30 -0.55 8.47 7.34 2ok5A1 MET 198 HA -0.22 0.04 0.29 -0.75 4.52 3.88 2ok5A1 MET 198 HB2 -0.40 0.10 0.15 -0.04 2.15 1.95 2ok5A1 MET 198 HB3 -0.25 0.01 -0.04 -0.04 2.03 1.71 2ok5A1 MET 198 HG2 -0.48 0.20 0.04 -0.04 2.63 2.34 2ok5A1 MET 198 HG3 -1.40 -0.16 0.03 -0.04 2.56 0.98 2ok5A1 MET 198 HE3 -0.18 0.02 0.05 -0.04 2.10 1.96 2ok5A1 TYR 199 H 0.10 0.20 0.25 -0.55 8.29 8.29 2ok5A1 TYR 199 HA -0.00 0.22 0.70 -0.75 4.56 4.73 2ok5A1 TYR 199 HB2 0.03 -0.06 -0.00 -0.04 3.06 2.99 2ok5A1 TYR 199 HB3 0.02 -0.02 0.02 -0.04 2.98 2.97 2ok5A1 TYR 199 HD2 0.05 0.02 -0.37 -0.04 7.15 6.81 2ok5A1 TYR 199 HE2 0.06 0.03 -0.21 -0.04 6.85 6.68 2ok5A1 ASP 200 H 0.18 0.83 0.33 -0.55 8.40 9.19 2ok5A1 ASP 200 HA 0.07 0.09 0.78 -0.75 4.63 4.81 2ok5A1 ASP 200 HB2 0.14 -0.07 0.03 -0.04 2.71 2.76 2ok5A1 ASP 200 HB3 0.10 0.01 0.01 -0.04 2.70 2.78 2ok5A1 THR 201 H 0.03 0.15 0.15 -0.55 8.28 8.07 2ok5A1 THR 201 HA 0.00 0.15 0.61 -0.75 4.39 4.40 2ok5A1 THR 201 HB 0.01 0.05 0.13 -0.04 4.32 4.47 2ok5A1 THR 201 HG23 0.04 0.05 0.06 -0.04 1.22 1.33 2ok5A1 PRO 202 HA -0.11 0.07 0.40 -0.51 4.44 4.29 2ok5A1 PRO 202 HB2 -0.08 0.11 -0.11 -0.04 2.28 2.16 2ok5A1 PRO 202 HB3 -0.09 0.07 -0.13 -0.04 2.02 1.83 2ok5A1 PRO 202 HG2 -0.09 0.04 0.09 -0.04 2.03 2.03 2ok5A1 PRO 202 HG3 -0.06 0.03 0.13 -0.04 2.03 2.08 2ok5A1 PRO 202 HD2 -0.05 0.12 0.21 -0.04 3.68 3.92 2ok5A1 PRO 202 HD3 -0.05 0.14 0.27 -0.04 3.65 3.97 2ok5A1 GLN 203 H -0.08 0.10 -0.23 -0.55 8.47 7.71 2ok5A1 GLN 203 HA -0.28 0.17 0.52 -0.75 4.36 4.01 2ok5A1 GLN 203 HB2 -0.09 -0.07 0.02 -0.04 2.15 1.98 2ok5A1 GLN 203 HB3 -0.22 0.08 0.03 -0.04 2.02 1.87 2ok5A1 GLN 203 HG2 0.05 0.16 0.02 -0.04 2.40 2.59 2ok5A1 GLN 203 HG3 -0.05 0.09 0.03 -0.04 2.39 2.43 2ok5A1 GLN 203 HE21 -0.07 -0.07 0.01 -0.04 6.97 6.80 2ok5A1 GLN 203 HE22 -0.02 0.15 0.01 -0.04 7.69 7.78 2ok5A1 GLU 204 H -0.11 0.05 -0.20 -0.55 8.60 7.79 2ok5A1 GLU 204 HA -0.16 0.13 0.53 -0.75 4.29 4.04 2ok5A1 GLU 204 HB2 -0.03 0.03 0.16 -0.04 2.09 2.21 2ok5A1 GLU 204 HB3 -0.01 0.04 -0.04 -0.04 1.99 1.94 2ok5A1 GLU 204 HG2 -0.04 0.09 0.03 -0.04 2.34 2.38 2ok5A1 GLU 204 HG3 -0.06 -0.03 0.02 -0.04 2.34 2.23 2ok5A1 VAL 205 H -0.13 0.46 -0.16 -0.55 8.24 7.87 2ok5A1 VAL 205 HA -0.24 0.06 0.39 -0.75 4.13 3.58 2ok5A1 VAL 205 HB -0.23 0.05 0.06 -0.04 2.12 1.96 2ok5A1 VAL 205 HG13 -0.79 -0.00 -0.15 -0.04 0.97 -0.01 2ok5A1 VAL 205 HG23 0.01 0.04 -0.15 -0.04 0.95 0.80 2ok5A1 ALA 206 H -0.25 0.57 -0.14 -0.55 8.40 8.03 2ok5A1 ALA 206 HA -0.12 0.01 0.41 -0.75 4.34 3.88 2ok5A1 ALA 206 HB3 -0.20 0.04 0.13 -0.04 1.41 1.33 2ok5A1 GLU 207 H -0.40 0.39 -0.19 -0.55 8.60 7.85 2ok5A1 GLU 207 HA 0.27 0.07 0.59 -0.75 4.29 4.47 2ok5A1 GLU 207 HB2 -0.51 -0.05 0.08 -0.04 2.09 1.56 2ok5A1 GLU 207 HB3 -0.38 0.08 0.21 -0.04 1.99 1.86 2ok5A1 GLU 207 HG2 -0.06 0.15 0.05 -0.04 2.34 2.44 2ok5A1 GLU 207 HG3 0.00 0.01 -0.27 -0.04 2.34 2.03 2ok5A1 ALA 208 H -0.03 0.56 -0.06 -0.55 8.40 8.31 2ok5A1 ALA 208 HA 0.10 0.06 0.43 -0.75 4.34 4.17 2ok5A1 ALA 208 HB3 0.22 -0.02 0.07 -0.04 1.41 1.63 2ok5A1 PHE 209 H 0.06 0.59 -0.14 -0.55 8.34 8.30 2ok5A1 PHE 209 HA 0.10 0.11 0.50 -0.75 4.62 4.58 2ok5A1 PHE 209 HB2 -0.40 -0.04 0.04 -0.04 3.15 2.70 2ok5A1 PHE 209 HB3 -0.16 0.06 0.10 -0.04 3.06 3.02 2ok5A1 PHE 209 HD2 -0.11 0.03 -0.07 -0.04 7.28 7.09 2ok5A1 PHE 209 HE2 -0.48 0.00 -0.09 -0.04 7.38 6.77 2ok5A1 PHE 209 HZ -0.02 -0.00 -0.10 -0.04 7.32 7.16 2ok5A1 LEU 210 H 0.16 0.44 -0.10 -0.55 8.37 8.32 2ok5A1 LEU 210 HA -0.13 0.01 0.32 -0.75 4.35 3.80 2ok5A1 LEU 210 HB2 0.30 0.18 0.19 -0.04 1.64 2.27 2ok5A1 LEU 210 HB3 0.14 -0.02 -0.09 -0.04 1.64 1.63 2ok5A1 LEU 210 HG 0.30 0.03 0.08 -0.04 1.64 2.00 2ok5A1 LEU 210 HD13 0.23 -0.00 -0.03 -0.04 0.93 1.09 2ok5A1 LEU 210 HD23 0.15 -0.02 -0.04 -0.04 0.89 0.94 2ok5A1 SER 211 H 0.09 0.47 -0.24 -0.55 8.46 8.22 2ok5A1 SER 211 HA 0.02 0.09 0.49 -0.75 4.49 4.33 2ok5A1 SER 211 HB2 0.06 -0.07 0.10 -0.04 3.95 4.01 2ok5A1 SER 211 HB3 0.12 0.01 0.10 -0.04 3.93 4.12 2ok5A1 SER 212 H -0.02 0.16 -0.51 -0.55 8.46 7.54 2ok5A1 SER 212 HA 0.01 0.09 0.77 -0.75 4.49 4.61 2ok5A1 SER 212 HB2 0.04 -0.00 0.21 -0.04 3.95 4.16 2ok5A1 SER 212 HB3 0.02 0.08 0.25 -0.04 3.93 4.24 2ok5A1 LEU 213 H -0.28 0.53 0.09 -0.55 8.37 8.17 2ok5A1 LEU 213 HA -0.08 -0.00 0.29 -0.75 4.35 3.81 2ok5A1 LEU 213 HB2 -0.84 -0.05 0.06 -0.04 1.64 0.77 2ok5A1 LEU 213 HB3 -0.42 0.02 0.09 -0.04 1.64 1.28 2ok5A1 LEU 213 HG -0.19 0.03 -0.17 -0.04 1.64 1.27 2ok5A1 LEU 213 HD13 -0.11 -0.02 -0.05 -0.04 0.93 0.72 2ok5A1 LEU 213 HD23 -0.17 -0.03 -0.11 -0.04 0.89 0.54 2ok5A1 THR 214 H -0.15 0.41 -0.16 -0.55 8.28 7.83 2ok5A1 THR 214 HA -0.19 0.14 0.81 -0.75 4.39 4.39 2ok5A1 THR 214 HB -0.32 0.02 0.09 -0.04 4.32 4.06 2ok5A1 THR 214 HG23 -0.49 -0.04 -0.16 -0.04 1.22 0.49 2ok5A1 GLU 215 H -0.13 0.65 0.40 -0.55 8.60 8.98 2ok5A1 GLU 215 HA -0.04 0.17 0.75 -0.75 4.29 4.42 2ok5A1 GLU 215 HB2 -0.06 -0.02 0.08 -0.04 2.09 2.06 2ok5A1 GLU 215 HB3 -0.03 0.05 -0.00 -0.04 1.99 1.96 2ok5A1 GLU 215 HG2 -0.03 0.02 0.10 -0.04 2.34 2.39 2ok5A1 GLU 215 HG3 -0.05 0.05 -0.05 -0.04 2.34 2.26 2ok5A1 THR 216 H -0.02 0.13 0.15 -0.55 8.28 7.99 2ok5A1 THR 216 HA -0.01 0.17 0.87 -0.75 4.39 4.65 2ok5A1 THR 216 HB 0.01 0.01 0.04 -0.04 4.32 4.34 2ok5A1 THR 216 HG23 0.00 -0.01 0.09 -0.04 1.22 1.26 2ok5A1 ILE 217 H 0.00 0.88 0.36 -0.55 8.25 8.94 2ok5A1 ILE 217 HA -0.00 0.12 0.66 -0.75 4.18 4.21 2ok5A1 ILE 217 HB 0.01 0.11 -0.42 -0.04 1.89 1.55 2ok5A1 ILE 217 HG12 0.00 -0.03 -0.25 -0.04 1.49 1.17 2ok5A1 ILE 217 HG13 0.01 -0.02 -0.44 -0.04 1.21 0.72 2ok5A1 ILE 217 HG23 0.00 -0.03 -0.08 -0.04 0.93 0.79 2ok5A1 ILE 217 HD13 0.03 -0.00 -0.24 -0.04 0.88 0.62 2ok5A1 LYS 233 HA -0.01 0.01 0.22 -0.75 4.32 3.78 2ok5A1 LYS 233 HB2 0.01 -0.06 -0.10 -0.04 1.87 1.68 2ok5A1 LYS 233 HB3 0.03 0.07 0.10 -0.04 1.79 1.96 2ok5A1 LYS 233 HG2 -0.02 0.03 0.07 -0.04 1.46 1.50 2ok5A1 LYS 233 HG3 -0.01 -0.05 0.05 -0.04 1.46 1.41 2ok5A1 LYS 233 HD2 -0.01 -0.04 0.02 -0.04 1.69 1.62 2ok5A1 LYS 233 HD3 0.01 0.02 0.00 -0.04 1.68 1.67 2ok5A1 LYS 233 HE2 -0.03 0.01 0.04 -0.04 2.99 2.98 2ok5A1 LYS 233 HE3 -0.02 -0.01 0.03 -0.04 2.99 2.95 2ok5A1 ARG 234 H 0.13 0.18 0.15 -0.55 8.46 8.37 2ok5A1 ARG 234 HA 0.00 0.13 1.05 -0.75 4.34 4.76 2ok5A1 ARG 234 HB2 0.28 -0.02 -0.02 -0.04 1.90 2.10 2ok5A1 ARG 234 HB3 -0.10 0.08 0.05 -0.04 1.80 1.79 2ok5A1 ARG 234 HG2 -0.01 0.02 -0.23 -0.04 1.67 1.42 2ok5A1 ARG 234 HG3 0.01 -0.05 -0.19 -0.04 1.67 1.40 2ok5A1 ARG 234 HD2 0.07 0.00 -0.11 -0.04 3.22 3.14 2ok5A1 ARG 234 HD3 -0.01 0.08 -0.20 -0.04 3.22 3.05 2ok5A1 LYS 235 H -0.12 0.76 0.36 -0.55 8.42 8.87 2ok5A1 LYS 235 HA -0.01 0.13 0.60 -0.75 4.32 4.28 2ok5A1 LYS 235 HB2 -0.00 0.06 -0.00 -0.04 1.87 1.88 2ok5A1 LYS 235 HB3 0.02 0.05 -0.18 -0.04 1.79 1.64 2ok5A1 LYS 235 HG2 -0.03 0.03 -0.26 -0.04 1.46 1.15 2ok5A1 LYS 235 HG3 -0.05 -0.07 -0.28 -0.04 1.46 1.02 2ok5A1 LYS 235 HD2 -0.01 0.01 -0.16 -0.04 1.69 1.48 2ok5A1 LYS 235 HD3 -0.00 -0.00 -0.16 -0.04 1.68 1.48 2ok5A1 LYS 235 HE2 -0.02 0.06 -0.21 -0.04 2.99 2.78 2ok5A1 LYS 235 HE3 -0.02 -0.03 -0.12 -0.04 2.99 2.78 2ok5A1 ILE 236 H -0.10 0.25 0.14 -0.55 8.25 7.99 2ok5A1 ILE 236 HA -0.15 0.19 0.93 -0.75 4.18 4.39 2ok5A1 ILE 236 HB -0.05 -0.03 0.12 -0.04 1.89 1.89 2ok5A1 ILE 236 HG12 -0.26 0.16 -0.11 -0.04 1.49 1.23 2ok5A1 ILE 236 HG13 -0.52 -0.10 -0.17 -0.04 1.21 0.38 2ok5A1 ILE 236 HG23 -0.06 0.02 -0.16 -0.04 0.93 0.69 2ok5A1 ILE 236 HD13 -0.03 -0.00 -0.06 -0.04 0.88 0.75 2ok5A1 VAL 237 H -0.07 0.21 0.06 -0.55 8.24 7.88 2ok5A1 VAL 237 HA -0.04 0.15 0.96 -0.75 4.13 4.45 2ok5A1 VAL 237 HB -0.04 0.09 -0.05 -0.04 2.12 2.08 2ok5A1 VAL 237 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.79 2ok5A1 VAL 237 HG23 -0.05 -0.00 0.01 -0.04 0.95 0.87 2ok5A1 LEU 238 H -0.03 0.14 0.11 -0.55 8.37 8.04 2ok5A1 LEU 238 HA -0.06 0.20 0.75 -0.75 4.35 4.48 2ok5A1 LEU 238 HB2 -0.02 0.06 -0.04 -0.04 1.64 1.59 2ok5A1 LEU 238 HB3 -0.02 -0.02 -0.07 -0.04 1.64 1.49 2ok5A1 LEU 238 HG -0.03 -0.01 -0.29 -0.04 1.64 1.27 2ok5A1 LEU 238 HD13 -0.02 -0.02 -0.19 -0.04 0.93 0.66 2ok5A1 LEU 238 HD23 -0.04 0.06 -0.29 -0.04 0.89 0.58 2ok5A1 ASP 239 H -0.01 0.18 0.10 -0.55 8.40 8.12 2ok5A1 ASP 239 HA -0.00 0.08 0.51 -0.75 4.63 4.46 2ok5A1 ASP 239 HB2 0.02 -0.05 -0.02 -0.04 2.71 2.62 2ok5A1 ASP 239 HB3 0.02 0.06 0.07 -0.04 2.70 2.81 2ok5A1 PRO 240 HA -0.01 0.04 0.69 -0.51 4.44 4.65 2ok5A1 PRO 240 HB2 -0.01 0.00 0.05 -0.04 2.28 2.27 2ok5A1 PRO 240 HB3 -0.01 0.00 0.10 -0.04 2.02 2.07 2ok5A1 PRO 240 HG2 -0.01 0.00 0.09 -0.04 2.03 2.07 2ok5A1 PRO 240 HG3 -0.01 0.06 0.09 -0.04 2.03 2.13 2ok5A1 PRO 240 HD2 -0.01 0.07 0.21 -0.04 3.68 3.92 2ok5A1 PRO 240 HD3 -0.01 0.18 0.18 -0.04 3.65 3.96 2ok5A1 SER 241 H -0.01 0.12 0.14 -0.55 8.46 8.16 2ok5A1 SER 241 HA -0.01 0.00 0.28 -0.75 4.49 4.01 2ok5A1 SER 241 HB2 -0.02 -0.08 -0.28 -0.04 3.95 3.53 2ok5A1 SER 241 HB3 -0.03 0.08 0.21 -0.04 3.93 4.14 2ok5A1 GLY 242 H -0.01 0.23 -0.16 -0.55 8.43 7.94 2ok5A1 GLY 242 HA2 -0.01 0.12 0.56 -0.51 4.01 4.17 2ok5A1 GLY 242 HA3 -0.00 -0.04 0.19 -0.51 4.01 3.66 2ok5A1 SER 243 H 0.00 0.34 0.09 -0.55 8.46 8.35 2ok5A1 SER 243 HA -0.02 0.14 0.70 -0.75 4.49 4.56 2ok5A1 SER 243 HB2 -0.01 0.02 -0.09 -0.04 3.95 3.83 2ok5A1 SER 243 HB3 -0.01 -0.00 -0.02 -0.04 3.93 3.86 2ok5A1 MET 244 H -0.05 0.22 0.19 -0.55 8.47 8.27 2ok5A1 MET 244 HA -0.09 0.29 0.66 -0.75 4.52 4.63 2ok5A1 MET 244 HB2 -0.05 0.08 0.03 -0.04 2.15 2.17 2ok5A1 MET 244 HB3 -0.06 -0.09 0.00 -0.04 2.03 1.85 2ok5A1 MET 244 HG2 -0.10 -0.11 -0.41 -0.04 2.63 1.98 2ok5A1 MET 244 HG3 -0.04 0.16 -0.08 -0.04 2.56 2.57 2ok5A1 MET 244 HE3 -0.03 -0.02 -0.13 -0.04 2.10 1.89 2ok5A1 ASN 245 H -0.14 0.70 0.32 -0.55 8.53 8.86 2ok5A1 ASN 245 HA -0.22 0.26 1.05 -0.75 4.76 5.09 2ok5A1 ASN 245 HB2 0.09 0.02 0.10 -0.04 2.88 3.05 2ok5A1 ASN 245 HB3 -0.41 -0.05 -0.07 -0.04 2.79 2.21 2ok5A1 ASN 245 HD21 0.20 0.04 -0.09 -0.04 7.03 7.14 2ok5A1 ASN 245 HD22 0.47 -0.00 -0.09 -0.04 7.74 8.07 2ok5A1 ILE 246 H -0.40 0.73 0.31 -0.55 8.25 8.35 2ok5A1 ILE 246 HA 0.02 0.29 1.09 -0.75 4.18 4.82 2ok5A1 ILE 246 HB -0.42 -0.01 0.06 -0.04 1.89 1.48 2ok5A1 ILE 246 HG12 0.04 0.04 -0.10 -0.04 1.49 1.42 2ok5A1 ILE 246 HG13 -0.17 -0.05 -0.42 -0.04 1.21 0.53 2ok5A1 ILE 246 HG23 0.24 -0.02 -0.20 -0.04 0.93 0.90 2ok5A1 ILE 246 HD13 -0.05 0.00 -0.13 -0.04 0.88 0.66 2ok5A1 TYR 247 H 0.32 0.76 0.37 -0.55 8.29 9.19 2ok5A1 TYR 247 HA 0.17 0.10 0.94 -0.75 4.56 5.02 2ok5A1 TYR 247 HB2 0.15 -0.06 0.20 -0.04 3.06 3.31 2ok5A1 TYR 247 HB3 0.13 -0.05 -0.02 -0.04 2.98 3.01 2ok5A1 TYR 247 HD2 0.15 0.06 -0.13 -0.04 7.15 7.18 2ok5A1 TYR 247 HE2 0.23 0.01 -0.13 -0.04 6.85 6.93 2ok5A1 LEU 248 H 0.21 0.68 0.29 -0.55 8.37 9.01 2ok5A1 LEU 248 HA 0.17 0.17 0.90 -0.75 4.35 4.84 2ok5A1 LEU 248 HB2 0.07 -0.04 0.31 -0.04 1.64 1.94 2ok5A1 LEU 248 HB3 0.03 -0.04 0.05 -0.04 1.64 1.64 2ok5A1 LEU 248 HG 0.23 0.09 -0.06 -0.04 1.64 1.86 2ok5A1 LEU 248 HD13 -0.06 -0.01 -0.03 -0.04 0.93 0.79 2ok5A1 LEU 248 HD23 0.13 0.01 -0.12 -0.04 0.89 0.87 2ok5A1 VAL 249 H 0.18 0.76 0.37 -0.55 8.24 9.01 2ok5A1 VAL 249 HA 0.19 0.34 1.03 -0.75 4.13 4.94 2ok5A1 VAL 249 HB 0.21 -0.02 0.13 -0.04 2.12 2.40 2ok5A1 VAL 249 HG13 0.25 -0.03 -0.19 -0.04 0.97 0.96 2ok5A1 VAL 249 HG23 0.18 0.02 -0.23 -0.04 0.95 0.87 2ok5A1 LEU 250 H 0.17 0.73 0.45 -0.55 8.37 9.18 2ok5A1 LEU 250 HA 0.11 0.16 1.08 -0.75 4.35 4.95 2ok5A1 LEU 250 HB2 -0.11 -0.06 0.19 -0.04 1.64 1.62 2ok5A1 LEU 250 HB3 0.09 -0.03 -0.05 -0.04 1.64 1.60 2ok5A1 LEU 250 HG -0.06 0.07 -0.19 -0.04 1.64 1.41 2ok5A1 LEU 250 HD13 -0.37 0.00 -0.11 -0.04 0.93 0.41 2ok5A1 LEU 250 HD23 -0.03 0.01 -0.14 -0.04 0.89 0.70 2ok5A1 ASP 251 H 0.05 0.60 0.31 -0.55 8.40 8.81 2ok5A1 ASP 251 HA -0.87 0.17 0.81 -0.75 4.63 3.99 2ok5A1 ASP 251 HB2 -0.18 0.06 0.11 -0.04 2.71 2.66 2ok5A1 ASP 251 HB3 -0.03 0.14 0.42 -0.04 2.70 3.19 2ok5A1 GLY 252 H -0.07 0.69 0.38 -0.55 8.43 8.88 2ok5A1 GLY 252 HA2 -0.11 -0.05 0.56 -0.51 4.01 3.91 2ok5A1 GLY 252 HA3 0.11 0.11 0.29 -0.51 4.01 4.01 2ok5A1 SER 253 H -0.11 0.07 -0.16 -0.55 8.46 7.71 2ok5A1 SER 253 HA 0.09 0.14 0.42 -0.75 4.49 4.39 2ok5A1 SER 253 HB2 0.02 0.15 -0.01 -0.04 3.95 4.07 2ok5A1 SER 253 HB3 -0.02 0.04 0.15 -0.04 3.93 4.06 2ok5A1 ASP 254 H -0.09 -0.11 -0.42 -0.55 8.40 7.23 2ok5A1 ASP 254 HA -0.04 0.35 0.94 -0.75 4.63 5.13 2ok5A1 ASP 254 HB2 0.00 0.03 -0.12 -0.04 2.71 2.58 2ok5A1 ASP 254 HB3 -0.02 -0.24 0.15 -0.04 2.70 2.54 2ok5A1 SER 255 H -0.07 0.10 0.15 -0.55 8.46 8.10 2ok5A1 SER 255 HA -0.14 0.29 0.83 -0.75 4.49 4.71 2ok5A1 SER 255 HB2 -0.06 0.04 0.14 -0.04 3.95 4.02 2ok5A1 SER 255 HB3 -0.04 0.02 0.07 -0.04 3.93 3.93 2ok5A1 ILE 256 H -0.13 0.02 0.02 -0.55 8.25 7.62 2ok5A1 ILE 256 HA -0.09 0.08 0.44 -0.75 4.18 3.85 2ok5A1 ILE 256 HB -0.04 0.20 0.15 -0.04 1.89 2.16 2ok5A1 ILE 256 HG12 -0.01 0.00 -0.04 -0.04 1.49 1.40 2ok5A1 ILE 256 HG13 -0.02 -0.17 0.06 -0.04 1.21 1.04 2ok5A1 ILE 256 HG23 0.12 0.01 -0.11 -0.04 0.93 0.91 2ok5A1 ILE 256 HD13 0.04 0.06 -0.18 -0.04 0.88 0.75 2ok5A1 GLY 257 H -0.52 0.10 -0.35 -0.55 8.43 7.11 2ok5A1 GLY 257 HA2 -2.06 0.10 0.50 -0.51 4.01 2.03 2ok5A1 GLY 257 HA3 -1.48 0.14 0.25 -0.51 4.01 2.40 2ok5A1 ALA 258 H -0.35 0.33 -0.52 -0.55 8.40 7.31 2ok5A1 ALA 258 HA -0.20 0.01 0.36 -0.75 4.34 3.76 2ok5A1 ALA 258 HB3 -0.12 0.00 0.11 -0.04 1.41 1.36 2ok5A1 SER 259 H -0.08 0.13 0.19 -0.55 8.46 8.15 2ok5A1 SER 259 HA -0.04 0.05 0.37 -0.75 4.49 4.13 2ok5A1 SER 259 HB2 -0.05 0.01 0.08 -0.04 3.95 3.95 2ok5A1 SER 259 HB3 -0.03 0.08 0.20 -0.04 3.93 4.14 2ok5A1 ASN 260 H -0.05 0.10 0.02 -0.55 8.53 8.05 2ok5A1 ASN 260 HA 0.03 -0.08 0.35 -0.75 4.76 4.31 2ok5A1 ASN 260 HB2 0.01 0.11 -0.02 -0.04 2.88 2.93 2ok5A1 ASN 260 HB3 0.05 0.26 0.29 -0.04 2.79 3.34 2ok5A1 ASN 260 HD21 0.03 -0.01 0.02 -0.04 7.03 7.02 2ok5A1 ASN 260 HD22 0.01 0.06 -0.05 -0.04 7.74 7.72 2ok5A1 PHE 261 H -0.35 0.28 -0.45 -0.55 8.34 7.26 2ok5A1 PHE 261 HA -0.11 0.16 0.24 -0.75 4.62 4.16 2ok5A1 PHE 261 HB2 -0.14 0.29 -0.19 -0.04 3.15 3.06 2ok5A1 PHE 261 HB3 -0.12 -0.16 0.10 -0.04 3.06 2.84 2ok5A1 PHE 261 HD2 -0.07 0.03 -0.35 -0.04 7.28 6.85 2ok5A1 PHE 261 HE2 0.11 0.01 -0.30 -0.04 7.38 7.15 2ok5A1 PHE 261 HZ 0.20 -0.06 -0.04 -0.04 7.32 7.38 2ok5A1 THR 262 H -0.04 0.37 -0.35 -0.55 8.28 7.71 2ok5A1 THR 262 HA -0.03 0.15 0.30 -0.75 4.39 4.06 2ok5A1 THR 262 HB -0.04 -0.12 0.11 -0.04 4.32 4.23 2ok5A1 THR 262 HG23 -0.03 -0.02 -0.10 -0.04 1.22 1.03 2ok5A1 GLY 263 H -0.04 0.13 -0.14 -0.55 8.43 7.84 2ok5A1 GLY 263 HA2 -0.05 0.10 0.38 -0.51 4.01 3.93 2ok5A1 GLY 263 HA3 -0.05 -0.04 0.26 -0.51 4.01 3.68 2ok5A1 ALA 264 H -0.01 0.14 -0.18 -0.55 8.40 7.80 2ok5A1 ALA 264 HA -0.12 -0.03 0.33 -0.75 4.34 3.77 2ok5A1 ALA 264 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 2ok5A1 LYS 265 H -0.06 0.66 -0.22 -0.55 8.42 8.24 2ok5A1 LYS 265 HA -0.17 -0.02 0.43 -0.75 4.32 3.81 2ok5A1 LYS 265 HB2 -0.08 0.14 0.09 -0.04 1.87 1.98 2ok5A1 LYS 265 HB3 -0.12 -0.05 -0.07 -0.04 1.79 1.50 2ok5A1 LYS 265 HG2 -0.18 0.02 -0.10 -0.04 1.46 1.15 2ok5A1 LYS 265 HG3 -0.09 -0.00 0.00 -0.04 1.46 1.33 2ok5A1 LYS 265 HD2 -0.04 0.00 -0.22 -0.04 1.69 1.39 2ok5A1 LYS 265 HD3 -0.09 -0.09 -0.00 -0.04 1.68 1.46 2ok5A1 LYS 265 HE2 -0.19 -0.05 -0.04 -0.04 2.99 2.67 2ok5A1 LYS 265 HE3 -0.14 -0.13 -0.08 -0.04 2.99 2.61 2ok5A1 LYS 266 H -0.11 0.45 -0.14 -0.55 8.42 8.07 2ok5A1 LYS 266 HA -0.13 0.04 0.50 -0.75 4.32 3.98 2ok5A1 LYS 266 HB2 -0.12 0.15 0.23 -0.04 1.87 2.08 2ok5A1 LYS 266 HB3 -0.20 -0.03 -0.01 -0.04 1.79 1.51 2ok5A1 LYS 266 HG2 -0.03 -0.01 0.05 -0.04 1.46 1.43 2ok5A1 LYS 266 HG3 -0.05 0.12 0.08 -0.04 1.46 1.57 2ok5A1 LYS 266 HD2 -0.01 -0.07 0.02 -0.04 1.69 1.59 2ok5A1 LYS 266 HD3 0.09 0.03 0.01 -0.04 1.68 1.76 2ok5A1 LYS 266 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 2ok5A1 LYS 266 HE3 -0.02 0.04 -0.05 -0.04 2.99 2.92 2ok5A1 CYS 267 H -0.24 0.40 -0.11 -0.55 8.50 8.01 2ok5A1 CYS 267 HA -0.43 0.03 0.39 -0.75 4.58 3.81 2ok5A1 CYS 267 HB2 -0.39 0.14 0.16 -0.04 2.97 2.84 2ok5A1 CYS 267 HB3 -0.98 -0.02 -0.05 -0.04 2.97 1.88 2ok5A1 LEU 268 H -0.35 0.65 -0.05 -0.55 8.37 8.08 2ok5A1 LEU 268 HA -0.41 -0.04 0.30 -0.75 4.35 3.45 2ok5A1 LEU 268 HB2 -0.23 0.09 0.08 -0.04 1.64 1.54 2ok5A1 LEU 268 HB3 -0.22 -0.03 0.00 -0.04 1.64 1.35 2ok5A1 LEU 268 HG -0.28 0.19 0.07 -0.04 1.64 1.59 2ok5A1 LEU 268 HD13 -0.16 -0.02 -0.09 -0.04 0.93 0.62 2ok5A1 LEU 268 HD23 -0.28 -0.02 -0.08 -0.04 0.89 0.46 2ok5A1 VAL 269 H -0.21 0.72 -0.11 -0.55 8.24 8.08 2ok5A1 VAL 269 HA -0.15 -0.03 0.48 -0.75 4.13 3.68 2ok5A1 VAL 269 HB -0.13 0.14 0.17 -0.04 2.12 2.26 2ok5A1 VAL 269 HG13 -0.07 -0.02 -0.13 -0.04 0.97 0.71 2ok5A1 VAL 269 HG23 -0.12 0.02 0.05 -0.04 0.95 0.85 2ok5A1 ASN 270 H -0.19 0.54 -0.20 -0.55 8.53 8.13 2ok5A1 ASN 270 HA -0.03 -0.00 0.43 -0.75 4.76 4.40 2ok5A1 ASN 270 HB2 -0.16 0.15 0.16 -0.04 2.88 2.98 2ok5A1 ASN 270 HB3 0.02 0.04 -0.02 -0.04 2.79 2.79 2ok5A1 ASN 270 HD21 -0.15 -0.04 -0.05 -0.04 7.03 6.75 2ok5A1 ASN 270 HD22 -0.51 -0.04 -0.12 -0.04 7.74 7.02 2ok5A1 LEU 271 H -0.25 0.41 -0.13 -0.55 8.37 7.86 2ok5A1 LEU 271 HA 0.16 0.04 0.46 -0.75 4.35 4.25 2ok5A1 LEU 271 HB2 -0.40 -0.03 -0.00 -0.04 1.64 1.16 2ok5A1 LEU 271 HB3 -0.22 0.05 0.12 -0.04 1.64 1.55 2ok5A1 LEU 271 HG 0.13 0.03 -0.32 -0.04 1.64 1.44 2ok5A1 LEU 271 HD13 0.41 -0.01 -0.05 -0.04 0.93 1.24 2ok5A1 LEU 271 HD23 0.06 -0.01 -0.10 -0.04 0.89 0.79 2ok5A1 ILE 272 H -0.10 0.63 0.01 -0.55 8.25 8.24 2ok5A1 ILE 272 HA 0.09 0.01 0.40 -0.75 4.18 3.93 2ok5A1 ILE 272 HB -0.14 0.15 0.15 -0.04 1.89 2.01 2ok5A1 ILE 272 HG12 -0.77 -0.02 -0.01 -0.04 1.49 0.65 2ok5A1 ILE 272 HG13 -0.23 0.01 0.06 -0.04 1.21 1.00 2ok5A1 ILE 272 HG23 -0.10 0.00 -0.10 -0.04 0.93 0.69 2ok5A1 ILE 272 HD13 -0.36 -0.02 -0.13 -0.04 0.88 0.33 2ok5A1 GLU 273 H -0.02 0.47 -0.31 -0.55 8.60 8.20 2ok5A1 GLU 273 HA 0.01 -0.02 0.39 -0.75 4.29 3.91 2ok5A1 GLU 273 HB2 -0.02 0.06 0.09 -0.04 2.09 2.18 2ok5A1 GLU 273 HB3 0.01 0.14 0.11 -0.04 1.99 2.20 2ok5A1 GLU 273 HG2 -0.00 0.01 -0.09 -0.04 2.34 2.21 2ok5A1 GLU 273 HG3 -0.00 -0.07 0.01 -0.04 2.34 2.23 2ok5A1 LYS 274 H 0.06 0.48 -0.17 -0.55 8.42 8.24 2ok5A1 LYS 274 HA -0.02 0.03 0.49 -0.75 4.32 4.06 2ok5A1 LYS 274 HB2 0.11 0.07 0.10 -0.04 1.87 2.12 2ok5A1 LYS 274 HB3 0.18 0.07 0.17 -0.04 1.79 2.17 2ok5A1 LYS 274 HG2 0.20 -0.07 -0.09 -0.04 1.46 1.46 2ok5A1 LYS 274 HG3 0.26 -0.02 -0.17 -0.04 1.46 1.49 2ok5A1 LYS 274 HD2 -0.11 -0.05 0.06 -0.04 1.69 1.55 2ok5A1 LYS 274 HD3 0.03 0.04 -0.13 -0.04 1.68 1.58 2ok5A1 LYS 274 HE2 0.14 -0.05 -0.02 -0.04 2.99 3.02 2ok5A1 LYS 274 HE3 0.17 -0.05 -0.05 -0.04 2.99 3.01 2ok5A1 VAL 275 H 0.15 0.66 -0.04 -0.55 8.24 8.47 2ok5A1 VAL 275 HA 0.35 0.02 0.34 -0.75 4.13 4.09 2ok5A1 VAL 275 HB 0.22 0.07 0.10 -0.04 2.12 2.46 2ok5A1 VAL 275 HG13 0.15 -0.00 -0.15 -0.04 0.97 0.93 2ok5A1 VAL 275 HG23 0.22 0.01 -0.05 -0.04 0.95 1.09 2ok5A1 ALA 276 H 0.08 0.41 -0.32 -0.55 8.40 8.02 2ok5A1 ALA 276 HA 0.08 0.15 0.46 -0.75 4.34 4.27 2ok5A1 ALA 276 HB3 0.04 0.01 0.10 -0.04 1.41 1.53 2ok5A1 SER 277 H -0.08 0.40 -0.31 -0.55 8.46 7.92 2ok5A1 SER 277 HA -0.11 -0.03 0.48 -0.75 4.49 4.09 2ok5A1 SER 277 HB2 -0.25 -0.09 0.13 -0.04 3.95 3.70 2ok5A1 SER 277 HB3 -0.17 0.04 0.19 -0.04 3.93 3.94 2ok5A1 TYR 278 H -0.02 0.40 -0.51 -0.55 8.29 7.60 2ok5A1 TYR 278 HA -0.00 0.15 0.64 -0.75 4.56 4.59 2ok5A1 TYR 278 HB2 0.01 0.20 0.13 -0.04 3.06 3.35 2ok5A1 TYR 278 HB3 -0.00 -0.20 0.20 -0.04 2.98 2.94 2ok5A1 TYR 278 HD2 0.01 0.09 -0.04 -0.04 7.15 7.17 2ok5A1 TYR 278 HE2 -0.00 -0.08 -0.17 -0.04 6.85 6.56 2ok5A1 GLY 279 H 0.04 0.48 -0.33 -0.55 8.43 8.07 2ok5A1 GLY 279 HA2 0.03 0.00 0.31 -0.51 4.01 3.84 2ok5A1 GLY 279 HA3 0.04 0.02 0.37 -0.51 4.01 3.93 2ok5A1 VAL 280 H 0.09 0.09 -0.42 -0.55 8.24 7.45 2ok5A1 VAL 280 HA 0.03 0.11 0.70 -0.75 4.13 4.21 2ok5A1 VAL 280 HB 0.01 -0.05 -0.05 -0.04 2.12 1.99 2ok5A1 VAL 280 HG13 0.02 0.03 -0.05 -0.04 0.97 0.93 2ok5A1 VAL 280 HG23 0.08 -0.01 -0.08 -0.04 0.95 0.90 2ok5A1 LYS 281 H 0.01 0.13 0.06 -0.55 8.42 8.06 2ok5A1 LYS 281 HA 0.04 0.23 0.95 -0.75 4.32 4.79 2ok5A1 LYS 281 HB2 0.01 -0.05 0.17 -0.04 1.87 1.96 2ok5A1 LYS 281 HB3 0.02 0.02 0.17 -0.04 1.79 1.95 2ok5A1 LYS 281 HG2 0.04 0.03 0.03 -0.04 1.46 1.52 2ok5A1 LYS 281 HG3 0.03 0.05 -0.28 -0.04 1.46 1.22 2ok5A1 LYS 281 HD2 0.02 -0.03 -0.01 -0.04 1.69 1.63 2ok5A1 LYS 281 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 2ok5A1 LYS 281 HE2 0.01 -0.08 0.00 -0.04 2.99 2.88 2ok5A1 LYS 281 