============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 96 rings ring int. center anis. iso. PHE 7 1.000 -9.844 -7.437 49.800 -99.200 -91.000 PHE 18 1.000 3.059 -7.244 51.597 -99.200 -91.000 PHE 32 1.000 6.084 10.743 48.676 -99.200 -91.000 TYR 40 0.840 27.120 11.651 36.142 -99.200 -91.000 PHE 50 1.000 23.595 18.317 37.757 -99.200 -91.000 PHE 53 1.000 25.660 21.599 33.103 -99.200 -91.000 TYR 60 0.840 24.293 28.395 23.914 -99.200 -91.000 HIS 64 0.900 22.350 30.240 21.061 -99.200 -91.000 PHE 65 1.000 22.370 24.261 18.642 -99.200 -91.000 TYR 72 0.840 2.195 15.998 5.993 -99.200 -91.000 TYR 76 0.840 13.147 20.607 9.093 -99.200 -91.000 PHE 84 1.000 18.116 20.997 23.141 -99.200 -91.000 PHE 85 1.000 13.219 25.616 27.932 -99.200 -91.000 HIS 89 0.900 11.298 17.640 34.798 -99.200 -91.000 PHE 93 1.000 13.588 16.297 46.393 -99.200 -91.000 TRP 100 1.040 -4.451 5.738 44.794 -99.200 -91.000 TRP6 100 1.020 -4.612 3.872 46.236 -99.200 -91.000 PHE 127 1.000 -5.863 -8.739 17.034 -99.200 -91.000 PHE 135 1.000 3.169 -17.341 22.648 -99.200 -91.000 TYR 155 0.840 9.091 -16.724 50.019 -99.200 -91.000 PHE 156 1.000 7.987 -7.771 48.520 -99.200 -91.000 PHE 186 1.000 -7.561 -18.731 40.453 -99.200 -91.000 TYR 190 0.840 0.234 -15.999 47.831 -99.200 -91.000 HIS 193 0.900 2.709 -25.535 44.519 -99.200 -91.000 TYR 199 0.840 1.570 -8.434 38.135 -99.200 -91.000 TYR 200 0.840 5.873 -3.677 46.759 -99.200 -91.000 TYR 203 0.840 3.996 4.672 42.616 -99.200 -91.000 PHE 220 1.000 11.645 27.952 32.007 -99.200 -91.000 PHE 230 1.000 -9.671 3.056 47.086 -99.200 -91.000 TYR 232 0.840 -10.937 7.962 36.801 -99.200 -91.000 PHE 243 1.000 -6.065 14.250 41.404 -99.200 -91.000 TYR 256 0.840 12.114 17.308 51.629 -99.200 -91.000 PHE 264 1.000 15.984 23.944 37.413 -99.200 -91.000 PHE 265 1.000 8.300 23.302 36.254 -99.200 -91.000 PHE 277 1.000 11.933 -15.020 39.834 -99.200 -91.000 TYR 295 0.840 13.471 -9.891 19.830 -99.200 -91.000 TYR 298 0.840 8.030 -14.756 11.723 -99.200 -91.000 TYR 300 0.840 11.573 -5.620 6.669 -99.200 -91.000 PHE 302 1.000 7.695 -8.725 15.285 -99.200 -91.000 HIS 303 0.900 18.036 -8.676 16.192 -99.200 -91.000 HIS 304 0.900 13.434 -3.521 14.690 -99.200 -91.000 TRP 317 1.040 9.989 0.454 4.117 -99.200 -91.000 TRP6 317 1.020 9.487 0.915 6.370 -99.200 -91.000 HIS 328 0.900 1.049 -1.107 24.519 -99.200 -91.000 PHE 331 1.000 -6.615 3.803 26.179 -99.200 -91.000 TRP 332 1.040 -2.059 -5.623 25.628 -99.200 -91.000 TRP6 332 1.020 -2.751 -7.672 26.561 -99.200 -91.000 TRP 335 1.040 -10.493 -7.108 23.138 -99.200 -91.000 TRP6 335 1.020 -9.281 -7.629 21.177 -99.200 -91.000 TYR 349 0.840 2.179 -23.241 23.923 -99.200 -91.000 TRP 352 1.040 0.279 -27.972 33.010 -99.200 -91.000 TRP6 352 1.020 2.391 -26.913 33.152 -99.200 -91.000 TRP 353 1.040 3.284 -22.064 30.653 -99.200 -91.000 TRP6 353 1.020 2.647 -20.420 29.073 -99.200 -91.000 PHE 357 1.000 0.545 -15.512 28.697 -99.200 -91.000 TYR 366 0.840 0.474 -3.504 49.562 -99.200 -91.000 HIS 376 0.900 1.282 2.062 53.267 -99.200 -91.000 TYR 410 0.840 1.417 0.055 15.085 -99.200 -91.000 HIS 417 0.900 -7.893 3.675 7.513 -99.200 -91.000 HIS 421 0.900 -3.969 -4.172 -2.822 -99.200 -91.000 PHE 435 1.000 -0.989 -10.589 4.364 -99.200 -91.000 TYR 439 0.840 2.770 -6.860 7.616 -99.200 -91.000 TRP 440 1.040 4.683 -10.134 11.907 -99.200 -91.000 TRP6 440 1.020 4.092 -11.805 13.479 -99.200 -91.000 HIS 443 0.900 9.944 -12.338 2.256 -99.200 -91.000 TRP 459 1.040 1.745 1.853 2.719 -99.200 -91.000 TRP6 459 1.020 1.772 2.918 4.829 -99.200 -91.000 HIS 469 0.900 2.166 9.313 -0.270 -99.200 -91.000 PHE 472 1.000 2.809 11.050 6.974 -99.200 -91.000 TYR 485 0.840 -8.858 -4.196 16.543 -99.200 -91.000 TYR 490 0.840 1.516 13.838 13.295 -99.200 -91.000 HIS 492 0.900 5.738 17.854 16.486 -99.200 -91.000 PHE 496 1.000 11.583 0.897 15.265 -99.200 -91.000 TYR 503 0.840 11.547 11.566 6.680 -99.200 -91.000 PHE 514 1.000 15.805 5.047 11.504 -99.200 -91.000 PHE 526 1.000 24.742 16.918 31.660 -99.200 -91.000 TYR 530 0.840 16.199 3.322 38.565 -99.200 -91.000 PHE 546 1.000 30.839 -1.762 36.255 -99.200 -91.000 TRP 551 1.040 33.717 10.882 28.060 -99.200 -91.000 TRP6 551 1.020 32.291 12.761 27.851 -99.200 -91.000 TYR 558 0.840 23.480 9.865 22.680 -99.200 -91.000 TYR 564 0.840 28.950 13.927 19.703 -99.200 -91.000 TRP 575 1.040 31.025 20.506 34.658 -99.200 -91.000 TRP6 575 1.020 29.247 19.108 35.339 -99.200 -91.000 TRP 576 1.040 35.930 25.309 32.297 -99.200 -91.000 TRP6 576 1.020 37.278 26.593 33.743 -99.200 -91.000 PHE 579 1.000 29.307 21.669 38.670 -99.200 -91.000 TYR 583 0.840 30.088 16.593 31.457 -99.200 -91.000 TYR 586 0.840 32.276 14.794 36.974 -99.200 -91.000 TYR 601 0.840 31.985 -5.683 40.026 -99.200 -91.000 TYR 630 0.840 14.847 0.717 27.053 -99.200 -91.000 TRP 632 1.040 20.877 -2.472 21.928 -99.200 -91.000 TRP6 632 1.020 21.730 -0.706 23.225 -99.200 -91.000 HIS 642 0.900 22.747 -11.317 28.925 -99.200 -91.000 HIS 647 0.900 23.706 -17.480 38.064 -99.200 -91.000 PHE 657 1.000 8.083 -24.630 32.777 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1hi0P1 PRO 1 HA -0.01 -0.07 0.13 -0.51 4.44 3.98 1hi0P1 PRO 1 HB2 -0.02 0.03 0.10 -0.04 2.28 2.35 1hi0P1 PRO 1 HB3 -0.01 -0.02 0.08 -0.04 2.02 2.03 1hi0P1 PRO 1 HG2 -0.02 0.01 0.02 -0.04 2.03 1.99 1hi0P1 PRO 1 HG3 -0.02 -0.02 0.03 -0.04 2.03 1.98 1hi0P1 PRO 1 HD2 -0.04 0.01 -0.02 -0.04 3.68 3.59 1hi0P1 PRO 1 HD3 -0.03 -0.02 0.00 -0.04 3.65 3.56 1hi0P1 ARG 2 H -0.02 0.05 0.03 -0.55 8.46 7.97 1hi0P1 ARG 2 HA -0.01 -0.06 0.40 -0.75 4.34 3.91 1hi0P1 ARG 2 HB2 -0.00 -0.08 -0.09 -0.04 1.90 1.69 1hi0P1 ARG 2 HB3 -0.01 0.32 0.37 -0.04 1.80 2.45 1hi0P1 ARG 2 HG2 -0.00 0.01 -0.06 -0.04 1.67 1.58 1hi0P1 ARG 2 HG3 0.00 -0.02 -0.02 -0.04 1.67 1.60 1hi0P1 ARG 2 HD2 -0.01 0.01 -0.05 -0.04 3.22 3.13 1hi0P1 ARG 2 HD3 -0.01 0.01 -0.89 -0.04 3.22 2.28 1hi0P1 ARG 3 H -0.03 0.04 0.14 -0.55 8.46 8.06 1hi0P1 ARG 3 HA -0.06 0.25 0.88 -0.75 4.34 4.66 1hi0P1 ARG 3 HB2 -0.08 0.03 0.02 -0.04 1.90 1.83 1hi0P1 ARG 3 HB3 -0.05 -0.10 0.05 -0.04 1.80 1.66 1hi0P1 ARG 3 HG2 -0.04 -0.09 0.02 -0.04 1.67 1.52 1hi0P1 ARG 3 HG3 -0.05 0.04 -0.31 -0.04 1.67 1.31 1hi0P1 ARG 3 HD2 -0.04 -0.07 -0.04 -0.04 3.22 3.03 1hi0P1 ARG 3 HD3 -0.07 0.19 -0.07 -0.04 3.22 3.23 1hi0P1 ALA 4 H -0.07 0.73 0.35 -0.55 8.40 8.86 1hi0P1 ALA 4 HA -0.01 0.11 0.50 -0.75 4.34 4.18 1hi0P1 ALA 4 HB3 -0.02 -0.02 0.13 -0.04 1.41 1.45 1hi0P1 PRO 5 HA -0.15 0.06 0.57 -0.51 4.44 4.41 1hi0P1 PRO 5 HB2 -0.07 0.02 -0.01 -0.04 2.28 2.17 1hi0P1 PRO 5 HB3 -0.01 0.05 0.12 -0.04 2.02 2.15 1hi0P1 PRO 5 HG2 0.16 -0.16 0.19 -0.04 2.03 2.18 1hi0P1 PRO 5 HG3 0.11 0.06 0.15 -0.04 2.03 2.30 1hi0P1 PRO 5 HD2 0.03 0.08 0.29 -0.04 3.68 4.03 1hi0P1 PRO 5 HD3 0.01 0.24 0.24 -0.04 3.65 4.10 1hi0P1 ALA 6 H -0.32 0.17 0.23 -0.55 8.40 7.93 1hi0P1 ALA 6 HA -0.02 0.36 1.14 -0.75 4.34 5.07 1hi0P1 ALA 6 HB3 0.19 -0.01 -0.03 -0.04 1.41 1.52 1hi0P1 PHE 7 H 0.33 0.68 0.33 -0.55 8.34 9.13 1hi0P1 PHE 7 HA 0.09 0.19 1.01 -0.75 4.62 5.15 1hi0P1 PHE 7 HB2 0.12 -0.01 -0.00 -0.04 3.15 3.22 1hi0P1 PHE 7 HB3 0.09 -0.07 0.10 -0.04 3.06 3.13 1hi0P1 PHE 7 HD2 0.08 0.09 -0.09 -0.04 7.28 7.32 1hi0P1 PHE 7 HE2 0.05 0.04 -0.35 -0.04 7.38 7.07 1hi0P1 PHE 7 HZ 0.03 -0.03 -0.13 -0.04 7.32 7.15 1hi0P1 PRO 8 HA 0.18 0.34 0.72 -0.51 4.44 5.16 1hi0P1 PRO 8 HB2 0.10 -0.05 0.15 -0.04 2.28 2.44 1hi0P1 PRO 8 HB3 0.07 0.10 0.17 -0.04 2.02 2.32 1hi0P1 PRO 8 HG2 0.14 -0.19 0.12 -0.04 2.03 2.05 1hi0P1 PRO 8 HG3 0.09 0.09 0.11 -0.04 2.03 2.28 1hi0P1 PRO 8 HD2 0.24 0.06 0.31 -0.04 3.68 4.24 1hi0P1 PRO 8 HD3 0.10 0.22 0.20 -0.04 3.65 4.12 1hi0P1 LEU 9 H 0.22 0.45 0.29 -0.55 8.37 8.78 1hi0P1 LEU 9 HA 0.32 0.05 0.30 -0.75 4.35 4.26 1hi0P1 LEU 9 HB2 0.38 0.11 0.12 -0.04 1.64 2.21 1hi0P1 LEU 9 HB3 0.19 -0.05 0.12 -0.04 1.64 1.86 1hi0P1 LEU 9 HG 0.09 -0.05 -0.22 -0.04 1.64 1.42 1hi0P1 LEU 9 HD13 0.04 -0.01 -0.08 -0.04 0.93 0.84 1hi0P1 LEU 9 HD23 0.17 0.04 -0.14 -0.04 0.89 0.91 1hi0P1 SER 10 H 0.12 0.02 -0.28 -0.55 8.46 7.77 1hi0P1 SER 10 HA 0.08 0.11 0.38 -0.75 4.49 4.31 1hi0P1 SER 10 HB2 0.06 -0.01 -0.00 -0.04 3.95 3.96 1hi0P1 SER 10 HB3 0.06 0.02 0.06 -0.04 3.93 4.03 1hi0P1 ASP 11 H 0.14 0.32 -0.35 -0.55 8.40 7.97 1hi0P1 ASP 11 HA 0.10 0.02 0.42 -0.75 4.63 4.41 1hi0P1 ASP 11 HB2 0.21 0.03 0.17 -0.04 2.71 3.08 1hi0P1 ASP 11 HB3 0.19 0.01 0.05 -0.04 2.70 2.90 1hi0P1 ILE 12 H 0.05 0.14 0.19 -0.55 8.25 8.08 1hi0P1 ILE 12 HA 0.04 0.13 0.34 -0.75 4.18 3.94 1hi0P1 ILE 12 HB 0.03 0.05 0.13 -0.04 1.89 2.06 1hi0P1 ILE 12 HG12 0.02 0.01 -0.02 -0.04 1.49 1.45 1hi0P1 ILE 12 HG13 0.00 0.01 -0.24 -0.04 1.21 0.94 1hi0P1 ILE 12 HG23 0.01 -0.00 0.04 -0.04 0.93 0.94 1hi0P1 ILE 12 HD13 0.03 0.00 0.04 -0.04 0.88 0.91 1hi0P1 LYS 13 H -0.06 0.03 -0.35 -0.55 8.42 7.48 1hi0P1 LYS 13 HA -0.13 0.08 0.35 -0.75 4.32 3.88 1hi0P1 LYS 13 HB2 -0.55 -0.01 -0.03 -0.04 1.87 1.23 1hi0P1 LYS 13 HB3 -0.48 0.08 -0.05 -0.04 1.79 1.30 1hi0P1 LYS 13 HG2 -0.23 0.01 -0.03 -0.04 1.46 1.18 1hi0P1 LYS 13 HG3 -0.26 -0.06 -0.01 -0.04 1.46 1.08 1hi0P1 LYS 13 HD2 -1.83 0.04 -0.06 -0.04 1.69 -0.21 1hi0P1 LYS 13 HD3 -0.70 0.01 -0.01 -0.04 1.68 0.94 1hi0P1 LYS 13 HE2 -0.07 0.00 -0.02 -0.04 2.99 2.86 1hi0P1 LYS 13 HE3 -0.07 0.01 -0.02 -0.04 2.99 2.87 1hi0P1 ALA 14 H 0.03 0.21 -0.31 -0.55 8.40 7.78 1hi0P1 ALA 14 HA 0.06 0.07 0.44 -0.75 4.34 4.16 1hi0P1 ALA 14 HB3 0.25 0.05 -0.06 -0.04 1.41 1.62 1hi0P1 GLN 15 H 0.10 0.55 -0.07 -0.55 8.47 8.51 1hi0P1 GLN 15 HA 0.21 0.04 0.32 -0.75 4.36 4.17 1hi0P1 GLN 15 HB2 0.07 -0.04 0.08 -0.04 2.15 2.21 1hi0P1 GLN 15 HB3 0.08 -0.05 -0.05 -0.04 2.02 1.96 1hi0P1 GLN 15 HG2 0.09 0.25 -0.10 -0.04 2.40 2.60 1hi0P1 GLN 15 HG3 0.06 -0.08 -0.05 -0.04 2.39 2.27 1hi0P1 GLN 15 HE21 0.03 -0.09 -0.06 -0.04 6.97 6.80 1hi0P1 GLN 15 HE22 0.09 0.47 -0.02 -0.04 7.69 8.19 1hi0P1 MET 16 H 0.03 0.40 -0.49 -0.55 8.47 7.85 1hi0P1 MET 16 HA 0.06 0.05 0.30 -0.75 4.52 4.18 1hi0P1 MET 16 HB2 0.01 0.09 -0.02 -0.04 2.15 2.19 1hi0P1 MET 16 HB3 0.14 -0.07 0.06 -0.04 2.03 2.12 1hi0P1 MET 16 HG2 0.04 -0.07 -0.04 -0.04 2.63 2.51 1hi0P1 MET 16 HG3 0.02 0.22 0.03 -0.04 2.56 2.79 1hi0P1 MET 16 HE3 0.04 0.00 -0.02 -0.04 2.10 2.08 1hi0P1 LEU 17 H -0.13 0.74 -0.58 -0.55 8.37 7.86 1hi0P1 LEU 17 HA -0.16 0.04 0.57 -0.75 4.35 4.04 1hi0P1 LEU 17 HB2 -1.25 0.11 -0.01 -0.04 1.64 0.45 1hi0P1 LEU 17 HB3 -0.70 -0.12 0.06 -0.04 1.64 0.84 1hi0P1 LEU 17 HG -0.23 0.20 0.02 -0.04 1.64 1.59 1hi0P1 LEU 17 HD13 -0.12 -0.02 -0.09 -0.04 0.93 0.65 1hi0P1 LEU 17 HD23 -0.35 -0.01 -0.15 -0.04 0.89 0.34 1hi0P1 PHE 18 H 0.03 0.53 -0.23 -0.55 8.34 8.11 1hi0P1 PHE 18 HA 0.10 0.18 1.06 -0.75 4.62 5.20 1hi0P1 PHE 18 HB2 -0.03 0.03 0.03 -0.04 3.15 3.14 1hi0P1 PHE 18 HB3 -0.05 -0.08 -0.19 -0.04 3.06 2.69 1hi0P1 PHE 18 HD2 -0.14 0.05 -0.08 -0.04 7.28 7.06 1hi0P1 PHE 18 HE2 -0.29 -0.03 -0.17 -0.04 7.38 6.84 1hi0P1 PHE 18 HZ -1.61 -0.02 -0.13 -0.04 7.32 5.52 1hi0P1 ALA 19 H 0.16 0.64 0.14 -0.55 8.40 8.80 1hi0P1 ALA 19 HA 0.09 0.08 0.32 -0.75 4.34 4.08 1hi0P1 ALA 19 HB3 0.24 -0.02 -0.07 -0.04 1.41 1.51 1hi0P1 ASN 20 H 0.09 0.13 0.08 -0.55 8.53 8.28 1hi0P1 ASN 20 HA 0.06 0.16 0.51 -0.75 4.76 4.74 1hi0P1 ASN 20 HB2 0.05 0.05 0.14 -0.04 2.88 3.07 1hi0P1 ASN 20 HB3 0.04 -0.03 0.22 -0.04 2.79 2.98 1hi0P1 ASN 20 HD21 0.02 -0.01 0.02 -0.04 7.03 7.01 1hi0P1 ASN 20 HD22 0.02 -0.01 0.06 -0.04 7.74 7.77 1hi0P1 ASN 21 H 0.07 0.75 0.07 -0.55 8.53 8.88 1hi0P1 ASN 21 HA 0.03 0.13 0.58 -0.75 4.76 4.74 1hi0P1 ASN 21 HB2 0.03 -0.05 0.10 -0.04 2.88 2.93 1hi0P1 ASN 21 HB3 0.06 0.06 -0.28 -0.04 2.79 2.59 1hi0P1 ASN 21 HD21 0.22 0.37 0.09 -0.04 7.03 7.66 1hi0P1 ASN 21 HD22 0.19 -0.04 -0.14 -0.04 7.74 7.71 1hi0P1 ILE 22 H 0.01 0.15 0.12 -0.55 8.25 7.99 1hi0P1 ILE 22 HA -0.01 0.11 0.34 -0.75 4.18 3.86 1hi0P1 ILE 22 HB -0.00 -0.04 0.12 -0.04 1.89 1.93 1hi0P1 ILE 22 HG12 0.00 -0.06 0.16 -0.04 1.49 1.55 1hi0P1 ILE 22 HG13 -0.00 0.05 0.06 -0.04 1.21 1.27 1hi0P1 ILE 22 HG23 -0.02 0.02 -0.04 -0.04 0.93 0.85 1hi0P1 ILE 22 HD13 -0.00 0.02 -0.02 -0.04 0.88 0.84 1hi0P1 LYS 23 H 0.01 0.07 -0.03 -0.55 8.42 7.91 1hi0P1 LYS 23 HA -0.04 0.05 0.38 -0.75 4.32 3.96 1hi0P1 LYS 23 HB2 0.07 -0.02 0.11 -0.04 1.87 1.99 1hi0P1 LYS 23 HB3 0.06 0.17 0.05 -0.04 1.79 2.03 1hi0P1 LYS 23 HG2 0.01 -0.12 0.09 -0.04 1.46 1.40 1hi0P1 LYS 23 HG3 0.03 -0.02 0.07 -0.04 1.46 1.51 1hi0P1 LYS 23 HD2 0.00 0.02 0.05 -0.04 1.69 1.72 1hi0P1 LYS 23 HD3 0.00 -0.04 0.02 -0.04 1.68 1.63 1hi0P1 LYS 23 HE2 0.05 0.27 0.06 -0.04 2.99 3.33 1hi0P1 LYS 23 HE3 0.02 0.00 -0.01 -0.04 2.99 2.96 1hi0P1 ALA 24 H 0.07 0.08 -0.21 -0.55 8.40 7.79 1hi0P1 ALA 24 HA -0.27 0.01 0.28 -0.75 4.34 3.61 1hi0P1 ALA 24 HB3 0.23 0.06 0.10 -0.04 1.41 1.75 1hi0P1 GLN 25 H -0.04 0.50 -0.07 -0.55 8.47 8.32 1hi0P1 GLN 25 HA -0.21 0.03 0.34 -0.75 4.36 3.77 1hi0P1 GLN 25 HB2 -0.05 0.03 0.13 -0.04 2.15 2.22 1hi0P1 GLN 25 HB3 -0.07 -0.06 -0.00 -0.04 2.02 1.84 1hi0P1 GLN 25 HG2 0.01 0.19 0.13 -0.04 2.40 2.68 1hi0P1 GLN 25 HG3 -0.01 -0.11 -0.04 -0.04 2.39 2.19 1hi0P1 GLN 25 HE21 -0.02 0.02 -0.03 -0.04 6.97 6.90 1hi0P1 GLN 25 HE22 -0.04 -0.05 -0.02 -0.04 7.69 7.54 1hi0P1 GLN 26 H -0.12 0.70 -0.08 -0.55 8.47 8.43 1hi0P1 GLN 26 HA -0.09 -0.02 0.38 -0.75 4.36 3.87 1hi0P1 GLN 26 HB2 -0.09 0.10 0.13 -0.04 2.15 2.25 1hi0P1 GLN 26 HB3 -0.06 -0.05 -0.00 -0.04 2.02 1.87 1hi0P1 GLN 26 HG2 -0.04 -0.04 0.01 -0.04 2.40 2.29 1hi0P1 GLN 26 HG3 -0.05 0.10 0.04 -0.04 2.39 2.44 1hi0P1 GLN 26 HE21 -0.02 -0.03 -0.04 -0.04 6.97 6.84 1hi0P1 GLN 26 HE22 -0.02 -0.01 -0.04 -0.04 7.69 7.58 1hi0P1 ALA 27 H -0.35 0.60 -0.15 -0.55 8.40 7.96 1hi0P1 ALA 27 HA -0.15 -0.02 0.40 -0.75 4.34 3.81 1hi0P1 ALA 27 HB3 -1.02 0.02 0.08 -0.04 1.41 0.45 1hi0P1 SER 28 H -0.66 0.45 -0.15 -0.55 8.46 7.55 1hi0P1 SER 28 HA -0.53 -0.00 0.34 -0.75 4.49 3.54 1hi0P1 SER 28 HB2 -1.15 -0.07 -0.01 -0.04 3.95 2.68 1hi0P1 SER 28 HB3 -2.99 -0.01 0.02 -0.04 3.93 0.91 1hi0P1 LYS 29 H -0.17 0.40 -0.18 -0.55 8.42 7.91 1hi0P1 LYS 29 HA 0.20 0.05 0.50 -0.75 4.32 4.32 1hi0P1 LYS 29 HB2 -0.04 0.04 0.06 -0.04 1.87 1.90 1hi0P1 LYS 29 HB3 0.02 -0.10 -0.01 -0.04 1.79 1.66 1hi0P1 LYS 29 HG2 -0.01 -0.06 -0.04 -0.04 1.46 1.31 1hi0P1 LYS 29 HG3 -0.09 0.06 -0.02 -0.04 1.46 1.37 1hi0P1 LYS 29 HD2 -0.05 0.00 -0.14 -0.04 1.69 1.46 1hi0P1 LYS 29 HD3 -0.02 -0.06 -0.05 -0.04 1.68 1.50 1hi0P1 LYS 29 HE2 -0.02 -0.04 -0.05 -0.04 2.99 2.83 1hi0P1 LYS 29 HE3 -0.06 0.05 -0.05 -0.04 2.99 2.89 1hi0P1 ARG 30 H 0.00 0.56 -0.12 -0.55 8.46 8.35 1hi0P1 ARG 30 HA 0.06 -0.17 0.35 -0.75 4.34 3.83 1hi0P1 ARG 30 HB2 0.02 0.11 0.16 -0.04 1.90 2.15 1hi0P1 ARG 30 HB3 0.06 -0.00 0.07 -0.04 1.80 1.88 1hi0P1 ARG 30 HG2 0.04 -0.06 -0.05 -0.04 1.67 1.56 1hi0P1 ARG 30 HG3 0.03 0.10 -0.03 -0.04 1.67 1.73 1hi0P1 ARG 30 HD2 -0.00 0.02 -0.06 -0.04 3.22 3.13 1hi0P1 ARG 30 HD3 0.01 -0.07 -0.03 -0.04 3.22 3.10 1hi0P1 SER 31 H 0.09 -0.03 0.17 -0.55 8.46 8.15 1hi0P1 SER 31 HA 0.28 0.20 0.75 -0.75 4.49 4.96 1hi0P1 SER 31 HB2 0.14 -0.11 0.18 -0.04 3.95 4.12 1hi0P1 SER 31 HB3 0.10 0.03 0.13 -0.04 3.93 4.15 1hi0P1 PHE 32 H 0.29 0.02 0.15 -0.55 8.34 8.25 1hi0P1 PHE 32 HA 0.04 0.13 0.37 -0.75 4.62 4.41 1hi0P1 PHE 32 HB2 0.05 0.11 -0.25 -0.04 3.15 3.02 1hi0P1 PHE 32 HB3 0.06 -0.13 0.01 -0.04 3.06 2.96 1hi0P1 PHE 32 HD2 0.03 0.06 -0.26 -0.04 7.28 7.07 1hi0P1 PHE 32 HE2 0.03 0.01 -0.12 -0.04 7.38 7.26 1hi0P1 PHE 32 HZ 0.05 0.04 -0.09 -0.04 7.32 7.28 1hi0P1 LYS 33 H -0.83 0.28 0.23 -0.55 8.42 7.54 1hi0P1 LYS 33 HA -0.15 0.10 0.76 -0.75 4.32 4.27 1hi0P1 LYS 33 HB2 -0.15 0.06 -0.05 -0.04 1.87 1.69 1hi0P1 LYS 33 HB3 -0.18 -0.02 -0.07 -0.04 1.79 1.48 1hi0P1 LYS 33 HG2 -0.06 -0.07 -0.01 -0.04 1.46 1.28 1hi0P1 LYS 33 HG3 -0.05 -0.03 0.12 -0.04 1.46 1.46 1hi0P1 LYS 33 HD2 0.02 0.27 -0.17 -0.04 1.69 1.77 1hi0P1 LYS 33 HD3 -0.01 0.07 -0.14 -0.04 1.68 1.56 1hi0P1 LYS 33 HE2 -0.00 -0.05 -0.01 -0.04 2.99 2.88 1hi0P1 LYS 33 HE3 0.02 -0.02 0.00 -0.04 2.99 2.95 1hi0P1 GLU 34 H -0.15 0.28 0.22 -0.55 8.60 8.40 1hi0P1 GLU 34 HA -0.33 0.19 0.60 -0.75 4.29 4.00 1hi0P1 GLU 34 HB2 -0.17 0.07 0.26 -0.04 2.09 2.21 1hi0P1 GLU 34 HB3 -0.16 0.10 -0.09 -0.04 1.99 1.81 1hi0P1 GLU 34 HG2 0.29 -0.07 -0.13 -0.04 2.34 2.40 1hi0P1 GLU 34 HG3 0.11 -0.03 -0.25 -0.04 2.34 2.14 1hi0P1 GLY 35 H -0.85 0.64 0.15 -0.55 8.43 7.83 1hi0P1 GLY 35 HA2 -0.74 -0.04 0.30 -0.51 4.01 3.02 1hi0P1 GLY 35 HA3 -0.36 0.12 0.57 -0.51 4.01 3.82 1hi0P1 ALA 36 H -0.11 0.07 0.10 -0.55 8.40 7.91 1hi0P1 ALA 36 HA -0.07 0.26 0.43 -0.75 4.34 4.21 1hi0P1 ALA 36 HB3 0.13 -0.04 0.10 -0.04 1.41 1.55 1hi0P1 ILE 37 H -0.01 0.34 0.29 -0.55 8.25 8.32 1hi0P1 ILE 37 HA -0.06 0.15 0.73 -0.75 4.18 4.25 1hi0P1 ILE 37 HB -0.02 -0.13 -0.07 -0.04 1.89 1.62 1hi0P1 ILE 37 HG12 0.04 0.04 0.02 -0.04 1.49 1.55 1hi0P1 ILE 37 HG13 0.01 -0.14 -0.51 -0.04 1.21 0.53 1hi0P1 ILE 37 HG23 -0.08 0.09 -0.17 -0.04 0.93 0.73 1hi0P1 ILE 37 HD13 0.02 0.05 -0.34 -0.04 0.88 0.57 1hi0P1 GLU 38 H -0.02 0.09 0.10 -0.55 8.60 8.22 1hi0P1 GLU 38 HA -0.01 0.21 0.71 -0.75 4.29 4.45 1hi0P1 GLU 38 HB2 -0.01 -0.01 0.14 -0.04 2.09 2.17 1hi0P1 GLU 38 HB3 -0.01 -0.18 0.20 -0.04 1.99 1.95 1hi0P1 GLU 38 HG2 0.01 0.20 0.00 -0.04 2.34 2.51 1hi0P1 GLU 38 HG3 0.00 0.03 -0.07 -0.04 2.34 2.26 1hi0P1 THR 39 H -0.03 0.27 0.11 -0.55 8.28 8.09 1hi0P1 THR 39 HA -0.11 0.06 0.28 -0.75 4.39 3.87 1hi0P1 THR 39 HB -0.16 -0.04 0.01 -0.04 4.32 4.09 1hi0P1 THR 39 HG23 -0.18 0.02 -0.13 -0.04 1.22 0.89 1hi0P1 TYR 40 H 0.02 0.34 -0.05 -0.55 8.29 8.05 1hi0P1 TYR 40 HA 0.00 0.16 0.63 -0.75 4.56 4.59 1hi0P1 TYR 40 HB2 0.11 -0.03 -0.07 -0.04 3.06 3.03 1hi0P1 TYR 40 HB3 0.05 -0.03 0.03 -0.04 2.98 2.99 1hi0P1 TYR 40 HD2 0.07 -0.09 -0.02 -0.04 7.15 7.08 1hi0P1 TYR 40 HE2 0.10 0.08 0.01 -0.04 6.85 6.99 1hi0P1 GLU 41 H 0.13 0.15 0.10 -0.55 8.60 8.43 1hi0P1 GLU 41 HA 0.04 -0.05 0.41 -0.75 4.29 3.94 1hi0P1 GLU 41 HB2 0.03 -0.01 0.16 -0.04 2.09 2.23 1hi0P1 GLU 41 HB3 0.03 0.04 -0.06 -0.04 1.99 1.96 1hi0P1 GLU 41 HG2 0.01 -0.03 0.07 -0.04 2.34 2.35 1hi0P1 GLU 41 HG3 0.01 0.04 0.08 -0.04 2.34 2.43 1hi0P1 GLY 42 H 0.03 0.07 0.19 -0.55 8.43 8.17 1hi0P1 GLY 42 HA2 0.02 -0.02 0.33 -0.51 4.01 3.83 1hi0P1 GLY 42 HA3 0.03 0.08 0.39 -0.51 4.01 4.00 1hi0P1 LEU 43 H 0.04 0.48 -0.20 -0.55 8.37 8.14 1hi0P1 LEU 43 HA -0.01 0.12 0.90 -0.75 4.35 4.60 1hi0P1 LEU 43 HB2 0.05 0.09 -0.28 -0.04 1.64 1.45 1hi0P1 LEU 43 HB3 0.01 -0.13 0.02 -0.04 1.64 1.50 1hi0P1 LEU 43 HG -0.15 0.01 -0.04 -0.04 1.64 1.42 1hi0P1 LEU 43 HD13 -0.38 -0.01 -0.11 -0.04 0.93 0.39 1hi0P1 LEU 43 HD23 -0.07 0.02 -0.02 -0.04 0.89 0.78 1hi0P1 LEU 44 H 0.01 0.15 0.14 -0.55 8.37 8.12 1hi0P1 LEU 44 HA 0.01 0.25 0.86 -0.75 4.35 4.71 1hi0P1 LEU 44 HB2 0.03 0.01 0.14 -0.04 1.64 1.78 1hi0P1 LEU 44 HB3 0.06 -0.15 -0.02 -0.04 1.64 1.48 1hi0P1 LEU 44 HG 0.03 0.04 -0.10 -0.04 1.64 1.57 1hi0P1 LEU 44 HD13 0.01 0.02 -0.19 -0.04 0.93 0.72 1hi0P1 LEU 44 HD23 0.03 0.02 -0.03 -0.04 0.89 0.86 1hi0P1 SER 45 H 0.07 0.61 0.37 -0.55 8.46 8.97 1hi0P1 SER 45 HA 0.32 0.11 0.41 -0.75 4.49 4.58 1hi0P1 SER 45 HB2 0.28 0.08 0.21 -0.04 3.95 4.47 1hi0P1 SER 45 HB3 0.15 -0.00 0.24 -0.04 3.93 4.27 1hi0P1 VAL 46 H 0.15 -0.03 -0.31 -0.55 8.24 7.49 1hi0P1 VAL 46 HA 0.11 0.29 0.83 -0.75 4.13 4.62 1hi0P1 VAL 46 HB 0.04 0.05 0.08 -0.04 2.12 2.24 1hi0P1 VAL 46 HG13 0.20 0.00 -0.11 -0.04 0.97 1.02 1hi0P1 VAL 46 HG23 0.12 -0.03 -0.07 -0.04 0.95 0.92 1hi0P1 ASP 47 H 0.13 0.42 -0.25 -0.55 8.40 8.15 1hi0P1 ASP 47 HA 0.03 0.07 0.44 -0.75 4.63 4.41 1hi0P1 ASP 47 HB2 0.05 -0.08 0.22 -0.04 2.71 2.86 1hi0P1 ASP 47 HB3 0.14 0.07 0.16 -0.04 2.70 3.03 1hi0P1 PRO 48 HA -0.10 0.12 0.44 -0.51 4.44 4.40 1hi0P1 PRO 48 HB2 -0.10 -0.01 0.13 -0.04 2.28 2.26 1hi0P1 PRO 48 HB3 -0.09 0.05 0.11 -0.04 2.02 2.04 1hi0P1 PRO 48 HG2 -0.05 0.03 0.14 -0.04 2.03 2.11 1hi0P1 PRO 48 HG3 -0.05 0.11 0.17 -0.04 2.03 2.22 1hi0P1 PRO 48 HD2 -0.04 0.04 0.25 -0.04 3.68 3.90 1hi0P1 PRO 48 HD3 -0.01 0.13 0.29 -0.04 3.65 4.02 1hi0P1 ARG 49 H -0.15 0.12 -0.07 -0.55 8.46 7.81 1hi0P1 ARG 49 HA -0.36 0.10 0.45 -0.75 4.34 3.77 1hi0P1 ARG 49 HB2 -0.48 -0.11 0.07 -0.04 1.90 1.34 1hi0P1 ARG 49 HB3 -1.57 0.11 -0.04 -0.04 1.80 0.25 1hi0P1 ARG 49 HG2 -0.50 0.35 0.18 -0.04 1.67 1.66 1hi0P1 ARG 49 HG3 -0.29 -0.09 0.11 -0.04 1.67 1.36 1hi0P1 ARG 49 HD2 -0.14 0.00 0.07 -0.04 3.22 3.11 1hi0P1 ARG 49 HD3 -0.13 -0.12 0.09 -0.04 3.22 3.02 1hi0P1 PHE 50 H 0.10 0.06 -0.33 -0.55 8.34 7.61 1hi0P1 PHE 50 HA 0.09 -0.01 0.36 -0.75 4.62 4.31 1hi0P1 PHE 50 HB2 0.18 -0.11 0.07 -0.04 3.15 3.24 1hi0P1 PHE 50 HB3 0.09 0.22 0.05 -0.04 3.06 3.38 1hi0P1 PHE 50 HD2 0.17 0.07 0.03 -0.04 7.28 7.51 1hi0P1 PHE 50 HE2 0.54 0.02 0.05 -0.04 7.38 7.95 1hi0P1 PHE 50 HZ 0.63 0.10 0.11 -0.04 7.32 8.12 1hi0P1 LEU 51 H 0.04 0.60 -0.09 -0.55 8.37 8.37 1hi0P1 LEU 51 HA -0.16 0.07 0.36 -0.75 4.35 3.86 1hi0P1 LEU 51 HB2 -0.27 0.01 0.07 -0.04 1.64 1.42 1hi0P1 LEU 51 HB3 -0.76 -0.04 -0.01 -0.04 1.64 0.79 1hi0P1 LEU 51 HG -0.05 0.16 -0.19 -0.04 1.64 1.52 1hi0P1 LEU 51 HD13 -0.28 -0.04 0.01 -0.04 0.93 0.58 1hi0P1 LEU 51 HD23 -0.10 -0.01 0.05 -0.04 0.89 0.78 1hi0P1 SER 52 H -0.13 0.67 -0.18 -0.55 8.46 8.27 1hi0P1 SER 52 HA -0.09 -0.04 0.37 -0.75 4.49 3.98 1hi0P1 SER 52 HB2 -0.13 0.01 0.11 -0.04 3.95 3.90 1hi0P1 SER 52 HB3 -0.17 0.21 0.22 -0.04 3.93 4.14 1hi0P1 PHE 53 H -0.02 0.68 -0.10 -0.55 8.34 8.35 1hi0P1 PHE 53 HA -0.13 -0.03 0.40 -0.75 4.62 4.12 1hi0P1 PHE 53 HB2 -0.23 -0.03 0.09 -0.04 3.15 2.94 1hi0P1 PHE 53 HB3 -0.16 0.25 0.27 -0.04 3.06 3.38 1hi0P1 PHE 53 HD2 -0.16 0.09 -0.28 -0.04 7.28 6.89 1hi0P1 PHE 53 HE2 -0.62 0.04 -0.06 -0.04 7.38 6.69 1hi0P1 PHE 53 HZ -0.72 -0.05 -0.08 -0.04 7.32 6.42 1hi0P1 LYS 54 H -0.12 0.85 -0.01 -0.55 8.42 8.59 1hi0P1 LYS 54 HA -0.53 -0.10 0.32 -0.75 4.32 3.26 1hi0P1 LYS 54 HB2 -0.13 0.12 0.16 -0.04 1.87 1.98 1hi0P1 LYS 54 HB3 0.13 -0.00 -0.10 -0.04 1.79 1.78 1hi0P1 LYS 54 HG2 -0.07 -0.11 -0.03 -0.04 1.46 1.21 1hi0P1 LYS 54 HG3 -0.30 -0.09 0.02 -0.04 1.46 1.05 1hi0P1 LYS 54 HD2 -0.50 -0.05 -0.01 -0.04 1.69 1.08 1hi0P1 LYS 54 HD3 0.13 0.06 0.04 -0.04 1.68 1.87 1hi0P1 LYS 54 HE2 0.15 -0.10 0.08 -0.04 2.99 3.08 1hi0P1 LYS 54 HE3 0.14 0.03 0.09 -0.04 2.99 3.21 1hi0P1 ASN 55 H 0.03 0.72 -0.23 -0.55 8.53 8.50 1hi0P1 ASN 55 HA 0.03 -0.01 0.40 -0.75 4.76 4.43 1hi0P1 ASN 55 HB2 0.27 0.02 0.03 -0.04 2.88 3.16 1hi0P1 ASN 55 HB3 0.03 0.14 0.19 -0.04 2.79 3.12 1hi0P1 ASN 55 HD21 0.06 -0.07 -0.14 -0.04 7.03 6.83 1hi0P1 ASN 55 HD22 0.02 0.07 -0.18 -0.04 7.74 7.61 1hi0P1 GLU 56 H -0.07 0.69 0.03 -0.55 8.60 8.71 1hi0P1 GLU 56 HA 0.02 -0.01 0.44 -0.75 4.29 3.99 1hi0P1 GLU 56 HB2 -0.02 0.05 0.14 -0.04 2.09 2.21 1hi0P1 GLU 56 HB3 -0.09 0.08 0.19 -0.04 1.99 2.13 1hi0P1 GLU 56 HG2 -0.04 -0.06 -0.14 -0.04 2.34 2.06 1hi0P1 GLU 56 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 1hi0P1 LEU 57 H -0.32 0.79 -0.03 -0.55 8.37 8.26 1hi0P1 LEU 57 HA -0.14 -0.04 0.37 -0.75 4.35 3.78 1hi0P1 LEU 57 HB2 -0.77 0.01 0.03 -0.04 1.64 0.87 1hi0P1 LEU 57 HB3 -0.60 0.09 0.04 -0.04 1.64 1.13 1hi0P1 LEU 57 HG -0.19 -0.01 -0.28 -0.04 1.64 1.11 1hi0P1 LEU 57 HD13 -0.11 -0.02 -0.09 -0.04 0.93 0.67 1hi0P1 LEU 57 HD23 -0.35 -0.00 -0.09 -0.04 0.89 0.41 1hi0P1 SER 58 H -0.11 0.66 -0.13 -0.55 8.46 8.33 1hi0P1 SER 58 HA 0.07 -0.04 0.37 -0.75 4.49 4.14 1hi0P1 SER 58 HB2 0.32 -0.15 -0.18 -0.04 3.95 3.89 1hi0P1 SER 58 HB3 0.03 0.06 0.10 -0.04 3.93 4.08 1hi0P1 ARG 59 H 0.16 0.60 -0.14 -0.55 8.46 8.53 1hi0P1 ARG 59 HA 0.56 -0.05 0.30 -0.75 4.34 4.39 1hi0P1 ARG 59 HB2 0.16 0.16 0.19 -0.04 1.90 2.37 1hi0P1 ARG 59 HB3 0.20 -0.06 -0.05 -0.04 1.80 1.86 1hi0P1 ARG 59 HG2 0.25 -0.07 0.00 -0.04 1.67 1.81 1hi0P1 ARG 59 HG3 0.22 0.01 0.06 -0.04 1.67 1.91 1hi0P1 ARG 59 HD2 0.11 0.12 -0.09 -0.04 3.22 3.31 1hi0P1 ARG 59 HD3 0.12 -0.06 -0.03 -0.04 3.22 3.21 1hi0P1 TYR 60 H 0.20 0.67 -0.07 -0.55 8.29 8.53 1hi0P1 TYR 60 HA 0.10 -0.01 0.39 -0.75 4.56 4.29 1hi0P1 TYR 60 HB2 -0.03 0.03 0.13 -0.04 3.06 3.15 1hi0P1 TYR 60 HB3 -0.07 0.08 0.17 -0.04 2.98 3.12 1hi0P1 TYR 60 HD2 -0.10 0.02 -0.10 -0.04 7.15 6.93 1hi0P1 TYR 60 HE2 -0.17 -0.01 -0.04 -0.04 6.85 6.58 1hi0P1 LEU 61 H 0.08 0.68 -0.05 -0.55 8.37 8.53 1hi0P1 LEU 61 HA 0.07 -0.02 0.37 -0.75 4.35 4.01 1hi0P1 LEU 61 HB2 -0.52 0.15 0.16 -0.04 1.64 1.39 1hi0P1 LEU 61 HB3 -1.79 -0.05 -0.03 -0.04 1.64 -0.27 1hi0P1 LEU 61 HG -0.06 0.08 0.06 -0.04 1.64 1.68 1hi0P1 LEU 61 HD13 -0.37 -0.02 -0.04 -0.04 0.93 0.45 1hi0P1 LEU 61 HD23 -0.10 -0.02 -0.03 -0.04 0.89 0.69 1hi0P1 THR 62 H 0.03 0.63 -0.11 -0.55 8.28 8.28 1hi0P1 THR 62 HA 0.35 0.00 0.31 -0.75 4.39 4.30 1hi0P1 THR 62 HB 0.07 0.21 0.09 -0.04 4.32 4.64 1hi0P1 THR 62 HG23 -0.28 -0.03 0.01 -0.04 1.22 0.88 1hi0P1 ASP 63 H 0.08 0.47 -0.34 -0.55 8.40 8.07 1hi0P1 ASP 63 HA 0.02 0.01 0.48 -0.75 4.63 4.38 1hi0P1 ASP 63 HB2 0.10 0.08 0.11 -0.04 2.71 2.96 1hi0P1 ASP 63 HB3 0.13 0.05 0.17 -0.04 2.70 3.00 1hi0P1 HIS 64 H 0.00 0.65 0.08 -0.55 8.41 8.60 1hi0P1 HIS 64 HA -0.37 0.08 0.61 -0.75 4.63 4.19 1hi0P1 HIS 64 HB2 -0.68 0.04 0.06 -0.04 3.26 2.64 1hi0P1 HIS 64 HB3 -0.94 -0.08 0.13 -0.04 3.20 2.27 1hi0P1 HIS 64 HD2 -0.25 -0.04 0.02 -0.04 6.97 6.65 1hi0P1 HIS 64 HE1 -0.19 -0.03 -0.01 -0.04 7.75 7.48 1hi0P1 PHE 65 H 0.10 0.40 -0.54 -0.55 8.34 7.75 1hi0P1 PHE 65 HA 0.06 0.12 0.80 -0.75 4.62 4.85 1hi0P1 PHE 65 HB2 0.15 0.04 0.09 -0.04 3.15 3.39 1hi0P1 PHE 65 HB3 0.17 -0.10 0.08 -0.04 3.06 3.17 1hi0P1 PHE 65 HD2 -0.03 0.03 -0.00 -0.04 7.28 7.24 1hi0P1 PHE 65 HE2 0.04 -0.05 -0.04 -0.04 7.38 7.29 1hi0P1 PHE 65 HZ 0.07 -0.08 -0.03 -0.04 7.32 7.24 1hi0P1 PRO 66 HA 0.09 0.02 0.48 -0.51 4.44 4.51 1hi0P1 PRO 66 HB2 0.04 0.02 0.03 -0.04 2.28 2.33 1hi0P1 PRO 66 HB3 0.03 0.07 0.12 -0.04 2.02 2.19 1hi0P1 PRO 66 HG2 0.03 -0.01 -0.00 -0.04 2.03 2.00 1hi0P1 PRO 66 HG3 -0.01 0.01 0.03 -0.04 2.03 2.02 1hi0P1 PRO 66 HD2 -0.02 0.10 -0.08 -0.04 3.68 3.63 1hi0P1 PRO 66 HD3 -0.04 0.32 -0.17 -0.04 3.65 3.72 1hi0P1 ALA 67 H 0.03 0.01 0.03 -0.55 8.40 7.92 1hi0P1 ALA 67 HA -0.01 0.18 0.21 -0.75 4.34 3.97 1hi0P1 ALA 67 HB3 0.01 -0.03 -0.19 -0.04 1.41 1.17 1hi0P1 ASN 68 H -0.12 0.71 0.17 -0.55 8.53 8.74 1hi0P1 ASN 68 HA -0.23 0.15 0.81 -0.75 4.76 4.73 1hi0P1 ASN 68 HB2 -0.38 0.02 0.25 -0.04 2.88 2.73 1hi0P1 ASN 68 HB3 -1.55 -0.12 -0.07 -0.04 2.79 1.01 1hi0P1 ASN 68 HD21 0.02 -0.01 -0.14 -0.04 7.03 6.86 1hi0P1 ASN 68 HD22 -0.06 0.37 -0.59 -0.04 7.74 7.43 1hi0P1 VAL 69 H 0.03 0.28 -0.12 -0.55 8.24 7.88 1hi0P1 VAL 69 HA 0.06 0.36 0.96 -0.75 4.13 4.76 1hi0P1 VAL 69 HB -0.09 -0.01 -0.01 -0.04 2.12 1.98 1hi0P1 VAL 69 HG13 -0.33 0.04 -0.33 -0.04 0.97 0.31 1hi0P1 VAL 69 HG23 -0.09 0.02 -0.22 -0.04 0.95 0.61 1hi0P1 ASP 70 H 0.28 0.56 0.17 -0.55 8.40 8.86 1hi0P1 ASP 70 HA 0.18 0.17 0.53 -0.75 4.63 4.76 1hi0P1 ASP 70 HB2 0.08 -0.06 0.19 -0.04 2.71 2.88 1hi0P1 ASP 70 HB3 0.09 0.08 0.08 -0.04 2.70 2.90 1hi0P1 GLU 71 H 0.07 0.16 0.17 -0.55 8.60 8.46 1hi0P1 GLU 71 HA 0.02 0.13 0.38 -0.75 4.29 4.06 1hi0P1 GLU 71 HB2 -0.13 -0.00 0.04 -0.04 2.09 1.96 1hi0P1 GLU 71 HB3 -0.20 0.07 0.13 -0.04 1.99 1.95 1hi0P1 GLU 71 HG2 -0.02 0.03 0.06 -0.04 2.34 2.37 1hi0P1 GLU 71 HG3 0.00 0.04 0.09 -0.04 2.34 2.43 1hi0P1 TYR 72 H 0.15 -0.09 -0.68 -0.55 8.29 7.12 1hi0P1 TYR 72 HA -0.19 0.30 0.87 -0.75 4.56 4.79 1hi0P1 TYR 72 HB2 -0.08 -0.08 0.05 -0.04 3.06 2.91 1hi0P1 TYR 72 HB3 0.04 0.05 0.19 -0.04 2.98 3.21 1hi0P1 TYR 72 HD2 -0.70 -0.04 -0.03 -0.04 7.15 6.34 1hi0P1 TYR 72 HE2 -0.34 -0.01 -0.05 -0.04 6.85 6.41 1hi0P1 GLY 73 H 0.18 0.63 -0.20 -0.55 8.43 8.49 1hi0P1 GLY 73 HA2 0.02 0.03 0.31 -0.51 4.01 3.86 1hi0P1 GLY 73 HA3 0.42 0.22 0.48 -0.51 4.01 4.62 1hi0P1 ARG 74 H 0.21 -0.07 -0.56 -0.55 8.46 7.49 1hi0P1 ARG 74 HA 0.32 0.13 0.62 -0.75 4.34 4.65 1hi0P1 ARG 74 HB2 0.12 -0.13 0.02 -0.04 1.90 1.87 1hi0P1 ARG 74 HB3 0.13 0.07 0.01 -0.04 1.80 1.96 1hi0P1 ARG 74 HG2 0.12 0.13 -0.01 -0.04 1.67 1.87 1hi0P1 ARG 74 HG3 0.12 -0.14 -0.03 -0.04 1.67 1.58 1hi0P1 ARG 74 HD2 -0.49 -0.05 -0.02 -0.04 3.22 2.62 1hi0P1 ARG 74 HD3 -1.17 0.04 -0.04 -0.04 3.22 2.01 1hi0P1 VAL 75 H 0.25 0.31 0.33 -0.55 8.24 8.59 1hi0P1 VAL 75 HA 0.04 0.32 1.21 -0.75 4.13 4.95 1hi0P1 VAL 75 HB -0.02 -0.01 -0.01 -0.04 2.12 2.04 1hi0P1 VAL 75 HG13 0.06 0.04 0.11 -0.04 0.97 1.14 1hi0P1 VAL 75 HG23 -0.02 0.01 -0.16 -0.04 0.95 0.74 1hi0P1 TYR 76 H -0.35 0.49 0.23 -0.55 8.29 8.11 1hi0P1 TYR 76 HA 0.09 0.32 0.82 -0.75 4.56 5.04 1hi0P1 TYR 76 HB2 0.08 -0.09 0.10 -0.04 3.06 3.12 1hi0P1 TYR 76 HB3 0.11 -0.01 -0.18 -0.04 2.98 2.86 1hi0P1 TYR 76 HD2 0.07 -0.03 -0.11 -0.04 7.15 7.04 1hi0P1 TYR 76 HE2 0.05 -0.03 -0.27 -0.04 6.85 6.56 1hi0P1 GLY 77 H 0.36 0.16 0.15 -0.55 8.43 8.54 1hi0P1 GLY 77 HA2 0.18 0.04 0.37 -0.51 4.01 4.09 1hi0P1 GLY 77 HA3 -0.01 0.00 0.44 -0.51 4.01 3.94 1hi0P1 ASN 78 H -0.01 0.19 0.23 -0.55 8.53 8.39 1hi0P1 ASN 78 HA 0.09 0.10 0.46 -0.75 4.76 4.66 1hi0P1 ASN 78 HB2 0.20 -0.03 0.14 -0.04 2.88 3.15 1hi0P1 ASN 78 HB3 0.17 0.04 0.12 -0.04 2.79 3.08 1hi0P1 ASN 78 HD21 0.12 0.70 -0.10 -0.04 7.03 7.70 1hi0P1 ASN 78 HD22 0.25 -0.04 -0.01 -0.04 7.74 7.90 1hi0P1 GLY 79 H -0.04 0.45 -0.45 -0.55 8.43 7.84 1hi0P1 GLY 79 HA2 -0.01 0.10 0.16 -0.51 4.01 3.75 1hi0P1 GLY 79 HA3 0.03 0.04 0.42 -0.51 4.01 3.99 1hi0P1 VAL 80 H 0.02 0.04 -0.59 -0.55 8.24 7.16 1hi0P1 VAL 80 HA -0.02 -0.01 0.62 -0.75 4.13 3.97 1hi0P1 VAL 80 HB 0.08 0.08 -0.09 -0.04 2.12 2.15 1hi0P1 VAL 80 HG13 -0.09 0.03 -0.19 -0.04 0.97 0.69 1hi0P1 VAL 80 HG23 0.25 0.02 -0.07 -0.04 0.95 1.11 1hi0P1 ARG 81 H -0.08 0.10 0.19 -0.55 8.46 8.12 1hi0P1 ARG 81 HA -0.05 0.17 0.90 -0.75 4.34 4.61 1hi0P1 ARG 81 HB2 -0.02 0.08 0.15 -0.04 1.90 2.07 1hi0P1 ARG 81 HB3 -0.02 0.03 -0.02 -0.04 1.80 1.75 1hi0P1 ARG 81 HG2 -0.03 -0.12 0.03 -0.04 1.67 1.51 1hi0P1 ARG 81 HG3 -0.02 0.01 -0.21 -0.04 1.67 1.41 1hi0P1 ARG 81 HD2 0.02 0.20 0.10 -0.04 3.22 3.49 1hi0P1 ARG 81 HD3 0.02 -0.00 -0.04 -0.04 3.22 3.15 1hi0P1 THR 82 H -0.18 0.16 0.02 -0.55 8.28 7.73 1hi0P1 THR 82 HA -0.05 0.07 0.33 -0.75 4.39 3.99 1hi0P1 THR 82 HB -0.02 0.24 0.03 -0.04 4.32 4.53 1hi0P1 THR 82 HG23 -0.13 0.04 -0.15 -0.04 1.22 0.93 1hi0P1 ASN 83 H -0.13 0.10 0.16 -0.55 8.53 8.12 1hi0P1 ASN 83 HA -0.20 0.22 0.49 -0.75 4.76 4.52 1hi0P1 ASN 83 HB2 -0.72 -0.04 0.21 -0.04 2.88 2.29 1hi0P1 ASN 83 HB3 -0.19 0.06 0.18 -0.04 2.79 2.80 1hi0P1 ASN 83 HD21 0.15 0.35 0.21 -0.04 7.03 7.69 1hi0P1 ASN 83 HD22 0.03 -0.02 0.14 -0.04 7.74 7.85 1hi0P1 PHE 84 H -0.14 0.20 0.15 -0.55 8.34 8.00 1hi0P1 PHE 84 HA -0.06 0.22 0.93 -0.75 4.62 4.96 1hi0P1 PHE 84 HB2 -0.07 0.14 0.16 -0.04 3.15 3.33 1hi0P1 PHE 84 HB3 -0.01 -0.02 0.18 -0.04 3.06 3.17 1hi0P1 PHE 84 HD2 -0.04 -0.06 -0.06 -0.04 7.28 7.07 1hi0P1 PHE 84 HE2 0.03 0.15 -0.14 -0.04 7.38 7.38 1hi0P1 PHE 84 HZ -0.02 -0.01 -0.07 -0.04 7.32 7.19 1hi0P1 PHE 85 H -0.25 0.13 -0.19 -0.55 8.34 7.47 1hi0P1 PHE 85 HA -0.06 0.13 0.42 -0.75 4.62 4.36 1hi0P1 PHE 85 HB2 0.02 0.15 -0.01 -0.04 3.15 3.27 1hi0P1 PHE 85 HB3 -0.13 0.06 0.05 -0.04 3.06 3.00 1hi0P1 PHE 85 HD2 0.10 0.09 -0.15 -0.04 7.28 7.27 1hi0P1 PHE 85 HE2 0.17 -0.01 -0.15 -0.04 7.38 7.35 1hi0P1 PHE 85 HZ 0.19 0.06 -0.05 -0.04 7.32 7.48 1hi0P1 GLY 86 H 0.08 0.04 -0.75 -0.55 8.43 7.26 1hi0P1 GLY 86 HA2 0.15 0.26 0.36 -0.51 4.01 4.27 1hi0P1 GLY 86 HA3 0.11 -0.00 0.14 -0.51 4.01 3.75 1hi0P1 MET 87 H 0.11 0.23 -0.26 -0.55 8.47 8.00 1hi0P1 MET 87 HA 0.17 0.17 0.42 -0.75 4.52 4.53 1hi0P1 MET 87 HB2 0.10 0.04 0.05 -0.04 2.15 2.30 1hi0P1 MET 87 HB3 0.17 -0.06 -0.02 -0.04 2.03 2.08 1hi0P1 MET 87 HG2 0.09 0.23 0.12 -0.04 2.63 3.03 1hi0P1 MET 87 HG3 -0.03 0.05 -0.15 -0.04 2.56 2.39 1hi0P1 MET 87 HE3 0.10 -0.01 -0.06 -0.04 2.10 2.08 1hi0P1 ARG 88 H -0.14 0.26 -0.63 -0.55 8.46 7.40 1hi0P1 ARG 88 HA -0.70 0.07 0.34 -0.75 4.34 3.30 1hi0P1 ARG 88 HB2 -0.47 0.11 0.17 -0.04 1.90 1.67 1hi0P1 ARG 88 HB3 -1.08 0.18 0.35 -0.04 1.80 1.22 1hi0P1 ARG 88 HG2 -0.76 -0.01 -0.07 -0.04 1.67 0.78 1hi0P1 ARG 88 HG3 -0.29 -0.14 0.05 -0.04 1.67 1.25 1hi0P1 ARG 88 HD2 -1.08 -0.15 0.03 -0.04 3.22 1.98 1hi0P1 ARG 88 HD3 -1.23 0.49 0.16 -0.04 3.22 2.60 1hi0P1 HIS 89 H 0.15 0.60 -0.24 -0.55 8.41 8.37 1hi0P1 HIS 89 HA 0.18 0.10 1.03 -0.75 4.63 5.18 1hi0P1 HIS 89 HB2 0.12 0.14 0.01 -0.04 3.26 3.49 1hi0P1 HIS 89 HB3 0.14 -0.09 -0.20 -0.04 3.20 3.01 1hi0P1 HIS 89 HD2 0.17 0.13 -0.54 -0.04 6.97 6.68 1hi0P1 HIS 89 HE1 0.00 0.09 0.03 -0.04 7.75 7.83 1hi0P1 MET 90 H 0.30 0.72 0.17 -0.55 8.47 9.12 1hi0P1 MET 90 HA 0.26 0.14 0.57 -0.75 4.52 4.75 1hi0P1 MET 90 HB2 0.25 -0.02 0.13 -0.04 2.15 2.47 1hi0P1 MET 90 HB3 0.22 -0.06 -0.00 -0.04 2.03 2.14 1hi0P1 MET 90 HG2 0.18 0.03 -0.16 -0.04 2.63 2.63 1hi0P1 MET 90 HG3 0.01 -0.06 -0.15 -0.04 2.56 2.32 1hi0P1 MET 90 HE3 0.02 0.01 -0.20 -0.04 2.10 1.89 1hi0P1 ASN 91 H 0.25 0.45 -0.02 -0.55 8.53 8.67 1hi0P1 ASN 91 HA 0.12 -0.02 0.28 -0.75 4.76 4.38 1hi0P1 ASN 91 HB2 0.14 -0.16 0.13 -0.04 2.88 2.96 1hi0P1 ASN 91 HB3 0.07 0.09 -0.02 -0.04 2.79 2.88 1hi0P1 ASN 91 HD21 0.21 0.15 0.11 -0.04 7.03 7.46 1hi0P1 ASN 91 HD22 0.15 -0.15 -0.04 -0.04 7.74 7.66 1hi0P1 GLY 92 H -0.01 0.14 0.11 -0.55 8.43 8.12 1hi0P1 GLY 92 HA2 -0.20 -0.01 0.35 -0.51 4.01 3.64 1hi0P1 GLY 92 HA3 -0.32 0.27 0.88 -0.51 4.01 4.33 1hi0P1 PHE 93 H 0.15 0.50 0.05 -0.55 8.34 8.49 1hi0P1 PHE 93 HA 0.04 0.18 0.98 -0.75 4.62 5.07 1hi0P1 PHE 93 HB2 0.08 0.07 0.15 -0.04 3.15 3.42 1hi0P1 PHE 93 HB3 0.11 0.04 -0.01 -0.04 3.06 3.15 1hi0P1 PHE 93 HD2 0.07 0.15 -0.18 -0.04 7.28 7.27 1hi0P1 PHE 93 HE2 -0.38 -0.01 -0.16 -0.04 7.38 6.79 1hi0P1 PHE 93 HZ -0.23 -0.05 -0.04 -0.04 7.32 6.96 1hi0P1 PRO 94 HA 0.06 0.10 0.44 -0.51 4.44 4.53 1hi0P1 PRO 94 HB2 0.04 0.19 0.01 -0.04 2.28 2.48 1hi0P1 PRO 94 HB3 -0.02 -0.04 0.01 -0.04 2.02 1.93 1hi0P1 PRO 94 HG2 0.37 0.03 -0.09 -0.04 2.03 2.31 1hi0P1 PRO 94 HG3 0.11 0.07 0.04 -0.04 2.03 2.21 1hi0P1 PRO 94 HD2 0.21 0.00 0.22 -0.04 3.68 4.08 1hi0P1 PRO 94 HD3 -0.05 0.22 0.15 -0.04 3.65 3.92 1hi0P1 MET 95 H 0.03 0.32 0.15 -0.55 8.47 8.43 1hi0P1 MET 95 HA 0.09 0.11 0.52 -0.75 4.52 4.48 1hi0P1 MET 95 HB2 0.02 -0.02 -0.28 -0.04 2.15 1.83 1hi0P1 MET 95 HB3 0.04 0.02 -0.15 -0.04 2.03 1.89 1hi0P1 MET 95 HG2 -0.03 -0.05 0.10 -0.04 2.63 2.61 1hi0P1 MET 95 HG3 -0.04 0.13 -0.33 -0.04 2.56 2.28 1hi0P1 MET 95 HE3 -0.09 0.04 0.03 -0.04 2.10 2.04 1hi0P1 ILE 96 H 0.04 0.49 0.29 -0.55 8.25 8.52 1hi0P1 ILE 96 HA -0.02 0.20 0.94 -0.75 4.18 4.55 1hi0P1 ILE 96 HB 0.01 -0.09 0.14 -0.04 1.89 1.90 1hi0P1 ILE 96 HG12 0.07 0.08 -0.26 -0.04 1.49 1.34 1hi0P1 ILE 96 HG13 -0.00 -0.09 -0.04 -0.04 1.21 1.03 1hi0P1 ILE 96 HG23 -0.12 -0.00 0.03 -0.04 0.93 0.79 1hi0P1 ILE 96 HD13 -0.07 0.04 -0.12 -0.04 0.88 0.68 1hi0P1 PRO 97 HA -0.05 0.15 0.43 -0.51 4.44 4.46 1hi0P1 PRO 97 HB2 0.08 0.08 -0.05 -0.04 2.28 2.35 1hi0P1 PRO 97 HB3 0.08 -0.05 0.01 -0.04 2.02 2.01 1hi0P1 PRO 97 HG2 0.01 0.14 -0.22 -0.04 2.03 1.91 1hi0P1 PRO 97 HG3 0.30 -0.06 -0.05 -0.04 2.03 2.17 1hi0P1 PRO 97 HD2 0.05 0.06 0.39 -0.04 3.68 4.14 1hi0P1 PRO 97 HD3 0.20 0.05 0.02 -0.04 3.65 3.87 1hi0P1 ALA 98 H -0.13 0.45 0.18 -0.55 8.40 8.35 1hi0P1 ALA 98 HA -0.20 0.09 0.57 -0.75 4.34 4.04 1hi0P1 ALA 98 HB3 -0.61 -0.03 0.11 -0.04 1.41 0.84 1hi0P1 THR 99 H -0.09 0.13 0.11 -0.55 8.28 7.88 1hi0P1 THR 99 HA 0.00 0.20 0.67 -0.75 