============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 80 rings ring int. center anis. iso. TRP 5 1.040 40.405 28.602 -11.178 -99.200 -91.000 TRP6 5 1.020 41.439 26.987 -12.555 -99.200 -91.000 TRP 14 1.040 11.851 28.116 -2.894 -99.200 -91.000 TRP6 14 1.020 11.671 25.764 -3.018 -99.200 -91.000 TYR 27 0.840 32.378 30.840 -4.229 -99.200 -91.000 TYR 38 0.840 39.254 18.694 -15.017 -99.200 -91.000 HIS 46 0.900 25.703 28.303 5.997 -99.200 -91.000 PHE 50 1.000 34.068 25.296 -1.888 -99.200 -91.000 HIS 51 0.900 30.301 23.571 4.510 -99.200 -91.000 TRP 54 1.040 38.145 11.777 -0.744 -99.200 -91.000 TRP6 54 1.020 39.956 13.004 0.148 -99.200 -91.000 HIS 55 0.900 34.535 9.741 -5.730 -99.200 -91.000 TYR 72 0.840 39.670 22.623 10.379 -99.200 -91.000 TRP 73 1.040 35.944 16.188 9.260 -99.200 -91.000 TRP6 73 1.020 34.116 15.761 7.822 -99.200 -91.000 TYR 83 0.840 39.247 22.072 0.315 -99.200 -91.000 TRP 87 1.040 29.100 18.859 6.694 -99.200 -91.000 TRP6 87 1.020 29.736 18.701 4.423 -99.200 -91.000 TRP 93 1.040 13.405 15.865 1.622 -99.200 -91.000 TRP6 93 1.020 13.162 13.539 1.277 -99.200 -91.000 PHE 120 1.000 19.032 5.576 -3.652 -99.200 -91.000 HIS 124 0.900 25.194 2.472 9.758 -99.200 -91.000 TYR 134 0.840 21.283 18.079 -13.981 -99.200 -91.000 TYR 154 0.840 23.527 15.510 -8.876 -99.200 -91.000 TYR 165 0.840 23.498 9.358 -12.469 -99.200 -91.000 TYR 176 0.840 10.396 -11.451 17.654 -99.200 -91.000 HIS 192 0.900 8.012 1.899 15.604 -99.200 -91.000 TYR 240 0.840 -6.868 -15.811 26.130 -99.200 -91.000 HIS 246 0.900 -7.285 -24.508 32.558 -99.200 -91.000 HIS 257 0.900 1.720 -4.338 33.168 -99.200 -91.000 HIS 262 0.900 -2.648 -8.207 43.441 -99.200 -91.000 TYR 273 0.840 4.707 -17.969 33.952 -99.200 -91.000 PHE 276 1.000 8.803 -13.577 33.609 -99.200 -91.000 HIS 282 0.900 3.760 3.531 29.210 -99.200 -91.000 PHE 283 1.000 -0.482 0.755 34.698 -99.200 -91.000 TYR 294 0.840 9.578 -13.089 39.500 -99.200 -91.000 PHE 308 1.000 10.574 -5.419 30.972 -99.200 -91.000 PHE 320 1.000 7.920 17.995 22.403 -99.200 -91.000 HIS 328 0.900 1.082 20.782 11.793 -99.200 -91.000 TRP 339 1.040 -13.916 27.944 27.958 -99.200 -91.000 TRP6 339 1.020 -13.496 25.617 28.043 -99.200 -91.000 PHE 343 1.000 -9.293 29.330 27.366 -99.200 -91.000 TRP 345 1.040 -7.564 27.436 21.352 -99.200 -91.000 TRP6 345 1.020 -6.660 25.318 21.885 -99.200 -91.000 TYR 349 0.840 -9.799 19.821 15.699 -99.200 -91.000 TRP 355 1.040 -8.714 19.108 28.128 -99.200 -91.000 TRP6 355 1.020 -9.974 21.032 27.571 -99.200 -91.000 PHE 356 1.000 -4.175 12.207 27.663 -99.200 -91.000 TYR 385 0.840 -9.523 2.199 29.832 -99.200 -91.000 TYR 389 0.840 -10.562 2.254 25.370 -99.200 -91.000 TRP 397 1.040 -15.984 9.383 20.637 -99.200 -91.000 TRP6 397 1.020 -13.848 10.386 20.507 -99.200 -91.000 PHE 399 1.000 -13.868 18.835 22.654 -99.200 -91.000 PHE 412 1.000 -8.355 7.839 23.296 -99.200 -91.000 TYR 467 0.840 1.187 17.004 22.759 -99.200 -91.000 HIS 468 0.900 -3.445 23.085 20.090 -99.200 -91.000 TYR 469 0.840 3.934 21.951 23.968 -99.200 -91.000 HIS 482 0.900 4.583 5.966 41.012 -99.200 -91.000 TRP 483 1.040 8.746 6.601 42.379 -99.200 -91.000 TRP6 483 1.020 9.314 5.430 40.406 -99.200 -91.000 HIS 494 0.900 8.748 -15.044 50.711 -99.200 -91.000 TYR 504 0.840 14.353 -2.398 33.440 -99.200 -91.000 TYR 512 0.840 19.191 3.871 45.256 -99.200 -91.000 TYR 518 0.840 9.404 -0.735 52.784 -99.200 -91.000 PHE 528 1.000 1.025 -5.924 52.294 -99.200 -91.000 TRP 540 1.040 2.395 4.776 53.364 -99.200 -91.000 TRP6 540 1.020 0.900 5.817 54.870 -99.200 -91.000 TYR 543 0.840 5.198 -2.024 55.650 -99.200 -91.000 TYR 552 0.840 -9.272 -8.616 56.855 -99.200 -91.000 TRP 557 1.040 -6.668 -0.004 61.900 -99.200 -91.000 TRP6 557 1.020 -6.828 1.538 60.115 -99.200 -91.000 PHE 559 1.000 -14.007 4.063 64.605 -99.200 -91.000 TRP 579 1.040 -0.129 4.586 60.797 -99.200 -91.000 TRP6 579 1.020 -1.153 2.591 61.550 -99.200 -91.000 TYR 585 0.840 -8.266 11.707 53.935 -99.200 -91.000 HIS 588 0.900 -20.904 10.130 49.046 -99.200 -91.000 TRP 593 1.040 -14.961 -0.855 50.276 -99.200 -91.000 TRP6 593 1.020 -16.492 -1.969 48.858 -99.200 -91.000 PHE 594 1.000 -10.859 4.332 56.308 -99.200 -91.000 PHE 597 1.000 -11.072 -2.055 56.830 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2wv9A1 ALA -53 HA -0.02 -0.10 0.14 -0.75 4.34 3.61 2wv9A1 ALA -53 HB3 -0.02 -0.02 0.03 -0.04 1.41 1.36 2wv9A1 THR -52 H 0.02 -0.02 0.12 -0.55 8.28 7.85 2wv9A1 THR -52 HA 0.05 0.19 0.74 -0.75 4.39 4.62 2wv9A1 THR -52 HB 0.03 -0.08 0.13 -0.04 4.32 4.36 2wv9A1 THR -52 HG23 0.03 0.00 0.00 -0.04 1.22 1.21 2wv9A1 ASP -51 H 0.04 -0.07 0.08 -0.55 8.40 7.91 2wv9A1 ASP -51 HA 0.04 0.14 0.72 -0.75 4.63 4.77 2wv9A1 ASP -51 HB2 0.03 0.31 0.22 -0.04 2.71 3.22 2wv9A1 ASP -51 HB3 0.03 -0.09 0.14 -0.04 2.70 2.74 2wv9A1 MET -50 H 0.00 0.27 0.25 -0.55 8.47 8.44 2wv9A1 MET -50 HA 0.12 0.20 0.42 -0.75 4.52 4.50 2wv9A1 MET -50 HB2 -0.14 -0.04 0.01 -0.04 2.15 1.93 2wv9A1 MET -50 HB3 -0.28 0.09 0.07 -0.04 2.03 1.87 2wv9A1 MET -50 HG2 -0.20 -0.02 -0.08 -0.04 2.63 2.28 2wv9A1 MET -50 HG3 -0.07 -0.08 0.05 -0.04 2.56 2.43 2wv9A1 MET -50 HE3 -0.06 0.05 0.03 -0.04 2.10 2.08 2wv9A1 TRP -49 H -0.42 0.53 0.35 -0.55 7.97 7.89 2wv9A1 TRP -49 HA -0.15 0.25 0.75 -0.75 4.62 4.71 2wv9A1 TRP -49 HB2 -0.09 0.04 0.15 -0.04 3.23 3.29 2wv9A1 TRP -49 HB3 -0.08 0.02 -0.10 -0.04 3.23 3.03 2wv9A1 TRP -49 HD1 -0.05 0.12 -0.20 -0.04 7.22 7.04 2wv9A1 TRP -49 HE1 -0.03 -0.05 -0.13 -0.04 10.20 9.94 2wv9A1 TRP -49 HE3 -0.08 0.01 -0.09 -0.04 7.59 7.39 2wv9A1 TRP -49 HZ2 -0.05 -0.06 -0.09 -0.04 7.44 7.20 2wv9A1 TRP -49 HZ3 -0.08 0.04 -0.29 -0.04 7.13 6.76 2wv9A1 TRP -49 HH2 -0.07 0.00 -0.19 -0.04 7.19 6.90 2wv9A1 LEU -48 H 0.10 0.30 0.20 -0.55 8.37 8.42 2wv9A1 LEU -48 HA -0.18 0.40 1.05 -0.75 4.35 4.86 2wv9A1 LEU -48 HB2 -0.22 -0.05 0.06 -0.04 1.64 1.39 2wv9A1 LEU -48 HB3 -0.16 -0.05 -0.10 -0.04 1.64 1.28 2wv9A1 LEU -48 HG -0.48 -0.00 -0.31 -0.04 1.64 0.81 2wv9A1 LEU -48 HD13 -1.03 -0.02 -0.17 -0.04 0.93 -0.33 2wv9A1 LEU -48 HD23 -0.44 0.02 -0.24 -0.04 0.89 0.18 2wv9A1 GLU -47 H 0.06 0.48 0.25 -0.55 8.60 8.84 2wv9A1 GLU -47 HA 0.17 0.10 0.75 -0.75 4.29 4.57 2wv9A1 GLU -47 HB2 0.02 -0.04 0.07 -0.04 2.09 2.10 2wv9A1 GLU -47 HB3 0.07 0.05 -0.02 -0.04 1.99 2.05 2wv9A1 GLU -47 HG2 0.24 0.19 -0.03 -0.04 2.34 2.70 2wv9A1 GLU -47 HG3 0.18 -0.01 -0.29 -0.04 2.34 2.18 2wv9A1 ARG -46 H 0.13 0.14 0.10 -0.55 8.46 8.29 2wv9A1 ARG -46 HA -0.45 0.18 0.59 -0.75 4.34 3.90 2wv9A1 ARG -46 HB2 -0.11 -0.01 0.08 -0.04 1.90 1.81 2wv9A1 ARG -46 HB3 -0.06 -0.03 0.11 -0.04 1.80 1.78 2wv9A1 ARG -46 HG2 -0.19 -0.05 -0.27 -0.04 1.67 1.13 2wv9A1 ARG -46 HG3 -0.56 0.16 0.02 -0.04 1.67 1.24 2wv9A1 ARG -46 HD2 -0.11 0.01 -0.09 -0.04 3.22 3.00 2wv9A1 ARG -46 HD3 -0.06 -0.04 -0.07 -0.04 3.22 3.01 2wv9A1 ALA -45 H -0.19 0.46 0.36 -0.55 8.40 8.49 2wv9A1 ALA -45 HA -0.05 0.16 0.92 -0.75 4.34 4.61 2wv9A1 ALA -45 HB3 -0.05 -0.01 0.02 -0.04 1.41 1.32 2wv9A1 ALA -44 H -0.14 0.29 0.29 -0.55 8.40 8.29 2wv9A1 ALA -44 HA -0.07 0.12 0.62 -0.75 4.34 4.25 2wv9A1 ALA -44 HB3 -0.06 0.01 -0.04 -0.04 1.41 1.28 2wv9A1 ASP -43 H -0.05 0.10 0.14 -0.55 8.40 8.05 2wv9A1 ASP -43 HA -0.04 0.16 0.85 -0.75 4.63 4.85 2wv9A1 ASP -43 HB2 -0.01 -0.01 -0.02 -0.04 2.71 2.62 2wv9A1 ASP -43 HB3 -0.01 0.03 0.11 -0.04 2.70 2.79 2wv9A1 VAL -42 H 0.01 0.22 0.09 -0.55 8.24 8.01 2wv9A1 VAL -42 HA -0.00 0.17 0.85 -0.75 4.13 4.39 2wv9A1 VAL -42 HB 0.03 0.01 0.19 -0.04 2.12 2.30 2wv9A1 VAL -42 HG13 -0.01 0.03 -0.08 -0.04 0.97 0.86 2wv9A1 VAL -42 HG23 0.01 -0.00 -0.09 -0.04 0.95 0.83 2wv9A1 SER -41 H 0.01 0.34 0.02 -0.55 8.46 8.29 2wv9A1 SER -41 HA 0.08 0.13 0.62 -0.75 4.49 4.57 2wv9A1 SER -41 HB2 0.02 -0.08 -0.20 -0.04 3.95 3.64 2wv9A1 SER -41 HB3 0.07 0.14 -0.07 -0.04 3.93 4.02 2wv9A1 TRP -40 H 0.26 0.15 0.07 -0.55 7.97 7.90 2wv9A1 TRP -40 HA -0.01 0.10 0.70 -0.75 4.62 4.65 2wv9A1 TRP -40 HB2 -0.00 0.18 0.07 -0.04 3.23 3.44 2wv9A1 TRP -40 HB3 -0.00 0.02 0.08 -0.04 3.23 3.29 2wv9A1 TRP -40 HD1 0.00 -0.07 -0.33 -0.04 7.22 6.77 2wv9A1 TRP -40 HE1 0.01 -0.07 -0.15 -0.04 10.20 9.94 2wv9A1 TRP -40 HE3 0.01 0.20 -0.28 -0.04 7.59 7.48 2wv9A1 TRP -40 HZ2 0.01 -0.04 -0.07 -0.04 7.44 7.31 2wv9A1 TRP -40 HZ3 0.02 -0.07 -0.19 -0.04 7.13 6.85 2wv9A1 TRP -40 HH2 0.03 0.01 -0.23 -0.04 7.19 6.96 2wv9A1 GLU -39 H -0.68 0.22 0.06 -0.55 8.60 7.66 2wv9A1 GLU -39 HA -0.07 0.15 0.87 -0.75 4.29 4.49 2wv9A1 GLU -39 HB2 -0.15 0.02 -0.20 -0.04 2.09 1.72 2wv9A1 GLU -39 HB3 -0.21 0.02 -0.16 -0.04 1.99 1.60 2wv9A1 GLU -39 HG2 -0.08 -0.07 -0.09 -0.04 2.34 2.06 2wv9A1 GLU -39 HG3 -0.06 -0.02 0.02 -0.04 2.34 2.23 2wv9A1 ALA -38 H -0.04 0.10 0.09 -0.55 8.40 8.01 2wv9A1 ALA -38 HA -0.02 0.08 0.44 -0.75 4.34 4.08 2wv9A1 ALA -38 HB3 0.04 0.00 0.06 -0.04 1.41 1.48 2wv9A1 GLY -37 H -0.04 0.12 0.16 -0.55 8.43 8.12 2wv9A1 GLY -37 HA2 -0.03 -0.00 0.30 -0.51 4.01 3.77 2wv9A1 GLY -37 HA3 -0.06 0.15 0.73 -0.51 4.01 4.32 2wv9A1 ALA -36 H -0.05 0.08 0.16 -0.55 8.40 8.04 2wv9A1 ALA -36 HA -0.08 0.14 0.74 -0.75 4.34 4.39 2wv9A1 ALA -36 HB3 -0.03 0.01 0.12 -0.04 1.41 1.47 2wv9A1 ALA -35 H -0.05 0.09 0.11 -0.55 8.40 8.00 2wv9A1 ALA -35 HA -0.07 0.50 0.81 -0.75 4.34 4.82 2wv9A1 ALA -35 HB3 -0.03 -0.00 0.00 -0.04 1.41 1.34 2wv9A1 ILE -34 H -0.08 0.28 0.20 -0.55 8.25 8.10 2wv9A1 ILE -34 HA -0.05 0.17 0.90 -0.75 4.18 4.45 2wv9A1 ILE -34 HB -0.08 0.15 -0.18 -0.04 1.89 1.74 2wv9A1 ILE -34 HG12 -0.05 -0.04 -0.07 -0.04 1.49 1.29 2wv9A1 ILE -34 HG13 -0.04 -0.05 0.12 -0.04 1.21 1.21 2wv9A1 ILE -34 HG23 -0.10 0.00 -0.09 -0.04 0.93 0.71 2wv9A1 ILE -34 HD13 -0.04 0.03 -0.01 -0.04 0.88 0.81 2wv9A1 THR -33 H -0.03 0.26 0.07 -0.55 8.28 8.02 2wv9A1 THR -33 HA -0.03 0.02 0.19 -0.75 4.39 3.82 2wv9A1 THR -33 HB -0.03 -0.06 0.01 -0.04 4.32 4.20 2wv9A1 THR -33 HG23 -0.04 0.08 -0.11 -0.04 1.22 1.10 2wv9A1 THR 18 HA -0.02 -0.07 0.13 -0.75 4.39 3.68 2wv9A1 THR 18 HB 0.01 -0.04 -0.07 -0.04 4.32 4.18 2wv9A1 THR 18 HG23 -0.03 0.02 -0.01 -0.04 1.22 1.16 2wv9A1 THR 19 H 0.09 0.06 0.04 -0.55 8.28 7.92 2wv9A1 THR 19 HA 0.07 0.08 0.45 -0.75 4.39 4.24 2wv9A1 THR 19 HB 0.17 -0.04 0.02 -0.04 4.32 4.43 2wv9A1 THR 19 HG23 0.06 0.02 -0.02 -0.04 1.22 1.24 2wv9A1 PRO 20 HA 0.16 0.11 0.43 -0.51 4.44 4.63 2wv9A1 PRO 20 HB2 0.06 -0.03 0.14 -0.04 2.28 2.41 2wv9A1 PRO 20 HB3 0.07 -0.00 0.18 -0.04 2.02 2.22 2wv9A1 PRO 20 HG2 0.02 -0.00 0.14 -0.04 2.03 2.15 2wv9A1 PRO 20 HG3 0.02 0.02 0.13 -0.04 2.03 2.16 2wv9A1 PRO 20 HD2 0.05 0.05 0.22 -0.04 3.68 3.96 2wv9A1 PRO 20 HD3 0.05 0.14 0.28 -0.04 3.65 4.08 2wv9A1 GLY 21 H 0.20 0.30 0.42 -0.55 8.43 8.81 2wv9A1 GLY 21 HA2 0.02 -0.09 0.37 -0.51 4.01 3.79 2wv9A1 GLY 21 HA3 -0.06 0.14 0.69 -0.51 4.01 4.27 2wv9A1 VAL 22 H -0.15 0.71 0.38 -0.55 8.24 8.63 2wv9A1 VAL 22 HA 0.04 0.25 0.90 -0.75 4.13 4.56 2wv9A1 VAL 22 HB -0.09 -0.23 0.15 -0.04 2.12 1.90 2wv9A1 VAL 22 HG13 -0.02 0.03 0.02 -0.04 0.97 0.95 2wv9A1 VAL 22 HG23 -0.04 0.00 -0.18 -0.04 0.95 0.69 2wv9A1 TYR 23 H 0.24 0.82 0.45 -0.55 8.29 9.25 2wv9A1 TYR 23 HA 0.05 0.09 0.96 -0.75 4.56 4.91 2wv9A1 TYR 23 HB2 0.45 0.01 -0.07 -0.04 3.06 3.40 2wv9A1 TYR 23 HB3 0.05 0.02 -0.14 -0.04 2.98 2.87 2wv9A1 TYR 23 HD2 0.15 -0.03 -0.30 -0.04 7.15 6.92 2wv9A1 TYR 23 HE2 0.07 0.02 -0.10 -0.04 6.85 6.80 2wv9A1 ARG 24 H 0.07 0.78 0.34 -0.55 8.46 9.10 2wv9A1 ARG 24 HA 0.02 0.18 0.83 -0.75 4.34 4.62 2wv9A1 ARG 24 HB2 -0.04 -0.05 0.16 -0.04 1.90 1.92 2wv9A1 ARG 24 HB3 -0.08 0.01 -0.02 -0.04 1.80 1.66 2wv9A1 ARG 24 HG2 -0.02 0.05 -0.03 -0.04 1.67 1.62 2wv9A1 ARG 24 HG3 -0.01 0.01 0.02 -0.04 1.67 1.65 2wv9A1 ARG 24 HD2 -0.02 -0.02 -0.06 -0.04 3.22 3.08 2wv9A1 ARG 24 HD3 -0.03 -0.04 -0.09 -0.04 3.22 3.01 2wv9A1 ILE 25 H -0.04 0.92 0.36 -0.55 8.25 8.94 2wv9A1 ILE 25 HA -0.24 0.23 0.91 -0.75 4.18 4.33 2wv9A1 ILE 25 HB -0.04 -0.07 0.03 -0.04 1.89 1.76 2wv9A1 ILE 25 HG12 -0.00 0.00 -0.29 -0.04 1.49 1.16 2wv9A1 ILE 25 HG13 0.17 0.03 -0.44 -0.04 1.21 0.94 2wv9A1 ILE 25 HG23 -0.17 -0.01 -0.23 -0.04 0.93 0.48 2wv9A1 ILE 25 HD13 0.28 -0.01 -0.35 -0.04 0.88 0.76 2wv9A1 MET 26 H -0.70 0.67 0.28 -0.55 8.47 8.17 2wv9A1 MET 26 HA -0.61 0.12 0.99 -0.75 4.52 4.26 2wv9A1 MET 26 HB2 -2.34 0.01 0.05 -0.04 2.15 -0.19 2wv9A1 MET 26 HB3 -1.11 0.06 0.02 -0.04 2.03 0.96 2wv9A1 MET 26 HG2 -0.44 -0.01 -0.25 -0.04 2.63 1.88 2wv9A1 MET 26 HG3 -0.33 -0.01 -0.12 -0.04 2.56 2.06 2wv9A1 MET 26 HE3 -0.07 0.03 -0.17 -0.04 2.10 1.85 2wv9A1 ALA 27 H -0.82 0.52 0.36 -0.55 8.40 7.91 2wv9A1 ALA 27 HA -0.33 0.23 0.86 -0.75 4.34 4.34 2wv9A1 ALA 27 HB3 -0.65 0.00 -0.05 -0.04 1.41 0.68 2wv9A1 ARG 28 H 0.05 0.34 0.10 -0.55 8.46 8.39 2wv9A1 ARG 28 HA 0.16 0.06 0.85 -0.75 4.34 4.66 2wv9A1 ARG 28 HB2 0.18 0.32 0.16 -0.04 1.90 2.52 2wv9A1 ARG 28 HB3 0.13 0.00 -0.00 -0.04 1.80 1.89 2wv9A1 ARG 28 HG2 0.29 -0.11 -0.04 -0.04 1.67 1.77 2wv9A1 ARG 28 HG3 0.63 -0.05 -0.31 -0.04 1.67 1.90 2wv9A1 ARG 28 HD2 0.02 0.35 0.02 -0.04 3.22 3.57 2wv9A1 ARG 28 HD3 0.04 -0.11 -0.03 -0.04 3.22 3.08 2wv9A1 GLY 29 H 0.24 0.41 0.06 -0.55 8.43 8.59 2wv9A1 GLY 29 HA2 0.13 0.24 0.84 -0.51 4.01 4.70 2wv9A1 GLY 29 HA3 0.15 -0.07 0.38 -0.51 4.01 3.96 2wv9A1 ILE 30 H 0.05 0.12 0.17 -0.55 8.25 8.04 2wv9A1 ILE 30 HA 0.04 0.21 0.74 -0.75 4.18 4.41 2wv9A1 ILE 30 HB 0.02 -0.04 0.12 -0.04 1.89 1.95 2wv9A1 ILE 30 HG12 0.03 -0.03 0.03 -0.04 1.49 1.49 2wv9A1 ILE 30 HG13 0.02 0.00 0.03 -0.04 1.21 1.23 2wv9A1 ILE 30 HG23 0.02 0.01 -0.03 -0.04 0.93 0.88 2wv9A1 ILE 30 HD13 0.02 0.03 -0.02 -0.04 0.88 0.87 2wv9A1 LEU 31 H 0.03 0.02 0.03 -0.55 8.37 7.90 2wv9A1 LEU 31 HA 0.02 0.16 0.52 -0.75 4.35 4.29 2wv9A1 LEU 31 HB2 -0.01 -0.03 0.07 -0.04 1.64 1.63 2wv9A1 LEU 31 HB3 0.00 0.05 0.08 -0.04 1.64 1.73 2wv9A1 LEU 31 HG 0.00 0.04 0.01 -0.04 1.64 1.66 2wv9A1 LEU 31 HD13 -0.00 -0.02 -0.02 -0.04 0.93 0.84 2wv9A1 LEU 31 HD23 -0.02 0.00 0.01 -0.04 0.89 0.85 2wv9A1 GLY 32 H 0.09 0.02 -0.54 -0.55 8.43 7.45 2wv9A1 GLY 32 HA2 0.08 0.06 0.15 -0.51 4.01 3.79 2wv9A1 GLY 32 HA3 0.08 0.23 0.84 -0.51 4.01 4.65 2wv9A1 ARG 33 H 0.12 0.09 0.14 -0.55 8.46 8.26 2wv9A1 ARG 33 HA 0.17 0.26 0.75 -0.75 4.34 4.76 2wv9A1 ARG 33 HB2 0.13 -0.07 0.14 -0.04 1.90 2.06 2wv9A1 ARG 33 HB3 0.16 0.03 -0.00 -0.04 1.80 1.94 2wv9A1 ARG 33 HG2 0.46 0.14 0.03 -0.04 1.67 2.25 2wv9A1 ARG 33 HG3 0.17 -0.06 0.05 -0.04 1.67 1.79 2wv9A1 ARG 33 HD2 0.11 -0.04 0.01 -0.04 3.22 3.26 2wv9A1 ARG 33 HD3 0.20 -0.03 -0.01 -0.04 3.22 3.34 2wv9A1 TYR 34 H -0.16 0.55 0.33 -0.55 8.29 8.47 2wv9A1 TYR 34 HA -0.01 0.09 0.46 -0.75 4.56 4.35 2wv9A1 TYR 34 HB2 -0.02 -0.05 0.10 -0.04 3.06 3.05 2wv9A1 TYR 34 HB3 0.00 0.10 -0.21 -0.04 2.98 2.83 2wv9A1 TYR 34 HD2 -0.01 0.17 -0.32 -0.04 7.15 6.94 2wv9A1 TYR 34 HE2 -0.01 0.02 -0.21 -0.04 6.85 6.61 2wv9A1 GLN 35 H 0.13 0.15 0.14 -0.55 8.47 8.34 2wv9A1 GLN 35 HA -0.23 0.19 1.03 -0.75 4.36 4.60 2wv9A1 GLN 35 HB2 -0.04 -0.07 0.03 -0.04 2.15 2.04 2wv9A1 GLN 35 HB3 0.02 -0.07 0.17 -0.04 2.02 2.10 2wv9A1 GLN 35 HG2 -0.04 0.08 -0.05 -0.04 2.40 2.35 2wv9A1 GLN 35 HG3 -0.10 -0.05 -0.02 -0.04 2.39 2.18 2wv9A1 GLN 35 HE21 -0.01 0.26 -0.20 -0.04 6.97 6.98 2wv9A1 GLN 35 HE22 0.01 0.36 -0.14 -0.04 7.69 7.87 2wv9A1 ALA 36 H -0.24 0.73 0.44 -0.55 8.40 8.78 2wv9A1 ALA 36 HA 0.18 0.02 0.58 -0.75 4.34 4.37 2wv9A1 ALA 36 HB3 -0.11 0.03 0.03 -0.04 1.41 1.32 2wv9A1 GLY 37 H -0.04 0.26 0.25 -0.55 8.43 8.36 2wv9A1 GLY 37 HA2 0.06 0.28 0.52 -0.51 4.01 4.36 2wv9A1 GLY 37 HA3 0.06 -0.03 0.46 -0.51 4.01 3.99 2wv9A1 VAL 38 H 0.09 0.70 0.37 -0.55 8.24 8.84 2wv9A1 VAL 38 HA 0.09 0.17 1.05 -0.75 4.13 4.69 2wv9A1 VAL 38 HB 0.05 -0.13 -0.37 -0.04 2.12 1.63 2wv9A1 VAL 38 HG13 0.02 -0.02 0.03 -0.04 0.97 0.96 2wv9A1 VAL 38 HG23 0.01 0.01 -0.12 -0.04 0.95 0.81 2wv9A1 GLY 39 H 0.15 0.51 0.37 -0.55 8.43 8.92 2wv9A1 GLY 39 HA2 -0.12 0.21 0.78 -0.51 4.01 4.36 2wv9A1 GLY 39 HA3 -0.38 -0.02 0.34 -0.51 4.01 3.44 2wv9A1 VAL 40 H -0.44 0.54 0.37 -0.55 8.24 8.16 2wv9A1 VAL 40 HA 0.06 0.27 1.17 -0.75 4.13 4.88 2wv9A1 VAL 40 HB -0.04 0.01 -0.07 -0.04 2.12 1.98 2wv9A1 VAL 40 HG13 -0.14 -0.00 0.07 -0.04 0.97 0.86 2wv9A1 VAL 40 HG23 0.00 -0.01 -0.21 -0.04 0.95 0.69 2wv9A1 MET 41 H 0.27 0.71 0.36 -0.55 8.47 9.26 2wv9A1 MET 41 HA 0.16 0.26 0.76 -0.75 4.52 4.95 2wv9A1 MET 41 HB2 0.38 0.00 -0.01 -0.04 2.15 2.48 2wv9A1 MET 41 HB3 0.32 -0.14 0.18 -0.04 2.03 2.36 2wv9A1 MET 41 HG2 0.12 0.09 -0.44 -0.04 2.63 2.36 2wv9A1 MET 41 HG3 0.11 -0.12 -0.39 -0.04 2.56 2.12 2wv9A1 MET 41 HE3 -0.10 -0.01 -0.15 -0.04 2.10 1.79 2wv9A1 HIS 42 H 0.20 0.85 0.27 -0.55 8.41 9.17 2wv9A1 HIS 42 HA 0.03 0.06 0.85 -0.75 4.63 4.81 2wv9A1 HIS 42 HB2 -0.05 0.02 -0.18 -0.04 3.26 3.01 2wv9A1 HIS 42 HB3 -0.06 0.02 0.05 -0.04 3.20 3.16 2wv9A1 HIS 42 HD2 -0.12 0.01 -0.19 -0.04 6.97 6.64 2wv9A1 HIS 42 HE1 -0.03 0.00 0.01 -0.04 7.75 7.69 2wv9A1 GLU 43 H -0.30 0.16 0.13 -0.55 8.60 8.04 2wv9A1 GLU 43 HA -0.17 0.03 0.35 -0.75 4.29 3.75 2wv9A1 GLU 43 HB2 -0.22 0.13 -0.02 -0.04 2.09 1.94 2wv9A1 GLU 43 HB3 -0.13 0.03 0.24 -0.04 1.99 2.10 2wv9A1 GLU 43 HG2 -0.63 -0.06 0.03 -0.04 2.34 1.64 2wv9A1 GLU 43 HG3 -0.26 0.03 0.01 -0.04 2.34 2.08 2wv9A1 GLY 44 H -0.03 0.08 -0.17 -0.55 8.43 7.75 2wv9A1 GLY 44 HA2 -0.01 0.05 0.25 -0.51 4.01 3.79 2wv9A1 GLY 44 HA3 -0.04 0.10 0.37 -0.51 4.01 3.93 2wv9A1 VAL 45 H -0.01 0.18 -0.68 -0.55 8.24 7.17 2wv9A1 VAL 45 HA -0.05 0.31 0.88 -0.75 4.13 4.52 2wv9A1 VAL 45 HB -0.15 0.03 -0.02 -0.04 2.12 1.94 2wv9A1 VAL 45 HG13 -0.49 0.00 -0.49 -0.04 0.97 -0.04 2wv9A1 VAL 45 HG23 -0.11 0.09 -0.37 -0.04 0.95 0.52 2wv9A1 PHE 46 H 0.13 0.68 0.24 -0.55 8.34 8.83 2wv9A1 PHE 46 HA 0.00 0.14 0.75 -0.75 4.62 4.76 2wv9A1 PHE 46 HB2 -0.05 0.02 -0.01 -0.04 3.15 3.07 2wv9A1 PHE 46 HB3 0.08 -0.06 0.11 -0.04 3.06 3.15 2wv9A1 PHE 46 HD2 0.02 -0.04 -0.30 -0.04 7.28 6.91 2wv9A1 PHE 46 HE2 0.06 -0.00 -0.29 -0.04 7.38 7.10 2wv9A1 PHE 46 HZ 0.02 0.06 -0.26 -0.04 7.32 7.10 2wv9A1 HIS 47 H -0.34 0.65 0.32 -0.55 8.41 8.48 2wv9A1 HIS 47 HA 0.06 0.19 1.02 -0.75 4.63 5.15 2wv9A1 HIS 47 HB2 -0.44 -0.01 0.21 -0.04 3.26 2.99 2wv9A1 HIS 47 HB3 -0.86 -0.01 0.09 -0.04 3.20 2.37 2wv9A1 HIS 47 HD2 -1.37 -0.03 0.02 -0.04 6.97 5.54 2wv9A1 HIS 47 HE1 -0.12 0.27 0.10 -0.04 7.75 7.96 2wv9A1 THR 48 H 0.46 0.63 0.37 -0.55 8.28 9.18 2wv9A1 THR 48 HA 0.18 0.14 0.52 -0.75 4.39 4.48 2wv9A1 THR 48 HB 0.05 0.04 -0.10 -0.04 4.32 4.27 2wv9A1 THR 48 HG23 0.41 0.00 -0.28 -0.04 1.22 1.32 2wv9A1 LEU 49 H 0.22 0.24 0.21 -0.55 8.37 8.48 2wv9A1 LEU 49 HA 0.27 0.31 0.87 -0.75 4.35 5.05 2wv9A1 LEU 49 HB2 0.18 -0.09 0.11 -0.04 1.64 1.80 2wv9A1 LEU 49 HB3 0.20 0.05 0.19 -0.04 1.64 2.05 2wv9A1 LEU 49 HG 0.18 0.00 0.08 -0.04 1.64 1.86 2wv9A1 LEU 49 HD13 0.10 0.03 0.03 -0.04 0.93 1.05 2wv9A1 LEU 49 HD23 0.20 0.02 -0.04 -0.04 0.89 1.03 2wv9A1 TRP 50 H 0.35 0.28 -0.52 -0.55 7.97 7.53 2wv9A1 TRP 50 HA 0.07 0.05 0.16 -0.75 4.62 4.14 2wv9A1 TRP 50 HB2 -0.06 0.14 -0.11 -0.04 3.23 3.15 2wv9A1 TRP 50 HB3 -0.03 -0.02 0.06 -0.04 3.23 3.21 2wv9A1 TRP 50 HD1 -0.20 0.06 -0.10 -0.04 7.22 6.94 2wv9A1 TRP 50 HE1 -0.13 0.05 -0.07 -0.04 10.20 10.01 2wv9A1 TRP 50 HE3 -0.05 0.04 -0.06 -0.04 7.59 7.48 2wv9A1 TRP 50 HZ2 -0.07 0.07 -0.13 -0.04 7.44 7.28 2wv9A1 TRP 50 HZ3 -0.07 0.05 -0.07 -0.04 7.13 7.00 2wv9A1 TRP 50 HH2 -0.05 0.10 -0.15 -0.04 7.19 7.05 2wv9A1 HIS 51 H 0.29 0.11 -0.19 -0.55 8.41 8.08 2wv9A1 HIS 51 HA -0.13 0.06 0.37 -0.75 4.63 4.17 2wv9A1 HIS 51 HB2 0.07 -0.05 0.09 -0.04 3.26 3.33 2wv9A1 HIS 51 HB3 0.02 0.11 -0.06 -0.04 3.20 3.23 2wv9A1 HIS 51 HD2 0.12 -0.00 0.07 -0.04 6.97 7.11 2wv9A1 HIS 51 HE1 0.04 0.00 0.01 -0.04 7.75 7.76 2wv9A1 THR 52 H 0.11 0.16 -0.35 -0.55 8.28 7.64 2wv9A1 THR 52 HA 0.05 0.17 0.25 -0.75 4.39 4.12 2wv9A1 THR 52 HB 0.10 0.09 0.07 -0.04 4.32 4.54 2wv9A1 THR 52 HG23 0.05 0.01 -0.37 -0.04 1.22 0.87 2wv9A1 THR 53 H -0.12 0.14 -0.20 -0.55 8.28 7.56 2wv9A1 THR 53 HA -0.09 0.24 0.66 -0.75 4.39 4.45 2wv9A1 THR 53 HB -0.01 -0.03 -0.03 -0.04 4.32 4.21 2wv9A1 THR 53 HG23 0.01 0.02 -0.24 -0.04 1.22 0.97 2wv9A1 ARG 54 H -0.61 0.46 -0.04 -0.55 8.46 7.72 2wv9A1 ARG 54 HA -1.42 0.03 0.28 -0.75 4.34 2.48 2wv9A1 ARG 54 HB2 -0.24 0.10 -0.30 -0.04 1.90 1.42 2wv9A1 ARG 54 HB3 -0.25 -0.04 0.22 -0.04 1.80 1.68 2wv9A1 ARG 54 HG2 -0.33 -0.08 0.04 -0.04 1.67 1.25 2wv9A1 ARG 54 HG3 -0.33 0.16 0.01 -0.04 1.67 1.47 2wv9A1 ARG 54 HD2 -0.08 0.05 -0.03 -0.04 3.22 3.11 2wv9A1 ARG 54 HD3 -0.09 -0.02 0.00 -0.04 3.22 3.07 2wv9A1 GLY 55 H -0.67 0.01 -0.35 -0.55 8.43 6.88 2wv9A1 GLY 55 HA2 0.01 -0.02 0.21 -0.51 4.01 3.70 2wv9A1 GLY 55 HA3 -0.01 0.08 0.48 -0.51 4.01 4.05 2wv9A1 ALA 56 H -0.09 0.18 -0.29 -0.55 8.40 7.65 2wv9A1 ALA 56 HA 0.03 0.08 0.63 -0.75 4.34 4.32 2wv9A1 ALA 56 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.45 2wv9A1 ALA 57 H 0.05 0.06 0.17 -0.55 8.40 8.14 2wv9A1 ALA 57 HA 0.20 0.20 0.85 -0.75 4.34 4.84 2wv9A1 ALA 57 HB3 0.07 -0.01 0.00 -0.04 1.41 1.43 2wv9A1 ILE 58 H -0.01 0.72 0.26 -0.55 8.25 8.67 2wv9A1 ILE 58 HA -0.11 0.31 0.91 -0.75 4.18 4.53 2wv9A1 ILE 58 HB -0.53 -0.05 -0.04 -0.04 1.89 1.24 2wv9A1 ILE 58 HG12 -0.32 0.03 -0.34 -0.04 1.49 0.82 2wv9A1 ILE 58 HG13 -0.54 -0.00 -0.44 -0.04 1.21 0.18 2wv9A1 ILE 58 HG23 -0.38 0.00 -0.45 -0.04 0.93 0.07 2wv9A1 ILE 58 HD13 -0.87 -0.02 -0.26 -0.04 0.88 -0.31 2wv9A1 MET 59 H 0.01 0.69 0.19 -0.55 8.47 8.81 2wv9A1 MET 59 HA -0.02 -0.00 0.74 -0.75 4.52 4.48 2wv9A1 MET 59 HB2 0.06 0.12 0.16 -0.04 2.15 2.45 2wv9A1 MET 59 HB3 0.01 0.10 -0.03 -0.04 2.03 2.06 2wv9A1 MET 59 HG2 -0.00 -0.06 -0.11 -0.04 2.63 2.42 2wv9A1 MET 59 HG3 0.01 -0.08 -0.10 -0.04 2.56 2.35 2wv9A1 MET 59 HE3 0.03 -0.00 -0.11 -0.04 2.10 1.98 2wv9A1 SER 60 H -0.06 0.40 0.14 -0.55 8.46 8.39 2wv9A1 SER 60 HA -0.13 0.07 0.70 -0.75 4.49 4.37 2wv9A1 SER 60 HB2 -0.17 0.03 0.00 -0.04 3.95 3.76 2wv9A1 SER 60 HB3 -0.08 0.15 0.02 -0.04 3.93 3.97 2wv9A1 GLY 61 H -0.06 0.10 0.09 -0.55 8.43 8.02 2wv9A1 GLY 61 HA2 0.00 0.05 0.37 -0.51 4.01 3.92 2wv9A1 GLY 61 HA3 -0.00 -0.01 0.33 -0.51 4.01 3.82 2wv9A1 GLU 62 H -0.02 0.16 -0.15 -0.55 8.60 8.03 2wv9A1 GLU 62 HA -0.02 0.12 0.76 -0.75 4.29 4.40 2wv9A1 GLU 62 HB2 -0.01 -0.01 0.07 -0.04 2.09 2.10 2wv9A1 GLU 62 HB3 -0.01 -0.01 -0.01 -0.04 1.99 1.91 2wv9A1 GLU 62 HG2 -0.01 0.05 -0.42 -0.04 2.34 1.93 2wv9A1 GLU 62 HG3 -0.00 -0.03 -0.07 -0.04 2.34 2.20 2wv9A1 GLY 63 H -0.01 0.10 0.03 -0.55 8.43 8.00 2wv9A1 GLY 63 HA2 -0.00 -0.04 0.38 -0.51 4.01 3.83 2wv9A1 GLY 63 HA3 -0.00 0.13 0.40 -0.51 4.01 4.03 2wv9A1 ARG 64 H 0.01 0.10 0.15 -0.55 8.46 8.17 2wv9A1 ARG 64 HA -0.00 0.16 0.71 -0.75 4.34 4.46 2wv9A1 ARG 64 HB2 0.01 -0.05 0.02 -0.04 1.90 1.84 2wv9A1 ARG 64 HB3 0.02 -0.01 -0.04 -0.04 1.80 1.74 2wv9A1 ARG 64 HG2 0.03 0.04 -0.23 -0.04 1.67 1.47 2wv9A1 ARG 64 HG3 0.01 0.03 -0.18 -0.04 1.67 1.48 2wv9A1 ARG 64 HD2 0.02 0.01 -0.11 -0.04 3.22 3.10 2wv9A1 ARG 64 HD3 0.01 -0.02 -0.07 -0.04 3.22 3.11 2wv9A1 LEU 65 H 0.02 0.55 0.19 -0.55 8.37 8.58 2wv9A1 LEU 65 HA 0.10 0.13 0.93 -0.75 4.35 4.75 2wv9A1 LEU 65 HB2 0.05 0.09 0.11 -0.04 1.64 1.85 2wv9A1 LEU 65 HB3 0.23 -0.02 -0.01 -0.04 1.64 1.79 2wv9A1 LEU 65 HG 0.01 