HE3 0.02 0.09 0.01 -0.04 2.99 3.07 2ok5A1 PRO 282 HA -0.11 0.13 0.63 -0.51 4.44 4.58 2ok5A1 PRO 282 HB2 -0.45 0.03 -0.15 -0.04 2.28 1.67 2ok5A1 PRO 282 HB3 -0.15 -0.02 -0.06 -0.04 2.02 1.75 2ok5A1 PRO 282 HG2 -0.32 -0.02 -0.07 -0.04 2.03 1.58 2ok5A1 PRO 282 HG3 -0.08 0.01 -0.10 -0.04 2.03 1.82 2ok5A1 PRO 282 HD2 0.06 0.15 0.05 -0.04 3.68 3.89 2ok5A1 PRO 282 HD3 0.01 0.07 -0.38 -0.04 3.65 3.31 2ok5A1 ARG 283 H -0.14 0.43 0.40 -0.55 8.46 8.59 2ok5A1 ARG 283 HA -0.02 0.15 0.54 -0.75 4.34 4.25 2ok5A1 ARG 283 HB2 -0.08 -0.08 0.14 -0.04 1.90 1.83 2ok5A1 ARG 283 HB3 -0.01 0.10 0.05 -0.04 1.80 1.89 2ok5A1 ARG 283 HG2 -0.02 -0.04 -0.05 -0.04 1.67 1.52 2ok5A1 ARG 283 HG3 -0.04 -0.01 0.07 -0.04 1.67 1.66 2ok5A1 ARG 283 HD2 0.01 0.25 0.05 -0.04 3.22 3.50 2ok5A1 ARG 283 HD3 0.01 -0.06 -0.01 -0.04 3.22 3.11 2ok5A1 TYR 284 H 0.17 0.53 0.22 -0.55 8.29 8.66 2ok5A1 TYR 284 HA -0.06 0.29 1.10 -0.75 4.56 5.14 2ok5A1 TYR 284 HB2 0.10 0.00 0.09 -0.04 3.06 3.21 2ok5A1 TYR 284 HB3 0.05 -0.03 -0.08 -0.04 2.98 2.88 2ok5A1 TYR 284 HD2 0.04 0.11 -0.03 -0.04 7.15 7.23 2ok5A1 TYR 284 HE2 0.04 -0.02 -0.09 -0.04 6.85 6.74 2ok5A1 GLY 285 H 0.01 0.70 0.39 -0.55 8.43 8.99 2ok5A1 GLY 285 HA2 0.18 0.16 0.52 -0.51 4.01 4.36 2ok5A1 GLY 285 HA3 0.18 -0.04 0.37 -0.51 4.01 4.01 2ok5A1 LEU 286 H 0.20 0.55 0.30 -0.55 8.37 8.86 2ok5A1 LEU 286 HA 0.15 0.30 0.94 -0.75 4.35 4.99 2ok5A1 LEU 286 HB2 0.07 0.08 -0.07 -0.04 1.64 1.68 2ok5A1 LEU 286 HB3 0.16 -0.14 0.13 -0.04 1.64 1.75 2ok5A1 LEU 286 HG 0.08 -0.09 -0.16 -0.04 1.64 1.43 2ok5A1 LEU 286 HD13 -0.06 0.07 0.04 -0.04 0.93 0.93 2ok5A1 LEU 286 HD23 -0.19 0.02 -0.07 -0.04 0.89 0.60 2ok5A1 VAL 287 H 0.18 0.77 0.36 -0.55 8.24 9.00 2ok5A1 VAL 287 HA 0.26 0.28 1.16 -0.75 4.13 5.07 2ok5A1 VAL 287 HB 0.18 -0.06 0.08 -0.04 2.12 2.28 2ok5A1 VAL 287 HG13 0.15 0.00 -0.15 -0.04 0.97 0.93 2ok5A1 VAL 287 HG23 0.15 -0.01 -0.19 -0.04 0.95 0.86 2ok5A1 THR 288 H 0.38 0.43 0.36 -0.55 8.28 8.91 2ok5A1 THR 288 HA 0.19 0.18 1.07 -0.75 4.39 5.07 2ok5A1 THR 288 HB 0.26 -0.04 0.15 -0.04 4.32 4.64 2ok5A1 THR 288 HG23 -0.47 0.00 -0.04 -0.04 1.22 0.67 2ok5A1 TYR 289 H 0.17 0.48 0.42 -0.55 8.29 8.82 2ok5A1 TYR 289 HA 0.17 0.22 0.72 -0.75 4.56 4.91 2ok5A1 TYR 289 HB2 0.10 0.06 -0.19 -0.04 3.06 3.00 2ok5A1 TYR 289 HB3 0.12 0.04 -0.35 -0.04 2.98 2.75 2ok5A1 TYR 289 HD2 0.09 0.16 -0.32 -0.04 7.15 7.04 2ok5A1 TYR 289 HE2 0.08 -0.04 -0.36 -0.04 6.85 6.48 2ok5A1 ALA 290 H 0.24 0.46 -0.01 -0.55 8.40 8.55 2ok5A1 ALA 290 HA 0.01 -0.02 0.50 -0.75 4.34 4.08 2ok5A1 ALA 290 HB3 0.13 0.06 0.21 -0.04 1.41 1.77 2ok5A1 THR 291 H 0.02 0.17 0.16 -0.55 8.28 8.08 2ok5A1 THR 291 HA -0.13 0.00 0.39 -0.75 4.39 3.89 2ok5A1 THR 291 HB -0.29 -0.03 0.04 -0.04 4.32 4.00 2ok5A1 THR 291 HG23 -0.62 -0.00 -0.04 -0.04 1.22 0.52 2ok5A1 TYR 292 H 0.07 0.07 -0.04 -0.55 8.29 7.84 2ok5A1 TYR 292 HA 0.06 0.22 0.74 -0.75 4.56 4.82 2ok5A1 TYR 292 HB2 0.03 -0.04 -0.05 -0.04 3.06 2.97 2ok5A1 TYR 292 HB3 0.02 0.13 0.07 -0.04 2.98 3.15 2ok5A1 TYR 292 HD2 0.02 0.01 -0.02 -0.04 7.15 7.11 2ok5A1 TYR 292 HE2 0.01 -0.00 -0.04 -0.04 6.85 6.78 2ok5A1 PRO 293 HA 0.22 0.15 0.90 -0.51 4.44 5.21 2ok5A1 PRO 293 HB2 0.07 0.06 -0.10 -0.04 2.28 2.27 2ok5A1 PRO 293 HB3 0.06 -0.04 -0.08 -0.04 2.02 1.92 2ok5A1 PRO 293 HG2 0.05 0.05 0.00 -0.04 2.03 2.09 2ok5A1 PRO 293 HG3 0.04 0.10 -0.22 -0.04 2.03 1.91 2ok5A1 PRO 293 HD2 0.16 0.11 0.18 -0.04 3.68 4.09 2ok5A1 PRO 293 HD3 0.16 0.11 0.13 -0.04 3.65 4.00 2ok5A1 LYS 294 H 0.13 0.88 0.42 -0.55 8.42 9.30 2ok5A1 LYS 294 HA -0.15 0.15 0.84 -0.75 4.32 4.40 2ok5A1 LYS 294 HB2 -0.13 0.00 -0.02 -0.04 1.87 1.69 2ok5A1 LYS 294 HB3 -0.01 -0.04 0.16 -0.04 1.79 1.86 2ok5A1 LYS 294 HG2 -1.30 -0.02 -0.05 -0.04 1.46 0.04 2ok5A1 LYS 294 HG3 -1.42 0.01 -0.40 -0.04 1.46 -0.39 2ok5A1 LYS 294 HD2 -0.45 0.01 0.05 -0.04 1.69 1.26 2ok5A1 LYS 294 HD3 -0.43 -0.04 -0.00 -0.04 1.68 1.16 2ok5A1 LYS 294 HE2 -1.47 0.05 -0.11 -0.04 2.99 1.42 2ok5A1 LYS 294 HE3 -0.53 0.01 -0.01 -0.04 2.99 2.43 2ok5A1 ILE 295 H -0.15 0.19 0.08 -0.55 8.25 7.82 2ok5A1 ILE 295 HA 0.05 0.20 1.05 -0.75 4.18 4.72 2ok5A1 ILE 295 HB -0.03 -0.01 0.13 -0.04 1.89 1.94 2ok5A1 ILE 295 HG12 0.07 0.04 -0.05 -0.04 1.49 1.52 2ok5A1 ILE 295 HG13 0.02 -0.10 -0.15 -0.04 1.21 0.94 2ok5A1 ILE 295 HG23 0.09 0.02 -0.23 -0.04 0.93 0.77 2ok5A1 ILE 295 HD13 0.03 0.00 -0.01 -0.04 0.88 0.86 2ok5A1 TRP 296 H 0.28 0.56 0.31 -0.55 7.97 8.57 2ok5A1 TRP 296 HA 0.01 0.14 0.81 -0.75 4.62 4.83 2ok5A1 TRP 296 HB2 -0.03 -0.00 0.05 -0.04 3.23 3.20 2ok5A1 TRP 296 HB3 -0.05 0.03 -0.02 -0.04 3.23 3.15 2ok5A1 TRP 296 HD1 -0.04 -0.01 -0.10 -0.04 7.22 7.04 2ok5A1 TRP 296 HE1 -0.04 -0.07 0.02 -0.04 10.20 10.07 2ok5A1 TRP 296 HE3 -0.03 0.04 -0.00 -0.04 7.59 7.55 2ok5A1 TRP 296 HZ2 0.08 0.14 0.09 -0.04 7.44 7.70 2ok5A1 TRP 296 HZ3 -0.01 0.05 -0.02 -0.04 7.13 7.11 2ok5A1 TRP 296 HH2 0.04 0.01 0.04 -0.04 7.19 7.24 2ok5A1 VAL 297 H 0.25 0.35 0.29 -0.55 8.24 8.58 2ok5A1 VAL 297 HA 0.24 0.16 0.79 -0.75 4.13 4.57 2ok5A1 VAL 297 HB 0.19 -0.11 -0.03 -0.04 2.12 2.12 2ok5A1 VAL 297 HG13 0.37 0.05 -0.13 -0.04 0.97 1.23 2ok5A1 VAL 297 HG23 0.06 0.01 -0.20 -0.04 0.95 0.77 2ok5A1 LYS 298 H 0.21 0.19 0.16 -0.55 8.42 8.43 2ok5A1 LYS 298 HA 0.16 0.14 0.86 -0.75 4.32 4.72 2ok5A1 LYS 298 HB2 0.11 0.03 -0.06 -0.04 1.87 1.92 2ok5A1 LYS 298 HB3 0.12 -0.06 0.11 -0.04 1.79 1.92 2ok5A1 LYS 298 HG2 0.11 -0.08 0.01 -0.04 1.46 1.45 2ok5A1 LYS 298 HG3 0.10 0.06 0.04 -0.04 1.46 1.62 2ok5A1 LYS 298 HD2 0.06 0.01 -0.04 -0.04 1.69 1.69 2ok5A1 LYS 298 HD3 0.07 -0.05 -0.04 -0.04 1.68 1.63 2ok5A1 LYS 298 HE2 0.05 -0.00 -0.03 -0.04 2.99 2.97 2ok5A1 LYS 298 HE3 0.07 -0.00 -0.01 -0.04 2.99 3.00 2ok5A1 VAL 299 H 0.15 0.17 0.14 -0.55 8.24 8.15 2ok5A1 VAL 299 HA 0.08 0.23 0.10 -0.75 4.13 3.79 2ok5A1 VAL 299 HB 0.05 0.05 -0.09 -0.04 2.12 2.08 2ok5A1 VAL 299 HG13 -0.17 -0.02 -0.39 -0.04 0.97 0.35 2ok5A1 VAL 299 HG23 0.23 0.01 -0.07 -0.04 0.95 1.08 2ok5A1 SER 300 H 0.10 -0.00 -0.35 -0.55 8.46 7.66 2ok5A1 SER 300 HA 0.06 0.18 0.41 -0.75 4.49 4.39 2ok5A1 SER 300 HB2 0.07 0.03 0.09 -0.04 3.95 4.09 2ok5A1 SER 300 HB3 0.09 0.11 0.06 -0.04 3.93 4.16 2ok5A1 GLU 301 H 0.07 0.37 -0.31 -0.55 8.60 8.18 2ok5A1 GLU 301 HA 0.00 0.01 0.46 -0.75 4.29 4.01 2ok5A1 GLU 301 HB2 0.08 0.33 0.20 -0.04 2.09 2.65 2ok5A1 GLU 301 HB3 -0.10 -0.25 0.00 -0.04 1.99 1.60 2ok5A1 GLU 301 HG2 0.06 -0.01 0.09 -0.04 2.34 2.44 2ok5A1 GLU 301 HG3 0.12 -0.01 0.10 -0.04 2.34 2.51 2ok5A1 ALA 302 H -0.08 0.12 0.21 -0.55 8.40 8.10 2ok5A1 ALA 302 HA -0.09 0.17 0.43 -0.75 4.34 4.10 2ok5A1 ALA 302 HB3 -0.11 0.00 0.12 -0.04 1.41 1.38 2ok5A1 ASP 303 H -0.45 0.03 -0.26 -0.55 8.40 7.17 2ok5A1 ASP 303 HA -0.41 0.23 0.82 -0.75 4.63 4.52 2ok5A1 ASP 303 HB2 -2.06 0.01 0.03 -0.04 2.71 0.64 2ok5A1 ASP 303 HB3 -2.04 -0.02 0.12 -0.04 2.70 0.72 2ok5A1 SER 304 H -0.16 0.46 -0.30 -0.55 8.46 7.91 2ok5A1 SER 304 HA 0.26 0.02 0.27 -0.75 4.49 4.30 2ok5A1 SER 304 HB2 0.18 0.15 0.18 -0.04 3.95 4.41 2ok5A1 SER 304 HB3 0.11 -0.06 0.13 -0.04 3.93 4.06 2ok5A1 SER 305 H -0.03 0.09 -0.51 -0.55 8.46 7.47 2ok5A1 SER 305 HA 0.10 0.50 0.85 -0.75 4.49 5.18 2ok5A1 SER 305 HB2 0.01 0.08 -0.02 -0.04 3.95 3.98 2ok5A1 SER 305 HB3 -0.00 0.00 -0.13 -0.04 3.93 3.76 2ok5A1 ASN 306 H 0.06 0.51 -0.18 -0.55 8.53 8.37 2ok5A1 ASN 306 HA 0.08 0.12 0.79 -0.75 4.76 5.00 2ok5A1 ASN 306 HB2 -0.03 0.05 0.13 -0.04 2.88 2.99 2ok5A1 ASN 306 HB3 0.09 0.09 0.27 -0.04 2.79 3.20 2ok5A1 ASN 306 HD21 0.08 0.01 0.02 -0.04 7.03 7.09 2ok5A1 ASN 306 HD22 -0.01 0.06 0.05 -0.04 7.74 7.80 2ok5A1 ALA 307 H 0.12 0.33 0.12 -0.55 8.40 8.43 2ok5A1 ALA 307 HA 0.11 0.12 0.27 -0.75 4.34 4.08 2ok5A1 ALA 307 HB3 0.09 0.05 0.06 -0.04 1.41 1.57 2ok5A1 ASP 308 H 0.09 0.09 -0.17 -0.55 8.40 7.87 2ok5A1 ASP 308 HA 0.02 0.13 0.45 -0.75 4.63 4.49 2ok5A1 ASP 308 HB2 0.06 0.02 0.08 -0.04 2.71 2.83 2ok5A1 ASP 308 HB3 0.09 0.00 -0.04 -0.04 2.70 2.72 2ok5A1 TRP 309 H 0.28 0.08 -0.17 -0.55 7.97 7.61 2ok5A1 TRP 309 HA -0.00 0.05 0.54 -0.75 4.62 4.45 2ok5A1 TRP 309 HB2 0.01 -0.05 0.11 -0.04 3.23 3.26 2ok5A1 TRP 309 HB3 0.02 0.22 0.15 -0.04 3.23 3.58 2ok5A1 TRP 309 HD1 0.01 -0.01 0.02 -0.04 7.22 7.20 2ok5A1 TRP 309 HE1 0.02 -0.00 -0.01 -0.04 10.20 10.17 2ok5A1 TRP 309 HE3 0.03 0.16 -0.27 -0.04 7.59 7.48 2ok5A1 TRP 309 HZ2 0.04 0.00 -0.02 -0.04 7.44 7.43 2ok5A1 TRP 309 HZ3 0.06 0.03 -0.16 -0.04 7.13 7.03 2ok5A1 TRP 309 HH2 0.06 -0.00 -0.01 -0.04 7.19 7.19 2ok5A1 VAL 310 H 0.31 0.68 -0.11 -0.55 8.24 8.57 2ok5A1 VAL 310 HA -0.08 -0.00 0.39 -0.75 4.13 3.68 2ok5A1 VAL 310 HB -0.01 0.09 0.04 -0.04 2.12 2.20 2ok5A1 VAL 310 HG13 -0.23 -0.02 -0.16 -0.04 0.97 0.52 2ok5A1 VAL 310 HG23 0.45 0.08 -0.04 -0.04 0.95 1.40 2ok5A1 THR 311 H -0.06 0.49 -0.24 -0.55 8.28 7.92 2ok5A1 THR 311 HA -0.17 0.01 0.43 -0.75 4.39 3.91 2ok5A1 THR 311 HB -0.06 0.06 0.21 -0.04 4.32 4.48 2ok5A1 THR 311 HG23 -0.08 -0.02 -0.11 -0.04 1.22 0.97 2ok5A1 LYS 312 H -0.13 0.45 -0.21 -0.55 8.42 7.97 2ok5A1 LYS 312 HA -0.14 0.04 0.50 -0.75 4.32 3.97 2ok5A1 LYS 312 HB2 -0.23 0.10 0.15 -0.04 1.87 1.85 2ok5A1 LYS 312 HB3 -0.17 -0.05 0.00 -0.04 1.79 1.54 2ok5A1 LYS 312 HG2 -0.07 -0.04 0.02 -0.04 1.46 1.33 2ok5A1 LYS 312 HG3 -0.06 0.16 0.08 -0.04 1.46 1.60 2ok5A1 LYS 312 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.59 2ok5A1 LYS 312 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 2ok5A1 LYS 312 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2ok5A1 LYS 312 HE3 0.00 0.03 -0.05 -0.04 2.99 2.93 2ok5A1 GLN 313 H -0.41 0.41 -0.27 -0.55 8.47 7.66 2ok5A1 GLN 313 HA -0.33 0.03 0.39 -0.75 4.36 3.69 2ok5A1 GLN 313 HB2 -0.44 0.10 0.12 -0.04 2.15 1.89 2ok5A1 GLN 313 HB3 -0.32 -0.03 -0.04 -0.04 2.02 1.58 2ok5A1 GLN 313 HG2 -1.34 0.15 0.04 -0.04 2.40 1.21 2ok5A1 GLN 313 HG3 -1.91 -0.06 -0.05 -0.04 2.39 0.33 2ok5A1 GLN 313 HE21 -0.23 -0.03 -0.02 -0.04 6.97 6.65 2ok5A1 GLN 313 HE22 -0.96 0.00 -0.03 -0.04 7.69 6.66 2ok5A1 LEU 314 H -0.25 0.64 -0.07 -0.55 8.37 8.14 2ok5A1 LEU 314 HA -0.32 -0.04 0.40 -0.75 4.35 3.63 2ok5A1 LEU 314 HB2 -0.22 -0.04 0.05 -0.04 1.64 1.39 2ok5A1 LEU 314 HB3 -0.21 0.15 0.15 -0.04 1.64 1.68 2ok5A1 LEU 314 HG -0.21 0.06 -0.29 -0.04 1.64 1.15 2ok5A1 LEU 314 HD13 -0.25 -0.03 -0.06 -0.04 0.93 0.55 2ok5A1 LEU 314 HD23 -0.21 -0.02 -0.11 -0.04 0.89 0.52 2ok5A1 ASN 315 H -0.20 0.49 -0.23 -0.55 8.53 8.04 2ok5A1 ASN 315 HA -0.16 0.01 0.37 -0.75 4.76 4.22 2ok5A1 ASN 315 HB2 -0.13 0.11 0.14 -0.04 2.88 2.96 2ok5A1 ASN 315 HB3 -0.11 -0.05 0.04 -0.04 2.79 2.62 2ok5A1 ASN 315 HD21 -0.08 -0.06 -0.03 -0.04 7.03 6.82 2ok5A1 ASN 315 HD22 -0.09 -0.02 -0.05 -0.04 7.74 7.54 2ok5A1 GLU 316 H -0.23 0.26 -0.75 -0.55 8.60 7.33 2ok5A1 GLU 316 HA -0.13 0.08 0.62 -0.75 4.29 4.11 2ok5A1 GLU 316 HB2 -0.17 0.19 0.14 -0.04 2.09 2.20 2ok5A1 GLU 316 HB3 -0.11 -0.09 -0.00 -0.04 1.99 1.74 2ok5A1 GLU 316 HG2 -0.06 -0.10 0.01 -0.04 2.34 2.15 2ok5A1 GLU 316 HG3 -0.07 -0.03 0.04 -0.04 2.34 2.24 2ok5A1 ILE 317 H -0.44 0.33 -0.16 -0.55 8.25 7.43 2ok5A1 ILE 317 HA -1.27 -0.03 0.34 -0.75 4.18 2.47 2ok5A1 ILE 317 HB -2.15 -0.13 0.07 -0.04 1.89 -0.36 2ok5A1 ILE 317 HG12 -0.47 0.29 0.03 -0.04 1.49 1.31 2ok5A1 ILE 317 HG13 -0.49 -0.07 -0.37 -0.04 1.21 0.24 2ok5A1 ILE 317 HG23 -1.02 0.01 0.07 -0.04 0.93 -0.04 2ok5A1 ILE 317 HD13 -0.72 -0.06 -0.06 -0.04 0.88 -0.01 2ok5A1 ASN 318 H -0.40 0.12 0.18 -0.55 8.53 7.89 2ok5A1 ASN 318 HA 0.15 0.18 0.66 -0.75 4.76 4.99 2ok5A1 ASN 318 HB2 0.13 -0.08 0.08 -0.04 2.88 2.97 2ok5A1 ASN 318 HB3 0.04 0.22 -0.11 -0.04 2.79 2.90 2ok5A1 ASN 318 HD21 0.20 -0.06 -0.05 -0.04 7.03 7.09 2ok5A1 ASN 318 HD22 0.08 0.17 -0.07 -0.04 7.74 7.87 2ok5A1 TYR 319 H 0.23 0.27 0.19 -0.55 8.29 8.43 2ok5A1 TYR 319 HA 0.25 0.04 0.79 -0.75 4.56 4.88 2ok5A1 TYR 319 HB2 -0.16 -0.00 -0.05 -0.04 3.06 2.81 2ok5A1 TYR 319 HB3 -0.12 -0.01 0.15 -0.04 2.98 2.97 2ok5A1 TYR 319 HD2 0.07 -0.02 -0.07 -0.04 7.15 7.08 2ok5A1 TYR 319 HE2 0.01 -0.05 -0.10 -0.04 6.85 6.67 2ok5A1 GLU 320 H -0.10 0.20 0.01 -0.55 8.60 8.16 2ok5A1 GLU 320 HA -0.33 0.11 0.25 -0.75 4.29 3.56 2ok5A1 GLU 320 HB2 -1.06 0.02 0.00 -0.04 2.09 1.01 2ok5A1 GLU 320 HB3 -0.29 0.06 0.09 -0.04 1.99 1.81 2ok5A1 GLU 320 HG2 -0.19 0.02 0.08 -0.04 2.34 2.22 2ok5A1 GLU 320 HG3 -0.60 -0.01 0.10 -0.04 2.34 1.79 2ok5A1 GLY 327 HA2 0.02 -0.01 0.18 -0.51 4.01 3.69 2ok5A1 GLY 327 HA3 -0.01 -0.02 0.10 -0.51 4.01 3.58 2ok5A1 THR 328 H 0.05 0.21 0.02 -0.55 8.28 8.01 2ok5A1 THR 328 HA 0.11 0.18 0.80 -0.75 4.39 4.73 2ok5A1 THR 328 HB 0.11 0.24 0.06 -0.04 4.32 4.69 2ok5A1 THR 328 HG23 0.16 -0.08 -0.13 -0.04 1.22 1.14 2ok5A1 ASN 329 H 0.20 0.87 0.00 -0.55 8.53 9.06 2ok5A1 ASN 329 HA 0.06 0.29 1.07 -0.75 4.76 5.43 2ok5A1 ASN 329 HB2 -0.02 0.02 0.08 -0.04 2.88 2.92 2ok5A1 ASN 329 HB3 0.04 0.06 0.15 -0.04 2.79 2.99 2ok5A1 ASN 329 HD21 -0.01 -0.01 0.06 -0.04 7.03 7.03 2ok5A1 ASN 329 HD22 -0.05 0.07 0.04 -0.04 7.74 7.76 2ok5A1 THR 330 H 0.08 0.29 0.02 -0.55 8.28 8.12 2ok5A1 THR 330 HA -0.47 0.08 0.29 -0.75 4.39 3.54 2ok5A1 THR 330 HB 0.01 0.03 0.06 -0.04 4.32 4.38 2ok5A1 THR 330 HG23 -0.01 0.02 -0.10 -0.04 1.22 1.10 2ok5A1 LYS 331 H -0.04 0.23 -0.07 -0.55 8.42 7.98 2ok5A1 LYS 331 HA -0.07 0.03 0.38 -0.75 4.32 3.91 2ok5A1 LYS 331 HB2 -0.04 0.06 -0.21 -0.04 1.87 1.64 2ok5A1 LYS 331 HB3 -0.03 0.08 -0.05 -0.04 1.79 1.74 2ok5A1 LYS 331 HG2 -0.05 0.03 -0.27 -0.04 1.46 1.12 2ok5A1 LYS 331 HG3 -0.06 -0.07 -0.09 -0.04 1.46 1.20 2ok5A1 LYS 331 HD2 -0.04 -0.06 -0.31 -0.04 1.69 1.23 2ok5A1 LYS 331 HD3 -0.03 0.25 -0.04 -0.04 1.68 1.82 2ok5A1 LYS 331 HE2 -0.05 0.02 -0.08 -0.04 2.99 2.84 2ok5A1 LYS 331 HE3 -0.07 -0.04 -0.11 -0.04 2.99 2.73 2ok5A1 LYS 332 H -0.06 0.16 -0.36 -0.55 8.42 7.61 2ok5A1 LYS 332 HA -0.04 0.06 0.35 -0.75 4.32 3.94 2ok5A1 LYS 332 HB2 -0.01 0.14 0.05 -0.04 1.87 2.02 2ok5A1 LYS 332 HB3 0.03 0.01 -0.01 -0.04 1.79 1.77 2ok5A1 LYS 332 HG2 0.02 -0.00 0.02 -0.04 1.46 1.46 2ok5A1 LYS 332 HG3 0.01 -0.03 0.02 -0.04 1.46 1.42 2ok5A1 LYS 332 HD2 0.06 0.14 0.10 -0.04 1.69 1.95 2ok5A1 LYS 332 HD3 0.16 -0.02 0.07 -0.04 1.68 1.85 2ok5A1 LYS 332 HE2 0.10 -0.01 0.02 -0.04 2.99 3.05 2ok5A1 LYS 332 HE3 0.06 -0.02 0.03 -0.04 2.99 3.02 2ok5A1 ALA 333 H -0.29 0.30 -0.30 -0.55 8.40 7.56 2ok5A1 ALA 333 HA -0.13 0.03 0.39 -0.75 4.34 3.87 2ok5A1 ALA 333 HB3 -0.86 0.03 -0.01 -0.04 1.41 0.52 2ok5A1 LEU 334 H -0.15 0.54 -0.16 -0.55 8.37 8.05 2ok5A1 LEU 334 HA -0.06 0.06 0.48 -0.75 4.35 4.08 2ok5A1 LEU 334 HB2 -0.07 0.08 0.09 -0.04 1.64 1.69 2ok5A1 LEU 334 HB3 -0.05 -0.01 -0.00 -0.04 1.64 1.54 2ok5A1 LEU 334 HG -0.09 0.09 -0.03 -0.04 1.64 1.56 2ok5A1 LEU 334 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.79 2ok5A1 LEU 334 HD23 -0.01 0.00 -0.11 -0.04 0.89 0.73 2ok5A1 GLN 335 H -0.06 0.46 -0.16 -0.55 8.47 8.16 2ok5A1 GLN 335 HA -0.01 0.04 0.60 -0.75 4.36 4.23 2ok5A1 GLN 335 HB2 -0.04 0.07 0.12 -0.04 2.15 2.27 2ok5A1 GLN 335 HB3 -0.03 -0.01 -0.00 -0.04 2.02 1.94 2ok5A1 GLN 335 HG2 -0.14 -0.01 0.00 -0.04 2.40 2.21 2ok5A1 GLN 335 HG3 -0.09 0.08 -0.02 -0.04 2.39 2.32 2ok5A1 GLN 335 HE21 -0.07 -0.01 -0.06 -0.04 6.97 6.79 2ok5A1 GLN 335 HE22 -0.12 -0.00 -0.06 -0.04 7.69 7.47 2ok5A1 ALA 336 H -0.01 0.43 -0.27 -0.55 8.40 8.00 2ok5A1 ALA 336 HA 0.03 0.05 0.56 -0.75 4.34 4.23 2ok5A1 ALA 336 HB3 0.03 0.05 0.05 -0.04 1.41 1.50 2ok5A1 VAL 337 H -0.00 0.25 -0.29 -0.55 8.24 7.65 2ok5A1 VAL 337 HA 0.00 0.03 0.47 -0.75 4.13 3.88 2ok5A1 VAL 337 HB -0.08 0.12 0.17 -0.04 2.12 2.29 2ok5A1 VAL 337 HG13 -0.53 0.00 -0.14 -0.04 0.97 0.26 2ok5A1 VAL 337 HG23 0.04 0.03 -0.04 -0.04 0.95 0.94 2ok5A1 TYR 338 H 0.05 0.66 0.03 -0.55 8.29 8.48 2ok5A1 TYR 338 HA -0.18 0.06 0.43 -0.75 4.56 4.11 2ok5A1 TYR 338 HB2 -0.12 0.03 0.11 -0.04 3.06 3.03 2ok5A1 TYR 338 HB3 -0.10 0.06 0.13 -0.04 2.98 3.03 2ok5A1 TYR 338 HD2 -0.13 0.03 -0.19 -0.04 7.15 6.82 2ok5A1 TYR 338 HE2 -0.16 0.09 -0.13 -0.04 6.85 6.61 2ok5A1 SER 339 H 0.07 0.35 -0.50 -0.55 8.46 7.83 2ok5A1 SER 339 HA -0.02 0.02 0.28 -0.75 4.49 4.03 2ok5A1 SER 339 HB2 0.03 -0.05 0.05 -0.04 3.95 3.94 2ok5A1 SER 339 HB3 0.07 0.09 0.11 -0.04 3.93 4.16 2ok5A1 MET 340 H 0.02 0.31 -0.31 -0.55 8.47 7.93 2ok5A1 MET 340 HA 0.08 -0.01 0.56 -0.75 4.52 4.40 2ok5A1 MET 340 HB2 0.14 0.22 0.18 -0.04 2.15 2.64 2ok5A1 MET 340 HB3 0.28 -0.08 -0.01 -0.04 2.03 2.18 2ok5A1 MET 340 HG2 0.15 -0.21 0.13 -0.04 2.63 2.66 2ok5A1 MET 340 HG3 0.11 0.09 0.06 -0.04 2.56 2.78 2ok5A1 MET 340 HE3 0.33 0.00 0.10 -0.04 2.10 2.49 2ok5A1 MET 341 H -0.14 0.26 -0.33 -0.55 8.47 7.72 2ok5A1 MET 341 HA 0.09 0.03 0.46 -0.75 4.52 4.35 2ok5A1 MET 341 HB2 -0.42 0.09 0.20 -0.04 2.15 1.98 2ok5A1 MET 341 HB3 -0.42 -0.03 -0.09 -0.04 2.03 1.45 2ok5A1 MET 341 HG2 -0.14 0.01 -0.04 -0.04 2.63 2.42 2ok5A1 MET 341 HG3 -0.25 -0.01 -0.06 -0.04 2.56 2.20 2ok5A1 MET 341 HE3 -0.42 -0.02 -0.11 -0.04 2.10 1.51 2ok5A1 SER 342 H -0.40 0.30 -0.04 -0.55 8.46 7.77 2ok5A1 SER 342 HA -1.06 0.01 0.13 -0.75 4.49 2.80 2ok5A1 SER 342 HB2 -0.49 -0.09 0.09 -0.04 3.95 3.42 2ok5A1 SER 342 HB3 -0.99 -0.00 0.07 -0.04 3.93 2.96 2ok5A1 TRP 343 H -0.60 0.10 0.05 -0.55 7.97 6.97 2ok5A1 TRP 343 HA -0.04 0.18 0.58 -0.75 4.62 4.58 2ok5A1 TRP 343 HB2 -0.06 0.06 0.17 -0.04 3.23 3.36 2ok5A1 TRP 343 HB3 -0.04 0.16 -0.08 -0.04 3.23 3.23 2ok5A1 TRP 343 HD1 -0.17 0.01 -0.16 -0.04 7.22 6.86 2ok5A1 TRP 343 HE1 -0.41 -0.01 -0.07 -0.04 10.20 9.68 2ok5A1 TRP 343 HE3 0.02 0.16 -0.07 -0.04 7.59 7.66 2ok5A1 TRP 343 HZ2 -0.64 0.15 -0.00 -0.04 7.44 6.91 2ok5A1 TRP 343 HZ3 0.19 0.05 -0.01 -0.04 7.13 7.31 2ok5A1 TRP 343 HH2 0.33 0.07 -0.11 -0.04 7.19 7.44 2ok5A1 VAL 347 HA -0.01 -0.09 0.32 -0.75 4.13 3.60 2ok5A1 VAL 347 HB -0.02 0.04 -0.05 -0.04 2.12 2.05 2ok5A1 VAL 347 HG13 0.05 -0.02 0.63 -0.04 0.97 1.59 2ok5A1 VAL 347 HG23 -0.01 -0.02 0.08 -0.04 0.95 0.96 2ok5A1 PRO 348 HA -0.84 0.11 0.78 -0.51 4.44 3.97 2ok5A1 PRO 348 HB2 -1.43 0.05 -0.05 -0.04 2.28 0.81 2ok5A1 PRO 348 HB3 -1.73 0.03 0.03 -0.04 2.02 0.31 2ok5A1 PRO 348 HG2 -0.50 -0.01 0.03 -0.04 2.03 1.51 2ok5A1 PRO 348 HG3 -0.40 0.01 -0.02 -0.04 2.03 1.59 2ok5A1 PRO 348 HD2 -0.19 0.05 0.18 -0.04 3.68 3.69 2ok5A1 PRO 348 HD3 -0.14 0.08 0.17 -0.04 3.65 3.71 2ok5A1 PRO 349 HA -0.10 0.05 0.43 -0.51 4.44 4.31 2ok5A1 PRO 349 HB2 -0.04 0.13 -0.03 -0.04 2.28 2.30 2ok5A1 PRO 349 HB3 -0.05 0.00 0.09 -0.04 2.02 2.02 2ok5A1 PRO 349 HG2 -0.23 0.02 -0.03 -0.04 2.03 1.76 2ok5A1 PRO 349 HG3 -0.02 0.10 0.05 -0.04 2.03 2.12 2ok5A1 PRO 349 HD2 -1.70 0.09 0.19 -0.04 3.68 2.21 2ok5A1 PRO 349 HD3 -0.42 0.12 0.25 -0.04 3.65 3.56 2ok5A1 GLU 350 H -0.03 0.09 0.15 -0.55 8.60 8.27 2ok5A1 GLU 350 HA 0.01 0.01 0.55 -0.75 4.29 4.11 2ok5A1 GLU 350 HB2 -0.02 0.01 0.15 -0.04 2.09 2.19 2ok5A1 GLU 350 HB3 -0.02 0.01 0.13 -0.04 1.99 2.07 2ok5A1 GLU 350 HG2 -0.03 -0.01 -0.01 -0.04 2.34 2.26 2ok5A1 GLU 350 HG3 -0.04 0.06 -0.19 -0.04 2.34 2.13 2ok5A1 GLY 351 H -0.11 0.10 0.21 -0.55 8.43 8.08 2ok5A1 GLY 351 HA2 -0.17 -0.00 0.33 -0.51 4.01 3.65 2ok5A1 GLY 351 HA3 -0.07 0.17 0.43 -0.51 4.01 4.03 2ok5A1 TRP 352 H -0.06 0.27 -0.11 -0.55 7.97 7.52 2ok5A1 TRP 352 HA -0.11 0.14 0.49 -0.75 4.62 4.39 2ok5A1 TRP 352 HB2 -1.00 0.05 0.04 -0.04 3.23 2.27 2ok5A1 TRP 352 HB3 -0.80 0.11 0.04 -0.04 3.23 2.54 2ok5A1 TRP 352 HD1 -0.36 0.44 0.03 -0.04 7.22 7.28 2ok5A1 TRP 352 HE1 -0.20 -0.04 -0.02 -0.04 10.20 9.90 2ok5A1 TRP 352 HE3 0.25 0.03 -0.26 -0.04 7.59 7.56 2ok5A1 TRP 352 HZ2 -0.15 -0.06 -0.02 -0.04 7.44 7.16 2ok5A1 TRP 352 HZ3 0.20 0.11 -0.22 -0.04 7.13 7.18 2ok5A1 TRP 352 HH2 -0.10 -0.01 -0.07 -0.04 7.19 6.96 2ok5A1 ASN 353 H -1.22 -0.01 -0.10 -0.55 8.53 6.65 2ok5A1 ASN 353 HA -0.59 0.31 0.59 -0.75 4.76 4.31 2ok5A1 ASN 353 HB2 -0.94 0.06 0.15 -0.04 2.88 2.11 2ok5A1 ASN 353 HB3 -2.74 0.03 0.04 -0.04 2.79 0.08 2ok5A1 ASN 353 HD21 -0.43 -0.05 -0.01 -0.04 7.03 6.50 2ok5A1 ASN 353 HD22 -0.59 0.04 0.01 -0.04 7.74 7.16 2ok5A1 ARG 354 H -0.22 0.19 -0.68 -0.55 8.46 7.20 2ok5A1 ARG 354 HA -0.01 0.15 0.75 -0.75 4.34 4.47 2ok5A1 ARG 354 HB2 -0.09 0.05 0.08 -0.04 1.90 1.90 2ok5A1 ARG 354 HB3 -0.02 -0.04 0.08 -0.04 1.80 1.78 2ok5A1 ARG 354 HG2 -0.06 0.02 -0.02 -0.04 1.67 1.56 2ok5A1 ARG 354 HG3 -0.17 -0.14 -0.12 -0.04 1.67 1.20 2ok5A1 ARG 354 HD2 -0.05 0.33 -0.03 -0.04 3.22 3.44 2ok5A1 ARG 354 HD3 -0.05 0.07 -0.03 -0.04 3.22 3.17 2ok5A1 THR 355 H 0.04 0.23 -0.18 -0.55 8.28 7.82 2ok5A1 THR 355 HA 0.01 0.12 0.64 -0.75 4.39 4.40 2ok5A1 THR 355 HB 0.12 0.11 0.09 -0.04 4.32 4.60 2ok5A1 THR 355 HG23 -0.25 -0.02 -0.27 -0.04 1.22 0.63 2ok5A1 