4.39 4.50 1hi0P1 THR 99 HB -0.08 0.07 0.14 -0.04 4.32 4.41 1hi0P1 THR 99 HG23 0.00 -0.01 -0.30 -0.04 1.22 0.87 1hi0P1 TRP 100 H 0.30 0.46 0.21 -0.55 7.97 8.40 1hi0P1 TRP 100 HA 0.07 0.11 0.60 -0.75 4.62 4.65 1hi0P1 TRP 100 HB2 0.05 0.12 -0.16 -0.04 3.23 3.20 1hi0P1 TRP 100 HB3 0.05 0.03 -0.17 -0.04 3.23 3.10 1hi0P1 TRP 100 HD1 0.09 0.17 -0.02 -0.04 7.22 7.42 1hi0P1 TRP 100 HE1 0.10 0.01 -0.06 -0.04 10.20 10.21 1hi0P1 TRP 100 HE3 0.15 0.10 -0.06 -0.04 7.59 7.74 1hi0P1 TRP 100 HZ2 0.05 -0.10 0.03 -0.04 7.44 7.37 1hi0P1 TRP 100 HZ3 0.21 0.05 -0.07 -0.04 7.13 7.28 1hi0P1 TRP 100 HH2 0.01 0.08 -0.06 -0.04 7.19 7.18 1hi0P1 PRO 101 HA 0.03 -0.00 0.44 -0.51 4.44 4.39 1hi0P1 PRO 101 HB2 -0.00 0.12 -0.13 -0.04 2.28 2.21 1hi0P1 PRO 101 HB3 -0.03 0.00 -0.01 -0.04 2.02 1.94 1hi0P1 PRO 101 HG2 0.09 0.02 -0.01 -0.04 2.03 2.09 1hi0P1 PRO 101 HG3 -0.05 0.02 -0.05 -0.04 2.03 1.91 1hi0P1 PRO 101 HD2 0.03 0.03 0.15 -0.04 3.68 3.84 1hi0P1 PRO 101 HD3 -0.07 0.21 0.11 -0.04 3.65 3.85 1hi0P1 LEU 102 H 0.01 0.10 0.13 -0.55 8.37 8.07 1hi0P1 LEU 102 HA 0.06 0.03 0.52 -0.75 4.35 4.20 1hi0P1 LEU 102 HB2 -0.00 -0.04 0.14 -0.04 1.64 1.70 1hi0P1 LEU 102 HB3 0.00 0.06 -0.04 -0.04 1.64 1.62 1hi0P1 LEU 102 HG 0.07 -0.00 0.04 -0.04 1.64 1.71 1hi0P1 LEU 102 HD13 0.21 -0.02 -0.14 -0.04 0.93 0.94 1hi0P1 LEU 102 HD23 0.02 0.00 -0.05 -0.04 0.89 0.82 1hi0P1 ALA 103 H 0.02 0.59 0.30 -0.55 8.40 8.76 1hi0P1 ALA 103 HA 0.02 0.07 0.35 -0.75 4.34 4.02 1hi0P1 ALA 103 HB3 0.00 -0.01 0.10 -0.04 1.41 1.46 1hi0P1 SER 104 H 0.01 0.16 -0.04 -0.55 8.46 8.04 1hi0P1 SER 104 HA 0.01 0.24 0.83 -0.75 4.49 4.82 1hi0P1 SER 104 HB2 0.00 0.12 -0.05 -0.04 3.95 3.98 1hi0P1 SER 104 HB3 -0.00 -0.01 0.07 -0.04 3.93 3.95 1hi0P1 ASN 105 H 0.02 0.40 0.26 -0.55 8.53 8.67 1hi0P1 ASN 105 HA 0.01 0.13 0.88 -0.75 4.76 5.02 1hi0P1 ASN 105 HB2 -0.02 0.00 0.14 -0.04 2.88 2.97 1hi0P1 ASN 105 HB3 -0.01 0.10 -0.00 -0.04 2.79 2.83 1hi0P1 ASN 105 HD21 0.06 0.07 -0.27 -0.04 7.03 6.85 1hi0P1 ASN 105 HD22 0.04 0.56 -0.16 -0.04 7.74 8.14 1hi0P1 LEU 106 H 0.04 0.11 -0.04 -0.55 8.37 7.92 1hi0P1 LEU 106 HA 0.08 0.10 0.41 -0.75 4.35 4.18 1hi0P1 LEU 106 HB2 0.03 0.01 0.12 -0.04 1.64 1.76 1hi0P1 LEU 106 HB3 0.05 0.04 0.04 -0.04 1.64 1.73 1hi0P1 LEU 106 HG 0.04 -0.06 0.15 -0.04 1.64 1.73 1hi0P1 LEU 106 HD13 0.04 0.03 0.04 -0.04 0.93 1.00 1hi0P1 LEU 106 HD23 0.08 0.01 0.04 -0.04 0.89 0.98 1hi0P1 LYS 107 H 0.03 0.17 -0.10 -0.55 8.42 7.96 1hi0P1 LYS 107 HA 0.04 0.04 0.46 -0.75 4.32 4.10 1hi0P1 LYS 107 HB2 -0.00 -0.01 0.08 -0.04 1.87 1.90 1hi0P1 LYS 107 HB3 -0.00 0.18 0.15 -0.04 1.79 2.08 1hi0P1 LYS 107 HG2 0.00 0.04 -0.26 -0.04 1.46 1.21 1hi0P1 LYS 107 HG3 0.00 -0.07 -0.02 -0.04 1.46 1.34 1hi0P1 LYS 107 HD2 -0.04 -0.05 -0.06 -0.04 1.69 1.50 1hi0P1 LYS 107 HD3 -0.07 0.09 -0.17 -0.04 1.68 1.50 1hi0P1 LYS 107 HE2 -0.09 0.00 -0.28 -0.04 2.99 2.58 1hi0P1 LYS 107 HE3 -0.09 0.05 -0.26 -0.04 2.99 2.65 1hi0P1 LYS 108 H 0.04 0.13 -0.18 -0.55 8.42 7.86 1hi0P1 LYS 108 HA 0.08 0.01 0.31 -0.75 4.32 3.98 1hi0P1 LYS 108 HB2 0.02 -0.00 0.09 -0.04 1.87 1.94 1hi0P1 LYS 108 HB3 -0.00 0.11 0.13 -0.04 1.79 1.99 1hi0P1 LYS 108 HG2 -0.13 0.06 -0.31 -0.04 1.46 1.04 1hi0P1 LYS 108 HG3 -0.03 -0.05 -0.02 -0.04 1.46 1.31 1hi0P1 LYS 108 HD2 -0.18 -0.06 -0.05 -0.04 1.69 1.36 1hi0P1 LYS 108 HD3 -0.35 0.10 -0.09 -0.04 1.68 1.31 1hi0P1 LYS 108 HE2 -0.59 -0.07 -0.09 -0.04 2.99 2.19 1hi0P1 LYS 108 HE3 -2.15 0.05 -0.15 -0.04 2.99 0.70 1hi0P1 ARG 109 H 0.14 0.55 -0.33 -0.55 8.46 8.26 1hi0P1 ARG 109 HA 0.39 0.03 0.37 -0.75 4.34 4.37 1hi0P1 ARG 109 HB2 0.15 0.07 0.17 -0.04 1.90 2.25 1hi0P1 ARG 109 HB3 0.17 0.03 -0.08 -0.04 1.80 1.89 1hi0P1 ARG 109 HG2 0.38 -0.02 0.03 -0.04 1.67 2.02 1hi0P1 ARG 109 HG3 0.26 0.06 0.02 -0.04 1.67 1.96 1hi0P1 ARG 109 HD2 0.10 0.23 -0.06 -0.04 3.22 3.44 1hi0P1 ARG 109 HD3 0.14 -0.16 -0.04 -0.04 3.22 3.11 1hi0P1 ALA 110 H 0.10 0.51 0.04 -0.55 8.40 8.50 1hi0P1 ALA 110 HA 0.06 0.07 0.50 -0.75 4.34 4.22 1hi0P1 ALA 110 HB3 0.05 -0.02 0.15 -0.04 1.41 1.55 1hi0P1 ASP 111 H 0.07 0.74 0.03 -0.55 8.40 8.69 1hi0P1 ASP 111 HA 0.05 -0.02 0.36 -0.75 4.63 4.26 1hi0P1 ASP 111 HB2 0.08 0.12 0.03 -0.04 2.71 2.91 1hi0P1 ASP 111 HB3 0.06 -0.06 0.04 -0.04 2.70 2.70 1hi0P1 ALA 112 H 0.13 0.27 -0.74 -0.55 8.40 7.52 1hi0P1 ALA 112 HA 0.08 0.01 0.50 -0.75 4.34 4.18 1hi0P1 ALA 112 HB3 0.14 0.00 0.06 -0.04 1.41 1.58 1hi0P1 ASP 113 H 0.05 0.68 -0.45 -0.55 8.40 8.13 1hi0P1 ASP 113 HA 0.02 -0.00 0.34 -0.75 4.63 4.23 1hi0P1 ASP 113 HB2 0.02 0.10 -0.50 -0.04 2.71 2.29 1hi0P1 ASP 113 HB3 0.00 -0.07 0.31 -0.04 2.70 2.91 1hi0P1 LEU 114 H 0.05 0.40 0.06 -0.55 8.37 8.33 1hi0P1 LEU 114 HA -0.00 0.31 0.94 -0.75 4.35 4.84 1hi0P1 LEU 114 HB2 0.09 -0.10 -0.01 -0.04 1.64 1.57 1hi0P1 LEU 114 HB3 0.07 0.14 0.02 -0.04 1.64 1.83 1hi0P1 LEU 114 HG -0.03 0.00 -0.52 -0.04 1.64 1.05 1hi0P1 LEU 114 HD13 -0.31 -0.02 -0.09 -0.04 0.93 0.47 1hi0P1 LEU 114 HD23 -0.07 0.00 -0.57 -0.04 0.89 0.21 1hi0P1 ALA 115 H -0.00 0.63 0.25 -0.55 8.40 8.73 1hi0P1 ALA 115 HA -0.03 -0.00 0.37 -0.75 4.34 3.92 1hi0P1 ALA 115 HB3 -0.07 -0.00 0.04 -0.04 1.41 1.33 1hi0P1 ASP 116 H -0.12 0.12 0.10 -0.55 8.40 7.96 1hi0P1 ASP 116 HA 0.12 0.19 0.79 -0.75 4.63 4.97 1hi0P1 ASP 116 HB2 0.00 -0.05 0.20 -0.04 2.71 2.82 1hi0P1 ASP 116 HB3 0.02 0.08 0.06 -0.04 2.70 2.82 1hi0P1 GLY 117 H -0.80 0.31 -0.40 -0.55 8.43 7.00 1hi0P1 GLY 117 HA2 -2.74 -0.01 0.19 -0.51 4.01 0.94 1hi0P1 GLY 117 HA3 -0.83 0.13 0.37 -0.51 4.01 3.17 1hi0P1 PRO 118 HA 0.11 -0.00 0.34 -0.51 4.44 4.38 1hi0P1 PRO 118 HB2 -0.03 0.05 -0.08 -0.04 2.28 2.17 1hi0P1 PRO 118 HB3 0.16 -0.07 -0.13 -0.04 2.02 1.94 1hi0P1 PRO 118 HG2 -0.01 0.06 0.01 -0.04 2.03 2.04 1hi0P1 PRO 118 HG3 -0.04 0.06 -0.04 -0.04 2.03 1.97 1hi0P1 PRO 118 HD2 -0.33 0.14 0.10 -0.04 3.68 3.55 1hi0P1 PRO 118 HD3 -0.75 0.13 0.10 -0.04 3.65 3.08 1hi0P1 VAL 119 H 0.25 0.04 0.17 -0.55 8.24 8.14 1hi0P1 VAL 119 HA -0.07 0.26 0.70 -0.75 4.13 4.26 1hi0P1 VAL 119 HB -0.10 0.07 0.07 -0.04 2.12 2.12 1hi0P1 VAL 119 HG13 -0.14 0.01 0.08 -0.04 0.97 0.88 1hi0P1 VAL 119 HG23 -0.06 -0.01 -0.11 -0.04 0.95 0.73 1hi0P1 SER 120 H 0.06 -0.01 0.06 -0.55 8.46 8.03 1hi0P1 SER 120 HA -0.02 0.32 0.89 -0.75 4.49 4.93 1hi0P1 SER 120 HB2 -0.02 0.05 0.12 -0.04 3.95 4.05 1hi0P1 SER 120 HB3 -0.01 0.13 -0.05 -0.04 3.93 3.96 1hi0P1 GLU 121 H -0.02 0.25 0.12 -0.55 8.60 8.40 1hi0P1 GLU 121 HA -0.01 0.12 0.33 -0.75 4.29 3.98 1hi0P1 GLU 121 HB2 -0.02 0.07 0.10 -0.04 2.09 2.19 1hi0P1 GLU 121 HB3 -0.02 0.01 0.07 -0.04 1.99 2.01 1hi0P1 GLU 121 HG2 -0.02 0.06 -0.03 -0.04 2.34 2.31 1hi0P1 GLU 121 HG3 -0.02 -0.01 -0.22 -0.04 2.34 2.06 1hi0P1 ARG 122 H -0.02 0.08 -0.27 -0.55 8.46 7.69 1hi0P1 ARG 122 HA -0.05 0.15 0.32 -0.75 4.34 4.01 1hi0P1 ARG 122 HB2 -0.06 0.08 0.08 -0.04 1.90 1.96 1hi0P1 ARG 122 HB3 -0.04 -0.11 0.06 -0.04 1.80 1.66 1hi0P1 ARG 122 HG2 -0.10 -0.05 -0.26 -0.04 1.67 1.22 1hi0P1 ARG 122 HG3 -0.11 0.12 0.01 -0.04 1.67 1.65 1hi0P1 ARG 122 HD2 -0.14 0.02 -0.06 -0.04 3.22 2.99 1hi0P1 ARG 122 HD3 -0.11 0.04 0.00 -0.04 3.22 3.11 1hi0P1 ASP 123 H 0.00 0.06 -0.18 -0.55 8.40 7.73 1hi0P1 ASP 123 HA -0.14 0.07 0.34 -0.75 4.63 4.15 1hi0P1 ASP 123 HB2 0.14 -0.03 0.14 -0.04 2.71 2.93 1hi0P1 ASP 123 HB3 0.17 0.06 0.03 -0.04 2.70 2.91 1hi0P1 ASN 124 H 0.06 0.41 -0.33 -0.55 8.53 8.12 1hi0P1 ASN 124 HA 0.23 0.01 0.32 -0.75 4.76 4.57 1hi0P1 ASN 124 HB2 0.04 0.01 0.01 -0.04 2.88 2.89 1hi0P1 ASN 124 HB3 0.03 0.13 0.10 -0.04 2.79 3.01 1hi0P1 ASN 124 HD21 0.02 -0.00 -0.10 -0.04 7.03 6.91 1hi0P1 ASN 124 HD22 0.01 0.01 -0.08 -0.04 7.74 7.65 1hi0P1 LEU 125 H 0.01 0.55 -0.21 -0.55 8.37 8.18 1hi0P1 LEU 125 HA 0.02 0.00 0.35 -0.75 4.35 3.96 1hi0P1 LEU 125 HB2 -0.03 0.17 0.12 -0.04 1.64 1.86 1hi0P1 LEU 125 HB3 -0.02 -0.07 -0.16 -0.04 1.64 1.35 1hi0P1 LEU 125 HG -0.01 0.16 -0.04 -0.04 1.64 1.71 1hi0P1 LEU 125 HD13 -0.03 -0.00 -0.35 -0.04 0.93 0.52 1hi0P1 LEU 125 HD23 0.00 -0.03 -0.17 -0.04 0.89 0.65 1hi0P1 LEU 126 H -0.07 0.65 -0.07 -0.55 8.37 8.34 1hi0P1 LEU 126 HA -0.10 -0.00 0.37 -0.75 4.35 3.86 1hi0P1 LEU 126 HB2 -0.27 0.06 0.13 -0.04 1.64 1.52 1hi0P1 LEU 126 HB3 -0.25 -0.01 -0.03 -0.04 1.64 1.31 1hi0P1 LEU 126 HG -0.10 0.07 -0.03 -0.04 1.64 1.53 1hi0P1 LEU 126 HD13 -0.14 -0.02 -0.14 -0.04 0.93 0.59 1hi0P1 LEU 126 HD23 -0.06 -0.00 -0.05 -0.04 0.89 0.74 1hi0P1 PHE 127 H -0.06 0.64 -0.07 -0.55 8.34 8.30 1hi0P1 PHE 127 HA 0.04 0.05 0.40 -0.75 4.62 4.35 1hi0P1 PHE 127 HB2 0.05 0.10 0.11 -0.04 3.15 3.36 1hi0P1 PHE 127 HB3 0.05 -0.02 -0.07 -0.04 3.06 2.99 1hi0P1 PHE 127 HD2 0.02 0.04 -0.10 -0.04 7.28 7.20 1hi0P1 PHE 127 HE2 -0.22 0.01 -0.03 -0.04 7.38 7.09 1hi0P1 PHE 127 HZ -0.68 -0.01 -0.08 -0.04 7.32 6.50 1hi0P1 ARG 128 H 0.15 0.53 -0.19 -0.55 8.46 8.40 1hi0P1 ARG 128 HA 0.08 0.02 0.41 -0.75 4.34 4.09 1hi0P1 ARG 128 HB2 0.06 0.12 0.15 -0.04 1.90 2.18 1hi0P1 ARG 128 HB3 0.04 -0.06 0.02 -0.04 1.80 1.76 1hi0P1 ARG 128 HG2 0.05 -0.02 0.02 -0.04 1.67 1.67 1hi0P1 ARG 128 HG3 0.10 -0.02 0.01 -0.04 1.67 1.72 1hi0P1 ARG 128 HD2 0.05 0.03 -0.12 -0.04 3.22 3.14 1hi0P1 ARG 128 HD3 0.03 -0.04 -0.03 -0.04 3.22 3.14 1hi0P1 ALA 129 H 0.02 0.49 -0.31 -0.55 8.40 8.05 1hi0P1 ALA 129 HA 0.00 -0.02 0.48 -0.75 4.34 4.05 1hi0P1 ALA 129 HB3 -0.08 0.02 0.00 -0.04 1.41 1.31 1hi0P1 ALA 130 H 0.01 0.67 -0.07 -0.55 8.40 8.46 1hi0P1 ALA 130 HA 0.04 -0.02 0.30 -0.75 4.34 3.90 1hi0P1 ALA 130 HB3 0.29 0.04 0.11 -0.04 1.41 1.81 1hi0P1 VAL 131 H 0.13 0.43 -0.29 -0.55 8.24 7.96 1hi0P1 VAL 131 HA 0.22 -0.00 0.35 -0.75 4.13 3.94 1hi0P1 VAL 131 HB 0.02 0.10 0.09 -0.04 2.12 2.29 1hi0P1 VAL 131 HG13 -0.29 0.00 -0.18 -0.04 0.97 0.47 1hi0P1 VAL 131 HG23 0.02 0.03 -0.01 -0.04 0.95 0.94 1hi0P1 ARG 132 H 0.08 0.47 -0.16 -0.55 8.46 8.30 1hi0P1 ARG 132 HA 0.11 0.04 0.30 -0.75 4.34 4.02 1hi0P1 ARG 132 HB2 0.06 0.02 0.18 -0.04 1.90 2.12 1hi0P1 ARG 132 HB3 0.07 -0.06 0.01 -0.04 1.80 1.78 1hi0P1 ARG 132 HG2 0.04 0.00 0.01 -0.04 1.67 1.68 1hi0P1 ARG 132 HG3 0.04 0.32 0.13 -0.04 1.67 2.11 1hi0P1 ARG 132 HD2 0.03 -0.06 -0.03 -0.04 3.22 3.11 1hi0P1 ARG 132 HD3 0.03 -0.07 -0.02 -0.04 3.22 3.12 1hi0P1 LEU 133 H 0.13 0.68 -0.08 -0.55 8.37 8.55 1hi0P1 LEU 133 HA 0.21 -0.01 0.39 -0.75 4.35 4.18 1hi0P1 LEU 133 HB2 0.28 0.07 0.04 -0.04 1.64 1.99 1hi0P1 LEU 133 HB3 0.35 -0.03 -0.05 -0.04 1.64 1.87 1hi0P1 LEU 133 HG -0.04 0.05 -0.02 -0.04 1.64 1.60 1hi0P1 LEU 133 HD13 -0.34 0.00 -0.11 -0.04 0.93 0.44 1hi0P1 LEU 133 HD23 0.15 -0.01 -0.04 -0.04 0.89 0.95 1hi0P1 MET 134 H 0.32 0.51 -0.23 -0.55 8.47 8.53 1hi0P1 MET 134 HA 0.15 0.03 0.49 -0.75 4.52 4.44 1hi0P1 MET 134 HB2 0.41 0.10 0.12 -0.04 2.15 2.73 1hi0P1 MET 134 HB3 -0.10 -0.09 -0.05 -0.04 2.03 1.75 1hi0P1 MET 134 HG2 -0.03 -0.06 -0.03 -0.04 2.63 2.48 1hi0P1 MET 134 HG3 0.43 0.16 0.04 -0.04 2.56 3.15 1hi0P1 MET 134 HE3 -0.48 -0.02 -0.09 -0.04 2.10 1.47 1hi0P1 PHE 135 H 0.42 0.65 -0.05 -0.55 8.34 8.81 1hi0P1 PHE 135 HA 0.02 0.15 0.76 -0.75 4.62 4.79 1hi0P1 PHE 135 HB2 -0.09 0.10 0.05 -0.04 3.15 3.17 1hi0P1 PHE 135 HB3 -0.10 -0.02 0.17 -0.04 3.06 3.06 1hi0P1 PHE 135 HD2 -0.21 0.09 -0.01 -0.04 7.28 7.10 1hi0P1 PHE 135 HE2 -0.08 -0.04 -0.11 -0.04 7.38 7.11 1hi0P1 PHE 135 HZ -0.05 -0.08 -0.12 -0.04 7.32 7.04 1hi0P1 SER 136 H 0.13 0.21 -0.56 -0.55 8.46 7.69 1hi0P1 SER 136 HA 0.14 0.24 0.89 -0.75 4.49 5.00 1hi0P1 SER 136 HB2 0.08 -0.10 0.04 -0.04 3.95 3.93 1hi0P1 SER 136 HB3 0.12 0.06 0.04 -0.04 3.93 4.10 1hi0P1 ASP 137 H 0.05 0.16 0.04 -0.55 8.40 8.10 1hi0P1 ASP 137 HA -0.01 0.18 0.83 -0.75 4.63 4.89 1hi0P1 ASP 137 HB2 0.01 -0.02 0.22 -0.04 2.71 2.88 1hi0P1 ASP 137 HB3 -0.00 0.01 0.07 -0.04 2.70 2.74 1hi0P1 LEU 138 H -0.03 0.37 0.03 -0.55 8.37 8.19 1hi0P1 LEU 138 HA -0.04 0.10 0.70 -0.75 4.35 4.36 1hi0P1 LEU 138 HB2 -0.06 0.02 -0.04 -0.04 1.64 1.52 1hi0P1 LEU 138 HB3 -0.06 -0.02 -0.13 -0.04 1.64 1.38 1hi0P1 LEU 138 HG -0.01 0.06 -0.56 -0.04 1.64 1.10 1hi0P1 LEU 138 HD13 -0.07 -0.01 -0.11 -0.04 0.93 0.70 1hi0P1 LEU 138 HD23 -0.09 0.06 -0.37 -0.04 0.89 0.45 1hi0P1 GLU 139 H -0.03 0.16 0.16 -0.55 8.60 8.34 1hi0P1 GLU 139 HA -0.03 0.18 0.77 -0.75 4.29 4.46 1hi0P1 GLU 139 HB2 -0.02 -0.04 0.10 -0.04 2.09 2.09 1hi0P1 GLU 139 HB3 -0.02 0.04 0.02 -0.04 1.99 1.98 1hi0P1 GLU 139 HG2 -0.03 0.02 -0.09 -0.04 2.34 2.20 1hi0P1 GLU 139 HG3 -0.02 -0.03 0.01 -0.04 2.34 2.25 1hi0P1 PRO 140 HA 0.01 0.08 0.39 -0.51 4.44 4.41 1hi0P1 PRO 140 HB2 0.01 -0.05 0.02 -0.04 2.28 2.23 1hi0P1 PRO 140 HB3 0.03 -0.00 0.06 -0.04 2.02 2.06 1hi0P1 PRO 140 HG2 -0.01 0.01 0.11 -0.04 2.03 2.10 1hi0P1 PRO 140 HG3 -0.02 0.12 0.07 -0.04 2.03 2.16 1hi0P1 PRO 140 HD2 -0.01 0.03 0.19 -0.04 3.68 3.85 1hi0P1 PRO 140 HD3 -0.02 0.25 0.30 -0.04 3.65 4.14 1hi0P1 VAL 141 H 0.04 0.27 0.20 -0.55 8.24 8.20 1hi0P1 VAL 141 HA 0.01 0.11 0.74 -0.75 4.13 4.24 1hi0P1 VAL 141 HB 0.01 0.01 0.06 -0.04 2.12 2.16 1hi0P1 VAL 141 HG13 -0.00 0.03 -0.20 -0.04 0.97 0.76 1hi0P1 VAL 141 HG23 0.03 0.01 -0.08 -0.04 0.95 0.86 1hi0P1 PRO 142 HA 0.04 0.07 0.47 -0.51 4.44 4.51 1hi0P1 PRO 142 HB2 0.03 -0.07 -0.04 -0.04 2.28 2.16 1hi0P1 PRO 142 HB3 0.02 -0.05 0.11 -0.04 2.02 2.07 1hi0P1 PRO 142 HG2 0.02 0.03 0.02 -0.04 2.03 2.06 1hi0P1 PRO 142 HG3 0.00 0.02 0.05 -0.04 2.03 2.05 1hi0P1 PRO 142 HD2 0.01 0.14 0.22 -0.04 3.68 4.01 1hi0P1 PRO 142 HD3 0.01 0.08 0.17 -0.04 3.65 3.87 1hi0P1 LEU 143 H 0.06 0.09 0.15 -0.55 8.37 8.13 1hi0P1 LEU 143 HA 0.08 0.19 0.62 -0.75 4.35 4.48 1hi0P1 LEU 143 HB2 0.05 0.01 0.10 -0.04 1.64 1.75 1hi0P1 LEU 143 HB3 0.06 -0.11 0.19 -0.04 1.64 1.74 1hi0P1 LEU 143 HG 0.05 0.03 -0.08 -0.04 1.64 1.60 1hi0P1 LEU 143 HD13 -0.03 -0.02 -0.05 -0.04 0.93 0.79 1hi0P1 LEU 143 HD23 0.12 -0.00 -0.23 -0.04 0.89 0.73 1hi0P1 LYS 144 H 0.09 0.23 0.06 -0.55 8.42 8.25 1hi0P1 LYS 144 HA 0.11 0.04 0.29 -0.75 4.32 4.00 1hi0P1 LYS 144 HB2 0.14 0.02 -0.03 -0.04 1.87 1.96 1hi0P1 LYS 144 HB3 0.15 -0.01 -0.13 -0.04 1.79 1.76 1hi0P1 LYS 144 HG2 0.09 0.10 -0.08 -0.04 1.46 1.52 1hi0P1 LYS 144 HG3 0.19 0.00 -0.09 -0.04 1.46 1.52 1hi0P1 LYS 144 HD2 0.12 0.01 -0.29 -0.04 1.69 1.48 1hi0P1 LYS 144 HD3 0.07 -0.11 -0.33 -0.04 1.68 1.27 1hi0P1 LYS 144 HE2 0.02 0.05 -0.10 -0.04 2.99 2.92 1hi0P1 LYS 144 HE3 0.06 0.02 -0.12 -0.04 2.99 2.91 1hi0P1 ILE 145 H 0.11 0.30 0.23 -0.55 8.25 8.34 1hi0P1 ILE 145 HA 0.09 0.14 0.90 -0.75 4.18 4.56 1hi0P1 ILE 145 HB 0.09 0.03 0.09 -0.04 1.89 2.05 1hi0P1 ILE 145 HG12 0.27 0.04 -0.19 -0.04 1.49 1.57 1hi0P1 ILE 145 HG13 0.16 0.06 -0.45 -0.04 1.21 0.95 1hi0P1 ILE 145 HG23 -0.08 0.04 -0.12 -0.04 0.93 0.73 1hi0P1 ILE 145 HD13 0.19 -0.04 -0.16 -0.04 0.88 0.83 1hi0P1 ARG 146 H 0.00 0.12 0.10 -0.55 8.46 8.13 1hi0P1 ARG 146 HA -0.02 0.17 0.55 -0.75 4.34 4.29 1hi0P1 ARG 146 HB2 -0.00 -0.02 0.06 -0.04 1.90 1.89 1hi0P1 ARG 146 HB3 -0.04 -0.09 0.07 -0.04 1.80 1.70 1hi0P1 ARG 146 HG2 -0.03 -0.06 -0.08 -0.04 1.67 1.46 1hi0P1 ARG 146 HG3 -0.05 0.23 -0.21 -0.04 1.67 1.60 1hi0P1 ARG 146 HD2 -0.04 -0.06 0.02 -0.04 3.22 3.10 1hi0P1 ARG 146 HD3 -0.03 -0.05 -0.05 -0.04 3.22 3.05 1hi0P1 LYS 147 H -0.02 0.64 0.35 -0.55 8.42 8.83 1hi0P1 LYS 147 HA -0.02 -0.08 0.58 -0.75 4.32 4.04 1hi0P1 LYS 147 HB2 -0.01 0.26 0.17 -0.04 1.87 2.25 1hi0P1 LYS 147 HB3 -0.00 -0.14 -0.07 -0.04 1.79 1.53 1hi0P1 LYS 147 HG2 0.04 -0.19 -0.06 -0.04 1.46 1.20 1hi0P1 LYS 147 HG3 0.04 0.08 -0.22 -0.04 1.46 1.31 1hi0P1 LYS 147 HD2 0.04 0.37 -0.02 -0.04 1.69 2.04 1hi0P1 LYS 147 HD3 0.05 -0.20 -0.05 -0.04 1.68 1.45 1hi0P1 LYS 147 HE2 0.12 -0.22 -0.10 -0.04 2.99 2.75 1hi0P1 LYS 147 HE3 0.09 0.13 -0.40 -0.04 2.99 2.77 1hi0P1 GLY 148 H -0.05 0.08 0.22 -0.55 8.43 8.14 1hi0P1 GLY 148 HA2 -0.05 -0.04 0.39 -0.51 4.01 3.80 1hi0P1 GLY 148 HA3 -0.05 0.13 0.49 -0.51 4.01 4.07 1hi0P1 SER 149 H -0.08 0.21 -0.31 -0.55 8.46 7.73 1hi0P1 SER 149 HA -0.06 0.09 0.55 -0.75 4.49 4.32 1hi0P1 SER 149 HB2 -0.10 -0.00 0.01 -0.04 3.95 3.81 1hi0P1 SER 149 HB3 -0.07 0.01 -0.08 -0.04 3.93 3.75 1hi0P1 SER 150 H -0.06 0.12 0.11 -0.55 8.46 8.09 1hi0P1 SER 150 HA -0.08 0.37 0.72 -0.75 4.49 4.74 1hi0P1 SER 150 HB2 0.02 0.07 -0.02 -0.04 3.95 3.98 1hi0P1 SER 150 HB3 -0.02 0.03 0.08 -0.04 3.93 3.98 1hi0P1 THR 151 H -0.14 0.34 0.22 -0.55 8.28 8.16 1hi0P1 THR 151 HA -0.29 0.16 0.53 -0.75 4.39 4.04 1hi0P1 THR 151 HB 0.07 -0.01 0.15 -0.04 4.32 4.49 1hi0P1 THR 151 HG23 -0.18 0.07 -0.02 -0.04 1.22 1.04 1hi0P1 CYS 152 H -0.34 -0.08 -0.26 -0.55 8.50 7.27 1hi0P1 CYS 152 HA -1.63 0.02 0.21 -0.75 4.58 2.43 1hi0P1 CYS 152 HB2 -0.26 0.41 -0.19 -0.04 2.97 2.89 1hi0P1 CYS 152 HB3 -0.38 -0.11 0.10 -0.04 2.97 2.54 1hi0P1 ILE 153 H -0.60 0.17 0.10 -0.55 8.25 7.37 1hi0P1 ILE 153 HA -0.35 0.06 0.36 -0.75 4.18 3.49 1hi0P1 ILE 153 HB -0.21 0.08 0.23 -0.04 1.89 1.94 1hi0P1 ILE 153 HG12 -0.22 0.19 0.08 -0.04 1.49 1.50 1hi0P1 ILE 153 HG13 -0.04 -0.13 0.06 -0.04 1.21 1.06 1hi0P1 ILE 153 HG23 -0.14 0.07 -0.02 -0.04 0.93 0.79 1hi0P1 ILE 153 HD13 -0.15 0.03 -0.11 -0.04 0.88 0.60 1hi0P1 PRO 154 HA -0.13 0.33 0.47 -0.51 4.44 4.59 1hi0P1 PRO 154 HB2 -0.23 -0.10 -0.14 -0.04 2.28 1.76 1hi0P1 PRO 154 HB3 -0.11 0.16 -0.05 -0.04 2.02 1.98 1hi0P1 PRO 154 HG2 -1.44 -0.08 0.05 -0.04 2.03 0.52 1hi0P1 PRO 154 HG3 -0.63 0.09 0.03 -0.04 2.03 1.49 1hi0P1 PRO 154 HD2 -0.47 -0.00 0.48 -0.04 3.68 3.65 1hi0P1 PRO 154 HD3 -0.22 0.19 0.09 -0.04 3.65 3.68 1hi0P1 TYR 155 H -0.39 0.24 0.07 -0.55 8.29 7.66 1hi0P1 TYR 155 HA 0.10 0.08 0.59 -0.75 4.56 4.57 1hi0P1 TYR 155 HB2 -0.03 -0.02 0.06 -0.04 3.06 3.03 1hi0P1 TYR 155 HB3 0.01 -0.07 -0.03 -0.04 2.98 2.85 1hi0P1 TYR 155 HD2 0.00 -0.02 -0.03 -0.04 7.15 7.06 1hi0P1 TYR 155 HE2 -0.03 0.03 -0.03 -0.04 6.85 6.78 1hi0P1 PHE 