0.00 -0.34 -0.04 1.64 1.27 2wv9A1 LEU 65 HD13 -0.00 0.00 -0.12 -0.04 0.93 0.76 2wv9A1 LEU 65 HD23 0.06 0.00 -0.01 -0.04 0.89 0.91 2wv9A1 THR 66 H 0.15 0.17 0.14 -0.55 8.28 8.18 2wv9A1 THR 66 HA 0.26 0.18 0.87 -0.75 4.39 4.95 2wv9A1 THR 66 HB 0.09 0.11 0.06 -0.04 4.32 4.54 2wv9A1 THR 66 HG23 0.08 -0.02 -0.13 -0.04 1.22 1.11 2wv9A1 PRO 67 HA -0.57 0.15 0.49 -0.51 4.44 4.00 2wv9A1 PRO 67 HB2 0.02 0.00 -0.00 -0.04 2.28 2.25 2wv9A1 PRO 67 HB3 -0.04 -0.00 0.00 -0.04 2.02 1.94 2wv9A1 PRO 67 HG2 0.13 0.06 -0.01 -0.04 2.03 2.16 2wv9A1 PRO 67 HG3 0.01 0.03 -0.04 -0.04 2.03 1.99 2wv9A1 PRO 67 HD2 0.09 0.08 0.08 -0.04 3.68 3.89 2wv9A1 PRO 67 HD3 0.23 0.25 0.02 -0.04 3.65 4.11 2wv9A1 TYR 68 H 0.05 0.53 0.44 -0.55 8.29 8.76 2wv9A1 TYR 68 HA 0.05 0.14 0.79 -0.75 4.56 4.79 2wv9A1 TYR 68 HB2 0.05 -0.13 0.18 -0.04 3.06 3.12 2wv9A1 TYR 68 HB3 0.10 0.14 0.08 -0.04 2.98 3.26 2wv9A1 TYR 68 HD2 0.12 0.03 -0.25 -0.04 7.15 7.01 2wv9A1 TYR 68 HE2 0.05 0.00 -0.07 -0.04 6.85 6.79 2wv9A1 TRP 69 H 0.34 0.24 0.28 -0.55 7.97 8.27 2wv9A1 TRP 69 HA -0.03 0.18 0.67 -0.75 4.62 4.69 2wv9A1 TRP 69 HB2 0.18 0.09 -0.12 -0.04 3.23 3.34 2wv9A1 TRP 69 HB3 0.23 -0.05 -0.00 -0.04 3.23 3.37 2wv9A1 TRP 69 HD1 0.00 0.05 0.06 -0.04 7.22 7.29 2wv9A1 TRP 69 HE1 -0.03 0.02 0.01 -0.04 10.20 10.15 2wv9A1 TRP 69 HE3 0.23 -0.07 -0.35 -0.04 7.59 7.36 2wv9A1 TRP 69 HZ2 -0.11 0.03 -0.08 -0.04 7.44 7.23 2wv9A1 TRP 69 HZ3 -0.24 -0.03 -0.25 -0.04 7.13 6.57 2wv9A1 TRP 69 HH2 -0.36 0.04 -0.14 -0.04 7.19 6.70 2wv9A1 GLY 70 H -1.27 0.31 0.19 -0.55 8.43 7.12 2wv9A1 GLY 70 HA2 -0.78 0.14 0.48 -0.51 4.01 3.34 2wv9A1 GLY 70 HA3 -0.50 0.04 0.40 -0.51 4.01 3.44 2wv9A1 ASN 71 H -0.64 0.72 0.27 -0.55 8.53 8.34 2wv9A1 ASN 71 HA -0.62 0.09 0.52 -0.75 4.76 4.00 2wv9A1 ASN 71 HB2 -0.65 0.16 -0.11 -0.04 2.88 2.23 2wv9A1 ASN 71 HB3 -0.36 -0.07 0.08 -0.04 2.79 2.39 2wv9A1 ASN 71 HD21 -0.11 0.03 0.03 -0.04 7.03 6.93 2wv9A1 ASN 71 HD22 -0.09 0.08 0.02 -0.04 7.74 7.70 2wv9A1 VAL 72 H -0.59 0.22 0.14 -0.55 8.24 7.46 2wv9A1 VAL 72 HA -0.74 0.09 0.48 -0.75 4.13 3.21 2wv9A1 VAL 72 HB -0.34 -0.03 0.16 -0.04 2.12 1.88 2wv9A1 VAL 72 HG13 -0.08 0.03 -0.09 -0.04 0.97 0.79 2wv9A1 VAL 72 HG23 -1.00 0.02 0.02 -0.04 0.95 -0.05 2wv9A1 LYS 73 H -0.21 0.10 0.06 -0.55 8.42 7.82 2wv9A1 LYS 73 HA -0.05 0.12 0.42 -0.75 4.32 4.05 2wv9A1 LYS 73 HB2 -0.10 -0.02 0.14 -0.04 1.87 1.84 2wv9A1 LYS 73 HB3 -0.09 0.01 0.02 -0.04 1.79 1.68 2wv9A1 LYS 73 HG2 -0.03 0.05 -0.03 -0.04 1.46 1.41 2wv9A1 LYS 73 HG3 -0.03 0.01 0.08 -0.04 1.46 1.48 2wv9A1 LYS 73 HD2 -0.05 -0.02 0.03 -0.04 1.69 1.61 2wv9A1 LYS 73 HD3 -0.03 0.01 -0.00 -0.04 1.68 1.61 2wv9A1 LYS 73 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 2wv9A1 LYS 73 HE3 -0.01 0.01 0.01 -0.04 2.99 2.95 2wv9A1 GLU 74 H -0.15 -0.06 -0.47 -0.55 8.60 7.37 2wv9A1 GLU 74 HA -0.04 0.19 0.60 -0.75 4.29 4.29 2wv9A1 GLU 74 HB2 -0.15 -0.08 -0.01 -0.04 2.09 1.81 2wv9A1 GLU 74 HB3 -0.08 0.06 -0.01 -0.04 1.99 1.91 2wv9A1 GLU 74 HG2 -0.04 0.09 -0.04 -0.04 2.34 2.31 2wv9A1 GLU 74 HG3 -0.07 -0.12 -0.09 -0.04 2.34 2.02 2wv9A1 ASP 75 H -0.07 0.18 -0.30 -0.55 8.40 7.67 2wv9A1 ASP 75 HA 0.20 -0.03 0.45 -0.75 4.63 4.50 2wv9A1 ASP 75 HB2 0.15 0.11 -0.09 -0.04 2.71 2.84 2wv9A1 ASP 75 HB3 0.10 0.18 0.19 -0.04 2.70 3.13 2wv9A1 ARG 76 H -0.08 0.43 0.15 -0.55 8.46 8.40 2wv9A1 ARG 76 HA 0.15 0.28 1.07 -0.75 4.34 5.09 2wv9A1 ARG 76 HB2 -0.15 -0.09 -0.06 -0.04 1.90 1.55 2wv9A1 ARG 76 HB3 -0.16 0.01 -0.04 -0.04 1.80 1.58 2wv9A1 ARG 76 HG2 -0.24 0.08 -0.12 -0.04 1.67 1.35 2wv9A1 ARG 76 HG3 -0.16 0.16 -0.42 -0.04 1.67 1.22 2wv9A1 ARG 76 HD2 -1.89 -0.04 -0.11 -0.04 3.22 1.13 2wv9A1 ARG 76 HD3 -0.59 -0.00 -0.22 -0.04 3.22 2.37 2wv9A1 VAL 77 H 0.49 0.64 0.31 -0.55 8.24 9.13 2wv9A1 VAL 77 HA 0.22 0.15 0.69 -0.75 4.13 4.43 2wv9A1 VAL 77 HB 0.49 -0.04 -0.16 -0.04 2.12 2.36 2wv9A1 VAL 77 HG13 0.41 -0.03 -0.50 -0.04 0.97 0.81 2wv9A1 VAL 77 HG23 0.13 0.03 0.01 -0.04 0.95 1.08 2wv9A1 THR 78 H 0.33 0.56 0.37 -0.55 8.28 8.99 2wv9A1 THR 78 HA 0.35 0.34 1.14 -0.75 4.39 5.47 2wv9A1 THR 78 HB 0.14 0.22 -0.08 -0.04 4.32 4.56 2wv9A1 THR 78 HG23 0.54 -0.04 -0.27 -0.04 1.22 1.40 2wv9A1 TYR 79 H 0.30 0.73 0.25 -0.55 8.29 9.02 2wv9A1 TYR 79 HA 0.17 0.08 0.93 -0.75 4.56 4.99 2wv9A1 TYR 79 HB2 0.20 -0.02 0.07 -0.04 3.06 3.28 2wv9A1 TYR 79 HB3 0.06 0.03 -0.07 -0.04 2.98 2.96 2wv9A1 TYR 79 HD2 0.21 0.01 -0.45 -0.04 7.15 6.89 2wv9A1 TYR 79 HE2 0.14 0.03 -0.18 -0.04 6.85 6.79 2wv9A1 GLY 80 H 0.13 0.12 0.18 -0.55 8.43 8.31 2wv9A1 GLY 80 HA2 0.01 -0.00 0.34 -0.51 4.01 3.85 2wv9A1 GLY 80 HA3 0.01 0.23 0.73 -0.51 4.01 4.47 2wv9A1 GLY 81 H -0.28 -0.03 0.05 -0.55 8.43 7.63 2wv9A1 GLY 81 HA2 -1.43 -0.01 0.27 -0.51 4.01 2.33 2wv9A1 GLY 81 HA3 -0.39 0.30 0.77 -0.51 4.01 4.18 2wv9A1 PRO 82 HA 0.13 0.03 0.41 -0.51 4.44 4.50 2wv9A1 PRO 82 HB2 -0.06 0.12 -0.04 -0.04 2.28 2.26 2wv9A1 PRO 82 HB3 0.07 -0.00 0.04 -0.04 2.02 2.08 2wv9A1 PRO 82 HG2 -0.04 0.08 -0.06 -0.04 2.03 1.97 2wv9A1 PRO 82 HG3 -0.00 0.03 0.02 -0.04 2.03 2.03 2wv9A1 PRO 82 HD2 -0.17 0.19 0.13 -0.04 3.68 3.79 2wv9A1 PRO 82 HD3 -0.32 0.09 0.15 -0.04 3.65 3.53 2wv9A1 TRP 83 H -0.11 0.07 0.07 -0.55 7.97 7.46 2wv9A1 TRP 83 HA 0.22 0.03 0.43 -0.75 4.62 4.54 2wv9A1 TRP 83 HB2 -0.45 -0.03 0.05 -0.04 3.23 2.76 2wv9A1 TRP 83 HB3 -0.43 0.03 0.09 -0.04 3.23 2.89 2wv9A1 TRP 83 HD1 -0.08 0.09 -0.14 -0.04 7.22 7.05 2wv9A1 TRP 83 HE1 -0.02 0.05 0.02 -0.04 10.20 10.21 2wv9A1 TRP 83 HE3 0.42 -0.02 -0.13 -0.04 7.59 7.82 2wv9A1 TRP 83 HZ2 0.05 0.05 -0.04 -0.04 7.44 7.45 2wv9A1 TRP 83 HZ3 0.31 0.14 0.14 -0.04 7.13 7.67 2wv9A1 TRP 83 HH2 0.15 0.04 -0.07 -0.04 7.19 7.27 2wv9A1 LYS 84 H 0.03 0.10 0.17 -0.55 8.42 8.17 2wv9A1 LYS 84 HA 0.01 0.20 0.74 -0.75 4.32 4.51 2wv9A1 LYS 84 HB2 0.14 0.07 0.06 -0.04 1.87 2.09 2wv9A1 LYS 84 HB3 0.05 -0.07 0.10 -0.04 1.79 1.83 2wv9A1 LYS 84 HG2 0.01 -0.04 -0.18 -0.04 1.46 1.20 2wv9A1 LYS 84 HG3 0.03 0.32 -0.21 -0.04 1.46 1.57 2wv9A1 LYS 84 HD2 -0.01 0.15 0.07 -0.04 1.69 1.86 2wv9A1 LYS 84 HD3 -0.02 -0.12 0.03 -0.04 1.68 1.53 2wv9A1 LYS 84 HE2 -0.06 0.04 -0.03 -0.04 2.99 2.90 2wv9A1 LYS 84 HE3 -0.05 0.05 0.06 -0.04 2.99 3.01 2wv9A1 LEU 85 H -0.86 0.02 0.00 -0.55 8.37 6.99 2wv9A1 LEU 85 HA -0.23 0.09 0.81 -0.75 4.35 4.27 2wv9A1 LEU 85 HB2 -0.51 -0.01 0.10 -0.04 1.64 1.17 2wv9A1 LEU 85 HB3 -0.23 0.07 0.03 -0.04 1.64 1.47 2wv9A1 LEU 85 HG -1.45 -0.07 0.01 -0.04 1.64 0.08 2wv9A1 LEU 85 HD13 -0.66 0.01 -0.02 -0.04 0.93 0.22 2wv9A1 LEU 85 HD23 -0.54 0.02 -0.03 -0.04 0.89 0.30 2wv9A1 ASP 86 H -0.04 0.05 0.21 -0.55 8.40 8.08 2wv9A1 ASP 86 HA 0.11 0.13 0.77 -0.75 4.63 4.89 2wv9A1 ASP 86 HB2 0.04 -0.01 0.09 -0.04 2.71 2.79 2wv9A1 ASP 86 HB3 0.06 0.06 -0.24 -0.04 2.70 2.54 2wv9A1 GLN 87 H -0.01 0.01 0.16 -0.55 8.47 8.09 2wv9A1 GLN 87 HA 0.02 0.08 0.57 -0.75 4.36 4.27 2wv9A1 GLN 87 HB2 -0.01 0.28 0.05 -0.04 2.15 2.42 2wv9A1 GLN 87 HB3 0.01 0.01 -0.10 -0.04 2.02 1.91 2wv9A1 GLN 87 HG2 -0.04 -0.08 0.08 -0.04 2.40 2.32 2wv9A1 GLN 87 HG3 -0.03 -0.07 -0.00 -0.04 2.39 2.24 2wv9A1 GLN 87 HE21 -0.01 0.03 -0.03 -0.04 6.97 6.92 2wv9A1 GLN 87 HE22 -0.01 -0.01 -0.02 -0.04 7.69 7.61 2wv9A1 LYS 88 H 0.03 0.13 0.18 -0.55 8.42 8.20 2wv9A1 LYS 88 HA 0.12 0.21 0.87 -0.75 4.32 4.77 2wv9A1 LYS 88 HB2 0.02 -0.04 0.06 -0.04 1.87 1.87 2wv9A1 LYS 88 HB3 0.06 0.11 0.02 -0.04 1.79 1.94 2wv9A1 LYS 88 HG2 0.08 0.01 -0.05 -0.04 1.46 1.46 2wv9A1 LYS 88 HG3 0.05 0.07 -0.16 -0.04 1.46 1.39 2wv9A1 LYS 88 HD2 0.03 -0.01 0.00 -0.04 1.69 1.68 2wv9A1 LYS 88 HD3 0.02 -0.02 0.02 -0.04 1.68 1.65 2wv9A1 LYS 88 HE2 0.04 0.05 0.03 -0.04 2.99 3.07 2wv9A1 LYS 88 HE3 0.05 -0.00 0.03 -0.04 2.99 3.03 2wv9A1 TRP 89 H 0.30 0.18 -0.17 -0.55 7.97 7.73 2wv9A1 TRP 89 HA 0.00 0.02 0.44 -0.75 4.62 4.32 2wv9A1 TRP 89 HB2 0.03 0.00 -0.04 -0.04 3.23 3.18 2wv9A1 TRP 89 HB3 0.02 -0.01 -2.66 -0.04 3.23 0.54 2wv9A1 TRP 89 HD1 0.02 -0.09 -0.05 -0.04 7.22 7.06 2wv9A1 TRP 89 HE1 0.02 0.45 0.14 -0.04 10.20 10.78 2wv9A1 TRP 89 HE3 0.01 -0.02 0.15 -0.04 7.59 7.70 2wv9A1 TRP 89 HZ2 0.00 -0.04 0.03 -0.04 7.44 7.39 2wv9A1 TRP 89 HZ3 -0.01 0.02 -0.06 -0.04 7.13 7.04 2wv9A1 TRP 89 HH2 -0.02 0.06 -0.15 -0.04 7.19 7.04 2wv9A1 ASN 90 H -0.24 0.12 0.09 -0.55 8.53 7.96 2wv9A1 ASN 90 HA -0.51 0.15 0.88 -0.75 4.76 4.53 2wv9A1 ASN 90 HB2 -0.27 0.06 0.04 -0.04 2.88 2.68 2wv9A1 ASN 90 HB3 -0.20 0.01 0.01 -0.04 2.79 2.57 2wv9A1 ASN 90 HD21 -0.06 -0.05 0.02 -0.04 7.03 6.89 2wv9A1 ASN 90 HD22 -0.09 0.03 0.04 -0.04 7.74 7.68 2wv9A1 GLY 91 H -0.67 0.14 0.10 -0.55 8.43 7.46 2wv9A1 GLY 91 HA2 -1.26 0.02 0.35 -0.51 4.01 2.60 2wv9A1 GLY 91 HA3 -0.52 0.07 0.30 -0.51 4.01 3.35 2wv9A1 VAL 92 H 0.05 0.15 0.16 -0.55 8.24 8.05 2wv9A1 VAL 92 HA 0.08 0.00 0.31 -0.75 4.13 3.77 2wv9A1 VAL 92 HB -0.06 0.29 0.17 -0.04 2.12 2.48 2wv9A1 VAL 92 HG13 0.01 -0.02 0.14 -0.04 0.97 1.06 2wv9A1 VAL 92 HG23 -0.02 -0.02 -0.12 -0.04 0.95 0.75 2wv9A1 ASP 93 H 0.22 0.20 -0.08 -0.55 8.40 8.19 2wv9A1 ASP 93 HA 0.12 0.12 1.01 -0.75 4.63 5.12 2wv9A1 ASP 93 HB2 -0.01 0.03 -0.19 -0.04 2.71 2.51 2wv9A1 ASP 93 HB3 0.13 0.09 0.06 -0.04 2.70 2.94 2wv9A1 ASP 94 H 0.16 0.10 0.15 -0.55 8.40 8.27 2wv9A1 ASP 94 HA 0.18 0.16 0.70 -0.75 4.63 4.92 2wv9A1 ASP 94 HB2 0.21 -0.06 0.12 -0.04 2.71 2.94 2wv9A1 ASP 94 HB3 0.23 0.05 -0.02 -0.04 2.70 2.92 2wv9A1 VAL 95 H 0.13 0.42 0.38 -0.55 8.24 8.61 2wv9A1 VAL 95 HA 0.45 0.17 0.87 -0.75 4.13 4.86 2wv9A1 VAL 95 HB 0.11 0.02 -0.04 -0.04 2.12 2.17 2wv9A1 VAL 95 HG13 0.19 0.01 -0.22 -0.04 0.97 0.91 2wv9A1 VAL 95 HG23 -0.13 -0.01 -0.07 -0.04 0.95 0.71 2wv9A1 GLN 96 H 0.28 0.60 0.21 -0.55 8.47 9.01 2wv9A1 GLN 96 HA -0.09 0.24 0.98 -0.75 4.36 4.73 2wv9A1 GLN 96 HB2 -0.23 0.02 0.04 -0.04 2.15 1.94 2wv9A1 GLN 96 HB3 -0.26 -0.01 -0.11 -0.04 2.02 1.60 2wv9A1 GLN 96 HG2 -0.43 -0.00 -0.22 -0.04 2.40 1.71 2wv9A1 GLN 96 HG3 -0.71 0.00 -0.27 -0.04 2.39 1.38 2wv9A1 GLN 96 HE21 -1.24 0.34 0.07 -0.04 6.97 6.10 2wv9A1 GLN 96 HE22 -0.89 -0.06 -0.03 -0.04 7.69 6.68 2wv9A1 MET 97 H -0.07 0.57 0.23 -0.55 8.47 8.64 2wv9A1 MET 97 HA -0.04 0.21 0.87 -0.75 4.52 4.80 2wv9A1 MET 97 HB2 -0.04 -0.04 -0.02 -0.04 2.15 2.00 2wv9A1 MET 97 HB3 -0.10 0.05 0.14 -0.04 2.03 2.08 2wv9A1 MET 97 HG2 -0.23 -0.07 -0.50 -0.04 2.63 1.79 2wv9A1 MET 97 HG3 -0.10 0.12 -0.28 -0.04 2.56 2.26 2wv9A1 MET 97 HE3 -0.90 -0.01 -0.14 -0.04 2.10 1.00 2wv9A1 ILE 98 H -0.07 0.71 0.21 -0.55 8.25 8.55 2wv9A1 ILE 98 HA -0.11 0.05 0.73 -0.75 4.18 4.10 2wv9A1 ILE 98 HB -0.06 0.02 0.20 -0.04 1.89 2.01 2wv9A1 ILE 98 HG12 -0.07 -0.02 -0.04 -0.04 1.49 1.32 2wv9A1 ILE 98 HG13 -0.05 0.02 -0.07 -0.04 1.21 1.07 2wv9A1 ILE 98 HG23 -0.07 -0.01 -0.17 -0.04 0.93 0.64 2wv9A1 ILE 98 HD13 -0.02 0.05 0.06 -0.04 0.88 0.92 2wv9A1 VAL 99 H -0.16 0.69 0.21 -0.55 8.24 8.43 2wv9A1 VAL 99 HA -0.32 0.04 0.35 -0.75 4.13 3.45 2wv9A1 VAL 99 HB -0.22 0.03 0.23 -0.04 2.12 2.12 2wv9A1 VAL 99 HG13 -0.67 -0.03 -0.16 -0.04 0.97 0.08 2wv9A1 VAL 99 HG23 -0.36 0.03 -0.04 -0.04 0.95 0.53 2wv9A1 VAL 100 H -0.17 0.27 0.13 -0.55 8.24 7.93 2wv9A1 VAL 100 HA -0.08 0.14 0.75 -0.75 4.13 4.18 2wv9A1 VAL 100 HB -0.05 0.04 0.14 -0.04 2.12 2.21 2wv9A1 VAL 100 HG13 -0.03 -0.00 -0.13 -0.04 0.97 0.76 2wv9A1 VAL 100 HG23 -0.06 0.01 -0.21 -0.04 0.95 0.65 2wv9A1 GLU 101 H -0.08 0.23 -0.18 -0.55 8.60 8.03 2wv9A1 GLU 101 HA -0.04 0.14 0.53 -0.75 4.29 4.17 2wv9A1 GLU 101 HB2 -0.06 -0.04 -0.06 -0.04 2.09 1.90 2wv9A1 GLU 101 HB3 0.00 -0.02 -0.02 -0.04 1.99 1.91 2wv9A1 GLU 101 HG2 0.05 0.11 -0.08 -0.04 2.34 2.37 2wv9A1 GLU 101 HG3 0.10 -0.03 0.04 -0.04 2.34 2.42 2wv9A1 PRO 102 HA 0.00 0.03 0.38 -0.51 4.44 4.35 2wv9A1 PRO 102 HB2 0.03 0.03 0.06 -0.04 2.28 2.36 2wv9A1 PRO 102 HB3 0.04 0.02 0.13 -0.04 2.02 2.16 2wv9A1 PRO 102 HG2 0.04 -0.00 0.10 -0.04 2.03 2.13 2wv9A1 PRO 102 HG3 0.05 -0.01 0.07 -0.04 2.03 2.09 2wv9A1 PRO 102 HD2 0.03 0.05 0.15 -0.04 3.68 3.87 2wv9A1 PRO 102 HD3 0.02 0.27 -0.13 -0.04 3.65 3.77 2wv9A1 GLY 103 H 0.01 0.16 0.12 -0.55 8.43 8.16 2wv9A1 GLY 103 HA2 0.01 -0.02 0.34 -0.51 4.01 3.83 2wv9A1 GLY 103 HA3 0.01 0.11 0.59 -0.51 4.01 4.21 2wv9A1 LYS 104 H 0.00 0.31 -0.59 -0.55 8.42 7.59 2wv9A1 LYS 104 HA -0.00 0.10 0.65 -0.75 4.32 4.32 2wv9A1 LYS 104 HB2 -0.00 -0.03 -0.03 -0.04 1.87 1.77 2wv9A1 LYS 104 HB3 -0.00 -0.01 0.04 -0.04 1.79 1.78 2wv9A1 LYS 104 HG2 0.02 0.08 -0.15 -0.04 1.46 1.37 2wv9A1 LYS 104 HG3 0.03 -0.04 -0.06 -0.04 1.46 1.35 2wv9A1 LYS 104 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.59 2wv9A1 LYS 104 HD3 0.01 0.05 -0.20 -0.04 1.68 1.50 2wv9A1 LYS 104 HE2 0.01 0.04 -0.07 -0.04 2.99 2.93 2wv9A1 LYS 104 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 2wv9A1 PRO 105 HA -0.02 0.12 0.52 -0.51 4.44 4.55 2wv9A1 PRO 105 HB2 -0.02 -0.06 0.01 -0.04 2.28 2.17 2wv9A1 PRO 105 HB3 -0.02 0.07 0.12 -0.04 2.02 2.15 2wv9A1 PRO 105 HG2 -0.02 -0.08 0.00 -0.04 2.03 1.90 2wv9A1 PRO 105 HG3 -0.01 0.03 0.06 -0.04 2.03 2.07 2wv9A1 PRO 105 HD2 -0.01 0.06 0.21 -0.04 3.68 3.90 2wv9A1 PRO 105 HD3 -0.01 0.21 0.19 -0.04 3.65 4.00 2wv9A1 ALA 106 H -0.04 0.13 0.15 -0.55 8.40 8.10 2wv9A1 ALA 106 HA -0.07 0.33 0.47 -0.75 4.34 4.31 2wv9A1 ALA 106 HB3 -0.06 -0.00 -0.06 -0.04 1.41 1.25 2wv9A1 ILE 107 H -0.09 0.68 0.34 -0.55 8.25 8.63 2wv9A1 ILE 107 HA -0.07 0.17 1.02 -0.75 4.18 4.55 2wv9A1 ILE 107 HB -0.06 0.04 0.09 -0.04 1.89 1.92 2wv9A1 ILE 107 HG12 -0.04 -0.32 -0.18 -0.04 1.49 0.92 2wv9A1 ILE 107 HG13 -0.04 0.11 -0.68 -0.04 1.21 0.56 2wv9A1 ILE 107 HG23 -0.05 0.03 -0.09 -0.04 0.93 0.78 2wv9A1 ILE 107 HD13 -0.01 0.00 -0.07 -0.04 0.88 0.76 2wv9A1 ASN 108 H -0.10 0.13 0.23 -0.55 8.53 8.25 2wv9A1 ASN 108 HA -0.13 0.29 0.95 -0.75 4.76 5.11 2wv9A1 ASN 108 HB2 -0.16 -0.12 0.08 -0.04 2.88 2.65 2wv9A1 ASN 108 HB3 -0.23 0.07 -0.09 -0.04 2.79 2.50 2wv9A1 ASN 108 HD21 -0.11 0.17 -0.06 -0.04 7.03 6.99 2wv9A1 ASN 108 HD22 -0.23 -0.11 -0.05 -0.04 7.74 7.31 2wv9A1 VAL 109 H -0.13 0.61 0.31 -0.55 8.24 8.48 2wv9A1 VAL 109 HA -0.08 0.36 1.08 -0.75 4.13 4.73 2wv9A1 VAL 109 HB -0.06 -0.04 0.11 -0.04 2.12 2.08 2wv9A1 VAL 109 HG13 0.03 -0.01 -0.14 -0.04 0.97 0.81 2wv9A1 VAL 109 HG23 -0.00 -0.01 -0.21 -0.04 0.95 0.68 2wv9A1 GLN 110 H -0.10 0.32 0.27 -0.55 8.47 8.41 2wv9A1 GLN 110 HA -0.08 0.25 0.89 -0.75 4.36 4.66 2wv9A1 GLN 110 HB2 -0.22 0.05 0.11 -0.04 2.15 2.05 2wv9A1 GLN 110 HB3 -0.06 -0.06 0.17 -0.04 2.02 2.03 2wv9A1 GLN 110 HG2 0.05 -0.06 -0.11 -0.04 2.40 2.24 2wv9A1 GLN 110 HG3 0.05 0.17 -0.01 -0.04 2.39 2.55 2wv9A1 GLN 110 HE21 0.19 -0.04 -0.05 -0.04 6.97 7.03 2wv9A1 GLN 110 HE22 0.12 -0.02 -0.07 -0.04 7.69 7.68 2wv9A1 THR 111 H 0.01 0.50 0.39 -0.55 8.28 8.62 2wv9A1 THR 111 HA 0.01 0.12 0.51 -0.75 4.39 4.28 2wv9A1 THR 111 HB -0.01 -0.01 -0.02 -0.04 4.32 4.24 2wv9A1 THR 111 HG23 0.01 0.04 -0.05 -0.04 1.22 1.19 2wv9A1 LYS 112 H 0.01 0.19 0.13 -0.55 8.42 8.20 2wv9A1 LYS 112 HA 0.05 0.20 0.94 -0.75 4.32 4.75 2wv9A1 LYS 112 HB2 0.06 -0.05 0.02 -0.04 1.87 1.86 2wv9A1 LYS 112 HB3 0.04 -0.02 0.15 -0.04 1.79 1.92 2wv9A1 LYS 112 HG2 0.11 0.17 -0.11 -0.04 1.46 1.59 2wv9A1 LYS 112 HG3 0.14 -0.01 -0.09 -0.04 1.46 1.46 2wv9A1 LYS 112 HD2 0.07 -0.04 -0.04 -0.04 1.69 1.65 2wv9A1 LYS 112 HD3 0.06 -0.01 -0.02 -0.04 1.68 1.67 2wv9A1 LYS 112 HE2 0.10 0.01 -0.03 -0.04 2.99 3.04 2wv9A1 LYS 112 HE3 0.11 -0.00 -0.12 -0.04 2.99 2.94 2wv9A1 PRO 113 HA -0.20 0.09 0.61 -0.51 4.44 4.43 2wv9A1 PRO 113 HB2 -1.24 0.04 -0.01 -0.04 2.28 1.03 2wv9A1 PRO 113 HB3 -0.68 -0.07 -0.11 -0.04 2.02 1.13 2wv9A1 PRO 113 HG2 -1.33 0.06 0.02 -0.04 2.03 0.74 2wv9A1 PRO 113 HG3 -0.47 -0.03 -0.06 -0.04 2.03 1.43 2wv9A1 PRO 113 HD2 0.02 0.16 0.20 -0.04 3.68 4.02 2wv9A1 PRO 113 HD3 -0.09 0.24 0.22 -0.04 3.65 3.98 2wv9A1 GLY 114 H -0.20 0.71 0.35 -0.55 8.43 8.73 2wv9A1 GLY 114 HA2 0.01 0.17 0.79 -0.51 4.01 4.48 2wv9A1 GLY 114 HA3 -0.13 -0.02 0.39 -0.51 4.01 3.75 2wv9A1 ILE 115 H -0.13 0.21 0.14 -0.55 8.25 7.92 2wv9A1 ILE 115 HA -0.02 0.24 0.97 -0.75 4.18 4.61 2wv9A1 ILE 115 HB 0.02 -0.04 -0.00 -0.04 1.89 1.83 2wv9A1 ILE 115 HG12 0.21 0.05 -0.19 -0.04 1.49 1.52 2wv9A1 ILE 115 HG13 0.16 -0.14 -0.69 -0.04 1.21 0.49 2wv9A1 ILE 115 HG23 0.08 0.00 -0.22 -0.04 0.93 0.76 2wv9A1 ILE 115 HD13 0.06 0.00 -0.08 -0.04 0.88 0.83 2wv9A1 PHE 116 H 0.07 1.05 0.29 -0.55 8.34 9.20 2wv9A1 PHE 116 HA 0.01 0.12 0.87 -0.75 4.62 4.88 2wv9A1 PHE 116 HB2 0.01 0.05 0.08 -0.04 3.15 3.25 2wv9A1 PHE 116 HB3 0.00 -0.02 -0.10 -0.04 3.06 2.90 2wv9A1 PHE 116 HD2 -0.02 0.04 -0.13 -0.04 7.28 7.14 2wv9A1 PHE 116 HE2 -0.06 -0.01 -0.24 -0.04 7.38 7.03 2wv9A1 PHE 116 HZ -0.08 0.06 -0.12 -0.04 7.32 7.13 2wv9A1 LYS 117 H 0.18 0.17 0.04 -0.55 8.42 8.25 2wv9A1 LYS 117 HA 0.08 0.17 0.82 -0.75 4.32 4.64 2wv9A1 LYS 117 HB2 0.06 -0.05 0.19 -0.04 1.87 2.03 2wv9A1 LYS 117 HB3 0.04 0.08 0.10 -0.04 1.79 1.97 2wv9A1 LYS 117 HG2 0.05 0.06 -0.04 -0.04 1.46 1.48 2wv9A1 LYS 117 HG3 0.06 -0.05 -0.13 -0.04 1.46 1.30 2wv9A1 LYS 117 HD2 0.04 -0.03 0.01 -0.04 1.69 1.67 2wv9A1 LYS 117 HD3 0.03 0.03 -0.00 -0.04 1.68 1.69 2wv9A1 LYS 117 HE2 0.03 0.02 -0.04 -0.04 2.99 2.96 2wv9A1 LYS 117 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.93 2wv9A1 THR 118 H 0.08 0.20 -0.02 -0.55 8.28 7.99 2wv9A1 THR 118 HA -0.01 0.12 0.53 -0.75 4.39 4.28 2wv9A1 THR 118 HB -0.00 -0.18 0.09 -0.04 4.32 4.19 2wv9A1 THR 118 HG23 0.01 -0.00 -0.12 -0.04 1.22 1.06 2wv9A1 ALA 119 H -0.06 0.07 0.09 -0.55 8.40 7.95 2wv9A1 ALA 119 HA -0.12 0.13 0.40 -0.75 4.34 3.99 2wv9A1 ALA 119 HB3 -0.26 -0.01 0.08 -0.04 1.41 1.18 2wv9A1 HIS 120 H -0.01 0.04 -0.17 -0.55 8.41 7.72 2wv9A1 HIS 120 HA 0.02 0.18 0.93 -0.75 4.63 5.00 2wv9A1 HIS 120 HB2 0.01 -0.03 0.12 -0.04 3.26 3.32 2wv9A1 HIS 120 HB3 0.01 0.03 0.04 -0.04 3.20 3.24 2wv9A1 HIS 120 HD2 -0.00 -0.02 -0.03 -0.04 6.97 6.88 2wv9A1 HIS 120 HE1 0.00 0.01 -0.03 -0.04 7.75 7.68 2wv9A1 GLY 121 H 0.07 0.19 -0.00 -0.55 8.43 8.14 2wv9A1 GLY 121 HA2 0.05 0.04 0.26 -0.51 4.01 3.85 2wv9A1 GLY 121 HA3 0.07 0.06 0.40 -0.51 4.01 4.03 2wv9A1 GLU 122 H 0.06 0.18 0.16 -0.55 8.60 8.46 2wv9A1 GLU 122 HA 0.08 0.13 0.96 -0.75 4.29 4.71 2wv9A1 GLU 122 HB2 0.06 -0.04 0.08 -0.04 2.09 2.15 2wv9A1 GLU 122 HB3 0.09 0.03 -0.01 -0.04 1.99 2.05 2wv9A1 GLU 122 HG2 0.05 0.04 -0.04 -0.04 2.34 2.36 2wv9A1 GLU 122 HG3 0.04 -0.06 -0.25 -0.04 2.34 2.03 2wv9A1 ILE 123 H 0.15 0.57 0.28 -0.55 8.25 8.70 2wv9A1 ILE 123 HA 0.15 0.18 0.94 -0.75 4.18 4.69 2wv9A1 ILE 123 HB 0.17 -0.09 0.07 -0.04 1.89 2.00 2wv9A1 ILE 123 HG12 0.10 0.08 0.02 -0.04 1.49 1.65 2wv9A1 ILE 123 HG13 0.10 0.01 -0.24 -0.04 1.21 1.04 2wv9A1 ILE 123 HG23 0.21 0.00 -0.11 -0.04 0.93 0.99 2wv9A1 ILE 123 HD13 0.05 -0.01 -0.02 -0.04 0.88 0.85 2wv9A1 GLY 124 H 0.17 0.17 0.17 -0.55 8.43 8.40 2wv9A1 GLY 124 HA2 0.11 0.20 0.54 -0.51 4.01 4.35 2wv9A1 GLY 124 HA3 0.04 0.02 0.28 -0.51 4.01 3.84 2wv9A1 ALA 125 H -0.28 0.41 0.10 -0.55 8.40 8.08 2wv9A1 ALA 125 HA -0.09 0.25 0.86 -0.75 4.34 4.60 2wv9A1 ALA 125 HB3 -0.78 -0.03 -0.37 -0.04 1.41 0.19 2wv9A1 VAL 126 H -0.08 0.62 0.18 -0.55 8.24 8.41 2wv9A1 VAL 126 HA -0.12 0.08 0.78 -0.75 4.13 4.12 2wv9A1 VAL 126 HB 0.05 0.05 0.02 -0.04 2.12 2.20 2wv9A1 VAL 126 HG13 0.08 -0.02 -0.24 -0.04 0.97 0.75 2wv9A1 VAL 126 HG23 -0.12 -0.00 -0.18 -0.04 0.95 0.60 2wv9A1 SER 127 H -0.03 0.22 0.03 -0.55 8.46 8.13 2wv9A1 SER 127 HA 0.02 0.11 0.78 -0.75 4.49 4.64 2wv9A1 SER 127 HB2 0.01 0.01 0.12 -0.04 3.95 4.05 2wv9A1 SER 127 HB3 -0.03 -0.00 0.03 -0.04 3.93 3.89 2wv9A1 LEU 128 H 0.18 0.33 -0.10 -0.55 8.37 8.23 2wv9A1 LEU 128 HA 0.10 0.15 0.86 -0.75 4.35 4.70 2wv9A1 LEU 128 HB2 0.33 -0.03 -0.08 -0.04 1.64 1.82 2wv9A1 LEU 128 HB3 0.40 0.04 -0.16 -0.04 1.64 1.88 2wv9A1 LEU 128 HG 0.10 -0.11 -0.42 -0.04 1.64 1.17 2wv9A1 LEU 128 HD13 0.11 0.01 -0.15 -0.04 0.93 0.86 2wv9A1 LEU 128 HD23 0.09 0.06 -0.02 -0.04 0.89 0.98 2wv9A1 ASP 129 H -0.04 0.18 0.09 -0.55 8.40 8.08 2wv9A1 ASP 129 HA 0.40 0.13 0.78 -0.75 4.63 5.19 2wv9A1 ASP 129 HB2 0.06 0.01 0.05 -0.04 2.71 2.79 2wv9A1 ASP 129 HB3 -0.13 -0.01 0.12 -0.04 2.70 2.64 2wv9A1 TYR 130 H 0.37 0.29 0.15 -0.55 8.29 8.54 2wv9A1 TYR 130 HA -0.01 0.17 0.75 -0.75 4.56 4.72 2wv9A1 TYR 130 HB2 -0.08 -0.00 -0.14 -0.04 3.06 2.80 2wv9A1 TYR 130 HB3 -0.06 0.05 -0.05 -0.04 2.98 2.88 2wv9A1 TYR 130 HD2 -0.12 -0.01 -0.23 -0.04 7.15 6.75 2wv9A1 TYR 130 HE2 -0.08 -0.03 -0.10 -0.04 6.85 6.60 2wv9A1 PRO 131 HA 0.02 0.08 0.51 -0.51 4.44 4.54 2wv9A1 PRO 131 HB2 0.04 -0.03 0.04 -0.04 2.28 2.30 2wv9A1 PRO 131 HB3 0.02 0.07 0.13 -0.04 2.02 2.19 2wv9A1 PRO 131 HG2 0.09 -0.02 0.12 -0.04 2.03 2.18 2wv9A1 PRO 131 HG3 0.06 0.11 0.09 -0.04 2.03 2.24 2wv9A1 PRO 131 HD2 0.28 0.10 0.21 -0.04 3.68 4.23 2wv9A1 PRO 131 HD3 0.05 0.17 0.14 -0.04 3.65 3.97 2wv9A1 ILE 132 H 0.05 0.15 0.19 -0.55 8.25 8.08 2wv9A1 ILE 132 HA 0.14 0.08 0.18 -0.75 4.18 3.83 2wv9A1 ILE 132 HB 0.04 0.03 0.10 -0.04 1.89 2.02 2wv9A1 ILE 132 HG12 0.07 0.02 0.09 -0.04 1.49 1.63 2wv9A1 ILE 132 HG13 0.02 -0.06 0.16 -0.04 1.21 1.29 2wv9A1 ILE 132 HG23 0.05 0.03 0.04 -0.04 0.93 1.01 2wv9A1 ILE 132 HD13 0.01 0.01 0.04 -0.04 0.88 0.90 2wv9A1 GLY 133 H 0.07 -0.01 -0.36 -0.55 8.43 7.58 2wv9A1 GLY 133 HA2 0.08 0.23 0.30 -0.51 4.01 4.11 2wv9A1 GLY 133 HA3 0.06 -0.01 0.26 -0.51 4.01 3.81 2wv9A1 THR 134 H 0.10 0.63 -0.12 -0.55 8.28 8.34 2wv9A1 THR 134 HA -0.01 0.27 0.43 -0.75 4.39 4.33 2wv9A1 THR 134 HB 0.02 0.00 -0.17 -0.04 4.32 4.14 2wv9A1 THR 134 HG23 -0.40 -0.03 -0.18 -0.04 1.22 0.57 2wv9A1 SER 135 H 0.16 0.34 -0.47 -0.55 8.46 7.94 2wv9A1 SER 135 HA 0.36 0.04 0.38 -0.75 4.49 4.52 2wv9A1 SER 135 HB2 0.11 0.21 0.21 -0.04 3.95 4.45 2wv9A1 SER 135 HB3 0.10 -0.09 0.07 -0.04 3.93 3.98 2wv9A1 GLY 136 H 0.21 0.72 0.42 -0.55 8.43 9.23 2wv9A1 GLY 136 HA2 0.14 -0.10 0.39 -0.51 4.01 3.94 2wv9A1 GLY 136 HA3 0.11 0.36 1.00 -0.51 4.01 4.97 2wv9A1 SER 137 H 0.11 0.42 0.10 -0.55 8.46 8.54 2wv9A1 SER 137 HA -0.00 0.08 0.49 -0.75 4.49 4.30 2wv9A1 SER 137 HB2 -0.10 -0.12 0.14 -0.04 3.95 3.83 2wv9A1 SER 137 HB3 -0.11 0.25 0.02 -0.04 3.93 4.05 2wv9A1 PRO 138 HA 0.03 0.16 0.60 -0.51 4.44 4.72 2wv9A1 PRO 138 HB2 -0.03 -0.01 -0.05 -0.04 2.28 2.15 2wv9A1 PRO 138 HB3 -0.04 0.03 0.08 -0.04 2.02 2.06 2wv9A1 PRO 138 HG2 -0.03 -0.03 0.10 -0.04 2.03 2.02 2wv9A1 PRO 138 HG3 -0.03 0.01 0.03 -0.04 2.03 2.00 2wv9A1 PRO 138 HD2 -0.04 0.20 0.28 -0.04 3.68 4.08 2wv9A1 PRO 138 HD3 -0.01 0.17 0.21 -0.04 3.65 3.98 2wv9A1 ILE 139 H 0.03 0.77 0.35 -0.55 8.25 8.85 2wv9A1 ILE 139 HA 0.01 0.20 0.94 -0.75 4.18 4.57 2wv9A1 ILE 139 HB 0.02 -0.02 -0.11 -0.04 1.89 1.74 2wv9A1 ILE 139 HG12 0.01 -0.03 -0.21 -0.04 1.49 1.23 2wv9A1 ILE 139 HG13 0.05 0.04 -0.45 -0.04 1.21 0.81 2wv9A1 ILE 139 HG23 -0.01 -0.02 -0.34 -0.04 0.93 0.52 2wv9A1 ILE 139 HD13 0.06 -0.02 -0.35 -0.04 0.88 0.53 2wv9A1 VAL 140 H 0.07 0.82 0.27 -0.55 8.24 8.85 2wv9A1 VAL 140 HA 0.07 0.19 1.03 -0.75 4.13 4.67 2wv9A1 VAL 140 HB 0.13 -0.06 -0.29 -0.04 2.12 1.86 2wv9A1 VAL 140 HG13 0.02 -0.04 -0.40 -0.04 0.97 0.51 2wv9A1 VAL 140 HG23 0.15 0.06 -0.12 -0.04 0.95 0.99 2wv9A1 ASN 141 H 0.08 0.81 0.17 -0.55 8.53 9.05 2wv9A1 ASN 141 HA 0.10 0.18 0.57 -0.75 4.76 4.85 2wv9A1 ASN 141 HB2 0.01 0.02 0.12 -0.04 2.88 