ARG 356 H -0.01 0.46 0.33 -0.55 8.46 8.69 2ok5A1 ARG 356 HA 0.21 0.28 1.04 -0.75 4.34 5.11 2ok5A1 ARG 356 HB2 -0.02 0.10 0.11 -0.04 1.90 2.06 2ok5A1 ARG 356 HB3 -0.13 -0.03 0.07 -0.04 1.80 1.67 2ok5A1 ARG 356 HG2 -0.04 0.00 0.17 -0.04 1.67 1.76 2ok5A1 ARG 356 HG3 -0.00 -0.07 -0.19 -0.04 1.67 1.36 2ok5A1 ARG 356 HD2 -0.13 0.04 0.02 -0.04 3.22 3.11 2ok5A1 ARG 356 HD3 -0.06 -0.01 -0.02 -0.04 3.22 3.08 2ok5A1 HIS 357 H 0.28 0.69 0.15 -0.55 8.41 8.98 2ok5A1 HIS 357 HA 0.24 0.22 1.06 -0.75 4.63 5.39 2ok5A1 HIS 357 HB2 0.20 0.04 0.20 -0.04 3.26 3.66 2ok5A1 HIS 357 HB3 0.35 -0.10 -0.03 -0.04 3.20 3.39 2ok5A1 HIS 357 HD2 0.24 0.26 0.06 -0.04 6.97 7.48 2ok5A1 HIS 357 HE1 0.29 0.01 -0.07 -0.04 7.75 7.94 2ok5A1 VAL 358 H 0.27 0.72 0.37 -0.55 8.24 9.06 2ok5A1 VAL 358 HA 0.30 0.29 1.08 -0.75 4.13 5.06 2ok5A1 VAL 358 HB 0.20 -0.06 0.15 -0.04 2.12 2.37 2ok5A1 VAL 358 HG13 0.43 -0.02 -0.17 -0.04 0.97 1.17 2ok5A1 VAL 358 HG23 0.17 0.02 -0.20 -0.04 0.95 0.90 2ok5A1 ILE 359 H 0.29 0.69 0.41 -0.55 8.25 9.09 2ok5A1 ILE 359 HA 0.37 0.14 1.09 -0.75 4.18 5.02 2ok5A1 ILE 359 HB 0.17 -0.05 0.20 -0.04 1.89 2.17 2ok5A1 ILE 359 HG12 0.06 0.00 -0.07 -0.04 1.49 1.44 2ok5A1 ILE 359 HG13 0.14 0.06 -0.09 -0.04 1.21 1.28 2ok5A1 ILE 359 HG23 0.16 -0.02 -0.11 -0.04 0.93 0.92 2ok5A1 ILE 359 HD13 -0.04 -0.01 -0.06 -0.04 0.88 0.74 2ok5A1 ILE 360 H 0.31 0.77 0.37 -0.55 8.25 9.15 2ok5A1 ILE 360 HA 0.44 0.24 1.04 -0.75 4.18 5.15 2ok5A1 ILE 360 HB 0.26 0.00 0.15 -0.04 1.89 2.26 2ok5A1 ILE 360 HG12 0.48 -0.01 -0.07 -0.04 1.49 1.84 2ok5A1 ILE 360 HG13 0.51 0.07 -0.41 -0.04 1.21 1.34 2ok5A1 ILE 360 HG23 0.30 -0.03 -0.17 -0.04 0.93 0.99 2ok5A1 ILE 360 HD13 0.32 0.01 -0.15 -0.04 0.88 1.01 2ok5A1 LEU 361 H 0.33 0.81 0.37 -0.55 8.37 9.32 2ok5A1 LEU 361 HA 0.22 0.30 1.12 -0.75 4.35 5.24 2ok5A1 LEU 361 HB2 0.18 0.00 -0.05 -0.04 1.64 1.74 2ok5A1 LEU 361 HB3 0.19 0.05 0.15 -0.04 1.64 1.98 2ok5A1 LEU 361 HG 0.18 -0.07 -0.26 -0.04 1.64 1.45 2ok5A1 LEU 361 HD13 0.30 0.00 -0.05 -0.04 0.93 1.14 2ok5A1 LEU 361 HD23 0.14 -0.01 -0.10 -0.04 0.89 0.88 2ok5A1 MET 362 H 0.17 0.56 0.39 -0.55 8.47 9.05 2ok5A1 MET 362 HA 0.23 0.33 1.08 -0.75 4.52 5.41 2ok5A1 MET 362 HB2 0.07 -0.01 0.18 -0.04 2.15 2.35 2ok5A1 MET 362 HB3 0.07 -0.07 0.03 -0.04 2.03 2.02 2ok5A1 MET 362 HG2 0.03 0.02 0.00 -0.04 2.63 2.64 2ok5A1 MET 362 HG3 0.08 0.02 -0.26 -0.04 2.56 2.36 2ok5A1 MET 362 HE3 -0.06 -0.03 -0.03 -0.04 2.10 1.94 2ok5A1 THR 363 H 0.14 0.75 0.36 -0.55 8.28 8.99 2ok5A1 THR 363 HA 0.06 0.08 0.91 -0.75 4.39 4.68 2ok5A1 THR 363 HB 0.11 0.11 -0.26 -0.04 4.32 4.24 2ok5A1 THR 363 HG23 0.09 0.05 -0.18 -0.04 1.22 1.14 2ok5A1 ASP 364 H 0.03 0.09 0.20 -0.55 8.40 8.17 2ok5A1 ASP 364 HA 0.07 0.33 1.05 -0.75 4.63 5.32 2ok5A1 ASP 364 HB2 0.04 0.16 0.22 -0.04 2.71 3.09 2ok5A1 ASP 364 HB3 0.03 -0.03 0.04 -0.04 2.70 2.69 2ok5A1 GLY 365 H 0.05 -0.02 -0.14 -0.55 8.43 7.77 2ok5A1 GLY 365 HA2 0.13 0.41 0.60 -0.51 4.01 4.64 2ok5A1 GLY 365 HA3 0.14 -0.01 0.28 -0.51 4.01 3.91 2ok5A1 LEU 366 H 0.05 0.08 0.11 -0.55 8.37 8.06 2ok5A1 LEU 366 HA 0.07 0.02 0.26 -0.75 4.35 3.94 2ok5A1 LEU 366 HB2 0.03 -0.08 -0.20 -0.04 1.64 1.35 2ok5A1 LEU 366 HB3 -0.05 0.14 0.20 -0.04 1.64 1.88 2ok5A1 LEU 366 HG 0.04 -0.03 0.04 -0.04 1.64 1.65 2ok5A1 LEU 366 HD13 0.15 -0.00 -0.06 -0.04 0.93 0.98 2ok5A1 LEU 366 HD23 0.03 0.00 -0.21 -0.04 0.89 0.67 2ok5A1 HIS 367 H 0.14 0.04 -0.25 -0.55 8.41 7.78 2ok5A1 HIS 367 HA 0.03 0.13 0.79 -0.75 4.63 4.82 2ok5A1 HIS 367 HB2 0.02 -0.06 0.14 -0.04 3.26 3.33 2ok5A1 HIS 367 HB3 0.02 0.07 0.05 -0.04 3.20 3.29 2ok5A1 HIS 367 HD2 0.02 -0.19 -0.05 -0.04 6.97 6.70 2ok5A1 HIS 367 HE1 0.01 0.02 -0.04 -0.04 7.75 7.70 2ok5A1 ASN 368 H 0.04 0.19 0.02 -0.55 8.53 8.25 2ok5A1 ASN 368 HA 0.08 0.14 0.28 -0.75 4.76 4.50 2ok5A1 ASN 368 HB2 0.03 -0.02 0.07 -0.04 2.88 2.91 2ok5A1 ASN 368 HB3 0.03 0.06 0.05 -0.04 2.79 2.90 2ok5A1 ASN 368 HD21 0.01 0.05 0.04 -0.04 7.03 7.09 2ok5A1 ASN 368 HD22 0.01 -0.03 0.06 -0.04 7.74 7.74 2ok5A1 MET 369 H 0.05 0.72 0.40 -0.55 8.47 9.10 2ok5A1 MET 369 HA 0.02 0.13 0.83 -0.75 4.52 4.75 2ok5A1 MET 369 HB2 0.00 -0.01 0.10 -0.04 2.15 2.21 2ok5A1 MET 369 HB3 0.02 0.05 0.05 -0.04 2.03 2.11 2ok5A1 MET 369 HG2 0.03 -0.12 -0.30 -0.04 2.63 2.20 2ok5A1 MET 369 HG3 0.00 0.01 -0.31 -0.04 2.56 2.22 2ok5A1 MET 369 HE3 -0.07 0.02 -0.06 -0.04 2.10 1.95 2ok5A1 GLY 370 H 0.00 0.15 0.13 -0.55 8.43 8.18 2ok5A1 GLY 370 HA2 -0.00 0.04 0.32 -0.51 4.01 3.86 2ok5A1 GLY 370 HA3 -0.00 0.11 0.47 -0.51 4.01 4.07 2ok5A1 GLY 371 H 0.00 0.03 -0.22 -0.55 8.43 7.69 2ok5A1 GLY 371 HA2 -0.01 0.00 0.28 -0.51 4.01 3.77 2ok5A1 GLY 371 HA3 -0.01 0.25 0.69 -0.51 4.01 4.43 2ok5A1 ASP 372 H -0.01 0.16 0.10 -0.55 8.40 8.10 2ok5A1 ASP 372 HA -0.01 0.15 0.49 -0.75 4.63 4.51 2ok5A1 ASP 372 HB2 -0.01 0.04 0.14 -0.04 2.71 2.84 2ok5A1 ASP 372 HB3 -0.02 -0.02 0.18 -0.04 2.70 2.80 2ok5A1 PRO 373 HA -0.04 0.06 0.29 -0.51 4.44 4.24 2ok5A1 PRO 373 HB2 -0.03 0.11 -0.09 -0.04 2.28 2.23 2ok5A1 PRO 373 HB3 -0.04 -0.09 -0.17 -0.04 2.02 1.68 2ok5A1 PRO 373 HG2 -0.01 0.13 -0.01 -0.04 2.03 2.09 2ok5A1 PRO 373 HG3 0.00 -0.00 0.03 -0.04 2.03 2.01 2ok5A1 PRO 373 HD2 -0.01 0.09 0.23 -0.04 3.68 3.95 2ok5A1 PRO 373 HD3 -0.00 0.29 0.30 -0.04 3.65 4.20 2ok5A1 ILE 374 H -0.02 0.06 -0.60 -0.55 8.25 7.14 2ok5A1 ILE 374 HA -0.03 0.16 0.32 -0.75 4.18 3.88 2ok5A1 ILE 374 HB -0.02 -0.07 0.00 -0.04 1.89 1.76 2ok5A1 ILE 374 HG12 -0.02 0.24 -0.08 -0.04 1.49 1.59 2ok5A1 ILE 374 HG13 -0.02 -0.11 -0.09 -0.04 1.21 0.95 2ok5A1 ILE 374 HG23 -0.03 0.03 -0.15 -0.04 0.93 0.74 2ok5A1 ILE 374 HD13 -0.02 -0.00 -0.03 -0.04 0.88 0.79 2ok5A1 THR 375 H -0.04 0.31 -0.18 -0.55 8.28 7.82 2ok5A1 THR 375 HA -0.04 0.09 0.37 -0.75 4.39 4.05 2ok5A1 THR 375 HB -0.06 0.03 0.06 -0.04 4.32 4.31 2ok5A1 THR 375 HG23 -0.03 0.02 0.05 -0.04 1.22 1.21 2ok5A1 VAL 376 H -0.06 0.24 -0.40 -0.55 8.24 7.47 2ok5A1 VAL 376 HA -0.14 0.08 0.53 -0.75 4.13 3.85 2ok5A1 VAL 376 HB -0.06 0.13 0.05 -0.04 2.12 2.20 2ok5A1 VAL 376 HG13 -0.09 -0.02 -0.25 -0.04 0.97 0.57 2ok5A1 VAL 376 HG23 -0.09 0.01 -0.01 -0.04 0.95 0.81 2ok5A1 ILE 377 H -0.04 0.29 -0.09 -0.55 8.25 7.86 2ok5A1 ILE 377 HA -0.02 0.05 0.45 -0.75 4.18 3.91 2ok5A1 ILE 377 HB -0.03 0.16 0.14 -0.04 1.89 2.12 2ok5A1 ILE 377 HG12 -0.03 -0.04 0.06 -0.04 1.49 1.44 2ok5A1 ILE 377 HG13 -0.02 0.06 0.03 -0.04 1.21 1.24 2ok5A1 ILE 377 HG23 -0.02 0.02 -0.08 -0.04 0.93 0.81 2ok5A1 ILE 377 HD13 -0.01 -0.00 -0.02 -0.04 0.88 0.81 2ok5A1 ASP 378 H -0.04 0.35 -0.26 -0.55 8.40 7.90 2ok5A1 ASP 378 HA -0.02 0.08 0.42 -0.75 4.63 4.35 2ok5A1 ASP 378 HB2 -0.04 0.06 0.16 -0.04 2.71 2.84 2ok5A1 ASP 378 HB3 -0.04 -0.01 -0.06 -0.04 2.70 2.56 2ok5A1 GLU 379 H -0.07 0.48 -0.09 -0.55 8.60 8.37 2ok5A1 GLU 379 HA -0.04 0.01 0.51 -0.75 4.29 4.02 2ok5A1 GLU 379 HB2 -0.19 0.08 0.23 -0.04 2.09 2.17 2ok5A1 GLU 379 HB3 -0.34 -0.01 -0.02 -0.04 1.99 1.58 2ok5A1 GLU 379 HG2 -0.16 -0.02 0.06 -0.04 2.34 2.18 2ok5A1 GLU 379 HG3 -0.16 0.06 0.05 -0.04 2.34 2.25 2ok5A1 ILE 380 H 0.01 0.47 -0.30 -0.55 8.25 7.88 2ok5A1 ILE 380 HA 0.06 0.02 0.48 -0.75 4.18 3.98 2ok5A1 ILE 380 HB -0.01 0.11 0.18 -0.04 1.89 2.14 2ok5A1 ILE 380 HG12 -0.05 -0.00 -0.01 -0.04 1.49 1.39 2ok5A1 ILE 380 HG13 0.17 -0.00 -0.00 -0.04 1.21 1.34 2ok5A1 ILE 380 HG23 -0.07 0.00 -0.14 -0.04 0.93 0.68 2ok5A1 ILE 380 HD13 -0.05 -0.03 -0.11 -0.04 0.88 0.65 2ok5A1 ARG 381 H 0.00 0.45 -0.13 -0.55 8.46 8.24 2ok5A1 ARG 381 HA 0.04 0.05 0.45 -0.75 4.34 4.13 2ok5A1 ARG 381 HB2 -0.00 0.06 0.11 -0.04 1.90 2.02 2ok5A1 ARG 381 HB3 0.01 0.09 0.05 -0.04 1.80 1.91 2ok5A1 ARG 381 HG2 0.02 -0.01 -0.03 -0.04 1.67 1.61 2ok5A1 ARG 381 HG3 0.01 0.03 0.00 -0.04 1.67 1.67 2ok5A1 ARG 381 HD2 -0.01 -0.03 -0.08 -0.04 3.22 3.06 2ok5A1 ARG 381 HD3 -0.01 -0.03 -0.14 -0.04 3.22 3.00 2ok5A1 ASP 382 H 0.01 0.33 -0.33 -0.55 8.40 7.86 2ok5A1 ASP 382 HA 0.00 0.06 0.61 -0.75 4.63 4.54 2ok5A1 ASP 382 HB2 0.01 0.17 0.20 -0.04 2.71 3.05 2ok5A1 ASP 382 HB3 0.01 -0.05 -0.03 -0.04 2.70 2.59 2ok5A1 LEU 383 H 0.01 0.46 -0.04 -0.55 8.37 8.25 2ok5A1 LEU 383 HA -0.10 -0.02 0.42 -0.75 4.35 3.90 2ok5A1 LEU 383 HB2 -0.15 0.00 0.16 -0.04 1.64 1.61 2ok5A1 LEU 383 HB3 -0.18 0.18 0.19 -0.04 1.64 1.79 2ok5A1 LEU 383 HG -0.86 0.07 -0.22 -0.04 1.64 0.58 2ok5A1 LEU 383 HD13 -1.08 -0.04 0.01 -0.04 0.93 -0.22 2ok5A1 LEU 383 HD23 -0.88 -0.01 -0.12 -0.04 0.89 -0.15 2ok5A1 LEU 384 H 0.07 0.52 -0.11 -0.55 8.37 8.30 2ok5A1 LEU 384 HA 0.54 0.12 0.49 -0.75 4.35 4.74 2ok5A1 LEU 384 HB2 0.16 -0.04 -0.02 -0.04 1.64 1.70 2ok5A1 LEU 384 HB3 0.28 0.04 0.08 -0.04 1.64 2.01 2ok5A1 LEU 384 HG -0.05 0.06 0.03 -0.04 1.64 1.63 2ok5A1 LEU 384 HD13 -0.03 -0.00 -0.05 -0.04 0.93 0.81 2ok5A1 LEU 384 HD23 0.17 0.01 -0.08 -0.04 0.89 0.95 2ok5A1 TYR 385 H 0.26 0.26 -0.81 -0.55 8.29 7.44 2ok5A1 TYR 385 HA 0.13 0.03 0.27 -0.75 4.56 4.24 2ok5A1 TYR 385 HB2 0.42 0.03 -0.17 -0.04 3.06 3.29 2ok5A1 TYR 385 HB3 0.29 0.10 0.16 -0.04 2.98 3.50 2ok5A1 TYR 385 HD2 0.12 0.07 0.05 -0.04 7.15 7.35 2ok5A1 TYR 385 HE2 0.07 -0.05 -0.05 -0.04 6.85 6.77 2ok5A1 ILE 386 H 0.06 0.77 0.10 -0.55 8.25 8.63 2ok5A1 ILE 386 HA 0.08 0.25 0.89 -0.75 4.18 4.64 2ok5A1 ILE 386 HB 0.06 -0.10 0.10 -0.04 1.89 1.91 2ok5A1 ILE 386 HG12 0.17 0.27 -0.02 -0.04 1.49 1.87 2ok5A1 ILE 386 HG13 0.17 0.01 -0.47 -0.04 1.21 0.89 2ok5A1 ILE 386 HG23 0.06 -0.02 -0.16 -0.04 0.93 0.77 2ok5A1 ILE 386 HD13 0.16 -0.03 -0.12 -0.04 0.88 0.84 2ok5A1 GLY 387 H 0.01 0.65 0.28 -0.55 8.43 8.83 2ok5A1 GLY 387 HA2 -0.01 -0.04 0.32 -0.51 4.01 3.77 2ok5A1 GLY 387 HA3 -0.03 0.07 0.47 -0.51 4.01 4.02 2ok5A1 LYS 388 H -0.18 0.21 -0.40 -0.55 8.42 7.50 2ok5A1 LYS 388 HA -0.16 0.16 0.61 -0.75 4.32 4.17 2ok5A1 LYS 388 HB2 -1.16 0.09 -0.16 -0.04 1.87 0.60 2ok5A1 LYS 388 HB3 -0.63 -0.05 0.01 -0.04 1.79 1.07 2ok5A1 LYS 388 HG2 -0.19 -0.04 -0.13 -0.04 1.46 1.06 2ok5A1 LYS 388 HG3 -0.25 0.20 -0.29 -0.04 1.46 1.08 2ok5A1 LYS 388 HD2 -0.10 -0.01 0.04 -0.04 1.69 1.57 2ok5A1 LYS 388 HD3 -0.38 0.05 0.02 -0.04 1.68 1.33 2ok5A1 LYS 388 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 2ok5A1 LYS 388 HE3 -0.23 -0.03 -0.01 -0.04 2.99 2.68 2ok5A1 ASP 389 H -0.05 0.17 -0.20 -0.55 8.40 7.77 2ok5A1 ASP 389 HA 0.03 0.12 0.77 -0.75 4.63 4.80 2ok5A1 ASP 389 HB2 0.24 0.12 -0.19 -0.04 2.71 2.84 2ok5A1 ASP 389 HB3 0.18 0.20 -0.00 -0.04 2.70 3.03 2ok5A1 ARG 390 H 0.02 0.21 0.06 -0.55 8.46 8.19 2ok5A1 ARG 390 HA 0.01 0.12 0.31 -0.75 4.34 4.03 2ok5A1 ARG 390 HB2 0.01 -0.01 0.08 -0.04 1.90 1.93 2ok5A1 ARG 390 HB3 0.01 0.02 0.06 -0.04 1.80 1.85 2ok5A1 ARG 390 HG2 -0.00 0.03 -0.05 -0.04 1.67 1.61 2ok5A1 ARG 390 HG3 -0.00 0.02 0.02 -0.04 1.67 1.66 2ok5A1 ARG 390 HD2 -0.01 -0.01 0.04 -0.04 3.22 3.20 2ok5A1 ARG 390 HD3 -0.01 0.03 -0.00 -0.04 3.22 3.20 2ok5A1 LYS 391 H 0.04 0.03 -0.30 -0.55 8.42 7.64 2ok5A1 LYS 391 HA 0.03 0.18 0.67 -0.75 4.32 4.45 2ok5A1 LYS 391 HB2 0.03 -0.07 0.04 -0.04 1.87 1.82 2ok5A1 LYS 391 HB3 0.04 0.04 -0.04 -0.04 1.79 1.79 2ok5A1 LYS 391 HG2 0.02 0.05 0.14 -0.04 1.46 1.63 2ok5A1 LYS 391 HG3 0.02 -0.02 0.03 -0.04 1.46 1.45 2ok5A1 LYS 391 HD2 0.02 -0.03 0.00 -0.04 1.69 1.64 2ok5A1 LYS 391 HD3 0.02 0.02 -0.00 -0.04 1.68 1.68 2ok5A1 LYS 391 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 2ok5A1 LYS 391 HE3 0.01 0.02 0.03 -0.04 2.99 3.02 2ok5A1 ASN 392 H 0.06 0.28 -0.54 -0.55 8.53 7.78 2ok5A1 ASN 392 HA 0.06 0.09 0.54 -0.75 4.76 4.70 2ok5A1 ASN 392 HB2 0.05 0.06 -0.21 -0.04 2.88 2.74 2ok5A1 ASN 392 HB3 0.10 -0.04 0.07 -0.04 2.79 2.88 2ok5A1 ASN 392 HD21 -0.02 0.05 0.03 -0.04 7.03 7.05 2ok5A1 ASN 392 HD22 0.05 -0.03 0.03 -0.04 7.74 7.75 2ok5A1 PRO 393 HA 0.04 -0.01 0.41 -0.51 4.44 4.37 2ok5A1 PRO 393 HB2 0.05 -0.07 0.03 -0.04 2.28 2.25 2ok5A1 PRO 393 HB3 0.03 0.01 0.11 -0.04 2.02 2.13 2ok5A1 PRO 393 HG2 0.03 0.05 0.06 -0.04 2.03 2.13 2ok5A1 PRO 393 HG3 0.03 0.10 0.06 -0.04 2.03 2.18 2ok5A1 PRO 393 HD2 0.06 0.05 0.11 -0.04 3.68 3.85 2ok5A1 PRO 393 HD3 0.04 0.17 -0.17 -0.04 3.65 3.66 2ok5A1 ARG 394 H 0.11 0.09 -0.19 -0.55 8.46 7.92 2ok5A1 ARG 394 HA 0.28 -0.01 0.29 -0.75 4.34 4.14 2ok5A1 ARG 394 HB2 0.14 0.20 -0.12 -0.04 1.90 2.08 2ok5A1 ARG 394 HB3 0.16 0.04 0.18 -0.04 1.80 2.14 2ok5A1 ARG 394 HG2 -0.01 -0.05 0.03 -0.04 1.67 1.61 2ok5A1 ARG 394 HG3 0.10 -0.00 -0.10 -0.04 1.67 1.63 2ok5A1 ARG 394 HD2 -0.06 -0.12 0.05 -0.04 3.22 3.04 2ok5A1 ARG 394 HD3 0.27 0.13 0.11 -0.04 3.22 3.69 2ok5A1 GLU 395 H 0.10 0.03 -0.16 -0.55 8.60 8.02 2ok5A1 GLU 395 HA 0.08 0.16 0.50 -0.75 4.29 4.28 2ok5A1 GLU 395 HB2 0.04 -0.03 0.06 -0.04 2.09 2.12 2ok5A1 GLU 395 HB3 0.02 0.07 0.08 -0.04 1.99 2.12 2ok5A1 GLU 395 HG2 0.05 -0.06 -0.11 -0.04 2.34 2.18 2ok5A1 GLU 395 HG3 0.03 -0.01 0.02 -0.04 2.34 2.34 2ok5A1 ASP 396 H 0.07 -0.03 -0.17 -0.55 8.40 7.73 2ok5A1 ASP 396 HA -0.03 0.12 0.34 -0.75 4.63 4.31 2ok5A1 ASP 396 HB2 -0.20 -0.05 -0.04 -0.04 2.71 2.38 2ok5A1 ASP 396 HB3 -0.30 0.09 -0.02 -0.04 2.70 2.43 2ok5A1 TYR 397 H 0.25 0.25 -0.68 -0.55 8.29 7.56 2ok5A1 TYR 397 HA 0.09 0.10 0.57 -0.75 4.56 4.56 2ok5A1 TYR 397 HB2 0.12 0.16 0.08 -0.04 3.06 3.38 2ok5A1 TYR 397 HB3 0.18 0.10 0.18 -0.04 2.98 3.40 2ok5A1 TYR 397 HD2 0.04 0.04 -0.30 -0.04 7.15 6.90 2ok5A1 TYR 397 HE2 -0.02 -0.07 -0.15 -0.04 6.85 6.57 2ok5A1 LEU 398 H 0.13 0.46 -0.23 -0.55 8.37 8.18 2ok5A1 LEU 398 HA 0.21 0.31 0.78 -0.75 4.35 4.89 2ok5A1 LEU 398 HB2 0.16 0.06 -0.12 -0.04 1.64 1.70 2ok5A1 LEU 398 HB3 0.09 -0.03 0.04 -0.04 1.64 1.70 2ok5A1 LEU 398 HG 0.05 -0.07 -0.24 -0.04 1.64 1.33 2ok5A1 LEU 398 HD13 0.11 0.02 -0.03 -0.04 0.93 0.99 2ok5A1 LEU 398 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 2ok5A1 ASP 399 H 0.16 0.60 0.34 -0.55 8.40 8.96 2ok5A1 ASP 399 HA -0.05 0.06 0.62 -0.75 4.63 4.50 2ok5A1 ASP 399 HB2 0.26 0.00 0.10 -0.04 2.71 3.03 2ok5A1 ASP 399 HB3 0.05 -0.04 -0.05 -0.04 2.70 2.63 2ok5A1 VAL 400 H -0.16 0.15 0.17 -0.55 8.24 7.85 2ok5A1 VAL 400 HA 0.15 0.23 1.05 -0.75 4.13 4.81 2ok5A1 VAL 400 HB -0.04 -0.00 0.22 -0.04 2.12 2.25 2ok5A1 VAL 400 HG13 0.08 -0.02 -0.13 -0.04 0.97 0.86 2ok5A1 VAL 400 HG23 0.01 -0.00 -0.08 -0.04 0.95 0.83 2ok5A1 TYR 401 H 0.40 0.87 0.39 -0.55 8.29 9.39 2ok5A1 TYR 401 HA 0.17 0.32 1.07 -0.75 4.56 5.36 2ok5A1 TYR 401 HB2 0.43 -0.03 0.20 -0.04 3.06 3.62 2ok5A1 TYR 401 HB3 0.23 -0.04 -0.02 -0.04 2.98 3.10 2ok5A1 TYR 401 HD2 0.37 0.02 -0.04 -0.04 7.15 7.46 2ok5A1 TYR 401 HE2 -0.02 0.09 -0.03 -0.04 6.85 6.85 2ok5A1 VAL 402 H 0.01 0.75 0.40 -0.55 8.24 8.85 2ok5A1 VAL 402 HA 0.20 0.22 1.16 -0.75 4.13 4.96 2ok5A1 VAL 402 HB -0.00 0.01 0.19 -0.04 2.12 2.27 2ok5A1 VAL 402 HG13 0.10 -0.05 -0.12 -0.04 0.97 0.86 2ok5A1 VAL 402 HG23 0.05 0.02 -0.18 -0.04 0.95 0.80 2ok5A1 PHE 403 H 0.42 0.81 0.34 -0.55 8.34 9.35 2ok5A1 PHE 403 HA 0.25 0.12 0.95 -0.75 4.62 5.18 2ok5A1 PHE 403 HB2 0.12 -0.06 0.22 -0.04 3.15 3.39 2ok5A1 PHE 403 HB3 0.11 -0.04 0.00 -0.04 3.06 3.10 2ok5A1 PHE 403 HD2 0.05 0.01 -0.11 -0.04 7.28 7.19 2ok5A1 PHE 403 HE2 -0.41 0.02 -0.13 -0.04 7.38 6.82 2ok5A1 PHE 403 HZ -1.54 0.06 -0.12 -0.04 7.32 5.68 2ok5A1 GLY 404 H 0.15 0.81 0.24 -0.55 8.43 9.09 2ok5A1 GLY 404 HA2 0.12 0.17 0.88 -0.51 4.01 4.68 2ok5A1 GLY 404 HA3 0.10 0.04 0.36 -0.51 4.01 4.00 2ok5A1 VAL 405 H 0.10 0.44 0.40 -0.55 8.24 8.63 2ok5A1 VAL 405 HA 0.11 0.15 0.86 -0.75 4.13 4.50 2ok5A1 VAL 405 HB 0.06 -0.09 -0.05 -0.04 2.12 2.00 2ok5A1 VAL 405 HG13 0.03 -0.02 -0.31 -0.04 0.97 0.63 2ok5A1 VAL 405 HG23 0.09 0.02 -0.29 -0.04 0.95 0.73 2ok5A1 GLY 406 H 0.13 0.50 -0.01 -0.55 8.43 8.50 2ok5A1 GLY 406 HA2 0.11 0.36 0.41 -0.51 4.01 4.38 2ok5A1 GLY 406 HA3 0.09 -0.06 0.39 -0.51 4.01 3.92 2ok5A1 PRO 407 HA 0.13 0.20 0.37 -0.51 4.44 4.64 2ok5A1 PRO 407 HB2 0.10 0.02 0.04 -0.04 2.28 2.40 2ok5A1 PRO 407 HB3 0.22 0.10 0.10 -0.04 2.02 2.39 2ok5A1 PRO 407 HG2 0.09 0.00 -0.02 -0.04 2.03 2.05 2ok5A1 PRO 407 HG3 0.10 0.05 0.05 -0.04 2.03 2.19 2ok5A1 PRO 407 HD2 0.09 0.01 0.22 -0.04 3.68 3.96 2ok5A1 PRO 407 HD3 0.13 0.18 0.25 -0.04 3.65 4.17 2ok5A1 LEU 408 H 0.10 0.09 -0.29 -0.55 8.37 7.72 2ok5A1 LEU 408 HA 0.10 0.19 0.60 -0.75 4.35 4.49 2ok5A1 LEU 408 HB2 0.08 -0.04 0.09 -0.04 1.64 1.72 2ok5A1 LEU 408 HB3 0.11 -0.02 0.13 -0.04 1.64 1.82 2ok5A1 LEU 408 HG 0.05 0.00 0.02 -0.04 1.64 1.67 2ok5A1 LEU 408 HD13 0.06 0.02 -0.17 -0.04 0.93 0.80 2ok5A1 LEU 408 HD23 0.04 -0.02 -0.04 -0.04 0.89 0.84 2ok5A1 VAL 409 H 0.08 0.21 -0.34 -0.55 8.24 7.64 2ok5A1 VAL 409 HA 0.03 -0.04 0.22 -0.75 4.13 3.59 2ok5A1 VAL 409 HB 0.07 0.09 -0.16 -0.04 2.12 2.08 2ok5A1 VAL 409 HG13 0.03 0.02 -0.23 -0.04 0.97 0.74 2ok5A1 VAL 409 HG23 0.02 -0.07 -0.25 -0.04 0.95 0.62 2ok5A1 ASN 410 H -0.21 0.76 0.21 -0.55 8.53 8.74 2ok5A1 ASN 410 HA -0.11 0.09 0.69 -0.75 4.76 4.68 2ok5A1 ASN 410 HB2 -0.92 0.05 0.02 -0.04 2.88 1.99 2ok5A1 ASN 410 HB3 -0.28 0.05 0.18 -0.04 2.79 2.70 2ok5A1 ASN 410 HD21 -0.01 -0.01 0.04 -0.04 7.03 7.02 2ok5A1 ASN 410 HD22 -0.18 0.02 0.05 -0.04 7.74 7.59 2ok5A1 GLN 411 H -0.04 0.28 0.15 -0.55 8.47 8.31 2ok5A1 GLN 411 HA -0.04 0.07 0.28 -0.75 4.36 3.92 2ok5A1 GLN 411 HB2 -0.04 -0.00 0.08 -0.04 2.15 2.15 2ok5A1 GLN 411 HB3 -0.05 0.06 -0.08 -0.04 2.02 1.90 2ok5A1 GLN 411 HG2 -0.05 -0.06 -0.14 -0.04 2.40 2.12 2ok5A1 GLN 411 HG3 -0.04 0.15 -0.05 -0.04 2.39 2.40 2ok5A1 GLN 411 HE21 -0.12 0.08 -0.15 -0.04 6.97 6.73 2ok5A1 GLN 411 HE22 -0.07 -0.02 -0.06 -0.04 7.69 7.50 2ok5A1 VAL 412 H -0.04 0.10 -0.03 -0.55 8.24 7.73 2ok5A1 VAL 412 HA -0.04 0.21 0.52 -0.75 4.13 4.07 2ok5A1 VAL 412 HB -0.02 -0.06 0.09 -0.04 2.12 2.09 2ok5A1 VAL 412 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.85 2ok5A1 VAL 412 HG23 -0.02 0.02 0.07 -0.04 0.95 0.98 2ok5A1 ASN 413 H -0.05 0.11 -0.39 -0.55 8.53 7.65 2ok5A1 ASN 413 HA -0.03 0.07 0.35 -0.75 4.76 4.40 2ok5A1 ASN 413 HB2 -0.08 0.14 0.14 -0.04 2.88 3.04 2ok5A1 ASN 413 HB3 -0.03 -0.03 0.07 -0.04 2.79 2.76 2ok5A1 ASN 413 HD21 -0.02 -0.06 0.11 -0.04 7.03 7.02 2ok5A1 ASN 413 HD22 -0.09 0.48 0.30 -0.04 7.74 8.39 2ok5A1 ILE 414 H -0.04 0.43 -0.06 -0.55 8.25 8.03 2ok5A1 ILE 414 HA 0.00 0.04 0.54 -0.75 4.18 4.00 2ok5A1 ILE 414 HB 0.00 -0.01 -0.03 -0.04 1.89 1.82 2ok5A1 ILE 414 HG12 -0.03 0.06 0.04 -0.04 1.49 1.51 2ok5A1 ILE 414 HG13 -0.04 0.09 -0.12 -0.04 1.21 1.09 2ok5A1 ILE 414 HG23 0.01 0.03 -0.08 -0.04 0.93 0.85 2ok5A1 ILE 414 HD13 -0.01 -0.01 -0.15 -0.04 0.88 0.67 2ok5A1 ASN 415 H -0.04 0.35 -0.26 -0.55 8.53 8.02 2ok5A1 ASN 415 HA -0.07 0.06 0.55 -0.75 4.76 4.54 2ok5A1 ASN 415 HB2 -0.07 0.01 0.15 -0.04 2.88 2.94 2ok5A1 ASN 415 HB3 -0.05 0.10 0.15 -0.04 2.79 2.95 2ok5A1 ASN 415 HD21 -0.06 0.41 0.01 -0.04 7.03 7.35 2ok5A1 ASN 415 HD22 -0.05 -0.01 -0.05 -0.04 7.74 7.59 2ok5A1 ALA 416 H -0.04 0.31 -0.14 -0.55 8.40 7.99 2ok5A1 ALA 416 HA -0.04 0.07 0.38 -0.75 4.34 3.99 2ok5A1 ALA 416 HB3 -0.03 -0.01 0.08 -0.04 1.41 1.42 2ok5A1 LEU 417 H -0.02 0.19 -0.47 -0.55 8.37 7.52 2ok5A1 LEU 417 HA -0.02 0.04 0.54 -0.75 4.35 4.15 2ok5A1 LEU 417 HB2 0.01 0.09 0.01 -0.04 1.64 1.71 2ok5A1 LEU 417 HB3 0.01 -0.04 -0.11 -0.04 1.64 1.46 2ok5A1 LEU 417 HG -0.00 0.04 -0.05 -0.04 1.64 1.58 2ok5A1 LEU 417 HD13 0.03 -0.03 -0.08 -0.04 0.93 0.81 2ok5A1 LEU 417 HD23 -0.01 -0.03 -0.17 -0.04 0.89 0.64 2ok5A1 ALA 418 H -0.05 0.18 -0.28 -0.55 8.40 7.71 2ok5A1 ALA 418 HA -0.05 0.01 0.30 -0.75 4.34 3.84 2ok5A1 ALA 418 HB3 -0.07 0.00 0.05 -0.04 1.41 1.35 2ok5A1 SER 419 H -0.26 0.40 0.34 -0.55 8.46 8.40 2ok5A1 SER 419 HA -0.23 0.04 0.43 -0.75 4.49 3.98 2ok5A1 SER 419 HB2 -1.60 0.03 0.08 -0.04 3.95 2.42 2ok5A1 SER 419 HB3 -0.54 0.04 0.02 -0.04 3.93 3.40 2ok5A1 LYS 420 H -0.18 0.18 0.05 -0.55 8.42 7.91 2ok5A1 LYS 420 HA -0.11 0.15 0.70 -0.75 4.32 4.31 2ok5A1 LYS 420 HB2 -0.07 -0.01 0.16 -0.04 1.87 1.91 2ok5A1 LYS 420 HB3 -0.05 -0.18 0.03 -0.04 1.79 1.55 2ok5A1 LYS 420 HG2 -0.06 -0.12 -0.19 -0.04 1.46 1.04 2ok5A1 LYS 420 HG3 -0.08 0.09 -0.10 -0.04 1.46 1.33 2ok5A1 LYS 420 HD2 -0.10 0.17 -0.25 -0.04 1.69 1.48 2ok5A1 LYS 420 HD3 -0.06 -0.12 -0.06 -0.04 1.68 1.41 2ok5A1 LYS 420 HE2 -0.05 -0.12 -0.13 -0.04 2.99 2.64 2ok5A1 LYS 420 HE3 -0.07 -0.05 -0.11 -0.04 2.99 2.72 2ok5A1 LYS 421 H -0.03 0.28 -0.09 -0.55 8.42 8.02 2ok5A1 LYS 421 HA -0.01 0.14 0.84 -0.75 4.32 4.55 2ok5A1 LYS 421 HB2 0.14 0.01 -0.09 -0.04 1.87 1.89 2ok5A1 LYS 421 HB3 0.04 0.07 -0.03 -0.04 1.79 1.83 2ok5A1 LYS 421 HG2 -0.08 0.03 -0.32 -0.04 1.46 1.05 2ok5A1 LYS 421 HG3 -0.27 -0.09 -0.27 -0.04 1.46 0.79 2ok5A1 LYS 421 HD2 0.08 0.06 -0.08 -0.04 1.69 1.71 2ok5A1 LYS 421 HD3 0.01 -0.04 -0.07 -0.04 1.68 