156 H -0.21 0.57 -0.08 -0.55 8.34 8.08 1hi0P1 PHE 156 HA -0.04 -0.15 0.29 -0.75 4.62 3.97 1hi0P1 PHE 156 HB2 0.01 0.15 -0.42 -0.04 3.15 2.84 1hi0P1 PHE 156 HB3 -0.05 -0.01 0.05 -0.04 3.06 3.00 1hi0P1 PHE 156 HD2 -0.09 0.06 -0.27 -0.04 7.28 6.94 1hi0P1 PHE 156 HE2 -0.57 0.13 -0.07 -0.04 7.38 6.83 1hi0P1 PHE 156 HZ -0.44 0.06 -0.07 -0.04 7.32 6.83 1hi0P1 SER 157 H 0.04 0.03 -0.08 -0.55 8.46 7.91 1hi0P1 SER 157 HA 0.04 0.17 0.68 -0.75 4.49 4.62 1hi0P1 SER 157 HB2 0.02 0.07 -0.03 -0.04 3.95 3.98 1hi0P1 SER 157 HB3 0.02 0.03 0.01 -0.04 3.93 3.95 1hi0P1 ASN 158 H -0.02 -0.03 0.20 -0.55 8.53 8.14 1hi0P1 ASN 158 HA -0.06 0.48 0.77 -0.75 4.76 5.19 1hi0P1 ASN 158 HB2 -0.02 -0.07 -0.01 -0.04 2.88 2.73 1hi0P1 ASN 158 HB3 -0.03 0.02 0.03 -0.04 2.79 2.77 1hi0P1 ASN 158 HD21 -0.01 -0.03 -0.23 -0.04 7.03 6.72 1hi0P1 ASN 158 HD22 -0.03 0.16 -0.28 -0.04 7.74 7.55 1hi0P1 ASP 159 H -0.03 -0.09 0.15 -0.55 8.40 7.87 1hi0P1 ASP 159 HA -0.04 0.14 0.55 -0.75 4.63 4.52 1hi0P1 ASP 159 HB2 -0.03 0.11 0.17 -0.04 2.71 2.92 1hi0P1 ASP 159 HB3 -0.04 -0.04 0.21 -0.04 2.70 2.79 1hi0P1 MET 160 H -0.06 0.24 0.26 -0.55 8.47 8.37 1hi0P1 MET 160 HA -0.08 0.15 0.31 -0.75 4.52 4.14 1hi0P1 MET 160 HB2 -0.07 0.09 0.15 -0.04 2.15 2.28 1hi0P1 MET 160 HB3 -0.12 -0.04 0.10 -0.04 2.03 1.93 1hi0P1 MET 160 HG2 -0.28 0.08 -0.03 -0.04 2.63 2.37 1hi0P1 MET 160 HG3 -0.34 -0.05 -0.14 -0.04 2.56 1.99 1hi0P1 MET 160 HE3 0.03 0.04 -0.16 -0.04 2.10 1.97 1hi0P1 GLY 161 H -0.07 0.05 -0.24 -0.55 8.43 7.62 1hi0P1 GLY 161 HA2 -0.08 0.12 0.35 -0.51 4.01 3.89 1hi0P1 GLY 161 HA3 -0.05 0.05 0.26 -0.51 4.01 3.76 1hi0P1 THR 162 H -0.04 0.05 -0.19 -0.55 8.28 7.54 1hi0P1 THR 162 HA -0.03 0.06 0.38 -0.75 4.39 4.04 1hi0P1 THR 162 HB -0.04 0.05 0.05 -0.04 4.32 4.35 1hi0P1 THR 162 HG23 -0.07 0.01 -0.06 -0.04 1.22 1.06 1hi0P1 LYS 163 H -0.04 0.61 -0.20 -0.55 8.42 8.24 1hi0P1 LYS 163 HA 0.06 -0.01 0.31 -0.75 4.32 3.93 1hi0P1 LYS 163 HB2 -0.05 0.08 0.06 -0.04 1.87 1.91 1hi0P1 LYS 163 HB3 -0.14 0.03 -0.06 -0.04 1.79 1.58 1hi0P1 LYS 163 HG2 -0.10 -0.18 -0.21 -0.04 1.46 0.93 1hi0P1 LYS 163 HG3 -0.10 -0.00 -0.51 -0.04 1.46 0.81 1hi0P1 LYS 163 HD2 -0.48 -0.05 -0.16 -0.04 1.69 0.96 1hi0P1 LYS 163 HD3 -0.21 0.18 -0.16 -0.04 1.68 1.45 1hi0P1 LYS 163 HE2 -0.16 -0.04 -0.10 -0.04 2.99 2.65 1hi0P1 LYS 163 HE3 -0.22 0.05 -0.06 -0.04 2.99 2.72 1hi0P1 ILE 164 H -0.01 0.68 -0.14 -0.55 8.25 8.23 1hi0P1 ILE 164 HA 0.09 0.02 0.26 -0.75 4.18 3.79 1hi0P1 ILE 164 HB -0.02 0.10 0.13 -0.04 1.89 2.06 1hi0P1 ILE 164 HG12 -0.09 0.45 0.12 -0.04 1.49 1.93 1hi0P1 ILE 164 HG13 -0.14 -0.09 -0.01 -0.04 1.21 0.93 1hi0P1 ILE 164 HG23 0.04 -0.03 -0.08 -0.04 0.93 0.82 1hi0P1 ILE 164 HD13 0.05 0.00 -0.09 -0.04 0.88 0.80 1hi0P1 GLU 165 H 0.01 0.44 -0.16 -0.55 8.60 8.34 1hi0P1 GLU 165 HA 0.01 -0.02 0.43 -0.75 4.29 3.95 1hi0P1 GLU 165 HB2 -0.01 0.08 0.20 -0.04 2.09 2.32 1hi0P1 GLU 165 HB3 -0.01 -0.02 0.02 -0.04 1.99 1.94 1hi0P1 GLU 165 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 1hi0P1 GLU 165 HG3 -0.01 0.19 0.10 -0.04 2.34 2.58 1hi0P1 ILE 166 H 0.06 0.70 -0.02 -0.55 8.25 8.43 1hi0P1 ILE 166 HA 0.06 -0.02 0.36 -0.75 4.18 3.83 1hi0P1 ILE 166 HB 0.21 0.17 0.22 -0.04 1.89 2.45 1hi0P1 ILE 166 HG12 0.17 0.01 0.04 -0.04 1.49 1.67 1hi0P1 ILE 166 HG13 0.06 0.00 0.05 -0.04 1.21 1.28 1hi0P1 ILE 166 HG23 0.25 -0.01 -0.17 -0.04 0.93 0.96 1hi0P1 ILE 166 HD13 0.20 -0.04 -0.06 -0.04 0.88 0.95 1hi0P1 ALA 167 H 0.14 0.65 -0.15 -0.55 8.40 8.49 1hi0P1 ALA 167 HA -0.22 0.02 0.42 -0.75 4.34 3.81 1hi0P1 ALA 167 HB3 0.05 0.01 0.05 -0.04 1.41 1.48 1hi0P1 GLU 168 H 0.01 0.72 0.09 -0.55 8.60 8.87 1hi0P1 GLU 168 HA -0.03 -0.05 0.39 -0.75 4.29 3.85 1hi0P1 GLU 168 HB2 0.01 0.11 0.20 -0.04 2.09 2.36 1hi0P1 GLU 168 HB3 0.01 -0.07 0.05 -0.04 1.99 1.94 1hi0P1 GLU 168 HG2 0.02 -0.11 0.07 -0.04 2.34 2.28 1hi0P1 GLU 168 HG3 0.03 0.26 0.14 -0.04 2.34 2.73 1hi0P1 ARG 169 H -0.00 0.76 -0.17 -0.55 8.46 8.50 1hi0P1 ARG 169 HA -0.00 -0.04 0.40 -0.75 4.34 3.94 1hi0P1 ARG 169 HB2 0.01 -0.05 0.07 -0.04 1.90 1.88 1hi0P1 ARG 169 HB3 0.01 0.19 0.16 -0.04 1.80 2.12 1hi0P1 ARG 169 HG2 0.04 -0.01 -0.02 -0.04 1.67 1.65 1hi0P1 ARG 169 HG3 0.05 0.02 -0.20 -0.04 1.67 1.49 1hi0P1 ARG 169 HD2 0.02 -0.05 0.08 -0.04 3.22 3.23 1hi0P1 ARG 169 HD3 0.02 -0.04 0.02 -0.04 3.22 3.17 1hi0P1 ALA 170 H -0.05 0.60 -0.01 -0.55 8.40 8.39 1hi0P1 ALA 170 HA -0.05 -0.00 0.44 -0.75 4.34 3.97 1hi0P1 ALA 170 HB3 -0.15 0.05 0.25 -0.04 1.41 1.52 1hi0P1 LEU 171 H -0.16 0.62 -0.01 -0.55 8.37 8.28 1hi0P1 LEU 171 HA -0.42 -0.03 0.36 -0.75 4.35 3.51 1hi0P1 LEU 171 HB2 -0.10 0.09 0.08 -0.04 1.64 1.67 1hi0P1 LEU 171 HB3 -0.15 -0.02 0.07 -0.04 1.64 1.50 1hi0P1 LEU 171 HG -0.24 0.09 -0.08 -0.04 1.64 1.37 1hi0P1 LEU 171 HD13 -0.12 -0.03 -0.08 -0.04 0.93 0.66 1hi0P1 LEU 171 HD23 -1.14 -0.00 -0.10 -0.04 0.89 -0.39 1hi0P1 GLU 172 H -0.03 0.41 -0.52 -0.55 8.60 7.91 1hi0P1 GLU 172 HA 0.03 0.05 0.69 -0.75 4.29 4.32 1hi0P1 GLU 172 HB2 -0.01 0.16 0.25 -0.04 2.09 2.45 1hi0P1 GLU 172 HB3 -0.01 -0.08 0.02 -0.04 1.99 1.88 1hi0P1 GLU 172 HG2 0.01 -0.06 0.06 -0.04 2.34 2.31 1hi0P1 GLU 172 HG3 0.02 -0.00 0.01 -0.04 2.34 2.33 1hi0P1 LYS 173 H -0.06 0.65 0.18 -0.55 8.42 8.64 1hi0P1 LYS 173 HA -0.19 0.10 0.97 -0.75 4.32 4.43 1hi0P1 LYS 173 HB2 -0.13 0.13 0.08 -0.04 1.87 1.90 1hi0P1 LYS 173 HB3 -0.68 -0.09 0.13 -0.04 1.79 1.11 1hi0P1 LYS 173 HG2 -0.02 -0.03 -0.17 -0.04 1.46 1.19 1hi0P1 LYS 173 HG3 0.10 0.02 -0.00 -0.04 1.46 1.53 1hi0P1 LYS 173 HD2 0.11 -0.02 0.01 -0.04 1.69 1.75 1hi0P1 LYS 173 HD3 -0.08 0.00 0.01 -0.04 1.68 1.57 1hi0P1 LYS 173 HE2 0.00 0.00 -0.04 -0.04 2.99 2.91 1hi0P1 LYS 173 HE3 0.06 0.00 -0.02 -0.04 2.99 3.00 1hi0P1 ALA 174 H -0.04 0.57 -0.07 -0.55 8.40 8.32 1hi0P1 ALA 174 HA -0.00 0.04 0.40 -0.75 4.34 4.02 1hi0P1 ALA 174 HB3 0.36 0.02 0.02 -0.04 1.41 1.78 1hi0P1 GLU 175 H -0.40 0.26 -0.22 -0.55 8.60 7.69 1hi0P1 GLU 175 HA -1.68 0.00 0.33 -0.75 4.29 2.19 1hi0P1 GLU 175 HB2 -1.74 0.10 0.08 -0.04 2.09 0.49 1hi0P1 GLU 175 HB3 -0.68 0.04 0.08 -0.04 1.99 1.39 1hi0P1 GLU 175 HG2 -0.69 -0.02 -0.25 -0.04 2.34 1.34 1hi0P1 GLU 175 HG3 -2.19 -0.09 0.01 -0.04 2.34 0.04 1hi0P1 GLU 176 H -0.35 0.19 -0.22 -0.55 8.60 7.67 1hi0P1 GLU 176 HA -0.19 0.00 0.38 -0.75 4.29 3.73 1hi0P1 GLU 176 HB2 -0.18 -0.01 0.12 -0.04 2.09 1.97 1hi0P1 GLU 176 HB3 -0.31 0.16 0.10 -0.04 1.99 1.90 1hi0P1 GLU 176 HG2 -0.02 -0.01 -0.08 -0.04 2.34 2.19 1hi0P1 GLU 176 HG3 -0.06 -0.04 0.05 -0.04 2.34 2.25 1hi0P1 ALA 177 H -0.25 0.51 -0.34 -0.55 8.40 7.78 1hi0P1 ALA 177 HA 0.01 0.00 0.48 -0.75 4.34 4.08 1hi0P1 ALA 177 HB3 -0.07 0.05 0.09 -0.04 1.41 1.44 1hi0P1 GLY 178 H 0.08 0.73 0.05 -0.55 8.43 8.74 1hi0P1 GLY 178 HA2 0.14 0.03 0.40 -0.51 4.01 4.07 1hi0P1 GLY 178 HA3 0.34 0.08 0.33 -0.51 4.01 4.25 1hi0P1 ASN 179 H 0.04 0.59 -0.13 -0.55 8.53 8.49 1hi0P1 ASN 179 HA 0.10 -0.01 0.41 -0.75 4.76 4.50 1hi0P1 ASN 179 HB2 -0.03 0.13 0.11 -0.04 2.88 3.04 1hi0P1 ASN 179 HB3 0.01 -0.03 0.02 -0.04 2.79 2.75 1hi0P1 ASN 179 HD21 -0.16 -0.04 -0.03 -0.04 7.03 6.77 1hi0P1 ASN 179 HD22 -0.15 -0.00 -0.07 -0.04 7.74 7.47 1hi0P1 LEU 180 H -0.01 0.40 -0.40 -0.55 8.37 7.82 1hi0P1 LEU 180 HA -0.04 -0.03 0.39 -0.75 4.35 3.92 1hi0P1 LEU 180 HB2 0.01 0.32 0.29 -0.04 1.64 2.21 1hi0P1 LEU 180 HB3 -0.03 -0.02 -0.01 -0.04 1.64 1.54 1hi0P1 LEU 180 HG 0.01 0.08 0.08 -0.04 1.64 1.77 1hi0P1 LEU 180 HD13 0.09 -0.03 -0.12 -0.04 0.93 0.82 1hi0P1 LEU 180 HD23 -0.01 -0.04 0.04 -0.04 0.89 0.84 1hi0P1 MET 181 H -0.05 0.48 -0.24 -0.55 8.47 8.12 1hi0P1 MET 181 HA -0.71 -0.07 0.29 -0.75 4.52 3.27 1hi0P1 MET 181 HB2 0.01 0.14 0.10 -0.04 2.15 2.36 1hi0P1 MET 181 HB3 -0.06 -0.02 -0.05 -0.04 2.03 1.86 1hi0P1 MET 181 HG2 -0.05 -0.08 -0.06 -0.04 2.63 2.40 1hi0P1 MET 181 HG3 0.02 0.15 -0.05 -0.04 2.56 2.65 1hi0P1 MET 181 HE3 0.10 0.01 -0.17 -0.04 2.10 2.00 1hi0P1 LEU 182 H -0.02 0.52 -0.12 -0.55 8.37 8.21 1hi0P1 LEU 182 HA 0.01 0.04 0.44 -0.75 4.35 4.08 1hi0P1 LEU 182 HB2 0.04 0.13 0.16 -0.04 1.64 1.92 1hi0P1 LEU 182 HB3 0.04 -0.05 0.03 -0.04 1.64 1.62 1hi0P1 LEU 182 HG 0.10 0.21 -0.04 -0.04 1.64 1.87 1hi0P1 LEU 182 HD13 0.15 -0.05 -0.18 -0.04 0.93 0.81 1hi0P1 LEU 182 HD23 0.08 0.01 -0.05 -0.04 0.89 0.88 1hi0P1 GLN 183 H -0.07 0.43 -0.35 -0.55 8.47 7.93 1hi0P1 GLN 183 HA -0.03 0.07 0.50 -0.75 4.36 4.15 1hi0P1 GLN 183 HB2 -0.06 0.09 0.10 -0.04 2.15 2.24 1hi0P1 GLN 183 HB3 -0.03 -0.07 0.17 -0.04 2.02 2.05 1hi0P1 GLN 183 HG2 -0.01 -0.05 0.01 -0.04 2.40 2.31 1hi0P1 GLN 183 HG3 -0.02 0.26 0.06 -0.04 2.39 2.65 1hi0P1 GLN 183 HE21 -0.01 -0.06 -0.05 -0.04 6.97 6.81 1hi0P1 GLN 183 HE22 -0.01 0.08 -0.29 -0.04 7.69 7.42 1hi0P1 GLY 184 H -0.22 0.48 -0.99 -0.55 8.43 7.16 1hi0P1 GLY 184 HA2 -0.38 0.10 0.33 -0.51 4.01 3.56 1hi0P1 GLY 184 HA3 -0.05 0.00 0.39 -0.51 4.01 3.85 1hi0P1 LYS 185 H -0.27 0.59 -0.25 -0.55 8.42 7.94 1hi0P1 LYS 185 HA -0.05 0.09 0.73 -0.75 4.32 4.34 1hi0P1 LYS 185 HB2 -0.09 0.21 0.16 -0.04 1.87 2.12 1hi0P1 LYS 185 HB3 -0.04 -0.21 0.16 -0.04 1.79 1.67 1hi0P1 LYS 185 HG2 -0.02 -0.06 0.00 -0.04 1.46 1.35 1hi0P1 LYS 185 HG3 -0.05 0.24 -0.16 -0.04 1.46 1.45 1hi0P1 LYS 185 HD2 -0.03 0.03 0.04 -0.04 1.69 1.69 1hi0P1 LYS 185 HD3 -0.02 -0.09 0.03 -0.04 1.68 1.57 1hi0P1 LYS 185 HE2 -0.01 -0.05 0.01 -0.04 2.99 2.91 1hi0P1 LYS 185 HE3 -0.01 0.09 0.02 -0.04 2.99 3.04 1hi0P1 PHE 186 H -0.03 0.45 -0.21 -0.55 8.34 8.00 1hi0P1 PHE 186 HA 0.04 0.08 0.35 -0.75 4.62 4.33 1hi0P1 PHE 186 HB2 0.01 0.26 0.21 -0.04 3.15 3.59 1hi0P1 PHE 186 HB3 -0.00 0.03 0.03 -0.04 3.06 3.07 1hi0P1 PHE 186 HD2 0.01 0.09 0.09 -0.04 7.28 7.43 1hi0P1 PHE 186 HE2 0.02 -0.01 0.02 -0.04 7.38 7.36 1hi0P1 PHE 186 HZ 0.02 0.01 0.01 -0.04 7.32 7.32 1hi0P1 ASP 187 H 0.14 0.18 -0.04 -0.55 8.40 8.13 1hi0P1 ASP 187 HA 0.14 0.09 0.36 -0.75 4.63 4.46 1hi0P1 ASP 187 HB2 0.06 -0.01 0.08 -0.04 2.71 2.80 1hi0P1 ASP 187 HB3 0.07 0.01 -0.04 -0.04 2.70 2.70 1hi0P1 ASP 188 H 0.04 0.12 -0.33 -0.55 8.40 7.69 1hi0P1 ASP 188 HA 0.01 0.02 0.37 -0.75 4.63 4.27 1hi0P1 ASP 188 HB2 0.00 0.17 0.11 -0.04 2.71 2.95 1hi0P1 ASP 188 HB3 0.01 0.02 -0.03 -0.04 2.70 2.66 1hi0P1 ALA 189 H 0.05 0.47 -0.22 -0.55 8.40 8.16 1hi0P1 ALA 189 HA 0.15 -0.03 0.33 -0.75 4.34 4.03 1hi0P1 ALA 189 HB3 0.10 0.05 0.09 -0.04 1.41 1.61 1hi0P1 TYR 190 H 0.21 0.60 -0.17 -0.55 8.29 8.37 1hi0P1 TYR 190 HA -0.01 -0.13 0.16 -0.75 4.56 3.83 1hi0P1 TYR 190 HB2 0.00 0.02 -0.08 -0.04 3.06 2.96 1hi0P1 TYR 190 HB3 -0.01 0.04 0.08 -0.04 2.98 3.05 1hi0P1 TYR 190 HD2 -0.07 -0.05 -0.39 -0.04 7.15 6.60 1hi0P1 TYR 190 HE2 -0.14 0.12 -0.17 -0.04 6.85 6.62 1hi0P1 GLN 191 H 0.06 0.75 0.00 -0.55 8.47 8.73 1hi0P1 GLN 191 HA -0.29 0.02 0.40 -0.75 4.36 3.73 1hi0P1 GLN 191 HB2 -0.03 0.06 0.15 -0.04 2.15 2.29 1hi0P1 GLN 191 HB3 -0.08 -0.06 -0.01 -0.04 2.02 1.84 1hi0P1 GLN 191 HG2 -0.03 -0.03 0.01 -0.04 2.40 2.32 1hi0P1 GLN 191 HG3 0.08 0.00 0.04 -0.04 2.39 2.47 1hi0P1 GLN 191 HE21 0.03 -0.05 -0.06 -0.04 6.97 6.84 1hi0P1 GLN 191 HE22 0.06 0.01 -0.04 -0.04 7.69 7.68 1hi0P1 LEU 192 H -0.13 0.74 -0.09 -0.55 8.37 8.34 1hi0P1 LEU 192 HA -0.27 0.06 0.54 -0.75 4.35 3.92 1hi0P1 LEU 192 HB2 -0.41 0.09 0.02 -0.04 1.64 1.31 1hi0P1 LEU 192 HB3 -0.86 -0.06 0.00 -0.04 1.64 0.68 1hi0P1 LEU 192 HG -0.10 0.06 0.03 -0.04 1.64 1.60 1hi0P1 LEU 192 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.78 1hi0P1 LEU 192 HD23 -0.12 -0.03 -0.06 -0.04 0.89 0.64 1hi0P1 HIS 193 H -0.11 0.43 -0.16 -0.55 8.41 8.02 1hi0P1 HIS 193 HA -0.04 0.17 0.87 -0.75 4.63 4.87 1hi0P1 HIS 193 HB2 -0.02 0.06 0.02 -0.04 3.26 3.28 1hi0P1 HIS 193 HB3 -0.03 -0.05 0.07 -0.04 3.20 3.15 1hi0P1 HIS 193 HD2 -0.03 -0.01 -0.03 -0.04 6.97 6.85 1hi0P1 HIS 193 HE1 -0.03 -0.04 -0.13 -0.04 7.75 7.51 1hi0P1 GLN 194 H -0.20 0.64 0.04 -0.55 8.47 8.40 1hi0P1 GLN 194 HA -0.46 0.14 0.32 -0.75 4.36 3.60 1hi0P1 GLN 194 HB2 -0.08 0.11 0.02 -0.04 2.15 2.16 1hi0P1 GLN 194 HB3 -0.20 -0.05 0.27 -0.04 2.02 2.00 1hi0P1 GLN 194 HG2 -0.40 -0.14 0.01 -0.04 2.40 1.83 1hi0P1 GLN 194 HG3 -0.45 0.09 0.01 -0.04 2.39 2.00 1hi0P1 GLN 194 HE21 -0.10 0.10 -0.31 -0.04 6.97 6.62 1hi0P1 GLN 194 HE22 -0.24 0.17 -0.11 -0.04 7.69 7.47 1hi0P1 MET 195 H 0.09 0.24 -0.47 -0.55 8.47 7.78 1hi0P1 MET 195 HA 0.03 0.06 0.69 -0.75 4.52 4.55 1hi0P1 MET 195 HB2 0.09 -0.01 -0.05 -0.04 2.15 2.14 1hi0P1 MET 195 HB3 0.05 -0.01 -0.08 -0.04 2.03 1.95 1hi0P1 MET 195 HG2 -0.01 -0.03 -0.54 -0.04 2.63 2.01 1hi0P1 MET 195 HG3 0.05 0.19 -0.29 -0.04 2.56 2.47 1hi0P1 MET 195 HE3 -0.04 0.00 -0.02 -0.04 2.10 2.00 1hi0P1 GLY 196 H 0.04 0.35 0.00 -0.55 8.43 8.27 1hi0P1 GLY 196 HA2 -0.05 0.06 0.14 -0.51 4.01 3.65 1hi0P1 GLY 196 HA3 0.03 0.12 0.65 -0.51 4.01 4.30 1hi0P1 GLY 197 H -0.37 0.16 0.02 -0.55 8.43 7.69 1hi0P1 GLY 197 HA2 -0.71 -0.01 0.30 -0.51 4.01 3.08 1hi0P1 GLY 197 HA3 -0.64 0.09 0.48 -0.51 4.01 3.43 1hi0P1 ALA 198 H -0.24 0.32 0.28 -0.55 8.40 8.22 1hi0P1 ALA 198 HA -0.10 0.17 0.40 -0.75 4.34 4.05 1hi0P1 ALA 198 HB3 -0.01 -0.00 -0.27 -0.04 1.41 1.09 1hi0P1 TYR 199 H 0.16 0.62 0.35 -0.55 8.29 8.86 1hi0P1 TYR 199 HA 0.01 0.23 0.73 -0.75 4.56 4.78 1hi0P1 TYR 199 HB2 -0.02 0.07 0.07 -0.04 3.06 3.14 1hi0P1 TYR 199 HB3 -0.01 -0.14 -0.14 -0.04 2.98 2.65 1hi0P1 TYR 199 HD2 -0.04 0.04 -0.41 -0.04 7.15 6.70 1hi0P1 TYR 199 HE2 -0.07 0.03 -0.17 -0.04 6.85 6.60 1hi0P1 TYR 200 H 0.25 0.64 0.33 -0.55 8.29 8.97 1hi0P1 TYR 200 HA 0.22 0.19 0.92 -0.75 4.56 5.13 1hi0P1 TYR 200 HB2 0.20 -0.01 0.07 -0.04 3.06 3.28 1hi0P1 TYR 200 HB3 0.13 -0.07 0.24 -0.04 2.98 3.25 1hi0P1 TYR 200 HD2 0.33 -0.05 -0.11 -0.04 7.15 7.28 1hi0P1 TYR 200 HE2 0.20 0.03 -0.14 -0.04 6.85 6.89 1hi0P1 VAL 201 H -0.27 0.66 0.31 -0.55 8.24 8.38 1hi0P1 VAL 201 HA -0.21 0.17 0.70 -0.75 4.13 4.04 1hi0P1 VAL 201 HB -0.50 -0.19 0.34 -0.04 2.12 1.72 1hi0P1 VAL 201 HG13 -0.79 0.00 -0.17 -0.04 0.97 -0.03 1hi0P1 VAL 201 HG23 -0.20 0.03 -0.07 -0.04 0.95 0.67 1hi0P1 VAL 202 H -0.19 0.58 0.36 -0.55 8.24 8.45 1hi0P1 VAL 202 HA -0.17 0.18 0.90 -0.75 4.13 4.28 1hi0P1 VAL 202 HB 0.05 0.01 0.01 -0.04 2.12 2.14 1hi0P1 VAL 202 HG13 0.19 0.04 -0.12 -0.04 0.97 1.05 1hi0P1 VAL 202 HG23 0.01 -0.03 -0.21 -0.04 0.95 0.68 1hi0P1 TYR 203 H -0.00 0.18 0.08 -0.55 8.29 8.00 1hi0P1 TYR 203 HA -0.06 0.23 1.11 -0.75 4.56 5.08 1hi0P1 TYR 203 HB2 -0.08 -0.01 0.16 -0.04 3.06 3.09 1hi0P1 TYR 203 HB3 -0.07 0.05 0.04 -0.04 2.98 2.96 1hi0P1 TYR 203 HD2 -0.09 0.13 -0.11 -0.04 7.15 7.04 1hi0P1 TYR 203 HE2 -0.16 -0.08 -0.24 -0.04 6.85 6.33 1hi0P1 ARG 204 H 0.04 0.14 0.04 -0.55 8.46 8.12 1hi0P1 ARG 204 HA -0.07 0.05 0.52 -0.75 4.34 4.09 1hi0P1 ARG 204 HB2 0.03 -0.02 0.02 -0.04 1.90 1.89 1hi0P1 ARG 204 HB3 -0.00 -0.02 0.01 -0.04 1.80 1.75 1hi0P1 ARG 204 HG2 -0.05 -0.07 -0.36 -0.04 1.67 1.14 1hi0P1 ARG 204 HG3 -0.12 0.09 -0.04 -0.04 1.67 1.56 1hi0P1 ARG 204 HD2 0.05 -0.01 -0.02 -0.04 3.22 3.19 1hi0P1 ARG 204 HD3 0.00 -0.04 -0.06 -0.04 3.22 3.07 1hi0P1 ALA 205 H -0.24 0.15 0.23 -0.55 8.40 7.99 1hi0P1 ALA 205 HA -0.09 0.21 0.75 -0.75 4.34 4.45 1hi0P1 ALA 205 HB3 -0.16 0.03 0.07 -0.04 1.41 1.31 1hi0P1 GLN 206 H -0.09 0.64 0.09 -0.55 8.47 8.56 1hi0P1 GLN 206 HA -0.07 0.11 0.66 -0.75 4.36 4.31 1hi0P1 GLN 206 HB2 -0.07 0.07 -0.04 -0.04 2.15 2.07 1hi0P1 GLN 206 HB3 -0.09 -0.05 0.15 -0.04 2.02 1.99 1hi0P1 GLN 206 HG2 -0.06 0.03 -0.08 -0.04 2.40 2.26 1hi0P1 GLN 206 HG3 -0.05 -0.04 -0.07 -0.04 2.39 2.19 1hi0P1 GLN 206 HE21 -0.03 0.05 0.03 -0.04 6.97 6.98 1hi0P1 GLN 206 HE22 -0.04 -0.06 -0.01 -0.04 7.69 7.54 1hi0P1 SER 207 H -0.07 0.26 -0.29 -0.55 8.46 7.81 1hi0P1 SER 207 HA -0.09 -0.06 0.19 -0.75 4.49 3.78 1hi0P1 SER 207 HB2 0.05 0.01 0.03 -0.04 3.95 4.00 1hi0P1 SER 207 HB3 -0.03 -0.04 -0.09 -0.04 3.93 3.73 1hi0P1 THR 208 H -0.08 0.10 -0.81 -0.55 8.28 6.94 1hi0P1 THR 208 HA 0.04 0.31 0.80 -0.75 4.39 4.78 1hi0P1 THR 208 HB 0.08 -0.10 -0.12 -0.04 4.32 4.14 1hi0P1 THR 208 HG23 0.13 0.07 -0.39 -0.04 1.22 1.00 1hi0P1 ASP 209 H 0.15 0.32 0.12 -0.55 8.40 8.44 1hi0P1 ASP 209 HA 0.00 0.15 0.84 -0.75 4.63 4.87 1hi0P1 ASP 209 HB2 -0.11 0.02 -0.10 -0.04 2.71 2.48 1hi0P1 ASP 209 HB3 0.02 0.09 -0.05 -0.04 2.70 2.71 1hi0P1 ALA 210 H 0.02 0.11 0.11 -0.55 8.40 8.09 1hi0P1 ALA 210 HA 0.04 0.02 0.37 -0.75 4.34 4.01 1hi0P1 ALA 210 HB3 0.00 0.01 0.08 -0.04 1.41 1.47 1hi0P1 ILE 211 H 0.08 0.23 0.17 -0.55 8.25 8.17 1hi0P1 ILE 211 HA -0.10 0.23 0.78 -0.75 4.18 4.34 1hi0P1 ILE 211 HB 0.08 -0.05 -0.10 -0.04 1.89 1.78 1hi0P1 ILE 211 HG12 -0.50 -0.09 -0.07 -0.04 1.49 0.78 1hi0P1 ILE 211 HG13 -0.07 0.09 -0.52 -0.04 1.21 0.66 1hi0P1 ILE 211 HG23 -0.00 -0.02 -0.23 -0.04 0.93 0.64 1hi0P1 ILE 211 HD13 -0.39 0.08 -0.09 -0.04 0.88 0.44 1hi0P1 THR 212 H 0.07 0.60 0.32 -0.55 8.28 8.73 1hi0P1 THR 212 HA 0.38 0.18 1.02 -0.75 4.39 5.22 1hi0P1 THR 212 HB 0.11 0.01 0.02 -0.04 4.32 4.42 1hi0P1 THR 212 HG23 0.08 -0.01 -0.21 -0.04 1.22 1.03 1hi0P1 LEU 213 H 0.23 0.21 0.12 -0.55 8.37 8.38 1hi0P1 LEU 213 HA -0.34 0.25 0.90 -0.75 4.35 4.41 1hi0P1 LEU 213 HB2 -0.37 -0.01 -0.09 -0.04 1.64 1.14 1hi0P1 LEU 213 HB3 0.09 -0.01 0.11 -0.04 1.64 1.78 1hi0P1 LEU 213 HG -0.22 -0.01 -0.38 -0.04 1.64 0.99 1hi0P1 LEU 213 HD13 -1.06 0.06 -0.37 -0.04 0.93 -0.48 1hi0P1 LEU 213 HD23 -0.19 0.00 -0.10 -0.04 0.89 0.56 1hi0P1 ASP 214 H -0.13 0.65 0.18 -0.55 8.40 8.55 1hi0P1 ASP 214 HA -0.02 0.13 0.52 -0.75 4.63 4.51 1hi0P1 ASP 214 HB2 -0.03 0.12 0.08 -0.04 2.71 2.84 1hi0P1 ASP 214 HB3 -0.06 -0.18 0.21 -0.04 2.70 2.64 1hi0P1 PRO 215 HA -0.04 0.11 0.35 -0.51 4.44 4.36 1hi0P1 PRO 215 HB2 -0.01 0.05 0.01 -0.04 2.28 2.29 1hi0P1 PRO 215 HB3 -0.00 0.07 0.13 -0.04 2.02 2.17 1hi0P1 PRO 215 HG2 -0.01 -0.07 0.11 -0.04 