2.98 2wv9A1 ASN 141 HB3 -0.07 -0.35 0.10 -0.04 2.79 2.44 2wv9A1 ASN 141 HD21 0.01 0.14 -0.05 -0.04 7.03 7.09 2wv9A1 ASN 141 HD22 -0.01 -0.08 -0.03 -0.04 7.74 7.57 2wv9A1 SER 142 H -0.32 0.22 0.17 -0.55 8.46 7.99 2wv9A1 SER 142 HA -2.10 0.14 0.58 -0.75 4.49 2.35 2wv9A1 SER 142 HB2 -0.72 0.03 0.03 -0.04 3.95 3.25 2wv9A1 SER 142 HB3 -0.89 0.10 0.13 -0.04 3.93 3.23 2wv9A1 ASN 143 H -0.18 0.04 -0.11 -0.55 8.53 7.74 2wv9A1 ASN 143 HA -0.12 0.20 0.54 -0.75 4.76 4.63 2wv9A1 ASN 143 HB2 -0.06 -0.08 0.02 -0.04 2.88 2.73 2wv9A1 ASN 143 HB3 -0.05 0.07 0.13 -0.04 2.79 2.89 2wv9A1 ASN 143 HD21 -0.08 0.05 0.01 -0.04 7.03 6.97 2wv9A1 ASN 143 HD22 -0.07 -0.00 0.02 -0.04 7.74 7.65 2wv9A1 GLY 144 H 0.02 0.24 -0.76 -0.55 8.43 7.39 2wv9A1 GLY 144 HA2 0.14 0.03 0.10 -0.51 4.01 3.77 2wv9A1 GLY 144 HA3 0.06 0.17 0.48 -0.51 4.01 4.21 2wv9A1 GLU 145 H -0.00 -0.07 -0.36 -0.55 8.60 7.63 2wv9A1 GLU 145 HA -0.05 0.14 0.41 -0.75 4.29 4.04 2wv9A1 GLU 145 HB2 -0.01 -0.10 -0.03 -0.04 2.09 1.91 2wv9A1 GLU 145 HB3 -0.04 0.08 -0.04 -0.04 1.99 1.94 2wv9A1 GLU 145 HG2 -0.03 0.06 -0.03 -0.04 2.34 2.31 2wv9A1 GLU 145 HG3 -0.02 0.03 -0.15 -0.04 2.34 2.16 2wv9A1 ILE 146 H -0.14 0.14 0.15 -0.55 8.25 7.86 2wv9A1 ILE 146 HA -0.02 0.21 0.68 -0.75 4.18 4.30 2wv9A1 ILE 146 HB -0.22 -0.06 0.16 -0.04 1.89 1.74 2wv9A1 ILE 146 HG12 -0.08 0.04 -0.10 -0.04 1.49 1.31 2wv9A1 ILE 146 HG13 -0.13 -0.01 -0.01 -0.04 1.21 1.02 2wv9A1 ILE 146 HG23 -0.08 -0.00 -0.05 -0.04 0.93 0.76 2wv9A1 ILE 146 HD13 -0.22 0.00 -0.03 -0.04 0.88 0.58 2wv9A1 ILE 147 H 0.04 0.74 0.35 -0.55 8.25 8.84 2wv9A1 ILE 147 HA 0.06 0.40 0.76 -0.75 4.18 4.65 2wv9A1 ILE 147 HB 0.18 -0.10 -0.04 -0.04 1.89 1.88 2wv9A1 ILE 147 HG12 0.15 -0.06 -0.28 -0.04 1.49 1.25 2wv9A1 ILE 147 HG13 0.08 0.29 -0.16 -0.04 1.21 1.38 2wv9A1 ILE 147 HG23 0.10 -0.02 -0.50 -0.04 0.93 0.46 2wv9A1 ILE 147 HD13 0.05 -0.02 -0.21 -0.04 0.88 0.65 2wv9A1 GLY 148 H 0.04 0.14 0.03 -0.55 8.43 8.09 2wv9A1 GLY 148 HA2 0.15 0.10 0.19 -0.51 4.01 3.94 2wv9A1 GLY 148 HA3 0.10 0.12 0.54 -0.51 4.01 4.25 2wv9A1 LEU 149 H 0.14 0.47 0.21 -0.55 8.37 8.64 2wv9A1 LEU 149 HA 0.09 0.19 0.90 -0.75 4.35 4.79 2wv9A1 LEU 149 HB2 0.18 -0.02 0.01 -0.04 1.64 1.77 2wv9A1 LEU 149 HB3 0.14 0.05 -0.09 -0.04 1.64 1.71 2wv9A1 LEU 149 HG 0.26 -0.03 -0.14 -0.04 1.64 1.68 2wv9A1 LEU 149 HD13 0.28 0.02 -0.10 -0.04 0.93 1.08 2wv9A1 LEU 149 HD23 0.02 0.08 -0.16 -0.04 0.89 0.78 2wv9A1 TYR 150 H 0.18 0.76 0.09 -0.55 8.29 8.77 2wv9A1 TYR 150 HA 0.02 0.04 0.51 -0.75 4.56 4.38 2wv9A1 TYR 150 HB2 -0.01 0.04 0.05 -0.04 3.06 3.10 2wv9A1 TYR 150 HB3 0.00 -0.09 0.23 -0.04 2.98 3.08 2wv9A1 TYR 150 HD2 0.03 -0.07 -0.21 -0.04 7.15 6.86 2wv9A1 TYR 150 HE2 0.16 -0.00 -0.13 -0.04 6.85 6.83 2wv9A1 GLY 151 H -0.30 0.29 0.21 -0.55 8.43 8.09 2wv9A1 GLY 151 HA2 -0.06 0.11 0.91 -0.51 4.01 4.46 2wv9A1 GLY 151 HA3 -0.08 0.08 0.39 -0.51 4.01 3.89 2wv9A1 ASN 152 H -0.09 0.12 0.21 -0.55 8.53 8.22 2wv9A1 ASN 152 HA -0.12 0.05 0.63 -0.75 4.76 4.57 2wv9A1 ASN 152 HB2 -0.11 0.03 0.16 -0.04 2.88 2.91 2wv9A1 ASN 152 HB3 -0.12 0.04 0.08 -0.04 2.79 2.76 2wv9A1 ASN 152 HD21 -0.82 -0.00 0.04 -0.04 7.03 6.21 2wv9A1 ASN 152 HD22 -0.35 0.03 0.04 -0.04 7.74 7.42 2wv9A1 GLY 153 H -0.20 0.06 0.11 -0.55 8.43 7.86 2wv9A1 GLY 153 HA2 -0.23 0.09 0.66 -0.51 4.01 4.02 2wv9A1 GLY 153 HA3 -0.45 -0.00 0.25 -0.51 4.01 3.30 2wv9A1 VAL 154 H -0.17 0.28 0.17 -0.55 8.24 7.97 2wv9A1 VAL 154 HA -0.11 0.16 0.75 -0.75 4.13 4.17 2wv9A1 VAL 154 HB -0.14 -0.05 -0.01 -0.04 2.12 1.87 2wv9A1 VAL 154 HG13 -0.11 0.02 -0.12 -0.04 0.97 0.72 2wv9A1 VAL 154 HG23 -0.48 0.03 -0.18 -0.04 0.95 0.28 2wv9A1 ILE 155 H -0.02 0.17 0.05 -0.55 8.25 7.89 2wv9A1 ILE 155 HA 0.06 0.10 0.60 -0.75 4.18 4.19 2wv9A1 ILE 155 HB 0.01 -0.01 0.19 -0.04 1.89 2.04 2wv9A1 ILE 155 HG12 0.05 0.02 -0.00 -0.04 1.49 1.53 2wv9A1 ILE 155 HG13 0.01 -0.07 0.04 -0.04 1.21 1.15 2wv9A1 ILE 155 HG23 0.03 0.02 -0.03 -0.04 0.93 0.91 2wv9A1 ILE 155 HD13 0.01 0.01 0.02 -0.04 0.88 0.88 2wv9A1 LEU 156 H 0.05 0.27 0.18 -0.55 8.37 8.32 2wv9A1 LEU 156 HA 0.02 0.13 0.23 -0.75 4.35 3.98 2wv9A1 LEU 156 HB2 0.06 0.00 -0.02 -0.04 1.64 1.64 2wv9A1 LEU 156 HB3 0.05 -0.12 0.07 -0.04 1.64 1.60 2wv9A1 LEU 156 HG 0.03 0.13 -0.16 -0.04 1.64 1.60 2wv9A1 LEU 156 HD13 0.18 -0.02 -0.04 -0.04 0.93 1.01 2wv9A1 LEU 156 HD23 0.05 0.01 -0.11 -0.04 0.89 0.80 2wv9A1 GLY 157 H 0.03 0.09 0.06 -0.55 8.43 8.07 2wv9A1 GLY 157 HA2 0.02 0.00 0.33 -0.51 4.01 3.85 2wv9A1 GLY 157 HA3 0.03 0.04 0.29 -0.51 4.01 3.85 2wv9A1 ASN 158 H 0.02 0.08 0.13 -0.55 8.53 8.21 2wv9A1 ASN 158 HA 0.02 0.02 0.38 -0.75 4.76 4.43 2wv9A1 ASN 158 HB2 0.01 0.02 0.04 -0.04 2.88 2.91 2wv9A1 ASN 158 HB3 0.01 0.02 0.03 -0.04 2.79 2.81 2wv9A1 ASN 158 HD21 0.01 -0.01 0.02 -0.04 7.03 7.01 2wv9A1 ASN 158 HD22 0.01 0.01 0.02 -0.04 7.74 7.74 2wv9A1 GLY 159 H 0.02 0.72 0.48 -0.55 8.43 9.10 2wv9A1 GLY 159 HA2 0.03 0.06 0.52 -0.51 4.01 4.11 2wv9A1 GLY 159 HA3 0.02 -0.04 0.36 -0.51 4.01 3.84 2wv9A1 ALA 160 H 0.06 0.30 0.05 -0.55 8.40 8.26 2wv9A1 ALA 160 HA 0.07 0.08 0.44 -0.75 4.34 4.17 2wv9A1 ALA 160 HB3 0.06 0.01 -0.08 -0.04 1.41 1.36 2wv9A1 TYR 161 H 0.14 0.21 -0.04 -0.55 8.29 8.05 2wv9A1 TYR 161 HA 0.04 0.16 0.59 -0.75 4.56 4.59 2wv9A1 TYR 161 HB2 0.02 0.05 -0.13 -0.04 3.06 2.96 2wv9A1 TYR 161 HB3 0.02 -0.03 0.07 -0.04 2.98 3.01 2wv9A1 TYR 161 HD2 0.05 0.02 -0.04 -0.04 7.15 7.13 2wv9A1 TYR 161 HE2 0.11 0.01 0.04 -0.04 6.85 6.96 2wv9A1 VAL 162 H -0.04 0.22 0.03 -0.55 8.24 7.90 2wv9A1 VAL 162 HA -0.03 0.18 0.98 -0.75 4.13 4.50 2wv9A1 VAL 162 HB 0.17 -0.03 0.03 -0.04 2.12 2.25 2wv9A1 VAL 162 HG13 -0.12 0.01 -0.48 -0.04 0.97 0.34 2wv9A1 VAL 162 HG23 0.01 -0.02 -0.15 -0.04 0.95 0.74 2wv9A1 SER 163 H -0.08 0.41 0.26 -0.55 8.46 8.50 2wv9A1 SER 163 HA -0.25 0.01 0.55 -0.75 4.49 4.05 2wv9A1 SER 163 HB2 -0.18 0.00 0.13 -0.04 3.95 3.87 2wv9A1 SER 163 HB3 -0.52 0.01 -0.07 -0.04 3.93 3.31 2wv9A1 ALA 164 H -0.11 0.32 -0.02 -0.55 8.40 8.05 2wv9A1 ALA 164 HA 0.13 0.19 0.76 -0.75 4.34 4.67 2wv9A1 ALA 164 HB3 0.02 0.03 0.02 -0.04 1.41 1.44 2wv9A1 ILE 165 H 0.03 0.40 0.06 -0.55 8.25 8.19 2wv9A1 ILE 165 HA 0.02 0.18 0.57 -0.75 4.18 4.19 2wv9A1 ILE 165 HB 0.02 -0.04 0.04 -0.04 1.89 1.87 2wv9A1 ILE 165 HG12 -0.08 0.01 -0.22 -0.04 1.49 1.16 2wv9A1 ILE 165 HG13 -0.09 -0.06 -0.24 -0.04 1.21 0.78 2wv9A1 ILE 165 HG23 0.04 0.00 -0.25 -0.04 0.93 0.68 2wv9A1 ILE 165 HD13 -0.34 -0.03 -0.19 -0.04 0.88 0.28 2wv9A1 VAL 166 H 0.06 0.60 0.29 -0.55 8.24 8.64 2wv9A1 VAL 166 HA 0.05 0.11 0.60 -0.75 4.13 4.14 2wv9A1 VAL 166 HB 0.12 -0.08 0.16 -0.04 2.12 2.28 2wv9A1 VAL 166 HG13 0.04 0.03 -0.08 -0.04 0.97 0.92 2wv9A1 VAL 166 HG23 0.03 0.03 0.04 -0.04 0.95 1.00 2wv9A1 GLN 167 H 0.06 0.41 0.30 -0.55 8.47 8.69 2wv9A1 GLN 167 HA 0.19 0.02 0.46 -0.75 4.36 4.29 2wv9A1 GLN 167 HB2 0.16 0.01 -0.27 -0.04 2.15 2.01 2wv9A1 GLN 167 HB3 0.12 0.04 -0.13 -0.04 2.02 2.01 2wv9A1 GLN 167 HG2 0.14 0.24 -0.13 -0.04 2.40 2.60 2wv9A1 GLN 167 HG3 0.14 -0.08 -0.08 -0.04 2.39 2.33 2wv9A1 GLN 167 HE21 0.23 -0.05 -0.74 -0.04 6.97 6.36 2wv9A1 GLN 167 HE22 0.16 -0.00 -0.34 -0.04 7.69 7.46 2wv9A1 GLY 168 H 0.14 0.14 -0.01 -0.55 8.43 8.16 2wv9A1 GLY 168 HA2 0.05 0.08 0.14 -0.51 4.01 3.77 2wv9A1 GLY 168 HA3 0.01 0.24 0.72 -0.51 4.01 4.47 2wv9A1 PRO 176 HA 0.07 -0.08 0.23 -0.51 4.44 4.16 2wv9A1 PRO 176 HB2 0.04 0.01 -0.08 -0.04 2.28 2.20 2wv9A1 PRO 176 HB3 0.03 -0.00 0.05 -0.04 2.02 2.05 2wv9A1 PRO 176 HG2 0.03 -0.04 0.04 -0.04 2.03 2.02 2wv9A1 PRO 176 HG3 0.02 -0.00 0.04 -0.04 2.03 2.05 2wv9A1 PRO 176 HD2 0.05 -0.02 0.11 -0.04 3.68 3.78 2wv9A1 PRO 176 HD3 0.03 -0.02 0.08 -0.04 3.65 3.71 2wv9A1 GLU 177 H 0.12 0.17 0.15 -0.55 8.60 8.49 2wv9A1 GLU 177 HA 0.06 0.21 0.71 -0.75 4.29 4.52 2wv9A1 GLU 177 HB2 0.10 -0.00 0.01 -0.04 2.09 2.16 2wv9A1 GLU 177 HB3 0.06 -0.09 0.09 -0.04 1.99 2.01 2wv9A1 GLU 177 HG2 0.05 0.09 0.09 -0.04 2.34 2.53 2wv9A1 GLU 177 HG3 0.07 0.03 -0.28 -0.04 2.34 2.12 2wv9A1 ALA 178 H 0.05 0.26 0.11 -0.55 8.40 8.27 2wv9A1 ALA 178 HA 0.09 0.04 0.53 -0.75 4.34 4.23 2wv9A1 ALA 178 HB3 0.03 0.06 -0.06 -0.04 1.41 1.40 2wv9A1 TYR 179 H 0.18 0.12 0.08 -0.55 8.29 8.13 2wv9A1 TYR 179 HA 0.01 0.07 0.62 -0.75 4.56 4.51 2wv9A1 TYR 179 HB2 0.01 -0.03 0.02 -0.04 3.06 3.03 2wv9A1 TYR 179 HB3 0.02 -0.00 0.08 -0.04 2.98 3.03 2wv9A1 TYR 179 HD2 0.01 -0.02 -0.11 -0.04 7.15 6.99 2wv9A1 TYR 179 HE2 0.00 0.03 -0.17 -0.04 6.85 6.67 2wv9A1 ASN 180 H -0.45 0.20 0.16 -0.55 8.53 7.90 2wv9A1 ASN 180 HA -0.40 0.27 0.85 -0.75 4.76 4.73 2wv9A1 ASN 180 HB2 -0.14 0.12 -0.16 -0.04 2.88 2.67 2wv9A1 ASN 180 HB3 -0.17 -0.11 0.02 -0.04 2.79 2.49 2wv9A1 ASN 180 HD21 -0.07 0.06 -0.01 -0.04 7.03 6.98 2wv9A1 ASN 180 HD22 -0.08 -0.01 -0.05 -0.04 7.74 7.56 2wv9A1 PRO 181 HA -0.16 0.14 0.53 -0.51 4.44 4.44 2wv9A1 PRO 181 HB2 -0.07 0.04 -0.03 -0.04 2.28 2.17 2wv9A1 PRO 181 HB3 -0.03 0.08 0.08 -0.04 2.02 2.11 2wv9A1 PRO 181 HG2 -0.06 0.07 0.05 -0.04 2.03 2.04 2wv9A1 PRO 181 HG3 -0.07 0.08 0.01 -0.04 2.03 2.01 2wv9A1 PRO 181 HD2 -0.16 0.10 0.20 -0.04 3.68 3.78 2wv9A1 PRO 181 HD3 -0.30 0.21 0.13 -0.04 3.65 3.65 2wv9A1 GLU 182 H -0.13 0.10 -0.26 -0.55 8.60 7.76 2wv9A1 GLU 182 HA -0.05 0.15 0.46 -0.75 4.29 4.10 2wv9A1 GLU 182 HB2 -0.07 -0.01 -0.02 -0.04 2.09 1.96 2wv9A1 GLU 182 HB3 -0.04 0.05 0.05 -0.04 1.99 2.00 2wv9A1 GLU 182 HG2 -0.06 -0.05 -0.01 -0.04 2.34 2.18 2wv9A1 GLU 182 HG3 -0.04 0.03 -0.00 -0.04 2.34 2.28 2wv9A1 MET 183 H -0.12 0.26 -0.49 -0.55 8.47 7.58 2wv9A1 MET 183 HA -0.03 0.08 0.44 -0.75 4.52 4.25 2wv9A1 MET 183 HB2 -0.02 0.15 0.05 -0.04 2.15 2.28 2wv9A1 MET 183 HB3 0.01 0.03 0.02 -0.04 2.03 2.05 2wv9A1 MET 183 HG2 -0.02 0.02 0.00 -0.04 2.63 2.58 2wv9A1 MET 183 HG3 -0.08 -0.12 -0.00 -0.04 2.56 2.32 2wv9A1 MET 183 HE3 -0.01 0.04 0.05 -0.04 2.10 2.13 2wv9A1 LEU 184 H -0.02 0.24 -0.47 -0.55 8.37 7.57 2wv9A1 LEU 184 HA 0.02 0.11 0.38 -0.75 4.35 4.11 2wv9A1 LEU 184 HB2 0.01 0.08 -0.02 -0.04 1.64 1.67 2wv9A1 LEU 184 HB3 0.02 -0.01 0.03 -0.04 1.64 1.65 2wv9A1 LEU 184 HG 0.05 -0.03 0.01 -0.04 1.64 1.63 2wv9A1 LEU 184 HD13 0.08 -0.00 -0.06 -0.04 0.93 0.91 2wv9A1 LEU 184 HD23 0.12 -0.01 -0.16 -0.04 0.89 0.80 2wv9A1 LYS 185 H -0.01 0.17 -0.52 -0.55 8.42 7.50 2wv9A1 LYS 185 HA -0.01 0.04 0.48 -0.75 4.32 4.09 2wv9A1 LYS 185 HB2 -0.01 0.07 0.03 -0.04 1.87 1.91 2wv9A1 LYS 185 HB3 -0.01 -0.09 0.01 -0.04 1.79 1.67 2wv9A1 LYS 185 HG2 -0.01 -0.01 0.03 -0.04 1.46 1.43 2wv9A1 LYS 185 HG3 -0.02 0.05 0.07 -0.04 1.46 1.52 2wv9A1 LYS 185 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.63 2wv9A1 LYS 185 HD3 -0.02 -0.05 0.02 -0.04 1.68 1.60 2wv9A1 LYS 185 HE2 -0.02 0.03 0.08 -0.04 2.99 3.04 2wv9A1 LYS 185 HE3 -0.02 0.01 0.02 -0.04 2.99 2.96 2wv9A1 LYS 186 H -0.00 0.07 0.12 -0.55 8.42 8.05 2wv9A1 LYS 186 HA 0.01 0.13 -0.07 -0.75 4.32 3.63 2wv9A1 LYS 186 HB2 -0.00 -0.14 0.12 -0.04 1.87 1.81 2wv9A1 LYS 186 HB3 0.01 0.19 -0.20 -0.04 1.79 1.74 2wv9A1 LYS 186 HG2 0.00 0.07 -0.10 -0.04 1.46 1.40 2wv9A1 LYS 186 HG3 -0.00 -0.10 0.06 -0.04 1.46 1.38 2wv9A1 LYS 186 HD2 0.00 -0.11 0.05 -0.04 1.69 1.59 2wv9A1 LYS 186 HD3 0.00 0.30 0.07 -0.04 1.68 2.01 2wv9A1 LYS 186 HE2 -0.00 -0.06 0.03 -0.04 2.99 2.91 2wv9A1 LYS 186 HE3 -0.00 -0.06 0.04 -0.04 2.99 2.92 2wv9A1 ARG 187 H -0.00 -0.05 -0.15 -0.55 8.46 7.71 2wv9A1 ARG 187 HA -0.00 0.40 0.57 -0.75 4.34 4.55 2wv9A1 ARG 187 HB2 -0.01 -0.10 0.05 -0.04 1.90 1.80 2wv9A1 ARG 187 HB3 -0.01 0.00 0.17 -0.04 1.80 1.92 2wv9A1 ARG 187 HG2 -0.00 0.11 -0.00 -0.04 1.67 1.74 2wv9A1 ARG 187 HG3 -0.00 -0.08 0.03 -0.04 1.67 1.57 2wv9A1 ARG 187 HD2 -0.00 -0.08 0.02 -0.04 3.22 3.12 2wv9A1 ARG 187 HD3 -0.00 0.03 0.02 -0.04 3.22 3.23 2wv9A1 GLN 188 H -0.01 0.49 -0.43 -0.55 8.47 7.97 2wv9A1 GLN 188 HA -0.02 0.02 0.59 -0.75 4.36 4.20 2wv9A1 GLN 188 HB2 -0.02 0.35 0.11 -0.04 2.15 2.55 2wv9A1 GLN 188 HB3 -0.02 -0.12 0.02 -0.04 2.02 1.86 2wv9A1 GLN 188 HG2 -0.01 -0.11 -0.14 -0.04 2.40 2.10 2wv9A1 GLN 188 HG3 -0.02 0.09 0.02 -0.04 2.39 2.44 2wv9A1 GLN 188 HE21 -0.01 -0.01 -0.10 -0.04 6.97 6.81 2wv9A1 GLN 188 HE22 -0.01 -0.08 -0.16 -0.04 7.69 7.40 2wv9A1 LEU 189 H -0.03 0.18 0.20 -0.55 8.37 8.17 2wv9A1 LEU 189 HA -0.14 0.29 0.88 -0.75 4.35 4.62 2wv9A1 LEU 189 HB2 -0.08 0.11 -0.08 -0.04 1.64 1.55 2wv9A1 LEU 189 HB3 -0.03 -0.04 0.15 -0.04 1.64 1.68 2wv9A1 LEU 189 HG -0.46 -0.01 -0.06 -0.04 1.64 1.06 2wv9A1 LEU 189 HD13 -0.09 0.00 -0.06 -0.04 0.93 0.74 2wv9A1 LEU 189 HD23 -0.04 -0.03 -0.23 -0.04 0.89 0.55 2wv9A1 THR 190 H -0.12 0.60 0.27 -0.55 8.28 8.48 2wv9A1 THR 190 HA -0.01 0.18 1.03 -0.75 4.39 4.83 2wv9A1 THR 190 HB 0.00 -0.05 0.06 -0.04 4.32 4.29 2wv9A1 THR 190 HG23 0.01 0.01 -0.03 -0.04 1.22 1.16 2wv9A1 VAL 191 H 0.04 0.22 0.14 -0.55 8.24 8.08 2wv9A1 VAL 191 HA 0.09 0.18 1.07 -0.75 4.13 4.72 2wv9A1 VAL 191 HB 0.17 -0.02 0.00 -0.04 2.12 2.23 2wv9A1 VAL 191 HG13 0.09 0.01 0.10 -0.04 0.97 1.12 2wv9A1 VAL 191 HG23 0.12 0.00 -0.13 -0.04 0.95 0.90 2wv9A1 LEU 192 H 0.06 0.46 0.23 -0.55 8.37 8.58 2wv9A1 LEU 192 HA 0.03 0.14 0.72 -0.75 4.35 4.48 2wv9A1 LEU 192 HB2 0.05 0.03 -0.00 -0.04 1.64 1.67 2wv9A1 LEU 192 HB3 0.02 -0.07 -0.20 -0.04 1.64 1.36 2wv9A1 LEU 192 HG 0.07 0.02 -0.15 -0.04 1.64 1.54 2wv9A1 LEU 192 HD13 0.07 0.01 -0.24 -0.04 0.93 0.72 2wv9A1 LEU 192 HD23 0.15 -0.02 -0.12 -0.04 0.89 0.86 2wv9A1 ASP 193 H -0.04 0.19 0.04 -0.55 8.40 8.05 2wv9A1 ASP 193 HA -0.09 0.20 0.74 -0.75 4.63 4.73 2wv9A1 ASP 193 HB2 -0.05 0.07 0.05 -0.04 2.71 2.74 2wv9A1 ASP 193 HB3 -0.17 -0.04 0.16 -0.04 2.70 2.61 2wv9A1 LEU 194 H -0.08 0.16 -0.22 -0.55 8.37 7.68 2wv9A1 LEU 194 HA -0.10 0.07 0.50 -0.75 4.35 4.06 2wv9A1 LEU 194 HB2 -0.04 -0.04 0.02 -0.04 1.64 1.55 2wv9A1 LEU 194 HB3 -0.03 -0.07 -0.12 -0.04 1.64 1.38 2wv9A1 LEU 194 HG -0.02 0.04 -0.05 -0.04 1.64 1.58 2wv9A1 LEU 194 HD13 -0.01 -0.01 -0.18 -0.04 0.93 0.69 2wv9A1 LEU 194 HD23 -0.03 0.04 -0.08 -0.04 0.89 0.79 2wv9A1 HIS 195 H 0.01 0.13 0.06 -0.55 8.41 8.07 2wv9A1 HIS 195 HA 0.01 0.19 0.33 -0.75 4.63 4.40 2wv9A1 HIS 195 HB2 0.01 -0.10 0.14 -0.04 3.26 3.28 2wv9A1 HIS 195 HB3 0.01 0.11 0.01 -0.04 3.20 3.29 2wv9A1 HIS 195 HD2 0.02 -0.09 0.06 -0.04 6.97 6.92 2wv9A1 HIS 195 HE1 0.01 0.02 -0.03 -0.04 7.75 7.70 2wv9A1 PRO 196 HA 0.03 -0.15 0.25 -0.51 4.44 4.06 2wv9A1 PRO 196 HB2 0.04 0.10 0.03 -0.04 2.28 2.40 2wv9A1 PRO 196 HB3 0.02 -0.02 0.08 -0.04 2.02 2.07 2wv9A1 PRO 196 HG2 0.02 0.12 0.10 -0.04 2.03 2.22 2wv9A1 PRO 196 HG3 0.00 -0.02 0.12 -0.04 2.03 2.09 2wv9A1 PRO 196 HD2 0.08 0.15 0.16 -0.04 3.68 4.02 2wv9A1 PRO 196 HD3 0.01 0.28 0.32 -0.04 3.65 4.22 2wv9A1 GLY 197 H 0.03 0.16 0.17 -0.55 8.43 8.23 2wv9A1 GLY 197 HA2 0.03 0.09 0.31 -0.51 4.01 3.93 2wv9A1 GLY 197 HA3 0.04 0.23 0.81 -0.51 4.01 4.57 2wv9A1 ALA 198 H 0.03 0.27 0.12 -0.55 8.40 8.27 2wv9A1 ALA 198 HA 0.02 0.18 0.76 -0.75 4.34 4.55 2wv9A1 ALA 198 HB3 0.02 0.04 0.09 -0.04 1.41 1.51 2wv9A1 GLY 199 H 0.04 0.10 -0.22 -0.55 8.43 7.80 2wv9A1 GLY 199 HA2 0.03 0.20 0.73 -0.51 4.01 4.45 2wv9A1 GLY 199 HA3 0.05 0.15 0.24 -0.51 4.01 3.94 2wv9A1 LYS 200 H 0.03 0.12 -0.19 -0.55 8.42 7.83 2wv9A1 LYS 200 HA 0.01 0.04 0.10 -0.75 4.32 3.72 2wv9A1 LYS 200 HB2 0.02 0.10 -0.63 -0.04 1.87 1.33 2wv9A1 LYS 200 HB3 0.01 -0.08 -0.02 -0.04 1.79 1.66 2wv9A1 LYS 200 HG2 -0.00 -0.00 -0.25 -0.04 1.46 1.16 2wv9A1 LYS 200 HG3 -0.01 -0.05 -0.21 -0.04 1.46 1.15 2wv9A1 LYS 200 HD2 -0.01 0.26 -0.16 -0.04 1.69 1.74 2wv9A1 LYS 200 HD3 0.00 -0.03 -0.07 -0.04 1.68 1.54 2wv9A1 LYS 200 HE2 -0.00 -0.05 -0.06 -0.04 2.99 2.84 2wv9A1 LYS 200 HE3 -0.01 -0.06 -0.08 -0.04 2.99 2.80 2wv9A1 THR 201 H 0.01 0.16 -0.08 -0.55 8.28 7.82 2wv9A1 THR 201 HA -0.01 0.08 0.63 -0.75 4.39 4.34 2wv9A1 THR 201 HB 0.01 0.06 -0.03 -0.04 4.32 4.31 2wv9A1 THR 201 HG23 0.00 0.02 -0.03 -0.04 1.22 1.18 2wv9A1 ARG 202 H 0.01 -0.01 -0.47 -0.55 8.46 7.43 2wv9A1 ARG 202 HA 0.01 0.19 0.48 -0.75 4.34 4.26 2wv9A1 ARG 202 HB2 0.01 0.24 -0.06 -0.04 1.90 2.05 2wv9A1 ARG 202 HB3 0.01 0.05 0.02 -0.04 1.80 1.83 2wv9A1 ARG 202 HG2 0.01 -0.20 -0.10 -0.04 1.67 1.35 2wv9A1 ARG 202 HG3 0.01 0.00 0.05 -0.04 1.67 1.70 2wv9A1 ARG 202 HD2 0.01 0.05 -0.01 -0.04 3.22 3.23 2wv9A1 ARG 202 HD3 0.01 0.03 -0.10 -0.04 3.22 3.12 2wv9A1 ARG 203 H -0.00 0.02 -0.19 -0.55 8.46 7.74 2wv9A1 ARG 203 HA -0.00 0.28 0.93 -0.75 4.34 4.79 2wv9A1 ARG 203 HB2 0.01 0.03 0.08 -0.04 1.90 1.98 2wv9A1 ARG 203 HB3 0.01 -0.01 -0.04 -0.04 1.80 1.71 2wv9A1 ARG 203 HG2 0.01 0.07 -0.05 -0.04 1.67 1.65 2wv9A1 ARG 203 HG3 0.01 -0.00 -0.23 -0.04 1.67 1.41 2wv9A1 ARG 203 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.17 2wv9A1 ARG 203 HD3 0.02 -0.01 -0.02 -0.04 3.22 3.16 2wv9A1 ILE 204 H -0.02 0.22 0.03 -0.55 8.25 7.93 2wv9A1 ILE 204 HA -0.11 0.08 0.35 -0.75 4.18 3.75 2wv9A1 ILE 204 HB -0.05 0.26 0.22 -0.04 1.89 2.28 2wv9A1 ILE 204 HG12 0.01 -0.03 0.01 -0.04 1.49 1.43 2wv9A1 ILE 204 HG13 0.00 0.06 0.10 -0.04 1.21 1.33 2wv9A1 ILE 204 HG23 -0.15 -0.03 -0.12 -0.04 0.93 0.59 2wv9A1 ILE 204 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.80 2wv9A1 LEU 205 H -0.06 0.20 -0.02 -0.55 8.37 7.94 2wv9A1 LEU 205 HA -0.11 0.01 0.36 -0.75 4.35 3.84 2wv9A1 LEU 205 HB2 -0.03 -0.06 0.04 -0.04 1.64 1.55 2wv9A1 LEU 205 HB3 -0.03 0.19 0.01 -0.04 1.64 1.78 2wv9A1 LEU 205 HG -0.03 0.03 -0.28 -0.04 1.64 1.32 2wv9A1 LEU 205 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.77 2wv9A1 LEU 205 HD23 0.00 0.01 -0.11 -0.04 0.89 0.76 2wv9A1 PRO 206 HA -0.02 0.05 0.36 -0.51 4.44 4.32 2wv9A1 PRO 206 HB2 -0.01 0.06 -0.09 -0.04 2.28 2.20 2wv9A1 PRO 206 HB3 -0.00 0.10 0.02 -0.04 2.02 2.10 2wv9A1 PRO 206 HG2 -0.01 0.33 -0.16 -0.04 2.03 2.15 2wv9A1 PRO 206 HG3 -0.00 0.14 -0.07 -0.04 2.03 2.06 2wv9A1 PRO 206 HD2 -0.03 -0.13 -0.87 -0.04 3.68 2.60 2wv9A1 PRO 206 HD3 -0.02 0.15 -0.19 -0.04 3.65 3.54 2wv9A1 GLN 207 H -0.08 0.39 -0.48 -0.55 8.47 7.75 2wv9A1 GLN 207 HA -0.01 0.03 0.46 -0.75 4.36 4.09 2wv9A1 GLN 207 HB2 -0.03 0.20 0.12 -0.04 2.15 2.40 2wv9A1 GLN 207 HB3 -0.17 0.06 0.07 -0.04 2.02 1.94 2wv9A1 GLN 207 HG2 0.10 -0.03 -0.04 -0.04 2.40 2.39 2wv9A1 GLN 207 HG3 0.12 -0.06 -0.07 -0.04 2.39 2.34 2wv9A1 GLN 207 HE21 0.04 0.01 -0.02 -0.04 6.97 6.96 2wv9A1 GLN 207 HE22 0.08 -0.04 -0.02 -0.04 7.69 7.68 2wv9A1 ILE 208 H -0.23 0.48 -0.10 -0.55 8.25 7.84 2wv9A1 ILE 208 HA -0.13 0.02 0.43 -0.75 4.18 3.74 2wv9A1 ILE 208 HB -0.14 0.12 0.11 -0.04 1.89 1.94 2wv9A1 ILE 208 HG12 -0.76 -0.05 -0.06 -0.04 1.49 0.58 2wv9A1 ILE 208 HG13 -0.67 0.26 0.01 -0.04 1.21 0.77 2wv9A1 ILE 208 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 2wv9A1 ILE 208 HD13 -0.17 -0.05 -0.15 -0.04 0.88 0.48 2wv9A1 ILE 209 H -0.06 0.53 -0.17 -0.55 8.25 8.00 2wv9A1 ILE 209 HA -0.02 0.01 0.37 -0.75 4.18 3.79 2wv9A1 ILE 209 HB -0.02 0.14 0.03 -0.04 1.89 2.00 2wv9A1 ILE 209 HG12 -0.04 0.26 -0.01 -0.04 1.49 1.67 2wv9A1 ILE 209 HG13 -0.02 0.00 -0.12 -0.04 1.21 1.03 2wv9A1 ILE 209 HG23 -0.02 -0.01 -0.11 -0.04 0.93 0.75 2wv9A1 ILE 209 HD13 -0.03 -0.03 -0.15 -0.04 0.88 0.63 2wv9A1 LYS 210 H -0.01 0.54 -0.17 -0.55 8.42 8.23 2wv9A1 LYS 210 HA 0.01 0.02 0.44 -0.75 4.32 4.03 2wv9A1 LYS 210 HB2 0.01 0.06 0.17 -0.04 1.87 2.07 2wv9A1 LYS 210 HB3 0.02 -0.06 -0.02 -0.04 1.79 1.69 2wv9A1 LYS 210 HG2 0.01 -0.05 0.03 -0.04 1.46 1.41 2wv9A1 LYS 210 HG3 0.00 0.11 0.05 -0.04 1.46 1.57 2wv9A1 LYS 210 HD2 0.01 0.02 -0.07 -0.04 1.69 1.60 2wv9A1 LYS 210 HD3 0.01 -0.03 -0.11 -0.04 1.68 1.51 2wv9A1 LYS 210 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.92 2wv9A1 LYS 210 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 2wv9A1 ASP 211 H 0.04 0.45 -0.33 -0.55 8.40 8.01 2wv9A1 ASP 211 HA 0.04 0.03 0.55 -0.75 4.63 4.50 2wv9A1 ASP 211 HB2 0.13 0.18 0.17 -0.04 2.71 3.14 2wv9A1 ASP 211 HB3 0.09 -0.05 -0.01 -0.04 2.70 2.69 2wv9A1 ALA 212 H 0.03 0.51 -0.08 -0.55 8.40 8.31 2wv9A1 ALA 212 HA 0.02 0.02 0.31 -0.75 4.34 3.93 2wv9A1 ALA 212 HB3 0.00 0.03 0.04 -0.04 1.41 1.45 2wv9A1 ILE 213 H 0.01 0.53 -0.19 -0.55 8.25 8.05 2wv9A1 ILE 213 HA -0.00 0.07 0.51 -0.75 4.18 4.00 2wv9A1 ILE 213 HB 0.00 0.09 0.10 -0.04 1.89 2.03 2wv9A1 ILE 213 HG12 -0.01 -0.08 0.04 -0.04 1.49 1.40 2wv9A1 ILE 213 HG13 -0.01 0.06 0.05 -0.04 1.21 1.28 2wv9A1 ILE 213 HG23 0.00 -0.02 -0.04 -0.04 0.93 0.83 2wv9A1 ILE 213 HD13 -0.01 -0.01 -0.05 -0.04 0.88 0.77 2wv9A1 GLN 214 H 0.01 0.33 -0.25 -0.55 8.47 8.01 2wv9A1 GLN 214 HA 0.01 0.04 0.54 -0.75 4.36 4.19 2wv9A1 GLN 214 HB2 0.02 0.13 0.24 -0.04 2.15 2.49 2wv9A1 GLN 214 HB3 0.01 -0.07 0.01 -0.04 2.02 1.94 2wv9A1 GLN 214 HG2 0.01 -0.07 0.06 -0.04 2.40 2.37 2wv9A1 GLN 214 HG3 0.01 0.11 0.11 -0.04 2.39 2.57 2wv9A1 GLN 214 HE21 0.01 -0.05 -0.00 -0.04 6.97 6.89 2wv9A1 GLN 214 HE22 0.01 -0.02 0.01 -0.04 7.69 7.65 2wv9A1 LYS 215 H 0.01 0.64 -0.04 -0.55 8.42 8.48 2wv9A1 LYS 215 HA 0.00 0.04 0.55 -0.75 4.32 4.15 2wv9A1 LYS 215 HB2 0.01 0.04 0.04 -0.04 1.87 1.92 2wv9A1 LYS 215 HB3 0.00 -0.02 0.06 -0.04 1.79 1.79 2wv9A1 LYS 215 HG2 0.00 -0.04 0.00 -0.04 1.46 1.38 2wv9A1 LYS 215 HG3 0.01 -0.00 -0.01 -0.04 1.46 1.42 2wv9A1 LYS 215 HD2 0.02 -0.02 -0.13 -0.04 1.69 1.52 2wv9A1 LYS 215 HD3 0.01 0.02 -0.07 -0.04 1.68 1.59 2wv9A1 LYS 215 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.87 2wv9A1 LYS 215 HE3 0.00 0.07 -0.01 -0.04 2.99 3.01 2wv9A1 ARG 216 H 0.00 0.09 -1.01 -0.55 8.46 6.99 2wv9A1 ARG 216 HA -0.00 0.08 0.27 -0.75 4.34 3.93 2wv9A1 ARG 216 HB2 -0.01 0.07 0.04 -0.04 1.90 1.96 2wv9A1 ARG 216 HB3 -0.01 -0.09 0.13 -0.04 1.80 1.80 2wv9A1 ARG 216 HG2 -0.00 0.18 -0.36 -0.04 1.67 1.44 2wv9A1 ARG 216 HG3 -0.00 -0.10 -0.08 -0.04 1.67 1.45 2wv9A1 ARG 216 HD2 -0.00 -0.11 0.03 -0.04 3.22 3.10 2wv9A1 ARG 216 HD3 -0.00 0.32 0.11 -0.04 3.22 3.61 2wv9A1 LEU 217 H -0.00 0.66 -0.01 -0.55 8.37 8.47 2wv9A1 LEU 217 HA -0.02 0.13 0.74 -0.75 4.35 4.45 2wv9A1 LEU 217 HB2 -0.01 -0.10 -0.08 -0.04 1.64 1.41 2wv9A1 LEU 217 HB3 -0.02 -0.04 -0.07 -0.04 1.64 1.48 2wv9A1 LEU 217 HG -0.00 -0.01 -0.25 -0.04 1.64 1.34 2wv9A1 LEU 217 HD13 0.00 -0.02 -0.09 -0.04 0.93 0.78 2wv9A1 LEU 217 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.76 2wv9A1 ARG 218 H -0.03 0.16 0.22 -0.55 8.46 8.25 2wv9A1 ARG 218 HA -0.00 0.24 0.84 -0.75 4.34 4.66 2wv9A1 ARG 218 HB2 -0.07 0.01 0.16 -0.04 1.90 1.96 2wv9A1 ARG 218 HB3 -0.10 -0.00 0.26 -0.04 1.80 1.91 2wv9A1 ARG 218 HG2 -0.13 -0.06 -0.20 -0.04 1.67 1.24 2wv9A1 ARG 218 HG3 -0.02 0.22 0.13 -0.04 1.67 1.95 2wv9A1 ARG 218 HD2 -0.13 0.00 0.00 -0.04 3.22 3.05 2wv9A1 ARG 218 HD3 -0.32 -0.03 -0.13 -0.04 3.22 2.70 2wv9A1 THR 219 H 0.04 0.45 0.34 -0.55 8.28 8.57 2wv9A1 THR 219 HA -0.06 0.20 0.76 -0.75 4.39 4.54 2wv9A1 THR 219 HB -0.03 -0.10 0.06 -0.04 4.32 4.22 2wv9A1 THR 219 HG23 -0.05 -0.03 -0.27 -0.04 1.22 0.83 2wv9A1 ALA 220 H -0.31 0.78 0.34 -0.55 8.40 8.66 2wv9A1 ALA 220 HA -0.36 0.21 1.01 -0.75 4.34 4.44 2wv9A1 ALA 220 HB3 -0.94 0.00 0.12 -0.04 1.41 0.55 2wv9A1 VAL 221 H -0.10 0.52 0.19 -0.55 8.24 8.31 2wv9A1 VAL 221 HA 0.00 0.25 1.03 -0.75 4.13 4.66 2wv9A1 VAL 221 HB -0.02 -0.01 -0.05 -0.04 2.12 1.99 2wv9A1 VAL 221 HG13 -0.04 -0.01 -0.06 -0.04 0.97 0.82 2wv9A1 VAL 221 HG23 0.01 -0.03 -0.18 -0.04 0.95 0.71 2wv9A1 LEU 222 H 0.04 0.44 0.30 -0.55 8.37 8.61 2wv9A1 LEU 222 HA 0.07 0.30 0.89 -0.75 4.35 4.85 2wv9A1 LEU 222 HB2 -0.02 -0.07 0.23 -0.04 1.64 1.75 2wv9A1 LEU 222 HB3 0.07 -0.07 -0.14 -0.04 1.64 1.45 2wv9A1 LEU 222 HG 0.02 0.01 -0.42 -0.04 1.64 1.22 2wv9A1 LEU 222 HD13 0.01 0.00 -0.10 -0.04 0.93 0.80 2wv9A1 LEU 222 HD23 0.01 -0.00 -0.16 -0.04 0.89 0.69 2wv9A1 ALA 223 H 0.09 0.74 0.37 -0.55 8.40 9.05 2wv9A1 ALA 223 HA 0.02 0.19 0.85 -0.75 4.34 4.64 2wv9A1 ALA 223 HB3 -0.01 -0.02 -0.05 -0.04 1.41 1.30 2wv9A1 PRO 224 HA -0.91 0.02 0.57 -0.51 4.44 3.61 2wv9A1 PRO 224 HB2 -0.84 -0.01 0.03 -0.04 2.28 1.42 2wv9A1 PRO 224 HB3 -0.77 0.13 0.18 -0.04 2.02 1.52 2wv9A1 PRO 224 HG2 -0.35 -0.04 0.07 -0.04 2.03 1.67 2wv9A1 PRO 224 HG3 -0.34 0.04 0.00 -0.04 2.03 1.69 2wv9A1 PRO 224 HD2 -0.14 0.02 0.20 -0.04 3.68 3.72 2wv9A1 PRO 224 HD3 -0.15 0.42 0.14 -0.04 3.65 4.02 2wv9A1 THR 225 H -0.21 0.17 -0.03 -0.55 8.28 7.66 2wv9A1 THR 225 HA -0.13 0.23 0.85 -0.75 4.39 4.58 2wv9A1 THR 225 HB -0.18 -0.12 0.15 -0.04 4.32 4.13 2wv9A1 THR 225 HG23 -0.42 0.03 -0.11 -0.04 1.22 0.68 2wv9A1 ARG 226 H -0.06 0.20 0.16 -0.55 8.46 8.21 2wv9A1 ARG 226 HA -0.01 0.15 0.44 -0.75 4.34 4.16 2wv9A1 ARG 226 HB2 -0.00 -0.07 0.15 -0.04 1.90 1.93 2wv9A1 ARG 226 HB3 -0.00 0.12 -0.01 -0.04 1.80 1.87 2wv9A1 ARG 226 HG2 -0.01 0.11 0.01 -0.04 1.67 1.74 2wv9A1 ARG 226 HG3 -0.02 -0.09 0.07 -0.04 1.67 1.59 2wv9A1 ARG 226 HD2 -0.01 -0.07 0.04 -0.04 3.22 3.14 2wv9A1 ARG 226 HD3 -0.00 0.04 0.00 -0.04 3.22 3.22 2wv9A1 VAL 227 H -0.01 0.04 -0.12 -0.55 8.24 7.61 2wv9A1 VAL 227 HA 0.02 0.16 0.39 -0.75 4.13 3.95 2wv9A1 VAL 227 HB 0.05 -0.06 0.06 -0.04 2.12 2.13 2wv9A1 VAL 227 HG13 0.04 0.04 -0.14 -0.04 0.97 0.87 2wv9A1 VAL 227 HG23 0.09 0.01 -0.00 -0.04 0.95 1.01 2wv9A1 VAL 228 H -0.07 0.04 -0.21 -0.55 8.24 7.46 2wv9A1 VAL 228 HA -0.02 0.12 0.41 -0.75 4.13 3.88 2wv9A1 VAL 228 HB -0.09 -0.05 0.09 -0.04 2.12 2.02 2wv9A1 VAL 228 HG13 -0.04 0.02 -0.04 -0.04 0.97 0.87 2wv9A1 VAL 228 HG23 -0.14 0.01 0.03 -0.04 0.95 0.81 2wv9A1 ALA 229 H -0.02 0.30 -0.31 -0.55 8.40 7.82 2wv9A1 ALA 229 HA 0.04 0.03 0.38 -0.75 4.34 4.04 2wv9A1 ALA 229 HB3 0.03 0.06 0.02 -0.04 1.41 1.47 2wv9A1 ALA 230 H -0.01 0.37 -0.27 -0.55 8.40 7.95 2wv9A1 ALA 230 HA -0.07 0.10 0.58 -0.75 4.34 4.19 2wv9A1 ALA 230 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 2wv9A1 GLU 231 H 0.00 0.37 -0.10 -0.55 8.60 8.33 2wv9A1 GLU 231 HA 0.01 0.07 0.57 -0.75 4.29 4.18 2wv9A1 GLU 231 HB2 0.01 0.08 0.16 -0.04 2.09 2.30 2wv9A1 GLU 231 HB3 0.01 -0.04 0.00 -0.04 1.99 1.93 2wv9A1 GLU 231 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 2wv9A1 GLU 231 HG3 0.03 0.05 -0.03 -0.04 2.34 2.34 2wv9A1 MET 232 H 0.03 0.48 -0.22 -0.55 8.47 8.21 2wv9A1 MET 232 HA 0.05 0.03 0.48 -0.75 4.52 4.32 2wv9A1 MET 232 HB2 0.09 0.13 0.11 -0.04 2.15 2.43 2wv9A1 MET 232 HB3 0.12 -0.00 -0.08 -0.04 2.03 2.02 2wv9A1 MET 232 HG2 0.03 -0.03 -0.07 -0.04 2.63 2.53 2wv9A1 MET 232 HG3 0.03 0.04 -0.05 -0.04 2.56 2.54 2wv9A1 MET 232 HE3 0.02 0.00 -0.21 -0.04 2.10 1.87 2wv9A1 ALA 233 H 0.01 0.22 -0.41 -0.55 8.40 7.66 2wv9A1 ALA 233 HA 0.08 0.07 0.38 -0.75 4.34 4.11 2wv9A1 ALA 233 HB3 -0.36 0.05 0.09 -0.04 1.41 1.16 2wv9A1 GLU 234 H -0.01 0.28 -0.28 -0.55 8.60 8.04 2wv9A1 GLU 234 HA -0.01 0.07 0.50 -0.75 4.29 4.10 2wv9A1 GLU 234 HB2 -0.01 0.01 0.10 -0.04 2.09 2.16 2wv9A1 GLU 234 HB3 0.00 0.06 0.11 -0.04 1.99 2.12 2wv9A1 GLU 234 HG2 0.01 0.02 -0.12 -0.04 2.34 2.20 2wv9A1 GLU 234 HG3 -0.00 -0.02 0.04 -0.04 2.34 2.31 2wv9A1 ALA 235 H 0.03 0.36 -0.18 -0.55 8.40 8.07 2wv9A1 ALA 235 HA 0.02 0.06 0.40 -0.75 4.34 4.07 2wv9A1 ALA 235 HB3 0.02 0.00 0.06 -0.04 1.41 1.45 2wv9A1 LEU 236 H 0.07 0.29 -0.50 -0.55 8.37 7.69 2wv9A1 LEU 236 HA 0.04 0.19 0.75 -0.75 4.35 4.57 2wv9A1 LEU 236 HB2 0.13 0.10 0.02 -0.04 1.64 1.85 2wv9A1 LEU 236 HB3 0.04 -0.06 0.04 -0.04 1.64 1.62 2wv9A1 LEU 236 HG 0.05 -0.02 -0.18 -0.04 1.64 1.44 2wv9A1 LEU 236 HD13 0.03 -0.03 -0.14 -0.04 0.93 0.75 2wv9A1 LEU 236 HD23 0.00 0.00 -0.23 -0.04 0.89 0.62 2wv9A1 ARG 237 H 0.04 0.24 -0.47 -0.55 8.46 7.72 2wv9A1 ARG 237 HA 0.07 0.04 0.57 -0.75 4.34 4.26 2wv9A1 ARG 237 HB2 0.03 0.05 0.06 -0.04 1.90 2.00 2wv9A1 ARG 237 HB3 0.03 -0.09 0.00 -0.04 1.80 1.71 2wv9A1 ARG 237 HG2 0.03 -0.03 0.07 -0.04 1.67 1.70 2wv9A1 ARG 237 HG3 0.03 0.20 0.13 -0.04 1.67 1.98 2wv9A1 ARG 237 HD2 0.01 -0.00 0.05 -0.04 3.22 3.24 2wv9A1 ARG 237 HD3 0.01 -0.08 0.03 -0.04 3.22 3.14 2wv9A1 GLY 238 H 0.05 0.10 0.17 -0.55 8.43 8.20 2wv9A1 GLY 238 HA2 0.03 -0.04 0.30 -0.51 4.01 3.78 2wv9A1 GLY 238 HA3 0.02 0.07 0.47 -0.51 4.01 4.06 2wv9A1 LEU 239 H 0.04 0.23 -0.02 -0.55 8.37 8.08 2wv9A1 LEU 239 HA 0.01 0.14 0.61 -0.75 4.35 4.36 2wv9A1 LEU 239 HB2 0.02 0.13 -0.17 -0.04 1.64 1.58 2wv9A1 LEU 239 HB3 0.00 -0.00 -0.13 -0.04 1.64 1.47 2wv9A1 LEU 239 HG 0.02 0.12 -0.58 -0.04 1.64 1.16 2wv9A1 LEU 239 HD13 0.01 -0.02 -0.14 -0.04 0.93 0.73 2wv9A1 LEU 239 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.83 2wv9A1 PRO 240 HA 0.01 0.00 0.54 -0.51 4.44 4.48 2wv9A1 PRO 240 HB2 -0.01 -0.10 0.11 -0.04 2.28 2.24 2wv9A1 PRO 240 HB3 0.01 0.01 0.10 -0.04 2.02 2.09 2wv9A1 PRO 240 HG2 -0.01 0.04 0.15 -0.04 2.03 2.16 2wv9A1 PRO 240 HG3 0.00 0.07 0.08 -0.04 2.03 2.14 2wv9A1 PRO 240 HD2 0.00 0.15 0.18 -0.04 3.68 3.97 2wv9A1 PRO 240 HD3 0.01 0.13 0.10 -0.04 3.65 3.84 2wv9A1 VAL 241 H -0.02 0.23 0.30 -0.55 8.24 8.20 2wv9A1 VAL 241 HA -0.12 0.13 0.78 -0.75 4.13 4.16 2wv9A1 VAL 241 HB -0.11 0.06 -0.36 -0.04 2.12 1.67 2wv9A1 VAL 241 HG13 -0.12 0.09 -0.03 -0.04 0.97 0.87 2wv9A1 VAL 241 HG23 -0.41 -0.02 -0.24 -0.04 0.95 0.24 2wv9A1 ARG 242 H -0.18 0.93 0.37 -0.55 8.46 9.03 2wv9A1 ARG 242 HA -0.06 0.11 0.88 -0.75 4.34 4.51 2wv9A1 ARG 242 HB2 -0.08 -0.08 -0.02 -0.04 1.90 1.68 2wv9A1 ARG 242 HB3 -0.10 0.10 0.09 -0.04 1.80 1.86 2wv9A1 ARG 242 HG2 -0.16 0.03 -0.12 -0.04 1.67 1.39 2wv9A1 ARG 242 HG3 -0.06 -0.03 -0.44 -0.04 1.67 1.10 2wv9A1 ARG 242 HD2 0.05 0.02 -0.03 -0.04 3.22 3.22 2wv9A1 ARG 242 HD3 -0.18 -0.10 -0.01 -0.04 3.22 2.88 2wv9A1 TYR 243 H 0.13 0.22 0.10 -0.55 8.29 8.19 2wv9A1 TYR 243 HA 0.01 0.09 0.88 -0.75 4.56 4.78 2wv9A1 TYR 243 HB2 0.02 0.04 0.15 -0.04 3.06 3.23 2wv9A1 TYR 243 HB3 0.01 0.03 -0.01 -0.04 2.98 2.98 2wv9A1 TYR 243 HD2 0.02 0.00 -0.02 -0.04 7.15 7.10 2wv9A1 TYR 243 HE2 0.01 0.01 -0.15 -0.04 6.85 6.68 2wv9A1 LEU 244 H 0.05 0.62 0.30 -0.55 8.37 8.79 2wv9A1 LEU 244 HA 0.04 0.05 0.20 -0.75 4.35 3.88 2wv9A1 LEU 244 HB2 0.01 0.01 -0.01 -0.04 1.64 1.61 2wv9A1 LEU 244 HB3 0.03 -0.07 0.10 -0.04 1.64 1.66 2wv9A1 LEU 244 HG 0.03 -0.04 -0.17 -0.04 1.64 1.42 2wv9A1 LEU 244 HD13 0.01 0.01 -0.04 -0.04 0.93 0.87 2wv9A1 LEU 244 HD23 0.04 -0.01 -0.11 -0.04 0.89 0.76 2wv9A1 THR 245 H 0.06 0.12 0.10 -0.55 8.28 8.02 2wv9A1 THR 245 HA 0.03 0.14 0.57 -0.75 4.39 4.37 2wv9A1 THR 245 HB 0.04 -0.00 0.12 -0.04 4.32 4.43 2wv9A1 THR 245 HG23 0.01 0.03 -0.03 -0.04 1.22 1.18 2wv9A1 PRO 246 HA 0.03 0.22 0.48 -0.51 4.44 4.65 2wv9A1 PRO 246 HB2 0.02 -0.01 0.12 -0.04 2.28 2.37 2wv9A1 PRO 246 HB3 0.04 0.11 0.03 -0.04 2.02 2.15 2wv9A1 PRO 246 HG2 0.02 -0.02 0.10 -0.04 2.03 2.08 2wv9A1 PRO 246 HG3 0.03 0.12 0.10 -0.04 2.03 2.24 2wv9A1 PRO 246 HD2 0.01 -0.01 0.17 -0.04 3.68 3.81 2wv9A1 PRO 246 HD3 0.02 0.33 0.42 -0.04 3.65 4.38 2wv9A1 ARG 250 HA 0.01 -0.08 0.25 -0.75 4.34 3.76 2wv9A1 ARG 250 HB2 0.01 -0.03 0.08 -0.04 1.90 1.92 2wv9A1 ARG 250 HB3 0.02 -0.02 0.15 -0.04 1.80 1.91 2wv9A1 ARG 250 HG2 0.03 -0.02 0.01 -0.04 1.67 1.65 2wv9A1 ARG 250 HG3 0.05 0.04 -0.15 -0.04 1.67 1.57 2wv9A1 ARG 250 HD2 0.02 0.00 0.03 -0.04 3.22 3.23 2wv9A1 ARG 250 HD3 0.02 -0.03 0.02 -0.04 3.22 3.19 2wv9A1 GLU 251 H 0.00 0.08 0.10 -0.55 8.60 8.24 2wv9A1 GLU 251 HA 0.09 0.22 0.94 -0.75 4.29 4.79 2wv9A1 GLU 251 HB2 -0.04 -0.00 0.06 -0.04 2.09 2.06 2wv9A1 GLU 251 HB3 -0.12 -0.07 0.13 -0.04 1.99 1.89 2wv9A1 GLU 251 HG2 0.11 0.03 0.02 -0.04 2.34 2.46 2wv9A1 GLU 251 HG3 0.04 0.05 -0.18 -0.04 2.34 2.21 2wv9A1 HIS 252 H 0.05 0.11 0.13 -0.55 8.41 8.15 2wv9A1 HIS 252 HA 0.03 0.09 0.32 -0.75 4.63 4.32 2wv9A1 HIS 252 HB2 0.01 -0.18 0.06 -0.04 3.26 3.11 2wv9A1 HIS 252 HB3 0.02 0.04 0.08 -0.04 3.20 3.30 2wv9A1 HIS 252 HD2 0.01 -0.04 -0.26 -0.04 6.97 6.63 2wv9A1 HIS 252 HE1 0.02 0.03 -0.02 -0.04 7.75 7.73 2wv9A1 SER 253 H 0.10 0.03 0.20 -0.55 8.46 8.24 2wv9A1 SER 253 HA -0.01 0.21 0.69 -0.75 4.49 4.63 2wv9A1 SER 253 HB2 0.02 0.08 0.12 -0.04 3.95 4.13 2wv9A1 SER 253 HB3 0.04 -0.19 0.17 -0.04 3.93 3.91 2wv9A1 GLY 254 H 0.13 -0.11 0.09 -0.55 8.43 7.99 2wv9A1 GLY 254 HA2 0.17 0.06 0.22 -0.51 4.01 3.94 2wv9A1 GLY 254 HA3 0.08 0.26 0.81 -0.51 4.01 4.65 2wv9A1 ASN 255 H 0.05 -0.20 0.11 -0.55 8.53 7.94 2wv9A1 ASN 255 HA 0.01 0.29 0.87 -0.75 4.76 5.18 2wv9A1 ASN 255 HB2 0.02 -0.11 0.05 -0.04 2.88 2.81 2wv9A1 ASN 255 HB3 0.01 0.04 -0.07 -0.04 2.79 2.73 2wv9A1 ASN 255 HD21 0.01 0.01 -0.04 -0.04 7.03 6.96 2wv9A1 ASN 255 HD22 0.01 0.00 -0.03 -0.04 7.74 7.68 2wv9A1 GLU 256 H 0.02 -0.20 0.09 -0.55 8.60 7.96 2wv9A1 GLU 256 HA -0.01 0.07 0.30 -0.75 4.29 3.89 2wv9A1 GLU 256 HB2 -0.03 0.08 -0.25 -0.04 2.09 1.85 2wv9A1 GLU 256 HB3 0.00 -0.05 -0.03 -0.04 1.99 1.87 2wv9A1 GLU 256 HG2 -0.03 0.09 -0.09 -0.04 2.34 2.28 2wv9A1 GLU 256 HG3 -0.03 0.07 -0.27 -0.04 2.34 2.08 2wv9A1 ILE 257 H -0.02 0.14 0.17 -0.55 8.25 7.99 2wv9A1 ILE 257 HA -0.02 0.21 0.81 -0.75 4.18 4.42 2wv9A1 ILE 257 HB -0.02 -0.05 0.10 -0.04 1.89 1.88 2wv9A1 ILE 257 HG12 -0.01 -0.06 0.05 -0.04 1.49 1.43 2wv9A1 ILE 257 HG13 -0.01 0.01 -0.08 -0.04 1.21 1.08 2wv9A1 ILE 257 HG23 -0.02 0.06 -0.09 -0.04 0.93 0.84 2wv9A1 ILE 257 HD13 -0.01 0.04 -0.24 -0.04 0.88 0.62 2wv9A1 VAL 258 H -0.03 0.04 0.01 -0.55 8.24 7.71 2wv9A1 VAL 258 HA -0.01 0.21 1.04 -0.75 4.13 4.61 2wv9A1 VAL 258 HB -0.07 0.10 0.27 -0.04 2.12 2.38 2wv9A1 VAL 258 HG13 -0.07 -0.02 -0.15 -0.04 0.97 0.70 2wv9A1 VAL 258 HG23 -0.02 -0.01 -0.02 -0.04 0.95 0.85 2wv9A1 ASP 259 H -0.02 0.61 0.28 -0.55 8.40 8.72 2wv9A1 ASP 259 HA -0.10 0.26 1.12 -0.75 4.63 5.16 2wv9A1 ASP 259 HB2 0.03 0.03 0.13 -0.04 2.71 2.86 2wv9A1 ASP 259 HB3 0.01 -0.03 -0.02 -0.04 2.70 2.61 2wv9A1 VAL 260 H -0.14 0.77 0.41 -0.55 8.24 8.73 2wv9A1 VAL 260 HA -0.03 0.30 1.01 -0.75 4.13 4.65 2wv9A1 VAL 260 HB 0.02 -0.06 0.12 -0.04 2.12 2.17 2wv9A1 VAL 260 HG13 0.12 -0.01 -0.10 -0.04 0.97 0.93 2wv9A1 VAL 260 HG23 -0.16 0.02 -0.18 -0.04 0.95 0.59 2wv9A1 MET 261 H 0.02 0.65 0.40 -0.55 8.47 8.99 2wv9A1 MET 261 HA 0.04 -0.01 0.74 -0.75 4.52 4.54 2wv9A1 MET 261 HB2 0.03 -0.13 0.13 -0.04 2.15 2.13 2wv9A1 MET 261 HB3 0.02 0.06 -0.23 -0.04 2.03 1.83 2wv9A1 MET 261 HG2 -0.01 0.09 -0.08 -0.04 2.63 2.60 2wv9A1 MET 261 HG3 0.03 0.14 -0.13 -0.04 2.56 2.55 2wv9A1 MET 261 HE3 -0.09 0.01 -0.17 -0.04 2.10 1.80 2wv9A1 CYS 262 H 0.04 0.08 0.16 -0.55 8.50 8.23 2wv9A1 CYS 262 HA 0.05 0.36 0.72 -0.75 4.58 4.96 2wv9A1 CYS 262 HB2 0.04 -0.09 0.12 -0.04 2.97 3.00 2wv9A1 CYS 262 HB3 0.04 -0.10 0.10 -0.04 2.97 2.97 2wv9A1 HIS 263 H 0.17 0.45 0.22 -0.55 8.41 8.71 2wv9A1 HIS 263 HA -0.01 0.15 0.45 -0.75 4.63 4.47 2wv9A1 HIS 263 HB2 0.07 -0.07 0.12 -0.04 3.26 3.34 2wv9A1 HIS 263 HB3 -0.03 0.01 -0.16 -0.04 3.20 2.98 2wv9A1 HIS 263 HD2 -0.00 -0.03 -0.53 -0.04 6.97 6.35 2wv9A1 HIS 263 HE1 -0.03 0.17 -0.10 -0.04 7.75 7.74 2wv9A1 ALA 264 H 0.11 0.09 -0.12 -0.55 8.40 7.94 2wv9A1 ALA 264 HA 0.04 0.11 0.37 -0.75 4.34 4.11 2wv9A1 ALA 264 HB3 0.14 0.01 0.03 -0.04 1.41 1.55 2wv9A1 THR 265 H 0.08 -0.01 -0.31 -0.55 8.28 7.49 2wv9A1 THR 265 HA 0.08 0.09 0.31 -0.75 4.39 4.12 2wv9A1 THR 265 HB 0.05 0.11 0.09 -0.04 4.32 4.52 2wv9A1 THR 265 HG23 0.03 0.04 -0.10 -0.04 1.22 1.14 2wv9A1 LEU 266 H 0.04 0.31 -0.27 -0.55 8.37 7.91 2wv9A1 LEU 266 HA 0.03 0.10 0.41 -0.75 4.35 4.14 2wv9A1 LEU 266 HB2 0.01 -0.00 0.02 -0.04 1.64 1.63 2wv9A1 LEU 266 HB3 -0.00 0.08 0.04 -0.04 1.64 1.72 2wv9A1 LEU 266 HG -0.02 0.01 -0.17 -0.04 1.64 1.41 2wv9A1 LEU 266 HD13 0.09 0.01 -0.01 -0.04 0.93 0.97 2wv9A1 LEU 266 HD23 0.11 0.01 -0.06 -0.04 0.89 0.90 2wv9A1 THR 267 H -0.01 0.21 -0.24 -0.55 8.28 7.70 2wv9A1 THR 267 HA -0.11 0.09 0.36 -0.75 4.39 3.98 2wv9A1 THR 267 HB -0.20 -0.00 0.10 -0.04 4.32 4.17 2wv9A1 THR 267 HG23 -0.15 -0.02 -0.08 -0.04 1.22 0.93 2wv9A1 HIS 268 H 0.07 0.50 -0.15 -0.55 8.41 8.29 2wv9A1 HIS 268 HA -0.03 0.05 0.44 -0.75 4.63 4.34 2wv9A1 HIS 268 HB2 -0.02 0.08 0.09 -0.04 3.26 3.37 2wv9A1 HIS 268 HB3 -0.03 -0.01 -0.02 -0.04 3.20 3.11 2wv9A1 HIS 268 HD2 -0.07 0.04 -0.03 -0.04 6.97 6.86 2wv9A1 HIS 268 HE1 -0.05 -0.15 -0.04 -0.04 7.75 7.46 2wv9A1 ARG 269 H 0.06 0.33 -0.22 -0.55 8.46 8.08 2wv9A1 ARG 269 HA 0.04 0.02 0.53 -0.75 4.34 4.17 2wv9A1 ARG 269 HB2 0.05 -0.04 0.09 -0.04 1.90 1.95 2wv9A1 ARG 269 HB3 0.04 0.05 0.12 -0.04 1.80 1.97 2wv9A1 ARG 269 HG2 0.04 0.09 -0.18 -0.04 1.67 1.58 2wv9A1 ARG 269 HG3 0.03 -0.03 0.01 -0.04 1.67 1.64 2wv9A1 ARG 269 HD2 0.04 -0.07 -0.03 -0.04 3.22 3.12 2wv9A1 ARG 269 HD3 0.07 -0.04 -0.04 -0.04 3.22 3.16 2wv9A1 LEU 270 H -0.03 0.52 -0.09 -0.55 8.37 8.22 2wv9A1 LEU 270 HA -0.06 0.06 0.42 -0.75 4.35 4.01 2wv9A1 LEU 270 HB2 -0.14 0.04 0.14 -0.04 1.64 1.63 2wv9A1 LEU 270 HB3 -0.20 -0.03 -0.03 -0.04 1.64 1.34 2wv9A1 LEU 270 HG -0.19 -0.01 0.02 -0.04 1.64 1.42 2wv9A1 LEU 270 HD13 -0.43 -0.04 -0.15 -0.04 0.93 0.27 2wv9A1 LEU 270 HD23 -0.74 0.00 -0.00 -0.04 0.89 0.11 2wv9A1 MET 271 H -0.01 0.10 -0.56 -0.55 8.47 7.45 2wv9A1 MET 271 HA 0.05 0.16 0.58 -0.75 4.52 4.55 2wv9A1 MET 271 HB2 0.00 0.03 0.12 -0.04 2.15 2.26 2wv9A1 MET 271 HB3 0.06 -0.10 -0.07 -0.04 2.03 1.88 2wv9A1 MET 271 HG2 0.06 -0.00 -0.18 -0.04 2.63 2.46 2wv9A1 MET 271 HG3 -0.02 0.03 -0.11 -0.04 2.56 2.42 2wv9A1 MET 271 HE3 0.11 -0.02 -0.07 -0.04 2.10 2.07 2wv9A1 SER 272 H 0.03 0.20 -0.12 -0.55 8.46 8.02 2wv9A1 SER 272 HA 0.04 -0.04 0.33 -0.75 4.49 4.06 2wv9A1 SER 272 HB2 0.02 -0.14 0.09 -0.04 3.95 3.88 2wv9A1 SER 272 HB3 0.03 -0.01 0.15 -0.04 3.93 4.06 2wv9A1 PRO 273 HA -0.01 0.08 0.38 -0.51 4.44 4.39 2wv9A1 PRO 273 HB2 -0.00 -0.02 -0.02 -0.04 2.28 2.20 2wv9A1 PRO 273 HB3 -0.01 -0.02 0.11 -0.04 2.02 2.07 2wv9A1 PRO 273 HG2 0.01 -0.02 0.10 -0.04 2.03 2.07 2wv9A1 PRO 273 HG3 0.01 -0.01 0.10 -0.04 2.03 2.08 2wv9A1 PRO 273 HD2 0.02 0.04 0.24 -0.04 3.68 3.93 2wv9A1 PRO 273 HD3 0.02 0.14 0.16 -0.04 3.65 3.93 2wv9A1 LEU 274 H 0.01 -0.04 -0.29 -0.55 8.37 7.51 2wv9A1 LEU 274 HA -0.00 -0.03 0.31 -0.75 4.35 3.87 2wv9A1 LEU 274 HB2 0.01 0.04 -0.00 -0.04 1.64 1.64 2wv9A1 LEU 274 HB3 0.01 0.03 0.06 -0.04 1.64 1.69 2wv9A1 LEU 274 HG 0.00 -0.06 0.01 -0.04 1.64 1.55 2wv9A1 LEU 274 HD13 0.01 -0.00 -0.00 -0.04 0.93 0.89 2wv9A1 LEU 274 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 2wv9A1 ARG 275 H 0.00 -0.04 0.12 -0.55 8.46 7.99 2wv9A1 ARG 275 HA 0.01 0.13 0.42 -0.75 4.34 4.14 2wv9A1 ARG 275 HB2 0.00 -0.05 0.10 -0.04 1.90 1.91 2wv9A1 ARG 275 HB3 -0.00 -0.06 -0.01 -0.04 1.80 1.69 2wv9A1 ARG 275 HG2 0.00 0.18 -0.15 -0.04 1.67 1.67 2wv9A1 ARG 275 HG3 0.01 0.00 0.06 -0.04 1.67 1.70 2wv9A1 ARG 275 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.16 2wv9A1 ARG 275 HD3 -0.00 -0.05 -0.01 -0.04 3.22 3.12 2wv9A1 VAL 276 H 0.03 0.15 0.15 -0.55 8.24 8.01 2wv9A1 VAL 276 HA 0.04 0.17 0.79 -0.75 4.13 4.37 2wv9A1 VAL 276 HB 0.08 -0.04 0.06 -0.04 2.12 2.18 2wv9A1 VAL 276 HG13 0.10 0.01 -0.04 -0.04 0.97 1.00 2wv9A1 VAL 276 HG23 0.00 0.03 -0.03 -0.04 0.95 0.91 2wv9A1 PRO 277 HA -0.14 0.01 0.40 -0.51 4.44 4.20 2wv9A1 PRO 277 HB2 -1.06 0.00 -0.11 -0.04 2.28 1.07 2wv9A1 PRO 277 HB3 -0.37 0.03 -0.02 -0.04 2.02 1.62 2wv9A1 PRO 277 HG2 -0.04 0.00 -0.00 -0.04 2.03 1.95 2wv9A1 PRO 277 HG3 -0.09 0.04 -0.01 -0.04 2.03 1.92 2wv9A1 PRO 277 HD2 0.13 0.07 0.14 -0.04 3.68 3.98 2wv9A1 PRO 277 HD3 0.02 0.25 0.16 -0.04 3.65 4.04 2wv9A1 ASN 278 H -0.14 0.09 0.11 -0.55 8.53 8.04 2wv9A1 ASN 278 HA 0.02 0.13 0.57 -0.75 4.76 4.73 2wv9A1 ASN 278 HB2 -0.02 -0.01 0.13 -0.04 2.88 2.93 2wv9A1 ASN 278 HB3 -0.06 -0.05 0.22 -0.04 2.79 2.85 2wv9A1 ASN 278 HD21 0.02 0.03 -0.00 -0.04 7.03 7.04 2wv9A1 ASN 278 HD22 0.01 -0.06 0.02 -0.04 7.74 7.67 2wv9A1 TYR 279 H 0.08 0.30 0.10 -0.55 8.29 8.22 2wv9A1 TYR 279 HA -0.16 0.10 0.61 -0.75 4.56 4.37 2wv9A1 TYR 279 HB2 -0.61 -0.03 0.08 -0.04 3.06 2.46 2wv9A1 TYR 279 HB3 -0.68 0.06 -0.00 -0.04 2.98 2.31 2wv9A1 TYR 279 HD2 -0.02 0.05 -0.32 -0.04 7.15 6.82 2wv9A1 TYR 279 HE2 -0.01 0.01 -0.10 -0.04 6.85 6.71 2wv9A1 ASN 280 H -0.05 0.26 0.35 -0.55 8.53 8.55 2wv9A1 ASN 280 HA -0.01 0.28 0.78 -0.75 4.76 5.06 2wv9A1 ASN 280 HB2 -0.03 -0.11 0.18 -0.04 2.88 2.88 2wv9A1 ASN 280 HB3 -0.02 -0.00 0.08 -0.04 2.79 2.81 2wv9A1 ASN 280 HD21 -0.02 -0.01 0.10 -0.04 7.03 7.05 2wv9A1 ASN 280 HD22 -0.02 -0.08 0.15 -0.04 7.74 7.75 2wv9A1 LEU 281 H -0.15 0.33 0.04 -0.55 8.37 8.04 2wv9A1 LEU 281 HA -0.04 0.23 0.93 -0.75 4.35 4.71 2wv9A1 LEU 281 HB2 -0.03 0.08 -0.21 -0.04 1.64 1.44 2wv9A1 LEU 281 HB3 -0.06 -0.09 -0.09 -0.04 1.64 1.37 2wv9A1 LEU 281 HG -0.02 -0.08 -0.42 -0.04 1.64 1.08 2wv9A1 LEU 281 HD13 0.02 0.02 -0.16 -0.04 0.93 0.76 2wv9A1 LEU 281 HD23 0.01 -0.02 -0.16 -0.04 0.89 0.69 2wv9A1 PHE 282 H 0.10 0.69 0.22 -0.55 8.34 8.79 2wv9A1 PHE 282 HA -0.04 0.21 1.05 -0.75 4.62 5.09 2wv9A1 PHE 282 HB2 -0.03 0.07 0.22 -0.04 3.15 3.37 2wv9A1 PHE 282 HB3 0.03 -0.08 -0.00 -0.04 3.06 2.97 2wv9A1 PHE 282 HD2 -0.03 0.10 -0.06 -0.04 7.28 7.24 2wv9A1 PHE 282 HE2 0.03 0.01 -0.08 -0.04 7.38 7.31 2wv9A1 PHE 282 HZ 0.39 0.02 -0.05 -0.04 7.32 7.64 2wv9A1 VAL 283 H 0.08 0.82 0.34 -0.55 8.24 8.92 2wv9A1 VAL 283 HA 0.10 0.29 0.96 -0.75 4.13 4.73 2wv9A1 VAL 283 HB 0.02 -0.10 0.10 -0.04 2.12 2.10 2wv9A1 VAL 283 HG13 0.03 -0.02 -0.08 -0.04 0.97 0.86 2wv9A1 VAL 283 HG23 0.01 0.02 -0.26 -0.04 0.95 0.68 2wv9A1 MET 284 H 0.17 0.53 0.30 -0.55 8.47 8.92 2wv9A1 MET 284 HA 0.06 0.15 1.04 -0.75 4.52 5.02 2wv9A1 MET 284 HB2 -0.02 0.07 -0.09 -0.04 2.15 2.07 2wv9A1 MET 284 HB3 0.11 -0.04 0.10 -0.04 2.03 2.15 2wv9A1 MET 284 HG2 -0.08 -0.10 -0.51 -0.04 2.63 1.90 2wv9A1 MET 284 HG3 -0.30 0.07 -0.10 -0.04 2.56 2.18 2wv9A1 MET 284 HE3 -0.58 0.01 -0.07 -0.04 2.10 1.42 2wv9A1 ASP 285 H 0.10 0.59 0.26 -0.55 8.40 8.80 2wv9A1 ASP 285 HA 0.05 0.11 0.93 -0.75 4.63 4.97 2wv9A1 ASP 285 HB2 0.03 0.02 0.07 -0.04 2.71 2.80 2wv9A1 ASP 285 HB3 0.02 -0.03 0.10 -0.04 2.70 2.75 2wv9A1 GLU 286 H 0.05 0.30 0.31 -0.55 8.60 8.71 2wv9A1 GLU 286 HA 0.13 -0.00 0.48 -0.75 4.29 4.14 2wv9A1 GLU 286 HB2 -0.19 0.15 0.32 -0.04 2.09 2.32 2wv9A1 GLU 286 HB3 -0.21 -0.06 0.23 -0.04 1.99 1.91 2wv9A1 GLU 286 HG2 -0.06 -0.02 -0.23 -0.04 2.34 1.98 2wv9A1 GLU 286 HG3 -0.18 -0.03 -0.10 -0.04 2.34 1.99 2wv9A1 ALA 287 H 0.07 0.43 -0.05 -0.55 8.40 8.30 2wv9A1 ALA 287 HA -0.10 0.13 0.15 -0.75 4.34 3.76 2wv9A1 ALA 287 HB3 -0.20 0.03 -0.08 -0.04 1.41 1.12 2wv9A1 HIS 288 H 0.13 -0.00 -0.68 -0.55 8.41 7.31 2wv9A1 HIS 288 HA -0.02 0.20 0.61 -0.75 4.63 4.66 2wv9A1 HIS 288 HB2 -0.00 -0.01 0.02 -0.04 3.26 3.23 2wv9A1 HIS 288 HB3 -0.01 0.13 -0.05 -0.04 3.20 3.23 2wv9A1 HIS 288 HD2 -0.02 -0.07 -0.19 -0.04 6.97 6.65 2wv9A1 HIS 288 HE1 -0.08 0.02 0.07 -0.04 7.75 7.72 2wv9A1 PHE 289 H -0.13 0.37 -0.18 -0.55 8.34 7.85 2wv9A1 PHE 289 HA -0.42 -0.06 0.35 -0.75 4.62 3.74 2wv9A1 PHE 289 HB2 -0.32 0.23 0.20 -0.04 3.15 3.22 2wv9A1 PHE 289 HB3 -0.10 0.02 0.12 -0.04 3.06 3.05 2wv9A1 PHE 289 HD2 -0.34 0.02 0.08 -0.04 7.28 7.01 2wv9A1 PHE 289 HE2 -0.23 0.05 0.05 -0.04 7.38 7.21 2wv9A1 PHE 289 HZ -0.20 -0.00 0.04 -0.04 7.32 7.11 2wv9A1 THR 290 H -0.15 0.09 0.15 -0.55 8.28 7.82 2wv9A1 THR 290 HA -0.46 0.26 0.57 -0.75 4.39 4.01 2wv9A1 THR 290 HB -1.25 -0.06 0.16 -0.04 4.32 3.13 2wv9A1 THR 290 HG23 -0.27 0.08 -0.02 -0.04 1.22 0.96 2wv9A1 ASP 291 H -1.26 0.06 -0.40 -0.55 8.40 6.26 2wv9A1 ASP 291 HA -0.57 0.12 0.59 -0.75 4.63 4.02 2wv9A1 ASP 291 HB2 -2.35 0.04 0.09 -0.04 2.71 0.44 2wv9A1 ASP 291 HB3 -0.76 -0.13 -0.00 -0.04 2.70 1.77 2wv9A1 PRO 292 HA -0.17 0.19 0.41 -0.51 4.44 4.36 2wv9A1 PRO 292 HB2 -0.12 0.05 -0.02 -0.04 2.28 2.15 2wv9A1 PRO 292 HB3 -0.10 0.05 -0.19 -0.04 2.02 1.74 2wv9A1 PRO 292 HG2 -0.11 0.00 0.08 -0.04 2.03 1.97 2wv9A1 PRO 292 HG3 -0.11 0.03 0.15 -0.04 2.03 2.06 2wv9A1 PRO 292 HD2 -0.23 0.07 0.23 -0.04 3.68 3.72 2wv9A1 PRO 292 HD3 -0.27 0.18 0.31 -0.04 3.65 3.83 2wv9A1 ALA 293 H -0.19 0.08 -0.26 -0.55 8.40 7.48 2wv9A1 ALA 293 HA -0.13 0.19 0.42 -0.75 4.34 4.07 2wv9A1 ALA 293 HB3 -0.11 0.02 -0.02 -0.04 1.41 1.26 2wv9A1 SER 294 H -0.25 0.22 -0.47 -0.55 8.46 7.42 2wv9A1 SER 294 HA -0.10 0.12 0.62 -0.75 4.49 4.37 2wv9A1 SER 294 HB2 -0.31 0.18 0.02 -0.04 3.95 3.80 2wv9A1 SER 294 HB3 0.03 0.10 -0.02 -0.04 3.93 4.00 2wv9A1 ILE 295 H -0.21 0.47 -0.04 -0.55 8.25 7.93 2wv9A1 ILE 295 HA -0.08 0.09 0.39 -0.75 4.18 3.82 2wv9A1 ILE 295 HB -0.06 0.04 0.08 -0.04 1.89 1.90 2wv9A1 ILE 295 HG12 -0.15 0.02 -0.05 -0.04 1.49 1.28 2wv9A1 ILE 295 HG13 -0.28 0.10 -0.08 -0.04 1.21 0.91 2wv9A1 ILE 295 HG23 0.17 -0.01 -0.09 -0.04 0.93 0.97 2wv9A1 ILE 295 HD13 -0.42 -0.00 -0.18 -0.04 0.88 0.24 2wv9A1 ALA 296 H -0.09 0.53 -0.13 -0.55 8.40 8.17 2wv9A1 ALA 296 HA -0.01 0.02 0.33 -0.75 4.34 3.93 2wv9A1 ALA 296 HB3 -0.06 0.03 -0.02 -0.04 1.41 1.32 2wv9A1 ALA 297 H -0.10 0.22 -0.55 -0.55 8.40 7.43 2wv9A1 ALA 297 HA -0.04 0.07 0.42 -0.75 4.34 4.03 2wv9A1 ALA 297 HB3 -0.14 0.06 0.12 -0.04 1.41 1.40 2wv9A1 ARG 298 H -0.15 0.51 -0.23 -0.55 8.46 8.04 2wv9A1 ARG 298 HA -0.12 0.03 0.45 -0.75 4.34 3.95 2wv9A1 ARG 298 HB2 -0.14 0.12 0.12 -0.04 1.90 1.96 2wv9A1 ARG 298 HB3 -0.30 -0.08 0.03 -0.04 1.80 1.41 2wv9A1 ARG 298 HG2 -0.88 -0.06 -0.01 -0.04 1.67 0.68 2wv9A1 ARG 298 HG3 -0.39 0.22 0.03 -0.04 1.67 1.48 2wv9A1 ARG 298 HD2 -0.74 -0.08 0.01 -0.04 3.22 2.37 2wv9A1 ARG 298 HD3 -0.63 0.06 0.03 -0.04 3.22 2.64 2wv9A1 GLY 299 H -0.00 0.32 -0.41 -0.55 8.43 7.79 2wv9A1 GLY 299 HA2 0.09 -0.03 0.44 -0.51 4.01 4.00 2wv9A1 GLY 299 HA3 0.05 0.01 0.13 -0.51 4.01 3.69 2wv9A1 TYR 300 H 0.10 0.53 -0.09 -0.55 8.29 8.28 2wv9A1 TYR 300 HA -0.03 0.02 0.36 -0.75 4.56 4.15 2wv9A1 TYR 300 HB2 -0.04 0.03 0.04 -0.04 3.06 3.04 2wv9A1 TYR 300 HB3 -0.11 0.05 0.13 -0.04 2.98 3.01 2wv9A1 TYR 300 HD2 -0.13 -0.01 -0.09 -0.04 7.15 6.88 2wv9A1 TYR 300 HE2 0.16 0.03 -0.07 -0.04 6.85 6.92 2wv9A1 ILE 301 H -0.11 0.52 -0.16 -0.55 8.25 7.95 2wv9A1 ILE 301 HA -0.74 0.06 0.31 -0.75 4.18 3.05 2wv9A1 ILE 301 HB -0.09 0.00 0.08 -0.04 1.89 1.85 2wv9A1 ILE 301 HG12 -2.03 0.01 -0.03 -0.04 1.49 -0.60 2wv9A1 ILE 301 HG13 -0.42 0.09 0.06 -0.04 1.21 0.89 2wv9A1 ILE 301 HG23 -0.25 -0.00 -0.20 -0.04 0.93 0.44 2wv9A1 ILE 301 HD13 -0.10 -0.04 -0.14 -0.04 0.88 0.56 2wv9A1 ALA 302 H -0.02 0.46 -0.26 -0.55 8.40 8.03 2wv9A1 ALA 302 HA -0.01 -0.00 0.31 -0.75 4.34 3.88 2wv9A1 ALA 302 HB3 0.20 0.03 0.10 -0.04 1.41 1.70 2wv9A1 THR 303 H -0.12 0.37 -0.60 -0.55 8.28 7.37 2wv9A1 THR 303 HA -0.03 0.06 0.59 -0.75 4.39 4.26 2wv9A1 THR 303 HB -0.12 0.12 0.10 -0.04 4.32 4.37 2wv9A1 THR 303 HG23 -0.01 -0.01 -0.08 -0.04 1.22 1.08 2wv9A1 ARG 304 H -0.28 0.49 0.06 -0.55 8.46 8.17 2wv9A1 ARG 304 HA -0.08 0.04 0.45 -0.75 4.34 4.00 2wv9A1 ARG 304 HB2 -0.20 0.09 0.05 -0.04 1.90 1.80 