1.53 2ok5A1 LYS 421 HE2 -0.06 -0.08 0.02 -0.04 2.99 2.83 2ok5A1 LYS 421 HE3 -0.13 -0.12 0.05 -0.04 2.99 2.75 2ok5A1 ASP 422 H 0.03 0.13 0.12 -0.55 8.40 8.13 2ok5A1 ASP 422 HA 0.02 -0.07 0.47 -0.75 4.63 4.29 2ok5A1 ASP 422 HB2 0.05 0.14 0.18 -0.04 2.71 3.04 2ok5A1 ASP 422 HB3 0.04 -0.01 0.10 -0.04 2.70 2.78 2ok5A1 ASN 423 H 0.00 0.03 0.26 -0.55 8.53 8.28 2ok5A1 ASN 423 HA 0.00 -0.04 0.35 -0.75 4.76 4.33 2ok5A1 ASN 423 HB2 0.01 -0.09 -0.16 -0.04 2.88 2.60 2ok5A1 ASN 423 HB3 0.02 0.16 0.14 -0.04 2.79 3.07 2ok5A1 ASN 423 HD21 0.00 -0.04 0.03 -0.04 7.03 6.98 2ok5A1 ASN 423 HD22 0.01 0.00 0.01 -0.04 7.74 7.72 2ok5A1 GLU 424 H 0.03 0.36 -0.14 -0.55 8.60 8.31 2ok5A1 GLU 424 HA 0.04 0.19 0.81 -0.75 4.29 4.57 2ok5A1 GLU 424 HB2 0.14 -0.04 -0.15 -0.04 2.09 2.00 2ok5A1 GLU 424 HB3 0.04 -0.00 -0.05 -0.04 1.99 1.94 2ok5A1 GLU 424 HG2 0.04 0.12 -0.05 -0.04 2.34 2.42 2ok5A1 GLU 424 HG3 0.06 0.13 -0.38 -0.04 2.34 2.11 2ok5A1 GLN 425 H 0.04 0.32 0.13 -0.55 8.47 8.41 2ok5A1 GLN 425 HA -0.03 0.13 0.91 -0.75 4.36 4.61 2ok5A1 GLN 425 HB2 0.02 0.02 -0.08 -0.04 2.15 2.07 2ok5A1 GLN 425 HB3 0.13 0.00 0.02 -0.04 2.02 2.13 2ok5A1 GLN 425 HG2 -0.48 -0.09 -0.03 -0.04 2.40 1.76 2ok5A1 GLN 425 HG3 -0.14 0.02 0.08 -0.04 2.39 2.31 2ok5A1 GLN 425 HE21 0.11 -0.14 -0.00 -0.04 6.97 6.90 2ok5A1 GLN 425 HE22 -0.30 0.57 0.13 -0.04 7.69 8.05 2ok5A1 HIS 426 H -0.12 0.11 0.15 -0.55 8.41 8.01 2ok5A1 HIS 426 HA -0.01 0.20 0.88 -0.75 4.63 4.94 2ok5A1 HIS 426 HB2 -0.21 0.24 0.06 -0.04 3.26 3.32 2ok5A1 HIS 426 HB3 -0.27 0.08 0.35 -0.04 3.20 3.31 2ok5A1 HIS 426 HD2 -1.22 -0.04 -0.19 -0.04 6.97 5.48 2ok5A1 HIS 426 HE1 -0.07 0.04 -0.18 -0.04 7.75 7.50 2ok5A1 VAL 427 H -0.54 0.09 0.13 -0.55 8.24 7.37 2ok5A1 VAL 427 HA -0.31 0.24 1.08 -0.75 4.13 4.39 2ok5A1 VAL 427 HB -0.22 -0.03 -0.00 -0.04 2.12 1.82 2ok5A1 VAL 427 HG13 -0.10 0.03 -0.17 -0.04 0.97 0.69 2ok5A1 VAL 427 HG23 -0.15 -0.00 0.01 -0.04 0.95 0.77 2ok5A1 PHE 428 H -0.17 0.70 0.37 -0.55 8.34 8.68 2ok5A1 PHE 428 HA -0.04 0.15 0.87 -0.75 4.62 4.85 2ok5A1 PHE 428 HB2 -0.16 -0.05 0.08 -0.04 3.15 2.98 2ok5A1 PHE 428 HB3 -0.01 -0.05 -0.00 -0.04 3.06 2.96 2ok5A1 PHE 428 HD2 -0.60 0.00 -0.17 -0.04 7.28 6.47 2ok5A1 PHE 428 HE2 -0.01 0.02 -0.18 -0.04 7.38 7.17 2ok5A1 PHE 428 HZ 0.12 0.25 -0.30 -0.04 7.32 7.35 2ok5A1 LYS 429 H 0.16 0.20 0.09 -0.55 8.42 8.31 2ok5A1 LYS 429 HA 0.16 0.27 0.73 -0.75 4.32 4.72 2ok5A1 LYS 429 HB2 0.02 -0.01 -0.13 -0.04 1.87 1.71 2ok5A1 LYS 429 HB3 0.03 -0.01 0.11 -0.04 1.79 1.88 2ok5A1 LYS 429 HG2 0.21 0.03 -0.26 -0.04 1.46 1.41 2ok5A1 LYS 429 HG3 0.08 -0.06 -0.13 -0.04 1.46 1.31 2ok5A1 LYS 429 HD2 -0.09 -0.09 -0.10 -0.04 1.69 1.37 2ok5A1 LYS 429 HD3 -0.23 0.18 -0.03 -0.04 1.68 1.55 2ok5A1 LYS 429 HE2 -0.36 -0.04 -0.20 -0.04 2.99 2.35 2ok5A1 LYS 429 HE3 -0.02 0.01 -0.10 -0.04 2.99 2.84 2ok5A1 VAL 430 H 0.19 0.57 0.20 -0.55 8.24 8.65 2ok5A1 VAL 430 HA 0.14 0.31 0.91 -0.75 4.13 4.74 2ok5A1 VAL 430 HB 0.00 -0.16 0.08 -0.04 2.12 2.00 2ok5A1 VAL 430 HG13 0.07 0.07 -0.16 -0.04 0.97 0.91 2ok5A1 VAL 430 HG23 0.08 -0.00 -0.05 -0.04 0.95 0.95 2ok5A1 LYS 431 H -0.20 0.18 0.17 -0.55 8.42 8.02 2ok5A1 LYS 431 HA -1.08 0.18 0.32 -0.75 4.32 2.99 2ok5A1 LYS 431 HB2 -0.25 -0.10 0.16 -0.04 1.87 1.65 2ok5A1 LYS 431 HB3 -0.34 0.02 0.05 -0.04 1.79 1.48 2ok5A1 LYS 431 HG2 -1.07 0.12 0.03 -0.04 1.46 0.49 2ok5A1 LYS 431 HG3 -0.44 -0.00 0.06 -0.04 1.46 1.04 2ok5A1 LYS 431 HD2 -0.16 -0.06 0.04 -0.04 1.69 1.47 2ok5A1 LYS 431 HD3 -0.19 0.00 0.02 -0.04 1.68 1.47 2ok5A1 LYS 431 HE2 -0.05 0.08 0.02 -0.04 2.99 3.00 2ok5A1 LYS 431 HE3 -0.05 -0.00 0.00 -0.04 2.99 2.90 2ok5A1 ASP 432 H -0.06 0.20 -0.23 -0.55 8.40 7.76 2ok5A1 ASP 432 HA -0.04 0.22 0.58 -0.75 4.63 4.64 2ok5A1 ASP 432 HB2 -0.10 0.04 -0.00 -0.04 2.71 2.61 2ok5A1 ASP 432 HB3 -0.05 -0.31 -0.15 -0.04 2.70 2.15 2ok5A1 MET 433 H -0.02 0.25 0.14 -0.55 8.47 8.30 2ok5A1 MET 433 HA -0.01 0.12 0.57 -0.75 4.52 4.44 2ok5A1 MET 433 HB2 -0.02 0.03 0.10 -0.04 2.15 2.21 2ok5A1 MET 433 HB3 -0.03 0.04 0.09 -0.04 2.03 2.09 2ok5A1 MET 433 HG2 -0.04 0.04 0.00 -0.04 2.63 2.59 2ok5A1 MET 433 HG3 -0.03 0.06 -0.12 -0.04 2.56 2.43 2ok5A1 MET 433 HE3 -0.01 0.01 -0.05 -0.04 2.10 2.01 2ok5A1 GLU 434 H -0.03 0.11 -0.08 -0.55 8.60 8.05 2ok5A1 GLU 434 HA -0.00 0.17 0.48 -0.75 4.29 4.19 2ok5A1 GLU 434 HB2 -0.03 0.03 0.09 -0.04 2.09 2.14 2ok5A1 GLU 434 HB3 -0.04 -0.04 -0.00 -0.04 1.99 1.87 2ok5A1 GLU 434 HG2 -0.02 -0.01 -0.07 -0.04 2.34 2.20 2ok5A1 GLU 434 HG3 -0.01 0.08 0.05 -0.04 2.34 2.42 2ok5A1 ASN 435 H -0.04 -0.00 -0.40 -0.55 8.53 7.54 2ok5A1 ASN 435 HA -0.05 0.14 0.56 -0.75 4.76 4.66 2ok5A1 ASN 435 HB2 -0.07 -0.10 0.18 -0.04 2.88 2.85 2ok5A1 ASN 435 HB3 -0.06 0.05 0.07 -0.04 2.79 2.82 2ok5A1 ASN 435 HD21 -0.10 0.09 0.05 -0.04 7.03 7.02 2ok5A1 ASN 435 HD22 -0.08 0.01 0.11 -0.04 7.74 7.74 2ok5A1 LEU 436 H -0.01 0.48 -0.02 -0.55 8.37 8.27 2ok5A1 LEU 436 HA -0.01 0.06 0.52 -0.75 4.35 4.17 2ok5A1 LEU 436 HB2 0.03 -0.00 0.08 -0.04 1.64 1.71 2ok5A1 LEU 436 HB3 -0.00 0.06 0.10 -0.04 1.64 1.76 2ok5A1 LEU 436 HG 0.05 0.03 -0.15 -0.04 1.64 1.53 2ok5A1 LEU 436 HD13 0.01 0.01 -0.02 -0.04 0.93 0.89 2ok5A1 LEU 436 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 2ok5A1 GLU 437 H -0.02 0.53 -0.19 -0.55 8.60 8.37 2ok5A1 GLU 437 HA -0.09 0.04 0.47 -0.75 4.29 3.95 2ok5A1 GLU 437 HB2 0.02 0.10 0.12 -0.04 2.09 2.29 2ok5A1 GLU 437 HB3 -0.11 0.05 -0.05 -0.04 1.99 1.84 2ok5A1 GLU 437 HG2 -0.14 0.03 0.04 -0.04 2.34 2.22 2ok5A1 GLU 437 HG3 -0.07 -0.04 0.04 -0.04 2.34 2.22 2ok5A1 ASP 438 H 0.01 0.23 -0.40 -0.55 8.40 7.69 2ok5A1 ASP 438 HA 0.23 0.13 0.39 -0.75 4.63 4.61 2ok5A1 ASP 438 HB2 -0.03 0.10 0.19 -0.04 2.71 2.93 2ok5A1 ASP 438 HB3 -0.03 -0.05 -0.06 -0.04 2.70 2.52 2ok5A1 VAL 439 H -0.09 0.34 -0.32 -0.55 8.24 7.62 2ok5A1 VAL 439 HA -0.21 0.08 0.46 -0.75 4.13 3.71 2ok5A1 VAL 439 HB -0.51 0.25 0.17 -0.04 2.12 1.99 2ok5A1 VAL 439 HG13 -0.85 -0.01 -0.19 -0.04 0.97 -0.12 2ok5A1 VAL 439 HG23 -0.17 0.02 0.09 -0.04 0.95 0.85 2ok5A1 PHE 440 H -0.05 0.30 -0.26 -0.55 8.34 7.77 2ok5A1 PHE 440 HA -0.05 0.07 0.38 -0.75 4.62 4.27 2ok5A1 PHE 440 HB2 -0.29 0.08 0.09 -0.04 3.15 2.99 2ok5A1 PHE 440 HB3 -0.17 0.02 0.00 -0.04 3.06 2.88 2ok5A1 PHE 440 HD2 -0.20 0.13 -0.01 -0.04 7.28 7.16 2ok5A1 PHE 440 HE2 -0.51 -0.02 -0.08 -0.04 7.38 6.73 2ok5A1 PHE 440 HZ -1.37 -0.02 -0.11 -0.04 7.32 5.79 2ok5A1 TYR 441 H 0.02 0.32 -0.12 -0.55 8.29 7.96 2ok5A1 TYR 441 HA 0.05 0.08 0.64 -0.75 4.56 4.58 2ok5A1 TYR 441 HB2 0.00 -0.02 0.11 -0.04 3.06 3.11 2ok5A1 TYR 441 HB3 0.01 0.09 -0.04 -0.04 2.98 3.01 2ok5A1 TYR 441 HD2 -0.00 -0.06 -0.10 -0.04 7.15 6.95 2ok5A1 TYR 441 HE2 -0.02 -0.06 -0.06 -0.04 6.85 6.68 2ok5A1 GLN 442 H 0.11 0.48 -0.20 -0.55 8.47 8.32 2ok5A1 GLN 442 HA 0.17 0.09 0.48 -0.75 4.36 4.35 2ok5A1 GLN 442 HB2 0.04 0.01 0.09 -0.04 2.15 2.25 2ok5A1 GLN 442 HB3 -0.00 0.15 0.15 -0.04 2.02 2.27 2ok5A1 GLN 442 HG2 -0.21 -0.08 0.00 -0.04 2.40 2.07 2ok5A1 GLN 442 HG3 0.26 -0.00 -0.20 -0.04 2.39 2.41 2ok5A1 GLN 442 HE21 0.02 0.55 0.16 -0.04 6.97 7.66 2ok5A1 GLN 442 HE22 -0.45 -0.17 0.10 -0.04 7.69 7.14 2ok5A1 MET 443 H 0.11 0.34 -0.16 -0.55 8.47 8.21 2ok5A1 MET 443 HA 0.38 0.03 0.34 -0.75 4.52 4.52 2ok5A1 MET 443 HB2 0.13 0.05 0.10 -0.04 2.15 2.39 2ok5A1 MET 443 HB3 0.19 0.01 -0.02 -0.04 2.03 2.17 2ok5A1 MET 443 HG2 0.27 0.03 0.06 -0.04 2.63 2.95 2ok5A1 MET 443 HG3 0.03 0.11 0.11 -0.04 2.56 2.78 2ok5A1 MET 443 HE3 0.39 0.01 -0.06 -0.04 2.10 2.40 2ok5A1 ILE 444 H 0.14 0.33 -0.36 -0.55 8.25 7.81 2ok5A1 ILE 444 HA 0.06 0.04 0.51 -0.75 4.18 4.04 2ok5A1 ILE 444 HB 0.15 0.11 0.18 -0.04 1.89 2.29 2ok5A1 ILE 444 HG12 0.11 0.14 0.10 -0.04 1.49 1.79 2ok5A1 ILE 444 HG13 0.08 -0.09 0.06 -0.04 1.21 1.23 2ok5A1 ILE 444 HG23 0.07 -0.02 -0.09 -0.04 0.93 0.85 2ok5A1 ILE 444 HD13 0.04 0.01 0.00 -0.04 0.88 0.89 2ok5A1 ASP 445 H 0.14 0.37 -0.33 -0.55 8.40 8.04 2ok5A1 ASP 445 HA 0.06 -0.00 0.42 -0.75 4.63 4.35 2ok5A1 ASP 445 HB2 0.15 0.08 0.12 -0.04 2.71 3.03 2ok5A1 ASP 445 HB3 0.11 -0.05 -0.00 -0.04 2.70 2.71 2ok5A1 GLU 446 H 0.07 0.27 -0.54 -0.55 8.60 7.86 2ok5A1 GLU 446 HA -0.11 -0.00 0.24 -0.75 4.29 3.66 2ok5A1 GLU 446 HB2 -0.20 0.03 0.10 -0.04 2.09 1.98 2ok5A1 GLU 446 HB3 -0.22 0.07 0.05 -0.04 1.99 1.85 2ok5A1 GLU 446 HG2 -0.82 -0.00 -0.03 -0.04 2.34 1.44 2ok5A1 GLU 446 HG3 -2.69 -0.09 -0.04 -0.04 2.34 -0.52 2ok5A1 SER 447 H -0.06 0.21 -0.22 -0.55 8.46 7.84 2ok5A1 SER 447 HA -0.10 0.10 0.43 -0.75 4.49 4.17 2ok5A1 SER 447 HB2 -0.07 -0.05 0.09 -0.04 3.95 3.88 2ok5A1 SER 447 HB3 -0.10 -0.01 0.04 -0.04 3.93 3.81 2ok5A1 GLN 448 H -0.02 0.21 -0.44 -0.55 8.47 7.68 2ok5A1 GLN 448 HA -0.00 -0.06 0.47 -0.75 4.36 4.01 2ok5A1 GLN 448 HB2 0.02 0.29 0.09 -0.04 2.15 2.51 2ok5A1 GLN 448 HB3 0.02 0.01 -0.02 -0.04 2.02 1.99 2ok5A1 GLN 448 HG2 0.02 0.01 0.01 -0.04 2.40 2.39 2ok5A1 GLN 448 HG3 0.01 -0.11 0.05 -0.04 2.39 2.29 2ok5A1 GLN 448 HE21 -0.01 -0.00 -0.04 -0.04 6.97 6.88 2ok5A1 GLN 448 HE22 0.00 -0.08 0.01 -0.04 7.69 7.59 2ok5A1 SER 449 H 0.01 0.00 0.14 -0.55 8.46 8.07 2ok5A1 SER 449 HA 0.02 0.16 0.38 -0.75 4.49 4.29 2ok5A1 SER 449 HB2 0.05 -0.05 0.16 -0.04 3.95 4.07 2ok5A1 SER 449 HB3 0.03 0.06 0.15 -0.04 3.93 4.13 2ok5A1 LEU 450 H 0.06 0.11 0.15 -0.55 8.37 8.14 2ok5A1 LEU 450 HA 0.04 0.23 0.38 -0.75 4.35 4.25 2ok5A1 LEU 450 HB2 0.11 -0.08 0.06 -0.04 1.64 1.69 2ok5A1 LEU 450 HB3 0.10 0.02 -0.03 -0.04 1.64 1.69 2ok5A1 LEU 450 HG 0.07 0.09 -0.13 -0.04 1.64 1.64 2ok5A1 LEU 450 HD13 0.05 0.02 -0.07 -0.04 0.93 0.90 2ok5A1 LEU 450 HD23 0.07 -0.01 -0.17 -0.04 0.89 0.74 2ok5A1 SER 451 H 0.11 -0.07 -0.37 -0.55 8.46 7.58 2ok5A1 SER 451 HA -0.03 0.08 0.45 -0.75 4.49 4.24 2ok5A1 SER 451 HB2 0.11 -0.06 -0.02 -0.04 3.95 3.94 2ok5A1 SER 451 HB3 0.12 0.02 -0.04 -0.04 3.93 3.99 2ok5A1 LEU 452 H 0.03 0.39 -0.38 -0.55 8.37 7.86 2ok5A1 LEU 452 HA 0.01 -0.12 0.43 -0.75 4.35 3.91 2ok5A1 LEU 452 HB2 0.03 0.01 0.02 -0.04 1.64 1.66 2ok5A1 LEU 452 HB3 0.04 0.07 -0.03 -0.04 1.64 1.67 2ok5A1 LEU 452 HG 0.03 0.09 -0.20 -0.04 1.64 1.51 2ok5A1 LEU 452 HD13 0.01 -0.05 -0.01 -0.04 0.93 0.84 2ok5A1 LEU 452 HD23 0.05 -0.00 -0.05 -0.04 0.89 0.84 2ok5A1 CYS 453 H -0.01 -0.03 0.16 -0.55 8.50 8.07 2ok5A1 CYS 453 HA -0.03 0.26 0.30 -0.75 4.58 4.36 2ok5A1 CYS 453 HB2 -0.04 0.03 -0.41 -0.04 2.97 2.50 2ok5A1 CYS 453 HB3 -0.03 0.03 0.04 -0.04 2.97 2.97 2ok5A1 GLY 454 H 0.04 0.87 0.36 -0.55 8.43 9.16 2ok5A1 GLY 454 HA2 0.12 -0.00 0.39 -0.51 4.01 4.01 2ok5A1 GLY 454 HA3 0.04 0.05 0.43 -0.51 4.01 4.02 2ok5A1 MET 455 H 0.15 0.33 -0.18 -0.55 8.47 8.23 2ok5A1 MET 455 HA 0.22 0.16 0.88 -0.75 4.52 5.02 2ok5A1 MET 455 HB2 0.10 0.04 -0.26 -0.04 2.15 1.99 2ok5A1 MET 455 HB3 0.14 0.02 -0.13 -0.04 2.03 2.02 2ok5A1 MET 455 HG2 0.14 0.05 0.00 -0.04 2.63 2.78 2ok5A1 MET 455 HG3 0.11 -0.01 -0.11 -0.04 2.56 2.51 2ok5A1 MET 455 HE3 0.20 0.00 -0.31 -0.04 2.10 1.95 2ok5A1 VAL 456 H 0.29 0.27 0.07 -0.55 8.24 8.32 2ok5A1 VAL 456 HA 0.21 0.20 0.82 -0.75 4.13 4.60 2ok5A1 VAL 456 HB 0.34 -0.10 0.04 -0.04 2.12 2.35 2ok5A1 VAL 456 HG13 0.07 0.06 -0.04 -0.04 0.97 1.01 2ok5A1 VAL 456 HG23 0.18 0.02 -0.30 -0.04 0.95 0.81 2ok5A1 TRP 457 H 0.28 0.19 0.07 -0.55 7.97 7.97 2ok5A1 TRP 457 HA -0.06 0.09 0.69 -0.75 4.62 4.60 2ok5A1 TRP 457 HB2 -0.08 0.11 0.03 -0.04 3.23 3.24 2ok5A1 TRP 457 HB3 -0.54 -0.03 0.03 -0.04 3.23 2.64 2ok5A1 TRP 457 HD1 -0.67 -0.10 -0.31 -0.04 7.22 6.10 2ok5A1 TRP 457 HE1 -0.04 0.00 -0.11 -0.04 10.20 10.01 2ok5A1 TRP 457 HE3 -0.01 0.05 -0.09 -0.04 7.59 7.50 2ok5A1 TRP 457 HZ2 -0.00 0.03 -0.09 -0.04 7.44 7.33 2ok5A1 TRP 457 HZ3 0.00 0.12 -0.31 -0.04 7.13 6.90 2ok5A1 TRP 457 HH2 0.01 0.04 -0.19 -0.04 7.19 7.00 2ok5A1 GLU 458 H -1.18 0.18 0.05 -0.55 8.60 7.10 2ok5A1 GLU 458 HA -0.19 0.15 0.50 -0.75 4.29 3.99 2ok5A1 GLU 458 HB2 -0.31 -0.08 -0.12 -0.04 2.09 1.54 2ok5A1 GLU 458 HB3 -0.60 0.11 0.09 -0.04 1.99 1.54 2ok5A1 GLU 458 HG2 -0.18 -0.09 -0.10 -0.04 2.34 1.93 2ok5A1 GLU 458 HG3 -0.15 0.05 -0.19 -0.04 2.34 2.01 2ok5A1 HIS 459 H -0.08 0.47 -0.06 -0.55 8.41 8.19 2ok5A1 HIS 459 HA 0.16 0.06 0.48 -0.75 4.63 4.57 2ok5A1 HIS 459 HB2 -0.03 -0.01 0.10 -0.04 3.26 3.28 2ok5A1 HIS 459 HB3 -0.03 -0.09 -0.02 -0.04 3.20 3.02 2ok5A1 HIS 459 HD2 0.23 0.12 0.09 -0.04 6.97 7.36 2ok5A1 HIS 459 HE1 0.10 0.06 -0.03 -0.04 7.75 7.83 2ok5A1 ARG 460 H 0.12 0.17 0.17 -0.55 8.46 8.36 2ok5A1 ARG 460 HA 0.01 0.11 0.29 -0.75 4.34 4.00 2ok5A1 ARG 460 HB2 0.04 0.07 0.12 -0.04 1.90 2.09 2ok5A1 ARG 460 HB3 0.05 -0.04 0.11 -0.04 1.80 1.88 2ok5A1 ARG 460 HG2 0.01 -0.02 -0.15 -0.04 1.67 1.47 2ok5A1 ARG 460 HG3 0.01 -0.00 0.04 -0.04 1.67 1.68 2ok5A1 ARG 460 HD2 0.02 0.03 -0.01 -0.04 3.22 3.21 2ok5A1 ARG 460 HD3 0.03 0.02 -0.00 -0.04 3.22 3.23 2ok5A1 LYS 461 H 0.02 0.04 -0.16 -0.55 8.42 7.76 2ok5A1 LYS 461 HA -0.02 0.24 0.79 -0.75 4.32 4.58 2ok5A1 LYS 461 HB2 -0.04 -0.02 0.02 -0.04 1.87 1.79 2ok5A1 LYS 461 HB3 -0.03 0.01 0.14 -0.04 1.79 1.87 2ok5A1 LYS 461 HG2 0.00 -0.06 -0.09 -0.04 1.46 1.28 2ok5A1 LYS 461 HG3 -0.01 0.02 -0.01 -0.04 1.46 1.41 2ok5A1 LYS 461 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 2ok5A1 LYS 461 HD3 -0.01 0.11 -0.19 -0.04 1.68 1.55 2ok5A1 LYS 461 HE2 0.00 0.01 -0.07 -0.04 2.99 2.89 2ok5A1 LYS 461 HE3 -0.00 -0.00 -0.03 -0.04 2.99 2.91 2ok5A1 GLY 462 H -0.03 0.29 -0.55 -0.55 8.43 7.59 2ok5A1 GLY 462 HA2 -0.57 -0.03 0.36 -0.51 4.01 3.26 2ok5A1 GLY 462 HA3 -0.13 0.08 0.23 -0.51 4.01 3.69 2ok5A1 THR 463 H 0.48 0.01 0.13 -0.55 8.28 8.35 2ok5A1 THR 463 HA 0.06 0.28 0.78 -0.75 4.39 4.76 2ok5A1 THR 463 HB 0.09 -0.04 0.21 -0.04 4.32 4.54 2ok5A1 THR 463 HG23 0.10 0.04 -0.01 -0.04 1.22 1.32 2ok5A1 ASP 464 H 0.03 0.20 0.17 -0.55 8.40 8.24 2ok5A1 ASP 464 HA -0.12 0.15 0.37 -0.75 4.63 4.27 2ok5A1 ASP 464 HB2 -0.11 0.03 0.15 -0.04 2.71 2.75 2ok5A1 ASP 464 HB3 -0.33 0.03 0.08 -0.04 2.70 2.44 2ok5A1 TYR 465 H 0.08 0.07 -0.19 -0.55 8.29 7.69 2ok5A1 TYR 465 HA -0.23 0.19 0.59 -0.75 4.56 4.35 2ok5A1 TYR 465 HB2 -0.16 -0.00 -0.06 -0.04 3.06 2.80 2ok5A1 TYR 465 HB3 -0.21 0.15 0.04 -0.04 2.98 2.92 2ok5A1 TYR 465 HD2 -0.14 0.08 0.00 -0.04 7.15 7.05 2ok5A1 TYR 465 HE2 -0.09 0.13 -0.04 -0.04 6.85 6.82 2ok5A1 HIS 466 H 0.07 0.03 -0.34 -0.55 8.41 7.63 2ok5A1 HIS 466 HA 0.03 0.35 0.76 -0.75 4.63 5.01 2ok5A1 HIS 466 HB2 0.04 0.12 0.03 -0.04 3.26 3.40 2ok5A1 HIS 466 HB3 0.17 0.05 0.08 -0.04 3.20 3.46 2ok5A1 HIS 466 HD2 -0.08 0.10 -0.02 -0.04 6.97 6.92 2ok5A1 HIS 466 HE1 -0.02 0.05 -0.02 -0.04 7.75 7.73 2ok5A1 LYS 467 H -0.09 0.14 -0.37 -0.55 8.42 7.54 2ok5A1 LYS 467 HA -0.07 0.19 0.71 -0.75 4.32 4.39 2ok5A1 LYS 467 HB2 -0.17 0.04 -0.00 -0.04 1.87 1.70 2ok5A1 LYS 467 HB3 -0.11 -0.07 0.01 -0.04 1.79 1.59 2ok5A1 LYS 467 HG2 0.00 0.01 -0.16 -0.04 1.46 1.27 2ok5A1 LYS 467 HG3 -0.01 0.22 -0.11 -0.04 1.46 1.53 2ok5A1 LYS 467 HD2 -0.06 -0.03 -0.06 -0.04 1.69 1.49 2ok5A1 LYS 467 HD3 -0.03 -0.05 -0.07 -0.04 1.68 1.49 2ok5A1 LYS 467 HE2 -0.01 -0.02 -0.27 -0.04 2.99 2.65 2ok5A1 LYS 467 HE3 -0.02 -0.07 -0.09 -0.04 2.99 2.78 2ok5A1 GLN 468 H -0.45 0.25 -0.16 -0.55 8.47 7.56 2ok5A1 GLN 468 HA -1.83 0.18 0.62 -0.75 4.36 2.57 2ok5A1 GLN 468 HB2 -0.72 0.05 0.13 -0.04 2.15 1.56 2ok5A1 GLN 468 HB3 -1.27 -0.09 0.14 -0.04 2.02 0.76 2ok5A1 GLN 468 HG2 -0.30 -0.08 -0.11 -0.04 2.40 1.87 2ok5A1 GLN 468 HG3 -0.59 0.14 -0.07 -0.04 2.39 1.82 2ok5A1 GLN 468 HE21 -0.25 -0.00 -0.05 -0.04 6.97 6.62 2ok5A1 GLN 468 HE22 -0.46 0.06 -0.02 -0.04 7.69 7.24 2ok5A1 PRO 469 HA -0.16 0.29 0.30 -0.51 4.44 4.36 2ok5A1 PRO 469 HB2 -0.01 -0.12 -0.18 -0.04 2.28 1.92 2ok5A1 PRO 469 HB3 -0.05 0.22 -0.04 -0.04 2.02 2.10 2ok5A1 PRO 469 HG2 0.10 0.01 -0.10 -0.04 2.03 2.00 2ok5A1 PRO 469 HG3 0.03 0.15 -0.02 -0.04 2.03 2.15 2ok5A1 PRO 469 HD2 -0.58 0.08 -0.22 -0.04 3.68 2.92 2ok5A1 PRO 469 HD3 -0.27 0.17 -0.57 -0.04 3.65 2.94 2ok5A1 TRP 470 H -0.81 0.03 -0.50 -0.55 7.97 6.15 2ok5A1 TRP 470 HA -0.00 0.26 0.67 -0.75 4.62 4.79 2ok5A1 TRP 470 HB2 -0.01 -0.09 0.22 -0.04 3.23 3.30 2ok5A1 TRP 470 HB3 -0.05 0.10 -0.05 -0.04 3.23 3.19 2ok5A1 TRP 470 HD1 -0.00 -0.04 -0.27 -0.04 7.22 6.87 2ok5A1 TRP 470 HE1 -0.06 -0.03 -0.06 -0.04 10.20 10.01 2ok5A1 TRP 470 HE3 -0.14 0.08 -0.15 -0.04 7.59 7.35 2ok5A1 TRP 470 HZ2 -0.29 -0.05 -0.10 -0.04 7.44 6.96 2ok5A1 TRP 470 HZ3 -0.71 0.07 -0.15 -0.04 7.13 6.30 2ok5A1 TRP 470 HH2 -1.33 0.02 -0.06 -0.04 7.19 5.77 2ok5A1 GLN 471 H -0.47 0.45 -0.13 -0.55 8.47 7.77 2ok5A1 GLN 471 HA 0.15 0.12 0.47 -0.75 4.36 4.35 2ok5A1 GLN 471 HB2 -0.50 -0.00 0.15 -0.04 2.15 1.75 2ok5A1 GLN 471 HB3 -0.12 -0.03 0.13 -0.04 2.02 1.96 2ok5A1 GLN 471 HG2 -0.11 -0.08 -0.06 -0.04 2.40 2.11 2ok5A1 GLN 471 HG3 0.07 0.07 -0.08 -0.04 2.39 2.40 2ok5A1 GLN 471 HE21 0.15 -0.01 0.10 -0.04 6.97 7.17 2ok5A1 GLN 471 HE22 0.09 -0.01 0.01 -0.04 7.69 7.74 2ok5A1 ALA 472 H 0.15 0.59 0.38 -0.55 8.40 8.97 2ok5A1 ALA 472 HA 0.08 0.27 1.06 -0.75 4.34 5.01 2ok5A1 ALA 472 HB3 0.11 -0.04 -0.15 -0.04 1.41 1.28 2ok5A1 LYS 473 H 0.06 0.68 0.35 -0.55 8.42 8.95 2ok5A1 LYS 473 HA 0.08 0.27 1.06 -0.75 4.32 4.98 2ok5A1 LYS 473 HB2 0.04 -0.02 0.16 -0.04 1.87 2.01 2ok5A1 LYS 473 HB3 0.05 0.02 -0.05 -0.04 1.79 1.77 2ok5A1 LYS 473 HG2 0.09 0.11 0.04 -0.04 1.46 1.65 2ok5A1 LYS 473 HG3 0.12 -0.04 -0.12 -0.04 1.46 1.37 2ok5A1 LYS 473 HD2 0.09 -0.06 -0.08 -0.04 1.69 1.59 2ok5A1 LYS 473 HD3 0.05 -0.02 -0.07 -0.04 1.68 1.61 2ok5A1 LYS 473 HE2 0.05 0.05 -0.07 -0.04 2.99 2.99 2ok5A1 LYS 473 HE3 0.07 0.06 -0.03 -0.04 2.99 3.05 2ok5A1 ILE 474 H 0.06 0.72 0.22 -0.55 8.25 8.71 2ok5A1 ILE 474 HA 0.07 0.31 1.05 -0.75 4.18 4.87 2ok5A1 ILE 474 HB 0.05 -0.05 -0.09 -0.04 1.89 1.76 2ok5A1 ILE 474 HG12 0.21 -0.02 -0.24 -0.04 1.49 1.39 2ok5A1 ILE 474 HG13 0.11 0.03 -0.30 -0.04 1.21 1.01 2ok5A1 ILE 474 HG23 0.15 -0.00 -0.27 -0.04 0.93 0.77 2ok5A1 ILE 474 HD13 0.10 0.01 -0.55 -0.04 0.88 0.40 2ok5A1 SER 475 H 0.06 0.68 0.32 -0.55 8.46 8.98 2ok5A1 SER 475 HA 0.06 0.37 0.99 -0.75 4.49 5.16 2ok5A1 SER 475 HB2 0.00 -0.04 0.03 -0.04 3.95 3.90 2ok5A1 SER 475 HB3 -0.01 -0.03 -0.05 -0.04 3.93 3.79 2ok5A1 VAL 476 H 0.08 0.52 0.25 -0.55 8.24 8.53 2ok5A1 VAL 476 HA 0.09 0.36 0.98 -0.75 4.13 4.81 2ok5A1 VAL 476 HB 0.05 -0.09 0.12 -0.04 2.12 2.16 2ok5A1 VAL 476 HG13 0.12 0.00 -0.16 -0.04 0.97 0.88 2ok5A1 VAL 476 HG23 0.09 0.03 -0.20 -0.04 0.95 0.82 2ok5A1 ILE 477 H 0.06 0.59 0.23 -0.55 8.25 8.58 2ok5A1 ILE 477 HA 0.10 0.07 0.84 -0.75 4.18 4.44 2ok5A1 ILE 477 HB 0.06 -0.01 0.14 -0.04 1.89 2.04 2ok5A1 ILE 477 HG12 0.03 0.17 -0.00 -0.04 1.49 1.65 2ok5A1 ILE 477 HG13 0.03 -0.03 -0.02 -0.04 1.21 1.15 2ok5A1 ILE 477 HG23 0.06 -0.02 -0.14 -0.04 0.93 0.79 2ok5A1 ILE 477 HD13 0.00 -0.01 -0.19 -0.04 0.88 0.65 2ok5A1 ARG 478 H 0.08 0.26 0.06 -0.55 8.46 8.31 2ok5A1 ARG 478 HA 0.05 0.16 0.77 -0.75 4.34 4.56 2ok5A1 ARG 478 HB2 0.05 0.03 -0.14 -0.04 1.90 1.80 2ok5A1 ARG 478 HB3 0.05 -0.01 -0.06 -0.04 1.80 1.75 2ok5A1 ARG 478 HG2 0.07 0.05 -0.75 -0.04 1.67 1.00 2ok5A1 ARG 478 HG3 0.07 0.07 -0.18 -0.04 1.67 1.59 2ok5A1 ARG 478 HD2 0.05 0.06 -0.10 -0.04 3.22 3.19 2ok5A1 ARG 478 HD3 0.05 -0.04 -0.11 -0.04 3.22 3.08 2ok5A1 PRO 479 HA 0.04 -0.04 0.41 -0.51 4.44 4.35 2ok5A1 PRO 479 HB2 0.04 0.03 -0.03 -0.04 2.28 2.28 2ok5A1 PRO 479 HB3 0.04 0.01 0.08 -0.04 2.02 2.11 2ok5A1 PRO 479 HG2 0.04 0.04 0.07 -0.04 2.03 2.13 2ok5A1 PRO 479 HG3 0.04 0.04 0.06 -0.04 2.03 2.13 2ok5A1 PRO 479 HD2 0.05 0.12 0.20 -0.04 3.68 4.00 2ok5A1 PRO 479 HD3 0.05 0.14 0.06 -0.04 3.65 3.87 2ok5A1 SER 480 H 0.04 0.08 0.19 -0.55 8.46 8.22 2ok5A1 SER 480 HA 0.03 -0.02 0.34 -0.75 4.49 4.08 2ok5A1 SER 480 HB2 0.02 0.15 -0.06 -0.04 3.95 4.03 2ok5A1 SER 480 HB3 0.02 -0.02 0.17 -0.04 3.93 4.06 2ok5A1 LYS 481 H 0.04 0.29 0.06 -0.55 8.42 8.25 2ok5A1 LYS 481 HA 0.02 0.01 0.64 -0.75 4.32 4.23 2ok5A1 LYS 481 HB2 0.02 0.09 -0.30 -0.04 1.87 1.64 2ok5A1 LYS 481 HB3 0.03 0.10 -0.54 -0.04 1.79 1.35 2ok5A1 LYS 481 HG2 0.02 0.27 -0.21 -0.04 1.46 1.50 2ok5A1 LYS 481 HG3 0.02 -0.11 0.03 -0.04 1.46 1.35 2ok5A1 LYS 481 HD2 0.04 -0.03 -0.19 -0.04 1.69 1.47 2ok5A1 LYS 481 HD3 0.03 0.02 -0.09 -0.04 1.68 1.60 2ok5A1 LYS 481 HE2 0.03 -0.05 -0.06 -0.04 2.99 2.87 2ok5A1 LYS 481 HE3 0.02 -0.03 -0.04 -0.04 2.99 2.90 2ok5A1 GLY 482 H -0.00 0.09 0.11 -0.55 8.43 8.09 2ok5A1 GLY 482 HA2 -0.05 -0.01 0.49 -0.51 4.01 3.94 2ok5A1 GLY 482 HA3 -0.06 0.02 0.32 -0.51 4.01 3.78 2ok5A1 HIS 483 H -0.14 0.03 0.21 -0.55 8.41 7.97 2ok5A1 HIS 483 HA 0.03 0.12 0.71 -0.75 4.63 4.74 2ok5A1 HIS 483 HB2 0.03 0.17 0.07 -0.04 3.26 