2.03 2.02 1hi0P1 PRO 215 HG3 0.00 0.08 0.10 -0.04 2.03 2.17 1hi0P1 PRO 215 HD2 -0.01 0.01 0.28 -0.04 3.68 3.92 1hi0P1 PRO 215 HD3 0.00 0.31 0.32 -0.04 3.65 4.23 1hi0P1 LYS 216 H -0.02 0.04 -0.23 -0.55 8.42 7.66 1hi0P1 LYS 216 HA -0.02 0.11 0.40 -0.75 4.32 4.06 1hi0P1 LYS 216 HB2 -0.02 -0.11 0.09 -0.04 1.87 1.79 1hi0P1 LYS 216 HB3 -0.01 0.05 -0.01 -0.04 1.79 1.78 1hi0P1 LYS 216 HG2 -0.01 -0.05 0.05 -0.04 1.46 1.41 1hi0P1 LYS 216 HG3 -0.01 0.02 0.03 -0.04 1.46 1.46 1hi0P1 LYS 216 HD2 -0.01 0.03 -0.00 -0.04 1.69 1.67 1hi0P1 LYS 216 HD3 -0.00 0.01 -0.00 -0.04 1.68 1.64 1hi0P1 LYS 216 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1hi0P1 LYS 216 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.95 1hi0P1 THR 217 H -0.03 -0.02 -0.08 -0.55 8.28 7.60 1hi0P1 THR 217 HA -0.03 0.17 0.56 -0.75 4.39 4.34 1hi0P1 THR 217 HB -0.02 0.04 0.06 -0.04 4.32 4.36 1hi0P1 THR 217 HG23 -0.01 -0.00 0.00 -0.04 1.22 1.17 1hi0P1 GLY 218 H -0.09 0.72 -0.09 -0.55 8.43 8.43 1hi0P1 GLY 218 HA2 -0.15 0.03 0.22 -0.51 4.01 3.60 1hi0P1 GLY 218 HA3 -0.09 0.08 0.48 -0.51 4.01 3.98 1hi0P1 LYS 219 H -0.11 -0.06 -0.29 -0.55 8.42 7.40 1hi0P1 LYS 219 HA -0.10 0.17 0.75 -0.75 4.32 4.38 1hi0P1 LYS 219 HB2 -0.03 -0.11 -0.00 -0.04 1.87 1.69 1hi0P1 LYS 219 HB3 0.02 0.09 0.02 -0.04 1.79 1.88 1hi0P1 LYS 219 HG2 -0.03 0.16 -0.21 -0.04 1.46 1.34 1hi0P1 LYS 219 HG3 -0.00 -0.03 -0.02 -0.04 1.46 1.36 1hi0P1 LYS 219 HD2 0.03 -0.05 0.04 -0.04 1.69 1.67 1hi0P1 LYS 219 HD3 -0.01 0.10 -0.04 -0.04 1.68 1.68 1hi0P1 LYS 219 HE2 -0.01 0.06 -0.03 -0.04 2.99 2.98 1hi0P1 LYS 219 HE3 0.01 -0.03 -0.00 -0.04 2.99 2.92 1hi0P1 PHE 220 H 0.15 0.10 0.15 -0.55 8.34 8.19 1hi0P1 PHE 220 HA -0.03 0.27 0.88 -0.75 4.62 4.99 1hi0P1 PHE 220 HB2 0.10 -0.11 0.12 -0.04 3.15 3.21 1hi0P1 PHE 220 HB3 0.21 0.04 -0.03 -0.04 3.06 3.24 1hi0P1 PHE 220 HD2 -0.20 -0.03 -0.18 -0.04 7.28 6.83 1hi0P1 PHE 220 HE2 -1.18 -0.02 -0.11 -0.04 7.38 6.03 1hi0P1 PHE 220 HZ -0.50 -0.01 -0.07 -0.04 7.32 6.69 1hi0P1 VAL 221 H 0.17 0.60 0.33 -0.55 8.24 8.79 1hi0P1 VAL 221 HA 0.05 0.13 0.91 -0.75 4.13 4.47 1hi0P1 VAL 221 HB 0.02 -0.06 0.05 -0.04 2.12 2.08 1hi0P1 VAL 221 HG13 -0.01 0.00 -0.24 -0.04 0.97 0.68 1hi0P1 VAL 221 HG23 0.03 0.00 -0.31 -0.04 0.95 0.63 1hi0P1 SER 222 H -0.34 0.13 0.07 -0.55 8.46 7.78 1hi0P1 SER 222 HA -0.41 0.20 0.84 -0.75 4.49 4.37 1hi0P1 SER 222 HB2 -0.36 0.15 -0.03 -0.04 3.95 3.67 1hi0P1 SER 222 HB3 -1.80 0.00 -0.02 -0.04 3.93 2.07 1hi0P1 LYS 223 H -0.10 0.62 0.16 -0.55 8.42 8.55 1hi0P1 LYS 223 HA -0.04 -0.05 0.35 -0.75 4.32 3.83 1hi0P1 LYS 223 HB2 -0.02 -0.07 0.06 -0.04 1.87 1.80 1hi0P1 LYS 223 HB3 -0.03 -0.00 0.12 -0.04 1.79 1.84 1hi0P1 LYS 223 HG2 -0.02 0.09 -0.30 -0.04 1.46 1.19 1hi0P1 LYS 223 HG3 -0.02 -0.02 0.01 -0.04 1.46 1.38 1hi0P1 LYS 223 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.61 1hi0P1 LYS 223 HD3 -0.01 -0.09 0.01 -0.04 1.68 1.55 1hi0P1 LYS 223 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 1hi0P1 LYS 223 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 1hi0P1 ASP 224 H -0.02 0.05 0.16 -0.55 8.40 8.05 1hi0P1 ASP 224 HA -0.02 0.12 0.52 -0.75 4.63 4.50 1hi0P1 ASP 224 HB2 -0.00 -0.03 0.13 -0.04 2.71 2.77 1hi0P1 ASP 224 HB3 -0.01 -0.04 -0.07 -0.04 2.70 2.54 1hi0P1 ARG 225 H -0.04 0.22 0.15 -0.55 8.46 8.25 1hi0P1 ARG 225 HA -0.05 0.12 0.88 -0.75 4.34 4.54 1hi0P1 ARG 225 HB2 -0.06 -0.02 0.14 -0.04 1.90 1.92 1hi0P1 ARG 225 HB3 -0.06 0.06 0.01 -0.04 1.80 1.77 1hi0P1 ARG 225 HG2 -0.03 0.07 -0.54 -0.04 1.67 1.12 1hi0P1 ARG 225 HG3 -0.04 -0.00 -0.07 -0.04 1.67 1.52 1hi0P1 ARG 225 HD2 -0.04 -0.05 -0.05 -0.04 3.22 3.04 1hi0P1 ARG 225 HD3 -0.04 0.02 -0.00 -0.04 3.22 3.15 1hi0P1 MET 226 H -0.06 0.14 0.04 -0.55 8.47 8.04 1hi0P1 MET 226 HA -0.15 0.18 0.23 -0.75 4.52 4.03 1hi0P1 MET 226 HB2 -0.08 0.01 0.02 -0.04 2.15 2.06 1hi0P1 MET 226 HB3 -0.10 -0.04 -0.05 -0.04 2.03 1.80 1hi0P1 MET 226 HG2 -0.03 0.01 -0.06 -0.04 2.63 2.52 1hi0P1 MET 226 HG3 -0.02 0.05 -0.07 -0.04 2.56 2.48 1hi0P1 MET 226 HE3 -0.02 0.03 -0.40 -0.04 2.10 1.67 1hi0P1 VAL 227 H -0.41 0.41 0.40 -0.55 8.24 8.09 1hi0P1 VAL 227 HA -0.21 0.10 0.79 -0.75 4.13 4.05 1hi0P1 VAL 227 HB -0.22 0.01 -0.17 -0.04 2.12 1.70 1hi0P1 VAL 227 HG13 -0.18 0.05 -0.30 -0.04 0.97 0.50 1hi0P1 VAL 227 HG23 -0.87 0.06 -0.10 -0.04 0.95 0.01 1hi0P1 ALA 228 H -0.14 0.15 0.19 -0.55 8.40 8.05 1hi0P1 ALA 228 HA -0.19 0.26 0.91 -0.75 4.34 4.56 1hi0P1 ALA 228 HB3 -0.25 0.03 0.04 -0.04 1.41 1.19 1hi0P1 ASP 229 H 0.22 0.32 0.31 -0.55 8.40 8.70 1hi0P1 ASP 229 HA 0.26 0.24 0.65 -0.75 4.63 5.03 1hi0P1 ASP 229 HB2 0.06 -0.05 0.18 -0.04 2.71 2.86 1hi0P1 ASP 229 HB3 0.32 0.17 0.10 -0.04 2.70 3.26 1hi0P1 PHE 230 H -0.40 0.21 0.13 -0.55 8.34 7.73 1hi0P1 PHE 230 HA -0.84 0.14 0.31 -0.75 4.62 3.47 1hi0P1 PHE 230 HB2 -1.94 0.08 0.10 -0.04 3.15 1.35 1hi0P1 PHE 230 HB3 -0.62 -0.04 0.12 -0.04 3.06 2.48 1hi0P1 PHE 230 HD2 -0.88 -0.02 -0.12 -0.04 7.28 6.23 1hi0P1 PHE 230 HE2 -0.12 0.02 -0.09 -0.04 7.38 7.15 1hi0P1 PHE 230 HZ -0.12 0.03 -0.06 -0.04 7.32 7.12 1hi0P1 GLU 231 H -0.05 0.07 -0.17 -0.55 8.60 7.90 1hi0P1 GLU 231 HA -0.27 0.13 0.35 -0.75 4.29 3.75 1hi0P1 GLU 231 HB2 -0.01 -0.07 0.12 -0.04 2.09 2.09 1hi0P1 GLU 231 HB3 -0.05 -0.00 -0.12 -0.04 1.99 1.78 1hi0P1 GLU 231 HG2 0.06 0.01 0.02 -0.04 2.34 2.40 1hi0P1 GLU 231 HG3 -0.01 0.03 0.03 -0.04 2.34 2.35 1hi0P1 TYR 232 H 0.09 -0.05 -0.17 -0.55 8.29 7.61 1hi0P1 TYR 232 HA -0.06 0.30 0.11 -0.75 4.56 4.15 1hi0P1 TYR 232 HB2 0.02 -0.27 0.14 -0.04 3.06 2.90 1hi0P1 TYR 232 HB3 0.01 0.07 0.08 -0.04 2.98 3.09 1hi0P1 TYR 232 HD2 0.01 -0.12 -0.51 -0.04 7.15 6.49 1hi0P1 TYR 232 HE2 0.01 0.01 -0.16 -0.04 6.85 6.66 1hi0P1 ALA 233 H 0.05 0.54 -0.30 -0.55 8.40 8.14 1hi0P1 ALA 233 HA 0.12 -0.02 0.26 -0.75 4.34 3.94 1hi0P1 ALA 233 HB3 0.07 0.11 -0.18 -0.04 1.41 1.38 1hi0P1 VAL 234 H -0.41 0.60 -0.10 -0.55 8.24 7.77 1hi0P1 VAL 234 HA -0.15 0.07 0.62 -0.75 4.13 3.91 1hi0P1 VAL 234 HB -0.24 0.03 0.17 -0.04 2.12 2.03 1hi0P1 VAL 234 HG13 -0.72 0.02 -0.01 -0.04 0.97 0.22 1hi0P1 VAL 234 HG23 -0.52 0.04 0.00 -0.04 0.95 0.43 1hi0P1 THR 235 H -0.14 0.43 -0.37 -0.55 8.28 7.65 1hi0P1 THR 235 HA -0.09 0.24 0.96 -0.75 4.39 4.75 1hi0P1 THR 235 HB -0.11 -0.03 0.17 -0.04 4.32 4.31 1hi0P1 THR 235 HG23 -0.13 0.04 -0.09 -0.04 1.22 1.00 1hi0P1 GLY 236 H -0.04 0.26 -0.17 -0.55 8.43 7.93 1hi0P1 GLY 236 HA2 0.01 0.10 0.43 -0.51 4.01 4.04 1hi0P1 GLY 236 HA3 -0.03 0.01 0.40 -0.51 4.01 3.88 1hi0P1 GLY 237 H -0.25 0.23 -0.49 -0.55 8.43 7.37 1hi0P1 GLY 237 HA2 -1.78 -0.05 0.20 -0.51 4.01 1.87 1hi0P1 GLY 237 HA3 -0.38 0.16 0.77 -0.51 4.01 4.05 1hi0P1 GLU 238 H -0.19 0.54 -0.16 -0.55 8.60 8.25 1hi0P1 GLU 238 HA -0.12 0.02 0.36 -0.75 4.29 3.80 1hi0P1 GLU 238 HB2 -0.11 -0.18 0.16 -0.04 2.09 1.92 1hi0P1 GLU 238 HB3 -0.08 -0.05 -0.00 -0.04 1.99 1.81 1hi0P1 GLU 238 HG2 -0.09 0.17 0.09 -0.04 2.34 2.47 1hi0P1 GLU 238 HG3 -0.07 -0.02 0.02 -0.04 2.34 2.23 1hi0P1 GLN 239 H -0.16 0.00 -0.12 -0.55 8.47 7.65 1hi0P1 GLN 239 HA -0.09 0.29 0.85 -0.75 4.36 4.65 1hi0P1 GLN 239 HB2 -0.09 0.00 0.01 -0.04 2.15 2.03 1hi0P1 GLN 239 HB3 -0.07 -0.23 0.10 -0.04 2.02 1.78 1hi0P1 GLN 239 HG2 -0.04 -0.05 0.03 -0.04 2.40 2.30 1hi0P1 GLN 239 HG3 -0.05 0.12 0.04 -0.04 2.39 2.46 1hi0P1 GLN 239 HE21 -0.05 0.00 -0.09 -0.04 6.97 6.80 1hi0P1 GLN 239 HE22 -0.05 0.12 -0.18 -0.04 7.69 7.53 1hi0P1 GLY 240 H -0.04 0.07 0.04 -0.55 8.43 7.96 1hi0P1 GLY 240 HA2 0.02 -0.00 0.30 -0.51 4.01 3.81 1hi0P1 GLY 240 HA3 0.05 -0.19 0.29 -0.51 4.01 3.66 1hi0P1 SER 241 H 0.24 -0.02 0.24 -0.55 8.46 8.37 1hi0P1 SER 241 HA 0.31 0.24 0.64 -0.75 4.49 4.93 1hi0P1 SER 241 HB2 0.11 0.16 0.06 -0.04 3.95 4.24 1hi0P1 SER 241 HB3 0.06 0.10 -0.17 -0.04 3.93 3.89 1hi0P1 LEU 242 H 0.27 0.21 0.19 -0.55 8.37 8.50 1hi0P1 LEU 242 HA -0.07 0.23 0.76 -0.75 4.35 4.52 1hi0P1 LEU 242 HB2 0.17 0.02 0.04 -0.04 1.64 1.83 1hi0P1 LEU 242 HB3 0.08 0.01 -0.02 -0.04 1.64 1.67 1hi0P1 LEU 242 HG -0.11 -0.06 -0.09 -0.04 1.64 1.34 1hi0P1 LEU 242 HD13 -0.63 0.06 -0.30 -0.04 0.93 0.02 1hi0P1 LEU 242 HD23 -0.03 0.02 -0.08 -0.04 0.89 0.76 1hi0P1 PHE 243 H -0.18 0.25 0.30 -0.55 8.34 8.16 1hi0P1 PHE 243 HA 0.00 0.03 0.37 -0.75 4.62 4.26 1hi0P1 PHE 243 HB2 0.01 -0.01 0.07 -0.04 3.15 3.18 1hi0P1 PHE 243 HB3 0.01 0.17 -0.01 -0.04 3.06 3.20 1hi0P1 PHE 243 HD2 0.01 0.02 -0.46 -0.04 7.28 6.80 1hi0P1 PHE 243 HE2 0.03 -0.06 -0.11 -0.04 7.38 7.20 1hi0P1 PHE 243 HZ 0.06 -0.03 -0.13 -0.04 7.32 7.17 1hi0P1 ALA 244 H 0.14 0.11 0.09 -0.55 8.40 8.18 1hi0P1 ALA 244 HA -0.08 0.16 0.33 -0.75 4.34 4.00 1hi0P1 ALA 244 HB3 0.03 -0.01 0.06 -0.04 1.41 1.46 1hi0P1 ALA 245 H -0.13 0.60 0.33 -0.55 8.40 8.64 1hi0P1 ALA 245 HA -0.08 0.09 0.41 -0.75 4.34 4.00 1hi0P1 ALA 245 HB3 -0.09 -0.01 -0.11 -0.04 1.41 1.15 1hi0P1 SER 246 H 0.05 0.96 0.38 -0.55 8.46 9.30 1hi0P1 SER 246 HA 0.07 0.08 0.82 -0.75 4.49 4.71 1hi0P1 SER 246 HB2 0.08 0.04 0.17 -0.04 3.95 4.20 1hi0P1 SER 246 HB3 0.06 0.07 0.29 -0.04 3.93 4.31 1hi0P1 LYS 247 H 0.09 0.15 0.17 -0.55 8.42 8.28 1hi0P1 LYS 247 HA 0.13 0.25 0.83 -0.75 4.32 4.78 1hi0P1 LYS 247 HB2 0.10 -0.02 0.03 -0.04 1.87 1.94 1hi0P1 LYS 247 HB3 0.23 -0.05 0.13 -0.04 1.79 2.07 1hi0P1 LYS 247 HG2 0.09 0.13 -0.18 -0.04 1.46 1.45 1hi0P1 LYS 247 HG3 0.04 -0.01 -0.25 -0.04 1.46 1.20 1hi0P1 LYS 247 HD2 -0.02 0.02 -0.14 -0.04 1.69 1.51 1hi0P1 LYS 247 HD3 0.08 0.02 -0.08 -0.04 1.68 1.66 1hi0P1 LYS 247 HE2 0.00 -0.06 -0.15 -0.04 2.99 2.74 1hi0P1 LYS 247 HE3 -0.01 -0.05 -0.08 -0.04 2.99 2.81 1hi0P1 ASP 248 H 0.12 0.04 -0.03 -0.55 8.40 7.97 1hi0P1 ASP 248 HA 0.15 0.09 0.52 -0.75 4.63 4.63 1hi0P1 ASP 248 HB2 0.09 0.05 0.15 -0.04 2.71 2.96 1hi0P1 ASP 248 HB3 0.07 0.04 0.14 -0.04 2.70 2.90 1hi0P1 ALA 249 H -0.02 0.25 0.27 -0.55 8.40 8.35 1hi0P1 ALA 249 HA 0.02 0.22 0.78 -0.75 4.34 4.61 1hi0P1 ALA 249 HB3 -0.03 0.06 -0.05 -0.04 1.41 1.36 1hi0P1 SER 250 H -0.01 0.09 -0.12 -0.55 8.46 7.87 1hi0P1 SER 250 HA -0.05 0.13 0.40 -0.75 4.49 4.22 1hi0P1 SER 250 HB2 -0.01 -0.02 0.04 -0.04 3.95 3.92 1hi0P1 SER 250 HB3 -0.02 0.03 0.01 -0.04 3.93 3.90 1hi0P1 ARG 251 H -0.01 0.15 -0.28 -0.55 8.46 7.76 1hi0P1 ARG 251 HA -0.04 0.02 0.33 -0.75 4.34 3.90 1hi0P1 ARG 251 HB2 -0.02 0.02 -0.01 -0.04 1.90 1.85 1hi0P1 ARG 251 HB3 -0.00 0.01 0.04 -0.04 1.80 1.81 1hi0P1 ARG 251 HG2 0.02 -0.06 -0.06 -0.04 1.67 1.53 1hi0P1 ARG 251 HG3 0.05 0.02 -0.17 -0.04 1.67 1.52 1hi0P1 ARG 251 HD2 0.05 -0.03 -0.05 -0.04 3.22 3.14 1hi0P1 ARG 251 HD3 0.04 0.01 -0.01 -0.04 3.22 3.23 1hi0P1 LEU 252 H -0.05 0.30 -0.46 -0.55 8.37 7.60 1hi0P1 LEU 252 HA 0.05 -0.04 0.25 -0.75 4.35 3.86 1hi0P1 LEU 252 HB2 -0.15 0.21 0.02 -0.04 1.64 1.68 1hi0P1 LEU 252 HB3 -0.24 -0.06 -0.05 -0.04 1.64 1.25 1hi0P1 LEU 252 HG -0.17 0.01 0.03 -0.04 1.64 1.47 1hi0P1 LEU 252 HD13 -0.72 0.01 -0.08 -0.04 0.93 0.10 1hi0P1 LEU 252 HD23 -0.30 -0.02 -0.08 -0.04 0.89 0.46 1hi0P1 LYS 253 H -0.06 0.46 -0.29 -0.55 8.42 7.97 1hi0P1 LYS 253 HA -0.04 0.12 0.44 -0.75 4.32 4.09 1hi0P1 LYS 253 HB2 -0.05 0.00 0.16 -0.04 1.87 1.94 1hi0P1 LYS 253 HB3 -0.04 0.05 0.21 -0.04 1.79 1.96 1hi0P1 LYS 253 HG2 -0.04 -0.04 -0.04 -0.04 1.46 1.30 1hi0P1 LYS 253 HG3 -0.03 0.00 -0.31 -0.04 1.46 1.08 1hi0P1 LYS 253 HD2 -0.03 -0.06 -0.21 -0.04 1.69 1.34 1hi0P1 LYS 253 HD3 -0.04 -0.03 -0.20 -0.04 1.68 1.38 1hi0P1 LYS 253 HE2 -0.03 -0.03 -0.09 -0.04 2.99 2.81 1hi0P1 LYS 253 HE3 -0.02 0.00 -0.13 -0.04 2.99 2.80 1hi0P1 GLU 254 H -0.05 0.20 0.04 -0.55 8.60 8.24 1hi0P1 GLU 254 HA -0.05 0.03 0.35 -0.75 4.29 3.87 1hi0P1 GLU 254 HB2 -0.04 -0.05 0.10 -0.04 2.09 2.06 1hi0P1 GLU 254 HB3 -0.06 0.03 0.13 -0.04 1.99 2.05 1hi0P1 GLU 254 HG2 -0.07 0.06 -0.28 -0.04 2.34 2.00 1hi0P1 GLU 254 HG3 -0.04 -0.02 0.03 -0.04 2.34 2.27 1hi0P1 GLN 255 H -0.16 0.58 -0.23 -0.55 8.47 8.11 1hi0P1 GLN 255 HA -0.22 0.08 0.55 -0.75 4.36 4.01 1hi0P1 GLN 255 HB2 -0.84 -0.07 0.01 -0.04 2.15 1.22 1hi0P1 GLN 255 HB3 -0.86 -0.01 -0.07 -0.04 2.02 1.04 1hi0P1 GLN 255 HG2 -0.19 -0.02 -0.06 -0.04 2.40 2.09 1hi0P1 GLN 255 HG3 -0.17 0.11 -0.04 -0.04 2.39 2.25 1hi0P1 GLN 255 HE21 0.06 0.01 -0.08 -0.04 6.97 6.92 1hi0P1 GLN 255 HE22 -0.17 0.01 -0.07 -0.04 7.69 7.42 1hi0P1 TYR 256 H -0.20 0.34 0.07 -0.55 8.29 7.96 1hi0P1 TYR 256 HA 0.03 0.16 0.80 -0.75 4.56 4.80 1hi0P1 TYR 256 HB2 -0.03 0.05 0.08 -0.04 3.06 3.12 1hi0P1 TYR 256 HB3 0.07 -0.05 0.12 -0.04 2.98 3.08 1hi0P1 TYR 256 HD2 -0.01 0.02 -0.02 -0.04 7.15 7.10 1hi0P1 TYR 256 HE2 0.17 0.00 -0.09 -0.04 6.85 6.89 1hi0P1 GLY 257 H -0.01 0.49 -0.10 -0.55 8.43 8.26 1hi0P1 GLY 257 HA2 -0.01 0.10 0.33 -0.51 4.01 3.93 1hi0P1 GLY 257 HA3 0.02 -0.03 0.39 -0.51 4.01 3.88 1hi0P1 ILE 258 H 0.03 0.36 -0.19 -0.55 8.25 7.90 1hi0P1 ILE 258 HA -0.00 0.12 0.71 -0.75 4.18 4.25 1hi0P1 ILE 258 HB -0.07 -0.06 -0.16 -0.04 1.89 1.56 1hi0P1 ILE 258 HG12 0.05 0.02 -0.12 -0.04 1.49 1.40 1hi0P1 ILE 258 HG13 0.12 0.06 -0.28 -0.04 1.21 1.06 1hi0P1 ILE 258 HG23 -0.07 0.01 -0.25 -0.04 0.93 0.58 1hi0P1 ILE 258 HD13 -0.01 -0.03 -0.05 -0.04 0.88 0.75 1hi0P1 ASP 259 H -0.04 0.15 0.11 -0.55 8.40 8.07 1hi0P1 ASP 259 HA -0.06 0.02 0.45 -0.75 4.63 4.28 1hi0P1 ASP 259 HB2 -0.05 0.02 0.07 -0.04 2.71 2.71 1hi0P1 ASP 259 HB3 -0.07 0.00 0.15 -0.04 2.70 2.75 1hi0P1 VAL 260 H -0.08 0.12 0.10 -0.55 8.24 7.83 1hi0P1 VAL 260 HA -0.17 0.26 0.84 -0.75 4.13 4.31 1hi0P1 VAL 260 HB -0.08 -0.11 0.10 -0.04 2.12 1.99 1hi0P1 VAL 260 HG13 -0.09 -0.01 -0.22 -0.04 0.97 0.61 1hi0P1 VAL 260 HG23 -0.11 0.15 -0.14 -0.04 0.95 0.81 1hi0P1 PRO 261 HA -0.09 -0.02 0.41 -0.51 4.44 4.23 1hi0P1 PRO 261 HB2 -0.14 0.11 -0.09 -0.04 2.28 2.12 1hi0P1 PRO 261 HB3 -0.20 -0.02 0.01 -0.04 2.02 1.77 1hi0P1 PRO 261 HG2 -1.20 0.04 -0.09 -0.04 2.03 0.75 1hi0P1 PRO 261 HG3 -0.78 0.02 -0.06 -0.04 2.03 1.17 1hi0P1 PRO 261 HD2 -0.38 0.12 0.19 -0.04 3.68 3.56 1hi0P1 PRO 261 HD3 -0.28 0.17 -0.03 -0.04 3.65 3.48 1hi0P1 ASP 262 H -0.00 0.06 0.14 -0.55 8.40 8.05 1hi0P1 ASP 262 HA -0.01 -0.00 0.41 -0.75 4.63 4.26 1hi0P1 ASP 262 HB2 0.02 -0.00 0.16 -0.04 2.71 2.84 1hi0P1 ASP 262 HB3 0.06 0.02 0.13 -0.04 2.70 2.86 1hi0P1 GLY 263 H -0.11 0.06 0.21 -0.55 8.43 8.05 1hi0P1 GLY 263 HA2 -0.09 -0.09 0.30 -0.51 4.01 3.62 1hi0P1 GLY 263 HA3 -0.25 0.13 0.58 -0.51 4.01 3.96 1hi0P1 PHE 264 H -0.29 0.13 0.06 -0.55 8.34 7.68 1hi0P1 PHE 264 HA -0.33 0.50 0.92 -0.75 4.62 4.96 1hi0P1 PHE 264 HB2 -0.23 0.05 -0.05 -0.04 3.15 2.87 1hi0P1 PHE 264 HB3 -0.15 -0.03 -0.17 -0.04 3.06 2.67 1hi0P1 PHE 264 HD2 -0.14 0.04 -0.56 -0.04 7.28 6.58 1hi0P1 PHE 264 HE2 -0.13 0.02 -0.13 -0.04 7.38 7.10 1hi0P1 PHE 264 HZ -0.15 0.00 -0.14 -0.04 7.32 6.99 1hi0P1 PHE 265 H 0.04 0.57 0.35 -0.55 8.34 8.74 1hi0P1 PHE 265 HA 0.07 0.06 1.05 -0.75 4.62 5.04 1hi0P1 PHE 265 HB2 0.06 0.08 -0.05 -0.04 3.15 3.20 1hi0P1 PHE 265 HB3 0.08 0.10 0.16 -0.04 3.06 3.36 1hi0P1 PHE 265 HD2 -0.18 0.12 -0.13 -0.04 7.28 7.06 1hi0P1 PHE 265 HE2 -0.15 0.07 -0.18 -0.04 7.38 7.08 1hi0P1 PHE 265 HZ 0.05 -0.07 -0.37 -0.04 7.32 6.90 1hi0P1 CYS 266 H 0.28 0.66 0.20 -0.55 8.50 9.10 1hi0P1 CYS 266 HA 0.25 0.09 0.59 -0.75 4.58 4.75 1hi0P1 CYS 266 HB2 0.17 -0.14 -0.07 -0.04 2.97 2.89 1hi0P1 CYS 266 HB3 0.18 0.14 -0.55 -0.04 2.97 2.69 1hi0P1 GLU 267 H 0.16 0.67 0.21 -0.55 8.60 9.10 1hi0P1 GLU 267 HA -0.12 0.09 0.34 -0.75 4.29 3.85 1hi0P1 GLU 267 HB2 0.03 -0.00 -0.16 -0.04 2.09 1.91 1hi0P1 GLU 267 HB3 -0.06 0.05 -0.24 -0.04 1.99 1.70 1hi0P1 GLU 267 HG2 -0.08 0.06 -0.14 -0.04 2.34 2.15 1hi0P1 GLU 267 HG3 0.09 0.02 -0.23 -0.04 2.34 2.18 1hi0P1 ARG 268 H -0.17 0.23 0.06 -0.55 8.46 8.03 1hi0P1 ARG 268 HA -0.04 0.09 0.50 -0.75 4.34 4.13 1hi0P1 ARG 268 HB2 -0.06 0.03 0.03 -0.04 1.90 1.86 1hi0P1 ARG 268 HB3 -0.11 0.10 0.11 -0.04 1.80 1.87 1hi0P1 ARG 268 HG2 -0.06 -0.07 -0.53 -0.04 1.67 0.97 1hi0P1 ARG 268 HG3 -0.06 0.02 -0.11 -0.04 1.67 1.48 1hi0P1 ARG 268 HD2 -0.04 0.01 -0.05 -0.04 3.22 3.09 1hi0P1 ARG 268 HD3 -0.05 0.01 -0.05 -0.04 3.22 3.08 1hi0P1 ARG 269 H -0.07 0.18 0.11 -0.55 8.46 8.14 1hi0P1 ARG 269 HA -0.06 0.23 1.16 -0.75 4.34 4.92 1hi0P1 ARG 269 HB2 -0.13 -0.00 0.07 -0.04 1.90 1.79 1hi0P1 ARG 269 HB3 -0.18 0.01 -0.10 -0.04 1.80 1.48 1hi0P1 ARG 269 HG2 -0.07 0.03 -0.20 -0.04 1.67 1.39 1hi0P1 ARG 269 HG3 -0.07 -0.05 -0.14 -0.04 1.67 1.37 1hi0P1 ARG 269 HD2 -0.03 0.06 -0.20 -0.04 3.22 3.00 1hi0P1 ARG 269 HD3 -0.07 0.01 -0.10 -0.04 3.22 3.01 1hi0P1 ARG 270 H -0.02 0.56 0.18 -0.55 8.46 8.62 1hi0P1 ARG 270 HA -0.01 0.04 0.66 -0.75 4.34 4.27 1hi0P1 ARG 270 HB2 -0.03 -0.05 -0.04 -0.04 1.90 1.74 1hi0P1 ARG 270 HB3 -0.02 0.07 -0.01 -0.04 1.80 1.80 1hi0P1 ARG 270 HG2 -0.01 0.19 -0.12 -0.04 1.67 1.68 1hi0P1 ARG 270 HG3 -0.02 -0.06 0.03 -0.04 1.67 1.57 1hi0P1 ARG 270 HD2 -0.04 -0.02 -0.08 -0.04 3.22 3.04 1hi0P1 ARG 270 HD3 -0.03 -0.02 -0.14 -0.04 3.22 2.98 1hi0P1 THR 271 H 0.02 0.10 0.18 -0.55 8.28 8.03 1hi0P1 THR 271 HA 0.16 0.21 0.97 -0.75 4.39 4.98 1hi0P1 THR 271 HB -0.09 0.04 0.03 -0.04 4.32 4.26 1hi0P1 THR 271 HG23 0.31 0.03 -0.05 -0.04 1.22 1.46 1hi0P1 ALA 272 H -0.14 0.86 0.46 -0.55 8.40 9.03 1hi0P1 ALA 272 HA -0.07 0.09 0.85 -0.75 4.34 4.46 1hi0P1 ALA 272 HB3 -0.02 0.01 0.00 -0.04 1.41 1.36 1hi0P1 MET 273 H -0.06 0.09 0.18 -0.55 8.47 8.14 1hi0P1 MET 273 HA -0.01 0.31 0.97 -0.75 4.52 5.03 1hi0P1 MET 273 HB2 -0.19 -0.19 -0.12 -0.04 2.15 1.61 1hi0P1 MET 273 HB3 -0.03 0.09 -0.13 -0.04 2.03 1.92 1hi0P1 MET 273 HG2 -0.15 -0.12 -0.31 -0.04 2.63 2.01 1hi0P1 MET 273 HG3 -0.31 -0.11 -0.05 -0.04 2.56 2.04 1hi0P1 MET 273 HE3 -0.25 0.03 -0.14 -0.04 2.10 1.69 1hi0P1 GLY 274 H 0.18 0.70 0.26 -0.55 8.43 9.02 1hi0P1 GLY 274 HA2 0.12 0.13 0.88 -0.51 4.01 4.62 1hi0P1 GLY 