2wv9A1 ARG 304 HB3 -0.01 -0.01 -0.05 -0.04 1.80 1.68 2wv9A1 ARG 304 HG2 -0.71 0.09 0.02 -0.04 1.67 1.03 2wv9A1 ARG 304 HG3 -0.56 0.00 -0.05 -0.04 1.67 1.02 2wv9A1 ARG 304 HD2 -0.06 -0.04 -0.05 -0.04 3.22 3.03 2wv9A1 ARG 304 HD3 -0.01 0.01 -0.05 -0.04 3.22 3.14 2wv9A1 VAL 305 H -0.08 0.48 -0.20 -0.55 8.24 7.89 2wv9A1 VAL 305 HA 0.00 0.51 0.66 -0.75 4.13 4.55 2wv9A1 VAL 305 HB -0.04 -0.06 -0.05 -0.04 2.12 1.92 2wv9A1 VAL 305 HG13 -0.03 0.06 -0.27 -0.04 0.97 0.69 2wv9A1 VAL 305 HG23 -0.03 0.05 -0.36 -0.04 0.95 0.56 2wv9A1 GLU 306 H -0.03 0.24 -0.35 -0.55 8.60 7.92 2wv9A1 GLU 306 HA -0.01 0.05 0.50 -0.75 4.29 4.08 2wv9A1 GLU 306 HB2 -0.00 0.22 0.25 -0.04 2.09 2.52 2wv9A1 GLU 306 HB3 -0.01 0.09 0.15 -0.04 1.99 2.18 2wv9A1 GLU 306 HG2 -0.00 -0.02 0.01 -0.04 2.34 2.29 2wv9A1 GLU 306 HG3 -0.00 -0.05 0.10 -0.04 2.34 2.36 2wv9A1 ALA 307 H -0.02 0.34 -0.27 -0.55 8.40 7.91 2wv9A1 ALA 307 HA -0.00 0.05 0.53 -0.75 4.34 4.16 2wv9A1 ALA 307 HB3 -0.01 -0.01 0.09 -0.04 1.41 1.45 2wv9A1 GLY 308 H -0.00 0.27 -0.62 -0.55 8.43 7.53 2wv9A1 GLY 308 HA2 0.00 0.07 0.14 -0.51 4.01 3.72 2wv9A1 GLY 308 HA3 0.00 0.03 0.51 -0.51 4.01 4.04 2wv9A1 GLU 309 H 0.01 0.42 0.01 -0.55 8.60 8.49 2wv9A1 GLU 309 HA 0.02 0.08 0.59 -0.75 4.29 4.22 2wv9A1 GLU 309 HB2 0.02 0.04 0.06 -0.04 2.09 2.17 2wv9A1 GLU 309 HB3 0.04 -0.05 0.02 -0.04 1.99 1.96 2wv9A1 GLU 309 HG2 0.01 0.05 -0.20 -0.04 2.34 2.15 2wv9A1 GLU 309 HG3 0.02 -0.04 -0.05 -0.04 2.34 2.24 2wv9A1 ALA 310 H 0.03 0.30 -0.01 -0.55 8.40 8.18 2wv9A1 ALA 310 HA 0.04 0.15 0.83 -0.75 4.34 4.61 2wv9A1 ALA 310 HB3 0.22 -0.02 -0.22 -0.04 1.41 1.35 2wv9A1 ALA 311 H 0.05 0.67 0.28 -0.55 8.40 8.85 2wv9A1 ALA 311 HA 0.02 0.36 0.96 -0.75 4.34 4.92 2wv9A1 ALA 311 HB3 0.01 -0.02 -0.04 -0.04 1.41 1.32 2wv9A1 ALA 312 H -0.05 0.74 0.39 -0.55 8.40 8.94 2wv9A1 ALA 312 HA 0.01 0.19 1.02 -0.75 4.34 4.80 2wv9A1 ALA 312 HB3 -0.37 -0.02 -0.07 -0.04 1.41 0.90 2wv9A1 ILE 313 H -0.04 0.65 0.30 -0.55 8.25 8.61 2wv9A1 ILE 313 HA -0.11 0.28 0.84 -0.75 4.18 4.44 2wv9A1 ILE 313 HB 0.04 -0.02 0.16 -0.04 1.89 2.03 2wv9A1 ILE 313 HG12 0.03 -0.01 0.06 -0.04 1.49 1.53 2wv9A1 ILE 313 HG13 0.01 0.10 -0.50 -0.04 1.21 0.78 2wv9A1 ILE 313 HG23 0.06 -0.04 -0.15 -0.04 0.93 0.77 2wv9A1 ILE 313 HD13 0.14 -0.03 -0.14 -0.04 0.88 0.82 2wv9A1 PHE 314 H -0.04 0.56 0.28 -0.55 8.34 8.58 2wv9A1 PHE 314 HA -0.03 0.13 0.98 -0.75 4.62 4.95 2wv9A1 PHE 314 HB2 -0.05 -0.00 0.13 -0.04 3.15 3.18 2wv9A1 PHE 314 HB3 -0.05 -0.04 -0.03 -0.04 3.06 2.89 2wv9A1 PHE 314 HD2 -0.22 0.02 -0.11 -0.04 7.28 6.93 2wv9A1 PHE 314 HE2 -0.67 0.02 -0.09 -0.04 7.38 6.59 2wv9A1 PHE 314 HZ -0.32 0.04 -0.01 -0.04 7.32 6.99 2wv9A1 MET 315 H 0.13 0.78 0.36 -0.55 8.47 9.19 2wv9A1 MET 315 HA 0.06 0.34 0.99 -0.75 4.52 5.15 2wv9A1 MET 315 HB2 0.05 -0.09 0.27 -0.04 2.15 2.33 2wv9A1 MET 315 HB3 0.02 -0.05 0.05 -0.04 2.03 2.01 2wv9A1 MET 315 HG2 0.04 0.03 -0.20 -0.04 2.63 2.46 2wv9A1 MET 315 HG3 0.07 0.07 -0.16 -0.04 2.56 2.50 2wv9A1 MET 315 HE3 0.02 -0.00 -0.17 -0.04 2.10 1.91 2wv9A1 THR 316 H 0.03 0.76 0.27 -0.55 8.28 8.80 2wv9A1 THR 316 HA 0.03 -0.01 0.56 -0.75 4.39 4.22 2wv9A1 THR 316 HB 0.13 -0.24 -0.10 -0.04 4.32 4.07 2wv9A1 THR 316 HG23 0.07 0.05 -0.44 -0.04 1.22 0.86 2wv9A1 ALA 317 H -0.08 0.11 0.12 -0.55 8.40 8.01 2wv9A1 ALA 317 HA -0.06 0.13 0.60 -0.75 4.34 4.26 2wv9A1 ALA 317 HB3 -0.08 0.03 0.06 -0.04 1.41 1.39 2wv9A1 THR 318 H -0.16 -0.04 -0.18 -0.55 8.28 7.36 2wv9A1 THR 318 HA -0.05 0.28 0.84 -0.75 4.39 4.72 2wv9A1 THR 318 HB -0.07 -0.07 0.00 -0.04 4.32 4.14 2wv9A1 THR 318 HG23 -0.13 0.05 -0.15 -0.04 1.22 0.95 2wv9A1 PRO 319 HA 0.09 0.06 0.24 -0.51 4.44 4.31 2wv9A1 PRO 319 HB2 0.08 0.03 -0.20 -0.04 2.28 2.16 2wv9A1 PRO 319 HB3 0.12 0.04 -0.05 -0.04 2.02 2.09 2wv9A1 PRO 319 HG2 0.05 0.06 -0.08 -0.04 2.03 2.01 2wv9A1 PRO 319 HG3 0.05 0.11 -0.18 -0.04 2.03 1.97 2wv9A1 PRO 319 HD2 0.02 0.04 0.05 -0.04 3.68 3.74 2wv9A1 PRO 319 HD3 -0.00 0.37 -0.35 -0.04 3.65 3.63 2wv9A1 PRO 320 HA 0.12 -0.05 0.45 -0.51 4.44 4.45 2wv9A1 PRO 320 HB2 0.30 0.01 0.05 -0.04 2.28 2.60 2wv9A1 PRO 320 HB3 0.20 0.01 -0.02 -0.04 2.02 2.18 2wv9A1 PRO 320 HG2 0.15 0.04 0.02 -0.04 2.03 2.21 2wv9A1 PRO 320 HG3 0.09 0.10 0.05 -0.04 2.03 2.22 2wv9A1 PRO 320 HD2 0.19 0.09 0.08 -0.04 3.68 4.00 2wv9A1 PRO 320 HD3 0.09 0.11 -0.01 -0.04 3.65 3.79 2wv9A1 GLY 321 H 0.08 0.03 0.21 -0.55 8.43 8.21 2wv9A1 GLY 321 HA2 0.03 0.02 0.28 -0.51 4.01 3.83 2wv9A1 GLY 321 HA3 0.03 0.20 0.78 -0.51 4.01 4.51 2wv9A1 THR 322 H 0.04 0.22 0.11 -0.55 8.28 8.10 2wv9A1 THR 322 HA 0.01 0.08 0.38 -0.75 4.39 4.10 2wv9A1 THR 322 HB -0.01 -0.14 -0.01 -0.04 4.32 4.12 2wv9A1 THR 322 HG23 -0.03 -0.08 -0.00 -0.04 1.22 1.06 2wv9A1 SER 323 H -0.01 0.18 0.14 -0.55 8.46 8.22 2wv9A1 SER 323 HA -0.02 0.05 0.64 -0.75 4.49 4.40 2wv9A1 SER 323 HB2 -0.01 -0.04 0.16 -0.04 3.95 4.02 2wv9A1 SER 323 HB3 -0.00 0.08 -0.06 -0.04 3.93 3.91 2wv9A1 ASP 324 H -0.04 0.10 -0.08 -0.55 8.40 7.84 2wv9A1 ASP 324 HA -0.04 0.24 0.81 -0.75 4.63 4.88 2wv9A1 ASP 324 HB2 -0.00 0.01 -0.05 -0.04 2.71 2.62 2wv9A1 ASP 324 HB3 -0.02 0.01 0.07 -0.04 2.70 2.71 2wv9A1 PRO 325 HA -0.33 0.25 0.39 -0.51 4.44 4.24 2wv9A1 PRO 325 HB2 -1.53 0.08 -0.12 -0.04 2.28 0.67 2wv9A1 PRO 325 HB3 -0.51 -0.04 0.01 -0.04 2.02 1.45 2wv9A1 PRO 325 HG2 -0.27 0.05 0.02 -0.04 2.03 1.79 2wv9A1 PRO 325 HG3 -0.21 -0.05 -0.02 -0.04 2.03 1.71 2wv9A1 PRO 325 HD2 -0.09 0.10 0.14 -0.04 3.68 3.79 2wv9A1 PRO 325 HD3 -0.09 0.35 0.28 -0.04 3.65 4.15 2wv9A1 PHE 326 H -0.12 0.05 -0.35 -0.55 8.34 7.37 2wv9A1 PHE 326 HA -0.13 0.28 0.84 -0.75 4.62 4.86 2wv9A1 PHE 326 HB2 -0.07 -0.05 0.11 -0.04 3.15 3.11 2wv9A1 PHE 326 HB3 -0.08 0.07 -0.01 -0.04 3.06 3.00 2wv9A1 PHE 326 HD2 -0.09 0.04 -0.08 -0.04 7.28 7.11 2wv9A1 PHE 326 HE2 -0.19 -0.00 -0.09 -0.04 7.38 7.05 2wv9A1 PHE 326 HZ -0.46 -0.02 -0.10 -0.04 7.32 6.70 2wv9A1 PRO 327 HA 0.01 -0.00 0.53 -0.51 4.44 4.47 2wv9A1 PRO 327 HB2 -0.00 0.14 -0.07 -0.04 2.28 2.31 2wv9A1 PRO 327 HB3 -0.02 -0.02 0.03 -0.04 2.02 1.97 2wv9A1 PRO 327 HG2 -0.05 0.08 -0.08 -0.04 2.03 1.94 2wv9A1 PRO 327 HG3 -0.07 -0.01 -0.07 -0.04 2.03 1.84 2wv9A1 PRO 327 HD2 -0.09 0.15 0.04 -0.04 3.68 3.73 2wv9A1 PRO 327 HD3 -0.12 0.15 -0.30 -0.04 3.65 3.34 2wv9A1 ASP 328 H 0.02 0.04 0.12 -0.55 8.40 8.03 2wv9A1 ASP 328 HA -0.00 -0.02 0.40 -0.75 4.63 4.25 2wv9A1 ASP 328 HB2 0.02 -0.04 0.12 -0.04 2.71 2.77 2wv9A1 ASP 328 HB3 -0.01 0.11 0.02 -0.04 2.70 2.79 2wv9A1 THR 329 H -0.01 0.03 0.13 -0.55 8.28 7.87 2wv9A1 THR 329 HA 0.01 0.13 0.63 -0.75 4.39 4.40 2wv9A1 THR 329 HB 0.00 -0.02 0.14 -0.04 4.32 4.39 2wv9A1 THR 329 HG23 -0.01 0.03 -0.05 -0.04 1.22 1.15 2wv9A1 ASN 330 H 0.01 0.17 0.10 -0.55 8.53 8.27 2wv9A1 ASN 330 HA -0.05 0.02 0.59 -0.75 4.76 4.57 2wv9A1 ASN 330 HB2 0.01 0.15 0.24 -0.04 2.88 3.25 2wv9A1 ASN 330 HB3 -0.01 -0.02 -0.07 -0.04 2.79 2.66 2wv9A1 ASN 330 HD21 0.00 -0.12 0.01 -0.04 7.03 6.88 2wv9A1 ASN 330 HD22 -0.00 0.02 0.05 -0.04 7.74 7.77 2wv9A1 SER 331 H -0.00 0.43 0.10 -0.55 8.46 8.44 2wv9A1 SER 331 HA -0.03 0.17 0.82 -0.75 4.49 4.70 2wv9A1 SER 331 HB2 0.01 -0.08 -0.01 -0.04 3.95 3.84 2wv9A1 SER 331 HB3 0.00 -0.08 0.03 -0.04 3.93 3.83 2wv9A1 PRO 332 HA -0.07 0.06 0.45 -0.51 4.44 4.36 2wv9A1 PRO 332 HB2 -0.06 -0.11 0.04 -0.04 2.28 2.12 2wv9A1 PRO 332 HB3 -0.12 0.04 0.07 -0.04 2.02 1.98 2wv9A1 PRO 332 HG2 -0.07 0.05 0.06 -0.04 2.03 2.04 2wv9A1 PRO 332 HG3 -0.10 0.06 0.06 -0.04 2.03 2.02 2wv9A1 PRO 332 HD2 -0.03 0.06 0.19 -0.04 3.68 3.86 2wv9A1 PRO 332 HD3 -0.05 0.23 0.18 -0.04 3.65 3.96 2wv9A1 VAL 333 H -0.10 0.22 0.21 -0.55 8.24 8.02 2wv9A1 VAL 333 HA 0.05 0.14 0.84 -0.75 4.13 4.41 2wv9A1 VAL 333 HB -0.01 -0.04 -0.01 -0.04 2.12 2.02 2wv9A1 VAL 333 HG13 0.08 0.01 -0.34 -0.04 0.97 0.68 2wv9A1 VAL 333 HG23 0.04 0.06 -0.23 -0.04 0.95 0.77 2wv9A1 HIS 334 H 0.21 0.63 0.13 -0.55 8.41 8.84 2wv9A1 HIS 334 HA -0.03 0.10 0.88 -0.75 4.63 4.83 2wv9A1 HIS 334 HB2 -0.01 0.01 0.09 -0.04 3.26 3.31 2wv9A1 HIS 334 HB3 -0.06 -0.03 -0.05 -0.04 3.20 3.02 2wv9A1 HIS 334 HD2 -0.04 -0.02 -0.03 -0.04 6.97 6.83 2wv9A1 HIS 334 HE1 -0.01 0.00 -0.05 -0.04 7.75 7.65 2wv9A1 ASP 335 H -0.00 0.20 0.09 -0.55 8.40 8.14 2wv9A1 ASP 335 HA 0.24 0.27 0.95 -0.75 4.63 5.34 2wv9A1 ASP 335 HB2 -0.06 -0.04 0.16 -0.04 2.71 2.73 2wv9A1 ASP 335 HB3 0.27 0.00 -0.01 -0.04 2.70 2.93 2wv9A1 VAL 336 H -0.14 0.69 0.26 -0.55 8.24 8.50 2wv9A1 VAL 336 HA -0.19 0.13 0.89 -0.75 4.13 4.20 2wv9A1 VAL 336 HB -0.99 -0.03 0.02 -0.04 2.12 1.07 2wv9A1 VAL 336 HG13 -0.30 0.00 -0.18 -0.04 0.97 0.45 2wv9A1 VAL 336 HG23 -0.25 0.02 -0.22 -0.04 0.95 0.45 2wv9A1 SER 337 H -0.32 0.16 0.17 -0.55 8.46 7.93 2wv9A1 SER 337 HA -1.14 0.24 0.83 -0.75 4.49 3.67 2wv9A1 SER 337 HB2 -0.40 0.01 0.10 -0.04 3.95 3.62 2wv9A1 SER 337 HB3 -0.24 -0.04 0.21 -0.04 3.93 3.82 2wv9A1 SER 338 H -0.36 0.68 0.33 -0.55 8.46 8.56 2wv9A1 SER 338 HA -0.21 0.10 0.80 -0.75 4.49 4.43 2wv9A1 SER 338 HB2 -0.19 0.01 -0.15 -0.04 3.95 3.58 2wv9A1 SER 338 HB3 -0.34 -0.02 -0.05 -0.04 3.93 3.48 2wv9A1 GLU 339 H -0.01 0.11 0.10 -0.55 8.60 8.25 2wv9A1 GLU 339 HA 0.06 0.08 0.64 -0.75 4.29 4.31 2wv9A1 GLU 339 HB2 0.04 0.00 0.08 -0.04 2.09 2.17 2wv9A1 GLU 339 HB3 0.15 -0.04 0.13 -0.04 1.99 2.18 2wv9A1 GLU 339 HG2 0.23 0.05 -0.31 -0.04 2.34 2.27 2wv9A1 GLU 339 HG3 0.10 0.02 -0.02 -0.04 2.34 2.40 2wv9A1 ILE 340 H 0.08 0.19 0.14 -0.55 8.25 8.11 2wv9A1 ILE 340 HA -0.02 0.18 0.74 -0.75 4.18 4.33 2wv9A1 ILE 340 HB 0.07 -0.02 0.03 -0.04 1.89 1.93 2wv9A1 ILE 340 HG12 0.02 0.09 -0.23 -0.04 1.49 1.33 2wv9A1 ILE 340 HG13 -0.03 0.18 -0.28 -0.04 1.21 1.04 2wv9A1 ILE 340 HG23 -0.01 0.03 -0.21 -0.04 0.93 0.69 2wv9A1 ILE 340 HD13 0.02 -0.00 -0.40 -0.04 0.88 0.45 2wv9A1 PRO 341 HA -0.13 -0.01 0.51 -0.51 4.44 4.31 2wv9A1 PRO 341 HB2 -0.08 0.00 -0.01 -0.04 2.28 2.14 2wv9A1 PRO 341 HB3 -0.44 0.14 0.06 -0.04 2.02 1.74 2wv9A1 PRO 341 HG2 -1.72 0.05 0.02 -0.04 2.03 0.34 2wv9A1 PRO 341 HG3 -2.61 0.02 0.01 -0.04 2.03 -0.59 2wv9A1 PRO 341 HD2 -0.25 0.09 0.15 -0.04 3.68 3.63 2wv9A1 PRO 341 HD3 -0.49 0.24 0.19 -0.04 3.65 3.56 2wv9A1 ASP 342 H 0.04 0.13 0.19 -0.55 8.40 8.22 2wv9A1 ASP 342 HA 0.09 0.13 0.78 -0.75 4.63 4.88 2wv9A1 ASP 342 HB2 0.05 -0.07 0.13 -0.04 2.71 2.78 2wv9A1 ASP 342 HB3 0.07 0.08 0.06 -0.04 2.70 2.87 2wv9A1 ARG 343 H 0.05 0.20 0.01 -0.55 8.46 8.16 2wv9A1 ARG 343 HA -0.00 0.05 0.43 -0.75 4.34 4.07 2wv9A1 ARG 343 HB2 0.04 -0.04 -0.10 -0.04 1.90 1.77 2wv9A1 ARG 343 HB3 0.03 0.04 0.08 -0.04 1.80 1.91 2wv9A1 ARG 343 HG2 -0.00 -0.05 0.10 -0.04 1.67 1.67 2wv9A1 ARG 343 HG3 0.01 0.27 0.08 -0.04 1.67 1.99 2wv9A1 ARG 343 HD2 0.03 -0.02 -0.09 -0.04 3.22 3.09 2wv9A1 ARG 343 HD3 0.02 0.02 -0.02 -0.04 3.22 3.20 2wv9A1 ALA 344 H -0.01 0.05 0.03 -0.55 8.40 7.93 2wv9A1 ALA 344 HA -0.01 0.08 0.31 -0.75 4.34 3.96 2wv9A1 ALA 344 HB3 -0.12 0.05 0.07 -0.04 1.41 1.36 2wv9A1 TRP 345 H -0.40 0.28 0.18 -0.55 7.97 7.48 2wv9A1 TRP 345 HA 0.01 0.09 0.78 -0.75 4.62 4.74 2wv9A1 TRP 345 HB2 0.14 -0.00 0.08 -0.04 3.23 3.41 2wv9A1 TRP 345 HB3 -0.07 0.05 -0.14 -0.04 3.23 3.03 2wv9A1 TRP 345 HD1 0.19 0.20 -0.34 -0.04 7.22 7.23 2wv9A1 TRP 345 HE1 0.05 0.13 -0.15 -0.04 10.20 10.19 2wv9A1 TRP 345 HE3 -0.20 0.11 -0.05 -0.04 7.59 7.41 2wv9A1 TRP 345 HZ2 -0.10 0.03 -0.07 -0.04 7.44 7.26 2wv9A1 TRP 345 HZ3 -0.30 -0.04 -0.10 -0.04 7.13 6.64 2wv9A1 TRP 345 HH2 -0.00 0.00 -0.09 -0.04 7.19 7.06 2wv9A1 SER 346 H 0.19 0.08 0.15 -0.55 8.46 8.34 2wv9A1 SER 346 HA -0.07 0.23 0.73 -0.75 4.49 4.62 2wv9A1 SER 346 HB2 0.01 0.03 0.07 -0.04 3.95 4.03 2wv9A1 SER 346 HB3 0.01 -0.00 0.01 -0.04 3.93 3.90 2wv9A1 SER 347 H 0.33 0.08 0.07 -0.55 8.46 8.38 2wv9A1 SER 347 HA 0.19 0.23 0.52 -0.75 4.49 4.68 2wv9A1 SER 347 HB2 0.10 -0.06 0.15 -0.04 3.95 4.10 2wv9A1 SER 347 HB3 0.09 0.09 -0.19 -0.04 3.93 3.88 2wv9A1 GLY 348 H 0.13 0.11 0.10 -0.55 8.43 8.22 2wv9A1 GLY 348 HA2 0.02 0.00 0.31 -0.51 4.01 3.83 2wv9A1 GLY 348 HA3 -0.06 0.06 0.48 -0.51 4.01 3.99 2wv9A1 PHE 349 H -0.44 0.10 0.14 -0.55 8.34 7.59 2wv9A1 PHE 349 HA -0.12 -0.03 0.36 -0.75 4.62 4.08 2wv9A1 PHE 349 HB2 -0.64 0.19 -0.18 -0.04 3.15 2.48 2wv9A1 PHE 349 HB3 -0.79 -0.04 0.12 -0.04 3.06 2.32 2wv9A1 PHE 349 HD2 -0.38 0.11 -0.04 -0.04 7.28 6.93 2wv9A1 PHE 349 HE2 -0.08 0.10 -0.07 -0.04 7.38 7.29 2wv9A1 PHE 349 HZ -0.08 -0.02 -0.11 -0.04 7.32 7.06 2wv9A1 GLU 350 H 0.11 0.05 -0.10 -0.55 8.60 8.12 2wv9A1 GLU 350 HA 0.12 0.23 0.46 -0.75 4.29 4.35 2wv9A1 GLU 350 HB2 0.13 -0.06 0.06 -0.04 2.09 2.18 2wv9A1 GLU 350 HB3 0.11 0.07 -0.04 -0.04 1.99 2.09 2wv9A1 GLU 350 HG2 0.08 0.04 -0.03 -0.04 2.34 2.39 2wv9A1 GLU 350 HG3 0.10 0.11 -0.05 -0.04 2.34 2.45 2wv9A1 TRP 351 H 0.34 0.03 -0.07 -0.55 7.97 7.72 2wv9A1 TRP 351 HA 0.06 0.11 0.26 -0.75 4.62 4.30 2wv9A1 TRP 351 HB2 -0.03 0.08 0.00 -0.04 3.23 3.24 2wv9A1 TRP 351 HB3 -0.01 -0.01 0.05 -0.04 3.23 3.22 2wv9A1 TRP 351 HD1 -0.06 -0.12 0.04 -0.04 7.22 7.04 2wv9A1 TRP 351 HE1 -0.04 0.02 0.02 -0.04 10.20 10.17 2wv9A1 TRP 351 HE3 -0.37 0.03 -0.26 -0.04 7.59 6.94 2wv9A1 TRP 351 HZ2 -0.15 0.20 -0.10 -0.04 7.44 7.35 2wv9A1 TRP 351 HZ3 -1.09 0.01 -0.14 -0.04 7.13 5.87 2wv9A1 TRP 351 HH2 -0.47 0.00 -0.15 -0.04 7.19 6.54 2wv9A1 ILE 352 H -0.77 0.06 -0.57 -0.55 8.25 6.43 2wv9A1 ILE 352 HA -0.56 0.09 0.46 -0.75 4.18 3.41 2wv9A1 ILE 352 HB -0.33 0.14 0.05 -0.04 1.89 1.70 2wv9A1 ILE 352 HG12 -1.82 0.02 -0.06 -0.04 1.49 -0.42 2wv9A1 ILE 352 HG13 -2.68 -0.16 -0.08 -0.04 1.21 -1.74 2wv9A1 ILE 352 HG23 0.06 0.01 -0.17 -0.04 0.93 0.78 2wv9A1 ILE 352 HD13 -0.92 0.02 -0.00 -0.04 0.88 -0.06 2wv9A1 THR 353 H 0.05 0.20 -0.07 -0.55 8.28 7.91 2wv9A1 THR 353 HA 0.24 0.16 0.46 -0.75 4.39 4.49 2wv9A1 THR 353 HB 0.10 0.05 0.05 -0.04 4.32 4.48 2wv9A1 THR 353 HG23 0.16 -0.01 -0.03 -0.04 1.22 1.29 2wv9A1 ASP 354 H 0.13 0.36 -0.15 -0.55 8.40 8.20 2wv9A1 ASP 354 HA 0.10 0.14 0.56 -0.75 4.63 4.67 2wv9A1 ASP 354 HB2 0.14 0.04 -0.03 -0.04 2.71 2.82 2wv9A1 ASP 354 HB3 0.10 -0.06 0.00 -0.04 2.70 2.69 2wv9A1 TYR 355 H 0.26 0.17 -0.54 -0.55 8.29 7.63 2wv9A1 TYR 355 HA 0.06 -0.10 0.38 -0.75 4.56 4.15 2wv9A1 TYR 355 HB2 0.08 0.13 0.07 -0.04 3.06 3.30 2wv9A1 TYR 355 HB3 0.03 0.14 0.01 -0.04 2.98 3.12 2wv9A1 TYR 355 HD2 0.00 0.20 -0.18 -0.04 7.15 7.13 2wv9A1 TYR 355 HE2 0.01 -0.00 -0.12 -0.04 6.85 6.69 2wv9A1 ALA 356 H -0.45 -0.00 0.20 -0.55 8.40 7.60 2wv9A1 ALA 356 HA -0.07 0.16 0.42 -0.75 4.34 4.10 2wv9A1 ALA 356 HB3 -0.17 -0.02 0.11 -0.04 1.41 1.29 2wv9A1 GLY 357 H -0.72 -0.07 0.00 -0.55 8.43 7.10 2wv9A1 GLY 357 HA2 -0.12 0.11 0.48 -0.51 4.01 3.97 2wv9A1 GLY 357 HA3 -0.06 -0.06 0.36 -0.51 4.01 3.74 2wv9A1 LYS 358 H -0.08 0.03 0.20 -0.55 8.42 8.02 2wv9A1 LYS 358 HA -0.20 0.39 0.69 -0.75 4.32 4.44 2wv9A1 LYS 358 HB2 -0.26 -0.12 0.04 -0.04 1.87 1.49 2wv9A1 LYS 358 HB3 -0.55 -0.05 -0.06 -0.04 1.79 1.09 2wv9A1 LYS 358 HG2 -0.83 0.26 0.10 -0.04 1.46 0.95 2wv9A1 LYS 358 HG3 -0.44 -0.05 0.08 -0.04 1.46 1.00 2wv9A1 LYS 358 HD2 -0.64 -0.06 -0.09 -0.04 1.69 0.86 2wv9A1 LYS 358 HD3 -2.63 -0.09 -0.09 -0.04 1.68 -1.17 2wv9A1 LYS 358 HE2 -0.84 -0.12 0.07 -0.04 2.99 2.06 2wv9A1 LYS 358 HE3 -0.94 0.31 0.15 -0.04 2.99 2.46 2wv9A1 THR 359 H -0.04 0.43 0.25 -0.55 8.28 8.37 2wv9A1 THR 359 HA -0.07 0.23 1.02 -0.75 4.39 4.81 2wv9A1 THR 359 HB -0.97 -0.01 0.09 -0.04 4.32 3.39 2wv9A1 THR 359 HG23 -0.11 -0.03 -0.23 -0.04 1.22 0.81 2wv9A1 VAL 360 H 0.00 0.65 0.35 -0.55 8.24 8.69 2wv9A1 VAL 360 HA -0.16 0.17 1.12 -0.75 4.13 4.51 2wv9A1 VAL 360 HB -0.06 0.04 0.20 -0.04 2.12 2.25 2wv9A1 VAL 360 HG13 -0.65 -0.01 -0.15 -0.04 0.97 0.12 2wv9A1 VAL 360 HG23 -0.54 -0.01 -0.11 -0.04 0.95 0.25 2wv9A1 TRP 361 H 0.15 0.76 0.35 -0.55 7.97 8.68 2wv9A1 TRP 361 HA 0.07 0.29 0.95 -0.75 4.62 5.18 2wv9A1 TRP 361 HB2 0.16 -0.01 -0.02 -0.04 3.23 3.32 2wv9A1 TRP 361 HB3 0.04 -0.10 0.11 -0.04 3.23 3.24 2wv9A1 TRP 361 HD1 0.08 0.15 -0.37 -0.04 7.22 7.05 2wv9A1 TRP 361 HE1 0.02 0.02 -0.10 -0.04 10.20 10.10 2wv9A1 TRP 361 HE3 0.13 0.02 -0.11 -0.04 7.59 7.59 2wv9A1 TRP 361 HZ2 -0.18 0.18 -0.02 -0.04 7.44 7.38 2wv9A1 TRP 361 HZ3 -0.02 0.03 -0.10 -0.04 7.13 7.01 2wv9A1 TRP 361 HH2 -0.63 -0.01 -0.04 -0.04 7.19 6.47 2wv9A1 PHE 362 H 0.49 0.74 0.45 -0.55 8.34 9.47 2wv9A1 PHE 362 HA 0.19 0.25 1.02 -0.75 4.62 5.32 2wv9A1 PHE 362 HB2 0.18 -0.06 0.29 -0.04 3.15 3.52 2wv9A1 PHE 362 HB3 0.15 -0.03 0.05 -0.04 3.06 3.19 2wv9A1 PHE 362 HD2 0.14 0.06 -0.11 -0.04 7.28 7.32 2wv9A1 PHE 362 HE2 0.14 0.04 -0.10 -0.04 7.38 7.42 2wv9A1 PHE 362 HZ 0.20 0.08 -0.17 -0.04 7.32 7.39 2wv9A1 VAL 363 H 0.21 0.62 0.34 -0.55 8.24 8.86 2wv9A1 VAL 363 HA 0.22 0.25 0.92 -0.75 4.13 4.77 2wv9A1 VAL 363 HB -0.01 -0.23 0.04 -0.04 2.12 1.87 2wv9A1 VAL 363 HG13 -0.24 0.05 -0.29 -0.04 0.97 0.45 2wv9A1 VAL 363 HG23 -0.02 -0.01 -0.19 -0.04 0.95 0.69 2wv9A1 ALA 364 H 0.07 0.17 0.13 -0.55 8.40 8.24 2wv9A1 ALA 364 HA 0.08 0.26 0.38 -0.75 4.34 4.31 2wv9A1 ALA 364 HB3 0.05 0.02 -0.01 -0.04 1.41 1.43 2wv9A1 SER 365 H 0.02 0.16 0.05 -0.55 8.46 8.15 2wv9A1 SER 365 HA 0.01 0.20 0.76 -0.75 4.49 4.71 2wv9A1 SER 365 HB2 -0.00 -0.02 0.19 -0.04 3.95 4.07 2wv9A1 SER 365 HB3 0.01 0.22 -0.17 -0.04 3.93 3.95 2wv9A1 VAL 366 H -0.01 0.25 0.19 -0.55 8.24 8.13 2wv9A1 VAL 366 HA -0.02 0.11 0.54 -0.75 4.13 4.00 2wv9A1 VAL 366 HB -0.01 -0.03 0.17 -0.04 2.12 2.20 2wv9A1 VAL 366 HG13 -0.01 0.03 0.01 -0.04 0.97 0.96 2wv9A1 VAL 366 HG23 -0.01 0.03 0.04 -0.04 0.95 0.96 2wv9A1 LYS 367 H -0.01 0.06 -0.18 -0.55 8.42 7.73 2wv9A1 LYS 367 HA -0.03 0.17 0.57 -0.75 4.32 4.28 2wv9A1 LYS 367 HB2 -0.01 -0.02 0.03 -0.04 1.87 1.84 2wv9A1 LYS 367 HB3 -0.01 0.11 0.03 -0.04 1.79 1.88 2wv9A1 LYS 367 HG2 -0.00 0.05 0.01 -0.04 1.46 1.48 2wv9A1 LYS 367 HG3 -0.01 -0.13 0.03 -0.04 1.46 1.31 2wv9A1 LYS 367 HD2 0.00 0.01 0.01 -0.04 1.69 1.68 2wv9A1 LYS 367 HD3 0.00 0.07 0.02 -0.04 1.68 1.72 2wv9A1 LYS 367 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 2wv9A1 LYS 367 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.88 2wv9A1 MET 368 H -0.02 -0.02 -0.22 -0.55 8.47 7.65 2wv9A1 MET 368 HA -0.05 0.22 0.61 -0.75 4.52 4.54 2wv9A1 MET 368 HB2 -0.01 -0.02 0.15 -0.04 2.15 2.23 2wv9A1 MET 368 HB3 -0.03 -0.09 0.14 -0.04 2.03 2.01 2wv9A1 MET 368 HG2 -0.08 0.02 -0.09 -0.04 2.63 2.44 2wv9A1 MET 368 HG3 -0.04 0.31 0.09 -0.04 2.56 2.88 2wv9A1 MET 368 HE3 0.03 0.07 0.10 -0.04 2.10 2.26 2wv9A1 SER 369 H -0.07 0.37 -0.15 -0.55 8.46 8.07 2wv9A1 SER 369 HA -0.19 0.08 0.30 -0.75 4.49 3.92 2wv9A1 SER 369 HB2 -0.07 -0.00 -0.03 -0.04 3.95 3.81 2wv9A1 SER 369 HB3 -0.06 0.07 0.07 -0.04 3.93 3.96 2wv9A1 ASN 370 H -0.08 0.26 -0.39 -0.55 8.53 7.78 2wv9A1 ASN 370 HA -0.09 0.07 0.41 -0.75 4.76 4.39 2wv9A1 ASN 370 HB2 -0.06 0.06 0.13 -0.04 2.88 2.97 2wv9A1 ASN 370 HB3 -0.06 0.03 0.01 -0.04 2.79 2.72 2wv9A1 ASN 370 HD21 -0.02 -0.08 0.00 -0.04 7.03 6.88 2wv9A1 ASN 370 HD22 -0.03 -0.02 0.04 -0.04 7.74 7.69 2wv9A1 GLU 371 H -0.10 0.30 -0.19 -0.55 8.60 8.07 2wv9A1 GLU 371 HA -0.11 0.10 0.44 -0.75 4.29 3.96 2wv9A1 GLU 371 HB2 -0.08 0.12 0.18 -0.04 2.09 2.27 2wv9A1 GLU 371 HB3 -0.07 -0.18 0.05 -0.04 1.99 1.75 2wv9A1 GLU 371 HG2 -0.05 0.01 0.06 -0.04 2.34 2.31 2wv9A1 GLU 371 HG3 -0.06 -0.01 0.06 -0.04 2.34 2.29 2wv9A1 ILE 372 H -0.21 0.48 -0.20 -0.55 8.25 7.77 2wv9A1 ILE 372 HA -0.24 0.07 0.35 -0.75 4.18 3.61 2wv9A1 ILE 372 HB -0.52 0.01 -0.00 -0.04 1.89 1.34 2wv9A1 ILE 372 HG12 -0.23 0.01 -0.16 -0.04 1.49 1.07 2wv9A1 ILE 372 HG13 -0.52 -0.01 -0.19 -0.04 1.21 0.46 2wv9A1 ILE 372 HG23 -1.28 0.01 -0.22 -0.04 0.93 -0.60 2wv9A1 ILE 372 HD13 -0.08 -0.02 -0.42 -0.04 0.88 0.32 2wv9A1 ALA 373 H -0.24 0.49 -0.13 -0.55 8.40 7.98 2wv9A1 ALA 373 HA -0.23 0.06 0.41 -0.75 4.34 3.83 2wv9A1 ALA 373 HB3 -0.14 0.01 0.04 -0.04 1.41 1.28 2wv9A1 GLN 374 H -0.16 0.48 -0.19 -0.55 8.47 8.05 2wv9A1 GLN 374 HA -0.13 0.04 0.48 -0.75 4.36 4.00 2wv9A1 GLN 374 HB2 -0.13 0.11 0.16 -0.04 2.15 2.25 2wv9A1 GLN 374 HB3 -0.12 -0.02 -0.02 -0.04 2.02 1.82 2wv9A1 GLN 374 HG2 -0.08 -0.02 0.05 -0.04 2.40 2.30 2wv9A1 GLN 374 HG3 -0.09 -0.03 0.07 -0.04 2.39 2.30 2wv9A1 GLN 374 HE21 -0.06 -0.05 -0.04 -0.04 6.97 6.79 2wv9A1 GLN 374 HE22 -0.08 0.02 -0.02 -0.04 7.69 7.58 2wv9A1 CYS 375 H -0.28 0.25 -0.49 -0.55 8.50 7.44 2wv9A1 CYS 375 HA -0.34 0.07 0.56 -0.75 4.58 4.10 2wv9A1 CYS 375 HB2 -0.40 -0.02 0.19 -0.04 2.97 2.69 2wv9A1 CYS 375 HB3 -0.58 0.19 0.18 -0.04 2.97 2.71 2wv9A1 LEU 376 H -0.34 0.34 -0.16 -0.55 8.37 7.66 2wv9A1 LEU 376 HA -0.34 0.10 0.45 -0.75 4.35 3.80 2wv9A1 LEU 376 HB2 -0.30 0.02 0.13 -0.04 1.64 1.45 2wv9A1 LEU 376 HB3 -0.36 -0.00 -0.07 -0.04 1.64 1.16 2wv9A1 LEU 376 HG -0.34 0.02 -0.04 -0.04 1.64 1.23 2wv9A1 LEU 376 HD13 -0.44 -0.03 -0.18 -0.04 0.93 0.23 2wv9A1 LEU 376 HD23 -0.51 0.01 -0.10 -0.04 0.89 0.25 2wv9A1 GLN 377 H -0.17 0.58 -0.02 -0.55 8.47 8.31 2wv9A1 GLN 377 HA -0.07 0.11 0.60 -0.75 4.36 4.25 2wv9A1 GLN 377 HB2 -0.05 -0.04 0.14 -0.04 2.15 2.15 2wv9A1 GLN 377 HB3 -0.07 0.02 0.16 -0.04 2.02 2.09 2wv9A1 GLN 377 HG2 -0.12 0.07 0.19 -0.04 2.40 2.50 2wv9A1 GLN 377 HG3 -0.09 0.03 -0.12 -0.04 2.39 2.17 2wv9A1 GLN 377 HE21 -0.05 -0.05 -0.00 -0.04 6.97 6.82 2wv9A1 GLN 377 HE22 -0.07 0.03 0.00 -0.04 7.69 7.62 2wv9A1 ARG 378 H -0.17 0.26 -0.52 -0.55 8.46 7.48 2wv9A1 ARG 378 HA -0.09 0.05 0.61 -0.75 4.34 4.16 2wv9A1 ARG 378 HB2 -0.19 0.18 0.12 -0.04 1.90 1.96 2wv9A1 ARG 378 HB3 -0.14 -0.03 0.06 -0.04 1.80 1.65 2wv9A1 ARG 378 HG2 -0.09 -0.05 0.08 -0.04 1.67 1.56 2wv9A1 ARG 378 HG3 -0.11 0.06 0.06 -0.04 1.67 1.64 2wv9A1 ARG 378 HD2 -0.12 -0.01 0.03 -0.04 3.22 3.08 2wv9A1 ARG 378 HD3 -0.09 -0.08 0.02 -0.04 3.22 3.03 2wv9A1 ALA 379 H -0.14 0.35 -0.50 -0.55 8.40 7.57 2wv9A1 ALA 379 HA -0.07 0.12 0.76 -0.75 4.34 4.40 2wv9A1 ALA 379 HB3 -0.09 0.03 0.10 -0.04 1.41 1.40 2wv9A1 GLY 380 H -0.05 0.25 -0.47 -0.55 8.43 7.61 2wv9A1 GLY 380 HA2 -0.02 0.02 0.26 -0.51 4.01 3.76 2wv9A1 GLY 380 HA3 -0.01 0.06 0.49 -0.51 4.01 4.04 2wv9A1 LYS 381 H -0.02 0.16 0.06 -0.55 8.42 8.07 2wv9A1 LYS 381 HA 0.09 0.18 0.88 -0.75 4.32 4.72 2wv9A1 LYS 381 HB2 -0.04 0.05 -0.15 -0.04 1.87 1.69 2wv9A1 LYS 381 HB3 0.19 -0.05 -0.16 -0.04 1.79 1.73 2wv9A1 LYS 381 HG2 0.04 0.06 -0.44 -0.04 1.46 1.08 2wv9A1 LYS 381 HG3 0.03 -0.05 -0.09 -0.04 1.46 1.30 2wv9A1 LYS 381 HD2 0.41 -0.04 -0.05 -0.04 1.69 1.96 2wv9A1 LYS 381 HD3 0.15 0.01 -0.01 -0.04 1.68 1.79 2wv9A1 LYS 381 HE2 0.11 -0.00 -0.03 -0.04 2.99 3.02 2wv9A1 LYS 381 HE3 0.22 -0.04 0.04 -0.04 2.99 3.17 2wv9A1 ARG 382 H 0.11 0.21 0.11 -0.55 8.46 8.34 2wv9A1 ARG 382 HA 0.07 0.09 0.59 -0.75 4.34 4.35 2wv9A1 ARG 382 HB2 0.12 -0.05 0.11 -0.04 1.90 2.04 2wv9A1 ARG 382 HB3 0.14 0.10 -0.05 -0.04 1.80 1.94 2wv9A1 ARG 382 HG2 0.05 0.02 -0.03 -0.04 1.67 1.68 2wv9A1 ARG 382 HG3 0.05 0.02 -0.08 -0.04 1.67 1.63 2wv9A1 ARG 382 HD2 0.06 -0.01 -0.13 -0.04 3.22 3.09 2wv9A1 ARG 382 HD3 0.03 0.00 -0.05 -0.04 3.22 3.17 2wv9A1 VAL 383 H 0.07 0.24 0.27 -0.55 8.24 8.26 2wv9A1 VAL 383 HA 0.19 0.30 1.09 -0.75 4.13 4.95 2wv9A1 VAL 383 HB -0.01 -0.01 0.06 -0.04 2.12 2.12 2wv9A1 VAL 383 HG13 -0.01 -0.04 -0.19 -0.04 0.97 0.69 2wv9A1 VAL 383 HG23 0.04 0.06 -0.29 -0.04 0.95 0.72 2wv9A1 ILE 384 H -0.02 