3.49 2ok5A1 HIS 483 HB3 0.03 -0.08 0.16 -0.04 3.20 3.26 2ok5A1 HIS 483 HD2 0.02 0.13 -0.44 -0.04 6.97 6.64 2ok5A1 HIS 483 HE1 0.02 -0.03 0.00 -0.04 7.75 7.70 2ok5A1 GLU 484 H 0.11 0.47 0.33 -0.55 8.60 8.97 2ok5A1 GLU 484 HA 0.03 0.05 0.69 -0.75 4.29 4.32 2ok5A1 GLU 484 HB2 0.02 0.02 0.11 -0.04 2.09 2.20 2ok5A1 GLU 484 HB3 0.02 -0.11 0.19 -0.04 1.99 2.05 2ok5A1 GLU 484 HG2 -0.16 0.24 0.03 -0.04 2.34 2.41 2ok5A1 GLU 484 HG3 -0.06 -0.02 -0.22 -0.04 2.34 2.00 2ok5A1 SER 485 H 0.05 0.22 0.16 -0.55 8.46 8.34 2ok5A1 SER 485 HA 0.08 0.36 0.83 -0.75 4.49 5.01 2ok5A1 SER 485 HB2 0.10 0.03 0.10 -0.04 3.95 4.14 2ok5A1 SER 485 HB3 0.21 -0.02 -0.00 -0.04 3.93 4.07 2ok5A1 CYS 486 H 0.03 0.62 0.31 -0.55 8.50 8.91 2ok5A1 CYS 486 HA 0.03 0.18 0.83 -0.75 4.58 4.87 2ok5A1 CYS 486 HB2 -0.10 -0.07 -0.03 -0.04 2.97 2.73 2ok5A1 CYS 486 HB3 -0.05 0.14 0.10 -0.04 2.97 3.12 2ok5A1 MET 487 H 0.05 0.74 0.28 -0.55 8.47 9.00 2ok5A1 MET 487 HA 0.08 0.23 1.09 -0.75 4.52 5.17 2ok5A1 MET 487 HB2 0.10 -0.02 -0.04 -0.04 2.15 2.16 2ok5A1 MET 487 HB3 0.12 -0.01 0.21 -0.04 2.03 2.30 2ok5A1 MET 487 HG2 0.08 0.22 -0.05 -0.04 2.63 2.84 2ok5A1 MET 487 HG3 0.11 -0.09 0.10 -0.04 2.56 2.64 2ok5A1 MET 487 HE3 0.07 -0.02 -0.13 -0.04 2.10 1.97 2ok5A1 GLY 488 H 0.13 0.49 0.39 -0.55 8.43 8.88 2ok5A1 GLY 488 HA2 0.12 0.32 0.62 -0.51 4.01 4.56 2ok5A1 GLY 488 HA3 0.13 -0.06 0.25 -0.51 4.01 3.82 2ok5A1 ALA 489 H 0.14 0.56 0.35 -0.55 8.40 8.91 2ok5A1 ALA 489 HA 0.29 0.32 1.00 -0.75 4.34 5.20 2ok5A1 ALA 489 HB3 0.12 -0.01 0.06 -0.04 1.41 1.54 2ok5A1 VAL 490 H 0.23 0.74 0.31 -0.55 8.24 8.96 2ok5A1 VAL 490 HA 0.15 0.10 0.80 -0.75 4.13 4.43 2ok5A1 VAL 490 HB 0.17 0.08 0.13 -0.04 2.12 2.46 2ok5A1 VAL 490 HG13 0.21 -0.00 -0.22 -0.04 0.97 0.92 2ok5A1 VAL 490 HG23 0.13 0.03 -0.06 -0.04 0.95 1.01 2ok5A1 VAL 491 H 0.16 0.51 0.43 -0.55 8.24 8.80 2ok5A1 VAL 491 HA 0.07 0.25 1.02 -0.75 4.13 4.72 2ok5A1 VAL 491 HB 0.05 -0.02 0.07 -0.04 2.12 2.18 2ok5A1 VAL 491 HG13 0.06 0.04 -0.15 -0.04 0.97 0.88 2ok5A1 VAL 491 HG23 0.12 -0.00 -0.17 -0.04 0.95 0.85 2ok5A1 SER 492 H 0.21 0.36 0.35 -0.55 8.46 8.83 2ok5A1 SER 492 HA 0.26 0.21 0.34 -0.75 4.49 4.54 2ok5A1 SER 492 HB2 0.21 0.02 0.27 -0.04 3.95 4.40 2ok5A1 SER 492 HB3 0.17 0.22 0.08 -0.04 3.93 4.36 2ok5A1 GLU 493 H 0.13 0.24 0.18 -0.55 8.60 8.60 2ok5A1 GLU 493 HA -0.13 0.14 0.37 -0.75 4.29 3.91 2ok5A1 GLU 493 HB2 -0.09 -0.00 0.16 -0.04 2.09 2.11 2ok5A1 GLU 493 HB3 -0.36 -0.03 0.17 -0.04 1.99 1.73 2ok5A1 GLU 493 HG2 -0.82 0.22 0.08 -0.04 2.34 1.78 2ok5A1 GLU 493 HG3 -0.59 -0.04 0.02 -0.04 2.34 1.69 2ok5A1 TYR 494 H 0.22 -0.04 -0.34 -0.55 8.29 7.57 2ok5A1 TYR 494 HA -0.13 0.29 0.93 -0.75 4.56 4.90 2ok5A1 TYR 494 HB2 -0.02 -0.05 -0.01 -0.04 3.06 2.93 2ok5A1 TYR 494 HB3 -0.53 0.01 0.02 -0.04 2.98 2.44 2ok5A1 TYR 494 HD2 -0.10 0.05 -0.11 -0.04 7.15 6.94 2ok5A1 TYR 494 HE2 -0.06 0.08 -0.17 -0.04 6.85 6.67 2ok5A1 PHE 495 H 0.24 0.13 -0.12 -0.55 8.34 8.03 2ok5A1 PHE 495 HA 0.06 0.48 1.21 -0.75 4.62 5.61 2ok5A1 PHE 495 HB2 0.05 -0.10 -0.03 -0.04 3.15 3.03 2ok5A1 PHE 495 HB3 0.02 0.04 -0.15 -0.04 3.06 2.92 2ok5A1 PHE 495 HD2 0.02 -0.07 -0.25 -0.04 7.28 6.95 2ok5A1 PHE 495 HE2 -0.06 -0.02 -0.14 -0.04 7.38 7.12 2ok5A1 PHE 495 HZ -0.09 0.03 -0.06 -0.04 7.32 7.15 2ok5A1 VAL 496 H 0.17 0.66 0.33 -0.55 8.24 8.85 2ok5A1 VAL 496 HA 0.15 0.27 0.88 -0.75 4.13 4.68 2ok5A1 VAL 496 HB 0.10 -0.03 0.06 -0.04 2.12 2.21 2ok5A1 VAL 496 HG13 0.12 -0.01 -0.31 -0.04 0.97 0.73 2ok5A1 VAL 496 HG23 0.09 0.00 -0.24 -0.04 0.95 0.76 2ok5A1 LEU 497 H 0.14 0.65 0.30 -0.55 8.37 8.91 2ok5A1 LEU 497 HA 0.16 0.17 0.97 -0.75 4.35 4.89 2ok5A1 LEU 497 HB2 0.10 -0.06 0.05 -0.04 1.64 1.69 2ok5A1 LEU 497 HB3 0.11 0.02 0.19 -0.04 1.64 1.92 2ok5A1 LEU 497 HG 0.13 0.06 -0.18 -0.04 1.64 1.61 2ok5A1 LEU 497 HD13 0.23 0.02 0.01 -0.04 0.93 1.15 2ok5A1 LEU 497 HD23 0.09 -0.02 -0.08 -0.04 0.89 0.84 2ok5A1 THR 498 H 0.16 0.60 0.38 -0.55 8.28 8.87 2ok5A1 THR 498 HA 0.11 0.42 0.87 -0.75 4.39 5.04 2ok5A1 THR 498 HB 0.14 -0.06 -0.25 -0.04 4.32 4.11 2ok5A1 THR 498 HG23 0.27 0.03 -0.19 -0.04 1.22 1.29 2ok5A1 ALA 499 H 0.00 0.20 0.28 -0.55 8.40 8.33 2ok5A1 ALA 499 HA 0.04 0.30 0.89 -0.75 4.34 4.81 2ok5A1 ALA 499 HB3 -0.10 0.00 0.16 -0.04 1.41 1.43 2ok5A1 ALA 500 H -0.10 0.18 -0.37 -0.55 8.40 7.56 2ok5A1 ALA 500 HA 0.06 0.14 0.46 -0.75 4.34 4.24 2ok5A1 ALA 500 HB3 -0.64 0.04 -0.03 -0.04 1.41 0.74 2ok5A1 HIS 501 H -0.00 0.09 -0.19 -0.55 8.41 7.76 2ok5A1 HIS 501 HA 0.24 0.13 0.29 -0.75 4.63 4.54 2ok5A1 HIS 501 HB2 0.27 0.02 0.09 -0.04 3.26 3.60 2ok5A1 HIS 501 HB3 0.37 -0.04 0.06 -0.04 3.20 3.54 2ok5A1 HIS 501 HD2 0.11 -0.00 -0.26 -0.04 6.97 6.78 2ok5A1 HIS 501 HE1 0.11 0.07 0.24 -0.04 7.75 8.13 2ok5A1 CYS 502 H -0.39 0.13 -0.62 -0.55 8.50 7.07 2ok5A1 CYS 502 HA -0.22 0.09 0.51 -0.75 4.58 4.20 2ok5A1 CYS 502 HB2 -1.18 0.09 -0.12 -0.04 2.97 1.73 2ok5A1 CYS 502 HB3 -0.65 -0.03 -0.04 -0.04 2.97 2.22 2ok5A1 PHE 503 H 0.10 0.50 -0.33 -0.55 8.34 8.07 2ok5A1 PHE 503 HA 0.12 0.12 0.85 -0.75 4.62 4.96 2ok5A1 PHE 503 HB2 0.32 -0.00 -0.12 -0.04 3.15 3.31 2ok5A1 PHE 503 HB3 0.20 0.05 -0.04 -0.04 3.06 3.23 2ok5A1 PHE 503 HD2 -0.04 0.02 -0.13 -0.04 7.28 7.09 2ok5A1 PHE 503 HE2 -0.05 0.03 -0.21 -0.04 7.38 7.12 2ok5A1 PHE 503 HZ -0.02 -0.00 -0.22 -0.04 7.32 7.04 2ok5A1 THR 504 H 0.25 0.12 0.10 -0.55 8.28 8.20 2ok5A1 THR 504 HA 0.17 0.26 0.72 -0.75 4.39 4.79 2ok5A1 THR 504 HB 0.07 -0.12 0.18 -0.04 4.32 4.41 2ok5A1 THR 504 HG23 0.11 0.04 -0.12 -0.04 1.22 1.21 2ok5A1 VAL 505 H 0.02 0.15 0.12 -0.55 8.24 7.98 2ok5A1 VAL 505 HA 0.05 0.16 0.49 -0.75 4.13 4.07 2ok5A1 VAL 505 HB -0.06 0.04 0.11 -0.04 2.12 2.16 2ok5A1 VAL 505 HG13 -0.01 -0.01 0.06 -0.04 0.97 0.97 2ok5A1 VAL 505 HG23 0.00 0.01 -0.06 -0.04 0.95 0.86 2ok5A1 ASP 506 H 0.06 0.00 -0.21 -0.55 8.40 7.70 2ok5A1 ASP 506 HA 0.04 0.10 0.36 -0.75 4.63 4.37 2ok5A1 ASP 506 HB2 0.05 0.03 -0.06 -0.04 2.71 2.69 2ok5A1 ASP 506 HB3 0.04 0.03 0.06 -0.04 2.70 2.78 2ok5A1 ASP 507 H 0.10 0.16 -0.47 -0.55 8.40 7.64 2ok5A1 ASP 507 HA 0.04 0.05 0.59 -0.75 4.63 4.55 2ok5A1 ASP 507 HB2 0.19 0.12 0.11 -0.04 2.71 3.08 2ok5A1 ASP 507 HB3 0.13 0.07 -0.06 -0.04 2.70 2.80 2ok5A1 LYS 508 H -0.08 0.16 0.24 -0.55 8.42 8.19 2ok5A1 LYS 508 HA -0.05 0.14 0.63 -0.75 4.32 4.27 2ok5A1 LYS 508 HB2 -0.70 -0.07 0.11 -0.04 1.87 1.17 2ok5A1 LYS 508 HB3 -0.24 -0.05 0.13 -0.04 1.79 1.59 2ok5A1 LYS 508 HG2 -0.03 0.14 0.06 -0.04 1.46 1.59 2ok5A1 LYS 508 HG3 -0.04 0.01 0.10 -0.04 1.46 1.49 2ok5A1 LYS 508 HD2 0.15 -0.04 0.05 -0.04 1.69 1.81 2ok5A1 LYS 508 HD3 0.04 0.03 0.05 -0.04 1.68 1.75 2ok5A1 LYS 508 HE2 0.05 0.02 0.02 -0.04 2.99 3.04 2ok5A1 LYS 508 HE3 0.07 0.02 0.04 -0.04 2.99 3.08 2ok5A1 GLU 509 H -0.05 0.17 0.16 -0.55 8.60 8.33 2ok5A1 GLU 509 HA -0.04 0.11 0.29 -0.75 4.29 3.90 2ok5A1 GLU 509 HB2 0.02 -0.05 0.10 -0.04 2.09 2.11 2ok5A1 GLU 509 HB3 0.00 0.10 -0.08 -0.04 1.99 1.98 2ok5A1 GLU 509 HG2 -0.02 0.24 -0.23 -0.04 2.34 2.30 2ok5A1 GLU 509 HG3 -0.03 -0.04 -0.08 -0.04 2.34 2.15 2ok5A1 HIS 510 H -0.19 0.01 -0.25 -0.55 8.41 7.44 2ok5A1 HIS 510 HA 0.02 0.16 0.51 -0.75 4.63 4.56 2ok5A1 HIS 510 HB2 0.02 0.03 0.08 -0.04 3.26 3.35 2ok5A1 HIS 510 HB3 0.01 -0.01 0.08 -0.04 3.20 3.24 2ok5A1 HIS 510 HD2 0.03 0.04 -0.22 -0.04 6.97 6.77 2ok5A1 HIS 510 HE1 0.02 0.01 0.02 -0.04 7.75 7.76 2ok5A1 SER 511 H -0.24 0.34 -0.34 -0.55 8.46 7.68 2ok5A1 SER 511 HA 0.06 0.06 0.58 -0.75 4.49 4.43 2ok5A1 SER 511 HB2 -0.04 0.14 0.09 -0.04 3.95 4.10 2ok5A1 SER 511 HB3 0.03 0.03 0.23 -0.04 3.93 4.17 2ok5A1 ILE 512 H 0.01 0.29 -0.34 -0.55 8.25 7.67 2ok5A1 ILE 512 HA 0.10 0.27 0.90 -0.75 4.18 4.70 2ok5A1 ILE 512 HB 0.03 0.03 0.09 -0.04 1.89 2.00 2ok5A1 ILE 512 HG12 0.25 0.01 -0.13 -0.04 1.49 1.57 2ok5A1 ILE 512 HG13 0.07 0.01 -0.17 -0.04 1.21 1.07 2ok5A1 ILE 512 HG23 0.16 -0.01 -0.21 -0.04 0.93 0.82 2ok5A1 ILE 512 HD13 -0.02 -0.02 -0.18 -0.04 0.88 0.62 2ok5A1 LYS 513 H 0.07 0.69 0.38 -0.55 8.42 9.01 2ok5A1 LYS 513 HA 0.03 0.29 0.88 -0.75 4.32 4.77 2ok5A1 LYS 513 HB2 0.02 -0.05 0.01 -0.04 1.87 1.80 2ok5A1 LYS 513 HB3 0.01 -0.06 -0.03 -0.04 1.79 1.68 2ok5A1 LYS 513 HG2 0.03 0.01 -0.47 -0.04 1.46 1.00 2ok5A1 LYS 513 HG3 0.02 -0.07 -0.13 -0.04 1.46 1.23 2ok5A1 LYS 513 HD2 0.02 -0.04 -0.25 -0.04 1.69 1.38 2ok5A1 LYS 513 HD3 0.03 0.26 0.02 -0.04 1.68 1.95 2ok5A1 LYS 513 HE2 0.05 0.23 -0.11 -0.04 2.99 3.13 2ok5A1 LYS 513 HE3 0.03 -0.10 -0.07 -0.04 2.99 2.81 2ok5A1 VAL 514 H 0.02 0.37 0.25 -0.55 8.24 8.33 2ok5A1 VAL 514 HA 0.04 0.38 1.04 -0.75 4.13 4.84 2ok5A1 VAL 514 HB 0.02 -0.04 0.01 -0.04 2.12 2.06 2ok5A1 VAL 514 HG13 0.04 -0.01 -0.23 -0.04 0.97 0.73 2ok5A1 VAL 514 HG23 0.05 -0.00 -0.30 -0.04 0.95 0.66 2ok5A1 SER 515 H 0.02 0.64 0.38 -0.55 8.46 8.95 2ok5A1 SER 515 HA -0.03 0.15 0.86 -0.75 4.49 4.71 2ok5A1 SER 515 HB2 -0.06 0.32 0.19 -0.04 3.95 4.35 2ok5A1 SER 515 HB3 -0.02 -0.06 -0.04 -0.04 3.93 3.77 2ok5A1 VAL 516 H -0.08 0.30 0.22 -0.55 8.24 8.13 2ok5A1 VAL 516 HA -0.07 0.30 0.96 -0.75 4.13 4.56 2ok5A1 VAL 516 HB -0.01 0.10 0.07 -0.04 2.12 2.24 2ok5A1 VAL 516 HG13 0.03 0.01 -0.22 -0.04 0.97 0.74 2ok5A1 VAL 516 HG23 -0.03 -0.01 -0.10 -0.04 0.95 0.77 2ok5A1 GLY 517 H -0.18 0.39 0.22 -0.55 8.43 8.31 2ok5A1 GLY 517 HA2 -0.22 0.37 0.39 -0.51 4.01 4.03 2ok5A1 GLY 517 HA3 -0.20 -0.01 0.23 -0.51 4.01 3.52 2ok5A1 GLY 518 H -1.07 0.08 -0.46 -0.55 8.43 6.43 2ok5A1 GLY 518 HA2 -0.59 0.02 0.17 -0.51 4.01 3.10 2ok5A1 GLY 518 HA3 -0.52 -0.00 0.46 -0.51 4.01 3.44 2ok5A1 GLU 519 H -0.25 0.28 -0.11 -0.55 8.60 7.98 2ok5A1 GLU 519 HA -0.10 0.10 0.76 -0.75 4.29 4.29 2ok5A1 GLU 519 HB2 -0.10 0.11 0.10 -0.04 2.09 2.16 2ok5A1 GLU 519 HB3 -0.07 -0.14 0.06 -0.04 1.99 1.79 2ok5A1 GLU 519 HG2 -0.09 -0.01 -0.11 -0.04 2.34 2.08 2ok5A1 GLU 519 HG3 -0.16 0.05 -0.26 -0.04 2.34 1.94 2ok5A1 LYS 520 H -0.05 0.10 0.14 -0.55 8.42 8.05 2ok5A1 LYS 520 HA -0.04 0.09 0.37 -0.75 4.32 3.98 2ok5A1 LYS 520 HB2 -0.03 0.02 0.11 -0.04 1.87 1.93 2ok5A1 LYS 520 HB3 -0.03 -0.06 0.08 -0.04 1.79 1.74 2ok5A1 LYS 520 HG2 -0.02 -0.01 -0.13 -0.04 1.46 1.26 2ok5A1 LYS 520 HG3 -0.02 0.02 0.02 -0.04 1.46 1.44 2ok5A1 LYS 520 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 2ok5A1 LYS 520 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.59 2ok5A1 LYS 520 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 2ok5A1 LYS 520 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 2ok5A1 ARG 521 H -0.04 -0.03 -0.09 -0.55 8.46 7.75 2ok5A1 ARG 521 HA -0.02 -0.01 0.42 -0.75 4.34 3.97 2ok5A1 ARG 521 HB2 -0.03 -0.05 0.08 -0.04 1.90 1.85 2ok5A1 ARG 521 HB3 -0.04 -0.00 -0.00 -0.04 1.80 1.71 2ok5A1 ARG 521 HG2 -0.03 0.03 -0.30 -0.04 1.67 1.33 2ok5A1 ARG 521 HG3 -0.02 0.01 -0.02 -0.04 1.67 1.60 2ok5A1 ARG 521 HD2 -0.03 -0.03 -0.01 -0.04 3.22 3.11 2ok5A1 ARG 521 HD3 -0.04 -0.00 -0.05 -0.04 3.22 3.09 2ok5A1 ASP 522 H -0.02 0.09 0.21 -0.55 8.40 8.13 2ok5A1 ASP 522 HA -0.02 0.31 0.99 -0.75 4.63 5.16 2ok5A1 ASP 522 HB2 -0.00 -0.05 -0.05 -0.04 2.71 2.57 2ok5A1 ASP 522 HB3 -0.02 0.07 -0.03 -0.04 2.70 2.68 2ok5A1 LEU 523 H -0.01 0.88 0.37 -0.55 8.37 9.07 2ok5A1 LEU 523 HA -0.02 0.02 0.47 -0.75 4.35 4.07 2ok5A1 LEU 523 HB2 -0.01 -0.01 0.08 -0.04 1.64 1.66 2ok5A1 LEU 523 HB3 -0.02 0.01 0.03 -0.04 1.64 1.61 2ok5A1 LEU 523 HG -0.03 0.09 0.00 -0.04 1.64 1.66 2ok5A1 LEU 523 HD13 -0.03 -0.00 -0.09 -0.04 0.93 0.76 2ok5A1 LEU 523 HD23 -0.04 -0.01 -0.14 -0.04 0.89 0.66 2ok5A1 GLU 524 H -0.01 0.07 0.22 -0.55 8.60 8.33 2ok5A1 GLU 524 HA 0.01 0.21 0.71 -0.75 4.29 4.47 2ok5A1 GLU 524 HB2 0.00 -0.01 0.17 -0.04 2.09 2.21 2ok5A1 GLU 524 HB3 -0.00 -0.09 0.09 -0.04 1.99 1.95 2ok5A1 GLU 524 HG2 0.01 0.20 0.07 -0.04 2.34 2.58 2ok5A1 GLU 524 HG3 0.03 0.05 0.11 -0.04 2.34 2.48 2ok5A1 ILE 525 H 0.00 0.28 0.22 -0.55 8.25 8.20 2ok5A1 ILE 525 HA -0.03 0.05 0.91 -0.75 4.18 4.36 2ok5A1 ILE 525 HB -0.05 0.03 -0.02 -0.04 1.89 1.80 2ok5A1 ILE 525 HG12 -0.01 0.27 0.04 -0.04 1.49 1.75 2ok5A1 ILE 525 HG13 -0.03 -0.04 -0.46 -0.04 1.21 0.64 2ok5A1 ILE 525 HG23 0.00 0.04 -0.20 -0.04 0.93 0.73 2ok5A1 ILE 525 HD13 -0.09 -0.03 -0.24 -0.04 0.88 0.48 2ok5A1 GLU 526 H -0.06 0.97 0.32 -0.55 8.60 9.29 2ok5A1 GLU 526 HA -0.02 0.11 0.86 -0.75 4.29 4.48 2ok5A1 GLU 526 HB2 -0.04 0.05 -0.23 -0.04 2.09 1.83 2ok5A1 GLU 526 HB3 -0.08 0.03 -0.00 -0.04 1.99 1.90 2ok5A1 GLU 526 HG2 -0.03 -0.04 -0.15 -0.04 2.34 2.07 2ok5A1 GLU 526 HG3 -0.03 -0.04 0.02 -0.04 2.34 2.26 2ok5A1 VAL 527 H -0.07 0.40 0.29 -0.55 8.24 8.31 2ok5A1 VAL 527 HA -0.04 0.08 0.60 -0.75 4.13 4.02 2ok5A1 VAL 527 HB -0.01 0.11 -0.26 -0.04 2.12 1.91 2ok5A1 VAL 527 HG13 -0.01 -0.02 -0.15 -0.04 0.97 0.75 2ok5A1 VAL 527 HG23 0.02 0.03 0.00 -0.04 0.95 0.96 2ok5A1 VAL 528 H -0.08 0.23 0.15 -0.55 8.24 7.99 2ok5A1 VAL 528 HA -0.22 0.26 0.94 -0.75 4.13 4.36 2ok5A1 VAL 528 HB -0.40 -0.01 0.04 -0.04 2.12 1.71 2ok5A1 VAL 528 HG13 -1.04 -0.00 -0.31 -0.04 0.97 -0.43 2ok5A1 VAL 528 HG23 -0.61 -0.00 -0.15 -0.04 0.95 0.14 2ok5A1 LEU 529 H -0.05 0.76 0.24 -0.55 8.37 8.78 2ok5A1 LEU 529 HA 0.15 0.13 0.88 -0.75 4.35 4.75 2ok5A1 LEU 529 HB2 0.20 -0.08 0.15 -0.04 1.64 1.86 2ok5A1 LEU 529 HB3 0.25 0.05 0.02 -0.04 1.64 1.91 2ok5A1 LEU 529 HG 0.08 -0.06 -0.24 -0.04 1.64 1.38 2ok5A1 LEU 529 HD13 0.15 -0.00 -0.07 -0.04 0.93 0.97 2ok5A1 LEU 529 HD23 0.08 0.02 -0.07 -0.04 0.89 0.88 2ok5A1 PHE 530 H 0.43 0.18 0.11 -0.55 8.34 8.51 2ok5A1 PHE 530 HA 0.02 0.12 0.81 -0.75 4.62 4.81 2ok5A1 PHE 530 HB2 0.06 -0.01 0.01 -0.04 3.15 3.17 2ok5A1 PHE 530 HB3 0.03 0.09 0.05 -0.04 3.06 3.19 2ok5A1 PHE 530 HD2 -0.01 -0.02 -0.01 -0.04 7.28 7.20 2ok5A1 PHE 530 HE2 0.10 0.15 -0.09 -0.04 7.38 7.51 2ok5A1 PHE 530 HZ 0.10 0.03 -0.30 -0.04 7.32 7.12 2ok5A1 HIS 531 H -0.33 0.58 0.35 -0.55 8.41 8.46 2ok5A1 HIS 531 HA -1.50 0.07 0.63 -0.75 4.63 3.07 2ok5A1 HIS 531 HB2 -1.02 0.05 0.23 -0.04 3.26 2.48 2ok5A1 HIS 531 HB3 -0.29 0.11 0.29 -0.04 3.20 3.27 2ok5A1 HIS 531 HD2 -0.66 0.02 0.05 -0.04 6.97 6.34 2ok5A1 HIS 531 HE1 -0.44 0.03 0.01 -0.04 7.75 7.30 2ok5A1 PRO 532 HA -0.02 0.14 0.36 -0.51 4.44 4.41 2ok5A1 PRO 532 HB2 -0.08 0.02 0.03 -0.04 2.28 2.21 2ok5A1 PRO 532 HB3 -0.03 0.04 0.14 -0.04 2.02 2.13 2ok5A1 PRO 532 HG2 -0.36 -0.01 0.07 -0.04 2.03 1.69 2ok5A1 PRO 532 HG3 -0.09 0.04 0.09 -0.04 2.03 2.03 2ok5A1 PRO 532 HD2 -1.67 0.00 0.26 -0.04 3.68 2.23 2ok5A1 PRO 532 HD3 -0.26 0.24 0.26 -0.04 3.65 3.85 2ok5A1 ASN 533 H 0.28 0.01 -0.42 -0.55 8.53 7.84 2ok5A1 ASN 533 HA -0.08 0.20 0.74 -0.75 4.76 4.87 2ok5A1 ASN 533 HB2 -1.05 -0.04 -0.04 -0.04 2.88 1.71 2ok5A1 ASN 533 HB3 -0.46 -0.00 0.04 -0.04 2.79 2.33 2ok5A1 ASN 533 HD21 -0.17 -0.01 -0.03 -0.04 7.03 6.78 2ok5A1 ASN 533 HD22 -0.35 -0.01 -0.02 -0.04 7.74 7.32 2ok5A1 TYR 534 H 0.16 0.45 -0.17 -0.55 8.29 8.17 2ok5A1 TYR 534 HA 0.02 0.16 0.47 -0.75 4.56 4.45 2ok5A1 TYR 534 HB2 0.04 0.23 0.16 -0.04 3.06 3.46 2ok5A1 TYR 534 HB3 0.06 0.12 0.18 -0.04 2.98 3.30 2ok5A1 TYR 534 HD2 0.03 0.13 -0.23 -0.04 7.15 7.04 2ok5A1 TYR 534 HE2 0.09 0.03 -0.10 -0.04 6.85 6.83 2ok5A1 ASN 535 H -0.41 0.29 0.03 -0.55 8.53 7.90 2ok5A1 ASN 535 HA -0.40 0.04 0.48 -0.75 4.76 4.12 2ok5A1 ASN 535 HB2 -0.09 0.17 -0.20 -0.04 2.88 2.72 2ok5A1 ASN 535 HB3 -0.04 0.02 0.09 -0.04 2.79 2.82 2ok5A1 ASN 535 HD21 -0.06 -0.03 -0.09 -0.04 7.03 6.81 2ok5A1 ASN 535 HD22 -0.04 0.04 -0.03 -0.04 7.74 7.67 2ok5A1 ILE 536 H -0.68 0.18 0.07 -0.55 8.25 7.27 2ok5A1 ILE 536 HA -0.34 0.30 0.56 -0.75 4.18 3.94 2ok5A1 ILE 536 HB -0.11 0.03 0.11 -0.04 1.89 1.88 2ok5A1 ILE 536 HG12 -0.07 0.05 0.02 -0.04 1.49 1.44 2ok5A1 ILE 536 HG13 -0.21 0.01 0.09 -0.04 1.21 1.06 2ok5A1 ILE 536 HG23 -0.07 0.01 0.00 -0.04 0.93 0.83 2ok5A1 ILE 536 HD13 -0.44 0.02 -0.05 -0.04 0.88 0.37 2ok5A1 ASN 537 H -0.15 0.04 -0.26 -0.55 8.53 7.62 2ok5A1 ASN 537 HA -0.08 0.26 0.51 -0.75 4.76 4.71 2ok5A1 ASN 537 HB2 -0.07 0.00 0.05 -0.04 2.88 2.82 2ok5A1 ASN 537 HB3 -0.06 -0.02 0.17 -0.04 2.79 2.83 2ok5A1 ASN 537 HD21 -0.04 0.01 0.01 -0.04 7.03 6.97 2ok5A1 ASN 537 HD22 -0.06 0.00 0.03 -0.04 7.74 7.67 2ok5A1 GLY 538 H -0.02 0.39 -0.51 -0.55 8.43 7.73 2ok5A1 GLY 538 HA2 0.00 0.12 0.22 -0.51 4.01 3.84 2ok5A1 GLY 538 HA3 -0.11 -0.03 -0.08 -0.51 4.01 3.29 2ok5A1 LYS 539 H -0.13 0.05 0.13 -0.55 8.42 7.91 2ok5A1 LYS 539 HA -0.19 -0.01 0.26 -0.75 4.32 3.63 2ok5A1 LYS 539 HB2 -0.52 -0.02 0.03 -0.04 1.87 1.32 2ok5A1 LYS 539 HB3 -0.36 0.11 0.03 -0.04 1.79 1.53 2ok5A1 LYS 539 HG2 -0.34 -0.03 0.04 -0.04 1.46 1.09 2ok5A1 LYS 539 HG3 -0.47 0.01 -0.06 -0.04 1.46 0.90 2ok5A1 LYS 539 HD2 -1.92 0.01 0.02 -0.04 1.69 -0.24 2ok5A1 LYS 539 HD3 -0.58 0.03 0.01 -0.04 1.68 1.10 2ok5A1 LYS 539 HE2 -0.34 -0.07 0.01 -0.04 2.99 2.56 2ok5A1 LYS 539 HE3 -0.59 -0.04 -0.01 -0.04 2.99 2.31 2ok5A1 LYS 540 H -0.09 0.37 -0.08 -0.55 8.42 8.07 2ok5A1 LYS 540 HA -0.07 0.35 0.44 -0.75 4.32 4.29 2ok5A1 LYS 540 HB2 -0.06 0.17 0.08 -0.04 1.87 2.02 2ok5A1 LYS 540 HB3 -0.05 -0.05 -0.00 -0.04 1.79 1.65 2ok5A1 LYS 540 HG2 -0.04 -0.07 -0.05 -0.04 1.46 1.25 2ok5A1 LYS 540 HG3 -0.05 0.12 0.00 -0.04 1.46 1.49 2ok5A1 LYS 540 HD2 -0.05 -0.01 0.04 -0.04 1.69 1.64 2ok5A1 LYS 540 HD3 -0.04 -0.05 -0.01 -0.04 1.68 1.54 2ok5A1 LYS 540 HE2 -0.05 0.21 0.10 -0.04 2.99 3.21 2ok5A1 LYS 540 HE3 -0.04 -0.08 0.03 -0.04 2.99 2.86 2ok5A1 GLU 541 H -0.07 0.12 -0.04 -0.55 8.60 8.06 2ok5A1 GLU 541 HA -0.05 0.14 0.43 -0.75 4.29 4.05 2ok5A1 GLU 541 HB2 -0.06 -0.01 0.01 -0.04 2.09 1.99 2ok5A1 GLU 541 HB3 -0.04 0.04 0.09 -0.04 1.99 2.03 2ok5A1 GLU 541 HG2 -0.05 -0.03 0.05 -0.04 2.34 2.27 2ok5A1 GLU 541 HG3 -0.04 0.03 0.02 -0.04 2.34 2.31 2ok5A1 ALA 542 H -0.09 0.03 -0.72 -0.55 8.40 7.07 2ok5A1 ALA 542 HA -0.07 0.15 0.65 -0.75 4.34 4.32 2ok5A1 ALA 542 HB3 -0.12 0.02 0.05 -0.04 1.41 1.32 2ok5A1 GLY 543 H -0.06 0.35 -0.54 -0.55 8.43 7.63 2ok5A1 GLY 543 HA2 -0.04 0.01 0.23 -0.51 4.01 3.70 2ok5A1 GLY 543 HA3 -0.05 0.06 0.45 -0.51 4.01 3.96 2ok5A1 ILE 544 H -0.07 0.29 -0.00 -0.55 8.25 7.92 2ok5A1 ILE 544 HA 0.01 0.24 0.86 -0.75 4.18 4.54 2ok5A1 ILE 544 HB -0.16 0.10 -0.01 -0.04 1.89 1.78 2ok5A1 ILE 544 HG12 -0.15 0.02 -0.11 -0.04 1.49 1.20 2ok5A1 ILE 544 HG13 -0.11 0.02 -0.52 -0.04 1.21 0.57 2ok5A1 ILE 544 HG23 -0.06 -0.03 -0.25 -0.04 0.93 0.54 2ok5A1 ILE 544 HD13 -0.23 -0.02 -0.13 -0.04 0.88 0.45 2ok5A1 PRO 545 HA -0.04 0.02 0.20 -0.51 4.44 4.11 2ok5A1 PRO 545 HB2 -0.05 0.04 -0.04 -0.04 2.28 2.19 2ok5A1 PRO 545 HB3 -0.03 -0.02 0.06 -0.04 2.02 1.99 2ok5A1 PRO 545 HG2 -0.03 0.01 0.12 -0.04 2.03 2.09 2ok5A1 PRO 545 HG3 -0.01 0.03 0.07 -0.04 2.03 2.07 2ok5A1 PRO 545 HD2 0.10 0.07 0.15 -0.04 3.68 3.96 2ok5A1 PRO 545 HD3 0.05 0.34 0.27 -0.04 3.65 4.28 2ok5A1 GLU 546 H 0.02 0.20 -0.07 -0.55 8.60 8.21 2ok5A1 GLU 546 HA -0.19 0.26 0.86 -0.75 4.29 4.47 2ok5A1 GLU 546 HB2 -0.17 -0.00 0.06 -0.04 2.09 1.94 2ok5A1 GLU 546 HB3 -0.72 -0.03 -0.08 -0.04 1.99 1.11 2ok5A1 GLU 546 HG2 -0.18 -0.02 -0.03 -0.04 2.34 2.07 2ok5A1 GLU 546 HG3 -0.17 0.10 -0.01 -0.04 2.34 2.22 2ok5A1 PHE 547 H -0.20 0.47 0.24 -0.55 8.34 8.30 2ok5A1 PHE 547 HA -0.19 0.12 0.89 -0.75 4.62 4.69 2ok5A1 PHE 547 HB2 -0.15 0.02 -0.11 -0.04 3.15 2.87 2ok5A1 PHE 547 HB3 -0.17 0.12 0.20 -0.04 3.06 3.17 2ok5A1 PHE 547 HD2 -0.12 0.08 0.11 -0.04 7.28 7.31 2ok5A1 PHE 547 HE2 -0.01 0.08 -0.02 -0.04 7.38 7.39 2ok5A1 PHE 547 HZ 0.03 -0.03 -0.03 -0.04 7.32 7.25 2ok5A1 TYR 548 H -0.13 0.24 0.08 -0.55 8.29 7.93 2ok5A1 TYR 548 HA 0.08 0.15 0.43 -0.75 4.56 4.46 2ok5A1 TYR 548 HB2 -0.16 0.06 0.01 -0.04 3.06 2.93 2ok5A1 TYR 548 HB3 0.41 -0.06 0.07 -0.04 2.98 3.36 2ok5A1 TYR 548 HD2 -0.45 0.01 -0.06 -0.04 7.15 6.60 2ok5A1 TYR 548 HE2 -0.39 0.05 -0.05 -0.04 6.85 6.42 2ok5A1 ASP 549 H -0.89 0.10 -0.29 -0.55 8.40 6.78 2ok5A1 ASP 549 HA -0.21 -0.06 0.39 -0.75 4.63 4.00 2ok5A1 ASP 549 HB2 -1.28 0.04 0.04 -0.04 2.71 1.47 2ok5A1 ASP 549 HB3 -0.43 0.09 -0.06 -0.04 2.70 2.26 2ok5A1 TYR 550 H -0.51 0.07 0.14 -0.55 8.29 7.44 2ok5A1 TYR 550 HA -0.32 0.02 0.29 -0.75 4.56 3.79 2ok5A1 TYR 550 HB2 -0.13 0.20 -0.39 -0.04 3.06 2.70 2ok5A1 TYR 550 HB3 -0.53 -0.08 0.14 -0.04 2.98 2.47 2ok5A1 TYR 550 HD2 -0.70 0.03 -0.14 -0.04 7.15 6.30 2ok5A1 TYR 550 HE2 -0.09 0.06 0.00 -0.04 6.85 6.78 2ok5A1 ASP 551 H -0.02 0.15 -0.11 -0.55 8.40 7.88 2ok5A1 ASP 551 HA -0.06 0.09 0.34 -0.75 4.63 4.24 2ok5A1 ASP 551 HB2 0.43 0.29 0.07 -0.04 2.71 3.46 2ok5A1 ASP 551 HB3 0.28 -0.03 0.19 -0.04 2.70 3.10 2ok5A1 VAL 552 H -0.14 0.64 0.19 -0.55 8.24 8.39 2ok5A1 VAL 552 HA 0.02 0.30 1.06 -0.75 4.13 4.75 2ok5A1 VAL 552 HB 0.18 0.07 0.01 -0.04 2.12 2.34 2ok5A1 VAL 552 HG13 0.06 -0.00 -0.20 -0.04 0.97 0.79 2ok5A1 VAL 552 HG23 -0.26 -0.04 -0.09 -0.04 0.95 0.52 2ok5A1 ALA 553 H 0.13 0.67 0.19 -0.55 8.40 8.84 2ok5A1 ALA 553 HA 0.19 0.20 0.76 -0.75 4.34 4.73 2ok5A1 ALA 553 HB3 -0.17 0.01 -0.26 -0.04 1.41 0.94 2ok5A1 LEU 554 H 0.29 0.64 0.28 -0.55 8.37 9.02 2ok5A1 LEU 554 HA 0.17 0.29 1.06 -0.75 4.35 5.11 2ok5A1 LEU 554 HB2 0.05 -0.04 0.08 -0.04 1.64 1.70 2ok5A1 LEU 554 HB3 0.27 0.03 -0.12 -0.04 1.64 1.78 2ok5A1 LEU 554 HG 0.07 -0.05 -0.27 -0.04 1.64 1.35 2ok5A1 LEU 554 HD13 -0.86 -0.00 -0.12 -0.04 0.93 -0.09 2ok5A1 LEU 554 HD23 -0.02 0.01 -0.15 -0.04 0.89 0.70 2ok5A1 ILE 555 H 0.12 0.81 0.30 -0.55 8.25 8.93 2ok5A1 ILE 555 HA -0.08 0.19 1.02 -0.75 4.18 4.55 2ok5A1 ILE 555 HB 0.05 -0.05 0.12 -0.04 1.89 1.97 2ok5A1 ILE 555 HG12 -0.22 0.02 -0.12 -0.04 1.49 1.12 2ok5A1 ILE 555 HG13 -0.04 -0.06 -0.22 -0.04 1.21 0.85 2ok5A1 ILE 555 HG23 -0.04 0.00 -0.27 -0.04 0.93 0.58 2ok5A1 ILE 555 HD13 0.23 0.01 -0.21 -0.04 0.88 0.87 2ok5A1 LYS 556 H -0.08 0.49 0.24 -0.55 8.42 8.52 2ok5A1 LYS 556 HA -0.59 0.35 1.07 -0.75 4.32 4.40 2ok5A1 LYS 556 HB2 -0.31 -0.04 0.02 -0.04 1.87 1.49 2ok5A1 LYS 556 HB3 -0.18 -0.12 0.16 -0.04 1.79 1.61 2ok5A1 LYS 556 HG2 -0.29 0.19 -0.12 -0.04 1.46 1.21 2ok5A1 LYS 556 HG3 -0.98 0.04 0.04 -0.04 1.46 0.51 2ok5A1 LYS 556 HD2 -0.16 -0.03 -0.05 -0.04 1.69 1.41 2ok5A1 LYS 556 HD3 -0.16 -0.05 -0.05 -0.04 1.68 1.38 2ok5A1 LYS 556 HE2 -0.38 0.09 -0.04 -0.04 2.99 2.61 2ok5A1 LYS 556 HE3 -0.47 -0.04 -0.05 -0.04 2.99 2.39 2ok5A1 LEU 557 H -0.17 0.65 0.25 -0.55 8.37 8.55 2ok5A1 LEU 557 HA -0.05 0.03 0.56 -0.75 4.35 4.14 2ok5A1 LEU 557 HB2 -0.07 0.10 0.07 -0.04 1.64 1.69 2ok5A1 LEU 557 HB3 -0.05 -0.04 0.09 -0.04 1.64 1.59 2ok5A1 LEU 557 HG -0.05 0.02 -0.16 -0.04 1.64 1.41 2ok5A1 LEU 557 HD13 -0.05 -0.00 -0.17 -0.04 0.93 0.67 2ok5A1 LEU 557 HD23 -0.02 -0.02 -0.17 -0.04 0.89 0.64 2ok5A1 LYS 558 H -0.02 0.59 0.18 -0.55 8.42 8.62 2ok5A1 LYS 558 HA 0.01 0.05 0.38 -0.75 4.32 4.01 2ok5A1 LYS 558 HB2 -0.00 0.05 -0.26 -0.04 1.87 1.61 2ok5A1 LYS 558 HB3 -0.00 -0.05 -0.01 -0.04 1.79 1.69 2ok5A1 LYS 558 HG2 0.00 -0.04 -0.05 -0.04 1.46 1.32 2ok5A1 LYS 558 HG3 0.01 -0.02 -0.03 -0.04 1.46 1.37 2ok5A1 LYS 558 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.58 2ok5A1 LYS 558 HD3 -0.00 0.22 -0.24 -0.04 1.68 1.62 2ok5A1 LYS 558 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.90 2ok5A1 LYS 558 HE3 0.00 -0.05 0.01 -0.04 2.99 2.91 2ok5A1 ASN 559 H -0.03 0.10 -0.03 -0.55 8.53 8.03 2ok5A1 ASN 559 HA 0.00 0.16 0.78 -0.75 4.76 4.94 2ok5A1 ASN 559 HB2 -0.06 -0.01 -0.02 -0.04 2.88 2.75 2ok5A1 ASN 559 HB3 -0.07 0.06 0.02 -0.04 2.79 2.76 2ok5A1 ASN 559 HD21 -0.01 -0.00 -0.04 -0.04 7.03 6.93 2ok5A1 ASN 559 HD22 -0.03 -0.00 -0.01 -0.04 7.74 7.66 2ok5A1 LYS 560 H -0.19 0.07 0.11 -0.55 8.42 7.86 2ok5A1 LYS 560 HA -0.92 0.19 0.50 -0.75 4.32 3.33 2ok5A1 LYS 560 HB2 -0.33 -0.04 0.09 -0.04 1.87 1.55 2ok5A1 LYS 560 HB3 -0.23 -0.03 0.02 -0.04 1.79 1.51 2ok5A1 LYS 560 HG2 -0.35 0.19 -0.01 -0.04 1.46 1.24 2ok5A1 LYS 560 HG3 -0.69 -0.06 -0.03 -0.04 1.46 0.64 2ok5A1 LYS 560 HD2 -0.09 -0.03 -0.01 -0.04 1.69 1.52 2ok5A1 LYS 560 HD3 -0.11 0.01 -0.00 -0.04 1.68 1.53 2ok5A1 LYS 560 HE2 0.21 -0.02 -0.02 -0.04 2.99 3.12 2ok5A1 LYS 560 HE3 0.24 -0.00 -0.02 -0.04 2.99 3.17 2ok5A1 LEU 561 H -0.36 0.60 0.33 -0.55 8.37 8.39 2ok5A1 LEU 561 HA -0.14 0.03 0.60 -0.75 4.35 4.09 2ok5A1 LEU 561 HB2 -0.20 -0.07 0.14 -0.04 1.64 1.47 2ok5A1 LEU 561 HB3 -0.07 0.03 -0.20 -0.04 1.64 1.35 2ok5A1 LEU 561 HG -0.10 0.10 -0.01 -0.04 1.64 1.59 2ok5A1 LEU 561 HD13 0.09 0.00 -0.13 -0.04 0.93 0.86 2ok5A1 LEU 561 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 2ok5A1 LYS 562 H -0.10 0.15 0.11 -0.55 8.42 8.03 2ok5A1 LYS 562 HA -0.17 0.08 0.82 -0.75 4.32 4.30 2ok5A1 LYS 562 HB2 -0.08 -0.01 0.07 -0.04 1.87 1.81 2ok5A1 LYS 562 HB3 -0.05 -0.05 0.16 -0.04 1.79 1.81 2ok5A1 LYS 562 HG2 -0.01 0.21 -0.22 -0.04 1.46 1.40 2ok5A1 LYS 562 HG3 -0.04 -0.02 0.03 -0.04 1.46 1.39 2ok5A1 LYS 562 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.59 2ok5A1 LYS 562 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.57 2ok5A1 LYS 562 HE2 -0.00 0.01 0.01 -0.04 2.99 2.97 2ok5A1 LYS 562 HE3 -0.01 0.01 0.02 -0.04 2.99 2.97 2ok5A1 TYR 563 H -0.16 0.08 0.04 -0.55 8.29 7.69 2ok5A1 TYR 563 HA -0.00 0.20 0.47 -0.75 4.56 4.47 2ok5A1 TYR 563 HB2 0.01 -0.15 0.02 -0.04 3.06 2.90 2ok5A1 TYR 563 HB3 0.02 0.17 0.08 -0.04 2.98 3.21 2ok5A1 TYR 563 HD2 0.01 -0.02 -0.22 -0.04 7.15 6.88 2ok5A1 TYR 563 HE2 0.03 -0.01 -0.18 -0.04 6.85 6.65 2ok5A1 GLY 564 H 0.13 0.79 0.37 -0.55 8.43 9.16 2ok5A1 GLY 564 HA2 0.06 0.10 0.52 -0.51 4.01 4.18 2ok5A1 GLY 564 HA3 0.04 -0.02 0.31 -0.51 4.01 3.83 2ok5A1 GLN 565 H 0.03 0.14 0.16 -0.55 8.47 8.24 2ok5A1 GLN 565 HA 0.11 0.19 0.34 -0.75 4.36 4.26 2ok5A1 GLN 565 HB2 0.06 -0.05 0.09 -0.04 2.15 2.21 2ok5A1 GLN 565 HB3 0.15 0.03 0.13 -0.04 2.02 2.29 2ok5A1 GLN 565 HG2 0.04 -0.05 0.09 -0.04 2.40 2.43 2ok5A1 GLN 565 HG3 -0.04 -0.00 0.04 -0.04 2.39 2.35 2ok5A1 GLN 565 HE21 0.09 0.11 -0.03 -0.04 6.97 7.10 2ok5A1 GLN 565 HE22 0.05 -0.03 -0.01 -0.04 7.69 7.66 2ok5A1 THR 566 H -0.06 -0.03 -0.25 -0.55 8.28 7.39 2ok5A1 THR 566 HA -0.16 0.45 0.90 -0.75 4.39 4.82 2ok5A1 THR 566 HB -0.14 -0.04 0.10 -0.04 4.32 4.20 2ok5A1 THR 566 HG23 -0.60 -0.04 -0.23 -0.04 1.22 0.31 2ok5A1 ILE 567 H 0.00 0.16 -0.29 -0.55 8.25 7.57 2ok5A1 ILE 567 HA 0.02 0.42 0.89 -0.75 4.18 4.75 2ok5A1 ILE 567 HB 0.08 -0.04 0.12 -0.04 1.89 2.00 2ok5A1 ILE 567 HG12 -0.02 -0.03 -0.14 -0.04 1.49 1.25 2ok5A1 ILE 567 HG13 -0.05 -0.10 -0.55 -0.04 1.21 0.47 2ok5A1 ILE 567 HG23 0.16 -0.01 -0.20 -0.04 0.93 0.84 2ok5A1 ILE 567 HD13 -0.03 0.01 -0.14 -0.04 0.88 0.68 2ok5A1 ARG 568 H 0.02 0.50 -0.10 -0.55 8.46 8.32 2ok5A1 ARG 568 HA -0.43 0.11 0.73 -0.75 4.34 3.99 2ok5A1 ARG 568 HB2 0.05 -0.12 -0.13 -0.04 1.90 1.65 2ok5A1 ARG 568 HB3 -0.08 0.22 0.03 -0.04 1.80 1.93 2ok5A1 ARG 568 HG2 -0.03 -0.00 0.02 -0.04 1.67 1.61 2ok5A1 ARG 568 HG3 0.02 -0.12 -0.43 -0.04 1.67 1.10 2ok5A1 ARG 568 HD2 0.09 -0.11 -0.01 -0.04 3.22 3.14 2ok5A1 ARG 568 HD3 0.09 0.03 0.02 -0.04 3.22 3.33 2ok5A1 PRO 569 HA 0.04 0.16 0.33 -0.51 4.44 4.46 2ok5A1 PRO 569 HB2 -0.02 0.15 -0.11 -0.04 2.28 2.26 2ok5A1 PRO 569 HB3 0.01 -0.13 -0.27 -0.04 2.02 1.58 2ok5A1 PRO 569 HG2 -0.14 0.12 -0.10 -0.04 2.03 1.87 2ok5A1 PRO 569 HG3 -0.29 -0.07 -0.02 -0.04 2.03 1.61 2ok5A1 PRO 569 HD2 -0.34 0.36 0.08 -0.04 3.68 3.74 2ok5A1 PRO 569 HD3 -1.43 0.03 0.11 -0.04 3.65 2.31 2ok5A1 ILE 570 H 0.07 0.56 0.35 -0.55 8.25 8.67 2ok5A1 ILE 570 HA -0.09 0.06 0.91 -0.75 4.18 4.31 2ok5A1 ILE 570 HB -0.36 -0.03 0.12 -0.04 1.89 1.58 2ok5A1 ILE 570 HG12 -0.31 0.04 0.01 -0.04 1.49 1.20 2ok5A1 ILE 570 HG13 -0.56 0.06 0.08 -0.04 1.21 0.74 2ok5A1 ILE 570 HG23 -0.10 0.04 -0.11 -0.04 0.93 0.72 2ok5A1 ILE 570 HD13 -1.05 -0.03 -0.18 -0.04 0.88 -0.42 2ok5A1 CYS 571 H -0.11 0.40 0.18 -0.55 8.50 8.42 2ok5A1 CYS 571 HA -0.09 0.08 0.66 -0.75 4.58 4.49 2ok5A1 CYS 571 HB2 -0.09 -0.00 0.06 -0.04 2.97 2.90 2ok5A1 CYS 571 HB3 -0.09 -0.06 -0.12 -0.04 2.97 2.66 2ok5A1 LEU 572 H -0.14 0.12 0.14 -0.55 8.37 7.95 2ok5A1 LEU 572 HA -0.11 0.24 0.83 -0.75 4.35 4.56 2ok5A1 LEU 572 HB2 -0.21 -0.06 0.02 -0.04 1.64 1.35 2ok5A1 LEU 572 HB3 -0.07 0.08 -0.04 -0.04 1.64 1.57 2ok5A1 LEU 572 HG -0.04 0.09 -0.08 -0.04 1.64 1.57 2ok5A1 LEU 572 HD13 0.09 -0.02 -0.06 -0.04 0.93 0.90 2ok5A1 LEU 572 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.79 2ok5A1 PRO 573 HA -0.24 0.01 0.40 -0.51 4.44 4.10 2ok5A1 PRO 573 HB2 -0.81 -0.00 -0.16 -0.04 2.28 1.27 2ok5A1 PRO 573 HB3 -1.61 -0.01 0.02 -0.04 2.02 0.38 2ok5A1 PRO 573 HG2 -0.41 -0.13 -0.01 -0.04 2.03 1.44 2ok5A1 PRO 573 HG3 -0.31 0.13 0.11 -0.04 2.03 1.91 2ok5A1 PRO 573 HD2 -0.14 0.01 0.12 -0.04 3.68 3.64 2ok5A1 PRO 573 HD3 -0.14 0.52 0.30 -0.04 3.65 4.30 2ok5A1 CYS 574 H -0.11 0.11 0.11 -0.55 8.50 8.07 2ok5A1 CYS 574 HA -0.01 0.02 0.31 -0.75 4.58 4.14 2ok5A1 CYS 574 HB2 0.02 0.14 -0.22 -0.04 2.97 2.86 2ok5A1 CYS 574 HB3 0.09 -0.04 0.09 -0.04 2.97 3.07 2ok5A1 THR 575 H -0.17 0.16 -0.02 -0.55 8.28 7.70 2ok5A1 THR 575 HA -0.27 0.21 0.69 -0.75 4.39 4.26 2ok5A1 THR 575 HB -0.35 0.30 0.02 -0.04 4.32 4.25 2ok5A1 THR 575 HG23 -1.12 0.03 -0.33 -0.04 1.22 -0.25 2ok5A1 GLU 576 H -0.11 0.73 0.23 -0.55 8.60 8.90 2ok5A1 GLU 576 HA -0.05 0.06 0.54 -0.75 4.29 4.08 2ok5A1 GLU 576 HB2 -0.04 0.11 0.20 -0.04 2.09 2.32 2ok5A1 GLU 576 HB3 -0.06 0.04 0.12 -0.04 1.99 2.05 2ok5A1 GLU 576 HG2 -0.03 -0.02 -0.11 -0.04 2.34 2.14 2ok5A1 GLU 576 HG3 -0.03 0.01 0.06 -0.04 2.34 2.34 2ok5A1 GLY 577 H -0.12 0.26 -0.13 -0.55 8.43 7.89 2ok5A1 GLY 577 HA2 -0.06 0.09 0.31 -0.51 4.01 3.84 2ok5A1 GLY 577 HA3 -0.09 0.09 0.28 -0.51 4.01 3.79 2ok5A1 THR 578 H -0.11 0.14 -0.35 -0.55 8.28 7.42 2ok5A1 THR 578 HA -0.07 0.12 0.34 -0.75 4.39 4.03 2ok5A1 THR 578 HB -0.08 -0.05 0.05 -0.04 4.32 4.20 2ok5A1 THR 578 HG23 -0.03 -0.01 -0.17 -0.04 1.22 0.97 2ok5A1 THR 579 H -0.06 0.32 -0.20 -0.55 8.28 7.79 2ok5A1 THR 579 HA -0.04 -0.01 0.32 -0.75 4.39 3.90 2ok5A1 THR 579 HB -0.04 0.13 0.13 -0.04 4.32 4.49 2ok5A1 THR 579 HG23 -0.03 0.01 -0.29 -0.04 1.22 0.87 2ok5A1 ARG 580 H -0.05 0.48 -0.21 -0.55 8.46 8.13 2ok5A1 ARG 580 HA -0.06 0.05 0.41 -0.75 4.34 3.98 2ok5A1 ARG 580 HB2 -0.04 0.09 0.11 -0.04 1.90 2.01 2ok5A1 ARG 580 HB3 -0.04 0.02 -0.03 -0.04 1.80 1.71 2ok5A1 ARG 580 HG2 -0.03 -0.00 -0.01 -0.04 1.67 1.59 2ok5A1 ARG 580 HG3 -0.04 -0.02 -0.05 -0.04 1.67 1.52 2ok5A1 ARG 580 HD2 -0.02 -0.02 -0.04 -0.04 3.22 3.10 2ok5A1 ARG 580 HD3 -0.02 -0.05 -0.04 -0.04 3.22 3.07 2ok5A1 ALA 581 H -0.06 0.50 -0.10 -0.55 8.40 8.19 2ok5A1 ALA 581 HA -0.08 0.07 0.40 -0.75 4.34 3.97 2ok5A1 ALA 581 HB3 -0.06 0.01 0.01 -0.04 1.41 1.33 2ok5A1 LEU 582 H -0.08 0.47 -0.37 -0.55 8.37 7.84 2ok5A1 LEU 582 HA -0.12 0.06 0.49 -0.75 4.35 4.04 2ok5A1 LEU 582 HB2 -0.06 0.07 0.04 -0.04 1.64 1.66 2ok5A1 LEU 582 HB3 -0.06 -0.10 0.04 -0.04 1.64 1.47 2ok5A1 LEU 582 HG -0.05 0.09 -0.09 -0.04 1.64 1.55 2ok5A1 LEU 582 HD13 -0.01 -0.04 -0.12 -0.04 0.93 0.71 2ok5A1 LEU 582 HD23 -0.06 -0.00 -0.14 -0.04 0.89 0.65 2ok5A1 ARG 583 H -0.15 0.39 -0.53 -0.55 8.46 7.60 2ok5A1 ARG 583 HA -0.19 0.09 0.28 -0.75 4.34 3.76 2ok5A1 ARG 583 HB2 -0.24 0.02 0.19 -0.04 1.90 1.83 2ok5A1 ARG 583 HB3 -0.40 -0.09 0.12 -0.04 1.80 1.39 2ok5A1 ARG 583 HG2 -0.42 0.03 -0.58 -0.04 1.67 0.65 2ok5A1 ARG 583 HG3 -1.30 -0.14 -0.10 -0.04 1.67 0.10 2ok5A1 ARG 583 HD2 -1.16 -0.12 -0.01 -0.04 3.22 1.88 2ok5A1 ARG 583 HD3 -0.39 0.24 0.01 -0.04 3.22 3.04 2ok5A1 LEU 584 H -0.08 0.51 -0.03 -0.55 8.37 8.22 2ok5A1 LEU 584 HA -0.04 0.15 0.68 -0.75 4.35 4.39 2ok5A1 LEU 584 HB2 -0.04 0.03 0.01 -0.04 1.64 1.60 2ok5A1 LEU 584 HB3 -0.03 -0.05 0.03 -0.04 1.64 1.55 2ok5A1 LEU 584 HG -0.05 0.15 -0.38 -0.04 1.64 1.31 2ok5A1 LEU 584 HD13 -0.03 -0.04 -0.10 -0.04 0.93 0.73 2ok5A1 LEU 584 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 2ok5A1 PRO 585 HA -0.01 0.18 0.48 -0.51 4.44 4.58 2ok5A1 PRO 585 HB2 -0.01 -0.15 -0.02 -0.04 2.28 2.06 2ok5A1 PRO 585 HB3 -0.01 0.06 0.09 -0.04 2.02 2.13 2ok5A1 PRO 585 HG2 -0.01 -0.00 0.05 -0.04 2.03 2.03 2ok5A1 PRO 585 HG3 -0.01 0.11 0.06 -0.04 2.03 2.15 2ok5A1 PRO 585 HD2 -0.02 0.01 0.15 -0.04 3.68 3.78 2ok5A1 PRO 585 HD3 -0.02 0.21 0.21 -0.04 3.65 4.01 2ok5A1 PRO 586 HA -0.01 0.13 0.28 -0.51 4.44 4.33 2ok5A1 PRO 586 HB2 -0.01 0.02 -0.01 -0.04 2.28 2.24 2ok5A1 PRO 586 HB3 -0.01 0.06 0.10 -0.04 2.02 2.13 2ok5A1 PRO 586 HG2 -0.01 -0.02 0.06 -0.04 2.03 2.02 2ok5A1 PRO 586 HG3 -0.01 0.07 0.06 -0.04 2.03 2.12 2ok5A1 PRO 586 HD2 -0.01 0.06 0.20 -0.04 3.68 3.89 2ok5A1 PRO 586 HD3 -0.01 0.22 0.18 -0.04 3.65 3.99 2ok5A1 THR 587 H -0.01 0.06 -0.34 -0.55 8.28 7.45 2ok5A1 THR 587 HA 0.00 0.13 0.50 -0.75 4.39 4.26 2ok5A1 THR 587 HB 0.00 -0.02 0.07 -0.04 4.32 4.33 2ok5A1 THR 587 HG23 -0.00 -0.00 -0.02 -0.04 1.22 1.16 2ok5A1 THR 588 H -0.01 0.45 -0.39 -0.55 8.28 7.79 2ok5A1 THR 588 HA -0.00 -0.11 0.38 -0.75 4.39 3.91 2ok5A1 THR 588 HB -0.01 0.04 -0.03 -0.04 4.32 4.28 2ok5A1 THR 588 HG23 -0.00 -0.02 -0.18 -0.04 1.22 0.98 2ok5A1 THR 589 H 0.01 0.02 0.19 -0.55 8.28 7.96 2ok5A1 THR 589 HA 0.02 0.28 0.77 -0.75 4.39 4.71 2ok5A1 THR 589 HB 0.03 -0.07 0.22 -0.04 4.32 4.46 2ok5A1 THR 589 HG23 0.01 0.06 0.05 -0.04 1.22 1.31 2ok5A1 CYS 590 H 0.06 0.22 0.20 -0.55 8.50 8.43 2ok5A1 CYS 590 HA 0.13 0.07 0.60 -0.75 4.58 4.62 2ok5A1 CYS 590 HB2 0.10 0.06 0.16 -0.04 2.97 3.25 2ok5A1 CYS 590 HB3 0.10 0.03 0.17 -0.04 2.97 3.23 2ok5A1 GLN 591 H 0.05 0.13 -0.03 -0.55 8.47 8.07 2ok5A1 GLN 591 HA 0.00 0.14 0.58 -0.75 4.36 4.33 2ok5A1 GLN 591 HB2 0.02 -0.03 0.10 -0.04 2.15 2.20 2ok5A1 GLN 591 HB3 -0.00 0.05 -0.10 -0.04 2.02 1.93 2ok5A1 GLN 591 HG2 0.02 0.02 0.02 -0.04 2.40 2.42 2ok5A1 GLN 591 HG3 0.01 0.03 0.01 -0.04 2.39 2.40 2ok5A1 GLN 591 HE21 -0.02 0.03 -0.01 -0.04 6.97 6.93 2ok5A1 GLN 591 HE22 -0.00 -0.00 -0.01 -0.04 7.69 7.64 2ok5A1 GLN 592 H 0.02 0.02 -0.30 -0.55 8.47 7.66 2ok5A1 GLN 592 HA -0.01 0.09 0.50 -0.75 4.36 4.18 2ok5A1 GLN 592 HB2 0.01 0.02 0.14 -0.04 2.15 2.28 2ok5A1 GLN 592 HB3 -0.00 0.09 -0.00 -0.04 2.02 2.06 2ok5A1 GLN 592 HG2 -0.01 0.06 0.02 -0.04 2.40 2.44 2ok5A1 GLN 592 HG3 0.00 -0.08 0.02 -0.04 2.39 2.29 2ok5A1 GLN 592 HE21 -0.00 0.04 -0.02 -0.04 6.97 6.94 2ok5A1 GLN 592 HE22 -0.00 0.02 -0.01 -0.04 7.69 7.66 2ok5A1 GLN 593 H 0.05 0.35 -0.24 -0.55 8.47 8.08 2ok5A1 GLN 593 HA 0.04 0.11 0.39 -0.75 4.36 4.14 2ok5A1 GLN 593 HB2 0.21 0.07 0.18 -0.04 2.15 2.57 2ok5A1 GLN 593 HB3 0.20 -0.04 -0.04 -0.04 2.02 2.11 2ok5A1 GLN 593 HG2 0.03 0.05 -0.11 -0.04 2.40 2.33 2ok5A1 GLN 593 HG3 0.05 0.22 -0.08 -0.04 2.39 2.53 2ok5A1 GLN 593 HE21 -0.04 0.28 0.01 -0.04 6.97 7.18 2ok5A1 GLN 593 HE22 -0.01 0.08 -0.16 -0.04 7.69 7.56 2ok5A1 LYS 594 H -0.01 0.53 -0.08 -0.55 8.42 8.30 2ok5A1 LYS 594 HA -0.78 -0.01 0.45 -0.75 4.32 3.24 2ok5A1 LYS 594 HB2 -0.69 0.01 0.13 -0.04 1.87 1.27 2ok5A1 LYS 594 HB3 -0.25 0.08 0.14 -0.04 1.79 1.72 2ok5A1 LYS 594 HG2 -0.31 0.06 -0.13 -0.04 1.46 1.04 2ok5A1 LYS 594 HG3 -0.74 -0.03 0.05 -0.04 1.46 0.71 2ok5A1 LYS 594 HD2 -0.36 0.00 -0.01 -0.04 1.69 1.28 2ok5A1 LYS 594 HD3 -0.59 -0.04 0.01 -0.04 1.68 1.01 2ok5A1 LYS 594 HE2 -0.09 -0.04 -0.01 -0.04 2.99 2.80 2ok5A1 LYS 594 HE3 -0.13 0.02 -0.03 -0.04 2.99 2.82 2ok5A1 GLU 595 H -0.10 0.42 -0.30 -0.55 8.60 8.08 2ok5A1 GLU 595 HA -0.09 0.04 0.30 -0.75 4.29 3.79 2ok5A1 GLU 595 HB2 -0.04 0.11 0.11 -0.04 2.09 2.23 2ok5A1 GLU 595 HB3 -0.04 -0.04 -0.02 -0.04 1.99 1.84 2ok5A1 GLU 595 HG2 -0.05 -0.05 0.01 -0.04 2.34 2.21 2ok5A1 GLU 595 HG3 -0.06 0.11 0.05 -0.04 2.34 2.39 2ok5A1 GLU 596 H -0.04 0.31 -0.34 -0.55 8.60 7.99 2ok5A1 GLU 596 HA -0.03 0.02 0.47 -0.75 4.29 3.98 2ok5A1 GLU 596 HB2 -0.02 0.04 0.09 -0.04 2.09 2.16 2ok5A1 GLU 596 HB3 -0.01 0.08 0.07 -0.04 1.99 2.09 2ok5A1 GLU 596 HG2 -0.03 0.01 -0.05 -0.04 2.34 2.23 2ok5A1 GLU 596 HG3 -0.03 -0.01 -0.01 -0.04 2.34 2.24 2ok5A1 LEU 597 H -0.05 0.23 -0.28 -0.55 8.37 7.72 2ok5A1 LEU 597 HA -0.01 0.11 0.56 -0.75 4.35 4.26 2ok5A1 LEU 597 HB2 0.07 -0.01 0.07 -0.04 1.64 1.74 2ok5A1 LEU 597 HB3 0.10 -0.07 -0.07 -0.04 1.64 1.56 2ok5A1 LEU 597 HG 0.05 0.05 -0.10 -0.04 1.64 1.60 2ok5A1 LEU 597 HD13 0.22 -0.04 -0.15 -0.04 0.93 0.91 2ok5A1 LEU 597 HD23 0.00 0.01 -0.12 -0.04 0.89 0.75 2ok5A1 LEU 598 H -0.14 0.61 0.06 -0.55 8.37 8.35 2ok5A1 LEU 598 HA -0.04 0.15 0.84 -0.75 4.35 4.54 2ok5A1 LEU 598 HB2 -0.25 -0.02 0.21 -0.04 1.64 1.54 2ok5A1 LEU 598 HB3 -0.08 -0.01 0.15 -0.04 1.64 1.66 2ok5A1 LEU 598 HG 0.01 -0.07 -0.19 -0.04 1.64 1.34 2ok5A1 LEU 598 HD13 -0.00 -0.02 0.01 -0.04 0.93 0.88 2ok5A1 LEU 598 HD23 0.03 0.04 -0.06 -0.04 0.89 0.86 2ok5A1 PRO 599 HA -0.06 0.06 0.59 -0.51 4.44 4.53 2ok5A1 PRO 599 HB2 -0.03 -0.11 -0.05 -0.04 2.28 2.05 2ok5A1 PRO 599 HB3 -0.04 0.22 0.10 -0.04 2.02 2.26 2ok5A1 PRO 599 HG2 -0.02 -0.11 -0.17 -0.04 2.03 1.69 2ok5A1 PRO 599 HG3 -0.03 0.05 -0.08 -0.04 2.03 1.94 2ok5A1 PRO 599 HD2 -0.03 0.20 -0.35 -0.04 3.68 3.45 2ok5A1 PRO 599 HD3 -0.05 0.23 -0.57 -0.04 3.65 3.23 2ok5A1 ALA 600 H -0.03 0.10 0.07 -0.55 8.40 7.99 2ok5A1 ALA 600 HA -0.02 0.39 0.47 -0.75 4.34 4.42 2ok5A1 ALA 600 HB3 -0.02 -0.03 0.20 -0.04 1.41 1.52 2ok5A1 GLN 601 H -0.01 0.68 -0.18 -0.55 8.47 8.41 2ok5A1 GLN 601 HA -0.02 0.04 0.71 -0.75 4.36 4.33 2ok5A1 GLN 601 HB2 -0.00 0.10 -0.30 -0.04 2.15 1.91 2ok5A1 GLN 601 HB3 -0.00 -0.01 0.03 -0.04 2.02 2.00 2ok5A1 GLN 601 HG2 -0.02 -0.00 -0.11 -0.04 2.40 2.23 2ok5A1 GLN 601 HG3 -0.02 -0.11 -0.70 -0.04 2.39 1.52 2ok5A1 GLN 601 HE21 -0.02 0.02 -0.04 -0.04 6.97 6.89 2ok5A1 GLN 601 HE22 -0.02 -0.03 -0.08 -0.04 7.69 7.52 2ok5A1 ASP 602 H -0.01 0.14 0.11 -0.55 8.40 8.10 2ok5A1 ASP 602 HA 0.04 0.29 0.89 -0.75 4.63 5.11 2ok5A1 ASP 602 HB2 -0.02 -0.01 0.16 -0.04 2.71 2.80 2ok5A1 ASP 602 HB3 0.05 0.07 -0.02 -0.04 2.70 2.76 2ok5A1 ILE 603 H 0.07 0.58 0.25 -0.55 8.25 8.60 2ok5A1 ILE 603 HA 0.05 0.11 0.70 -0.75 4.18 4.28 2ok5A1 ILE 603 HB 0.00 -0.13 0.14 -0.04 1.89 1.86 2ok5A1 ILE 603 HG12 -0.01 0.04 -0.09 -0.04 1.49 1.39 2ok5A1 ILE 603 HG13 0.01 -0.05 -0.24 -0.04 1.21 0.88 2ok5A1 ILE 603 HG23 -0.02 0.09 0.01 -0.04 0.93 0.97 2ok5A1 ILE 603 HD13 -0.01 0.06 0.06 -0.04 0.88 0.94 2ok5A1 LYS 604 H 0.01 0.15 0.20 -0.55 8.42 8.22 2ok5A1 LYS 604 HA -0.78 0.15 0.79 -0.75 4.32 3.73 2ok5A1 LYS 604 HB2 -0.04 -0.02 0.14 -0.04 1.87 1.91 2ok5A1 LYS 604 HB3 -0.09 -0.01 0.19 -0.04 1.79 1.83 2ok5A1 LYS 604 HG2 -0.28 0.12 0.01 -0.04 1.46 1.27 2ok5A1 LYS 604 HG3 -0.39 -0.03 0.05 -0.04 1.46 1.06 2ok5A1 LYS 604 HD2 -0.06 0.01 -0.01 -0.04 1.69 1.59 2ok5A1 LYS 604 HD3 -0.05 -0.03 0.00 -0.04 1.68 1.56 2ok5A1 LYS 604 HE2 0.06 0.01 -0.00 -0.04 2.99 3.01 2ok5A1 LYS 604 HE3 0.01 -0.01 0.03 -0.04 2.99 2.98 2ok5A1 ALA 605 H -0.33 0.70 0.50 -0.55 8.40 8.73 2ok5A1 ALA 605 HA -0.06 0.14 0.85 -0.75 4.34 4.51 2ok5A1 ALA 605 HB3 -0.06 -0.02 -0.12 -0.04 1.41 1.16 2ok5A1 LEU 606 H 0.00 0.63 0.42 -0.55 8.37 8.87 2ok5A1 LEU 606 HA -0.02 0.21 0.86 -0.75 4.35 4.64 2ok5A1 LEU 606 HB2 -0.05 0.01 -0.04 -0.04 1.64 1.52 2ok5A1 LEU 606 HB3 -0.00 -0.01 -0.22 -0.04 1.64 1.37 2ok5A1 LEU 606 HG 0.08 0.02 -0.07 -0.04 1.64 1.63 2ok5A1 LEU 606 HD13 0.09 -0.01 -0.32 -0.04 0.93 0.65 2ok5A1 LEU 606 HD23 0.17 -0.01 -0.17 -0.04 0.89 0.84 2ok5A1 PHE 607 H -0.28 0.54 0.31 -0.55 8.34 8.36 2ok5A1 PHE 607 HA 0.04 0.25 0.49 -0.75 4.62 4.65 2ok5A1 PHE 607 HB2 0.05 0.09 0.10 -0.04 3.15 3.35 2ok5A1 PHE 607 HB3 -0.01 -0.03 0.03 -0.04 3.06 3.01 2ok5A1 PHE 607 HD2 0.02 0.07 -0.30 -0.04 7.28 7.03 2ok5A1 PHE 607 HE2 0.03 0.01 -0.26 -0.04 7.38 7.12 2ok5A1 PHE 607 HZ 0.03 0.09 -0.57 -0.04 7.32 6.83 2ok5A1 VAL 608 H 0.26 0.27 0.15 -0.55 8.24 8.37 2ok5A1 VAL 608 HA -0.06 0.23 0.93 -0.75 4.13 4.48 2ok5A1 VAL 608 HB 0.13 0.01 0.09 -0.04 2.12 2.30 2ok5A1 VAL 608 HG13 -0.10 -0.00 -0.21 -0.04 0.97 0.62 2ok5A1 VAL 608 HG23 0.14 0.00 -0.16 -0.04 0.95 0.89 2ok5A1 SER 609 H -0.05 0.63 0.27 -0.55 8.46 8.77 2ok5A1 SER 609 HA 0.16 0.10 0.83 -0.75 4.49 4.83 2ok5A1 SER 609 HB2 0.21 0.00 -0.12 -0.04 3.95 4.00 2ok5A1 SER 609 HB3 -0.00 0.07 0.02 -0.04 3.93 3.98 2ok5A1 GLU 610 H 0.08 0.13 0.07 -0.55 8.60 8.33 2ok5A1 GLU 610 HA 0.01 0.46 0.98 -0.75 4.29 4.98 2ok5A1 GLU 610 HB2 0.04 0.05 -0.13 -0.04 2.09 2.00 2ok5A1 GLU 610 HB3 0.05 -0.05 0.00 -0.04 1.99 1.95 2ok5A1 GLU 610 HG2 0.03 -0.10 -0.34 -0.04 2.34 1.88 2ok5A1 GLU 610 HG3 0.02 0.10 -0.38 -0.04 2.34 2.05 2ok5A1 GLU 611 H 0.01 0.71 0.08 -0.55 8.60 8.86 2ok5A1 GLU 611 HA 0.03 0.07 0.78 -0.75 4.29 4.43 2ok5A1 GLU 611 HB2 0.03 -0.01 -0.15 -0.04 2.09 1.93 2ok5A1 GLU 611 HB3 0.02 0.06 0.09 -0.04 1.99 2.12 2ok5A1 GLU 611 HG2 0.02 0.02 -0.17 -0.04 2.34 2.18 2ok5A1 GLU 611 HG3 0.03 -0.04 -0.01 -0.04 2.34 2.28 2ok5A1 GLU 612 H 0.03 0.15 0.01 -0.55 8.60 8.25 2ok5A1 GLU 612 HA 0.03 0.04 0.30 -0.75 4.29 3.91 2ok5A1 GLU 612 HB2 0.02 0.26 0.10 -0.04 2.09 2.43 2ok5A1 GLU 612 HB3 0.03 0.02 0.20 -0.04 1.99 2.19 2ok5A1 GLU 612 HG2 0.03 0.01 -0.00 -0.04 2.34 2.34 2ok5A1 GLU 612 HG3 0.03 -0.11 -0.17 -0.04 2.34 2.04 2ok5A1 LYS 613 H 0.04 0.05 -0.14 -0.55 8.42 7.81 2ok5A1 LYS 613 HA 0.05 0.01 0.21 -0.75 4.32 3.84 2ok5A1 LYS 613 HB2 0.04 -0.05 -0.29 -0.04 1.87 1.52 2ok5A1 LYS 613 HB3 0.04 0.13 0.14 -0.04 1.79 2.05 2ok5A1 LYS 613 HG2 0.04 0.02 -0.02 -0.04 1.46 1.46 2ok5A1 LYS 613 HG3 0.07 -0.02 0.05 -0.04 1.46 1.52 2ok5A1 LYS 613 HD2 0.04 -0.04 -0.05 -0.04 1.69 1.60 2ok5A1 LYS 613 HD3 0.04 0.03 -0.05 -0.04 1.68 1.65 2ok5A1 LYS 613 HE2 0.08 0.02 -0.05 -0.04 2.99 3.00 2ok5A1 LYS 613 HE3 0.07 -0.03 -0.01 -0.04 2.99 2.99 2ok5A1 LYS 614 H 0.02 0.28 -0.88 -0.55 8.42 7.28 2ok5A1 LYS 614 HA -0.02 0.07 0.66 -0.75 4.32 4.28 2ok5A1 LYS 614 HB2 -0.00 0.14 0.04 -0.04 1.87 2.01 2ok5A1 LYS 614 HB3 -0.02 0.03 -0.08 -0.04 1.79 1.67 2ok5A1 LYS 614 HG2 0.00 -0.04 -0.01 -0.04 1.46 1.37 2ok5A1 LYS 614 HG3 0.01 0.07 -0.03 -0.04 1.46 1.47 2ok5A1 LYS 614 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.62 2ok5A1 LYS 614 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.61 2ok5A1 LYS 614 HE2 0.02 0.10 0.06 -0.04 2.99 3.12 2ok5A1 LYS 614 HE3 0.02 -0.00 0.01 -0.04 2.99 2.97 2ok5A1 LEU 615 H -0.10 0.13 0.14 -0.55 8.37 7.99 2ok5A1 LEU 615 HA -0.08 0.28 0.85 -0.75 4.35 4.65 2ok5A1 LEU 615 HB2 -0.27 -0.04 0.12 -0.04 1.64 1.41 2ok5A1 LEU 615 HB3 -0.21 0.02 -0.08 -0.04 1.64 1.32 2ok5A1 LEU 615 HG -0.25 0.01 -0.13 -0.04 1.64 1.22 2ok5A1 LEU 615 HD13 -0.93 -0.00 -0.14 -0.04 0.93 -0.18 2ok5A1 LEU 615 HD23 -0.10 0.00 -0.24 -0.04 0.89 0.51 2ok5A1 THR 616 H -0.06 0.62 0.27 -0.55 8.28 8.56 2ok5A1 THR 616 HA -0.08 0.18 0.90 -0.75 4.39 4.64 2ok5A1 THR 616 HB -0.05 0.03 0.06 -0.04 4.32 4.32 2ok5A1 THR 616 HG23 -0.03 0.01 -0.20 -0.04 1.22 0.96 2ok5A1 ARG 617 H -0.08 0.13 0.11 -0.55 8.46 8.07 2ok5A1 ARG 617 HA -0.13 0.21 0.75 -0.75 4.34 4.42 2ok5A1 ARG 617 HB2 -0.04 -0.05 0.09 -0.04 1.90 1.86 2ok5A1 ARG 617 HB3 -0.04 0.02 -0.05 -0.04 1.80 1.69 2ok5A1 ARG 617 HG2 -0.02 0.04 -0.11 -0.04 1.67 1.54 2ok5A1 ARG 617 HG3 -0.07 -0.03 -0.05 -0.04 1.67 1.48 2ok5A1 ARG 617 HD2 0.02 -0.05 -0.04 -0.04 3.22 3.11 2ok5A1 ARG 617 HD3 0.07 -0.00 -0.09 -0.04 3.22 3.16 2ok5A1 LYS 618 H -0.39 0.66 0.31 -0.55 8.42 8.45 2ok5A1 LYS 618 HA -0.17 0.13 0.84 -0.75 4.32 4.37 2ok5A1 LYS 618 HB2 -1.47 -0.05 0.07 -0.04 1.87 0.38 2ok5A1 LYS 618 HB3 -0.37 0.05 -0.07 -0.04 1.79 1.37 2ok5A1 LYS 618 HG2 -0.24 0.02 -0.49 -0.04 1.46 0.71 2ok5A1 LYS 618 HG3 -0.35 -0.07 -0.14 -0.04 1.46 0.87 2ok5A1 LYS 618 HD2 -0.01 -0.03 -0.08 -0.04 1.69 1.53 2ok5A1 LYS 618 HD3 -0.08 0.06 -0.01 -0.04 1.68 1.61 2ok5A1 LYS 618 HE2 -0.07 0.03 -0.18 -0.04 2.99 2.73 2ok5A1 LYS 618 HE3 -0.01 -0.06 -0.10 -0.04 2.99 2.77 2ok5A1 GLU 619 H -0.06 0.16 0.12 -0.55 8.60 8.27 2ok5A1 GLU 619 HA -0.08 0.21 0.90 -0.75 4.29 4.57 2ok5A1 GLU 619 HB2 -0.04 -0.02 0.13 -0.04 2.09 2.12 2ok5A1 GLU 619 HB3 0.00 -0.03 0.22 -0.04 1.99 2.14 2ok5A1 GLU 619 HG2 0.05 -0.00 -0.22 -0.04 2.34 2.13 2ok5A1 GLU 619 HG3 -0.25 0.14 0.06 -0.04 2.34 2.25 2ok5A1 VAL 620 H -0.09 0.67 0.35 -0.55 8.24 8.63 2ok5A1 VAL 620 HA 0.14 0.18 0.78 -0.75 4.13 4.48 2ok5A1 VAL 620 HB 0.12 -0.10 0.05 -0.04 2.12 2.15 2ok5A1 VAL 620 HG13 0.30 0.02 -0.24 -0.04 0.97 1.01 2ok5A1 VAL 620 HG23 0.10 -0.02 -0.30 -0.04 0.95 0.69 2ok5A1 TYR 621 H 0.23 0.17 0.14 -0.55 8.29 8.27 2ok5A1 TYR 621 HA 0.03 0.43 1.07 -0.75 4.56 5.34 2ok5A1 TYR 621 HB2 0.04 -0.00 0.01 -0.04 3.06 3.06 2ok5A1 TYR 621 HB3 0.01 -0.04 -0.16 -0.04 2.98 2.75 2ok5A1 TYR 621 HD2 0.11 -0.02 -0.41 -0.04 7.15 6.79 2ok5A1 TYR 621 HE2 0.07 0.01 -0.14 -0.04 6.85 6.75 2ok5A1 ILE 622 H 0.03 0.69 0.26 -0.55 8.25 8.69 2ok5A1 ILE 622 HA 0.02 0.27 0.70 -0.75 4.18 4.42 2ok5A1 ILE 622 HB 0.01 -0.04 0.18 -0.04 1.89 1.99 2ok5A1 ILE 622 HG12 -0.05 -0.04 -0.19 -0.04 1.49 1.17 2ok5A1 ILE 622 HG13 -0.04 0.06 -0.10 -0.04 1.21 1.09 2ok5A1 ILE 622 HG23 0.02 -0.02 -0.14 -0.04 0.93 0.76 2ok5A1 ILE 622 HD13 -0.02 0.00 -0.14 -0.04 0.88 0.68 2ok5A1 LYS 623 H 0.01 0.73 0.34 -0.55 8.42 8.95 2ok5A1 LYS 623 HA 0.01 -0.01 0.68 -0.75 4.32 4.25 2ok5A1 LYS 623 HB2 -0.01 0.00 0.10 -0.04 1.87 1.92 2ok5A1 LYS 623 HB3 -0.01 -0.22 -0.19 -0.04 1.79 1.32 2ok5A1 LYS 623 HG2 -0.02 0.14 0.01 -0.04 1.46 1.54 2ok5A1 LYS 623 HG3 -0.03 0.01 -0.04 -0.04 1.46 1.36 2ok5A1 LYS 623 HD2 -0.05 -0.09 0.00 -0.04 1.69 1.52 2ok5A1 LYS 623 HD3 0.01 -0.11 -0.27 -0.04 1.68 1.26 2ok5A1 LYS 623 HE2 -0.06 0.43 0.14 -0.04 2.99 3.46 2ok5A1 LYS 623 HE3 0.01 -0.17 -0.05 -0.04 2.99 2.74 2ok5A1 ASN 624 H 0.01 0.57 0.25 -0.55 8.53 8.81 2ok5A1 ASN 624 HA 0.01 0.17 0.93 -0.75 4.76 5.12 2ok5A1 ASN 624 HB2 0.01 -0.08 -0.06 -0.04 2.88 2.70 2ok5A1 ASN 624 HB3 -0.00 0.17 0.17 -0.04 2.79 3.08 2ok5A1 ASN 624 HD21 -0.04 -0.03 -0.05 -0.04 7.03 6.87 2ok5A1 ASN 624 HD22 -0.03 0.53 -0.19 -0.04 7.74 8.01 2ok5A1 GLY 625 H -0.01 -0.07 -0.24 -0.55 8.43 7.57 2ok5A1 GLY 625 HA2 -0.01 0.29 0.67 -0.51 4.01 4.45 2ok5A1 GLY 625 HA3 -0.02 0.01 0.15 -0.51 4.01 3.64 2ok5A1 ASP 626 H -0.02 0.21 0.09 -0.55 8.40 8.13 2ok5A1 ASP 626 HA -0.01 0.13 0.37 -0.75 4.63 4.36 2ok5A1 ASP 626 HB2 -0.01 0.03 0.11 -0.04 2.71 2.79 2ok5A1 ASP 626 HB3 -0.02 0.04 0.13 -0.04 2.70 2.81 2ok5A1 LYS 627 H -0.02 0.02 -0.46 -0.55 8.42 7.41 2ok5A1 LYS 627 HA -0.02 0.14 0.47 -0.75 4.32 4.15 2ok5A1 LYS 627 HB2 -0.03 -0.04 -0.05 -0.04 1.87 1.71 2ok5A1 LYS 627 HB3 -0.03 0.09 0.03 -0.04 1.79 1.84 2ok5A1 LYS 627 HG2 -0.05 0.02 -0.09 -0.04 1.46 1.31 2ok5A1 LYS 627 HG3 -0.05 -0.09 -0.08 -0.04 1.46 1.19 2ok5A1 LYS 627 HD2 -0.09 0.03 -0.10 -0.04 1.69 1.49 2ok5A1 LYS 627 HD3 -0.08 0.11 -0.16 -0.04 1.68 1.50 2ok5A1 LYS 627 HE2 -0.16 -0.02 -0.24 -0.04 2.99 2.53 2ok5A1 LYS 627 HE3 -0.09 -0.01 -0.10 -0.04 2.99 2.75 2ok5A1 LYS 628 H 0.00 0.38 -0.47 -0.55 8.42 7.78 2ok5A1 LYS 628 HA 0.02 0.16 0.33 -0.75 4.32 4.08 2ok5A1 LYS 628 HB2 0.02 0.06 -0.07 -0.04 1.87 1.84 2ok5A1 LYS 628 HB3 0.02 -0.06 0.02 -0.04 1.79 1.74 2ok5A1 LYS 628 HG2 0.06 -0.09 -0.18 -0.04 1.46 1.21 2ok5A1 LYS 628 HG3 0.05 0.12 0.10 -0.04 1.46 1.69 2ok5A1 LYS 628 HD2 0.03 0.07 -0.02 -0.04 1.69 1.72 2ok5A1 LYS 628 HD3 0.04 -0.07 -0.05 -0.04 1.68 1.55 2ok5A1 LYS 628 HE2 0.08 -0.00 -0.00 -0.04 2.99 3.02 2ok5A1 LYS 628 HE3 0.05 0.04 0.06 -0.04 2.99 3.09 2ok5A1 GLY 629 H 0.02 0.20 -0.18 -0.55 8.43 7.93 2ok5A1 GLY 629 HA2 0.04 0.06 0.32 -0.51 4.01 3.92 2ok5A1 GLY 629 HA3 0.03 0.07 0.25 -0.51 4.01 3.84 2ok5A1 SER 630 H 0.02 0.16 -0.27 -0.55 8.46 7.82 2ok5A1 SER 630 HA 0.04 0.04 0.43 -0.75 4.49 4.25 2ok5A1 SER 630 HB2 0.03 0.00 0.03 -0.04 3.95 3.97 2ok5A1 SER 630 HB3 0.02 -0.03 0.05 -0.04 3.93 3.93 2ok5A1 CYS 631 H 0.02 0.48 -0.17 -0.55 8.50 8.29 2ok5A1 CYS 631 HA 0.01 0.04 0.47 -0.75 4.58 4.34 2ok5A1 CYS 631 HB2 -0.02 0.06 0.08 -0.04 2.97 3.05 2ok5A1 CYS 631 HB3 0.01 0.08 0.14 -0.04 2.97 3.16 2ok5A1 GLU 632 H 0.10 0.68 -0.02 -0.55 8.60 8.82 2ok5A1 GLU 632 HA 0.40 0.01 0.30 -0.75 4.29 4.24 2ok5A1 GLU 632 HB2 0.09 0.06 0.08 -0.04 2.09 2.28 2ok5A1 GLU 632 HB3 0.10 -0.06 -0.04 -0.04 1.99 1.96 2ok5A1 GLU 632 HG2 0.24 -0.05 -0.07 -0.04 2.34 2.43 2ok5A1 GLU 632 HG3 0.12 0.26 0.04 -0.04 2.34 2.72 2ok5A1 ARG 633 H 0.09 0.50 -0.23 -0.55 8.46 8.27 2ok5A1 ARG 633 HA 0.05 -0.01 0.42 -0.75 4.34 4.05 2ok5A1 ARG 633 HB2 0.06 0.07 0.11 -0.04 1.90 2.10 2ok5A1 ARG 633 HB3 0.04 -0.04 0.05 -0.04 1.80 1.80 2ok5A1 ARG 633 HG2 0.02 -0.08 0.03 -0.04 1.67 1.60 2ok5A1 ARG 633 HG3 0.04 0.23 0.05 -0.04 1.67 1.95 2ok5A1 ARG 633 HD2 0.01 -0.01 0.00 -0.04 3.22 3.19 2ok5A1 ARG 633 HD3 0.02 -0.05 -0.02 -0.04 3.22 3.13 2ok5A1 ASP 634 H 0.16 0.47 -0.35 -0.55 8.40 8.13 2ok5A1 ASP 634 HA 0.31 -0.01 0.46 -0.75 4.63 4.63 2ok5A1 ASP 634 HB2 0.17 0.30 0.12 -0.04 2.71 3.26 2ok5A1 ASP 634 HB3 0.27 -0.02 0.15 -0.04 2.70 3.06 2ok5A1 ALA 635 H 0.23 0.44 -0.56 -0.55 8.40 7.96 2ok5A1 ALA 635 HA 0.40 0.02 0.49 -0.75 4.34 4.49 2ok5A1 ALA 635 HB3 0.17 0.01 0.04 -0.04 1.41 1.59 2ok5A1 GLN 636 H 0.03 0.43 -0.18 -0.55 8.47 8.20 2ok5A1 GLN 636 HA 0.01 0.17 0.36 -0.75 4.36 4.15 2ok5A1 GLN 636 HB2 -0.19 0.04 0.08 -0.04 2.15 2.03 2ok5A1 GLN 636 HB3 -0.11 -0.01 0.13 -0.04 2.02 1.99 2ok5A1 GLN 636 HG2 -0.36 0.08 0.08 -0.04 2.40 2.16 2ok5A1 GLN 636 HG3 -1.02 -0.03 -0.23 -0.04 2.39 1.07 2ok5A1 GLN 636 HE21 -0.09 -0.09 -0.02 -0.04 6.97 6.73 2ok5A1 GLN 636 HE22 -0.11 0.08 -0.08 -0.04 7.69 7.54 2ok5A1 TYR 637 H 0.06 0.30 -0.47 -0.55 8.29 7.62 2ok5A1 TYR 637 HA -0.04 0.05 0.58 -0.75 4.56 4.39 2ok5A1 TYR 637 HB2 -0.05 0.25 0.11 -0.04 3.06 3.32 2ok5A1 TYR 637 HB3 -0.26 -0.08 0.07 -0.04 2.98 2.68 2ok5A1 TYR 637 HD2 -0.13 0.07 0.07 -0.04 7.15 7.11 2ok5A1 TYR 637 HE2 -0.06 -0.02 -0.02 -0.04 6.85 6.70 2ok5A1 ALA 638 H 0.22 0.43 -0.30 -0.55 8.40 8.20 2ok5A1 ALA 638 HA 0.13 0.31 0.67 -0.75 4.34 4.70 2ok5A1 ALA 638 HB3 0.20 -0.01 0.12 -0.04 1.41 1.68 2ok5A1 PRO 639 HA -0.02 0.03 0.55 -0.51 4.44 4.50 2ok5A1 PRO 639 HB2 -0.04 -0.01 0.10 -0.04 2.28 2.29 2ok5A1 PRO 639 HB3 -0.01 -0.00 0.14 -0.04 2.02 2.11 2ok5A1 PRO 639 HG2 0.00 -0.03 0.16 -0.04 2.03 2.12 2ok5A1 PRO 639 HG3 0.03 0.07 0.19 -0.04 2.03 2.27 2ok5A1 PRO 639 HD2 -0.05 0.04 0.28 -0.04 3.68 3.91 2ok5A1 PRO 639 HD3 0.05 0.46 0.43 -0.04 3.65 4.55 2ok5A1 GLY 640 H -0.03 0.12 0.20 -0.55 8.43 8.18 2ok5A1 GLY 640 HA2 -0.02 -0.01 0.44 -0.51 4.01 3.91 2ok5A1 GLY 640 HA3 -0.11 0.19 0.83 -0.51 4.01 4.41 2ok5A1 TYR 641 H -0.01 0.44 -0.41 -0.55 8.29 7.76 2ok5A1 TYR 641 HA -0.06 0.14 0.76 -0.75 4.56 4.64 2ok5A1 TYR 641 HB2 -0.00 0.25 -0.00 -0.04 3.06 3.27 2ok5A1 TYR 641 HB3 -0.04 -0.08 0.09 -0.04 2.98 2.90 2ok5A1 TYR 641 HD2 -0.05 0.08 -0.23 -0.04 7.15 6.90 2ok5A1 TYR 641 HE2 -0.90 -0.02 -0.03 -0.04 6.85 5.85 2ok5A1 ASP 642 H 0.05 -0.00 -0.18 -0.55 8.40 7.72 2ok5A1 ASP 642 HA -0.02 0.34 0.44 -0.75 4.63 4.63 2ok5A1 ASP 642 HB2 -0.01 -0.03 0.07 -0.04 2.71 2.70 2ok5A1 ASP 642 HB3 0.00 0.13 0.11 -0.04 2.70 2.90 2ok5A1 LYS 643 H 0.01 0.09 -0.25 -0.55 8.42 7.72 2ok5A1 LYS 643 HA -0.02 0.16 0.69 -0.75 4.32 4.40 2ok5A1 LYS 643 HB2 -0.01 0.09 0.03 -0.04 1.87 1.94 2ok5A1 LYS 643 HB3 -0.02 -0.03 0.08 -0.04 1.79 1.79 2ok5A1 LYS 643 HG2 -0.01 0.03 -0.06 -0.04 1.46 1.37 2ok5A1 LYS 643 HG3 -0.01 -0.06 -0.05 -0.04 1.46 1.31 2ok5A1 LYS 643 HD2 -0.01 0.05 0.02 -0.04 1.69 1.70 2ok5A1 LYS 643 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.61 2ok5A1 LYS 643 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 2ok5A1 LYS 643 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 2ok5A1 VAL 644 H -0.01 0.20 -0.37 -0.55 8.24 7.51 2ok5A1 VAL 644 HA -0.07 -0.02 0.38 -0.75 4.13 3.68 2ok5A1 VAL 644 HB -0.08 0.14 0.03 -0.04 2.12 2.17 2ok5A1 VAL 644 HG13 -0.14 -0.07 -0.27 -0.04 0.97 0.45 2ok5A1 VAL 644 HG23 -0.14 -0.02 0.00 -0.04 0.95 0.76 2ok5A1 LYS 645 H -0.06 0.10 0.22 -0.55 8.42 8.13 2ok5A1 LYS 645 HA -0.04 0.15 0.52 -0.75 4.32 4.19 2ok5A1 LYS 645 HB2 -0.04 -0.07 0.17 -0.04 1.87 1.88 2ok5A1 LYS 645 HB3 -0.03 -0.04 0.04 -0.04 1.79 1.71 2ok5A1 LYS 645 HG2 -0.03 -0.01 0.05 -0.04 1.46 1.43 2ok5A1 LYS 645 HG3 -0.04 0.22 0.11 -0.04 1.46 1.71 2ok5A1 LYS 645 HD2 -0.04 -0.01 0.07 -0.04 1.69 1.67 2ok5A1 LYS 645 HD3 -0.03 -0.05 0.04 -0.04 1.68 1.59 2ok5A1 LYS 645 HE2 -0.03 -0.02 0.03 -0.04 2.99 2.93 2ok5A1 LYS 645 HE3 -0.03 0.08 0.04 -0.04 2.99 3.04 2ok5A1 ASP 646 H -0.06 0.13 -0.01 -0.55 8.40 7.90 2ok5A1 ASP 646 HA -0.04 0.17 0.84 -0.75 4.63 4.85 2ok5A1 ASP 646 HB2 -0.04 0.05 -0.01 -0.04 2.71 2.68 2ok5A1 ASP 646 HB3 -0.05 0.00 0.15 -0.04 2.70 2.76 2ok5A1 ILE 647 H -0.03 0.24 0.10 -0.55 8.25 8.01 2ok5A1 ILE 647 HA -0.08 0.14 0.20 -0.75 4.18 3.68 2ok5A1 ILE 647 HB -0.03 0.09 0.08 -0.04 1.89 1.99 2ok5A1 ILE 647 HG12 0.02 0.10 0.05 -0.04 1.49 1.61 2ok5A1 ILE 647 HG13 -0.03 -0.07 0.03 -0.04 1.21 1.10 2ok5A1 ILE 647 HG23 0.00 -0.01 -0.10 -0.04 0.93 0.79 2ok5A1 ILE 647 HD13 -0.03 -0.00 -0.10 -0.04 0.88 0.71 2ok5A1 SER 648 H -0.02 0.05 -0.23 -0.55 8.46 7.72 2ok5A1 SER 648 HA 0.02 0.30 0.43 -0.75 4.49 4.49 2ok5A1 SER 648 HB2 0.03 0.04 0.05 -0.04 3.95 4.03 2ok5A1 SER 648 HB3 0.01 -0.01 0.07 -0.04 3.93 3.96 2ok5A1 GLU 649 H -0.06 0.33 -0.43 -0.55 8.60 7.90 2ok5A1 GLU 649 HA -0.03 0.06 0.48 -0.75 4.29 4.04 2ok5A1 GLU 649 HB2 -0.13 0.12 0.03 -0.04 2.09 2.06 2ok5A1 GLU 649 HB3 -0.17 -0.02 0.07 -0.04 1.99 1.83 2ok5A1 GLU 649 HG2 -0.06 -0.06 0.02 -0.04 2.34 2.19 2ok5A1 GLU 649 HG3 -0.09 -0.02 0.04 -0.04 2.34 2.23 2ok5A1 VAL 650 H -0.10 0.38 -0.29 -0.55 8.24 7.68 2ok5A1 VAL 650 HA 0.06 0.15 0.93 -0.75 4.13 4.51 2ok5A1 VAL 650 HB -0.79 -0.04 0.05 -0.04 2.12 1.29 2ok5A1 VAL 650 HG13 -0.74 -0.00 -0.14 -0.04 0.97 0.05 2ok5A1 VAL 650 HG23 -0.38 0.02 -0.04 -0.04 0.95 0.51 2ok5A1 VAL 651 H -0.04 0.46 0.11 -0.55 8.24 8.21 2ok5A1 VAL 651 HA -0.11 0.08 0.90 -0.75 4.13 4.25 2ok5A1 VAL 651 HB -0.02 -0.04 0.06 -0.04 2.12 2.09 2ok5A1 VAL 651 HG13 -0.01 -0.00 -0.12 -0.04 0.97 0.80 2ok5A1 VAL 651 HG23 -0.26 0.04 -0.06 -0.04 0.95 0.62 2ok5A1 THR 652 H 0.56 0.07 0.05 -0.55 8.28 8.41 2ok5A1 THR 652 HA 0.14 0.28 0.46 -0.75 4.39 4.51 2ok5A1 THR 652 HB 0.08 0.04 0.12 -0.04 4.32 4.52 2ok5A1 THR 652 HG23 0.24 0.06 -0.20 -0.04 1.22 1.28 2ok5A1 PRO 653 HA 0.06 0.17 0.59 -0.51 4.44 4.76 2ok5A1 PRO 653 HB2 0.01 0.02 0.03 -0.04 2.28 2.30 2ok5A1 PRO 653 HB3 0.03 0.05 0.14 -0.04 2.02 2.20 2ok5A1 PRO 653 HG2 0.04 0.03 0.08 -0.04 2.03 2.15 2ok5A1 PRO 653 HG3 0.05 0.06 0.08 -0.04 2.03 2.18 2ok5A1 PRO 653 HD2 0.04 0.07 0.19 -0.04 3.68 3.95 2ok5A1 PRO 653 HD3 0.07 0.19 0.21 -0.04 3.65 4.08 2ok5A1 ARG 654 H -0.12 -0.00 -0.41 -0.55 8.46 7.38 2ok5A1 ARG 654 HA -0.19 0.18 0.62 -0.75 4.34 4.20 2ok5A1 ARG 654 HB2 -0.63 -0.07 0.06 -0.04 1.90 1.23 2ok5A1 ARG 654 HB3 -0.60 -0.05 0.13 -0.04 1.80 1.23 2ok5A1 ARG 654 HG2 -1.08 -0.02 0.02 -0.04 1.67 0.54 2ok5A1 ARG 654 HG3 -0.43 0.12 -0.01 -0.04 1.67 1.31 2ok5A1 ARG 654 HD2 -0.57 -0.06 0.03 -0.04 3.22 2.58 2ok5A1 ARG 654 HD3 -1.99 0.02 -0.00 -0.04 3.22 1.21 2ok5A1 PHE 655 H 0.14 0.39 -0.39 -0.55 8.34 7.92 2ok5A1 PHE 655 HA 0.08 0.20 0.79 -0.75 4.62 4.94 2ok5A1 PHE 655 HB2 0.10 0.13 0.04 -0.04 3.15 3.38 2ok5A1 PHE 655 HB3 0.20 0.06 -0.05 -0.04 3.06 3.22 2ok5A1 PHE 655 HD2 0.09 -0.10 -0.11 -0.04 7.28 7.12 2ok5A1 PHE 655 HE2 0.19 -0.01 -0.15 -0.04 7.38 7.37 2ok5A1 PHE 655 HZ 0.31 0.01 -0.42 -0.04 7.32 7.18 2ok5A1 LEU 656 H 0.29 0.78 0.44 -0.55 8.37 9.33 2ok5A1 LEU 656 HA 0.13 0.19 0.80 -0.75 4.35 4.72 2ok5A1 LEU 656 HB2 0.18 -0.06 -0.02 -0.04 1.64 1.70 2ok5A1 LEU 656 HB3 0.10 -0.01 -0.05 -0.04 1.64 1.64 2ok5A1 LEU 656 HG 0.10 -0.05 -0.15 -0.04 1.64 1.50 2ok5A1 LEU 656 HD13 0.07 -0.01 -0.15 -0.04 0.93 0.80 2ok5A1 LEU 656 HD23 0.06 0.04 -0.01 -0.04 0.89 0.94 2ok5A1 CYS 657 H 0.06 0.22 0.14 -0.55 8.50 8.37 2ok5A1 CYS 657 HA -0.29 0.33 1.07 -0.75 4.58 4.94 2ok5A1 CYS 657 HB2 0.03 -0.02 -0.14 -0.04 2.97 2.80 2ok5A1 CYS 657 HB3 -0.05 -0.02 0.13 -0.04 2.97 2.99 2ok5A1 THR 658 H -0.21 0.59 0.37 -0.55 8.28 8.49 2ok5A1 THR 658 HA -0.01 0.37 0.90 -0.75 4.39 4.89 2ok5A1 THR 658 HB 0.06 -0.08 0.09 -0.04 4.32 4.35 2ok5A1 THR 658 HG23 -0.00 -0.01 -0.41 -0.04 1.22 0.75 2ok5A1 GLY 659 H 0.03 0.08 0.21 -0.55 8.43 8.20 2ok5A1 GLY 659 HA2 -0.01 0.09 0.38 -0.51 4.01 3.97 2ok5A1 GLY 659 HA3 -0.09 0.14 0.97 -0.51 4.01 4.52 2ok5A1 GLY 660 H -0.05 0.31 0.15 -0.55 8.43 8.29 2ok5A1 GLY 660 HA2 -0.06 0.11 0.38 -0.51 4.01 3.93 2ok5A1 GLY 660 HA3 -0.05 0.10 0.66 -0.51 4.01 4.20 2ok5A1 VAL 661 H -0.06 0.11 0.18 -0.55 8.24 7.92 2ok5A1 VAL 661 HA -0.05 0.19 0.61 -0.75 4.13 4.12 2ok5A1 VAL 661 HB -0.06 0.00 0.05 -0.04 2.12 2.07 2ok5A1 VAL 661 HG13 -0.06 -0.01 -0.08 -0.04 0.97 0.79 2ok5A1 VAL 661 HG23 -0.06 -0.01 -0.05 -0.04 0.95 0.79 2ok5A1 SER 662 H -0.08 0.21 -0.14 -0.55 8.46 7.90 2ok5A1 SER 662 HA -0.19 0.19 0.65 -0.75 4.49 4.39 2ok5A1 SER 662 HB2 -0.09 -0.01 -0.22 -0.04 3.95 3.60 2ok5A1 SER 662 HB3 -0.09 -0.02 0.02 -0.04 3.93 3.80 2ok5A1 PRO 663 HA -0.34 0.03 0.34 -0.51 4.44 3.96 2ok5A1 PRO 663 HB2 -1.44 0.09 -0.09 -0.04 2.28 0.79 2ok5A1 PRO 663 HB3 -0.51 -0.03 0.07 -0.04 2.02 1.51 2ok5A1 PRO 663 HG2 -1.29 0.07 -0.04 -0.04 2.03 0.73 2ok5A1 PRO 663 HG3 -0.55 -0.02 0.03 -0.04 2.03 1.45 2ok5A1 PRO 663 HD2 -0.28 0.16 0.15 -0.04 3.68 3.67 2ok5A1 PRO 663 HD3 -0.25 0.01 0.23 -0.04 3.65 3.60 2ok5A1 TYR 664 H -0.34 0.19 -0.29 -0.55 8.29 7.30 2ok5A1 TYR 664 HA -0.19 0.20 0.83 -0.75 4.56 4.64 2ok5A1 TYR 664 HB2 -0.22 -0.02 -0.25 -0.04 3.06 2.53 2ok5A1 TYR 664 HB3 -0.22 0.09 -0.02 -0.04 2.98 2.79 2ok5A1 TYR 664 HD2 -0.87 0.06 -0.25 -0.04 7.15 6.04 2ok5A1 TYR 664 HE2 -0.58 -0.02 -0.24 -0.04 6.85 5.97 2ok5A1 ALA 665 H -0.06 0.15 0.10 -0.55 8.40 8.04 2ok5A1 ALA 665 HA -0.03 0.07 0.66 -0.75 4.34 4.28 2ok5A1 ALA 665 HB3 -0.08 -0.00 0.11 -0.04 1.41 1.40 2ok5A1 ASP 666 H 0.02 0.66 0.28 -0.55 8.40 8.81 2ok5A1 ASP 666 HA 0.11 0.15 0.73 -0.75 4.63 4.87 2ok5A1 ASP 666 HB2 0.04 0.14 0.08 -0.04 2.71 2.93 2ok5A1 ASP 666 HB3 0.08 0.09 0.02 -0.04 2.70 2.85 2ok5A1 PRO 667 HA 0.08 0.08 0.69 -0.51 4.44 4.79 2ok5A1 PRO 667 HB2 0.15 0.02 -0.07 -0.04 2.28 2.33 2ok5A1 PRO 667 HB3 0.08 0.02 0.10 -0.04 2.02 2.18 2ok5A1 PRO 667 HG2 0.10 -0.02 -0.10 -0.04 2.03 1.96 2ok5A1 PRO 667 HG3 0.04 0.00 0.06 -0.04 2.03 2.10 2ok5A1 PRO 667 HD2 0.12 0.15 0.35 -0.04 3.68 4.26 2ok5A1 PRO 667 HD3 0.09 0.21 0.18 -0.04 3.65 4.09 2ok5A1 ASN 668 H 0.11 0.16 0.10 -0.55 8.53 8.35 2ok5A1 ASN 668 HA 0.05 0.18 0.79 -0.75 4.76 5.03 2ok5A1 ASN 668 HB2 0.02 -0.05 -0.08 -0.04 2.88 2.73 2ok5A1 ASN 668 HB3 -0.02 0.00 -0.03 -0.04 2.79 2.70 2ok5A1 ASN 668 HD21 -0.06 0.50 -0.08 -0.04 7.03 7.35 2ok5A1 ASN 668 HD22 -0.08 -0.12 -0.22 -0.04 7.74 7.28 2ok5A1 THR 669 H -0.14 0.11 0.02 -0.55 8.28 7.72 2ok5A1 THR 669 HA -0.02 0.10 0.40 -0.75 4.39 4.12 2ok5A1 THR 669 HB -0.18 0.07 -0.09 -0.04 4.32 4.09 2ok5A1 THR 669 HG23 -0.94 0.01 -0.14 -0.04 1.22 0.11 2ok5A1 CYS 670 H 0.10 0.14 0.15 -0.55 8.50 8.35 2ok5A1 CYS 670 HA 0.04 0.12 0.84 -0.75 4.58 4.82 2ok5A1 CYS 670 HB2 0.08 -0.00 0.12 -0.04 2.97 3.13 2ok5A1 CYS 670 HB3 0.05 -0.06 0.14 -0.04 2.97 3.06 2ok5A1 ARG 671 H 0.04 0.14 0.15 -0.55 8.46 8.24 2ok5A1 ARG 671 HA 0.04 0.10 0.43 -0.75 4.34 4.16 2ok5A1 ARG 671 HB2 0.03 -0.00 0.16 -0.04 1.90 2.05 2ok5A1 ARG 671 HB3 0.04 -0.05 0.14 -0.04 1.80 1.89 2ok5A1 ARG 671 HG2 0.03 0.01 0.01 -0.04 1.67 1.67 2ok5A1 ARG 671 HG3 0.04 0.11 -0.13 -0.04 1.67 1.65 2ok5A1 ARG 671 HD2 0.04 -0.05 0.07 -0.04 3.22 3.24 2ok5A1 ARG 671 HD3 0.04 0.03 0.03 -0.04 3.22 3.28 2ok5A1 GLY 672 H 0.05 -0.01 -0.25 -0.55 8.43 7.67 2ok5A1 GLY 672 HA2 0.06 0.27 0.42 -0.51 4.01 4.25 2ok5A1 GLY 672 HA3 0.06 -0.01 0.27 -0.51 4.01 3.82 2ok5A1 ASP 673 H 0.07 0.39 -0.30 -0.55 8.40 8.01 2ok5A1 ASP 673 HA 0.10 0.16 0.53 -0.75 4.63 4.67 2ok5A1 ASP 673 HB2 0.05 0.02 0.07 -0.04 2.71 2.80 2ok5A1 ASP 673 HB3 0.16 0.10 0.15 -0.04 2.70 3.06 2ok5A1 SER 674 H 0.07 0.26 -0.34 -0.55 8.46 7.91 2ok5A1 SER 674 HA 0.09 -0.03 0.29 -0.75 4.49 4.08 2ok5A1 SER 674 HB2 0.12 -0.00 0.10 -0.04 3.95 4.13 2ok5A1 SER 674 HB3 0.14 0.08 0.13 -0.04 3.93 4.24 2ok5A1 GLY 675 H 0.13 0.61 0.31 -0.55 8.43 8.94 2ok5A1 GLY 675 HA2 0.07 -0.04 0.49 -0.51 4.01 4.02 2ok5A1 GLY 675 HA3 0.01 0.08 0.82 -0.51 4.01 4.42 2ok5A1 GLY 676 H 0.10 0.32 -0.29 -0.55 8.43 8.02 2ok5A1 GLY 676 HA2 0.13 0.07 0.16 -0.51 4.01 3.86 2ok5A1 GLY 676 HA3 0.14 0.11 0.31 -0.51 4.01 4.06 2ok5A1 PRO 677 HA 0.06 0.24 0.76 -0.51 4.44 4.99 2ok5A1 PRO 677 HB2 -0.07 -0.02 -0.12 -0.04 2.28 2.03 2ok5A1 PRO 677 HB3 -0.01 0.04 0.07 -0.04 2.02 2.07 2ok5A1 PRO 677 HG2 0.23 -0.03 0.04 -0.04 2.03 2.22 2ok5A1 PRO 677 HG3 0.17 0.06 0.01 -0.04 2.03 2.23 2ok5A1 PRO 677 HD2 0.23 0.04 0.20 -0.04 3.68 4.12 2ok5A1 PRO 677 HD3 0.20 0.20 -0.03 -0.04 3.65 3.98 2ok5A1 LEU 678 H 0.02 0.68 0.19 -0.55 8.37 8.70 2ok5A1 LEU 678 HA 0.02 0.27 0.88 -0.75 4.35 4.76 2ok5A1 LEU 678 HB2 -0.29 -0.01 -0.16 -0.04 1.64 1.14 2ok5A1 LEU 678 HB3 -0.11 -0.14 -0.04 -0.04 1.64 1.31 2ok5A1 LEU 678 HG -0.12 0.02 -0.36 -0.04 1.64 1.15 2ok5A1 LEU 678 HD13 -0.23 0.04 -0.22 -0.04 0.93 0.48 2ok5A1 LEU 678 HD23 -0.40 -0.01 -0.26 -0.04 0.89 0.17 2ok5A1 ILE 679 H 0.01 0.72 0.32 -0.55 8.25 8.75 2ok5A1 ILE 679 HA -0.06 0.15 0.90 -0.75 4.18 4.42 2ok5A1 ILE 679 HB 0.02 -0.01 -0.05 -0.04 1.89 1.81 2ok5A1 ILE 679 HG12 -0.29 0.01 -0.33 -0.04 1.49 0.83 2ok5A1 ILE 679 HG13 -0.06 -0.10 -0.61 -0.04 1.21 0.39 2ok5A1 ILE 679 HG23 -0.02 -0.00 -0.38 -0.04 0.93 0.48 2ok5A1 ILE 679 HD13 -0.19 -0.00 -0.17 -0.04 0.88 0.47 2ok5A1 VAL 680 H -0.03 0.70 0.39 -0.55 8.24 8.75 2ok5A1 VAL 680 HA -0.01 0.14 1.04 -0.75 4.13 4.54 2ok5A1 VAL 680 HB -0.01 -0.03 0.15 -0.04 2.12 2.19 2ok5A1 VAL 680 HG13 -0.03 0.04 -0.08 -0.04 0.97 0.86 2ok5A1 VAL 680 HG23 -0.01 0.04 -0.03 -0.04 0.95 0.91 2ok5A1 HIS 681 H 0.04 0.22 0.08 -0.55 8.41 8.20 2ok5A1 HIS 681 HA -0.35 0.36 0.88 -0.75 4.63 4.77 2ok5A1 HIS 681 HB2 -0.06 -0.02 -0.07 -0.04 3.26 3.07 2ok5A1 HIS 681 HB3 -0.12 -0.04 0.14 -0.04 3.20 3.13 2ok5A1 HIS 681 HD2 -0.98 0.34 -0.33 -0.04 6.97 5.95 2ok5A1 HIS 681 HE1 -0.07 -0.07 -0.07 -0.04 