0.58 0.40 -0.55 8.25 8.67 2wv9A1 ILE 384 HA -0.06 0.15 0.94 -0.75 4.18 4.46 2wv9A1 ILE 384 HB -0.33 -0.04 0.13 -0.04 1.89 1.61 2wv9A1 ILE 384 HG12 -0.06 0.05 -0.04 -0.04 1.49 1.39 2wv9A1 ILE 384 HG13 -0.03 -0.05 -0.25 -0.04 1.21 0.83 2wv9A1 ILE 384 HG23 -0.15 0.01 -0.11 -0.04 0.93 0.63 2wv9A1 ILE 384 HD13 -0.41 0.03 -0.17 -0.04 0.88 0.29 2wv9A1 GLN 385 H -0.06 0.20 0.14 -0.55 8.47 8.20 2wv9A1 GLN 385 HA -0.08 0.28 1.01 -0.75 4.36 4.81 2wv9A1 GLN 385 HB2 -0.05 0.01 0.13 -0.04 2.15 2.20 2wv9A1 GLN 385 HB3 -0.05 -0.10 -0.04 -0.04 2.02 1.79 2wv9A1 GLN 385 HG2 -0.09 0.04 -0.07 -0.04 2.40 2.23 2wv9A1 GLN 385 HG3 -0.07 0.03 -0.16 -0.04 2.39 2.16 2wv9A1 GLN 385 HE21 -0.07 -0.04 -0.28 -0.04 6.97 6.54 2wv9A1 GLN 385 HE22 -0.07 -0.09 -0.23 -0.04 7.69 7.26 2wv9A1 LEU 386 H -0.05 0.81 0.34 -0.55 8.37 8.92 2wv9A1 LEU 386 HA 0.01 0.14 0.94 -0.75 4.35 4.69 2wv9A1 LEU 386 HB2 -0.01 0.08 0.04 -0.04 1.64 1.71 2wv9A1 LEU 386 HB3 0.12 -0.07 -0.05 -0.04 1.64 1.60 2wv9A1 LEU 386 HG -0.09 0.02 -0.44 -0.04 1.64 1.09 2wv9A1 LEU 386 HD13 0.09 0.02 -0.12 -0.04 0.93 0.87 2wv9A1 LEU 386 HD23 -0.07 0.01 -0.17 -0.04 0.89 0.62 2wv9A1 ASN 387 H 0.03 0.14 0.07 -0.55 8.53 8.24 2wv9A1 ASN 387 HA 0.04 0.14 0.90 -0.75 4.76 5.09 2wv9A1 ASN 387 HB2 0.01 -0.11 0.24 -0.04 2.88 2.98 2wv9A1 ASN 387 HB3 0.01 0.08 0.04 -0.04 2.79 2.87 2wv9A1 ASN 387 HD21 -0.00 0.12 0.03 -0.04 7.03 7.14 2wv9A1 ASN 387 HD22 -0.00 -0.01 0.05 -0.04 7.74 7.74 2wv9A1 ARG 388 H 0.01 0.16 0.19 -0.55 8.46 8.26 2wv9A1 ARG 388 HA -0.02 0.14 0.50 -0.75 4.34 4.21 2wv9A1 ARG 388 HB2 -0.02 -0.03 0.16 -0.04 1.90 1.97 2wv9A1 ARG 388 HB3 -0.03 0.12 0.11 -0.04 1.80 1.95 2wv9A1 ARG 388 HG2 -0.05 0.08 0.08 -0.04 1.67 1.74 2wv9A1 ARG 388 HG3 -0.02 -0.14 0.08 -0.04 1.67 1.55 2wv9A1 ARG 388 HD2 -0.02 -0.02 0.08 -0.04 3.22 3.22 2wv9A1 ARG 388 HD3 -0.03 0.07 0.06 -0.04 3.22 3.28 2wv9A1 LYS 389 H 0.01 -0.08 -0.23 -0.55 8.42 7.56 2wv9A1 LYS 389 HA -0.01 0.23 0.64 -0.75 4.32 4.42 2wv9A1 LYS 389 HB2 -0.02 0.01 0.08 -0.04 1.87 1.91 2wv9A1 LYS 389 HB3 0.00 -0.11 0.12 -0.04 1.79 1.75 2wv9A1 LYS 389 HG2 -0.00 0.05 -0.26 -0.04 1.46 1.21 2wv9A1 LYS 389 HG3 -0.02 0.07 0.02 -0.04 1.46 1.50 2wv9A1 LYS 389 HD2 0.00 -0.05 0.01 -0.04 1.69 1.61 2wv9A1 LYS 389 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 2wv9A1 LYS 389 HE2 0.01 0.04 -0.04 -0.04 2.99 2.96 2wv9A1 LYS 389 HE3 0.01 0.04 -0.01 -0.04 2.99 2.99 2wv9A1 SER 390 H 0.03 -0.04 -0.08 -0.55 8.46 7.82 2wv9A1 SER 390 HA 0.02 0.25 0.70 -0.75 4.49 4.70 2wv9A1 SER 390 HB2 -0.00 0.07 0.22 -0.04 3.95 4.20 2wv9A1 SER 390 HB3 0.00 0.01 0.05 -0.04 3.93 3.95 2wv9A1 TYR 391 H 0.13 0.20 -0.45 -0.55 8.29 7.62 2wv9A1 TYR 391 HA 0.01 0.09 0.46 -0.75 4.56 4.37 2wv9A1 TYR 391 HB2 -0.05 0.17 0.06 -0.04 3.06 3.20 2wv9A1 TYR 391 HB3 -0.06 -0.05 0.11 -0.04 2.98 2.93 2wv9A1 TYR 391 HD2 -0.10 -0.05 -0.18 -0.04 7.15 6.79 2wv9A1 TYR 391 HE2 -0.33 -0.02 -0.13 -0.04 6.85 6.33 2wv9A1 ASP 392 H 0.16 0.16 0.01 -0.55 8.40 8.18 2wv9A1 ASP 392 HA 0.07 0.04 0.31 -0.75 4.63 4.29 2wv9A1 ASP 392 HB2 0.07 -0.05 0.14 -0.04 2.71 2.83 2wv9A1 ASP 392 HB3 0.03 0.07 0.00 -0.04 2.70 2.76 2wv9A1 THR 393 H 0.01 -0.05 -0.58 -0.55 8.28 7.11 2wv9A1 THR 393 HA -0.01 0.16 0.57 -0.75 4.39 4.35 2wv9A1 THR 393 HB -0.01 -0.02 0.09 -0.04 4.32 4.34 2wv9A1 THR 393 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.15 2wv9A1 GLU 394 H -0.04 0.47 0.08 -0.55 8.60 8.57 2wv9A1 GLU 394 HA -0.06 0.11 0.44 -0.75 4.29 4.02 2wv9A1 GLU 394 HB2 -0.06 0.09 0.17 -0.04 2.09 2.25 2wv9A1 GLU 394 HB3 -0.07 -0.05 0.11 -0.04 1.99 1.93 2wv9A1 GLU 394 HG2 -0.02 -0.12 0.09 -0.04 2.34 2.25 2wv9A1 GLU 394 HG3 -0.03 -0.02 0.16 -0.04 2.34 2.41 2wv9A1 TYR 395 H -0.12 0.65 0.03 -0.55 8.29 8.30 2wv9A1 TYR 395 HA -0.29 0.01 0.43 -0.75 4.56 3.96 2wv9A1 TYR 395 HB2 -1.09 -0.12 0.07 -0.04 3.06 1.88 2wv9A1 TYR 395 HB3 -0.64 0.11 0.01 -0.04 2.98 2.42 2wv9A1 TYR 395 HD2 -0.27 0.00 -0.12 -0.04 7.15 6.73 2wv9A1 TYR 395 HE2 -0.26 0.00 -0.07 -0.04 6.85 6.49 2wv9A1 PRO 396 HA -0.19 0.05 0.44 -0.51 4.44 4.23 2wv9A1 PRO 396 HB2 -0.05 0.08 -0.03 -0.04 2.28 2.24 2wv9A1 PRO 396 HB3 -0.04 0.01 0.08 -0.04 2.02 2.03 2wv9A1 PRO 396 HG2 -0.01 0.18 0.09 -0.04 2.03 2.24 2wv9A1 PRO 396 HG3 0.03 -0.06 0.05 -0.04 2.03 2.01 2wv9A1 PRO 396 HD2 -0.05 0.27 -0.45 -0.04 3.68 3.41 2wv9A1 PRO 396 HD3 0.00 0.03 -0.02 -0.04 3.65 3.61 2wv9A1 LYS 397 H -0.12 0.29 -0.51 -0.55 8.42 7.53 2wv9A1 LYS 397 HA -0.03 0.05 0.50 -0.75 4.32 4.08 2wv9A1 LYS 397 HB2 -0.09 0.24 0.13 -0.04 1.87 2.11 2wv9A1 LYS 397 HB3 -0.04 -0.01 -0.00 -0.04 1.79 1.70 2wv9A1 LYS 397 HG2 -0.00 -0.02 0.07 -0.04 1.46 1.46 2wv9A1 LYS 397 HG3 -0.03 -0.01 0.02 -0.04 1.46 1.40 2wv9A1 LYS 397 HD2 -0.03 -0.01 0.05 -0.04 1.69 1.66 2wv9A1 LYS 397 HD3 -0.01 -0.03 0.03 -0.04 1.68 1.63 2wv9A1 LYS 397 HE2 -0.03 0.01 0.03 -0.04 2.99 2.96 2wv9A1 LYS 397 HE3 -0.05 0.05 0.12 -0.04 2.99 3.07 2wv9A1 CYS 398 H -0.27 0.48 -0.27 -0.55 8.50 7.88 2wv9A1 CYS 398 HA -0.24 0.02 0.33 -0.75 4.58 3.93 2wv9A1 CYS 398 HB2 -0.45 0.15 0.08 -0.04 2.97 2.71 2wv9A1 CYS 398 HB3 -0.23 -0.07 0.04 -0.04 2.97 2.66 2wv9A1 LYS 399 H -0.10 0.30 -0.36 -0.55 8.42 7.70 2wv9A1 LYS 399 HA 0.05 0.05 0.39 -0.75 4.32 4.06 2wv9A1 LYS 399 HB2 -0.09 -0.04 0.09 -0.04 1.87 1.80 2wv9A1 LYS 399 HB3 -0.03 0.11 0.06 -0.04 1.79 1.89 2wv9A1 LYS 399 HG2 0.01 0.02 -0.07 -0.04 1.46 1.38 2wv9A1 LYS 399 HG3 -0.01 -0.03 0.02 -0.04 1.46 1.40 2wv9A1 LYS 399 HD2 -0.02 -0.03 -0.00 -0.04 1.69 1.60 2wv9A1 LYS 399 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.62 2wv9A1 LYS 399 HE2 0.00 0.01 -0.04 -0.04 2.99 2.92 2wv9A1 LYS 399 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 2wv9A1 ASN 400 H 0.07 0.26 -0.30 -0.55 8.53 8.01 2wv9A1 ASN 400 HA 0.04 0.05 0.38 -0.75 4.76 4.48 2wv9A1 ASN 400 HB2 0.10 0.21 0.17 -0.04 2.88 3.32 2wv9A1 ASN 400 HB3 0.06 -0.05 0.02 -0.04 2.79 2.77 2wv9A1 ASN 400 HD21 0.01 -0.03 0.03 -0.04 7.03 6.99 2wv9A1 ASN 400 HD22 0.03 0.06 0.13 -0.04 7.74 7.92 2wv9A1 GLY 401 H 0.31 0.23 -0.28 -0.55 8.43 8.13 2wv9A1 GLY 401 HA2 -0.21 0.04 0.25 -0.51 4.01 3.58 2wv9A1 GLY 401 HA3 -0.09 0.17 0.73 -0.51 4.01 4.31 2wv9A1 ASP 402 H 0.16 0.07 -0.22 -0.55 8.40 7.87 2wv9A1 ASP 402 HA 0.02 0.12 0.54 -0.75 4.63 4.56 2wv9A1 ASP 402 HB2 0.06 0.02 0.03 -0.04 2.71 2.78 2wv9A1 ASP 402 HB3 0.13 -0.00 0.16 -0.04 2.70 2.95 2wv9A1 TRP 403 H -0.19 0.63 -0.02 -0.55 7.97 7.85 2wv9A1 TRP 403 HA 0.02 -0.05 0.26 -0.75 4.62 4.10 2wv9A1 TRP 403 HB2 0.02 -0.01 -0.07 -0.04 3.23 3.13 2wv9A1 TRP 403 HB3 0.01 0.19 -0.04 -0.04 3.23 3.35 2wv9A1 TRP 403 HD1 -0.01 -0.04 -0.54 -0.04 7.22 6.59 2wv9A1 TRP 403 HE1 -0.01 0.49 0.08 -0.04 10.20 10.73 2wv9A1 TRP 403 HE3 -0.02 -0.02 -0.69 -0.04 7.59 6.82 2wv9A1 TRP 403 HZ2 0.09 -0.05 -0.01 -0.04 7.44 7.42 2wv9A1 TRP 403 HZ3 -0.12 0.03 -0.26 -0.04 7.13 6.74 2wv9A1 TRP 403 HH2 -0.01 -0.10 -0.16 -0.04 7.19 6.89 2wv9A1 ASP 404 H 0.32 0.72 0.34 -0.55 8.40 9.24 2wv9A1 ASP 404 HA -0.09 0.19 0.94 -0.75 4.63 4.92 2wv9A1 ASP 404 HB2 0.32 -0.05 0.12 -0.04 2.71 3.06 2wv9A1 ASP 404 HB3 0.18 0.13 0.07 -0.04 2.70 3.04 2wv9A1 PHE 405 H 0.49 0.42 0.36 -0.55 8.34 9.06 2wv9A1 PHE 405 HA 0.30 0.28 1.01 -0.75 4.62 5.45 2wv9A1 PHE 405 HB2 0.12 -0.03 -0.03 -0.04 3.15 3.18 2wv9A1 PHE 405 HB3 0.12 -0.07 -0.11 -0.04 3.06 2.96 2wv9A1 PHE 405 HD2 0.23 -0.10 -0.22 -0.04 7.28 7.15 2wv9A1 PHE 405 HE2 0.15 0.01 -0.09 -0.04 7.38 7.41 2wv9A1 PHE 405 HZ 0.09 0.34 -0.05 -0.04 7.32 7.65 2wv9A1 VAL 406 H 0.11 0.78 0.42 -0.55 8.24 9.01 2wv9A1 VAL 406 HA -0.19 0.20 1.03 -0.75 4.13 4.41 2wv9A1 VAL 406 HB -0.61 0.02 0.17 -0.04 2.12 1.67 2wv9A1 VAL 406 HG13 -0.48 -0.01 -0.18 -0.04 0.97 0.26 2wv9A1 VAL 406 HG23 -1.25 0.00 -0.07 -0.04 0.95 -0.40 2wv9A1 ILE 407 H -0.09 0.61 0.29 -0.55 8.25 8.51 2wv9A1 ILE 407 HA -0.03 0.34 1.03 -0.75 4.18 4.77 2wv9A1 ILE 407 HB -0.12 -0.10 0.14 -0.04 1.89 1.77 2wv9A1 ILE 407 HG12 -0.03 0.04 -0.14 -0.04 1.49 1.31 2wv9A1 ILE 407 HG13 -0.18 -0.03 -0.09 -0.04 1.21 0.87 2wv9A1 ILE 407 HG23 -0.26 -0.01 -0.08 -0.04 0.93 0.55 2wv9A1 ILE 407 HD13 -0.01 0.03 -0.27 -0.04 0.88 0.59 2wv9A1 THR 408 H -0.11 0.71 0.42 -0.55 8.28 8.74 2wv9A1 THR 408 HA -0.04 0.11 1.07 -0.75 4.39 4.78 2wv9A1 THR 408 HB -0.10 -0.01 -0.21 -0.04 4.32 3.96 2wv9A1 THR 408 HG23 -0.56 0.05 -0.11 -0.04 1.22 0.55 2wv9A1 THR 409 H 0.05 0.32 0.29 -0.55 8.28 8.39 2wv9A1 THR 409 HA 0.13 0.32 0.76 -0.75 4.39 4.85 2wv9A1 THR 409 HB 0.06 -0.11 0.26 -0.04 4.32 4.49 2wv9A1 THR 409 HG23 0.03 0.01 -0.11 -0.04 1.22 1.11 2wv9A1 ASP 410 H 0.10 0.16 0.18 -0.55 8.40 8.30 2wv9A1 ASP 410 HA 0.18 0.18 0.36 -0.75 4.63 4.60 2wv9A1 ASP 410 HB2 0.05 -0.05 0.10 -0.04 2.71 2.77 2wv9A1 ASP 410 HB3 0.05 0.02 0.06 -0.04 2.70 2.79 2wv9A1 ILE 411 H 0.07 -0.04 -0.42 -0.55 8.25 7.31 2wv9A1 ILE 411 HA -0.07 0.05 0.30 -0.75 4.18 3.71 2wv9A1 ILE 411 HB -0.05 -0.10 0.01 -0.04 1.89 1.72 2wv9A1 ILE 411 HG12 -0.32 -0.00 -0.14 -0.04 1.49 0.98 2wv9A1 ILE 411 HG13 -0.50 0.10 -0.21 -0.04 1.21 0.56 2wv9A1 ILE 411 HG23 0.07 -0.01 -0.26 -0.04 0.93 0.69 2wv9A1 ILE 411 HD13 -0.30 -0.00 0.04 -0.04 0.88 0.58 2wv9A1 SER 412 H 0.19 0.31 -0.42 -0.55 8.46 8.01 2wv9A1 SER 412 HA 0.12 0.08 0.14 -0.75 4.49 4.07 2wv9A1 SER 412 HB2 0.35 0.11 -0.07 -0.04 3.95 4.30 2wv9A1 SER 412 HB3 0.46 0.07 -0.06 -0.04 3.93 4.36 2wv9A1 GLU 413 H 0.13 0.38 -0.49 -0.55 8.60 8.08 2wv9A1 GLU 413 HA 0.13 0.16 0.32 -0.75 4.29 4.15 2wv9A1 GLU 413 HB2 0.07 0.02 0.01 -0.04 2.09 2.16 2wv9A1 GLU 413 HB3 0.17 -0.05 0.02 -0.04 1.99 2.09 2wv9A1 GLU 413 HG2 -0.06 0.01 -0.05 -0.04 2.34 2.19 2wv9A1 GLU 413 HG3 0.08 -0.02 -0.01 -0.04 2.34 2.34 2wv9A1 MET 414 H -0.13 0.38 -0.37 -0.55 8.47 7.80 2wv9A1 MET 414 HA -0.09 0.11 0.84 -0.75 4.52 4.63 2wv9A1 MET 414 HB2 -0.58 0.10 0.16 -0.04 2.15 1.78 2wv9A1 MET 414 HB3 -0.58 -0.05 0.07 -0.04 2.03 1.43 2wv9A1 MET 414 HG2 -1.52 -0.06 0.04 -0.04 2.63 1.05 2wv9A1 MET 414 HG3 -0.60 0.04 0.04 -0.04 2.56 2.00 2wv9A1 MET 414 HE3 -0.20 0.00 -0.03 -0.04 2.10 1.83 2wv9A1 GLY 415 H -0.04 0.24 0.04 -0.55 8.43 8.13 2wv9A1 GLY 415 HA2 -0.05 0.05 0.26 -0.51 4.01 3.75 2wv9A1 GLY 415 HA3 -0.11 -0.05 0.25 -0.51 4.01 3.59 2wv9A1 ALA 416 H -0.04 0.24 -0.12 -0.55 8.40 7.93 2wv9A1 ALA 416 HA -0.10 0.11 0.89 -0.75 4.34 4.48 2wv9A1 ALA 416 HB3 -0.17 0.03 -0.06 -0.04 1.41 1.16 2wv9A1 ASN 417 H 0.01 0.17 0.04 -0.55 8.53 8.22 2wv9A1 ASN 417 HA -0.10 0.21 0.87 -0.75 4.76 4.98 2wv9A1 ASN 417 HB2 -0.02 -0.01 0.07 -0.04 2.88 2.88 2wv9A1 ASN 417 HB3 -0.00 0.06 -0.03 -0.04 2.79 2.77 2wv9A1 ASN 417 HD21 0.01 -0.06 -0.10 -0.04 7.03 6.84 2wv9A1 ASN 417 HD22 0.01 0.05 -0.06 -0.04 7.74 7.70 2wv9A1 PHE 418 H 0.06 0.34 0.15 -0.55 8.34 8.34 2wv9A1 PHE 418 HA 0.17 0.19 0.90 -0.75 4.62 5.12 2wv9A1 PHE 418 HB2 0.17 0.13 0.03 -0.04 3.15 3.44 2wv9A1 PHE 418 HB3 0.31 -0.07 -0.00 -0.04 3.06 3.25 2wv9A1 PHE 418 HD2 0.01 0.07 -0.08 -0.04 7.28 7.25 2wv9A1 PHE 418 HE2 0.01 0.02 -0.12 -0.04 7.38 7.24 2wv9A1 PHE 418 HZ 0.06 -0.08 -0.13 -0.04 7.32 7.13 2wv9A1 GLY 419 H 0.45 0.21 0.07 -0.55 8.43 8.60 2wv9A1 GLY 419 HA2 0.13 0.13 0.58 -0.51 4.01 4.34 2wv9A1 GLY 419 HA3 0.12 0.04 0.33 -0.51 4.01 4.00 2wv9A1 ALA 420 H 0.35 -0.05 -0.67 -0.55 8.40 7.49 2wv9A1 ALA 420 HA 0.06 0.04 0.29 -0.75 4.34 3.97 2wv9A1 ALA 420 HB3 0.25 0.02 -0.18 -0.04 1.41 1.47 2wv9A1 SER 421 H 0.11 0.30 0.25 -0.55 8.46 8.57 2wv9A1 SER 421 HA 0.12 0.18 0.90 -0.75 4.49 4.94 2wv9A1 SER 421 HB2 0.16 -0.01 0.13 -0.04 3.95 4.19 2wv9A1 SER 421 HB3 0.10 0.04 0.06 -0.04 3.93 4.09 2wv9A1 ARG 422 H 0.07 0.22 0.21 -0.55 8.46 8.41 2wv9A1 ARG 422 HA 0.08 0.34 1.07 -0.75 4.34 5.08 2wv9A1 ARG 422 HB2 -0.37 -0.03 -0.12 -0.04 1.90 1.35 2wv9A1 ARG 422 HB3 -0.39 0.02 0.04 -0.04 1.80 1.43 2wv9A1 ARG 422 HG2 -0.04 -0.02 -0.27 -0.04 1.67 1.30 2wv9A1 ARG 422 HG3 0.03 -0.03 -0.04 -0.04 1.67 1.59 2wv9A1 ARG 422 HD2 -0.12 -0.04 -0.12 -0.04 3.22 2.90 2wv9A1 ARG 422 HD3 -0.93 -0.00 -0.07 -0.04 3.22 2.17 2wv9A1 VAL 423 H 0.17 0.61 0.27 -0.55 8.24 8.75 2wv9A1 VAL 423 HA 0.12 0.16 1.04 -0.75 4.13 4.70 2wv9A1 VAL 423 HB 0.41 0.01 0.19 -0.04 2.12 2.69 2wv9A1 VAL 423 HG13 0.47 0.06 -0.19 -0.04 0.97 1.27 2wv9A1 VAL 423 HG23 0.24 -0.01 -0.13 -0.04 0.95 1.02 2wv9A1 ILE 424 H 0.02 0.40 0.12 -0.55 8.25 8.25 2wv9A1 ILE 424 HA -0.07 0.15 0.97 -0.75 4.18 4.47 2wv9A1 ILE 424 HB -0.53 -0.05 0.07 -0.04 1.89 1.34 2wv9A1 ILE 424 HG12 -0.18 0.01 -0.05 -0.04 1.49 1.23 2wv9A1 ILE 424 HG13 -0.17 -0.04 -0.24 -0.04 1.21 0.72 2wv9A1 ILE 424 HG23 -1.33 -0.01 -0.17 -0.04 0.93 -0.62 2wv9A1 ILE 424 HD13 -0.59 0.01 -0.09 -0.04 0.88 0.17 2wv9A1 ASP 425 H -0.08 0.86 0.34 -0.55 8.40 8.97 2wv9A1 ASP 425 HA 0.24 0.04 1.09 -0.75 4.63 5.25 2wv9A1 ASP 425 HB2 0.24 0.07 -0.18 -0.04 2.71 2.80 2wv9A1 ASP 425 HB3 -0.01 0.09 0.13 -0.04 2.70 2.86 2wv9A1 CYS 426 H 0.24 0.31 0.20 -0.55 8.50 8.70 2wv9A1 CYS 426 HA 0.11 0.14 0.66 -0.75 4.58 4.74 2wv9A1 CYS 426 HB2 0.17 0.02 0.07 -0.04 2.97 3.19 2wv9A1 CYS 426 HB3 0.33 0.12 0.11 -0.04 2.97 3.48 2wv9A1 ARG 427 H 0.11 -0.01 -0.19 -0.55 8.46 7.81 2wv9A1 ARG 427 HA 0.05 -0.07 0.23 -0.75 4.34 3.80 2wv9A1 ARG 427 HB2 0.09 0.45 -0.17 -0.04 1.90 2.23 2wv9A1 ARG 427 HB3 0.06 0.03 0.10 -0.04 1.80 1.94 2wv9A1 ARG 427 HG2 0.07 -0.10 -0.05 -0.04 1.67 1.55 2wv9A1 ARG 427 HG3 0.12 -0.05 -0.16 -0.04 1.67 1.54 2wv9A1 ARG 427 HD2 0.14 0.25 -0.15 -0.04 3.22 3.41 2wv9A1 ARG 427 HD3 0.02 -0.04 -0.18 -0.04 3.22 2.98 2wv9A1 LYS 428 H 0.10 0.08 -0.27 -0.55 8.42 7.77 2wv9A1 LYS 428 HA 0.05 0.37 0.55 -0.75 4.32 4.54 2wv9A1 LYS 428 HB2 0.08 -0.05 -0.21 -0.04 1.87 1.65 2wv9A1 LYS 428 HB3 0.06 -0.18 -0.13 -0.04 1.79 1.50 2wv9A1 LYS 428 HG2 0.05 -0.07 -0.47 -0.04 1.46 0.93 2wv9A1 LYS 428 HG3 0.06 0.27 -0.48 -0.04 1.46 1.27 2wv9A1 LYS 428 HD2 0.08 0.09 -0.12 -0.04 1.69 1.70 2wv9A1 LYS 428 HD3 0.06 -0.09 -0.13 -0.04 1.68 1.48 2wv9A1 LYS 428 HE2 0.06 -0.06 -0.05 -0.04 2.99 2.89 2wv9A1 LYS 428 HE3 0.05 -0.03 -0.08 -0.04 2.99 2.88 2wv9A1 SER 429 H 0.04 0.29 0.25 -0.55 8.46 8.50 2wv9A1 SER 429 HA 0.05 0.03 0.55 -0.75 4.49 4.38 2wv9A1 SER 429 HB2 0.04 -0.04 0.17 -0.04 3.95 4.08 2wv9A1 SER 429 HB3 0.05 0.15 -0.10 -0.04 3.93 3.98 2wv9A1 VAL 430 H 0.02 0.62 0.35 -0.55 8.24 8.68 2wv9A1 VAL 430 HA 0.00 0.20 0.70 -0.75 4.13 4.27 2wv9A1 VAL 430 HB 0.00 -0.09 0.26 -0.04 2.12 2.25 2wv9A1 VAL 430 HG13 -0.02 0.04 -0.14 -0.04 0.97 0.81 2wv9A1 VAL 430 HG23 0.01 0.02 -0.08 -0.04 0.95 0.85 2wv9A1 LYS 431 H -0.02 0.25 0.19 -0.55 8.42 8.30 2wv9A1 LYS 431 HA -0.03 0.17 0.93 -0.75 4.32 4.64 2wv9A1 LYS 431 HB2 -0.03 0.00 -0.02 -0.04 1.87 1.78 2wv9A1 LYS 431 HB3 -0.03 0.02 0.07 -0.04 1.79 1.81 2wv9A1 LYS 431 HG2 0.01 -0.01 -0.16 -0.04 1.46 1.25 2wv9A1 LYS 431 HG3 0.00 -0.00 -0.46 -0.04 1.46 0.96 2wv9A1 LYS 431 HD2 0.01 0.04 -0.06 -0.04 1.69 1.65 2wv9A1 LYS 431 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.59 2wv9A1 LYS 431 HE2 0.04 0.01 -0.08 -0.04 2.99 2.93 2wv9A1 LYS 431 HE3 0.03 -0.07 -0.08 -0.04 2.99 2.83 2wv9A1 PRO 432 HA -0.11 0.29 0.82 -0.51 4.44 4.92 2wv9A1 PRO 432 HB2 -0.13 -0.08 0.12 -0.04 2.28 2.15 2wv9A1 PRO 432 HB3 -0.13 0.00 0.07 -0.04 2.02 1.93 2wv9A1 PRO 432 HG2 -0.08 0.02 0.13 -0.04 2.03 2.07 2wv9A1 PRO 432 HG3 -0.08 0.05 0.07 -0.04 2.03 2.03 2wv9A1 PRO 432 HD2 -0.06 0.05 0.30 -0.04 3.68 3.94 2wv9A1 PRO 432 HD3 -0.05 0.19 0.27 -0.04 3.65 4.01 2wv9A1 THR 433 H -0.13 0.65 0.45 -0.55 8.28 8.70 2wv9A1 THR 433 HA -0.13 0.04 1.04 -0.75 4.39 4.58 2wv9A1 THR 433 HB -0.07 0.16 -0.05 -0.04 4.32 4.31 2wv9A1 THR 433 HG23 -0.06 -0.01 -0.23 -0.04 1.22 0.89 2wv9A1 ILE 434 H -0.12 0.70 0.27 -0.55 8.25 8.55 2wv9A1 ILE 434 HA -0.33 0.18 0.94 -0.75 4.18 4.21 2wv9A1 ILE 434 HB -0.11 0.15 0.08 -0.04 1.89 1.97 2wv9A1 ILE 434 HG12 -0.76 0.02 -0.08 -0.04 1.49 0.64 2wv9A1 ILE 434 HG13 -0.34 -0.18 -0.18 -0.04 1.21 0.46 2wv9A1 ILE 434 HG23 -0.06 -0.01 -0.28 -0.04 0.93 0.54 2wv9A1 ILE 434 HD13 -0.08 0.01 0.01 -0.04 0.88 0.78 2wv9A1 LEU 435 H -0.17 0.60 0.36 -0.55 8.37 8.61 2wv9A1 LEU 435 HA -0.02 0.13 0.85 -0.75 4.35 4.56 2wv9A1 LEU 435 HB2 -0.03 0.05 0.24 -0.04 1.64 1.86 2wv9A1 LEU 435 HB3 0.01 -0.04 0.06 -0.04 1.64 1.63 2wv9A1 LEU 435 HG -0.04 0.02 -0.18 -0.04 1.64 1.39 2wv9A1 LEU 435 HD13 -0.01 0.00 -0.04 -0.04 0.93 0.84 2wv9A1 LEU 435 HD23 -0.00 0.00 0.05 -0.04 0.89 0.90 2wv9A1 ASP 436 H 0.03 0.18 0.06 -0.55 8.40 8.12 2wv9A1 ASP 436 HA 0.14 0.16 0.33 -0.75 4.63 4.51 2wv9A1 ASP 436 HB2 0.09 0.07 0.02 -0.04 2.71 2.85 2wv9A1 ASP 436 HB3 0.08 -0.00 -0.02 -0.04 2.70 2.73 2wv9A1 GLU 437 H 0.06 -0.05 -0.27 -0.55 8.60 7.80 2wv9A1 GLU 437 HA 0.07 0.04 0.31 -0.75 4.29 3.96 2wv9A1 GLU 437 HB2 0.05 0.04 -0.02 -0.04 2.09 2.11 2wv9A1 GLU 437 HB3 0.04 -0.01 0.05 -0.04 1.99 2.03 2wv9A1 GLU 437 HG2 0.05 -0.10 -0.07 -0.04 2.34 2.19 2wv9A1 GLU 437 HG3 0.06 0.03 -0.09 -0.04 2.34 2.31 2wv9A1 GLY 438 H 0.07 0.09 0.14 -0.55 8.43 8.19 2wv9A1 GLY 438 HA2 0.08 0.01 0.36 -0.51 4.01 3.96 2wv9A1 GLY 438 HA3 0.10 -0.02 0.54 -0.51 4.01 4.12 2wv9A1 GLU 439 H 0.17 0.06 0.24 -0.55 8.60 8.52 2wv9A1 GLU 439 HA 0.23 0.14 0.74 -0.75 4.29 4.66 2wv9A1 GLU 439 HB2 0.31 0.02 0.19 -0.04 2.09 2.57 2wv9A1 GLU 439 HB3 0.58 0.00 0.03 -0.04 1.99 2.56 2wv9A1 GLU 439 HG2 0.15 -0.11 -0.05 -0.04 2.34 2.28 2wv9A1 GLU 439 HG3 0.10 0.05 0.06 -0.04 2.34 2.51 2wv9A1 GLY 440 H 0.29 0.05 0.11 -0.55 8.43 8.34 2wv9A1 GLY 440 HA2 0.26 0.28 0.32 -0.51 4.01 4.36 2wv9A1 GLY 440 HA3 0.69 0.11 0.78 -0.51 4.01 5.08 2wv9A1 ARG 441 H -0.05 0.37 0.27 -0.55 8.46 8.51 2wv9A1 ARG 441 HA 0.00 0.22 0.74 -0.75 4.34 4.55 2wv9A1 ARG 441 HB2 0.03 -0.03 -0.01 -0.04 1.90 1.84 2wv9A1 ARG 441 HB3 -0.02 -0.06 -0.09 -0.04 1.80 1.59 2wv9A1 ARG 441 HG2 0.12 -0.02 0.11 -0.04 1.67 1.84 2wv9A1 ARG 441 HG3 0.15 0.15 -0.00 -0.04 1.67 1.92 2wv9A1 ARG 441 HD2 0.08 0.06 -0.04 -0.04 3.22 3.27 2wv9A1 ARG 441 HD3 0.06 -0.04 -0.06 -0.04 3.22 3.13 2wv9A1 VAL 442 H -0.42 0.59 0.30 -0.55 8.24 8.15 2wv9A1 VAL 442 HA -0.42 0.42 1.12 -0.75 4.13 4.49 2wv9A1 VAL 442 HB -0.40 -0.06 0.28 -0.04 2.12 1.90 2wv9A1 VAL 442 HG13 -0.24 -0.05 -0.10 -0.04 0.97 0.54 2wv9A1 VAL 442 HG23 -1.25 0.01 -0.08 -0.04 0.95 -0.41 2wv9A1 ILE 443 H -0.18 0.64 0.36 -0.55 8.25 8.52 2wv9A1 ILE 443 HA -0.09 0.10 0.99 -0.75 4.18 4.42 2wv9A1 ILE 443 HB -0.03 0.07 -0.07 -0.04 1.89 1.81 2wv9A1 ILE 443 HG12 -0.08 0.10 -0.05 -0.04 1.49 1.41 2wv9A1 ILE 443 HG13 -0.08 -0.12 0.06 -0.04 1.21 1.03 2wv9A1 ILE 443 HG23 -0.01 0.02 -0.21 -0.04 0.93 0.69 2wv9A1 ILE 443 HD13 -0.03 0.01 -0.12 -0.04 0.88 0.70 2wv9A1 LEU 444 H -0.07 0.18 0.13 -0.55 8.37 8.06 2wv9A1 LEU 444 HA -0.07 0.13 0.78 -0.75 4.35 4.43 2wv9A1 LEU 444 HB2 -0.05 0.03 0.17 -0.04 1.64 1.75 2wv9A1 LEU 444 HB3 -0.04 0.07 -0.01 -0.04 1.64 1.61 2wv9A1 LEU 444 HG -0.13 -0.09 -0.09 -0.04 1.64 1.28 2wv9A1 LEU 444 HD13 -0.06 0.01 -0.03 -0.04 0.93 0.80 2wv9A1 LEU 444 HD23 -0.09 -0.00 -0.15 -0.04 0.89 0.61 2wv9A1 SER 445 H -0.04 0.56 0.28 -0.55 8.46 8.71 2wv9A1 SER 445 HA -0.02 0.01 0.27 -0.75 4.49 4.00 2wv9A1 SER 445 HB2 -0.01 0.05 0.12 -0.04 3.95 4.08 2wv9A1 SER 445 HB3 -0.03 0.03 0.16 -0.04 3.93 4.05 2wv9A1 VAL 446 H 0.00 0.08 0.14 -0.55 8.24 7.92 2wv9A1 VAL 446 HA 0.01 0.10 0.69 -0.75 4.13 4.17 2wv9A1 VAL 446 HB 0.02 0.08 0.03 -0.04 2.12 2.20 2wv9A1 VAL 446 HG13 0.01 -0.00 0.05 -0.04 0.97 0.99 2wv9A1 VAL 446 HG23 0.01 -0.00 0.01 -0.04 0.95 0.93 2wv9A1 PRO 447 HA 0.03 -0.01 0.19 -0.51 4.44 4.14 2wv9A1 PRO 447 HB2 0.04 0.08 0.08 -0.04 2.28 2.44 2wv9A1 PRO 447 HB3 0.05 -0.04 -0.01 -0.04 2.02 1.97 2wv9A1 PRO 447 HG2 0.03 0.07 0.07 -0.04 2.03 2.15 2wv9A1 PRO 447 HG3 0.03 -0.09 0.02 -0.04 2.03 1.95 2wv9A1 PRO 447 HD2 0.02 0.11 0.19 -0.04 3.68 3.95 2wv9A1 PRO 447 HD3 0.02 0.14 0.17 -0.04 3.65 3.93 2wv9A1 SER 448 H 0.03 0.26 0.33 -0.55 8.46 8.53 2wv9A1 SER 448 HA 0.03 0.18 0.96 -0.75 4.49 4.91 2wv9A1 SER 448 HB2 0.02 -0.02 0.07 -0.04 3.95 3.98 2wv9A1 SER 448 HB3 0.02 0.09 -0.02 -0.04 3.93 3.98 2wv9A1 ALA 449 H 0.03 0.09 0.13 -0.55 8.40 8.10 2wv9A1 ALA 449 HA 0.04 0.42 0.55 -0.75 4.34 4.59 2wv9A1 ALA 449 HB3 0.03 -0.00 -0.02 -0.04 1.41 1.38 2wv9A1 ILE 450 H 0.03 0.32 0.08 -0.55 8.25 8.12 2wv9A1 ILE 450 HA 0.03 0.05 0.38 -0.75 4.18 3.88 2wv9A1 ILE 450 HB -0.00 -0.08 0.03 -0.04 1.89 1.79 2wv9A1 ILE 450 HG12 0.02 0.09 -0.26 -0.04 1.49 1.30 2wv9A1 ILE 450 HG13 -0.01 0.01 -0.20 -0.04 1.21 0.97 2wv9A1 ILE 450 HG23 0.02 -0.00 -0.21 -0.04 0.93 0.70 2wv9A1 ILE 450 HD13 -0.04 -0.01 -0.19 -0.04 0.88 0.60 2wv9A1 THR 451 H 0.02 0.05 0.16 -0.55 8.28 7.96 2wv9A1 THR 451 HA 0.02 0.33 0.68 -0.75 4.39 4.66 2wv9A1 THR 451 HB 0.04 0.02 0.12 -0.04 4.32 4.46 2wv9A1 THR 451 HG23 0.09 0.06 0.11 -0.04 1.22 1.44 2wv9A1 SER 452 H -0.02 0.23 0.08 -0.55 8.46 8.20 2wv9A1 SER 452 HA -0.11 0.11 0.26 -0.75 4.49 3.99 2wv9A1 SER 452 HB2 -0.13 0.04 -0.32 -0.04 3.95 3.50 2wv9A1 SER 452 HB3 -0.08 0.03 -0.03 -0.04 3.93 3.81 2wv9A1 ALA 453 H -0.03 0.10 -0.33 -0.55 8.40 7.59 2wv9A1 ALA 453 HA -0.08 0.20 0.40 -0.75 4.34 4.11 2wv9A1 ALA 453 HB3 -0.00 0.04 -0.04 -0.04 1.41 1.37 2wv9A1 SER 454 H -0.02 0.08 -0.28 -0.55 8.46 7.70 2wv9A1 SER 454 HA -0.03 0.09 0.47 -0.75 4.49 4.27 2wv9A1 SER 454 HB2 0.01 -0.02 0.08 -0.04 3.95 3.98 2wv9A1 SER 454 HB3 -0.02 0.10 0.13 -0.04 3.93 4.09 2wv9A1 ALA 455 H -0.09 0.42 -0.23 -0.55 8.40 7.95 2wv9A1 ALA 455 HA -0.12 -0.00 0.43 -0.75 4.34 3.89 2wv9A1 ALA 455 HB3 -0.11 0.04 -0.02 -0.04 1.41 1.27 2wv9A1 ALA 456 H -0.17 0.33 -0.32 -0.55 8.40 7.70 2wv9A1 ALA 456 HA -0.26 0.19 0.54 -0.75 4.34 4.06 2wv9A1 ALA 456 HB3 -0.17 0.03 0.06 -0.04 1.41 1.30 2wv9A1 GLN 457 H -0.15 0.18 -0.50 -0.55 8.47 7.45 2wv9A1 GLN 457 HA -0.12 0.12 0.67 -0.75 4.36 4.27 2wv9A1 GLN 457 HB2 -0.09 0.11 0.18 -0.04 2.15 2.30 2wv9A1 GLN 457 HB3 -0.03 0.00 0.06 -0.04 2.02 2.01 2wv9A1 GLN 457 HG2 -0.28 0.19 0.02 -0.04 2.40 2.29 2wv9A1 GLN 457 HG3 -0.39 -0.10 0.00 -0.04 2.39 1.87 2wv9A1 GLN 457 HE21 -0.30 -0.17 0.06 -0.04 6.97 6.52 2wv9A1 GLN 457 HE22 -0.40 0.06 -0.04 -0.04 7.69 7.27 2wv9A1 ARG 458 H -0.22 0.38 -0.07 -0.55 8.46 8.00 2wv9A1 ARG 458 HA -0.33 0.03 0.41 -0.75 4.34 3.70 2wv9A1 ARG 458 HB2 -0.28 0.14 0.12 -0.04 1.90 1.84 2wv9A1 ARG 458 HB3 -0.85 -0.03 -0.02 -0.04 1.80 0.86 2wv9A1 ARG 458 HG2 -1.51 -0.05 -0.03 -0.04 1.67 0.03 2wv9A1 ARG 458 HG3 -0.42 0.22 0.06 -0.04 1.67 1.49 2wv9A1 ARG 458 HD2 -0.26 -0.01 -0.03 -0.04 3.22 2.88 2wv9A1 ARG 458 HD3 -0.74 -0.04 -0.01 -0.04 3.22 2.39 2wv9A1 ARG 459 H -0.22 0.45 -0.26 -0.55 8.46 7.87 2wv9A1 ARG 459 HA -0.37 0.01 0.45 -0.75 4.34 3.67 2wv9A1 ARG 459 HB2 -0.91 0.03 0.08 -0.04 1.90 1.06 2wv9A1 ARG 459 HB3 -0.37 0.10 0.10 -0.04 1.80 1.59 2wv9A1 ARG 459 HG2 -0.33 0.05 -0.14 -0.04 1.67 1.21 2wv9A1 ARG 459 HG3 -1.18 -0.08 -0.01 -0.04 1.67 0.36 2wv9A1 ARG 459 HD2 -0.50 -0.07 -0.06 -0.04 3.22 2.56 2wv9A1 ARG 459 HD3 -0.26 0.14 0.07 -0.04 3.22 3.13 2wv9A1 GLY 460 H -0.09 0.13 -0.62 -0.55 8.43 7.30 2wv9A1 GLY 460 HA2 -0.02 0.13 0.34 -0.51 4.01 3.95 2wv9A1 GLY 460 HA3 -0.03 -0.01 0.33 -0.51 4.01 3.79 2wv9A1 ARG 461 H 0.14 0.22 -0.78 -0.55 8.46 7.49 2wv9A1 ARG 461 HA 0.21 0.08 0.66 -0.75 4.34 4.53 2wv9A1 ARG 461 HB2 0.34 0.05 -0.04 -0.04 1.90 2.20 2wv9A1 ARG 461 HB3 0.54 -0.13 0.02 -0.04 1.80 2.19 2wv9A1 ARG 461 HG2 0.43 0.19 0.00 -0.04 1.67 2.25 2wv9A1 ARG 461 HG3 0.64 -0.13 -0.05 -0.04 1.67 2.10 2wv9A1 ARG 461 HD2 0.53 -0.06 -0.08 -0.04 3.22 3.57 2wv9A1 ARG 461 HD3 0.33 0.05 0.02 -0.04 3.22 3.58 2wv9A1 VAL 462 H 0.12 0.42 -0.11 -0.55 8.24 8.12 2wv9A1 VAL 462 HA 0.13 0.17 0.84 -0.75 4.13 4.51 2wv9A1 VAL 462 HB 0.12 -0.07 -0.03 -0.04 2.12 2.10 2wv9A1 VAL 462 HG13 0.16 0.03 -0.48 -0.04 0.97 0.65 2wv9A1 VAL 462 HG23 0.14 0.05 -0.13 -0.04 0.95 0.96 2wv9A1 GLY 463 H 0.08 0.15 0.10 -0.55 8.43 8.22 2wv9A1 GLY 463 HA2 0.04 0.09 0.28 -0.51 4.01 3.91 2wv9A1 GLY 463 HA3 0.03 0.19 0.57 -0.51 4.01 4.29 2wv9A1 ARG 464 H 0.06 0.08 -0.30 -0.55 8.46 7.76 2wv9A1 ARG 464 HA 0.04 0.09 0.40 -0.75 4.34 4.11 2wv9A1 ARG 464 HB2 0.06 -0.01 0.02 -0.04 1.90 1.93 2wv9A1 ARG 464 HB3 0.05 -0.04 -0.15 -0.04 1.80 1.62 2wv9A1 ARG 464 HG2 0.05 -0.02 -0.07 -0.04 1.67 1.59 2wv9A1 ARG 464 HG3 0.06 0.14 -0.26 -0.04 1.67 1.58 2wv9A1 ARG 464 HD2 0.07 0.03 -0.02 -0.04 3.22 3.25 2wv9A1 ARG 464 HD3 0.04 -0.19 -0.13 -0.04 3.22 2.90 2wv9A1 ASN 465 H 0.05 0.05 -0.03 -0.55 8.53 8.05 2wv9A1 ASN 465 HA 0.03 0.09 0.44 -0.75 4.76 4.56 2wv9A1 ASN 465 HB2 0.05 0.06 0.14 -0.04 2.88 3.08 2wv9A1 ASN 465 HB3 0.04 0.00 0.18 -0.04 2.79 2.97 2wv9A1 ASN 465 HD21 0.03 0.02 0.00 -0.04 7.03 7.03 2wv9A1 ASN 465 HD22 0.04 0.08 0.02 -0.04 7.74 7.84 2wv9A1 PRO 466 HA 0.00 0.17 0.30 -0.51 4.44 4.40 2wv9A1 PRO 466 HB2 0.01 -0.02 -0.03 -0.04 2.28 2.19 2wv9A1 PRO 466 HB3 -0.00 0.06 0.08 -0.04 2.02 2.11 2wv9A1 PRO 466 HG2 0.01 -0.05 0.10 -0.04 2.03 2.05 2wv9A1 PRO 466 HG3 0.01 0.14 0.12 -0.04 2.03 2.26 2wv9A1 PRO 466 HD2 0.02 -0.01 0.23 -0.04 3.68 3.87 2wv9A1 PRO 466 HD3 0.02 0.29 0.37 -0.04 3.65 4.29 2wv9A1 SER 467 H 0.02 -0.02 -0.31 -0.55 8.46 7.60 2wv9A1 SER 467 HA 0.01 0.18 0.71 -0.75 4.49 4.64 2wv9A1 SER 467 HB2 0.01 0.01 0.04 -0.04 3.95 3.97 2wv9A1 SER 467 HB3 0.01 -0.02 0.01 -0.04 3.93 3.89 2wv9A1 GLN 468 H 0.02 0.04 -0.23 -0.55 8.47 7.76 2wv9A1 GLN 468 HA 0.02 0.13 0.87 -0.75 4.36 4.63 2wv9A1 GLN 468 HB2 0.03 -0.04 0.01 -0.04 2.15 2.11 2wv9A1 GLN 468 HB3 0.04 -0.07 0.14 -0.04 2.02 2.09 2wv9A1 GLN 468 HG2 0.05 -0.02 -0.22 -0.04 2.40 2.17 2wv9A1 GLN 468 HG3 0.04 0.05 -0.02 -0.04 2.39 2.42 2wv9A1 GLN 468 HE21 0.06 0.03 -0.08 -0.04 6.97 6.94 2wv9A1 GLN 468 HE22 0.07 -0.03 -0.01 -0.04 7.69 7.69 2wv9A1 ILE 469 H 0.03 0.17 0.13 -0.55 8.25 8.03 2wv9A1 ILE 469 HA 0.03 0.24 0.88 -0.75 4.18 4.57 2wv9A1 ILE 469 HB 0.01 -0.04 0.08 -0.04 1.89 1.89 2wv9A1 ILE 469 HG12 0.02 0.04 0.03 -0.04 1.49 1.54 2wv9A1 ILE 469 HG13 0.03 -0.02 -0.12 -0.04 1.21 1.07 2wv9A1 ILE 469 HG23 -0.00 0.02 -0.20 -0.04 0.93 0.71 2wv9A1 ILE 469 HD13 0.01 -0.01 -0.03 -0.04 0.88 0.81 2wv9A1 GLY 470 H 0.05 0.46 0.14 -0.55 8.43 8.54 2wv9A1 GLY 470 HA2 0.20 -0.03 0.17 -0.51 4.01 3.84 2wv9A1 GLY 470 HA3 0.17 0.02 0.37 -0.51 4.01 4.05 2wv9A1 ASP 471 H 0.10 0.16 -0.03 -0.55 8.40 8.08 2wv9A1 ASP 471 HA 0.13 0.12 0.63 -0.75 4.63 4.76 2wv9A1 ASP 471 HB2 0.09 -0.04 0.06 -0.04 2.71 2.78 2wv9A1 ASP 471 HB3 0.12 0.12 0.03 -0.04 2.70 2.93 2wv9A1 GLU 472 H 0.14 0.47 0.40 -0.55 8.60 9.06 2wv9A1 GLU 472 HA 0.13 0.19 0.89 -0.75 4.29 4.75 2wv9A1 GLU 472 HB2 0.11 -0.02 0.17 -0.04 2.09 2.31 2wv9A1 GLU 472 HB3 0.13 -0.05 -0.00 -0.04 1.99 2.03 2wv9A1 GLU 472 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.28 2wv9A1 GLU 472 HG3 0.08 0.12 -0.03 -0.04 2.34 2.46 2wv9A1 TYR 473 H 0.09 0.51 0.31 -0.55 8.29 8.64 2wv9A1 TYR 473 HA 0.12 0.18 0.90 -0.75 4.56 5.01 2wv9A1 TYR 473 HB2 0.10 0.08 -0.04 -0.04 3.06 3.16 2wv9A1 TYR 473 HB3 0.10 0.02 0.11 -0.04 2.98 3.17 2wv9A1 TYR 473 HD2 0.18 -0.02 -0.02 -0.04 7.15 7.24 2wv9A1 TYR 473 HE2 0.01 -0.05 -0.20 -0.04 6.85 6.57 2wv9A1 HIS 474 H 0.05 0.70 0.34 -0.55 8.41 8.95 2wv9A1 HIS 474 HA -0.25 0.35 1.05 -0.75 4.63 5.02 2wv9A1 HIS 474 HB2 -0.02 -0.04 0.20 -0.04 3.26 3.35 2wv9A1 HIS 474 HB3 -0.12 -0.01 -0.03 -0.04 3.20 3.00 2wv9A1 HIS 474 HD2 0.00 0.01 -0.17 -0.04 6.97 6.77 2wv9A1 HIS 474 HE1 -0.50 -0.02 -0.10 -0.04 7.75 7.09 2wv9A1 TYR 475 H -0.44 0.52 0.38 -0.55 8.29 8.20 2wv9A1 TYR 475 HA -0.19 0.31 1.08 -0.75 4.56 5.00 2wv9A1 TYR 475 HB2 -0.05 0.05 -0.04 -0.04 3.06 2.97 2wv9A1 TYR 475 HB3 -0.49 -0.00 -0.16 -0.04 2.98 2.29 2wv9A1 TYR 475 HD2 -0.08 0.11 -0.20 -0.04 7.15 6.94 2wv9A1 TYR 475 HE2 0.07 -0.03 -0.26 -0.04 6.85 6.59 2wv9A1 GLY 476 H 0.08 0.35 0.16 -0.55 8.43 8.48 2wv9A1 GLY 476 HA2 -0.03 0.06 0.95 -0.51 4.01 4.49 2wv9A1 GLY 476 HA3 0.03 -0.05 0.42 -0.51 4.01 3.90 2wv9A1 GLY 477 H 0.06 0.05 0.07 -0.55 8.43 8.06 2wv9A1 GLY 477 HA2 0.07 -0.07 0.38 -0.51 4.01 3.87 2wv9A1 GLY 477 HA3 0.07 0.19 0.62 -0.51 4.01 4.39 2wv9A1 GLY 478 H 0.06 0.03 0.12 -0.55 8.43 8.10 2wv9A1 GLY 478 HA2 0.08 0.11 0.44 -0.51 4.01 4.13 2wv9A1 GLY 478 HA3 0.05 -0.00 0.37 -0.51 4.01 3.92 2wv9A1 THR 479 H 0.01 0.10 0.16 -0.55 8.28 8.00 2wv9A1 THR 479 HA 0.01 0.32 0.82 -0.75 4.39 4.78 2wv9A1 THR 479 HB -0.03 -0.11 0.05 -0.04 4.32 4.19 2wv9A1 THR 479 HG23 -0.08 0.00 -0.22 -0.04 1.22 0.89 2wv9A1 SER 480 H 0.01 0.51 0.12 -0.55 8.46 8.56 2wv9A1 SER 480 HA 0.01 0.07 0.70 -0.75 4.49 4.52 2wv9A1 SER 480 HB2 0.02 0.07 -0.29 -0.04 3.95 3.71 2wv9A1 SER 480 HB3 0.03 0.23 -0.09 -0.04 3.93 4.05 2wv9A1 GLU 481 H 0.02 0.17 0.15 -0.55 8.60 8.39 2wv9A1 GLU 481 HA 0.04 0.18 0.89 -0.75 4.29 4.65 2wv9A1 GLU 481 HB2 0.01 0.05 0.05 -0.04 2.09 2.16 2wv9A1 GLU 481 HB3 0.02 0.05 0.15 -0.04 1.99 2.16 2wv9A1 GLU 481 HG2 0.01 -0.02 -0.06 -0.04 2.34 2.23 2wv9A1 GLU 481 HG3 0.01 0.10 -0.00 -0.04 2.34 2.41 2wv9A1 ASP 482 H 0.02 0.09 -0.04 -0.55 8.40 7.93 2wv9A1 ASP 482 HA 0.01 0.16 0.74 -0.75 4.63 4.79 2wv9A1 ASP 482 HB2 0.01 0.02 0.16 -0.04 2.71 2.86 2wv9A1 ASP 482 HB3 0.01 0.04 0.12 -0.04 2.70 2.83 2wv9A1 ASP 483 H 0.10 0.54 -0.12 -0.55 8.40 8.36 2wv9A1 ASP 483 HA 0.10 0.17 0.80 -0.75 4.63 4.96 2wv9A1 ASP 483 HB2 0.22 -0.06 0.16 -0.04 2.71 2.98 2wv9A1 ASP 483 HB3 0.14 0.05 -0.07 -0.04 2.70 2.79 2wv9A1 THR 484 H 0.03 0.10 -0.19 -0.55 8.28 7.67 2wv9A1 THR 484 HA -0.23 0.13 0.49 -0.75 4.39 4.02 2wv9A1 THR 484 HB -0.12 0.13 0.10 -0.04 4.32 4.40 2wv9A1 THR 484 HG23 -0.22 0.01 0.12 -0.04 1.22 1.09 2wv9A1 MET 485 H 0.04 0.06 -0.29 -0.55 8.47 7.74 2wv9A1 MET 485 HA 0.01 0.14 0.48 -0.75 4.52 4.40 2wv9A1 MET 485 HB2 -0.01 0.01 0.08 -0.04 2.15 2.19 2wv9A1 MET 485 HB3 0.00 0.02 0.09 -0.04 2.03 2.10 2wv9A1 MET 485 HG2 0.03 -0.05 0.00 -0.04 2.63 2.57 2wv9A1 MET 485 HG3 -0.00 -0.04 -0.13 -0.04 2.56 2.35 2wv9A1 MET 485 HE3 0.01 0.01 0.05 -0.04 2.10 2.14 2wv9A1 LEU 486 H 0.09 0.26 -0.41 -0.55 8.37 7.76 2wv9A1 LEU 486 HA -0.12 0.04 0.51 -0.75 4.35 4.03 2wv9A1 LEU 486 HB2 -0.25 0.32 0.16 -0.04 1.64 1.82 2wv9A1 LEU 486 HB3 -0.67 -0.21 0.11 -0.04 1.64 0.83 2wv9A1 LEU 486 HG -0.12 -0.00 0.03 -0.04 1.64 1.50 2wv9A1 LEU 486 HD13 0.00 -0.01 -0.02 -0.04 0.93 0.86 2wv9A1 LEU 486 HD23 0.00 0.01 0.05 -0.04 0.89 0.91 2wv9A1 ALA 487 H -0.23 0.69 0.37 -0.55 8.40 8.69 2wv9A1 ALA 487 HA -0.15 0.16 0.47 -0.75 4.34 4.07 2wv9A1 ALA 487 HB3 -0.18 -0.02 -0.04 -0.04 1.41 1.13 2wv9A1 HIS 488 H -0.49 0.16 0.01 -0.55 8.41 7.55 2wv9A1 HIS 488 HA -0.20 -0.02 0.27 -0.75 4.63 3.93 2wv9A1 HIS 488 HB2 -0.38 0.09 0.15 -0.04 3.26 3.08 2wv9A1 HIS 488 HB3 -0.30 -0.07 0.17 -0.04 3.20 2.96 2wv9A1 HIS 488 HD2 -0.31 -0.06 0.08 -0.04 6.97 6.64 2wv9A1 HIS 488 HE1 -2.00 0.04 -0.04 -0.04 7.75 5.71 2wv9A1 TRP 489 H -0.37 0.19 -0.53 -0.55 7.97 6.71 2wv9A1 TRP 489 HA 0.00 0.10 0.53 -0.75 4.62 4.50 2wv9A1 TRP 489 HB2 -0.14 0.12 0.06 -0.04 3.23 3.24 2wv9A1 TRP 489 HB3 -0.08 0.04 -0.10 -0.04 3.23 3.05 2wv9A1 TRP 489 HD1 -0.21 0.18 0.03 -0.04 7.22 7.17 2wv9A1 TRP 489 HE1 -0.08 0.21 -0.13 -0.04 10.20 10.16 2wv9A1 TRP 489 HE3 0.00 -0.02 -0.02 -0.04 7.59 7.52 2wv9A1 TRP 489 HZ2 0.08 -0.05 -0.04 -0.04 7.44 7.39 2wv9A1 TRP 489 HZ3 0.00 0.01 -0.03 -0.04 7.13 7.07 2wv9A1 TRP 489 HH2 0.03 0.00 -0.03 -0.04 7.19 7.15 2wv9A1 THR 490 H 0.09 0.27 0.00 -0.55 8.28 8.09 2wv9A1 THR 490 HA -0.03 0.08 0.37 -0.75 4.39 4.07 2wv9A1 THR 490 HB -0.01 -0.01 0.08 -0.04 4.32 4.34 2wv9A1 THR 490 HG23 -0.13 0.01 -0.06 -0.04 1.22 0.99 2wv9A1 GLU 491 H -0.04 0.50 -0.12 -0.55 8.60 8.39 2wv9A1 GLU 491 HA -0.11 0.07 0.27 -0.75 4.29 3.76 2wv9A1 GLU 491 HB2 -0.05 0.04 0.01 -0.04 2.09 2.05 2wv9A1 GLU 491 HB3 -0.03 -0.04 0.00 -0.04 1.99 1.89 2wv9A1 GLU 491 HG2 0.08 -0.01 -0.06 -0.04 2.34 2.30 2wv9A1 GLU 491 HG3 0.00 0.23 -0.01 -0.04 2.34 2.52 2wv9A1 ALA 492 H -0.03 0.32 -0.57 -0.55 8.40 7.58 2wv9A1 ALA 492 HA -0.06 0.06 0.54 -0.75 4.34 4.13 2wv9A1 ALA 492 HB3 0.01 0.05 0.13 -0.04 1.41 1.55 2wv9A1 LYS 493 H -0.03 0.43 -0.02 -0.55 8.42 8.25 2wv9A1 LYS 493 HA -0.00 0.07 0.46 -0.75 4.32 4.09 2wv9A1 LYS 493 HB2 0.07 -0.02 0.06 -0.04 1.87 1.94 2wv9A1 LYS 493 HB3 0.03 0.03 0.06 -0.04 1.79 1.87 2wv9A1 LYS 493 HG2 -0.05 0.06 0.16 -0.04 1.46 1.59 2wv9A1 LYS 493 HG3 -0.11 0.02 -0.12 -0.04 1.46 1.21 2wv9A1 LYS 493 HD2 0.16 -0.01 -0.09 -0.04 1.69 1.71 2wv9A1 LYS 493 HD3 0.04 0.04 -0.10 -0.04 1.68 1.62 2wv9A1 LYS 493 HE2 0.05 -0.06 -0.09 -0.04 2.99 2.85 2wv9A1 LYS 493 HE3 0.25 0.01 -0.07 -0.04 2.99 3.14 2wv9A1 ILE 494 H -0.30 0.50 -0.26 -0.55 8.25 7.64 2wv9A1 ILE 494 HA -0.38 0.04 0.54 -0.75 4.18 3.63 2wv9A1 ILE 494 HB -0.28 0.04 0.04 -0.04 1.89 1.65 2wv9A1 ILE 494 HG12 -1.63 0.02 -0.04 -0.04 1.49 -0.20 2wv9A1 ILE 494 HG13 -1.19 0.10 -0.03 -0.04 1.21 0.05 2wv9A1 ILE 494 HG23 -0.29 0.02 -0.17 -0.04 0.93 0.44 2wv9A1 ILE 494 HD13 -0.46 -0.05 -0.23 -0.04 0.88 0.10 2wv9A1 LEU 495 H -0.09 0.29 -0.33 -0.55 8.37 7.70 2wv9A1 LEU 495 HA 0.06 0.07 0.31 -0.75 4.35 4.04 2wv9A1 LEU 495 HB2 -0.05 0.21 0.21 -0.04 1.64 1.98 2wv9A1 LEU 495 HB3 -0.06 0.03 -0.05 -0.04 1.64 1.53 2wv9A1 LEU 495 HG -0.09 0.08 -0.05 -0.04 1.64 1.53 2wv9A1 LEU 495 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 2wv9A1 LEU 495 HD23 -0.14 -0.05 -0.18 -0.04 0.89 0.48 2wv9A1 LEU 496 H -0.03 0.13 -0.42 -0.55 8.37 7.50 2wv9A1 LEU 496 HA -0.01 0.13 0.48 -0.75 4.35 4.19 2wv9A1 LEU 496 HB2 -0.00 0.01 -0.02 -0.04 1.64 1.58 2wv9A1 LEU 496 HB3 0.01 -0.01 0.04 -0.04 1.64 1.63 2wv9A1 LEU 496 HG 0.03 0.08 -0.30 -0.04 1.64 1.40 2wv9A1 LEU 496 HD13 0.04 -0.01 -0.12 -0.04 0.93 0.80 2wv9A1 LEU 496 HD23 0.03 -0.04 -0.35 -0.04 0.89 0.49 2wv9A1 ASP 497 H -0.00 0.38 -0.17 -0.55 8.40 8.06 2wv9A1 ASP 497 HA -0.02 0.09 0.46 -0.75 4.63 4.41 2wv9A1 ASP 497 HB2 0.05 0.13 -0.10 -0.04 2.71 2.75 2wv9A1 ASP 497 HB3 0.01 -0.06 -0.11 -0.04 2.70 2.50 2wv9A1 ASN 498 H -0.02 0.17 -0.55 -0.55 8.53 7.58 2wv9A1 ASN 498 HA -0.07 0.06 0.55 -0.75 4.76 4.54 2wv9A1 ASN 498 HB2 0.07 0.05 -0.03 -0.04 2.88 2.93 2wv9A1 ASN 498 HB3 0.11 0.01 0.08 -0.04 2.79 2.94 2wv9A1 ASN 498 HD21 -0.34 -0.00 0.00 -0.04 7.03 6.65 2wv9A1 ASN 498 HD22 -0.12 0.00 -0.06 -0.04 7.74 7.52 2wv9A1 ILE 499 H -0.06 0.23 -0.59 -0.55 8.25 7.29 2wv9A1 ILE 499 HA 0.01 0.26 0.77 -0.75 4.18 4.47 2wv9A1 ILE 499 HB -0.02 0.04 0.07 -0.04 1.89 1.93 2wv9A1 ILE 499 HG12 -0.06 0.03 -0.30 -0.04 1.49 1.12 2wv9A1 ILE 499 HG13 -0.03 0.11 -0.09 -0.04 1.21 1.16 2wv9A1 ILE 499 HG23 -0.09 0.03 -0.17 -0.04 0.93 0.66 2wv9A1 ILE 499 HD13 -0.09 -0.07 -0.07 -0.04 0.88 0.60 2wv9A1 HIS 500 H 0.15 0.34 0.15 -0.55 8.41 8.50 2wv9A1 HIS 500 HA 0.04 0.14 0.85 -0.75 4.63 4.90 2wv9A1 HIS 500 HB2 0.02 0.09 0.08 -0.04 3.26 3.41 2wv9A1 HIS 500 HB3 0.03 -0.06 -0.06 -0.04 3.20 3.06 2wv9A1 HIS 500 HD2 0.02 -0.05 -0.02 -0.04 6.97 6.88 2wv9A1 HIS 500 HE1 0.03 -0.03 -0.04 -0.04 7.75 7.66 2wv9A1 LEU 501 H 0.11 0.31 0.21 -0.55 8.37 8.45 2wv9A1 LEU 501 HA 0.15 0.20 0.85 -0.75 4.35 4.79 2wv9A1 LEU 501 HB2 0.08 0.15 -0.08 -0.04 1.64 1.76 2wv9A1 LEU 501 HB3 0.09 0.08 -0.10 -0.04 1.64 1.67 2wv9A1 LEU 501 HG 0.24 0.05 -0.07 -0.04 1.64 1.81 2wv9A1 LEU 501 HD13 0.19 -0.03 -0.40 -0.04 0.93 0.66 2wv9A1 LEU 501 HD23 0.05 -0.02 -0.24 -0.04 0.89 0.64 2wv9A1 PRO 502 HA 0.06 0.01 0.59 -0.51 4.44 4.59 2wv9A1 PRO 502 HB2 0.04 0.01 0.00 -0.04 2.28 2.29 2wv9A1 PRO 502 HB3 0.04 0.02 0.10 -0.04 2.02 2.15 2wv9A1 PRO 502 HG2 0.06 0.05 0.02 -0.04 2.03 2.12 2wv9A1 PRO 502 HG3 0.06 0.06 0.05 -0.04 2.03 2.16 2wv9A1 PRO 502 HD2 0.12 0.13 0.22 -0.04 3.68 4.10 2wv9A1 PRO 502 HD3 0.10 0.20 0.09 -0.04 3.65 4.00 2wv9A1 ASN 503 H 0.03 0.09 0.17 -0.55 8.53 8.27 2wv9A1 ASN 503 HA 0.02 -0.01 0.31 -0.75 4.76 4.32 2wv9A1 ASN 503 HB2 0.03 0.31 0.26 -0.04 2.88 3.44 2wv9A1 ASN 503 HB3 0.02 -0.01 0.19 -0.04 2.79 2.95 2wv9A1 ASN 503 HD21 0.02 -0.02 -0.05 -0.04 7.03 6.94 2wv9A1 ASN 503 HD22 0.02 0.05 -0.03 -0.04 7.74 7.74 2wv9A1 GLY 504 H 0.04 0.02 -0.02 -0.55 8.43 7.92 2wv9A1 GLY 504 HA2 0.04 0.02 0.28 -0.51 4.01 3.84 2wv9A1 GLY 504 HA3 0.03 -0.01 0.37 -0.51 4.01 3.89 2wv9A1 LEU 505 H 0.05 0.29 -0.27 -0.55 8.37 7.89 2wv9A1 LEU 505 HA 0.02 0.15 0.86 -0.75 4.35 4.63 2wv9A1 LEU 505 HB2 0.05 -0.02 -0.16 -0.04 1.64 1.46 2wv9A1 LEU 505 HB3 0.03 -0.01 -0.09 -0.04 1.64 1.52 2wv9A1 LEU 505 HG 0.03 0.03 -0.38 -0.04 1.64 1.28 2wv9A1 LEU 505 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.82 2wv9A1 LEU 505 HD23 0.02 0.01 -0.13 -0.04 0.89 0.75 2wv9A1 VAL 506 H 0.02 0.20 0.12 -0.55 8.24 8.03 2wv9A1 VAL 506 HA 0.01 0.21 0.85 -0.75 4.13 4.45 2wv9A1 VAL 506 HB 0.00 0.04 -0.04 -0.04 2.12 2.08 2wv9A1 VAL 506 HG13 -0.01 0.02 -0.08 -0.04 0.97 0.86 2wv9A1 VAL 506 HG23 0.01 -0.00 -0.02 -0.04 0.95 0.90 2wv9A1 ALA 507 H 0.03 0.25 0.05 -0.55 8.40 8.18 2wv9A1 ALA 507 HA 0.04 0.08 0.35 -0.75 4.34 4.06 2wv9A1 ALA 507 HB3 0.09 0.03 -0.08 -0.04 1.41 1.41 2wv9A1 GLN 508 H 0.03 0.31 0.09 -0.55 8.47 8.36 2wv9A1 GLN 508 HA 0.03 0.05 0.74 -0.75 4.36 4.43 2wv9A1 GLN 508 HB2 0.02 0.07 -0.17 -0.04 2.15 2.03 2wv9A1 GLN 508 HB3 0.02 0.04 -0.00 -0.04 2.02 2.04 2wv9A1 GLN 508 HG2 0.02 0.08 -0.07 -0.04 2.40 2.40 2wv9A1 GLN 508 HG3 0.03 -0.07 0.07 -0.04 2.39 2.38 2wv9A1 GLN 508 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.91 2wv9A1 GLN 508 HE22 0.02 0.03 -0.05 -0.04 7.69 7.66 2wv9A1 LEU 509 H 0.02 0.08 0.05 -0.55 8.37 7.98 2wv9A1 LEU 509 HA 0.07 -0.01 0.28 -0.75 4.35 3.93 2wv9A1 LEU 509 HB2 -0.01 0.02 -0.05 -0.04 1.64 1.56 2wv9A1 LEU 509 HB3 0.05 0.01 -0.12 -0.04 1.64 1.54 2wv9A1 LEU 509 HG 0.02 -0.01 -0.02 -0.04 1.64 1.59 2wv9A1 LEU 509 HD13 0.01 0.02 -0.06 -0.04 0.93 0.86 2wv9A1 LEU 509 HD23 0.07 -0.01 -0.17 -0.04 0.89 0.73 2wv9A1 TYR 510 H 0.19 0.07 0.00 -0.55 8.29 8.00 2wv9A1 TYR 510 HA 0.04 0.13 0.47 -0.75 4.56 4.45 2wv9A1 TYR 510 HB2 0.07 0.16 -0.09 -0.04 3.06 3.16 2wv9A1 TYR 510 HB3 0.04 -0.09 0.04 -0.04 2.98 2.92 2wv9A1 TYR 510 HD2 0.08 0.00 -0.00 -0.04 7.15 7.19 2wv9A1 TYR 510 HE2 0.10 0.04 -0.02 -0.04 6.85 6.93 2wv9A1 GLY 511 H -0.21 0.19 0.16 -0.55 8.43 8.03 2wv9A1 GLY 511 HA2 -0.12 0.07 0.29 -0.51 4.01 3.75 2wv9A1 GLY 511 HA3 -0.26 0.08 0.35 -0.51 4.01 3.67 2wv9A1 PRO 512 HA -0.12 0.06 0.44 -0.51 4.44 4.31 2wv9A1 PRO 512 HB2 -0.05 -0.03 -0.16 -0.04 2.28 2.00 2wv9A1 PRO 512 HB3 -0.05 0.08 0.03 -0.04 2.02 2.04 2wv9A1 PRO 512 HG2 -0.27 0.08 0.01 -0.04 2.03 1.81 2wv9A1 PRO 512 HG3 -0.20 0.03 0.04 -0.04 2.03 1.86 2wv9A1 PRO 512 HD2 -1.64 0.05 -0.18 -0.04 3.68 1.87 2wv9A1 PRO 512 HD3 -0.62 0.10 0.09 -0.04 3.65 3.18 2wv9A1 GLU 513 H -0.09 0.76 -0.33 -0.55 8.60 8.39 2wv9A1 GLU 513 HA -0.11 0.14 0.82 -0.75 4.29 4.39 2wv9A1 GLU 513 HB2 0.11 0.13 -0.01 -0.04 2.09 2.28 2wv9A1 GLU 513 HB3 0.13 -0.08 0.06 -0.04 1.99 2.06 2wv9A1 GLU 513 HG2 0.26 -0.04 -0.09 -0.04 2.34 2.43 2wv9A1 GLU 513 HG3 0.18 -0.01 -0.26 -0.04 2.34 2.20 2wv9A1 ARG 514 H -0.12 0.47 -0.18 -0.55 8.46 8.09 2wv9A1 ARG 514 HA -0.22 0.03 0.32 -0.75 4.34 3.71 2wv9A1 ARG 514 HB2 -0.06 0.16 0.08 -0.04 1.90 2.05 2wv9A1 ARG 514 HB3 -0.05 -0.01 -0.06 -0.04 1.80 1.65 2wv9A1 ARG 514 HG2 -0.04 -0.10 -0.06 -0.04 1.67 1.43 2wv9A1 ARG 514 HG3 -0.04 0.04 -0.41 -0.04 1.67 1.22 2wv9A1 ARG 514 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.14 2wv9A1 ARG 514 HD3 0.03 -0.05 -0.04 -0.04 3.22 3.12 2wv9A1 ASP 515 H -0.17 0.16 -0.27 -0.55 8.40 7.57 2wv9A1 ASP 515 HA -0.08 0.08 0.27 -0.75 4.63 4.15 2wv9A1 ASP 515 HB2 -0.11 0.04 -0.03 -0.04 2.71 2.56 2wv9A1 ASP 515 HB3 -0.05 -0.02 -0.03 -0.04 2.70 2.56 2wv9A1 LYS 516 H -0.49 0.30 -0.61 -0.55 8.42 7.06 2wv9A1 LYS 516 HA -0.53 -0.01 0.32 -0.75 4.32 3.34 2wv9A1 LYS 516 HB2 -1.16 0.19 0.07 -0.04 1.87 0.94 2wv9A1 LYS 516 HB3 -2.10 -0.09 0.01 -0.04 1.79 -0.44 2wv9A1 LYS 516 HG2 -0.58 -0.01 -0.02 -0.04 1.46 0.81 2wv9A1 LYS 516 HG3 -1.50 -0.03 0.02 -0.04 1.46 -0.08 2wv9A1 LYS 516 HD2 -0.78 -0.08 -0.05 -0.04 1.69 0.74 2wv9A1 LYS 516 HD3 -0.45 0.01 -0.04 -0.04 1.68 1.16 2wv9A1 LYS 516 HE2 -0.16 0.07 -0.01 -0.04 2.99 2.86 2wv9A1 LYS 516 HE3 -0.01 -0.03 0.00 -0.04 2.99 2.91 2wv9A1 THR 517 H -0.56 0.41 -0.18 -0.55 8.28 7.40 2wv9A1 THR 517 HA -0.20 0.12 0.76 -0.75 4.39 4.32 2wv9A1 THR 517 HB -0.05 -0.03 -0.08 -0.04 4.32 4.12 2wv9A1 THR 517 HG23 -0.10 -0.01 -0.32 -0.04 1.22 0.75 2wv9A1 TYR 518 H 0.01 0.18 0.01 -0.55 8.29 7.93 2wv9A1 TYR 518 HA -0.03 0.22 0.95 -0.75 4.56 4.95 2wv9A1 TYR 518 HB2 -0.05 -0.04 0.08 -0.04 3.06 3.02 2wv9A1 TYR 518 HB3 -0.03 -0.01 -0.01 -0.04 2.98 2.88 2wv9A1 TYR 518 HD2 -0.05 -0.01 -0.04 -0.04 7.15 7.00 2wv9A1 TYR 518 HE2 -0.06 -0.05 -0.06 -0.04 6.85 6.64 2wv9A1 THR 519 H 0.08 0.27 0.04 -0.55 8.28 8.12 2wv9A1 THR 519 HA 0.04 0.17 0.56 -0.75 4.39 4.40 2wv9A1 THR 519 HB -0.06 -0.03 0.11 -0.04 4.32 4.30 2wv9A1 THR 519 HG23 0.05 -0.00 -0.10 -0.04 1.22 1.13 2wv9A1 MET 520 H -0.04 0.11 0.09 -0.55 8.47 8.08 2wv9A1 MET 520 HA -0.02 0.04 0.37 -0.75 4.52 4.16 2wv9A1 MET 520 HB2 -0.09 -0.04 0.02 -0.04 2.15 2.00 2wv9A1 MET 520 HB3 -0.04 0.09 -0.01 -0.04 2.03 2.02 2wv9A1 MET 520 HG2 -0.03 0.01 0.06 -0.04 2.63 2.62 2wv9A1 MET 520 HG3 -0.06 -0.04 0.10 -0.04 2.56 2.52 2wv9A1 MET 520 HE3 -0.07 0.01 -0.01 -0.04 2.10 1.99 2wv9A1 ASP 521 H -0.00 0.12 0.16 -0.55 8.40 8.13 2wv9A1 ASP 521 HA 0.01 0.02 0.51 -0.75 4.63 4.41 2wv9A1 ASP 521 HB2 0.02 -0.01 0.16 -0.04 2.71 2.84 2wv9A1 ASP 521 HB3 0.01 0.02 0.15 -0.04 2.70 2.84 2wv9A1 GLY 522 H 0.00 0.10 0.26 -0.55 8.43 8.25 2wv9A1 GLY 522 HA2 -0.01 0.03 0.35 -0.51 4.01 3.87 2wv9A1 GLY 522 HA3 -0.02 0.22 0.74 -0.51 4.01 4.44 2wv9A1 GLU 523 H -0.10 0.27 0.06 -0.55 8.60 8.28 2wv9A1 GLU 523 HA -0.13 0.13 0.40 -0.75 4.29 3.93 2wv9A1 GLU 523 HB2 -0.21 0.05 0.05 -0.04 2.09 1.93 2wv9A1 GLU 523 HB3 -0.61 -0.05 0.05 -0.04 1.99 1.34 2wv9A1 GLU 523 HG2 -0.35 0.04 -0.09 -0.04 2.34 1.90 2wv9A1 GLU 523 HG3 -0.18 -0.00 0.03 -0.04 2.34 2.14 2wv9A1 TYR 524 H -0.04 0.02 -0.14 -0.55 8.29 7.58 2wv9A1 TYR 524 HA 0.03 0.18 0.45 -0.75 4.56 4.47 2wv9A1 TYR 524 HB2 -0.16 0.06 0.07 -0.04 3.06 2.99 2wv9A1 TYR 524 HB3 -0.32 0.01 0.14 -0.04 2.98 2.77 2wv9A1 TYR 524 HD2 -0.60 0.06 -0.12 -0.04 7.15 6.46 2wv9A1 TYR 524 HE2 -0.20 0.00 -0.09 -0.04 6.85 6.52 2wv9A1 ARG 525 H 0.00 0.19 -0.66 -0.55 8.46 7.44 2wv9A1 ARG 525 HA -0.00 0.06 0.37 -0.75 4.34 4.01 2wv9A1 ARG 525 HB2 -0.03 -0.01 -0.01 -0.04 1.90 1.81 2wv9A1 ARG 525 HB3 -0.01 0.02 -0.00 -0.04 1.80 1.76 2wv9A1 ARG 525 HG2 0.02 -0.06 -0.17 -0.04 1.67 1.41 2wv9A1 ARG 525 HG3 -0.06 0.02 -0.01 -0.04 1.67 1.58 2wv9A1 ARG 525 HD2 -0.17 -0.03 -0.03 -0.04 3.22 2.96 2wv9A1 ARG 525 HD3 -0.14 0.19 0.07 -0.04 3.22 3.30 2wv9A1 LEU 526 H 0.01 0.18 0.12 -0.55 8.37 8.13 2wv9A1 LEU 526 HA -0.02 0.20 0.79 -0.75 4.35 4.56 2wv9A1 LEU 526 HB2 -0.07 0.06 0.01 -0.04 1.64 1.60 2wv9A1 LEU 526 HB3 -0.03 -0.10 -0.14 -0.04 1.64 1.32 2wv9A1 LEU 526 HG -0.15 -0.03 -0.11 -0.04 1.64 1.30 2wv9A1 LEU 526 HD13 -0.11 0.12 -0.31 -0.04 0.93 0.59 2wv9A1 LEU 526 HD23 -0.35 -0.00 -0.22 -0.04 0.89 0.28 2wv9A1 ARG 527 H -0.02 0.15 0.15 -0.55 8.46 8.19 2wv9A1 ARG 527 HA 0.02 0.17 0.46 -0.75 4.34 4.24 2wv9A1 ARG 527 HB2 -0.00 0.14 0.15 -0.04 1.90 2.14 2wv9A1 ARG 527 HB3 -0.00 -0.08 0.14 -0.04 1.80 1.82 2wv9A1 ARG 527 HG2 0.01 -0.17 0.05 -0.04 1.67 1.52 2wv9A1 ARG 527 HG3 0.01 0.09 0.11 -0.04 1.67 1.83 2wv9A1 ARG 527 HD2 0.01 0.02 0.03 -0.04 3.22 3.24 2wv9A1 ARG 527 HD3 0.00 0.09 0.04 -0.04 3.22 3.31 2wv9A1 GLY 528 H 0.02 0.20 0.18 -0.55 8.43 8.28 2wv9A1 GLY 528 HA2 0.03 0.15 0.30 -0.51 4.01 3.99 2wv9A1 GLY 528 HA3 0.02 0.07 0.35 -0.51 4.01 3.94 2wv9A1 GLU 529 H 0.02 0.02 -0.29 -0.55 8.60 7.80 2wv9A1 GLU 529 HA 0.03 0.19 0.83 -0.75 4.29 4.58 2wv9A1 GLU 529 HB2 0.02 0.00 0.05 -0.04 2.09 2.12 2wv9A1 GLU 529 HB3 0.03 0.03 0.01 -0.04 1.99 2.02 2wv9A1 GLU 529 HG2 0.02 -0.07 -0.10 -0.04 2.34 2.15 2wv9A1 GLU 529 HG3 0.02 0.03 -0.00 -0.04 2.34 2.35 2wv9A1 GLU 530 H 0.01 0.06 -0.01 -0.55 8.60 8.11 2wv9A1 GLU 530 HA 0.02 0.14 0.52 -0.75 4.29 4.21 2wv9A1 GLU 530 HB2 -0.03 -0.08 0.11 -0.04 2.09 2.05 2wv9A1 GLU 530 HB3 -0.07 0.06 -0.09 -0.04 1.99 1.85 2wv9A1 GLU 530 HG2 -0.03 0.09 0.05 -0.04 2.34 2.41 2wv9A1 GLU 530 HG3 -0.01 -0.17 0.05 -0.04 2.34 2.17 2wv9A1 ARG 531 H 0.04 0.82 -0.11 -0.55 8.46 8.65 2wv9A1 ARG 531 HA 0.13 0.04 0.30 -0.75 4.34 4.06 2wv9A1 ARG 531 HB2 0.06 0.04 -0.24 -0.04 1.90 1.71 2wv9A1 ARG 531 HB3 0.07 -0.01 -0.16 -0.04 1.80 1.67 2wv9A1 ARG 531 HG2 0.13 0.04 -0.17 -0.04 1.67 1.62 2wv9A1 ARG 531 HG3 0.18 -0.07 0.00 -0.04 1.67 1.74 2wv9A1 ARG 531 HD2 0.19 0.20 0.02 -0.04 3.22 3.59 2wv9A1 ARG 531 HD3 0.10 -0.18 0.06 -0.04 3.22 3.15 2wv9A1 LYS 532 H 0.06 0.22 -0.41 -0.55 8.42 7.74 2wv9A1 LYS 532 HA 0.05 0.10 0.45 -0.75 4.32 4.17 2wv9A1 LYS 532 HB2 0.03 0.21 0.16 -0.04 1.87 2.23 2wv9A1 LYS 532 HB3 0.03 0.02 0.04 -0.04 1.79 1.84 2wv9A1 LYS 532 HG2 -0.00 -0.06 0.02 -0.04 1.46 1.38 2wv9A1 LYS 532 HG3 0.01 0.02 0.08 -0.04 1.46 1.53 2wv9A1 LYS 532 HD2 0.01 0.07 0.07 -0.04 1.69 1.81 2wv9A1 LYS 532 HD3 0.01 -0.04 0.03 -0.04 1.68 1.64 2wv9A1 LYS 532 HE2 -0.00 -0.03 0.02 -0.04 2.99 2.93 2wv9A1 LYS 532 HE3 0.00 0.02 0.04 -0.04 2.99 3.01 2wv9A1 THR 533 H 0.08 0.31 -0.40 -0.55 8.28 7.71 2wv9A1 THR 533 HA 0.07 0.01 0.55 -0.75 4.39 4.26 2wv9A1 THR 533 HB 0.10 0.17 0.17 -0.04 4.32 4.71 2wv9A1 THR 533 HG23 0.22 0.01 -0.09 -0.04 1.22 1.31 2wv9A1 PHE 534 H 0.21 0.60 -0.08 -0.55 8.34 8.52 2wv9A1 PHE 534 HA 0.01 0.04 0.45 -0.75 4.62 4.36 2wv9A1 PHE 534 HB2 -0.05 -0.01 0.06 -0.04 3.15 3.11 2wv9A1 PHE 534 HB3 -0.00 0.13 0.14 -0.04 3.06 3.28 2wv9A1 PHE 534 HD2 -0.01 0.10 -0.28 -0.04 7.28 7.05 2wv9A1 PHE 534 HE2 0.00 0.04 -0.11 -0.04 7.38 7.27 2wv9A1 PHE 534 HZ -0.02 -0.07 -0.14 -0.04 7.32 7.04 2wv9A1 LEU 535 H 0.06 0.42 -0.35 -0.55 8.37 7.95 2wv9A1 LEU 535 HA -0.29 0.04 0.42 -0.75 4.35 3.77 2wv9A1 LEU 535 HB2 0.04 0.21 0.12 -0.04 1.64 1.97 2wv9A1 LEU 535 HB3 -0.02 0.09 0.05 -0.04 1.64 1.72 2wv9A1 LEU 535 HG -0.02 -0.11 0.03 -0.04 1.64 1.50 2wv9A1 LEU 535 HD13 0.03 0.03 -0.08 -0.04 0.93 0.88 2wv9A1 LEU 535 HD23 0.01 0.00 -0.02 -0.04 0.89 0.84 2wv9A1 GLU 536 H -0.06 0.36 -0.32 -0.55 8.60 8.03 2wv9A1 GLU 536 HA -0.11 0.03 0.68 -0.75 4.29 4.13 2wv9A1 GLU 536 HB2 -0.34 0.14 0.13 -0.04 2.09 1.98 2wv9A1 GLU 536 HB3 -0.64 -0.06 0.11 -0.04 1.99 1.36 2wv9A1 GLU 536 HG2 -0.13 0.37 0.14 -0.04 2.34 2.68 2wv9A1 GLU 536 HG3 -0.29 -0.04 0.05 -0.04 2.34 2.02 2wv9A1 LEU 537 H 0.00 0.37 -0.31 -0.55 8.37 7.88 2wv9A1 LEU 537 HA 0.26 0.07 0.57 -0.75 4.35 4.50 2wv9A1 LEU 537 HB2 0.02 0.16 0.12 -0.04 