7.75 7.50 2ok5A1 LYS 682 H -0.14 0.69 0.21 -0.55 8.42 8.63 2ok5A1 LYS 682 HA -0.21 0.04 0.89 -0.75 4.32 4.29 2ok5A1 LYS 682 HB2 -0.09 0.01 -0.25 -0.04 1.87 1.51 2ok5A1 LYS 682 HB3 -0.09 0.05 -0.05 -0.04 1.79 1.66 2ok5A1 LYS 682 HG2 -0.09 0.06 -0.14 -0.04 1.46 1.25 2ok5A1 LYS 682 HG3 -0.10 -0.11 0.08 -0.04 1.46 1.29 2ok5A1 LYS 682 HD2 -0.05 0.00 -0.10 -0.04 1.69 1.51 2ok5A1 LYS 682 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.55 2ok5A1 LYS 682 HE2 -0.06 -0.09 0.03 -0.04 2.99 2.83 2ok5A1 LYS 682 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2ok5A1 ARG 683 H -0.16 0.09 0.13 -0.55 8.46 7.97 2ok5A1 ARG 683 HA -0.09 -0.06 0.32 -0.75 4.34 3.75 2ok5A1 ARG 683 HB2 -0.14 0.34 0.05 -0.04 1.90 2.11 2ok5A1 ARG 683 HB3 -0.18 0.02 0.17 -0.04 1.80 1.77 2ok5A1 ARG 683 HG2 -0.10 -0.08 -0.13 -0.04 1.67 1.31 2ok5A1 ARG 683 HG3 -0.14 0.22 -0.06 -0.04 1.67 1.65 2ok5A1 ARG 683 HD2 -0.03 -0.03 0.06 -0.04 3.22 3.18 2ok5A1 ARG 683 HD3 -0.06 -0.09 0.04 -0.04 3.22 3.07 2ok5A1 SER 684 H -0.29 -0.02 -0.27 -0.55 8.46 7.33 2ok5A1 SER 684 HA -0.15 -0.10 0.22 -0.75 4.49 3.70 2ok5A1 SER 684 HB2 -0.00 0.27 -0.05 -0.04 3.95 4.12 2ok5A1 SER 684 HB3 0.02 0.04 0.19 -0.04 3.93 4.14 2ok5A1 ARG 685 H -0.16 0.34 -0.37 -0.55 8.46 7.71 2ok5A1 ARG 685 HA -0.03 0.34 1.06 -0.75 4.34 4.96 2ok5A1 ARG 685 HB2 -0.08 0.01 -0.05 -0.04 1.90 1.74 2ok5A1 ARG 685 HB3 -0.02 0.04 0.04 -0.04 1.80 1.82 2ok5A1 ARG 685 HG2 -0.05 -0.01 -0.43 -0.04 1.67 1.14 2ok5A1 ARG 685 HG3 -0.06 -0.01 -0.00 -0.04 1.67 1.56 2ok5A1 ARG 685 HD2 0.07 0.10 -0.00 -0.04 3.22 3.35 2ok5A1 ARG 685 HD3 0.04 -0.06 -0.12 -0.04 3.22 3.03 2ok5A1 PHE 686 H 0.13 0.64 0.32 -0.55 8.34 8.88 2ok5A1 PHE 686 HA -0.09 0.20 0.97 -0.75 4.62 4.94 2ok5A1 PHE 686 HB2 -0.42 -0.04 0.13 -0.04 3.15 2.78 2ok5A1 PHE 686 HB3 -0.62 -0.05 -0.09 -0.04 3.06 2.26 2ok5A1 PHE 686 HD2 -0.09 0.07 -0.19 -0.04 7.28 7.03 2ok5A1 PHE 686 HE2 -0.20 -0.01 -0.13 -0.04 7.38 7.00 2ok5A1 PHE 686 HZ -0.32 -0.04 -0.10 -0.04 7.32 6.81 2ok5A1 ILE 687 H -0.05 0.73 0.31 -0.55 8.25 8.69 2ok5A1 ILE 687 HA -0.10 0.17 0.91 -0.75 4.18 4.41 2ok5A1 ILE 687 HB -0.04 -0.02 0.06 -0.04 1.89 1.85 2ok5A1 ILE 687 HG12 -0.05 -0.06 -0.18 -0.04 1.49 1.15 2ok5A1 ILE 687 HG13 -0.06 0.05 -0.44 -0.04 1.21 0.72 2ok5A1 ILE 687 HG23 -0.05 -0.01 -0.36 -0.04 0.93 0.47 2ok5A1 ILE 687 HD13 -0.06 0.04 -0.19 -0.04 0.88 0.63 2ok5A1 GLN 688 H -0.14 0.72 0.22 -0.55 8.47 8.73 2ok5A1 GLN 688 HA -0.10 0.09 0.77 -0.75 4.36 4.36 2ok5A1 GLN 688 HB2 -0.18 -0.01 0.04 -0.04 2.15 1.95 2ok5A1 GLN 688 HB3 -0.09 0.06 0.15 -0.04 2.02 2.10 2ok5A1 GLN 688 HG2 -0.03 -0.11 -0.21 -0.04 2.40 2.02 2ok5A1 GLN 688 HG3 -0.05 0.04 0.11 -0.04 2.39 2.45 2ok5A1 GLN 688 HE21 0.06 0.03 -0.07 -0.04 6.97 6.95 2ok5A1 GLN 688 HE22 0.04 0.33 0.03 -0.04 7.69 8.05 2ok5A1 VAL 689 H -0.03 0.55 0.44 -0.55 8.24 8.66 2ok5A1 VAL 689 HA 0.01 0.12 0.87 -0.75 4.13 4.38 2ok5A1 VAL 689 HB 0.16 -0.08 0.07 -0.04 2.12 2.23 2ok5A1 VAL 689 HG13 0.10 0.03 -0.15 -0.04 0.97 0.91 2ok5A1 VAL 689 HG23 0.01 0.02 -0.17 -0.04 0.95 0.76 2ok5A1 GLY 690 H -0.00 0.36 0.24 -0.55 8.43 8.48 2ok5A1 GLY 690 HA2 0.06 0.31 0.92 -0.51 4.01 4.79 2ok5A1 GLY 690 HA3 0.03 -0.03 0.15 -0.51 4.01 3.64 2ok5A1 VAL 691 H 0.10 0.47 0.24 -0.55 8.24 8.50 2ok5A1 VAL 691 HA 0.10 0.32 0.84 -0.75 4.13 4.64 2ok5A1 VAL 691 HB 0.10 -0.12 0.10 -0.04 2.12 2.16 2ok5A1 VAL 691 HG13 0.11 0.11 -0.27 -0.04 0.97 0.88 2ok5A1 VAL 691 HG23 0.10 0.01 -0.17 -0.04 0.95 0.85 2ok5A1 ILE 692 H 0.14 0.78 0.02 -0.55 8.25 8.64 2ok5A1 ILE 692 HA 0.30 -0.01 0.34 -0.75 4.18 4.06 2ok5A1 ILE 692 HB 0.09 -0.04 0.15 -0.04 1.89 2.04 2ok5A1 ILE 692 HG12 0.12 -0.07 -0.18 -0.04 1.49 1.32 2ok5A1 ILE 692 HG13 0.12 0.07 -0.29 -0.04 1.21 1.08 2ok5A1 ILE 692 HG23 -0.04 -0.02 -0.28 -0.04 0.93 0.55 2ok5A1 ILE 692 HD13 0.00 -0.01 -0.14 -0.04 0.88 0.69 2ok5A1 SER 693 H -0.06 0.37 0.38 -0.55 8.46 8.61 2ok5A1 SER 693 HA 0.33 0.12 0.92 -0.75 4.49 5.10 2ok5A1 SER 693 HB2 0.30 -0.03 0.05 -0.04 3.95 4.23 2ok5A1 SER 693 HB3 0.31 0.15 0.16 -0.04 3.93 4.51 2ok5A1 TRP 694 H -0.28 0.49 0.39 -0.55 7.97 8.02 2ok5A1 TRP 694 HA -0.31 0.15 0.71 -0.75 4.62 4.42 2ok5A1 TRP 694 HB2 -0.54 0.04 0.11 -0.04 3.23 2.80 2ok5A1 TRP 694 HB3 -1.33 0.08 -0.13 -0.04 3.23 1.81 2ok5A1 TRP 694 HD1 -0.23 -0.05 -0.12 -0.04 7.22 6.77 2ok5A1 TRP 694 HE1 -1.27 -0.02 -0.08 -0.04 10.20 8.78 2ok5A1 TRP 694 HE3 -0.11 0.13 -0.21 -0.04 7.59 7.35 2ok5A1 TRP 694 HZ2 -1.06 0.04 -0.11 -0.04 7.44 6.27 2ok5A1 TRP 694 HZ3 0.06 0.06 -0.10 -0.04 7.13 7.11 2ok5A1 TRP 694 HH2 -0.45 0.00 -0.09 -0.04 7.19 6.61 2ok5A1 GLY 695 H 0.14 0.28 0.19 -0.55 8.43 8.49 2ok5A1 GLY 695 HA2 -0.21 0.20 1.05 -0.51 4.01 4.53 2ok5A1 GLY 695 HA3 -0.07 -0.00 0.25 -0.51 4.01 3.67 2ok5A1 VAL 696 H -0.02 0.59 0.30 -0.55 8.24 8.57 2ok5A1 VAL 696 HA 0.26 0.06 0.45 -0.75 4.13 4.15 2ok5A1 VAL 696 HB 0.12 -0.09 0.30 -0.04 2.12 2.40 2ok5A1 VAL 696 HG13 0.28 0.02 -0.14 -0.04 0.97 1.09 2ok5A1 VAL 696 HG23 0.23 0.03 -0.03 -0.04 0.95 1.14 2ok5A1 VAL 697 H 0.04 0.14 0.03 -0.55 8.24 7.91 2ok5A1 VAL 697 HA 0.06 0.19 0.77 -0.75 4.13 4.40 2ok5A1 VAL 697 HB 0.04 0.03 -0.17 -0.04 2.12 1.97 2ok5A1 VAL 697 HG13 0.13 0.04 -0.08 -0.04 0.97 1.01 2ok5A1 VAL 697 HG23 0.03 -0.02 -0.12 -0.04 0.95 0.80 2ok5A1 ASP 698 H 0.03 0.20 0.10 -0.55 8.40 8.19 2ok5A1 ASP 698 HA 0.01 0.07 0.78 -0.75 4.63 4.74 2ok5A1 ASP 698 HB2 0.02 0.06 0.12 -0.04 2.71 2.87 2ok5A1 ASP 698 HB3 0.02 0.05 0.20 -0.04 2.70 2.93 2ok5A1 VAL 699 H 0.01 0.19 0.17 -0.55 8.24 8.06 2ok5A1 VAL 699 HA 0.01 0.17 0.67 -0.75 4.13 4.22 2ok5A1 VAL 699 HB -0.01 0.03 -0.36 -0.04 2.12 1.74 2ok5A1 VAL 699 HG13 -0.02 0.05 -0.09 -0.04 0.97 0.88 2ok5A1 VAL 699 HG23 -0.02 -0.00 0.13 -0.04 0.95 1.01 2ok5A1 CYS 700 H 0.02 0.09 0.02 -0.55 8.50 8.08 2ok5A1 CYS 700 HA 0.04 0.15 0.10 -0.75 4.58 4.12 2ok5A1 CYS 700 HB2 0.03 -0.05 0.13 -0.04 2.97 3.05 2ok5A1 CYS 700 HB3 0.04 -0.01 0.08 -0.04 2.97 3.05 2ok5A1 LYS 701 H 0.03 0.11 -0.08 -0.55 8.42 7.92 2ok5A1 LYS 701 HA 0.03 0.16 0.55 -0.75 4.32 4.31 2ok5A1 LYS 701 HB2 0.03 -0.02 0.06 -0.04 1.87 1.89 2ok5A1 LYS 701 HB3 0.03 0.08 0.11 -0.04 1.79 1.96 2ok5A1 LYS 701 HG2 0.03 0.05 0.00 -0.04 1.46 1.50 2ok5A1 LYS 701 HG3 0.03 0.03 0.00 -0.04 1.46 1.48 2ok5A1 LYS 701 HD2 0.04 0.02 -0.20 -0.04 1.69 1.52 2ok5A1 LYS 701 HD3 0.04 -0.07 -0.03 -0.04 1.68 1.57 2ok5A1 LYS 701 HE2 0.04 0.05 -0.04 -0.04 2.99 3.00 2ok5A1 LYS 701 HE3 0.04 -0.00 -0.01 -0.04 2.99 2.98 2ok5A1 ASN 702 H 0.02 0.36 -0.58 -0.55 8.53 7.79 2ok5A1 ASN 702 HA 0.01 0.11 0.43 -0.75 4.76 4.57 2ok5A1 ASN 702 HB2 0.01 0.18 -0.03 -0.04 2.88 2.99 2ok5A1 ASN 702 HB3 0.01 -0.11 -0.08 -0.04 2.79 2.56 2ok5A1 ASN 702 HD21 -0.01 -0.01 0.05 -0.04 7.03 7.02 2ok5A1 ASN 702 HD22 -0.01 0.14 -0.05 -0.04 7.74 7.78 2ok5A1 GLN 703 H 0.03 0.23 -0.17 -0.55 8.47 8.01 2ok5A1 GLN 703 HA 0.04 0.09 0.43 -0.75 4.36 4.16 2ok5A1 GLN 703 HB2 0.04 0.17 0.20 -0.04 2.15 2.53 2ok5A1 GLN 703 HB3 0.03 -0.16 0.14 -0.04 2.02 1.99 2ok5A1 GLN 703 HG2 0.03 -0.02 -0.02 -0.04 2.40 2.35 2ok5A1 GLN 703 HG3 0.03 0.05 -0.22 -0.04 2.39 2.21 2ok5A1 GLN 703 HE21 0.07 0.03 -0.02 -0.04 6.97 7.02 2ok5A1 GLN 703 HE22 0.04 0.01 -0.09 -0.04 7.69 7.61 2ok5A1 LYS 704 H 0.03 0.12 -0.14 -0.55 8.42 7.88 2ok5A1 LYS 704 HA 0.03 0.19 0.54 -0.75 4.32 4.32 2ok5A1 LYS 704 HB2 0.02 -0.04 0.02 -0.04 1.87 1.83 2ok5A1 LYS 704 HB3 0.02 -0.00 0.09 -0.04 1.79 1.86 2ok5A1 LYS 704 HG2 0.02 -0.01 0.11 -0.04 1.46 1.54 2ok5A1 LYS 704 HG3 0.02 0.04 0.04 -0.04 1.46 1.52 2ok5A1 LYS 704 HD2 0.03 0.03 -0.02 -0.04 1.69 1.68 2ok5A1 LYS 704 HD3 0.02 0.01 -0.02 -0.04 1.68 1.64 2ok5A1 LYS 704 HE2 0.02 0.02 -0.01 -0.04 2.99 2.99 2ok5A1 LYS 704 HE3 0.02 -0.05 0.00 -0.04 2.99 2.93 2ok5A1 ARG 705 H 0.02 0.17 -0.73 -0.55 8.46 7.37 2ok5A1 ARG 705 HA 0.02 0.12 0.81 -0.75 4.34 4.54 2ok5A1 ARG 705 HB2 0.02 -0.03 -0.26 -0.04 1.90 1.59 2ok5A1 ARG 705 HB3 0.02 -0.01 0.01 -0.04 1.80 1.78 2ok5A1 ARG 705 HG2 0.01 0.11 -0.17 -0.04 1.67 1.58 2ok5A1 ARG 705 HG3 0.01 -0.03 0.01 -0.04 1.67 1.62 2ok5A1 ARG 705 HD2 0.01 -0.05 -0.19 -0.04 3.22 2.95 2ok5A1 ARG 705 HD3 0.01 -0.05 -0.08 -0.04 3.22 3.06 2ok5A1 GLN 706 H 0.02 0.44 0.03 -0.55 8.47 8.41 2ok5A1 GLN 706 HA 0.01 0.04 0.48 -0.75 4.36 4.14 2ok5A1 GLN 706 HB2 0.01 0.18 0.16 -0.04 2.15 2.46 2ok5A1 GLN 706 HB3 0.01 0.10 0.08 -0.04 2.02 2.17 2ok5A1 GLN 706 HG2 0.02 0.03 0.04 -0.04 2.40 2.45 2ok5A1 GLN 706 HG3 0.02 -0.06 -0.22 -0.04 2.39 2.08 2ok5A1 GLN 706 HE21 0.02 -0.05 -0.07 -0.04 6.97 6.83 2ok5A1 GLN 706 HE22 0.02 0.01 -0.22 -0.04 7.69 7.46 2ok5A1 LYS 707 H -0.00 0.06 -0.03 -0.55 8.42 7.90 2ok5A1 LYS 707 HA -0.01 -0.03 -0.13 -0.75 4.32 3.40 2ok5A1 LYS 707 HB2 0.01 0.25 0.17 -0.04 1.87 2.25 2ok5A1 LYS 707 HB3 0.01 0.03 0.27 -0.04 1.79 2.06 2ok5A1 LYS 707 HG2 -0.00 -0.16 -0.08 -0.04 1.46 1.19 2ok5A1 LYS 707 HG3 0.02 0.09 -0.11 -0.04 1.46 1.42 2ok5A1 LYS 707 HD2 0.03 0.06 -0.03 -0.04 1.69 1.71 2ok5A1 LYS 707 HD3 0.02 0.02 0.01 -0.04 1.68 1.68 2ok5A1 LYS 707 HE2 -0.01 -0.07 -0.66 -0.04 2.99 2.22 2ok5A1 LYS 707 HE3 -0.01 0.02 -0.09 -0.04 2.99 2.87 2ok5A1 GLN 708 H -0.02 0.12 0.06 -0.55 8.47 8.09 2ok5A1 GLN 708 HA -0.03 0.10 0.22 -0.75 4.36 3.90 2ok5A1 GLN 708 HB2 -0.01 -0.13 0.07 -0.04 2.15 2.04 2ok5A1 GLN 708 HB3 -0.02 0.06 0.20 -0.04 2.02 2.22 2ok5A1 GLN 708 HG2 -0.01 0.01 0.01 -0.04 2.40 2.37 2ok5A1 GLN 708 HG3 -0.01 0.03 0.02 -0.04 2.39 2.38 2ok5A1 GLN 708 HE21 -0.00 0.02 -0.03 -0.04 6.97 6.92 2ok5A1 GLN 708 HE22 -0.00 -0.02 -0.02 -0.04 7.69 7.61 2ok5A1 VAL 709 H -0.03 0.17 0.05 -0.55 8.24 7.88 2ok5A1 VAL 709 HA -0.05 0.21 0.85 -0.75 4.13 4.38 2ok5A1 VAL 709 HB -0.03 -0.02 0.10 -0.04 2.12 2.12 2ok5A1 VAL 709 HG13 -0.05 0.05 -0.11 -0.04 0.97 0.82 2ok5A1 VAL 709 HG23 -0.01 0.01 -0.02 -0.04 0.95 0.89 2ok5A1 PRO 710 HA -0.20 0.05 0.33 -0.51 4.44 4.11 2ok5A1 PRO 710 HB2 -0.94 -0.05 -0.11 -0.04 2.28 1.14 2ok5A1 PRO 710 HB3 -0.55 0.04 0.05 -0.04 2.02 1.52 2ok5A1 PRO 710 HG2 -0.19 0.07 -0.03 -0.04 2.03 1.85 2ok5A1 PRO 710 HG3 -0.14 0.08 -0.01 -0.04 2.03 1.92 2ok5A1 PRO 710 HD2 -0.13 0.08 0.09 -0.04 3.68 3.68 2ok5A1 PRO 710 HD3 -0.08 0.27 0.13 -0.04 3.65 3.93 2ok5A1 ALA 711 H -0.20 0.15 0.16 -0.55 8.40 7.97 2ok5A1 ALA 711 HA -0.10 0.11 0.43 -0.75 4.34 4.02 2ok5A1 ALA 711 HB3 -0.06 0.02 0.10 -0.04 1.41 1.43 2ok5A1 HIS 712 H -0.49 0.02 -0.29 -0.55 8.41 7.10 2ok5A1 HIS 712 HA -0.03 0.21 0.70 -0.75 4.63 4.75 2ok5A1 HIS 712 HB2 -0.00 0.09 0.21 -0.04 3.26 3.52 2ok5A1 HIS 712 HB3 -0.20 -0.01 0.06 -0.04 3.20 3.00 2ok5A1 HIS 712 HD2 -0.43 -0.03 0.00 -0.04 6.97 6.46 2ok5A1 HIS 712 HE1 -0.09 0.05 -0.07 -0.04 7.75 7.59 2ok5A1 ALA 713 H -0.15 0.35 -0.59 -0.55 8.40 7.46 2ok5A1 ALA 713 HA -0.02 0.07 0.74 -0.75 4.34 4.38 2ok5A1 ALA 713 HB3 -0.09 0.01 0.07 -0.04 1.41 1.35 2ok5A1 ARG 714 H -0.04 0.30 0.07 -0.55 8.46 8.23 2ok5A1 ARG 714 HA -0.21 0.25 0.98 -0.75 4.34 4.60 2ok5A1 ARG 714 HB2 -0.43 -0.06 -0.07 -0.04 1.90 1.29 2ok5A1 ARG 714 HB3 -0.54 0.12 0.05 -0.04 1.80 1.39 2ok5A1 ARG 714 HG2 -0.02 -0.06 -0.30 -0.04 1.67 1.25 2ok5A1 ARG 714 HG3 -0.05 0.17 -0.04 -0.04 1.67 1.71 2ok5A1 ARG 714 HD2 -0.14 0.09 -0.29 -0.04 3.22 2.85 2ok5A1 ARG 714 HD3 -0.09 -0.08 -0.59 -0.04 3.22 2.43 2ok5A1 ASP 715 H -0.40 0.63 0.25 -0.55 8.40 8.33 2ok5A1 ASP 715 HA -0.51 0.15 0.97 -0.75 4.63 4.48 2ok5A1 ASP 715 HB2 -0.21 -0.02 -0.00 -0.04 2.71 2.43 2ok5A1 ASP 715 HB3 -0.54 0.02 -0.07 -0.04 2.70 2.06 2ok5A1 PHE 716 H -0.74 0.86 0.41 -0.55 8.34 8.31 2ok5A1 PHE 716 HA -0.43 0.39 1.13 -0.75 4.62 4.96 2ok5A1 PHE 716 HB2 -2.14 -0.05 0.12 -0.04 3.15 1.04 2ok5A1 PHE 716 HB3 -0.77 -0.01 0.02 -0.04 3.06 2.27 2ok5A1 PHE 716 HD2 -1.18 0.03 -0.17 -0.04 7.28 5.91 2ok5A1 PHE 716 HE2 -0.29 -0.02 -0.18 -0.04 7.38 6.85 2ok5A1 PHE 716 HZ -0.12 0.10 -0.12 -0.04 7.32 7.13 2ok5A1 HIS 717 H 0.17 0.68 0.37 -0.55 8.41 9.09 2ok5A1 HIS 717 HA 0.11 0.17 1.01 -0.75 4.63 5.17 2ok5A1 HIS 717 HB2 0.04 -0.05 -0.16 -0.04 3.26 3.06 2ok5A1 HIS 717 HB3 0.04 0.02 -0.29 -0.04 3.20 2.93 2ok5A1 HIS 717 HD2 -0.09 0.06 -0.37 -0.04 6.97 6.53 2ok5A1 HIS 717 HE1 -0.29 0.00 -0.23 -0.04 7.75 7.20 2ok5A1 ILE 718 H 0.15 0.55 0.28 -0.55 8.25 8.69 2ok5A1 ILE 718 HA -0.21 0.20 0.75 -0.75 4.18 4.16 2ok5A1 ILE 718 HB 0.02 0.01 0.11 -0.04 1.89 1.99 2ok5A1 ILE 718 HG12 0.05 0.02 0.02 -0.04 1.49 1.55 2ok5A1 ILE 718 HG13 -0.03 -0.00 -0.09 -0.04 1.21 1.06 2ok5A1 ILE 718 HG23 -0.13 -0.01 -0.24 -0.04 0.93 0.51 2ok5A1 ILE 718 HD13 -0.68 0.05 -0.03 -0.04 0.88 0.18 2ok5A1 ASN 719 H -0.05 0.72 0.39 -0.55 8.53 9.04 2ok5A1 ASN 719 HA 0.09 0.20 0.68 -0.75 4.76 4.97 2ok5A1 ASN 719 HB2 0.06 0.06 -0.08 -0.04 2.88 2.88 2ok5A1 ASN 719 HB3 0.02 0.02 0.11 -0.04 2.79 2.90 2ok5A1 ASN 719 HD21 0.06 -0.00 -0.04 -0.04 7.03 7.01 2ok5A1 ASN 719 HD22 0.06 0.13 -0.08 -0.04 7.74 7.81 2ok5A1 LEU 720 H 0.07 0.67 0.22 -0.55 8.37 8.78 2ok5A1 LEU 720 HA 0.06 0.04 0.33 -0.75 4.35 4.03 2ok5A1 LEU 720 HB2 -0.08 0.08 -0.00 -0.04 1.64 1.59 2ok5A1 LEU 720 HB3 -0.02 -0.02 -0.02 -0.04 1.64 1.54 2ok5A1 LEU 720 HG 0.03 0.03 -0.33 -0.04 1.64 1.33 2ok5A1 LEU 720 HD13 0.00 0.06 -0.19 -0.04 0.93 0.77 2ok5A1 LEU 720 HD23 0.10 -0.01 -0.18 -0.04 0.89 0.76 2ok5A1 PHE 721 H 0.25 0.19 -0.16 -0.55 8.34 8.07 2ok5A1 PHE 721 HA 0.06 0.07 0.43 -0.75 4.62 4.43 2ok5A1 PHE 721 HB2 0.02 0.04 0.01 -0.04 3.15 3.18 2ok5A1 PHE 721 HB3 0.03 0.01 0.04 -0.04 3.06 3.11 2ok5A1 PHE 721 HD2 0.02 0.01 0.03 -0.04 7.28 7.30 2ok5A1 PHE 721 HE2 0.00 0.03 -0.02 -0.04 7.38 7.36 2ok5A1 PHE 721 HZ -0.01 0.03 -0.21 -0.04 7.32 7.09 2ok5A1 GLN 722 H 0.11 0.40 -0.62 -0.55 8.47 7.81 2ok5A1 GLN 722 HA 0.09 0.15 0.74 -0.75 4.36 4.59 2ok5A1 GLN 722 HB2 -0.04 0.24 0.12 -0.04 2.15 2.42 2ok5A1 GLN 722 HB3 -0.06 -0.10 0.09 -0.04 2.02 1.91 2ok5A1 GLN 722 HG2 0.06 -0.09 -0.09 -0.04 2.40 2.24 2ok5A1 GLN 722 HG3 -0.02 0.28 0.07 -0.04 2.39 2.68 2ok5A1 GLN 722 HE21 0.05 -0.03 -0.09 -0.04 6.97 6.87 2ok5A1 GLN 722 HE22 0.07 -0.04 -0.17 -0.04 7.69 7.51 2ok5A1 VAL 723 H 0.11 0.42 -0.21 -0.55 8.24 8.01 2ok5A1 VAL 723 HA 0.26 0.16 0.78 -0.75 4.13 4.58 2ok5A1 VAL 723 HB 0.41 -0.10 0.18 -0.04 2.12 2.56 2ok5A1 VAL 723 HG13 -0.04 0.01 -0.17 -0.04 0.97 0.72 2ok5A1 VAL 723 HG23 0.20 0.02 -0.05 -0.04 0.95 1.07 2ok5A1 LEU 724 H 0.13 0.24 -0.16 -0.55 8.37 8.03 2ok5A1 LEU 724 HA 0.07 0.05 0.38 -0.75 4.35 4.09 2ok5A1 LEU 724 HB2 0.09 0.14 0.09 -0.04 1.64 1.92 2ok5A1 LEU 724 HB3 0.07 -0.04 -0.01 -0.04 1.64 1.61 2ok5A1 LEU 724 HG 0.07 0.07 0.07 -0.04 1.64 1.81 2ok5A1 LEU 724 HD13 0.14 0.00 0.01 -0.04 0.93 1.04 2ok5A1 LEU 724 HD23 -0.00 -0.02 -0.17 -0.04 0.89 0.65 2ok5A1 PRO 725 HA -0.03 0.06 0.47 -0.51 4.44 4.44 2ok5A1 PRO 725 HB2 0.10 0.01 -0.03 -0.04 2.28 2.32 2ok5A1 PRO 725 HB3 0.04 0.02 0.02 -0.04 2.02 2.05 2ok5A1 PRO 725 HG2 0.10 0.04 0.02 -0.04 2.03 2.15 2ok5A1 PRO 725 HG3 0.07 0.21 0.02 -0.04 2.03 2.28 2ok5A1 PRO 725 HD2 0.18 0.04 -0.13 -0.04 3.68 3.73 2ok5A1 PRO 725 HD3 0.11 0.17 0.09 -0.04 3.65 3.98 2ok5A1 TRP 726 H 0.29 0.17 -0.27 -0.55 7.97 7.62 2ok5A1 TRP 726 HA -0.13 0.07 0.50 -0.75 4.62 4.31 2ok5A1 TRP 726 HB2 -0.22 -0.03 0.09 -0.04 3.23 3.03 2ok5A1 TRP 726 HB3 0.07 0.13 0.11 -0.04 3.23 3.51 2ok5A1 TRP 726 HD1 -0.24 -0.01 0.05 -0.04 7.22 6.98 2ok5A1 TRP 726 HE1 -0.09 0.10 -0.15 -0.04 10.20 10.02 2ok5A1 TRP 726 HE3 0.10 0.08 -0.07 -0.04 7.59 7.66 2ok5A1 TRP 726 HZ2 -0.02 0.11 -0.38 -0.04 7.44 7.12 2ok5A1 TRP 726 HZ3 0.05 0.02 -0.18 -0.04 7.13 6.97 2ok5A1 TRP 726 HH2 0.01 -0.08 -0.39 -0.04 7.19 6.68 2ok5A1 LEU 727 H 0.14 0.48 -0.04 -0.55 8.37 8.40 2ok5A1 LEU 727 HA -0.70 0.01 0.37 -0.75 4.35 3.27 2ok5A1 LEU 727 HB2 -0.11 0.06 0.12 -0.04 1.64 1.66 2ok5A1 LEU 727 HB3 -0.18 -0.00 -0.10 -0.04 1.64 1.31 2ok5A1 LEU 727 HG 0.32 0.07 -0.01 -0.04 1.64 1.97 2ok5A1 LEU 727 HD13 0.12 0.00 -0.10 -0.04 0.93 0.92 2ok5A1 LEU 727 HD23 -0.03 -0.01 -0.07 -0.04 0.89 0.73 2ok5A1 LYS 728 H -0.46 0.73 -0.12 -0.55 8.42 8.02 2ok5A1 LYS 728 HA -1.53 -0.00 0.28 -0.75 4.32 2.31 2ok5A1 LYS 728 HB2 -0.64 0.02 0.05 -0.04 1.87 1.26 2ok5A1 LYS 728 HB3 -0.31 0.05 0.09 -0.04 1.79 1.58 2ok5A1 LYS 728 HG2 -0.23 -0.00 -0.22 -0.04 1.46 0.97 2ok5A1 LYS 728 HG3 -0.30 -0.07 0.01 -0.04 1.46 1.06 2ok5A1 LYS 728 HD2 -0.02 0.07 -0.06 -0.04 1.69 1.63 2ok5A1 LYS 728 HD3 -0.08 -0.08 -0.05 -0.04 1.68 1.44 2ok5A1 LYS 728 HE2 -0.03 -0.05 -0.05 -0.04 2.99 2.82 2ok5A1 LYS 728 HE3 0.04 0.01 -0.06 -0.04 2.99 2.94 2ok5A1 GLU 729 H -0.33 0.39 -0.34 -0.55 8.60 7.77 2ok5A1 GLU 729 HA -0.20 0.03 0.47 -0.75 4.29 3.84 2ok5A1 GLU 729 HB2 -0.15 0.13 0.16 -0.04 2.09 2.19 2ok5A1 GLU 729 HB3 -0.24 0.07 0.13 -0.04 1.99 1.90 2ok5A1 GLU 729 HG2 -0.13 -0.02 -0.05 -0.04 2.34 2.10 2ok5A1 GLU 729 HG3 -0.09 -0.04 0.04 -0.04 2.34 2.20 2ok5A1 LYS 730 H -0.59 0.51 -0.07 -0.55 8.42 7.72 2ok5A1 LYS 730 HA -0.33 0.04 0.32 -0.75 4.32 3.59 2ok5A1 LYS 730 HB2 -0.94 0.05 0.09 -0.04 1.87 1.02 2ok5A1 LYS 730 HB3 -0.63 -0.05 -0.01 -0.04 1.79 1.05 2ok5A1 LYS 730 HG2 -1.07 0.21 0.06 -0.04 1.46 0.62 2ok5A1 LYS 730 HG3 -1.02 -0.05 -0.06 -0.04 1.46 0.29 2ok5A1 LYS 730 HD2 -0.15 -0.02 -0.02 -0.04 1.69 1.45 2ok5A1 LYS 730 HD3 -0.26 0.00 -0.06 -0.04 1.68 1.32 2ok5A1 LYS 730 HE2 -0.16 -0.02 -0.04 -0.04 2.99 2.73 2ok5A1 LYS 730 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 2ok5A1 LEU 731 H -0.51 0.59 -0.19 -0.55 8.37 7.71 2ok5A1 LEU 731 HA -0.44 0.10 0.64 -0.75 4.35 3.89 2ok5A1 LEU 731 HB2 -0.17 0.12 0.01 -0.04 1.64 1.56 2ok5A1 LEU 731 HB3 -0.06 -0.10 0.12 -0.04 1.64 1.56 2ok5A1 LEU 731 HG -0.56 0.04 -0.03 -0.04 1.64 1.06 2ok5A1 LEU 731 HD13 -0.03 -0.00 -0.09 -0.04 0.93 0.77 2ok5A1 LEU 731 HD23 -0.82 -0.00 -0.17 -0.04 0.89 -0.14 2ok5A1 GLN 732 H -0.21 0.42 -0.60 -0.55 8.47 7.53 2ok5A1 GLN 732 HA -0.05 0.02 0.34 -0.75 4.36 3.91 2ok5A1 GLN 732 HB2 -0.06 -0.10 0.12 -0.04 2.15 2.07 2ok5A1 GLN 732 HB3 -0.14 0.21 0.22 -0.04 2.02 2.27 2ok5A1 GLN 732 HG2 -0.11 0.25 0.09 -0.04 2.40 2.58 2ok5A1 GLN 732 HG3 -0.06 -0.09 -0.13 -0.04 2.39 2.07 2ok5A1 GLN 732 HE21 -0.07 -0.10 0.04 -0.04 6.97 6.79 2ok5A1 GLN 732 HE22 -0.12 0.10 0.19 -0.04 7.69 7.82 2ok5A1 ASP 733 H -0.04 0.19 -0.28 -0.55 8.40 7.72 2ok5A1 ASP 733 HA 0.01 0.19 0.88 -0.75 4.63 4.95 2ok5A1 ASP 733 HB2 0.00 0.04 0.03 -0.04 2.71 2.74 2ok5A1 ASP 733 HB3 0.00 0.00 0.16 -0.04 2.70 2.82 2ok5A1 GLU 734 H 0.03 0.47 -0.26 -0.55 8.60 8.30 2ok5A1 GLU 734 HA 0.12 0.15 0.57 -0.75 4.29 4.37 2ok5A1 GLU 734 HB2 0.07 0.18 0.12 -0.04 2.09 2.42 2ok5A1 GLU 734 HB3 0.14 -0.03 0.17 -0.04 1.99 2.23 2ok5A1 GLU 734 HG2 0.09 -0.03 -0.07 -0.04 2.34 2.29 2ok5A1 GLU 734 HG3 0.19 -0.02 -0.02 -0.04 2.34 2.45 2ok5A1 ASP 735 H 0.05 0.12 -0.37 -0.55 8.40 7.66 2ok5A1 ASP 735 HA 0.04 -0.02 0.27 -0.75 4.63 4.17 2ok5A1 ASP 735 HB2 0.04 0.02 -0.14 -0.04 2.71 2.60 2ok5A1 ASP 735 HB3 0.05 0.15 0.06 -0.04 2.70 2.92 2ok5A1 LEU 736 H 0.07 0.07 -0.11 -0.55 8.37 7.86 2ok5A1 LEU 736 HA -0.03 0.26 0.67 -0.75 4.35 4.50 2ok5A1 LEU 736 HB2 -0.04 -0.04 -0.02 -0.04 1.64 1.51 2ok5A1 LEU 736 HB3 -0.23 -0.03 0.07 -0.04 1.64 1.41 2ok5A1 LEU 736 HG 0.07 -0.08 -0.15 -0.04 1.64 1.44 2ok5A1 LEU 736 HD13 0.08 -0.00 -0.01 -0.04 0.93 0.95 2ok5A1 LEU 736 HD23 0.03 0.03 -0.00 -0.04 0.89 0.92 2ok5A1 GLY 737 H 0.03 0.04 -0.07 -0.55 8.43 7.89 2ok5A1 GLY 737 HA2 0.02 0.09 0.30 -0.51 4.01 3.90 2ok5A1 GLY 737 HA3 -0.04 0.04 0.40 -0.51 4.01 3.90 2ok5A1 PHE 738 H 0.21 0.01 0.00 -0.55 8.34 8.00 2ok5A1 PHE 738 HA -0.04 0.17 0.62 -0.75 4.62 4.62 2ok5A1 PHE 738 HB2 -0.04 -0.06 0.11 -0.04 3.15 3.11 2ok5A1 PHE 738 HB3 -0.04 0.11 0.00 -0.04 3.06 3.10 2ok5A1 PHE 738 HD2 -0.06 -0.01 -0.02 -0.04 7.28 7.15 2ok5A1 PHE 738 HE2 -0.10 0.03 -0.11 -0.04 7.38 7.15 2ok5A1 PHE 738 HZ -0.11 -0.02 -0.16 -0.04 7.32 6.98 2ok5A1 LEU 739 H 0.12 0.52 0.15 -0.55 8.37 8.61 2ok5A1 LEU 739 HA 0.05 0.16 0.57 -0.75 4.35 4.37 2ok5A1 LEU 739 HB2 0.06 -0.00 0.06 -0.04 1.64 1.71 2ok5A1 LEU 739 HB3 0.04 -0.11 0.17 -0.04 1.64 1.69 2ok5A1 LEU 739 HG -0.02 -0.00 -0.45 -0.04 1.64 1.13 2ok5A1 LEU 739 HD13 0.01 0.00 -0.22 -0.04 0.93 0.68 2ok5A1 LEU 739 HD23 -0.00 0.05 -0.19 -0.04 0.89 0.70 2ok5A1 ALA 740 H 0.05 0.07 0.14 -0.55 8.40 8.12 2ok5A1 ALA 740 HA 0.04 0.10 0.65 -0.75 4.34 4.38 2ok5A1 ALA 740 HB3 0.04 -0.00 0.13 -0.04 1.41 1.53 2ok5A1 ALA 741 H 0.04 0.15 0.12 -0.55 8.40 8.16 2ok5A1 ALA 741 HA 0.08 0.18 0.64 -0.75 4.34 4.49 2ok5A1 ALA 741 HB3 0.02 -0.00 -0.13 -0.04 1.41 1.25 2ok5A1 ALA 742 H 0.04 0.05 -0.21 -0.55 8.40 7.75 2ok5A1 ALA 742 HA 0.05 0.25 0.50 -0.75 4.34 4.39 2ok5A1 ALA 742 HB3 0.03 0.03 -0.02 -0.04 1.41 1.41