1.64 1.90 2wv9A1 LEU 537 HB3 0.05 -0.09 0.00 -0.04 1.64 1.56 2wv9A1 LEU 537 HG 0.38 0.11 -0.00 -0.04 1.64 2.10 2wv9A1 LEU 537 HD13 0.12 -0.01 -0.06 -0.04 0.93 0.93 2wv9A1 LEU 537 HD23 0.30 -0.00 -0.04 -0.04 0.89 1.11 2wv9A1 ILE 538 H -0.17 0.30 -0.31 -0.55 8.25 7.52 2wv9A1 ILE 538 HA -0.07 0.15 0.80 -0.75 4.18 4.30 2wv9A1 ILE 538 HB -0.06 -0.07 0.01 -0.04 1.89 1.72 2wv9A1 ILE 538 HG12 -0.50 0.20 0.12 -0.04 1.49 1.27 2wv9A1 ILE 538 HG13 -0.13 0.14 0.02 -0.04 1.21 1.20 2wv9A1 ILE 538 HG23 -0.27 0.04 -0.12 -0.04 0.93 0.54 2wv9A1 ILE 538 HD13 -0.15 -0.02 -0.05 -0.04 0.88 0.62 2wv9A1 LYS 539 H -0.06 0.18 -0.19 -0.55 8.42 7.80 2wv9A1 LYS 539 HA -0.08 0.12 0.67 -0.75 4.32 4.27 2wv9A1 LYS 539 HB2 -0.05 0.07 0.12 -0.04 1.87 1.97 2wv9A1 LYS 539 HB3 -0.05 -0.04 0.23 -0.04 1.79 1.89 2wv9A1 LYS 539 HG2 -0.04 0.00 -0.17 -0.04 1.46 1.21 2wv9A1 LYS 539 HG3 -0.09 -0.04 0.01 -0.04 1.46 1.30 2wv9A1 LYS 539 HD2 -0.04 0.02 -0.01 -0.04 1.69 1.62 2wv9A1 LYS 539 HD3 -0.04 0.00 -0.01 -0.04 1.68 1.59 2wv9A1 LYS 539 HE2 -0.05 -0.03 -0.02 -0.04 2.99 2.84 2wv9A1 LYS 539 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2wv9A1 THR 540 H 0.01 0.31 0.15 -0.55 8.28 8.20 2wv9A1 THR 540 HA 0.08 0.09 0.44 -0.75 4.39 4.25 2wv9A1 THR 540 HB 0.13 0.13 0.15 -0.04 4.32 4.69 2wv9A1 THR 540 HG23 0.16 -0.01 -0.01 -0.04 1.22 1.32 2wv9A1 ALA 541 H 0.16 0.21 -0.08 -0.55 8.40 8.14 2wv9A1 ALA 541 HA 0.31 0.17 0.58 -0.75 4.34 4.65 2wv9A1 ALA 541 HB3 -0.01 0.01 0.05 -0.04 1.41 1.42 2wv9A1 ASP 542 H 0.02 0.03 -0.64 -0.55 8.40 7.26 2wv9A1 ASP 542 HA -0.07 0.14 0.18 -0.75 4.63 4.13 2wv9A1 ASP 542 HB2 -0.18 0.06 -0.19 -0.04 2.71 2.36 2wv9A1 ASP 542 HB3 -0.32 0.10 0.01 -0.04 2.70 2.45 2wv9A1 LEU 543 H -0.04 0.50 0.07 -0.55 8.37 8.36 2wv9A1 LEU 543 HA 0.01 0.15 0.79 -0.75 4.35 4.55 2wv9A1 LEU 543 HB2 -0.02 0.24 -0.00 -0.04 1.64 1.81 2wv9A1 LEU 543 HB3 0.03 -0.08 -0.13 -0.04 1.64 1.42 2wv9A1 LEU 543 HG 0.14 -0.06 -0.03 -0.04 1.64 1.64 2wv9A1 LEU 543 HD13 -0.42 0.04 -0.22 -0.04 0.93 0.28 2wv9A1 LEU 543 HD23 0.14 -0.02 -0.14 -0.04 0.89 0.83 2wv9A1 PRO 544 HA 0.01 0.09 0.49 -0.51 4.44 4.51 2wv9A1 PRO 544 HB2 0.14 -0.19 -0.00 -0.04 2.28 2.18 2wv9A1 PRO 544 HB3 0.04 -0.02 0.09 -0.04 2.02 2.09 2wv9A1 PRO 544 HG2 0.04 -0.03 0.02 -0.04 2.03 2.02 2wv9A1 PRO 544 HG3 -0.01 0.08 0.02 -0.04 2.03 2.08 2wv9A1 PRO 544 HD2 0.09 0.09 0.15 -0.04 3.68 3.97 2wv9A1 PRO 544 HD3 0.03 0.32 0.17 -0.04 3.65 4.13 2wv9A1 VAL 545 H 0.03 0.11 0.14 -0.55 8.24 7.97 2wv9A1 VAL 545 HA 0.09 0.20 0.25 -0.75 4.13 3.93 2wv9A1 VAL 545 HB 0.04 -0.14 0.11 -0.04 2.12 2.09 2wv9A1 VAL 545 HG13 0.12 0.08 -0.07 -0.04 0.97 1.06 2wv9A1 VAL 545 HG23 -0.01 0.02 0.03 -0.04 0.95 0.95 2wv9A1 TRP 546 H 0.23 -0.00 -0.16 -0.55 7.97 7.49 2wv9A1 TRP 546 HA -0.08 0.15 0.39 -0.75 4.62 4.33 2wv9A1 TRP 546 HB2 -0.09 -0.02 0.03 -0.04 3.23 3.11 2wv9A1 TRP 546 HB3 -0.05 -0.09 0.01 -0.04 3.23 3.05 2wv9A1 TRP 546 HD1 -0.12 -0.01 -0.06 -0.04 7.22 6.99 2wv9A1 TRP 546 HE1 -0.03 0.10 -0.07 -0.04 10.20 10.16 2wv9A1 TRP 546 HE3 -0.02 -0.11 -0.26 -0.04 7.59 7.16 2wv9A1 TRP 546 HZ2 0.05 0.12 -0.10 -0.04 7.44 7.47 2wv9A1 TRP 546 HZ3 0.12 0.02 -0.37 -0.04 7.13 6.86 2wv9A1 TRP 546 HH2 0.19 0.14 -0.32 -0.04 7.19 7.16 2wv9A1 LEU 547 H 0.29 0.01 -0.29 -0.55 8.37 7.82 2wv9A1 LEU 547 HA -0.32 0.08 0.29 -0.75 4.35 3.65 2wv9A1 LEU 547 HB2 0.33 -0.13 -0.00 -0.04 1.64 1.80 2wv9A1 LEU 547 HB3 0.13 0.11 -0.00 -0.04 1.64 1.84 2wv9A1 LEU 547 HG 0.09 0.05 -0.18 -0.04 1.64 1.56 2wv9A1 LEU 547 HD13 0.34 -0.00 -0.15 -0.04 0.93 1.09 2wv9A1 LEU 547 HD23 0.33 0.00 -0.04 -0.04 0.89 1.14 2wv9A1 ALA 548 H 0.03 0.57 -0.27 -0.55 8.40 8.19 2wv9A1 ALA 548 HA -0.04 0.05 0.36 -0.75 4.34 3.96 2wv9A1 ALA 548 HB3 0.04 0.03 -0.11 -0.04 1.41 1.32 2wv9A1 TYR 549 H 0.06 0.38 -0.35 -0.55 8.29 7.84 2wv9A1 TYR 549 HA -0.23 0.05 0.47 -0.75 4.56 4.10 2wv9A1 TYR 549 HB2 -0.26 0.04 0.07 -0.04 3.06 2.87 2wv9A1 TYR 549 HB3 -0.41 0.09 0.13 -0.04 2.98 2.75 2wv9A1 TYR 549 HD2 -0.53 0.03 -0.12 -0.04 7.15 6.48 2wv9A1 TYR 549 HE2 -0.10 0.12 -0.06 -0.04 6.85 6.77 2wv9A1 LYS 550 H -0.65 0.41 -0.16 -0.55 8.42 7.47 2wv9A1 LYS 550 HA -0.91 0.03 0.32 -0.75 4.32 3.01 2wv9A1 LYS 550 HB2 -1.39 0.11 0.09 -0.04 1.87 0.64 2wv9A1 LYS 550 HB3 -3.10 -0.02 -0.08 -0.04 1.79 -1.45 2wv9A1 LYS 550 HG2 -1.45 0.04 0.00 -0.04 1.46 0.01 2wv9A1 LYS 550 HG3 -2.09 -0.08 -0.10 -0.04 1.46 -0.85 2wv9A1 LYS 550 HD2 -1.45 -0.01 -0.06 -0.04 1.69 0.13 2wv9A1 LYS 550 HD3 -0.85 -0.02 0.00 -0.04 1.68 0.77 2wv9A1 LYS 550 HE2 -0.49 -0.09 -0.03 -0.04 2.99 2.33 2wv9A1 LYS 550 HE3 -0.33 -0.02 -0.05 -0.04 2.99 2.55 2wv9A1 VAL 551 H -0.66 0.33 -0.37 -0.55 8.24 6.98 2wv9A1 VAL 551 HA -0.51 0.02 0.40 -0.75 4.13 3.29 2wv9A1 VAL 551 HB -0.24 0.09 0.07 -0.04 2.12 2.00 2wv9A1 VAL 551 HG13 -0.13 0.01 -0.17 -0.04 0.97 0.63 2wv9A1 VAL 551 HG23 -0.91 0.05 -0.03 -0.04 0.95 0.02 2wv9A1 ALA 552 H -0.23 0.43 -0.08 -0.55 8.40 7.98 2wv9A1 ALA 552 HA -0.07 0.12 0.41 -0.75 4.34 4.05 2wv9A1 ALA 552 HB3 -0.04 0.01 0.07 -0.04 1.41 1.41 2wv9A1 SER 553 H -0.57 0.75 -0.10 -0.55 8.46 8.00 2wv9A1 SER 553 HA -0.41 -0.03 0.32 -0.75 4.49 3.62 2wv9A1 SER 553 HB2 -1.36 -0.01 0.03 -0.04 3.95 2.56 2wv9A1 SER 553 HB3 -0.64 0.05 0.08 -0.04 3.93 3.38 2wv9A1 ASN 554 H -0.23 0.36 -0.24 -0.55 8.53 7.87 2wv9A1 ASN 554 HA -0.03 0.04 0.41 -0.75 4.76 4.43 2wv9A1 ASN 554 HB2 0.10 0.11 0.10 -0.04 2.88 3.16 2wv9A1 ASN 554 HB3 0.12 -0.06 0.04 -0.04 2.79 2.84 2wv9A1 ASN 554 HD21 0.28 -0.03 0.00 -0.04 7.03 7.25 2wv9A1 ASN 554 HD22 0.18 -0.03 0.02 -0.04 7.74 7.87 2wv9A1 GLY 555 H -0.07 0.29 -0.41 -0.55 8.43 7.69 2wv9A1 GLY 555 HA2 -0.02 0.03 0.24 -0.51 4.01 3.75 2wv9A1 GLY 555 HA3 0.00 0.08 0.71 -0.51 4.01 4.30 2wv9A1 ILE 556 H 0.01 0.33 0.10 -0.55 8.25 8.14 2wv9A1 ILE 556 HA 0.09 -0.00 0.59 -0.75 4.18 4.11 2wv9A1 ILE 556 HB 0.05 0.04 -0.01 -0.04 1.89 1.92 2wv9A1 ILE 556 HG12 0.16 -0.06 -0.04 -0.04 1.49 1.51 2wv9A1 ILE 556 HG13 0.09 -0.02 -0.02 -0.04 1.21 1.21 2wv9A1 ILE 556 HG23 0.27 0.03 0.01 -0.04 0.93 1.20 2wv9A1 ILE 556 HD13 0.15 -0.02 0.04 -0.04 0.88 1.00 2wv9A1 GLN 557 H 0.10 0.03 0.18 -0.55 8.47 8.24 2wv9A1 GLN 557 HA 0.11 0.17 0.57 -0.75 4.36 4.46 2wv9A1 GLN 557 HB2 0.09 -0.16 0.09 -0.04 2.15 2.13 2wv9A1 GLN 557 HB3 0.10 -0.04 0.16 -0.04 2.02 2.21 2wv9A1 GLN 557 HG2 0.07 0.04 0.12 -0.04 2.40 2.59 2wv9A1 GLN 557 HG3 0.06 -0.01 0.06 -0.04 2.39 2.47 2wv9A1 GLN 557 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.93 2wv9A1 GLN 557 HE22 0.04 -0.01 0.02 -0.04 7.69 7.70 2wv9A1 TYR 558 H 0.24 0.12 0.15 -0.55 8.29 8.25 2wv9A1 TYR 558 HA 0.17 0.18 0.34 -0.75 4.56 4.49 2wv9A1 TYR 558 HB2 0.09 0.01 0.12 -0.04 3.06 3.24 2wv9A1 TYR 558 HB3 0.08 -0.04 0.06 -0.04 2.98 3.04 2wv9A1 TYR 558 HD2 0.12 0.02 -0.10 -0.04 7.15 7.14 2wv9A1 TYR 558 HE2 0.13 -0.01 -0.17 -0.04 6.85 6.77 2wv9A1 ASN 559 H 0.14 -0.05 -0.16 -0.55 8.53 7.91 2wv9A1 ASN 559 HA -0.03 0.19 0.58 -0.75 4.76 4.75 2wv9A1 ASN 559 HB2 0.06 -0.07 0.05 -0.04 2.88 2.88 2wv9A1 ASN 559 HB3 0.02 0.03 -0.01 -0.04 2.79 2.79 2wv9A1 ASN 559 HD21 0.07 0.02 -0.00 -0.04 7.03 7.08 2wv9A1 ASN 559 HD22 0.05 -0.01 0.00 -0.04 7.74 7.74 2wv9A1 ASP 560 H 0.07 -0.03 -0.26 -0.55 8.40 7.64 2wv9A1 ASP 560 HA 0.02 0.01 0.45 -0.75 4.63 4.35 2wv9A1 ASP 560 HB2 0.08 -0.03 0.11 -0.04 2.71 2.83 2wv9A1 ASP 560 HB3 0.14 0.08 0.17 -0.04 2.70 3.04 2wv9A1 ARG 561 H -0.05 0.17 0.24 -0.55 8.46 8.27 2wv9A1 ARG 561 HA -0.20 0.20 0.68 -0.75 4.34 4.26 2wv9A1 ARG 561 HB2 -0.17 -0.02 0.10 -0.04 1.90 1.77 2wv9A1 ARG 561 HB3 -0.35 0.04 0.18 -0.04 1.80 1.63 2wv9A1 ARG 561 HG2 -0.23 0.16 -0.10 -0.04 1.67 1.46 2wv9A1 ARG 561 HG3 -0.30 0.05 -0.00 -0.04 1.67 1.38 2wv9A1 ARG 561 HD2 -0.92 0.19 0.05 -0.04 3.22 2.50 2wv9A1 ARG 561 HD3 -0.63 -0.11 -0.09 -0.04 3.22 2.35 2wv9A1 LYS 562 H 0.03 0.05 -0.16 -0.55 8.42 7.79 2wv9A1 LYS 562 HA 0.03 0.12 0.25 -0.75 4.32 3.97 2wv9A1 LYS 562 HB2 0.04 -0.02 0.10 -0.04 1.87 1.94 2wv9A1 LYS 562 HB3 0.10 0.01 0.01 -0.04 1.79 1.88 2wv9A1 LYS 562 HG2 0.05 0.00 -0.07 -0.04 1.46 1.41 2wv9A1 LYS 562 HG3 0.02 0.03 0.03 -0.04 1.46 1.50 2wv9A1 LYS 562 HD2 0.02 0.02 -0.02 -0.04 1.69 1.67 2wv9A1 LYS 562 HD3 0.03 -0.02 -0.00 -0.04 1.68 1.64 2wv9A1 LYS 562 HE2 0.08 -0.02 -0.06 -0.04 2.99 2.94 2wv9A1 LYS 562 HE3 0.05 0.03 -0.07 -0.04 2.99 2.96 2wv9A1 TRP 563 H 0.26 0.15 -0.30 -0.55 7.97 7.53 2wv9A1 TRP 563 HA -0.04 0.05 0.28 -0.75 4.62 4.15 2wv9A1 TRP 563 HB2 -0.05 -0.06 0.08 -0.04 3.23 3.16 2wv9A1 TRP 563 HB3 0.08 0.02 0.05 -0.04 3.23 3.33 2wv9A1 TRP 563 HD1 0.11 0.03 -0.07 -0.04 7.22 7.25 2wv9A1 TRP 563 HE1 0.17 0.13 -0.04 -0.04 10.20 10.41 2wv9A1 TRP 563 HE3 0.16 -0.29 -0.15 -0.04 7.59 7.27 2wv9A1 TRP 563 HZ2 0.55 0.04 -0.08 -0.04 7.44 7.91 2wv9A1 TRP 563 HZ3 0.45 0.03 -0.02 -0.04 7.13 7.55 2wv9A1 TRP 563 HH2 0.61 -0.03 -0.06 -0.04 7.19 7.67 2wv9A1 CYS 564 H -0.80 0.47 -0.45 -0.55 8.50 7.17 2wv9A1 CYS 564 HA -0.66 -0.04 0.43 -0.75 4.58 3.55 2wv9A1 CYS 564 HB2 -0.91 0.16 0.03 -0.04 2.97 2.21 2wv9A1 CYS 564 HB3 -1.12 -0.03 0.05 -0.04 2.97 1.83 2wv9A1 PHE 565 H -0.06 0.32 -0.20 -0.55 8.34 7.84 2wv9A1 PHE 565 HA -0.07 0.19 0.95 -0.75 4.62 4.94 2wv9A1 PHE 565 HB2 -0.11 -0.00 0.03 -0.04 3.15 3.02 2wv9A1 PHE 565 HB3 -0.08 -0.05 0.10 -0.04 3.06 3.00 2wv9A1 PHE 565 HD2 -0.16 0.00 -0.00 -0.04 7.28 7.09 2wv9A1 PHE 565 HE2 -0.19 0.05 0.04 -0.04 7.38 7.24 2wv9A1 PHE 565 HZ -0.18 -0.01 -0.08 -0.04 7.32 7.01 2wv9A1 ASP 566 H 0.03 0.04 0.05 -0.55 8.40 7.97 2wv9A1 ASP 566 HA 0.03 0.18 0.80 -0.75 4.63 4.89 2wv9A1 ASP 566 HB2 0.02 -0.04 0.12 -0.04 2.71 2.76 2wv9A1 ASP 566 HB3 0.04 -0.04 -0.02 -0.04 2.70 2.64 2wv9A1 GLY 567 H -0.01 0.60 -0.28 -0.55 8.43 8.19 2wv9A1 GLY 567 HA2 -0.10 -0.11 0.25 -0.51 4.01 3.55 2wv9A1 GLY 567 HA3 -0.05 0.31 -0.32 -0.51 4.01 3.44 2wv9A1 PRO 568 HA -0.01 0.05 0.48 -0.51 4.44 4.44 2wv9A1 PRO 568 HB2 -0.00 -0.12 0.00 -0.04 2.28 2.12 2wv9A1 PRO 568 HB3 -0.00 -0.03 0.12 -0.04 2.02 2.07 2wv9A1 PRO 568 HG2 -0.02 0.04 0.12 -0.04 2.03 2.12 2wv9A1 PRO 568 HG3 -0.04 0.02 0.11 -0.04 2.03 2.07 2wv9A1 PRO 568 HD2 -0.05 0.28 0.21 -0.04 3.68 4.07 2wv9A1 PRO 568 HD3 -0.13 0.07 0.25 -0.04 3.65 3.81 2wv9A1 ARG 569 H -0.00 0.09 0.15 -0.55 8.46 8.15 2wv9A1 ARG 569 HA 0.00 0.23 0.28 -0.75 4.34 4.10 2wv9A1 ARG 569 HB2 0.00 0.01 0.07 -0.04 1.90 1.95 2wv9A1 ARG 569 HB3 0.00 0.05 0.11 -0.04 1.80 1.92 2wv9A1 ARG 569 HG2 0.00 -0.06 0.11 -0.04 1.67 1.68 2wv9A1 ARG 569 HG3 0.00 0.00 -0.10 -0.04 1.67 1.53 2wv9A1 ARG 569 HD2 0.00 0.02 0.02 -0.04 3.22 3.23 2wv9A1 ARG 569 HD3 0.00 -0.03 -0.00 -0.04 3.22 3.16 2wv9A1 SER 570 H 0.00 0.00 -0.33 -0.55 8.46 7.59 2wv9A1 SER 570 HA 0.00 0.14 0.65 -0.75 4.49 4.53 2wv9A1 SER 570 HB2 0.01 0.00 0.05 -0.04 3.95 3.97 2wv9A1 SER 570 HB3 0.01 -0.04 0.03 -0.04 3.93 3.89 2wv9A1 ASN 571 H 0.00 0.40 -0.41 -0.55 8.53 7.97 2wv9A1 ASN 571 HA 0.01 0.01 0.43 -0.75 4.76 4.46 2wv9A1 ASN 571 HB2 0.01 0.26 -0.04 -0.04 2.88 3.07 2wv9A1 ASN 571 HB3 0.05 0.03 -0.00 -0.04 2.79 2.82 2wv9A1 ASN 571 HD21 0.08 -0.09 -0.02 -0.04 7.03 6.96 2wv9A1 ASN 571 HD22 0.05 0.14 -0.37 -0.04 7.74 7.53 2wv9A1 ILE 572 H -0.01 0.04 -0.67 -0.55 8.25 7.06 2wv9A1 ILE 572 HA -0.02 0.26 0.48 -0.75 4.18 4.14 2wv9A1 ILE 572 HB -0.00 0.09 0.02 -0.04 1.89 1.95 2wv9A1 ILE 572 HG12 -0.01 0.02 -0.09 -0.04 1.49 1.37 2wv9A1 ILE 572 HG13 -0.00 0.01 0.15 -0.04 1.21 1.33 2wv9A1 ILE 572 HG23 -0.02 -0.03 -0.07 -0.04 0.93 0.77 2wv9A1 ILE 572 HD13 0.01 -0.03 0.01 -0.04 0.88 0.83 2wv9A1 ILE 573 H -0.03 0.15 0.23 -0.55 8.25 8.05 2wv9A1 ILE 573 HA -0.21 0.06 0.54 -0.75 4.18 3.82 2wv9A1 ILE 573 HB 0.00 0.02 0.11 -0.04 1.89 1.98 2wv9A1 ILE 573 HG12 -0.16 -0.09 -0.00 -0.04 1.49 1.19 2wv9A1 ILE 573 HG13 -0.04 0.17 0.07 -0.04 1.21 1.37 2wv9A1 ILE 573 HG23 -0.04 -0.02 -0.07 -0.04 0.93 0.76 2wv9A1 ILE 573 HD13 0.18 0.00 -0.00 -0.04 0.88 1.02 2wv9A1 LEU 574 H -0.15 0.15 0.18 -0.55 8.37 8.01 2wv9A1 LEU 574 HA -0.01 0.32 0.85 -0.75 4.35 4.75 2wv9A1 LEU 574 HB2 -0.05 0.10 -0.15 -0.04 1.64 1.50 2wv9A1 LEU 574 HB3 -0.04 -0.08 0.02 -0.04 1.64 1.50 2wv9A1 LEU 574 HG 0.00 -0.09 -0.13 -0.04 1.64 1.38 2wv9A1 LEU 574 HD13 -0.01 0.05 -0.25 -0.04 0.93 0.68 2wv9A1 LEU 574 HD23 -0.00 -0.02 -0.07 -0.04 0.89 0.76 2wv9A1 GLU 575 H 0.02 0.85 0.21 -0.55 8.60 9.14 2wv9A1 GLU 575 HA 0.05 0.03 0.53 -0.75 4.29 4.14 2wv9A1 GLU 575 HB2 0.07 0.10 -0.10 -0.04 2.09 2.13 2wv9A1 GLU 575 HB3 0.06 0.08 0.01 -0.04 1.99 2.09 2wv9A1 GLU 575 HG2 0.08 -0.03 -0.17 -0.04 2.34 2.18 2wv9A1 GLU 575 HG3 0.11 -0.02 0.04 -0.04 2.34 2.42 2wv9A1 ASP 576 H 0.04 0.16 0.12 -0.55 8.40 8.18 2wv9A1 ASP 576 HA 0.02 0.02 0.33 -0.75 4.63 4.24 2wv9A1 ASP 576 HB2 0.02 0.20 0.15 -0.04 2.71 3.04 2wv9A1 ASP 576 HB3 0.01 0.01 0.20 -0.04 2.70 2.88 2wv9A1 ASN 577 H 0.02 0.03 -0.23 -0.55 8.53 7.80 2wv9A1 ASN 577 HA 0.01 0.00 0.20 -0.75 4.76 4.22 2wv9A1 ASN 577 HB2 0.01 0.22 0.09 -0.04 2.88 3.16 2wv9A1 ASN 577 HB3 0.01 0.00 0.20 -0.04 2.79 2.96 2wv9A1 ASN 577 HD21 0.01 -0.03 -0.04 -0.04 7.03 6.93 2wv9A1 ASN 577 HD22 0.01 0.04 -0.05 -0.04 7.74 7.70 2wv9A1 ASN 578 H 0.02 0.36 -0.50 -0.55 8.53 7.86 2wv9A1 ASN 578 HA 0.01 0.14 0.85 -0.75 4.76 5.00 2wv9A1 ASN 578 HB2 0.02 0.13 0.07 -0.04 2.88 3.06 2wv9A1 ASN 578 HB3 0.01 -0.04 0.11 -0.04 2.79 2.83 2wv9A1 ASN 578 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.95 2wv9A1 ASN 578 HD22 0.01 -0.01 0.01 -0.04 7.74 7.71 2wv9A1 GLU 579 H 0.01 0.05 0.13 -0.55 8.60 8.24 2wv9A1 GLU 579 HA 0.01 0.26 0.53 -0.75 4.29 4.33 2wv9A1 GLU 579 HB2 0.01 -0.06 0.07 -0.04 2.09 2.08 2wv9A1 GLU 579 HB3 0.02 -0.00 0.10 -0.04 1.99 2.07 2wv9A1 GLU 579 HG2 0.01 0.11 0.02 -0.04 2.34 2.44 2wv9A1 GLU 579 HG3 0.01 -0.06 0.02 -0.04 2.34 2.26 2wv9A1 VAL 580 H 0.03 0.30 0.15 -0.55 8.24 8.16 2wv9A1 VAL 580 HA 0.04 0.02 0.67 -0.75 4.13 4.11 2wv9A1 VAL 580 HB 0.05 0.09 -0.20 -0.04 2.12 2.01 2wv9A1 VAL 580 HG13 0.04 0.06 -0.14 -0.04 0.97 0.89 2wv9A1 VAL 580 HG23 0.07 -0.01 -0.13 -0.04 0.95 0.83 2wv9A1 GLU 581 H 0.04 0.12 0.03 -0.55 8.60 8.24 2wv9A1 GLU 581 HA 0.14 0.30 0.76 -0.75 4.29 4.73 2wv9A1 GLU 581 HB2 0.04 -0.04 -0.13 -0.04 2.09 1.92 2wv9A1 GLU 581 HB3 0.02 -0.01 0.05 -0.04 1.99 2.02 2wv9A1 GLU 581 HG2 -0.02 -0.03 0.01 -0.04 2.34 2.26 2wv9A1 GLU 581 HG3 0.03 0.04 0.06 -0.04 2.34 2.43 2wv9A1 LYS 593 HA -0.03 -0.06 0.25 -0.75 4.32 3.72 2wv9A1 LYS 593 HB2 -0.03 -0.08 0.24 -0.04 1.87 1.96 2wv9A1 LYS 593 HB3 -0.16 0.16 0.12 -0.04 1.79 1.87 2wv9A1 LYS 593 HG2 0.00 -0.05 0.28 -0.04 1.46 1.65 2wv9A1 LYS 593 HG3 -0.02 -0.13 0.37 -0.04 1.46 1.64 2wv9A1 LYS 593 HD2 -0.19 0.01 -11.70 -0.04 1.69 -10.23 2wv9A1 LYS 593 HD3 -0.01 0.04 1.31 -0.04 1.68 2.98 2wv9A1 LYS 593 HE2 0.08 0.19 0.42 -0.04 2.99 3.63 2wv9A1 LYS 593 HE3 0.30 -0.05 -0.60 -0.04 2.99 2.59 2wv9A1 PRO 594 HA 0.03 0.24 0.59 -0.51 4.44 4.79 2wv9A1 PRO 594 HB2 0.58 -0.06 0.07 -0.04 2.28 2.83 2wv9A1 PRO 594 HB3 0.27 -0.04 0.11 -0.04 2.02 2.32 2wv9A1 PRO 594 HG2 0.22 0.01 -0.05 -0.04 2.03 2.16 2wv9A1 PRO 594 HG3 0.25 -0.09 0.07 -0.04 2.03 2.21 2wv9A1 PRO 594 HD2 0.04 0.61 0.17 -0.04 3.68 4.46 2wv9A1 PRO 594 HD3 0.02 -0.03 0.19 -0.04 3.65 3.80 2wv9A1 ARG 595 H 0.28 0.22 0.21 -0.55 8.46 8.61 2wv9A1 ARG 595 HA -0.27 0.06 0.57 -0.75 4.34 3.95 2wv9A1 ARG 595 HB2 -1.35 -0.06 0.11 -0.04 1.90 0.56 2wv9A1 ARG 595 HB3 -1.62 -0.02 0.01 -0.04 1.80 0.13 2wv9A1 ARG 595 HG2 -0.29 0.04 -0.04 -0.04 1.67 1.34 2wv9A1 ARG 595 HG3 -0.10 0.11 0.08 -0.04 1.67 1.72 2wv9A1 ARG 595 HD2 -0.44 -0.03 0.00 -0.04 3.22 2.71 2wv9A1 ARG 595 HD3 -0.51 0.00 -0.02 -0.04 3.22 2.66 2wv9A1 TRP 596 H 0.36 0.11 -0.04 -0.55 7.97 7.85 2wv9A1 TRP 596 HA 0.22 0.22 0.85 -0.75 4.62 5.16 2wv9A1 TRP 596 HB2 0.07 -0.06 -0.10 -0.04 3.23 3.10 2wv9A1 TRP 596 HB3 0.28 0.02 -0.07 -0.04 3.23 3.42 2wv9A1 TRP 596 HD1 0.09 0.02 -0.13 -0.04 7.22 7.15 2wv9A1 TRP 596 HE1 -0.04 0.02 -0.06 -0.04 10.20 10.08 2wv9A1 TRP 596 HE3 -0.34 -0.02 -0.07 -0.04 7.59 7.11 2wv9A1 TRP 596 HZ2 -0.10 0.02 -0.03 -0.04 7.44 7.28 2wv9A1 TRP 596 HZ3 -0.86 -0.02 -0.10 -0.04 7.13 6.11 2wv9A1 TRP 596 HH2 -0.20 0.02 -0.04 -0.04 7.19 6.92 2wv9A1 LEU 597 H 0.50 0.28 0.16 -0.55 8.37 8.77 2wv9A1 LEU 597 HA 0.38 0.22 0.90 -0.75 4.35 5.10 2wv9A1 LEU 597 HB2 0.23 -0.04 0.14 -0.04 1.64 1.92 2wv9A1 LEU 597 HB3 0.32 -0.06 -0.03 -0.04 1.64 1.83 2wv9A1 LEU 597 HG 0.18 0.03 -0.21 -0.04 1.64 1.59 2wv9A1 LEU 597 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 2wv9A1 LEU 597 HD23 0.07 0.08 -0.11 -0.04 0.89 0.90 2wv9A1 ASP 598 H 0.29 0.33 0.08 -0.55 8.40 8.55 2wv9A1 ASP 598 HA -0.06 0.10 0.81 -0.75 4.63 4.73 2wv9A1 ASP 598 HB2 0.40 0.11 -0.18 -0.04 2.71 3.00 2wv9A1 ASP 598 HB3 0.10 0.04 0.13 -0.04 2.70 2.94 2wv9A1 ALA 599 H -0.24 0.70 0.20 -0.55 8.40 8.52 2wv9A1 ALA 599 HA -1.87 0.13 0.36 -0.75 4.34 2.21 2wv9A1 ALA 599 HB3 -0.25 0.03 0.15 -0.04 1.41 1.29 2wv9A1 ARG 600 H -0.23 0.08 -0.32 -0.55 8.46 7.44 2wv9A1 ARG 600 HA -0.16 0.01 0.40 -0.75 4.34 3.84 2wv9A1 ARG 600 HB2 -0.09 0.01 0.02 -0.04 1.90 1.80 2wv9A1 ARG 600 HB3 -0.09 0.08 0.05 -0.04 1.80 1.81 2wv9A1 ARG 600 HG2 -0.09 0.01 0.04 -0.04 1.67 1.59 2wv9A1 ARG 600 HG3 -0.13 -0.07 -0.01 -0.04 1.67 1.42 2wv9A1 ARG 600 HD2 -0.06 0.06 0.03 -0.04 3.22 3.20 2wv9A1 ARG 600 HD3 -0.08 -0.01 0.04 -0.04 3.22 3.13 2wv9A1 VAL 601 H -0.27 0.42 -0.26 -0.55 8.24 7.58 2wv9A1 VAL 601 HA -0.06 0.18 0.89 -0.75 4.13 4.39 2wv9A1 VAL 601 HB -0.17 0.08 0.14 -0.04 2.12 2.13 2wv9A1 VAL 601 HG13 0.00 -0.01 -0.03 -0.04 0.97 0.89 2wv9A1 VAL 601 HG23 -0.55 0.08 -0.02 -0.04 0.95 0.42 2wv9A1 TYR 602 H -0.40 0.19 -0.07 -0.55 8.29 7.47 2wv9A1 TYR 602 HA -0.01 0.21 0.88 -0.75 4.56 4.88 2wv9A1 TYR 602 HB2 -0.01 0.06 0.14 -0.04 3.06 3.21 2wv9A1 TYR 602 HB3 -0.13 0.07 -0.12 -0.04 2.98 2.76 2wv9A1 TYR 602 HD2 -0.06 0.05 -0.23 -0.04 7.15 6.87 2wv9A1 TYR 602 HE2 0.00 -0.08 -0.10 -0.04 6.85 6.64 2wv9A1 SER 603 H -0.19 0.30 0.18 -0.55 8.46 8.21 2wv9A1 SER 603 HA 0.12 0.12 0.44 -0.75 4.49 4.41 2wv9A1 SER 603 HB2 -0.10 -0.06 0.15 -0.04 3.95 3.91 2wv9A1 SER 603 HB3 -0.02 -0.06 0.03 -0.04 3.93 3.83 2wv9A1 ASP 604 H 0.01 0.07 -0.03 -0.55 8.40 7.90 2wv9A1 ASP 604 HA 0.07 0.30 0.98 -0.75 4.63 5.22 2wv9A1 ASP 604 HB2 0.05 -0.03 0.14 -0.04 2.71 2.83 2wv9A1 ASP 604 HB3 0.02 0.02 -0.00 -0.04 2.70 2.70 2wv9A1 HIS 605 H 0.16 0.15 0.15 -0.55 8.41 8.33 2wv9A1 HIS 605 HA 0.07 0.17 0.26 -0.75 4.63 4.38 2wv9A1 HIS 605 HB2 0.04 0.05 0.12 -0.04 3.26 3.43 2wv9A1 HIS 605 HB3 0.04 -0.06 0.14 -0.04 3.20 3.27 2wv9A1 HIS 605 HD2 0.04 -0.03 -0.11 -0.04 6.97 6.82 2wv9A1 HIS 605 HE1 0.04 0.05 -0.02 -0.04 7.75 7.78 2wv9A1 GLN 606 H 0.09 0.01 -0.09 -0.55 8.47 7.93 2wv9A1 GLN 606 HA -0.03 0.16 0.44 -0.75 4.36 4.18 2wv9A1 GLN 606 HB2 0.07 0.01 0.10 -0.04 2.15 2.29 2wv9A1 GLN 606 HB3 0.04 -0.10 0.10 -0.04 2.02 2.01 2wv9A1 GLN 606 HG2 0.07 0.06 -0.20 -0.04 2.40 2.28 2wv9A1 GLN 606 HG3 0.07 0.05 0.02 -0.04 2.39 2.49 2wv9A1 GLN 606 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.91 2wv9A1 GLN 606 HE22 0.04 0.06 -0.01 -0.04 7.69 7.74 2wv9A1 SER 607 H 0.04 0.01 -0.12 -0.55 8.46 7.84 2wv9A1 SER 607 HA 0.10 0.11 0.44 -0.75 4.49 4.38 2wv9A1 SER 607 HB2 0.02 0.14 0.14 -0.04 3.95 4.21 2wv9A1 SER 607 HB3 -0.01 -0.05 0.14 -0.04 3.93 3.96 2wv9A1 LEU 608 H 0.07 0.34 -0.23 -0.55 8.37 8.00 2wv9A1 LEU 608 HA 0.19 0.36 0.60 -0.75 4.35 4.74 2wv9A1 LEU 608 HB2 0.12 -0.01 -0.01 -0.04 1.64 1.69 2wv9A1 LEU 608 HB3 0.07 -0.00 0.00 -0.04 1.64 1.67 2wv9A1 LEU 608 HG 0.11 -0.04 -0.15 -0.04 1.64 1.53 2wv9A1 LEU 608 HD13 0.19 -0.02 0.09 -0.04 0.93 1.16 2wv9A1 LEU 608 HD23 0.12 0.03 -0.06 -0.04 0.89 0.93 2wv9A1 LYS 609 H 0.02 0.30 -0.37 -0.55 8.42 7.81 2wv9A1 LYS 609 HA 0.03 0.05 0.51 -0.75 4.32 4.15 2wv9A1 LYS 609 HB2 -0.19 0.20 0.23 -0.04 1.87 2.07 2wv9A1 LYS 609 HB3 0.04 0.04 0.06 -0.04 1.79 1.88 2wv9A1 LYS 609 HG2 -0.02 -0.01 0.03 -0.04 1.46 1.42 2wv9A1 LYS 609 HG3 -0.05 -0.02 0.06 -0.04 1.46 1.41 2wv9A1 LYS 609 HD2 -0.42 0.01 0.01 -0.04 1.69 1.25 2wv9A1 LYS 609 HD3 -0.02 -0.02 0.01 -0.04 1.68 1.60 2wv9A1 LYS 609 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 2wv9A1 LYS 609 HE3 0.06 -0.00 -0.00 -0.04 2.99 3.01 2wv9A1 TRP 610 H 0.32 0.29 -0.12 -0.55 7.97 7.91 2wv9A1 TRP 610 HA 0.06 0.06 0.57 -0.75 4.62 4.55 2wv9A1 TRP 610 HB2 0.04 -0.04 0.16 -0.04 3.23 3.35 2wv9A1 TRP 610 HB3 0.08 0.13 0.15 -0.04 3.23 3.55 2wv9A1 TRP 610 HD1 0.07 0.04 -0.12 -0.04 7.22 7.17 2wv9A1 TRP 610 HE1 0.04 0.12 -0.02 -0.04 10.20 10.31 2wv9A1 TRP 610 HE3 0.03 -0.04 0.01 -0.04 7.59 7.54 2wv9A1 TRP 610 HZ2 0.04 0.09 -0.00 -0.04 7.44 7.53 2wv9A1 TRP 610 HZ3 0.02 -0.04 0.00 -0.04 7.13 7.07 2wv9A1 TRP 610 HH2 0.03 -0.01 0.00 -0.04 7.19 7.16 2wv9A1 PHE 611 H 0.42 0.37 -0.15 -0.55 8.34 8.43 2wv9A1 PHE 611 HA 0.29 0.07 0.48 -0.75 4.62 4.70 2wv9A1 PHE 611 HB2 0.19 0.05 0.20 -0.04 3.15 3.55 2wv9A1 PHE 611 HB3 0.14 0.13 0.19 -0.04 3.06 3.48 2wv9A1 PHE 611 HD2 0.15 0.03 -0.03 -0.04 7.28 7.38 2wv9A1 PHE 611 HE2 0.25 0.01 -0.03 -0.04 7.38 7.57 2wv9A1 PHE 611 HZ 0.20 0.00 -0.01 -0.04 7.32 7.48 2wv9A1 LYS 612 H 0.17 0.37 -0.21 -0.55 8.42 8.19 2wv9A1 LYS 612 HA -0.10 0.10 0.60 -0.75 4.32 4.16 2wv9A1 LYS 612 HB2 0.02 -0.03 0.08 -0.04 1.87 1.90 2wv9A1 LYS 612 HB3 0.09 0.02 0.06 -0.04 1.79 1.92 2wv9A1 LYS 612 HG2 0.07 0.10 0.21 -0.04 1.46 1.80 2wv9A1 LYS 612 HG3 0.01 0.00 -0.08 -0.04 1.46 1.35 2wv9A1 LYS 612 HD2 0.08 0.02 -0.04 -0.04 1.69 1.70 2wv9A1 LYS 612 HD3 0.04 -0.07 -0.03 -0.04 1.68 1.58 2wv9A1 LYS 612 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2wv9A1 LYS 612 HE3 0.04 -0.04 -0.03 -0.04 2.99 2.92 2wv9A1 ASP 613 H -0.04 0.27 -0.34 -0.55 8.40 7.74 2wv9A1 ASP 613 HA -0.12 0.07 0.73 -0.75 4.63 4.56 2wv9A1 ASP 613 HB2 -0.34 0.09 0.22 -0.04 2.71 2.63 2wv9A1 ASP 613 HB3 -0.33 0.02 0.00 -0.04 2.70 2.35 2wv9A1 PHE 614 H -0.01 0.53 -0.06 -0.55 8.34 8.25 2wv9A1 PHE 614 HA -0.15 -0.01 0.34 -0.75 4.62 4.04 2wv9A1 PHE 614 HB2 0.03 0.03 0.11 -0.04 3.15 3.27 2wv9A1 PHE 614 HB3 -0.10 0.08 0.19 -0.04 3.06 3.19 2wv9A1 PHE 614 HD2 -0.18 0.01 -0.04 -0.04 7.28 7.03 2wv9A1 PHE 614 HE2 0.11 -0.04 -0.06 -0.04 7.38 7.35 2wv9A1 PHE 614 HZ 0.24 -0.01 -0.07 -0.04 7.32 7.44 2wv9A1 ALA 615 H -0.23 0.27 -0.35 -0.55 8.40 7.54 2wv9A1 ALA 615 HA -0.58 0.02 0.42 -0.75 4.34 3.45 2wv9A1 ALA 615 HB3 -0.35 0.01 0.07 -0.04 1.41 1.09 2wv9A1 ALA 616 H -0.14 0.29 -0.29 -0.55 8.40 7.71 2wv9A1 ALA 616 HA -0.09 0.01 0.37 -0.75 4.34 3.87 2wv9A1 ALA 616 HB3 -0.08 -0.00 0.13 -0.04 1.41 1.42 2wv9A1 GLY 617 H -0.16 0.57 -0.15 -0.55 8.43 8.15 2wv9A1 GLY 617 HA2 -0.14 -0.02 0.34 -0.51 4.01 3.68 2wv9A1 GLY 617 HA3 -0.10 -0.01 0.37 -0.51 4.01 3.76 2wv9A1 LYS 618 H -0.10 0.11 0.02 -0.55 8.42 7.90 2wv9A1 LYS 618 HA -0.04 0.07 0.26 -0.75 4.32 3.86 2wv9A1 LYS 618 HB2 -0.08 0.24 -0.39 -0.04 1.87 1.61 2wv9A1 LYS 618 HB3 0.04 0.03 -0.05 -0.04 1.79 1.77 2wv9A1 LYS 618 HG2 0.07 -0.05 0.02 -0.04 1.46 1.46 2wv9A1 LYS 618 HG3 -0.07 -0.01 0.04 -0.04 1.46 1.39 2wv9A1 LYS 618 HD2 -0.20 -0.02 -0.08 -0.04 1.69 1.35 2wv9A1 LYS 618 HD3 0.20 0.01 -0.04 -0.04 1.68 1.81 2wv9A1 LYS 618 HE2 0.19 -0.02 -0.01 -0.04 2.99 3.11 2wv9A1 LYS 618 HE3 0.01 -0.06 0.00 -0.04 2.99 2.90