274 HA3 0.14 0.04 0.39 -0.51 4.01 4.07 1hi0P1 GLY 275 H 0.14 0.19 0.09 -0.55 8.43 8.31 1hi0P1 GLY 275 HA2 -0.47 0.12 0.49 -0.51 4.01 3.63 1hi0P1 GLY 275 HA3 -0.07 0.05 0.17 -0.51 4.01 3.65 1hi0P1 PRO 276 HA -0.14 0.24 0.65 -0.51 4.44 4.68 1hi0P1 PRO 276 HB2 -0.09 0.02 0.24 -0.04 2.28 2.41 1hi0P1 PRO 276 HB3 -0.16 0.07 0.28 -0.04 2.02 2.17 1hi0P1 PRO 276 HG2 -0.19 -0.20 0.24 -0.04 2.03 1.84 1hi0P1 PRO 276 HG3 -0.24 0.25 0.18 -0.04 2.03 2.18 1hi0P1 PRO 276 HD2 -0.65 -0.02 0.17 -0.04 3.68 3.14 1hi0P1 PRO 276 HD3 -0.50 0.41 0.17 -0.04 3.65 3.68 1hi0P1 PHE 277 H 0.06 0.55 0.34 -0.55 8.34 8.74 1hi0P1 PHE 277 HA -0.06 -0.00 0.36 -0.75 4.62 4.17 1hi0P1 PHE 277 HB2 -0.08 0.18 0.30 -0.04 3.15 3.51 1hi0P1 PHE 277 HB3 -0.05 -0.07 0.15 -0.04 3.06 3.05 1hi0P1 PHE 277 HD2 -0.02 0.01 -0.02 -0.04 7.28 7.21 1hi0P1 PHE 277 HE2 0.00 0.05 -0.06 -0.04 7.38 7.33 1hi0P1 PHE 277 HZ 0.01 0.03 -0.09 -0.04 7.32 7.23 1hi0P1 ALA 278 H -0.01 0.22 -0.03 -0.55 8.40 8.03 1hi0P1 ALA 278 HA -0.18 0.00 0.34 -0.75 4.34 3.76 1hi0P1 ALA 278 HB3 -0.02 0.10 0.03 -0.04 1.41 1.47 1hi0P1 LEU 279 H -0.09 0.28 -0.40 -0.55 8.37 7.61 1hi0P1 LEU 279 HA -0.06 0.08 0.60 -0.75 4.35 4.22 1hi0P1 LEU 279 HB2 -0.06 -0.11 0.11 -0.04 1.64 1.55 1hi0P1 LEU 279 HB3 -0.11 0.21 0.17 -0.04 1.64 1.87 1hi0P1 LEU 279 HG -0.10 -0.05 -0.21 -0.04 1.64 1.25 1hi0P1 LEU 279 HD13 -0.04 0.01 -0.04 -0.04 0.93 0.81 1hi0P1 LEU 279 HD23 -0.11 -0.00 -0.11 -0.04 0.89 0.63 1hi0P1 ASN 280 H -0.10 0.47 0.07 -0.55 8.53 8.43 1hi0P1 ASN 280 HA -0.03 -0.04 0.45 -0.75 4.76 4.39 1hi0P1 ASN 280 HB2 0.06 0.09 0.05 -0.04 2.88 3.04 1hi0P1 ASN 280 HB3 0.07 -0.05 0.09 -0.04 2.79 2.86 1hi0P1 ASN 280 HD21 0.05 0.04 0.04 -0.04 7.03 7.12 1hi0P1 ASN 280 HD22 0.01 -0.15 0.11 -0.04 7.74 7.67 1hi0P1 ALA 281 H -0.34 0.55 -0.37 -0.55 8.40 7.70 1hi0P1 ALA 281 HA -0.24 -0.01 0.34 -0.75 4.34 3.68 1hi0P1 ALA 281 HB3 -0.51 0.04 0.06 -0.04 1.41 0.96 1hi0P1 PRO 282 HA -0.23 0.02 0.39 -0.51 4.44 4.12 1hi0P1 PRO 282 HB2 0.45 0.01 -0.05 -0.04 2.28 2.65 1hi0P1 PRO 282 HB3 0.08 -0.01 0.03 -0.04 2.02 2.08 1hi0P1 PRO 282 HG2 0.01 0.18 0.06 -0.04 2.03 2.24 1hi0P1 PRO 282 HG3 0.03 0.03 0.10 -0.04 2.03 2.15 1hi0P1 PRO 282 HD2 -0.14 0.04 -0.30 -0.04 3.68 3.24 1hi0P1 PRO 282 HD3 -0.15 0.10 0.09 -0.04 3.65 3.65 1hi0P1 ILE 283 H 0.09 0.28 -0.61 -0.55 8.25 7.47 1hi0P1 ILE 283 HA 0.57 0.08 0.50 -0.75 4.18 4.59 1hi0P1 ILE 283 HB 0.09 0.11 0.18 -0.04 1.89 2.22 1hi0P1 ILE 283 HG12 -0.08 -0.02 -0.08 -0.04 1.49 1.27 1hi0P1 ILE 283 HG13 -0.05 0.08 -0.08 -0.04 1.21 1.11 1hi0P1 ILE 283 HG23 0.27 -0.03 -0.15 -0.04 0.93 0.98 1hi0P1 ILE 283 HD13 -0.13 -0.01 -0.14 -0.04 0.88 0.57 1hi0P1 MET 284 H 0.11 0.87 0.19 -0.55 8.47 9.09 1hi0P1 MET 284 HA 0.15 0.02 0.51 -0.75 4.52 4.45 1hi0P1 MET 284 HB2 0.07 0.10 0.21 -0.04 2.15 2.49 1hi0P1 MET 284 HB3 0.11 -0.05 0.08 -0.04 2.03 2.13 1hi0P1 MET 284 HG2 0.12 0.03 0.14 -0.04 2.63 2.87 1hi0P1 MET 284 HG3 0.10 0.00 0.18 -0.04 2.56 2.81 1hi0P1 MET 284 HE3 0.19 -0.03 0.01 -0.04 2.10 2.24 1hi0P1 ALA 285 H 0.15 0.58 -0.28 -0.55 8.40 8.30 1hi0P1 ALA 285 HA 0.12 -0.02 0.31 -0.75 4.34 4.00 1hi0P1 ALA 285 HB3 0.20 0.04 0.04 -0.04 1.41 1.65 1hi0P1 VAL 286 H 0.33 0.33 -0.54 -0.55 8.24 7.81 1hi0P1 VAL 286 HA 0.06 0.15 0.80 -0.75 4.13 4.38 1hi0P1 VAL 286 HB 0.48 0.06 0.09 -0.04 2.12 2.70 1hi0P1 VAL 286 HG13 -0.14 -0.02 -0.11 -0.04 0.97 0.67 1hi0P1 VAL 286 HG23 -0.21 0.03 -0.06 -0.04 0.95 0.68 1hi0P1 ALA 287 H 0.23 0.54 0.10 -0.55 8.40 8.73 1hi0P1 ALA 287 HA 0.04 -0.03 0.36 -0.75 4.34 3.96 1hi0P1 ALA 287 HB3 0.15 -0.02 0.10 -0.04 1.41 1.60 1hi0P1 GLN 288 H 0.08 0.57 -0.07 -0.55 8.47 8.50 1hi0P1 GLN 288 HA 0.03 -0.04 0.39 -0.75 4.36 3.99 1hi0P1 GLN 288 HB2 0.07 0.04 0.11 -0.04 2.15 2.32 1hi0P1 GLN 288 HB3 0.05 0.13 0.02 -0.04 2.02 2.18 1hi0P1 GLN 288 HG2 0.05 -0.00 -0.01 -0.04 2.40 2.40 1hi0P1 GLN 288 HG3 0.03 -0.00 -0.18 -0.04 2.39 2.20 1hi0P1 GLN 288 HE21 0.11 -0.03 -0.00 -0.04 6.97 7.00 1hi0P1 GLN 288 HE22 0.04 0.01 -0.03 -0.04 7.69 7.67 1hi0P1 PRO 289 HA -0.03 0.01 0.43 -0.51 4.44 4.34 1hi0P1 PRO 289 HB2 -0.06 0.14 0.02 -0.04 2.28 2.34 1hi0P1 PRO 289 HB3 -0.04 -0.03 -0.03 -0.04 2.02 1.88 1hi0P1 PRO 289 HG2 0.02 0.16 0.09 -0.04 2.03 2.25 1hi0P1 PRO 289 HG3 0.01 -0.02 0.03 -0.04 2.03 2.01 1hi0P1 PRO 289 HD2 0.03 0.07 -0.60 -0.04 3.68 3.14 1hi0P1 PRO 289 HD3 0.04 0.03 -0.07 -0.04 3.65 3.61 1hi0P1 VAL 290 H -0.14 0.53 -0.31 -0.55 8.24 7.77 1hi0P1 VAL 290 HA -0.25 0.12 0.43 -0.75 4.13 3.68 1hi0P1 VAL 290 HB -0.29 0.13 0.16 -0.04 2.12 2.08 1hi0P1 VAL 290 HG13 -0.47 -0.01 -0.14 -0.04 0.97 0.31 1hi0P1 VAL 290 HG23 -0.86 0.07 -0.06 -0.04 0.95 0.06 1hi0P1 ARG 291 H -0.14 0.59 -0.03 -0.55 8.46 8.33 1hi0P1 ARG 291 HA -0.50 -0.03 0.34 -0.75 4.34 3.39 1hi0P1 ARG 291 HB2 -0.01 0.16 0.21 -0.04 1.90 2.22 1hi0P1 ARG 291 HB3 0.02 -0.09 -0.03 -0.04 1.80 1.66 1hi0P1 ARG 291 HG2 -0.16 -0.08 0.01 -0.04 1.67 1.39 1hi0P1 ARG 291 HG3 -0.04 0.20 -0.02 -0.04 1.67 1.76 1hi0P1 ARG 291 HD2 0.13 -0.03 -0.01 -0.04 3.22 3.27 1hi0P1 ARG 291 HD3 0.21 -0.00 -0.04 -0.04 3.22 3.35 1hi0P1 ASN 292 H -0.06 0.64 -0.10 -0.55 8.53 8.46 1hi0P1 ASN 292 HA 0.06 -0.06 0.36 -0.75 4.76 4.37 1hi0P1 ASN 292 HB2 -0.04 0.18 0.16 -0.04 2.88 3.14 1hi0P1 ASN 292 HB3 -0.02 -0.07 0.02 -0.04 2.79 2.68 1hi0P1 ASN 292 HD21 0.01 -0.09 -0.13 -0.04 7.03 6.77 1hi0P1 ASN 292 HD22 -0.01 0.08 -0.06 -0.04 7.74 7.71 1hi0P1 LYS 293 H -0.10 0.57 -0.19 -0.55 8.42 8.15 1hi0P1 LYS 293 HA -0.05 -0.05 0.47 -0.75 4.32 3.93 1hi0P1 LYS 293 HB2 -0.05 0.02 0.12 -0.04 1.87 1.92 1hi0P1 LYS 293 HB3 -0.08 0.19 0.24 -0.04 1.79 2.10 1hi0P1 LYS 293 HG2 0.09 0.01 -0.17 -0.04 1.46 1.35 1hi0P1 LYS 293 HG3 -0.03 -0.16 0.03 -0.04 1.46 1.26 1hi0P1 LYS 293 HD2 0.00 0.09 -0.04 -0.04 1.69 1.71 1hi0P1 LYS 293 HD3 0.02 0.12 -0.06 -0.04 1.68 1.72 1hi0P1 LYS 293 HE2 0.23 0.32 0.10 -0.04 2.99 3.59 1hi0P1 LYS 293 HE3 0.06 -0.10 0.04 -0.04 2.99 2.96 1hi0P1 ILE 294 H -0.17 0.58 0.03 -0.55 8.25 8.14 1hi0P1 ILE 294 HA 0.23 -0.02 0.33 -0.75 4.18 3.97 1hi0P1 ILE 294 HB -0.13 -0.03 -0.01 -0.04 1.89 1.68 1hi0P1 ILE 294 HG12 -0.58 0.15 0.07 -0.04 1.49 1.08 1hi0P1 ILE 294 HG13 -0.70 0.05 -0.27 -0.04 1.21 0.26 1hi0P1 ILE 294 HG23 -0.21 0.04 0.02 -0.04 0.93 0.73 1hi0P1 ILE 294 HD13 -0.90 -0.03 -0.09 -0.04 0.88 -0.18 1hi0P1 TYR 295 H -0.17 0.60 -0.37 -0.55 8.29 7.80 1hi0P1 TYR 295 HA 0.08 0.01 0.26 -0.75 4.56 4.16 1hi0P1 TYR 295 HB2 -0.04 0.06 0.02 -0.04 3.06 3.07 1hi0P1 TYR 295 HB3 -0.02 -0.11 -0.01 -0.04 2.98 2.80 1hi0P1 TYR 295 HD2 0.06 -0.07 -0.32 -0.04 7.15 6.78 1hi0P1 TYR 295 HE2 0.00 0.03 -0.07 -0.04 6.85 6.77 1hi0P1 SER 296 H 0.00 0.42 -0.36 -0.55 8.46 7.98 1hi0P1 SER 296 HA -0.08 0.07 0.73 -0.75 4.49 4.45 1hi0P1 SER 296 HB2 -0.06 -0.07 0.13 -0.04 3.95 3.90 1hi0P1 SER 296 HB3 -0.06 -0.05 0.11 -0.04 3.93 3.90 1hi0P1 LYS 297 H -0.12 0.24 0.21 -0.55 8.42 8.20 1hi0P1 LYS 297 HA -0.18 -0.02 0.33 -0.75 4.32 3.70 1hi0P1 LYS 297 HB2 -0.24 -0.05 0.17 -0.04 1.87 1.71 1hi0P1 LYS 297 HB3 -0.51 0.10 0.06 -0.04 1.79 1.40 1hi0P1 LYS 297 HG2 -1.45 0.02 -0.22 -0.04 1.46 -0.22 1hi0P1 LYS 297 HG3 -0.36 -0.05 0.09 -0.04 1.46 1.10 1hi0P1 LYS 297 HD2 -0.18 -0.02 0.03 -0.04 1.69 1.48 1hi0P1 LYS 297 HD3 -0.37 0.05 -0.03 -0.04 1.68 1.29 1hi0P1 LYS 297 HE2 -0.04 0.00 -0.03 -0.04 2.99 2.89 1hi0P1 LYS 297 HE3 -0.08 -0.03 0.01 -0.04 2.99 2.84 1hi0P1 TYR 298 H 0.00 0.32 -0.37 -0.55 8.29 7.70 1hi0P1 TYR 298 HA 0.06 0.19 0.97 -0.75 4.56 5.03 1hi0P1 TYR 298 HB2 0.17 0.06 0.15 -0.04 3.06 3.40 1hi0P1 TYR 298 HB3 -0.03 -0.06 0.17 -0.04 2.98 3.02 1hi0P1 TYR 298 HD2 0.17 0.01 -0.14 -0.04 7.15 7.16 1hi0P1 TYR 298 HE2 0.21 0.07 -0.07 -0.04 6.85 7.02 1hi0P1 ALA 299 H 0.05 0.58 -0.30 -0.55 8.40 8.18 1hi0P1 ALA 299 HA 0.15 -0.12 0.42 -0.75 4.34 4.04 1hi0P1 ALA 299 HB3 0.06 0.08 0.18 -0.04 1.41 1.68 1hi0P1 TYR 300 H 0.16 0.13 -0.29 -0.55 8.29 7.74 1hi0P1 TYR 300 HA 0.03 0.01 0.35 -0.75 4.56 4.19 1hi0P1 TYR 300 HB2 -0.01 0.00 0.04 -0.04 3.06 3.05 1hi0P1 TYR 300 HB3 -0.05 0.16 0.00 -0.04 2.98 3.04 1hi0P1 TYR 300 HD2 -0.03 0.02 -0.13 -0.04 7.15 6.98 1hi0P1 TYR 300 HE2 0.09 -0.09 -0.03 -0.04 6.85 6.78 1hi0P1 THR 301 H -0.10 0.34 -0.02 -0.55 8.28 7.94 1hi0P1 THR 301 HA -0.13 0.24 1.18 -0.75 4.39 4.94 1hi0P1 THR 301 HB -0.34 -0.14 0.07 -0.04 4.32 3.87 1hi0P1 THR 301 HG23 0.03 0.09 0.09 -0.04 1.22 1.39 1hi0P1 PHE 302 H -0.11 0.29 -0.03 -0.55 8.34 7.93 1hi0P1 PHE 302 HA 0.05 0.32 1.16 -0.75 4.62 5.40 1hi0P1 PHE 302 HB2 0.01 0.19 -0.16 -0.04 3.15 3.14 1hi0P1 PHE 302 HB3 0.09 -0.10 -0.10 -0.04 3.06 2.91 1hi0P1 PHE 302 HD2 -0.14 0.18 -0.06 -0.04 7.28 7.22 1hi0P1 PHE 302 HE2 -1.20 -0.05 -0.11 -0.04 7.38 5.98 1hi0P1 PHE 302 HZ -1.15 -0.06 -0.12 -0.04 7.32 5.94 1hi0P1 HIS 303 H -0.00 0.29 0.17 -0.55 8.41 8.32 1hi0P1 HIS 303 HA -0.31 0.10 0.91 -0.75 4.63 4.57 1hi0P1 HIS 303 HB2 0.07 0.08 0.22 -0.04 3.26 3.59 1hi0P1 HIS 303 HB3 -0.06 0.00 0.29 -0.04 3.20 3.39 1hi0P1 HIS 303 HD2 -0.47 -0.02 -0.02 -0.04 6.97 6.40 1hi0P1 HIS 303 HE1 -0.05 -0.09 -0.12 -0.04 7.75 7.44 1hi0P1 HIS 304 H -0.53 0.30 0.17 -0.55 8.41 7.80 1hi0P1 HIS 304 HA -0.16 0.09 0.85 -0.75 4.63 4.66 1hi0P1 HIS 304 HB2 -0.19 0.05 -0.06 -0.04 3.26 3.02 1hi0P1 HIS 304 HB3 -0.07 -0.08 -0.08 -0.04 3.20 2.92 1hi0P1 HIS 304 HD2 0.09 -0.01 -0.18 -0.04 6.97 6.82 1hi0P1 HIS 304 HE1 -0.08 0.14 -0.37 -0.04 7.75 7.40 1hi0P1 THR 305 H -0.05 0.00 0.11 -0.55 8.28 7.79 1hi0P1 THR 305 HA 0.09 0.33 1.05 -0.75 4.39 5.10 1hi0P1 THR 305 HB 0.02 -0.04 -0.00 -0.04 4.32 4.26 1hi0P1 THR 305 HG23 -0.19 0.02 -0.27 -0.04 1.22 0.75 1hi0P1 THR 306 H -0.02 0.04 0.21 -0.55 8.28 7.96 1hi0P1 THR 306 HA 0.02 0.38 1.06 -0.75 4.39 5.09 1hi0P1 THR 306 HB -0.03 -0.08 0.19 -0.04 4.32 4.36 1hi0P1 THR 306 HG23 -0.03 0.04 -0.03 -0.04 1.22 1.16 1hi0P1 ARG 307 H -0.05 0.22 0.17 -0.55 8.46 8.25 1hi0P1 ARG 307 HA -0.17 0.16 0.35 -0.75 4.34 3.93 1hi0P1 ARG 307 HB2 -0.01 0.00 0.05 -0.04 1.90 1.90 1hi0P1 ARG 307 HB3 0.03 0.11 -0.07 -0.04 1.80 1.83 1hi0P1 ARG 307 HG2 -0.08 0.05 -0.05 -0.04 1.67 1.56 1hi0P1 ARG 307 HG3 -0.05 -0.07 0.12 -0.04 1.67 1.63 1hi0P1 ARG 307 HD2 -0.05 -0.09 -0.12 -0.04 3.22 2.93 1hi0P1 ARG 307 HD3 -0.08 0.11 0.06 -0.04 3.22 3.26 1hi0P1 LEU 308 H -0.03 0.03 -0.15 -0.55 8.37 7.67 1hi0P1 LEU 308 HA 0.02 0.16 0.55 -0.75 4.35 4.32 1hi0P1 LEU 308 HB2 -0.02 -0.06 0.08 -0.04 1.64 1.60 1hi0P1 LEU 308 HB3 -0.01 0.07 -0.01 -0.04 1.64 1.65 1hi0P1 LEU 308 HG -0.00 0.07 0.03 -0.04 1.64 1.70 1hi0P1 LEU 308 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.82 1hi0P1 LEU 308 HD23 -0.01 0.01 0.01 -0.04 0.89 0.86 1hi0P1 ASN 309 H -0.04 -0.06 -0.25 -0.55 8.53 7.64 1hi0P1 ASN 309 HA -0.02 0.09 0.38 -0.75 4.76 4.47 1hi0P1 ASN 309 HB2 -0.02 -0.09 0.19 -0.04 2.88 2.92 1hi0P1 ASN 309 HB3 -0.05 0.10 0.23 -0.04 2.79 3.04 1hi0P1 ASN 309 HD21 0.04 0.20 0.03 -0.04 7.03 7.25 1hi0P1 ASN 309 HD22 0.01 -0.07 0.07 -0.04 7.74 7.72 1hi0P1 LYS 310 H -0.12 0.33 -0.27 -0.55 8.42 7.80 1hi0P1 LYS 310 HA -0.15 0.12 0.36 -0.75 4.32 3.89 1hi0P1 LYS 310 HB2 -0.66 0.07 0.08 -0.04 1.87 1.31 1hi0P1 LYS 310 HB3 -0.69 -0.00 -0.08 -0.04 1.79 0.98 1hi0P1 LYS 310 HG2 -0.18 0.03 -0.08 -0.04 1.46 1.19 1hi0P1 LYS 310 HG3 -0.21 -0.03 -0.01 -0.04 1.46 1.17 1hi0P1 LYS 310 HD2 -0.64 -0.08 -0.09 -0.04 1.69 0.83 1hi0P1 LYS 310 HD3 -0.67 0.05 -0.08 -0.04 1.68 0.94 1hi0P1 LYS 310 HE2 -0.33 -0.00 -0.17 -0.04 2.99 2.45 1hi0P1 LYS 310 HE3 -0.22 -0.09 -0.28 -0.04 2.99 2.35 1hi0P1 GLU 311 H 0.11 0.42 -0.08 -0.55 8.60 8.50 1hi0P1 GLU 311 HA 0.15 -0.01 0.27 -0.75 4.29 3.95 1hi0P1 GLU 311 HB2 0.17 0.09 0.24 -0.04 2.09 2.55 1hi0P1 GLU 311 HB3 0.03 0.03 0.18 -0.04 1.99 2.19 1hi0P1 GLU 311 HG2 -0.03 0.05 -0.05 -0.04 2.34 2.27 1hi0P1 GLU 311 HG3 -0.06 0.05 0.07 -0.04 2.34 2.35 1hi0P1 GLU 312 H -0.02 0.55 -0.21 -0.55 8.60 8.37 1hi0P1 GLU 312 HA -0.04 -0.03 0.36 -0.75 4.29 3.82 1hi0P1 GLU 312 HB2 -0.03 0.16 0.16 -0.04 2.09 2.34 1hi0P1 GLU 312 HB3 -0.01 -0.04 0.04 -0.04 1.99 1.95 1hi0P1 GLU 312 HG2 -0.01 -0.07 0.05 -0.04 2.34 2.27 1hi0P1 GLU 312 HG3 -0.01 0.27 0.11 -0.04 2.34 2.67 1hi0P1 LYS 313 H -0.13 0.32 -0.09 -0.55 8.42 7.96 1hi0P1 LYS 313 HA -0.04 -0.00 0.32 -0.75 4.32 3.84 1hi0P1 LYS 313 HB2 -0.43 0.02 0.09 -0.04 1.87 1.51 1hi0P1 LYS 313 HB3 -0.35 -0.01 0.01 -0.04 1.79 1.39 1hi0P1 LYS 313 HG2 -0.09 -0.08 0.07 -0.04 1.46 1.32 1hi0P1 LYS 313 HG3 -0.15 0.13 0.18 -0.04 1.46 1.57 1hi0P1 LYS 313 HD2 -0.35 -0.06 0.05 -0.04 1.69 1.29 1hi0P1 LYS 313 HD3 -1.07 0.08 0.10 -0.04 1.68 0.75 1hi0P1 LYS 313 HE2 -0.09 -0.13 0.04 -0.04 2.99 2.77 1hi0P1 LYS 313 HE3 -0.07 -0.06 0.02 -0.04 2.99 2.84 1hi0P1 VAL 314 H -0.46 0.44 -0.12 -0.55 8.24 7.54 1hi0P1 VAL 314 HA -2.12 -0.00 0.33 -0.75 4.13 1.58 1hi0P1 VAL 314 HB -0.31 0.07 -0.06 -0.04 2.12 1.78 1hi0P1 VAL 314 HG13 -0.34 -0.01 -0.22 -0.04 0.97 0.37 1hi0P1 VAL 314 HG23 -0.64 -0.01 -0.12 -0.04 0.95 0.14 1hi0P1 LYS 315 H -0.25 0.65 -0.19 -0.55 8.42 8.07 1hi0P1 LYS 315 HA -0.11 0.27 0.26 -0.75 4.32 3.99 1hi0P1 LYS 315 HB2 -0.08 0.17 0.15 -0.04 1.87 2.06 1hi0P1 LYS 315 HB3 -0.04 -0.13 0.03 -0.04 1.79 1.62 1hi0P1 LYS 315 HG2 -0.11 0.13 0.13 -0.04 1.46 1.58 1hi0P1 LYS 315 HG3 -0.08 -0.01 -0.03 -0.04 1.46 1.30 1hi0P1 LYS 315 HD2 -0.03 -0.14 0.03 -0.04 1.69 1.50 1hi0P1 LYS 315 HD3 -0.03 0.02 0.15 -0.04 1.68 1.79 1hi0P1 LYS 315 HE2 -0.06 0.33 0.14 -0.04 2.99 3.35 1hi0P1 LYS 315 HE3 -0.05 -0.17 0.08 -0.04 2.99 2.81 1hi0P1 GLU 316 H -0.15 0.39 -0.33 -0.55 8.60 7.96 1hi0P1 GLU 316 HA 0.08 0.03 0.49 -0.75 4.29 4.13 1hi0P1 GLU 316 HB2 0.13 0.16 0.05 -0.04 2.09 2.39 1hi0P1 GLU 316 HB3 0.14 -0.11 0.16 -0.04 1.99 2.13 1hi0P1 GLU 316 HG2 0.04 -0.08 -0.03 -0.04 2.34 2.23 1hi0P1 GLU 316 HG3 -0.00 0.26 0.07 -0.04 2.34 2.63 1hi0P1 TRP 317 H 0.10 0.45 -0.70 -0.55 7.97 7.28 1hi0P1 TRP 317 HA 0.08 0.13 0.85 -0.75 4.62 4.92 1hi0P1 TRP 317 HB2 0.07 0.09 -0.08 -0.04 3.23 3.28 1hi0P1 TRP 317 HB3 0.11 -0.10 0.07 -0.04 3.23 3.27 1hi0P1 TRP 317 HD1 0.07 0.05 -0.50 -0.04 7.22 6.80 1hi0P1 TRP 317 HE1 0.20 0.02 -0.19 -0.04 10.20 10.19 1hi0P1 TRP 317 HE3 0.03 -0.00 -0.09 -0.04 7.59 7.48 1hi0P1 TRP 317 HZ2 -0.03 0.05 -0.30 -0.04 7.44 7.13 1hi0P1 TRP 317 HZ3 -0.10 -0.08 -0.42 -0.04 7.13 6.49 1hi0P1 TRP 317 HH2 -0.22 0.09 -0.24 -0.04 7.19 6.78 1hi0P1 SER 318 H 0.29 0.77 0.45 -0.55 8.46 9.43 1hi0P1 SER 318 HA 0.19 0.08 0.68 -0.75 4.49 4.69 1hi0P1 SER 318 HB2 0.20 0.11 -0.03 -0.04 3.95 4.19 1hi0P1 SER 318 HB3 0.17 -0.06 0.04 -0.04 3.93 4.03 1hi0P1 LEU 319 H 0.32 0.28 0.23 -0.55 8.37 8.64 1hi0P1 LEU 319 HA 0.19 0.16 0.73 -0.75 4.35 4.67 1hi0P1 LEU 319 HB2 -0.12 0.07 -0.10 -0.04 1.64 1.44 1hi0P1 LEU 319 HB3 0.20 -0.08 0.04 -0.04 1.64 1.76 1hi0P1 LEU 319 HG 0.17 -0.00 -0.35 -0.04 1.64 1.42 1hi0P1 LEU 319 HD13 0.15 -0.05 0.03 -0.04 0.93 1.03 1hi0P1 LEU 319 HD23 -0.80 -0.01 -0.21 -0.04 0.89 -0.17 1hi0P1 CYS 320 H 0.28 0.24 0.07 -0.55 8.50 8.54 1hi0P1 CYS 320 HA 0.41 0.32 0.93 -0.75 4.58 5.48 1hi0P1 CYS 320 HB2 0.57 0.07 -0.16 -0.04 2.97 3.42 1hi0P1 CYS 320 HB3 0.37 -0.05 0.04 -0.04 2.97 3.29 1hi0P1 VAL 321 H 0.18 0.86 0.27 -0.55 8.24 9.00 1hi0P1 VAL 321 HA -0.31 0.19 1.03 -0.75 4.13 4.28 1hi0P1 VAL 321 HB 0.16 -0.03 0.11 -0.04 2.12 2.32 1hi0P1 VAL 321 HG13 -0.27 0.00 -0.20 -0.04 0.97 0.47 1hi0P1 VAL 321 HG23 -0.22 0.00 -0.13 -0.04 0.95 0.56 1hi0P1 ALA 322 H -0.05 0.22 0.17 -0.55 8.40 8.19 1hi0P1 ALA 322 HA 0.04 0.21 0.94 -0.75 4.34 4.78 1hi0P1 ALA 322 HB3 0.12 0.02 0.20 -0.04 1.41 1.72 1hi0P1 THR 323 H -0.04 0.31 0.24 -0.55 8.28 8.25 1hi0P1 THR 323 HA 0.08 0.19 0.68 -0.75 4.39 4.59 1hi0P1 THR 323 HB 0.13 -0.06 0.08 -0.04 4.32 4.43 1hi0P1 THR 323 HG23 -0.07 0.00 -0.11 -0.04 1.22 1.01 1hi0P1 ASP 324 H 0.14 0.29 0.30 -0.55 8.40 8.58 1hi0P1 ASP 324 HA 0.12 0.08 0.70 -0.75 4.63 4.77 1hi0P1 ASP 324 HB2 0.06 0.04 -0.40 -0.04 2.71 2.37 1hi0P1 ASP 324 HB3 0.04 0.06 -0.38 -0.04 2.70 2.38 1hi0P1 VAL 325 H 0.13 0.18 0.13 -0.55 8.24 8.14 1hi0P1 VAL 325 HA 0.13 0.42 1.14 -0.75 4.13 5.06 1hi0P1 VAL 325 HB 0.18 -0.14 0.08 -0.04 2.12 2.20 1hi0P1 VAL 325 HG13 0.18 0.04 -0.17 -0.04 0.97 0.98 1hi0P1 VAL 325 HG23 0.22 0.04 -0.14 -0.04 0.95 1.03 1hi0P1 SER 326 H 0.11 0.42 0.16 -0.55 8.46 8.59 1hi0P1 SER 326 HA 0.12 0.02 0.53 -0.75 4.49 4.41 1hi0P1 SER 326 HB2 0.14 -0.02 -0.02 -0.04 3.95 4.01 1hi0P1 SER 326 HB3 0.09 0.06 0.03 -0.04 3.93 4.07 1hi0P1 ASP 327 H 0.12 0.15 0.18 -0.55 8.40 8.30 1hi0P1 ASP 327 HA 0.10 -0.01 0.36 -0.75 4.63 4.31 1hi0P1 ASP 327 HB2 0.09 0.01 -0.07 -0.04 2.71 2.70 1hi0P1 ASP 327 HB3 0.17 0.17 0.03 -0.04 2.70 3.03 1hi0P1 HIS 328 H 0.25 0.16 -0.23 -0.55 8.41 8.05 1hi0P1 HIS 328 HA 0.22 0.14 0.21 -0.75 4.63 4.45 1hi0P1 HIS 328 HB2 0.13 0.08 0.01 -0.04 3.26 3.44 1hi0P1 HIS 328 HB3 0.09 -0.07 0.10 -0.04 3.20 3.28 1hi0P1 HIS 328 HD2 0.17 0.04 -0.08 -0.04 6.97 7.05 1hi0P1 HIS 328 HE1 0.04 -0.02 -0.02 -0.04 7.75 7.71 1hi0P1 ASP 329 H 0.10 0.06 -0.13 -0.55 8.40 7.89 1hi0P1 ASP 329 HA -0.22 0.03 0.43 -0.75 4.63 4.12 1hi0P1 ASP 329 HB2 -0.01 -0.03 0.09 -0.04 2.71 2.71 1hi0P1 ASP 329 HB3 -0.08 0.18 0.01 -0.04 2.70 2.77 1hi0P1 THR 330 H -0.03 0.09 -0.15 -0.55 8.28 7.64 1hi0P1 THR 330 HA -0.06 0.39 0.67 -0.75 4.39 4.63 1hi0P1 THR 330 HB -0.13 0.03 0.12 -0.04 4.32 4.31 1hi0P1 THR 330 HG23 -0.08 -0.03 0.03 -0.04 1.22 1.10 1hi0P1 PHE 331 H 0.12 0.25 -0.32 -0.55 8.34 7.83 1hi0P1 PHE 331 HA 0.02 0.11 0.60 -0.75 4.62 4.60 1hi0P1 PHE 331 HB2 0.02 0.11 0.08 -0.04 3.15 3.33 1hi0P1 PHE 331 HB3 0.03 -0.05 -0.06 -0.04 3.06 2.95 1hi0P1 PHE 331 HD2 0.05 0.13 -0.02 -0.04 7.28 7.39 1hi0P1 PHE 331 HE2 0.05 0.02 -0.17 -0.04 7.38 7.24 1hi0P1 PHE 331 HZ 0.05 -0.00 -0.07 -0.04 7.32 7.25 1hi0P1 TRP 332 H 0.15 0.24 -0.12 -0.55 7.97 7.69 1hi0P1 TRP 332 HA -0.18 0.01 0.29 -0.75 4.62 3.99 1hi0P1 TRP 332 HB2 -0.33 0.04 0.13 -0.04 3.23 3.03 1hi0P1 TRP 332 HB3 -0.18 -0.11 0.00 -0.04 3.23 2.90 1hi0P1 TRP 332 HD1 -0.15 -0.02 -0.08 -0.04 7.22 6.93 1hi0P1 TRP 332 HE1 -0.00 0.26 -0.26 -0.04 10.20 10.15 1hi0P1 TRP 332 HE3 -0.17 -0.04 -0.51 -0.04 7.59 6.83 1hi0P1 TRP 332 HZ2 -0.05 0.00 -0.14 -0.04 7.44 7.21 1hi0P1 TRP 332 HZ3 -0.14 0.03 -0.15 -0.04 7.13 6.83 1hi0P1 TRP 332 HH2 -0.07 -0.01 -0.18 -0.04 7.19 6.89 1hi0P1 PRO 333 HA -0.32 0.09 0.53 -0.51 4.44 4.22 1hi0P1 PRO 333 HB2 -2.42 -0.19 -0.02 -0.04 2.28 -0.38 1hi0P1 PRO 333 HB3 -0.54 0.25 0.10 -0.04 2.02 1.80 1hi0P1 PRO 333 HG2 -1.89 -0.15 0.10 -0.04 2.03 0.05 1hi0P1 PRO 333 HG3 -1.33 0.06 0.01 -0.04 2.03 0.73 1hi0P1 PRO 333 HD2 -1.43 0.01 0.11 -0.04 3.68 2.33 1hi0P1 PRO 333 HD3 -0.47 0.25 0.10 -0.04 3.65 3.49 1hi0P1 GLY 334 H -0.14 0.24 0.19 -0.55 8.43 8.17 1hi0P1 GLY 334 HA2 -0.03 0.14 0.38 -0.51 4.01 3.99 1hi0P1 GLY 334 HA3 -0.02 0.12 0.36 -0.51 4.01 3.95 1hi0P1 TRP 335 H -0.17 0.13 -0.27 -0.55 7.97 7.11 1hi0P1 TRP 335 HA -0.09 0.08 0.37 -0.75 4.62 4.23 1hi0P1 TRP 335 HB2 -0.12 -0.02 0.00 -0.04 3.23 3.06 1hi0P1 TRP 335 HB3 -0.08 0.12 0.03 -0.04 3.23 3.26 1hi0P1 TRP 335 HD1 -0.08 0.02 -0.08 -0.04 7.22 7.05 1hi0P1 TRP 335 HE1 -0.04 0.42 -0.02 -0.04 10.20 10.52 1hi0P1 TRP 335 HE3 -0.30 -0.03 -0.48 -0.04 7.59 6.73 1hi0P1 TRP 335 HZ2 0.04 0.10 -0.17 -0.04 7.44 7.37 1hi0P1 TRP 335 HZ3 -0.94 -0.02 -0.15 -0.04 7.13 5.99 1hi0P1 TRP 335 HH2 -0.92 -0.03 -0.18 -0.04 7.19 6.02 1hi0P1 LEU 336 H -1.37 0.36 -0.41 -0.55 8.37 6.39 1hi0P1 LEU 336 HA -0.49 -0.00 0.34 -0.75 4.35 3.44 1hi0P1 LEU 336 HB2 -1.85 -0.03 0.03 -0.04 1.64 -0.25 1hi0P1 LEU 336 HB3 -1.72 0.18 -0.01 -0.04 1.64 0.05 1hi0P1 LEU 336 HG -0.32 -0.01 -0.18 -0.04 1.64 1.09 1hi0P1 LEU 336 HD13 -0.58 -0.02 -0.02 -0.04 0.93 0.26 1hi0P1 LEU 336 HD23 -0.52 0.01 -0.10 -0.04 0.89 0.23 1hi0P1 ARG 337 H -0.38 0.33 -0.32 -0.55 8.46 7.54 1hi0P1 ARG 337 HA 0.28 -0.00 0.31 -0.75 4.34 4.18 1hi0P1 ARG 337 HB2 0.40 -0.01 0.06 -0.04 1.90 2.32 1hi0P1 ARG 337 HB3 0.08 0.29 0.21 -0.04 1.80 2.33 1hi0P1 ARG 337 HG2 0.12 -0.08 -0.46 -0.04 1.67 1.21 1hi0P1 ARG 337 HG3 0.11 -0.03 -0.04 -0.04 1.67 1.66 1hi0P1 ARG 337 HD2 0.03 0.04 -0.08 -0.04 3.22 3.18 1hi0P1 ARG 337 HD3 0.06 0.13 -0.05 -0.04 3.22 3.32 1hi0P1 ASP 338 H 0.02 0.45 -0.10 -0.55 8.40 8.22 1hi0P1 ASP 338 HA 0.07 0.04 0.38 -0.75 4.63 4.36 1hi0P1 ASP 338 HB2 0.08 0.06 0.11 -0.04 2.71 2.93 1hi0P1 ASP 338 HB3 0.06 -0.04 0.02 -0.04 2.70 2.70 1hi0P1 LEU 339 H 0.04 0.62 -0.21 -0.55 8.37 8.27 1hi0P1 LEU 339 HA 0.05 -0.01 0.39 -0.75 4.35 4.03 1hi0P1 LEU 339 HB2 0.15 0.06 0.08 -0.04 1.64 1.88 1hi0P1 LEU 339 HB3 0.00 0.08 0.12 -0.04 1.64 1.81 1hi0P1 LEU 339 HG 0.06 -0.04 -0.00 -0.04 1.64 1.63 1hi0P1 LEU 339 HD13 0.10 -0.01 -0.04 -0.04 0.93 0.94 1hi0P1 LEU 339 HD23 0.06 -0.01 -0.37 -0.04 0.89 0.52 1hi0P1 ILE 340 H 0.00 0.73 -0.11 -0.55 8.25 8.32 1hi0P1 ILE 340 HA -0.05 -0.04 0.35 -0.75 4.18 3.69 1hi0P1 ILE 340 HB 0.11 0.17 0.13 -0.04 1.89 2.26 1hi0P1 ILE 340 HG12 0.03 -0.07 -0.04 -0.04 1.49 1.37 1hi0P1 ILE 340 HG13 -0.01 0.23 0.08 -0.04 1.21 1.46 1hi0P1 ILE 340 HG23 -0.17 -0.02 -0.15 -0.04 0.93 0.54 1hi0P1 ILE 340 HD13 0.22 -0.03 -0.14 -0.04 0.88 0.88 1hi0P1 CYS 341 H 0.05 0.61 -0.20 -0.55 8.50 8.42 1hi0P1 CYS 341 HA -0.04 0.00 0.34 -0.75 4.58 4.14 1hi0P1 CYS 341 HB2 0.07 0.10 0.13 -0.04 2.97 3.22 1hi0P1 CYS 341 HB3 0.06 -0.05 -0.07 -0.04 2.97 2.87 1hi0P1 ASP 342 H 0.02 0.61 -0.15 -0.55 8.40 8.33 1hi0P1 ASP 342 HA 0.01 0.00 0.43 -0.75 4.63 4.32 1hi0P1 ASP 342 HB2 0.03 0.02 0.13 -0.04 2.71 2.85 1hi0P1 ASP 342 HB3 0.02 0.11 0.20 -0.04 2.70 2.99 1hi0P1 GLU 343 H -0.02 0.73 -0.03 -0.55 8.60 8.73 1hi0P1 GLU 343 HA -0.01 -0.04 0.42 -0.75 4.29 3.91 1hi0P1 GLU 343 HB2 -0.00 0.03 0.11 -0.04 2.09 2.18 1hi0P1 GLU 343 HB3 -0.07 0.09 0.07 -0.04 1.99 2.04 1hi0P1 GLU 343 HG2 0.01 0.01 0.10 -0.04 2.34 2.43 1hi0P1 GLU 343 HG3 -0.02 0.01 -0.07 -0.04 2.34 2.21 1hi0P1 LEU 344 H -0.14 0.62 -0.24 -0.55 8.37 8.06 1hi0P1 LEU 344 HA -0.25 0.02 0.38 -0.75 4.35 3.75 1hi0P1 LEU 344 HB2 -0.23 0.14 0.13 -0.04 1.64 1.65 1hi0P1 LEU 344 HB3 -0.40 -0.06 -0.08 -0.04 1.64 1.06 1hi0P1 LEU 344 HG -0.63 0.04 -0.02 -0.04 1.64 0.99 1hi0P1 LEU 344 HD13 -0.72 -0.03 -0.13 -0.04 0.93 0.01 1hi0P1 LEU 344 HD23 -1.38 -0.01 -0.04 -0.04 0.89 -0.58 1hi0P1 LEU 345 H -0.03 0.52 -0.17 -0.55 8.37 8.15 1hi0P1 LEU 345 HA 0.04 0.10 0.46 -0.75 4.35 4.20 1hi0P1 LEU 345 HB2 0.01 0.14 0.22 -0.04 1.64 1.98 1hi0P1 LEU 345 HB3 0.03 -0.06 0.03 -0.04 1.64 1.59 1hi0P1 LEU 345 HG 0.02 0.17 0.06 -0.04 1.64 1.85 1hi0P1 LEU 345 HD13 0.03 -0.04 -0.03 -0.04 0.93 0.85 1hi0P1 LEU 345 HD23 0.04 0.01 -0.02 -0.04 0.89 0.88 1hi0P1 ASN 346 H 0.00 0.53 -0.06 -0.55 8.53 8.46 1hi0P1 ASN 346 HA 0.02 -0.03 0.36 -0.75 4.76 4.35 1hi0P1 ASN 346 HB2 0.01 0.14 0.20 -0.04 2.88 3.19 1hi0P1 ASN 346 HB3 0.02 -0.08 0.02 -0.04 2.79 2.70 1hi0P1 ASN 346 HD21 0.01 -0.07 -0.08 -0.04 7.03 6.85 1hi0P1 ASN 346 HD22 0.01 -0.04 -0.02 -0.04 7.74 7.65 1hi0P1 MET 347 H 0.02 0.67 -0.09 -0.55 8.47 8.53 1hi0P1 MET 347 HA 0.05 -0.08 0.34 -0.75 4.52 4.07 1hi0P1 MET 347 HB2 0.13 0.10 0.06 -0.04 2.15 2.40 1hi0P1 MET 347 HB3 0.14 -0.04 0.07 -0.04 2.03 2.16 1hi0P1 MET 347 HG2 0.05 -0.11 0.02 -0.04 2.63 2.55 1hi0P1 MET 347 HG3 0.01 0.25 0.05 -0.04 2.56 2.83 1hi0P1 MET 347 HE3 0.21 0.01 -0.14 -0.04 2.10 2.13 1hi0P1 GLY 348 H 0.06 0.45 -0.81 -0.55 8.43 7.58 1hi0P1 GLY 348 HA2 0.01 0.01 0.31 -0.51 4.01 3.83 1hi0P1 GLY 348 HA3 -0.01 0.04 0.80 -0.51 4.01 4.34 1hi0P1 TYR 349 H 0.19 0.44 0.14 -0.55 8.29 8.51 1hi0P1 TYR 349 HA -0.19 0.22 0.61 -0.75 4.56 4.45 1hi0P1 TYR 349 HB2 -0.10 0.07 -0.13 -0.04 3.06 2.86 1hi0P1 TYR 349 HB3 -0.15 -0.07 -0.14 -0.04 2.98 2.58 1hi0P1 TYR 349 HD2 -0.41 -0.01 -0.12 -0.04 7.15 6.57 1hi0P1 TYR 349 HE2 -0.34 0.03 -0.02 -0.04 6.85 6.48 1hi0P1 ALA 350 H -0.33 0.57 0.24 -0.55 8.40 8.33 1hi0P1 ALA 350 HA -0.14 0.12 0.45 -0.75 4.34 4.01 1hi0P1 ALA 350 HB3 -0.88 0.01 0.23 -0.04 1.41 0.73 1hi0P1 PRO 351 HA 0.03 0.10 0.41 -0.51 4.44 4.47 1hi0P1 PRO 351 HB2 0.14 -0.07 0.12 -0.04 2.28 2.43 1hi0P1 PRO 351 HB3 0.08 0.04 0.07 -0.04 2.02 2.17 1hi0P1 PRO 351 HG2 0.07 0.02 0.11 -0.04 2.03 2.18 1hi0P1 PRO 351 HG3 0.04 0.11 0.12 -0.04 2.03 2.26 1hi0P1 PRO 351 HD2 0.07 0.04 0.25 -0.04 3.68 4.00 1hi0P1 PRO 351 HD3 -0.00 0.38 0.24 -0.04 3.65 4.23 1hi0P1 TRP 352 H 0.20 0.18 -0.14 -0.55 7.97 7.66 1hi0P1 TRP 352 HA 0.07 0.08 0.23 -0.75 4.62 4.25 1hi0P1 TRP 352 HB2 0.07 -0.02 0.06 -0.04 3.23 3.30 1hi0P1 TRP 352 HB3 0.05 0.02 0.04 -0.04 3.23 3.30 1hi0P1 TRP 352 HD1 0.05 0.00 0.06 -0.04 7.22 7.29 1hi0P1 TRP 352 HE1 0.02 0.15 0.09 -0.04 10.20 10.42 1hi0P1 TRP 352 HE3 0.19 0.00 -0.47 -0.04 7.59 7.26 1hi0P1 TRP 352 HZ2 -0.07 0.27 -0.09 -0.04 7.44 7.52 1hi0P1 TRP 352 HZ3 0.51 -0.01 -0.17 -0.04 7.13 7.42 1hi0P1 TRP 352 HH2 -0.16 0.09 -0.08 -0.04 7.19 7.00 1hi0P1 TRP 353 H -1.04 0.21 -0.31 -0.55 7.97 6.28 1hi0P1 TRP 353 HA 0.05 0.03 0.39 -0.75 4.62 4.34 1hi0P1 TRP 353 HB2 -1.70 -0.00 0.05 -0.04 3.23 1.54 1hi0P1 TRP 353 HB3 -0.62 0.18 0.04 -0.04 3.23 2.78 1hi0P1 TRP 353 HD1 0.28 -0.02 -0.06 -0.04 7.22 7.37 1hi0P1 TRP 353 HE1 0.38 0.38 -0.11 -0.04 10.20 10.80 1hi0P1 TRP 353 HE3 -0.10 0.08 -0.48 -0.04 7.59 7.05 1hi0P1 TRP 353 HZ2 0.22 0.00 0.02 -0.04 7.44 7.65 1hi0P1 TRP 353 HZ3 -0.53 0.01 -0.12 -0.04 7.13 6.44 1hi0P1 TRP 353 HH2 -0.24 -0.02 -0.08 -0.04 7.19 6.80 1hi0P1 VAL 354 H 0.10 0.57 -0.19 -0.55 8.24 8.17 1hi0P1 VAL 354 HA 0.17 0.00 0.35 -0.75 4.13 3.90 1hi0P1 VAL 354 HB 0.08 0.09 0.05 -0.04 2.12 2.29 1hi0P1 VAL 354 HG13 0.06 0.01 -0.05 -0.04 0.97 0.94 1hi0P1 VAL 354 HG23 0.16 0.10 -0.20 -0.04 0.95 0.97 1hi0P1 LYS 355 H 0.07 0.67 -0.20 -0.55 8.42 8.41 1hi0P1 LYS 355 HA 0.08 0.00 0.33 -0.75 4.32 3.97 1hi0P1 LYS 355 HB2 0.11 0.04 0.03 -0.04 1.87 2.01 1hi0P1 LYS 355 HB3 0.13 0.09 0.10 -0.04 1.79 2.07 1hi0P1 LYS 355 HG2 0.08 -0.02 -0.21 -0.04 1.46 1.27 1hi0P1 LYS 355 HG3 0.14 -0.03 -0.21 -0.04 1.46 1.32 1hi0P1 LYS 355 HD2 0.12 -0.06 0.02 -0.04 1.69 1.73 1hi0P1 LYS 355 HD3 0.10 -0.00 -0.04 -0.04 1.68 1.69 1hi0P1 LYS 355 HE2 0.10 0.07 -0.15 -0.04 2.99 2.97 1hi0P1 LYS 355 HE3 0.29 -0.01 -0.12 -0.04 2.99 3.10 1hi0P1 LEU 356 H -0.00 0.49 -0.21 -0.55 8.37 8.10 1hi0P1 LEU 356 HA 0.01 -0.00 0.34 -0.75 4.35 3.94 1hi0P1 LEU 356 HB2 -0.38 0.18 0.17 -0.04 1.64 1.56 1hi0P1 LEU 356 HB3 -0.15 -0.04 -0.04 -0.04 1.64 1.37 1hi0P1 LEU 356 HG 0.19 0.18 0.10 -0.04 1.64 2.07 1hi0P1 LEU 356 HD13 0.30 -0.00 -0.06 -0.04 0.93 1.12 1hi0P1 LEU 356 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.88 1hi0P1 PHE 357 H -0.42 0.65 -0.14 -0.55 8.34 7.87 1hi0P1 PHE 357 HA -0.37 -0.07 0.28 -0.75 4.62 3.71 1hi0P1 PHE 357 HB2 -1.41 0.04 0.05 -0.04 3.15 1.79 1hi0P1 PHE 357 HB3 -0.37 0.16 0.11 -0.04 3.06 2.92 1hi0P1 PHE 357 HD2 -0.14 0.02 -0.16 -0.04 7.28 6.97 1hi0P1 PHE 357 HE2 0.11 -0.03 -0.11 -0.04 7.38 7.31 1hi0P1 PHE 357 HZ 0.12 -0.06 -0.12 -0.04 7.32 7.22 1hi0P1 GLU 358 H 0.05 0.70 -0.18 -0.55 8.60 8.62 1hi0P1 GLU 358 HA -0.00 -0.02 0.33 -0.75 4.29 3.85 1hi0P1 GLU 358 HB2 0.10 -0.03 0.03 -0.04 2.09 2.15 1hi0P1 GLU 358 HB3 0.06 0.12 0.12 -0.04 1.99 2.25 1hi0P1 GLU 358 HG2 0.03 0.01 -0.34 -0.04 2.34 2.00 1hi0P1 GLU 358 HG3 0.06 -0.07 -0.10 -0.04 2.34 2.19 1hi0P1 THR 359 H 0.00 0.71 -0.11 -0.55 8.28 8.34 1hi0P1 THR 359 HA -0.04 0.03 0.29 -0.75 4.39 3.92 1hi0P1 THR 359 HB 0.03 0.09 0.07 -0.04 4.32 4.46 1hi0P1 THR 359 HG23 -0.03 -0.03 -0.09 -0.04 1.22 1.04 1hi0P1 SER 360 H -0.14 0.58 -0.32 -0.55 8.46 8.04 1hi0P1 SER 360 HA -0.07 -0.02 0.32 -0.75 4.49 3.97 1hi0P1 SER 360 HB2 -0.10 -0.15 0.04 -0.04 3.95 3.70 1hi0P1 SER 360 HB3 -0.17 0.14 0.03 -0.04 3.93 3.88 1hi0P1 LEU 361 H -0.14 0.55 -0.63 -0.55 8.37 7.60 1hi0P1 LEU 361 HA -0.11 0.08 0.83 -0.75 4.35 4.39 1hi0P1 LEU 361 HB2 -0.15 0.18 0.11 -0.04 1.64 1.74 1hi0P1 LEU 361 HB3 -0.05 -0.07 0.16 -0.04 1.64 1.63 1hi0P1 LEU 361 HG -0.46 0.00 -0.21 -0.04 1.64 0.93 1hi0P1 LEU 361 HD13 -0.40 -0.03 -0.09 -0.04 0.93 0.38 1hi0P1 LEU 361 HD23 -0.34 -0.01 -0.03 -0.04 0.89 0.48 1hi0P1 LYS 362 H -0.03 0.44 -0.26 -0.55 8.42 8.01 1hi0P1 LYS 362 HA -0.01 0.16 0.53 -0.75 4.32 4.24 1hi0P1 LYS 362 HB2 -0.04 -0.17 0.01 -0.04 1.87 1.64 1hi0P1 LYS 362 HB3 -0.01 0.09 0.04 -0.04 1.79 1.87 1hi0P1 LYS 362 HG2 -0.04 0.13 -0.13 -0.04 1.46 1.38 1hi0P1 LYS 362 HG3 -0.07 -0.00 -0.13 -0.04 1.46 1.22 1hi0P1 LYS 362 HD2 0.01 -0.03 -0.18 -0.04 1.69 1.45 1hi0P1 LYS 362 HD3 0.01 -0.09 -0.26 -0.04 1.68 1.30 1hi0P1 LYS 362 HE2 -0.01 0.15 -0.01 -0.04 2.99 3.07 1hi0P1 LYS 362 HE3 0.00 0.02 -0.04 -0.04 2.99 2.93 1hi0P1 LEU 363 H 0.05 0.09 -0.09 -0.55 8.37 7.88 1hi0P1 LEU 363 HA -0.06 0.06 0.40 -0.75 4.35 4.00 1hi0P1 LEU 363 HB2 0.06 0.06 0.06 -0.04 1.64 1.77 1hi0P1 LEU 363 HB3 0.20 -0.02 -0.10 -0.04 1.64 1.68 1hi0P1 LEU 363 HG -0.11 0.16 -0.23 -0.04 1.64 1.43 1hi0P1 LEU 363 HD13 -0.12 -0.05 -0.19 -0.04 0.93 0.53 1hi0P1 LEU 363 HD23 -0.34 -0.02 -0.29 -0.04 0.89 0.21 1hi0P1 PRO 364 HA 0.06 0.08 0.53 -0.51 4.44 4.60 1hi0P1 PRO 364 HB2 0.03 -0.04 -0.07 -0.04 2.28 2.15 1hi0P1 PRO 364 HB3 0.08 0.27 0.03 -0.04 2.02 2.36 1hi0P1 PRO 364 HG2 -0.06 -0.01 -0.31 -0.04 2.03 1.60 1hi0P1 PRO 364 HG3 -0.02 -0.08 -0.38 -0.04 2.03 1.52 1hi0P1 PRO 364 HD2 -0.09 0.28 0.11 -0.04 3.68 3.94 1hi0P1 PRO 364 HD3 -0.09 0.07 0.14 -0.04 3.65 3.74 1hi0P1 VAL 365 H 0.11 0.48 0.33 -0.55 8.24 8.61 1hi0P1 VAL 365 HA 0.15 0.10 1.06 -0.75 4.13 4.68 1hi0P1 VAL 365 HB 0.04 -0.02 -0.06 -0.04 2.12 2.03 1hi0P1 VAL 365 HG13 0.04 0.01 -0.22 -0.04 0.97 0.76 1hi0P1 VAL 365 HG23 0.05 -0.01 -0.07 -0.04 0.95 0.88 1hi0P1 TYR 366 H 0.20 0.87 0.36 -0.55 8.29 9.17 1hi0P1 TYR 366 HA 0.11 0.13 0.99 -0.75 4.56 5.03 1hi0P1 TYR 366 HB2 0.12 0.00 -0.01 -0.04 3.06 3.13 1hi0P1 TYR 366 HB3 0.18 -0.02 0.17 -0.04 2.98 3.27 1hi0P1 TYR 366 HD2 0.20 -0.08 -0.20 -0.04 7.15 7.02 1hi0P1 TYR 366 HE2 0.15 0.04 -0.17 -0.04 6.85 6.83 1hi0P1 VAL 367 H -0.37 0.78 0.35 -0.55 8.24 8.45 1hi0P1 VAL 367 HA -0.43 0.04 0.84 -0.75 4.13 3.83 1hi0P1 VAL 367 HB -0.37 0.05 0.20 -0.04 2.12 1.96 1hi0P1 VAL 367 HG13 -1.09 -0.02 -0.21 -0.04 0.97 -0.38 1hi0P1 VAL 367 HG23 -0.21 0.01 -0.06 -0.04 0.95 0.65 1hi0P1 GLY 368 H -0.49 0.17 0.19 -0.55 8.43 7.76 1hi0P1 GLY 368 HA2 -0.44 0.15 0.55 -0.51 4.01 3.76 1hi0P1 GLY 368 HA3 -0.32 0.11 0.42 -0.51 4.01 3.71 1hi0P1 ALA 369 H -0.06 0.10 -0.00 -0.55 8.40 7.88 1hi0P1 ALA 369 HA -0.01 0.34 0.84 -0.75 4.34 4.76 1hi0P1 ALA 369 HB3 0.14 0.04 -0.05 -0.04 1.41 1.50 1hi0P1 PRO 370 HA -0.28 0.07 0.37 -0.51 4.44 4.09 1hi0P1 PRO 370 HB2 -0.19 0.08 -0.14 -0.04 2.28 1.98 1hi0P1 PRO 370 HB3 -0.34 0.09 -0.12 -0.04 2.02 1.61 1hi0P1 PRO 370 HG2 -0.02 0.01 -0.15 -0.04 2.03 1.84 1hi0P1 PRO 370 HG3 -1.00 0.00 -0.14 -0.04 2.03 0.85 1hi0P1 PRO 370 HD2 -0.13 0.31 -0.33 -0.04 3.68 3.48 1hi0P1 PRO 370 HD3 -0.43 0.03 -0.21 -0.04 3.65 3.01 1hi0P1 ALA 371 H 0.07 0.27 -0.36 -0.55 8.40 7.84 1hi0P1 ALA 371 HA -0.36 0.15 0.43 -0.75 4.34 3.81 1hi0P1 ALA 371 HB3 -0.07 0.00 -0.03 -0.04 1.41 1.27 1hi0P1 PRO 372 HA 0.02 -0.00 0.54 -0.51 4.44 4.49 1hi0P1 PRO 372 HB2 -0.13 0.01 0.05 -0.04 2.28 2.17 1hi0P1 PRO 372 HB3 -0.06 0.03 0.08 -0.04 2.02 2.03 1hi0P1 PRO 372 HG2 -0.40 0.04 0.03 -0.04 2.03 1.67 1hi0P1 PRO 372 HG3 -0.73 0.07 0.01 -0.04 2.03 1.33 1hi0P1 PRO 372 HD2 -0.45 0.09 0.18 -0.04 3.68 3.47 1hi0P1 PRO 372 HD3 -1.65 0.19 0.13 -0.04 3.65 2.28 1hi0P1 GLU 373 H 0.06 0.11 0.23 -0.55 8.60 8.45 1hi0P1 GLU 373 HA 0.04 0.01 0.35 -0.75 4.29 3.93 1hi0P1 GLU 373 HB2 0.01 0.06 -0.46 -0.04 2.09 1.65 1hi0P1 GLU 373 HB3 0.02 -0.00 0.26 -0.04 1.99 2.22 1hi0P1 GLU 373 HG2 0.00 -0.02 0.00 -0.04 2.34 2.29 1hi0P1 GLU 373 HG3 0.01 0.00 0.07 -0.04 2.34 2.38 1hi0P1 GLN 374 H 0.13 0.32 -0.08 -0.55 8.47 8.29 1hi0P1 GLN 374 HA 0.20 0.11 0.69 -0.75 4.36 4.60 1hi0P1 GLN 374 HB2 0.14 -0.01 -0.21 -0.04 2.15 2.04 1hi0P1 GLN 374 HB3 0.35 -0.07 -0.07 -0.04 2.02 2.19 1hi0P1 GLN 374 HG2 0.23 -0.03 0.05 -0.04 2.40 2.61 1hi0P1 GLN 374 HG3 0.12 0.17 -0.45 -0.04 2.39 2.19 1hi0P1 GLN 374 HE21 0.18 -0.03 -0.08 -0.04 6.97 7.00 1hi0P1 GLN 374 HE22 0.10 0.09 -0.11 -0.04 7.69 7.73 1hi0P1 GLY 375 H 0.44 0.08 0.13 -0.55 8.43 8.53 1hi0P1 GLY 375 HA2 -0.11 -0.11 0.19 -0.51 4.01 3.47 1hi0P1 GLY 375 HA3 -0.01 0.57 1.03 -0.51 4.01 5.09 1hi0P1 HIS 376 H -0.46 0.65 0.52 -0.55 8.41 8.57 1hi0P1 HIS 376 HA -0.03 0.09 0.46 -0.75 4.63 4.39 1hi0P1 HIS 376 HB2 0.09 -0.03 0.06 -0.04 3.26 3.34 1hi0P1 HIS 376 HB3 0.16 -0.13 0.23 -0.04 3.20 3.41 1hi0P1 HIS 376 HD2 0.08 0.04 0.15 -0.04 6.97 7.19 1hi0P1 HIS 376 HE1 0.06 -0.15 0.07 -0.04 7.75 7.68 1hi0P1 THR 377 H -0.27 0.44 0.07 -0.55 8.28 7.97 1hi0P1 THR 377 HA 0.22 0.18 0.94 -0.75 4.39 4.98 1hi0P1 THR 377 HB 0.53 -0.09 -0.03 -0.04 4.32 4.70 1hi0P1 THR 377 HG23 0.26 -0.01 -0.22 -0.04 1.22 1.21 1hi0P1 LEU 378 H 0.34 0.81 0.31 -0.55 8.37 9.29 1hi0P1 LEU 378 HA 0.29 0.14 0.96 -0.75 4.35 4.98 1hi0P1 LEU 378 HB2 0.45 -0.01 -0.04 -0.04 1.64 2.00 1hi0P1 LEU 378 HB3 0.39 -0.06 0.11 -0.04 1.64 2.04 1hi0P1 LEU 378 HG 0.31 0.09 -0.39 -0.04 1.64 1.60 1hi0P1 LEU 378 HD13 0.16 0.04 -0.23 -0.04 0.93 0.86 1hi0P1 LEU 378 HD23 -0.05 -0.03 -0.22 -0.04 0.89 0.55 1hi0P1 LEU 379 H 0.20 0.84 0.39 -0.55 8.37 9.26 1hi0P1 LEU 379 HA 0.21 0.09 0.92 -0.75 4.35 4.81 1hi0P1 LEU 379 HB2 0.14 -0.03 0.24 -0.04 1.64 1.95 1hi0P1 LEU 379 HB3 0.12 -0.02 0.02 -0.04 1.64 1.72 1hi0P1 LEU 379 HG 0.30 0.05 -0.02 -0.04 1.64 1.92 1hi0P1 LEU 379 HD13 0.29 -0.03 -0.08 -0.04 0.93 1.08 1hi0P1 LEU 379 HD23 0.38 -0.01 -0.20 -0.04 0.89 1.02 1hi0P1 GLY 380 H 0.17 0.77 0.27 -0.55 8.43 9.09 1hi0P1 GLY 380 HA2 0.12 -0.03 0.44 -0.51 4.01 4.03 1hi0P1 GLY 380 HA3 0.10 0.11 0.65 -0.51 4.01 4.35 1hi0P1 ASP 381 H 0.13 0.15 0.11 -0.55 8.40 8.25 1hi0P1 ASP 381 HA 0.06 0.18 0.60 -0.75 4.63 4.71 1hi0P1 ASP 381 HB2 0.29 0.01 0.06 -0.04 2.71 3.04 1hi0P1 ASP 381 HB3 0.08 0.09 0.16 -0.04 2.70 2.99 1hi0P1 PRO 382 HA -0.14 0.17 0.38 -0.51 4.44 4.34 1hi0P1 PRO 382 HB2 -0.21 -0.07 -0.01 -0.04 2.28 1.94 1hi0P1 PRO 382 HB3 -0.28 0.02 0.15 -0.04 2.02 1.87 1hi0P1 PRO 382 HG2 -0.21 0.06 -0.02 -0.04 2.03 1.82 1hi0P1 PRO 382 HG3 -0.13 0.23 -0.01 -0.04 2.03 2.08 1hi0P1 PRO 382 HD2 -0.26 -0.05 0.15 -0.04 3.68 3.48 1hi0P1 PRO 382 HD3 -0.14 0.38 0.26 -0.04 3.65 4.11 1hi0P1 SER 383 H -0.08 0.05 -0.33 -0.55 8.46 7.55 1hi0P1 SER 383 HA 0.04 -0.04 0.36 -0.75 4.49 4.10 1hi0P1 SER 383 HB2 0.02 0.02 -0.02 -0.04 3.95 3.93 1hi0P1 SER 383 HB3 0.05 0.00 0.04 -0.04 3.93 3.98 1hi0P1 ASN 384 H -0.05 0.22 -0.45 -0.55 8.53 7.71 1hi0P1 ASN 384 HA -0.19 0.19 0.73 -0.75 4.76 4.73 1hi0P1 ASN 384 HB2 0.05 -0.12 -0.17 -0.04 2.88 2.59 1hi0P1 ASN 384 HB3 0.00 -0.04 0.15 -0.04 2.79 2.86 1hi0P1 ASN 384 HD21 0.12 0.00 0.02 -0.04 7.03 7.14 1hi0P1 ASN 384 HD22 0.10 -0.08 -0.02 -0.04 7.74 7.70 1hi0P1 PRO 385 HA -0.15 -0.02 0.42 -0.51 4.44 4.19 1hi0P1 PRO 385 HB2 -0.33 -0.01 0.04 -0.04 2.28 1.94 1hi0P1 PRO 385 HB3 -0.21 0.04 -0.10 -0.04 2.02 1.71 1hi0P1 PRO 385 HG2 -0.80 -0.02 0.02 -0.04 2.03 1.19 1hi0P1 PRO 385 HG3 -0.40 0.10 0.04 -0.04 2.03 1.73 1hi0P1 PRO 385 HD2 -1.45 0.07 0.09 -0.04 3.68 2.35 1hi0P1 PRO 385 HD3 -0.95 0.18 -0.15 -0.04 3.65 2.69 1hi0P1 ASP 386 H -0.05 0.04 0.23 -0.55 8.40 8.08 1hi0P1 ASP 386 HA -0.03 0.16 0.73 -0.75 4.63 4.74 1hi0P1 ASP 386 HB2 -0.00 -0.07 0.20 -0.04 2.71 2.80 1hi0P1 ASP 386 HB3 -0.02 0.06 -0.15 -0.04 2.70 2.55 1hi0P1 LEU 387 H -0.02 0.58 0.18 -0.55 8.37 8.56 1hi0P1 LEU 387 HA 0.01 0.12 0.76 -0.75 4.35 4.48 1hi0P1 LEU 387 HB2 0.01 0.15 -0.15 -0.04 1.64 1.61 1hi0P1 LEU 387 HB3 0.00 -0.05 -0.09 -0.04 1.64 1.46 1hi0P1 LEU 387 HG 0.02 0.05 0.09 -0.04 1.64 1.75 1hi0P1 LEU 387 HD13 0.03 -0.03 -0.08 -0.04 0.93 0.81 1hi0P1 LEU 387 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.83 1hi0P1 GLU 388 H 0.01 0.79 0.27 -0.55 8.60 9.12 1hi0P1 GLU 388 HA 0.02 0.20 0.81 -0.75 4.29 4.58 1hi0P1 GLU 388 HB2 0.02 -0.12 0.37 -0.04 2.09 2.32 1hi0P1 GLU 388 HB3 0.03 -0.11 0.25 -0.04 1.99 2.12 1hi0P1 GLU 388 HG2 0.02 0.15 -0.31 -0.04 2.34 2.16 1hi0P1 GLU 388 HG3 0.03 -0.09 0.04 -0.04 2.34 2.28 1hi0P1 VAL 389 H -0.01 0.24 -0.10 -0.55 8.24 7.82 1hi0P1 VAL 389 HA -0.02 0.19 0.47 -0.75 4.13 4.02 1hi0P1 VAL 389 HB -0.06 -0.06 -0.02 -0.04 2.12 1.94 1hi0P1 VAL 389 HG13 -0.02 0.03 -0.11 -0.04 0.97 0.83 1hi0P1 VAL 389 HG23 -0.12 0.00 -0.40 -0.04 0.95 0.39 1hi0P1 GLY 390 H 0.04 -0.02 -0.29 -0.55 8.43 7.61 1hi0P1 GLY 390 HA2 0.22 0.24 0.18 -0.51 4.01 4.14 1hi0P1 GLY 390 HA3 0.06 0.26 0.72 -0.51 4.01 4.54 1hi0P1 LEU 391 H -0.10 0.54 0.25 -0.55 8.37 8.52 1hi0P1 LEU 391 HA -0.49 0.08 0.59 -0.75 4.35 3.78 1hi0P1 LEU 391 HB2 -0.32 -0.01 0.16 -0.04 1.64 1.43 1hi0P1 LEU 391 HB3 -0.34 -0.06 -0.12 -0.04 1.64 1.08 1hi0P1 LEU 391 HG -1.68 0.02 -0.09 -0.04 1.64 -0.16 1hi0P1 LEU 391 HD13 -0.42 -0.05 -0.03 -0.04 0.93 0.40 1hi0P1 LEU 391 HD23 -1.06 0.01 -0.07 -0.04 0.89 -0.27 1hi0P1 SER 392 H -0.36 0.18 0.04 -0.55 8.46 7.78 1hi0P1 SER 392 HA -0.34 0.14 0.65 -0.75 4.49 4.18 1hi0P1 SER 392 HB2 -0.49 0.15 -0.08 -0.04 3.95 3.49 1hi0P1 SER 392 HB3 -0.77 -0.05 0.13 -0.04 3.93 3.20 1hi0P1 SER 393 H -0.19 0.22 0.03 -0.55 8.46 7.98 1hi0P1 SER 393 HA -0.12 0.01 0.23 -0.75 4.49 3.86 1hi0P1 SER 393 HB2 -0.05 0.07 0.08 -0.04 3.95 4.01 1hi0P1 SER 393 HB3 -0.08 0.06 0.16 -0.04 3.93 4.03 1hi0P1 GLY 394 H -0.05 0.05 -0.04 -0.55 8.43 7.84 1hi0P1 GLY 394 HA2 0.06 0.06 0.48 -0.51 4.01 4.10 1hi0P1 GLY 394 HA3 0.14 -0.01 0.46 -0.51 4.01 4.09 1hi0P1 GLN 395 H -0.03 0.55 -0.30 -0.55 8.47 8.13 1hi0P1 GLN 395 HA 0.16 0.03 0.41 -0.75 4.36 4.21 1hi0P1 GLN 395 HB2 -0.08 0.14 0.13 -0.04 2.15 2.30 1hi0P1 GLN 395 HB3 -0.12 -0.16 0.01 -0.04 2.02 1.71 1hi0P1 GLN 395 HG2 -0.04 -0.08 0.08 -0.04 2.40 2.32 1hi0P1 GLN 395 HG3 -0.10 0.22 -0.10 -0.04 2.39 2.36 1hi0P1 GLN 395 HE21 -0.74 -0.00 -0.11 -0.04 6.97 6.08 1hi0P1 GLN 395 HE22 -0.54 0.14 -0.09 -0.04 7.69 7.16 1hi0P1 GLY 396 H 0.03 0.13 0.16 -0.55 8.43 8.21 1hi0P1 GLY 396 HA2 0.09 0.15 0.34 -0.51 4.01 4.08 1hi0P1 GLY 396 HA3 0.10 0.02 0.34 -0.51 4.01 3.96 1hi0P1 ALA 397 H 0.02 0.05 -0.45 -0.55 8.40 7.47 1hi0P1 ALA 397 HA 0.08 0.24 0.87 -0.75 4.34 4.77 1hi0P1 ALA 397 HB3 0.25 0.02 -0.04 -0.04 1.41 1.61 1hi0P1 THR 398 H -0.04 0.50 -0.10 -0.55 8.28 8.09 1hi0P1 THR 398 HA -0.22 0.01 0.22 -0.75 4.39 3.65 1hi0P1 THR 398 HB -0.16 -0.07 -0.02 -0.04 4.32 4.02 1hi0P1 THR 398 HG23 -0.19 -0.02 -0.15 -0.04 1.22 0.82 1hi0P1 ASP 399 H 0.00 0.14 -0.48 -0.55 8.40 7.51 1hi0P1 ASP 399 HA 0.01 0.09 0.54 -0.75 4.63 4.51 1hi0P1 ASP 399 HB2 0.04 0.03 -0.02 -0.04 2.71 2.72 1hi0P1 ASP 399 HB3 0.04 0.09 0.01 -0.04 2.70 2.80 1hi0P1 LEU 400 H 0.02 0.20 -0.07 -0.55 8.37 7.97 1hi0P1 LEU 400 HA -0.06 0.08 0.44 -0.75 4.35 4.05 1hi0P1 LEU 400 HB2 0.11 0.09 0.14 -0.04 1.64 1.93 1hi0P1 LEU 400 HB3 0.06 0.03 -0.03 -0.04 1.64 1.66 1hi0P1 LEU 400 HG -0.03 -0.08 0.03 -0.04 1.64 1.51 1hi0P1 LEU 400 HD13 -0.05 0.05 0.03 -0.04 0.93 0.92 1hi0P1 LEU 400 HD23 -0.23 0.01 -0.08 -0.04 0.89 0.55 1hi0P1 MET 401 H 0.04 0.53 -0.13 -0.55 8.47 8.36 1hi0P1 MET 401 HA 0.30 0.05 0.28 -0.75 4.52 4.39 1hi0P1 MET 401 HB2 -0.42 0.02 -0.03 -0.04 2.15 1.67 1hi0P1 MET 401 HB3 -0.57 0.01 -0.12 -0.04 2.03 1.31 1hi0P1 MET 401 HG2 0.06 0.10 -0.12 -0.04 2.63 2.63 1hi0P1 MET 401 HG3 -0.29 0.00 -0.16 -0.04 2.56 2.08 1hi0P1 MET 401 HE3 0.37 0.00 -0.21 -0.04 2.10 2.22 1hi0P1 GLY 402 H -0.00 0.41 -0.39 -0.55 8.43 7.90 1hi0P1 GLY 402 HA2 0.50 0.01 0.34 -0.51 4.01 4.35 1hi0P1 GLY 402 HA3 0.20 0.05 0.28 -0.51 4.01 4.02 1hi0P1 THR 403 H 0.07 0.61 -0.17 -0.55 8.28 8.24 1hi0P1 THR 403 HA 0.13 -0.03 0.43 -0.75 4.39 4.16 1hi0P1 THR 403 HB -0.11 0.07 0.18 -0.04 4.32 4.43 1hi0P1 THR 403 HG23 -0.30 0.01 -0.18 -0.04 1.22 0.71 1hi0P1 LEU 404 H 0.13 0.81 -0.00 -0.55 8.37 8.75 1hi0P1 LEU 404 HA 0.27 -0.02 0.31 -0.75 4.35 4.16 1hi0P1 LEU 404 HB2 0.22 0.08 0.03 -0.04 1.64 1.93 1hi0P1 LEU 404 HB3 0.29 0.06 0.05 -0.04 1.64 1.99 1hi0P1 LEU 404 HG 0.24 -0.01 -0.12 -0.04 1.64 1.71 1hi0P1 LEU 404 HD13 0.27 -0.01 -0.19 -0.04 0.93 0.96 1hi0P1 LEU 404 HD23 0.31 -0.01 -0.18 -0.04 0.89 0.97 1hi0P1 LEU 405 H 0.34 0.55 -0.34 -0.55 8.37 8.38 1hi0P1 LEU 405 HA 0.18 -0.02 0.38 -0.75 4.35 4.13 1hi0P1 LEU 405 HB2 -0.04 -0.02 0.03 -0.04 1.64 1.57 1hi0P1 LEU 405 HB3 0.44 0.12 0.13 -0.04 1.64 2.29 1hi0P1 LEU 405 HG 0.09 -0.01 -0.65 -0.04 1.64 1.03 1hi0P1 LEU 405 HD13 -0.34 -0.02 -0.08 -0.04 0.93 0.45 1hi0P1 LEU 405 HD23 0.12 -0.01 -0.11 -0.04 0.89 0.85 1hi0P1 MET 406 H 0.21 0.66 0.02 -0.55 8.47 8.81 1hi0P1 MET 406 HA -0.12 -0.07 0.33 -0.75 4.52 3.91 1hi0P1 MET 406 HB2 0.10 0.14 0.00 -0.04 2.15 2.35 1hi0P1 MET 406 HB3 -0.25 -0.03 -0.09 -0.04 2.03 1.61 1hi0P1 MET 406 HG2 0.14 0.09 -0.07 -0.04 2.63 2.76 1hi0P1 MET 406 HG3 -0.03 -0.06 -0.32 -0.04 2.56 2.12 1hi0P1 MET 406 HE3 -0.18 -0.00 -0.13 -0.04 2.10 1.75 1hi0P1 SER 407 H 0.25 0.92 -0.13 -0.55 8.46 8.95 1hi0P1 SER 407 HA 0.46 0.02 0.30 -0.75 4.49 4.52 1hi0P1 SER 407 HB2 0.48 0.02 -0.03 -0.04 3.95 4.38 1hi0P1 SER 407 HB3 0.54 0.04 -0.02 -0.04 3.93 4.45 1hi0P1 ILE 408 H 0.25 0.47 -0.18 -0.55 8.25 8.24 1hi0P1 ILE 408 HA 0.03 0.01 0.39 -0.75 4.18 3.85 1hi0P1 ILE 408 HB -0.02 0.21 0.13 -0.04 1.89 2.16 1hi0P1 ILE 408 HG12 0.27 0.18 0.07 -0.04 1.49 1.97 1hi0P1 ILE 408 HG13 0.01 -0.05 -0.09 -0.04 1.21 1.04 1hi0P1 ILE 408 HG23 -0.91 -0.05 -0.17 -0.04 0.93 -0.24 1hi0P1 ILE 408 HD13 -0.06 -0.03 -0.11 -0.04 0.88 0.64 1hi0P1 THR 409 H 0.06 0.62 -0.15 -0.55 8.28 8.26 1hi0P1 THR 409 HA 0.09 -0.07 0.33 -0.75 4.39 3.98 1hi0P1 THR 409 HB -0.16 0.13 0.10 -0.04 4.32 4.34 1hi0P1 THR 409 HG23 0.08 -0.03 -0.19 -0.04 1.22 1.03 1hi0P1 TYR 410 H -0.04 0.74 -0.26 -0.55 8.29 8.19 1hi0P1 TYR 410 HA 0.13 -0.01 0.34 -0.75 4.56 4.27 1hi0P1 TYR 410 HB2 0.16 0.14 0.03 -0.04 3.06 3.35 1hi0P1 TYR 410 HB3 0.10 -0.06 -0.12 -0.04 2.98 2.85 1hi0P1 TYR 410 HD2 0.15 -0.04 -0.18 -0.04 7.15 7.04 1hi0P1 TYR 410 HE2 0.13 0.03 -0.23 -0.04 6.85 6.74 1hi0P1 LEU 411 H 0.19 0.61 -0.14 -0.55 8.37 8.49 1hi0P1 LEU 411 HA -0.04 0.02 0.34 -0.75 4.35 3.92 1hi0P1 LEU 411 HB2 -0.19 0.05 0.04 -0.04 1.64 1.51 1hi0P1 LEU 411 HB3 -0.07 0.11 0.18 -0.04 1.64 1.82 1hi0P1 LEU 411 HG -0.18 -0.06 -0.39 -0.04 1.64 0.97 1hi0P1 LEU 411 HD13 -0.79 -0.02 -0.06 -0.04 0.93 0.03 1hi0P1 LEU 411 HD23 -0.30 -0.01 -0.07 -0.04 0.89 0.47 1hi0P1 VAL 412 H 0.00 0.81 -0.15 -0.55 8.24 8.35 1hi0P1 VAL 412 HA -0.02 -0.09 0.38 -0.75 4.13 3.65 1hi0P1 VAL 412 HB 0.11 0.23 0.15 -0.04 2.12 2.57 1hi0P1 VAL 412 HG13 0.14 -0.03 -0.08 -0.04 0.97 0.95 1hi0P1 VAL 412 HG23 -0.11 -0.00 -0.00 -0.04 0.95 0.80 1hi0P1 MET 413 H 0.16 0.60 -0.13 -0.55 8.47 8.55 1hi0P1 MET 413 HA 0.25 0.07 0.38 -0.75 4.52 4.45 1hi0P1 MET 413 HB2 0.24 0.06 0.10 -0.04 2.15 2.51 1hi0P1 MET 413 HB3 0.27 0.08 0.01 -0.04 2.03 2.35 1hi0P1 MET 413 HG2 0.24 -0.03 0.00 -0.04 2.63 2.80 1hi0P1 MET 413 HG3 0.21 0.09 -0.16 -0.04 2.56 2.66 1hi0P1 MET 413 HE3 0.41 -0.00 -0.11 -0.04 2.10 2.36 1hi0P1 GLN 414 H 0.14 0.50 -0.44 -0.55 8.47 8.13 1hi0P1 GLN 414 HA 0.35 0.03 0.44 -0.75 4.36 4.43 1hi0P1 GLN 414 HB2 0.03 0.19 0.15 -0.04 2.15 2.48 1hi0P1 GLN 414 HB3 0.12 -0.13 -0.08 -0.04 2.02 1.89 1hi0P1 GLN 414 HG2 0.24 -0.06 -0.07 -0.04 2.40 2.47 1hi0P1 GLN 414 HG3 0.09 0.15 -0.05 -0.04 2.39 2.54 1hi0P1 GLN 414 HE21 -1.00 0.14 0.12 -0.04 6.97 6.19 1hi0P1 GLN 414 HE22 -1.98 -0.06 -0.08 -0.04 7.69 5.53 1hi0P1 LEU 415 H 0.02 0.67 0.06 -0.55 8.37 8.58 1hi0P1 LEU 415 HA -0.04 -0.09 0.33 -0.75 4.35 3.79 1hi0P1 LEU 415 HB2 -0.05 0.08 0.18 -0.04 1.64 1.81 1hi0P1 LEU 415 HB3 -0.10 -0.08 -0.05 -0.04 1.64 1.37 1hi0P1 LEU 415 HG -0.09 0.21 -0.06 -0.04 1.64 1.66 1hi0P1 LEU 415 HD13 -0.15 -0.03 -0.10 -0.04 0.93 0.62 1hi0P1 LEU 415 HD23 -0.17 -0.03 -0.08 -0.04 0.89 0.58 1hi0P1 ASP 416 H 0.01 0.73 -0.06 -0.55 8.40 8.53 1hi0P1 ASP 416 HA -0.11 -0.08 0.30 -0.75 4.63 3.99 1hi0P1 ASP 416 HB2 -0.02 0.18 0.11 -0.04 2.71 2.93 1hi0P1 ASP 416 HB3 -0.41 0.00 -0.02 -0.04 2.70 2.23 1hi0P1 HIS 417 H 0.16 0.41 -0.26 -0.55 8.41 8.17 1hi0P1 HIS 417 HA 0.04 0.19 1.05 -0.75 4.63 5.15 1hi0P1 HIS 417 HB2 0.09 0.08 0.07 -0.04 3.26 3.47 1hi0P1 HIS 417 HB3 0.04 -0.07 0.14 -0.04 3.20 3.27 1hi0P1 HIS 417 HD2 0.09 0.26 0.15 -0.04 6.97 7.42 1hi0P1 HIS 417 HE1 0.03 -0.02 -0.05 -0.04 7.75 7.66 1hi0P1 THR 418 H 0.12 0.39 0.01 -0.55 8.28 8.26 1hi0P1 THR 418 HA 0.10 0.13 0.94 -0.75 4.39 4.80 1hi0P1 THR 418 HB 0.13 0.05 0.17 -0.04 4.32 4.62 1hi0P1 THR 418 HG23 0.09 0.05 -0.54 -0.04 1.22 0.78 1hi0P1 ALA 419 H 0.04 0.48 0.23 -0.55 8.40 8.61 1hi0P1 ALA 419 HA -0.07 0.15 0.94 -0.75 4.34 4.61 1hi0P1 ALA 419 HB3 -0.13 -0.00 -0.02 -0.04 1.41 1.21 1hi0P1 PRO 420 HA -0.10 0.05 0.42 -0.51 4.44 4.29 1hi0P1 PRO 420 HB2 -0.01 0.01 -0.00 -0.04 2.28 2.23 1hi0P1 PRO 420 HB3 -0.03 0.12 0.10 -0.04 2.02 2.16 1hi0P1 PRO 420 HG2 0.09 -0.04 -0.01 -0.04 2.03 2.03 1hi0P1 PRO 420 HG3 0.03 0.12 -0.02 -0.04 2.03 2.12 1hi0P1 PRO 420 HD2 0.07 0.17 -0.30 -0.04 3.68 3.58 1hi0P1 PRO 420 HD3 0.00 0.30 0.01 -0.04 3.65 3.91 1hi0P1 HIS 421 H -0.09 0.14 -0.48 -0.55 8.41 7.43 1hi0P1 HIS 421 HA -0.03 0.10 0.42 -0.75 4.63 4.37 1hi0P1 HIS 421 HB2 -0.01 0.02 0.12 -0.04 3.26 3.36 1hi0P1 HIS 421 HB3 -0.00 0.02 0.05 -0.04 3.20 3.23 1hi0P1 HIS 421 HD2 0.02 0.03 -0.18 -0.04 6.97 6.78 1hi0P1 HIS 421 HE1 0.07 0.11 0.05 -0.04 7.75 7.93 1hi0P1 LEU 422 H -0.36 0.53 -0.43 -0.55 8.37 7.57 1hi0P1 LEU 422 HA -0.16 0.17 0.84 -0.75 4.35 4.45 1hi0P1 LEU 422 HB2 -0.33 0.24 0.13 -0.04 1.64 1.64 1hi0P1 LEU 422 HB3 -0.45 -0.03 0.03 -0.04 1.64 1.15 1hi0P1 LEU 422 HG -0.42 -0.09 -0.15 -0.04 1.64 0.94 1hi0P1 LEU 422 HD13 -0.01 -0.01 0.00 -0.04 0.93 0.87 1hi0P1 LEU 422 HD23 0.08 0.01 0.03 -0.04 0.89 0.96 1hi0P1 ASN 423 H -0.19 0.32 -0.06 -0.55 8.53 8.05 1hi0P1 ASN 423 HA -0.24 0.02 0.29 -0.75 4.76 4.08 1hi0P1 ASN 423 HB2 -0.10 0.19 0.17 -0.04 2.88 3.10 1hi0P1 ASN 423 HB3 -0.11 -0.02 0.03 -0.04 2.79 2.65 1hi0P1 ASN 423 HD21 -0.09 0.03 0.00 -0.04 7.03 6.93 1hi0P1 ASN 423 HD22 -0.08 0.12 0.18 -0.04 7.74 7.92 1hi0P1 SER 424 H -0.10 0.16 -0.47 -0.55 8.46 7.51 1hi0P1 SER 424 HA -0.07 0.06 0.28 -0.75 4.49 4.01 1hi0P1 SER 424 HB2 -0.04 -0.01 0.04 -0.04 3.95 3.90 1hi0P1 SER 424 HB3 -0.04 -0.01 0.02 -0.04 3.93 3.85 1hi0P1 ARG 425 H -0.21 0.70 -0.44 -0.55 8.46 7.96 1hi0P1 ARG 425 HA -0.07 0.06 0.54 -0.75 4.34 4.12 1hi0P1 ARG 425 HB2 -0.47 0.11 0.05 -0.04 1.90 1.55 1hi0P1 ARG 425 HB3 -0.09 -0.05 0.11 -0.04 1.80 1.73 1hi0P1 ARG 425 HG2 -0.09 -0.08 -0.03 -0.04 1.67 1.42 1hi0P1 ARG 425 HG3 -0.14 -0.03 0.10 -0.04 1.67 1.56 1hi0P1 ARG 425 HD2 0.00 -0.01 0.01 -0.04 3.22 3.18 1hi0P1 ARG 425 HD3 0.03 -0.02 0.01 -0.04 3.22 3.20 1hi0P1 ILE 426 H -0.18 0.53 -0.31 -0.55 8.25 7.73 1hi0P1 ILE 426 HA -0.08 0.05 0.67 -0.75 4.18 4.07 1hi0P1 ILE 426 HB -0.16 0.04 0.20 -0.04 1.89 1.93 1hi0P1 ILE 426 HG12 -0.31 0.05 -0.21 -0.04 1.49 0.97 1hi0P1 ILE 426 HG13 -0.47 -0.02 -0.20 -0.04 1.21 0.49 1hi0P1 ILE 426 HG23 -0.08 -0.02 -0.08 -0.04 0.93 0.70 1hi0P1 ILE 426 HD13 -0.46 -0.02 -0.10 -0.04 0.88 0.27 1hi0P1 LYS 427 H -0.04 0.06 -0.00 -0.55 8.42 7.88 1hi0P1 LYS 427 HA -0.04 0.22 0.87 -0.75 4.32 4.61 1hi0P1 LYS 427 HB2 -0.02 -0.06 -0.03 -0.04 1.87 1.72 1hi0P1 LYS 427 HB3 -0.02 -0.01 0.02 -0.04 1.79 1.74 1hi0P1 LYS 427 HG2 -0.04 0.00 -0.10 -0.04 1.46 1.28 1hi0P1 LYS 427 HG3 -0.05 0.10 -0.32 -0.04 1.46 1.15 1hi0P1 LYS 427 HD2 -0.02 0.02 -0.03 -0.04 1.69 1.62 1hi0P1 LYS 427 HD3 -0.02 -0.06 -0.03 -0.04 1.68 1.52 1hi0P1 LYS 427 HE2 -0.02 -0.04 -0.01 -0.04 2.99 2.88 1hi0P1 LYS 427 HE3 -0.02 -0.04 -0.01 -0.04 2.99 2.87 1hi0P1 ASP 428 H -0.02 0.09 0.13 -0.55 8.40 8.05 1hi0P1 ASP 428 HA -0.01 0.20 0.53 -0.75 4.63 4.60 1hi0P1 ASP 428 HB2 -0.00 -0.04 0.15 -0.04 2.71 2.78 1hi0P1 ASP 428 HB3 -0.01 0.20 -0.11 -0.04 2.70 2.74 1hi0P1 MET 429 H 0.00 0.21 0.13 -0.55 8.47 8.26 1hi0P1 MET 429 HA 0.00 0.09 0.38 -0.75 4.52 4.23 1hi0P1 MET 429 HB2 0.01 0.02 0.17 -0.04 2.15 2.31 1hi0P1 MET 429 HB3 0.01 0.06 0.00 -0.04 2.03 2.07 1hi0P1 MET 429 HG2 0.01 -0.03 0.06 -0.04 2.63 2.62 1hi0P1 MET 429 HG3 0.01 0.09 0.01 -0.04 2.56 2.64 1hi0P1 MET 429 HE3 0.02 0.02 -0.14 -0.04 2.10 1.95 1hi0P1 PRO 430 HA 0.02 0.12 0.42 -0.51 4.44 4.48 1hi0P1 PRO 430 HB2 0.01 -0.08 0.09 -0.04 2.28 2.26 1hi0P1 PRO 430 HB3 0.01 0.10 0.05 -0.04 2.02 2.15 1hi0P1 PRO 430 HG2 0.01 0.08 0.06 -0.04 2.03 2.14 1hi0P1 PRO 430 HG3 0.01 0.12 0.06 -0.04 2.03 2.18 1hi0P1 PRO 430 HD2 0.00 0.02 0.06 -0.04 3.68 3.72 1hi0P1 PRO 430 HD3 0.01 0.15 0.15 -0.04 3.65 3.92 1hi0P1 SER 431 H 0.00 0.08 -0.15 -0.55 8.46 7.85 1hi0P1 SER 431 HA 0.02 0.07 0.37 -0.75 4.49 4.20 1hi0P1 SER 431 HB2 -0.00 0.39 0.17 -0.04 3.95 4.46 1hi0P1 SER 431 HB3 -0.00 -0.00 0.11 -0.04 3.93 3.99 1hi0P1 ALA 432 H 0.00 0.37 -0.47 -0.55 8.40 7.76 1hi0P1 ALA 432 HA 0.02 -0.00 0.45 -0.75 4.34 4.06 1hi0P1 ALA 432 HB3 -0.02 0.01 0.04 -0.04 1.41 1.40 1hi0P1 CYS 433 H -0.00 0.86 0.20 -0.55 8.50 9.02 1hi0P1 CYS 433 HA -0.07 -0.03 0.37 -0.75 4.58 4.11 1hi0P1 CYS 433 HB2 0.02 0.05 0.16 -0.04 2.97 3.16 1hi0P1 CYS 433 HB3 0.02 -0.00 0.02 -0.04 2.97 2.96 1hi0P1 ARG 434 H 0.02 0.70 -0.19 -0.55 8.46 8.44 1hi0P1 ARG 434 HA 0.03 -0.01 0.35 -0.75 4.34 3.96 1hi0P1 ARG 434 HB2 0.05 0.09 0.14 -0.04 1.90 2.13 1hi0P1 ARG 434 HB3 0.06 -0.03 -0.01 -0.04 1.80 1.78 1hi0P1 ARG 434 HG2 0.04 -0.02 0.02 -0.04 1.67 1.67 1hi0P1 ARG 434 HG3 0.03 0.04 -0.01 -0.04 1.67 1.70 1hi0P1 ARG 434 HD2 0.04 0.01 -0.02 -0.04 3.22 3.21 1hi0P1 ARG 434 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.17 1hi0P1 PHE 435 H 0.13 0.58 -0.08 -0.55 8.34 8.42 1hi0P1 PHE 435 HA -0.03 -0.01 0.41 -0.75 4.62 4.23 1hi0P1 PHE 435 HB2 -0.06 0.10 0.10 -0.04 3.15 3.25 1hi0P1 PHE 435 HB3 -0.11 0.03 0.19 -0.04 3.06 3.12 1hi0P1 PHE 435 HD2 -0.12 0.01 -0.06 -0.04 7.28 7.07 1hi0P1 PHE 435 HE2 -0.20 -0.03 -0.07 -0.04 7.38 7.04 1hi0P1 PHE 435 HZ -0.19 -0.02 -0.06 -0.04 7.32 7.00 1hi0P1 LEU 436 H -0.08 0.74 0.02 -0.55 8.37 8.50 1hi0P1 LEU 436 HA -0.57 -0.05 0.33 -0.75 4.35 3.31 1hi0P1 LEU 436 HB2 -0.32 -0.05 0.04 -0.04 1.64 1.27 1hi0P1 LEU 436 HB3 -0.38 0.10 0.04 -0.04 1.64 1.36 1hi0P1 LEU 436 HG -1.68 0.03 -0.25 -0.04 1.64 -0.31 1hi0P1 LEU 436 HD13 -0.94 -0.03 -0.01 -0.04 0.93 -0.10 1hi0P1 LEU 436 HD23 -0.72 0.01 -0.18 -0.04 0.89 -0.04 1hi0P1 ASP 437 H -0.17 0.75 -0.19 -0.55 8.40 8.24 1hi0P1 ASP 437 HA -0.03 -0.00 0.38 -0.75 4.63 4.22 1hi0P1 ASP 437 HB2 0.08 -0.02 0.08 -0.04 2.71 2.81 1hi0P1 ASP 437 HB3 0.03 0.12 0.17 -0.04 2.70 2.98 1hi0P1 SER 438 H -0.08 0.59 -0.07 -0.55 8.46 8.36 1hi0P1 SER 438 HA 0.03 -0.00 0.37 -0.75 4.49 4.14 1hi0P1 SER 438 HB2 0.03 0.02 0.15 -0.04 3.95 4.10 1hi0P1 SER 438 HB3 -0.13 0.11 0.16 -0.04 3.93 4.02 1hi0P1 TYR 439 H -0.34 0.66 -0.16 -0.55 8.29 7.90 1hi0P1 TYR 439 HA -0.28 -0.06 0.41 -0.75 4.56 3.88 1hi0P1 TYR 439 HB2 -0.99 -0.05 0.04 -0.04 3.06 2.02 1hi0P1 TYR 439 HB3 -0.65 0.12 0.17 -0.04 2.98 2.58 1hi0P1 TYR 439 HD2 -0.29 0.01 -0.04 -0.04 7.15 6.79 1hi0P1 TYR 439 HE2 -0.01 -0.00 -0.29 -0.04 6.85 6.51 1hi0P1 TRP 440 H -0.09 0.77 0.04 -0.55 7.97 8.15 1hi0P1 TRP 440 HA -0.39 0.00 0.41 -0.75 4.62 3.90 1hi0P1 TRP 440 HB2 -0.34 0.12 0.13 -0.04 3.23 3.11 1hi0P1 TRP 440 HB3 -0.19 -0.04 0.07 -0.04 3.23 3.04 1hi0P1 TRP 440 HD1 -0.20 -0.00 -0.07 -0.04 7.22 6.91 1hi0P1 TRP 440 HE1 0.24 -0.06 -0.14 -0.04 10.20 10.20 1hi0P1 TRP 440 HE3 -1.36 0.04 -0.09 -0.04 7.59 6.13 1hi0P1 TRP 440 HZ2 0.19 -0.05 -0.08 -0.04 7.44 7.46 1hi0P1 TRP 440 HZ3 -0.15 -0.00 -0.11 -0.04 7.13 6.82 1hi0P1 TRP 440 HH2 0.06 0.02 0.00 -0.04 7.19 7.23 1hi0P1 GLN 441 H -0.04 0.38 -0.48 -0.55 8.47 7.79 1hi0P1 GLN 441 HA 0.02 0.05 0.74 -0.75 4.36 4.40 1hi0P1 GLN 441 HB2 -0.48 0.09 0.15 -0.04 2.15 1.87 1hi0P1 GLN 441 HB3 -0.67 -0.08 0.18 -0.04 2.02 1.41 1hi0P1 GLN 441 HG2 0.03 0.11 0.14 -0.04 2.40 2.64 1hi0P1 GLN 441 HG3 0.25 0.09 0.04 -0.04 2.39 2.73 1hi0P1 GLN 441 HE21 0.09 -0.09 -0.03 -0.04 6.97 6.89 1hi0P1 GLN 441 HE22 0.21 0.04 -0.07 -0.04 7.69 7.83 1hi0P1 GLY 442 H -0.31 0.56 -0.31 -0.55 8.43 7.83 1hi0P1 GLY 442 HA2 -0.60 0.01 0.34 -0.51 4.01 3.26 1hi0P1 GLY 442 HA3 -1.48 0.07 0.50 -0.51 4.01 2.59 1hi0P1 HIS 443 H -0.23 0.40 -0.06 -0.55 8.41 7.97 1hi0P1 HIS 443 HA -0.10 0.17 0.69 -0.75 4.63 4.63 1hi0P1 HIS 443 HB2 -0.06 0.11 0.06 -0.04 3.26 3.34 1hi0P1 HIS 443 HB3 -0.03 -0.10 0.17 -0.04 3.20 3.19 1hi0P1 HIS 443 HD2 -0.10 0.09 -0.30 -0.04 6.97 6.61 1hi0P1 HIS 443 HE1 0.01 -0.05 0.01 -0.04 7.75 7.68 1hi0P1 GLU 444 H -0.07 0.23 -0.23 -0.55 8.60 7.98 1hi0P1 GLU 444 HA 0.07 0.18 0.93 -0.75 4.29 4.71 1hi0P1 GLU 444 HB2 0.11 0.27 0.08 -0.04 2.09 2.51 1hi0P1 GLU 444 HB3 0.14 -0.17 0.14 -0.04 1.99 2.06 1hi0P1 GLU 444 HG2 -0.04 0.01 -0.40 -0.04 2.34 1.86 1hi0P1 GLU 444 HG3 -0.10 -0.01 -0.06 -0.04 2.34 2.12 1hi0P1 GLU 445 H 0.10 0.10 0.12 -0.55 8.60 8.37 1hi0P1 GLU 445 HA 0.03 0.18 0.43 -0.75 4.29 4.17 1hi0P1 GLU 445 HB2 0.12 -0.01 0.04 -0.04 2.09 2.20 1hi0P1 GLU 445 HB3 0.09 0.07 0.09 -0.04 1.99 2.19 1hi0P1 GLU 445 HG2 0.17 0.04 0.08 -0.04 2.34 2.58 1hi0P1 GLU 445 HG3 0.16 0.05 -0.09 -0.04 2.34 2.42 1hi0P1 ILE 446 H 0.02 0.04 -0.42 -0.55 8.25 7.34 1hi0P1 ILE 446 HA -0.51 0.29 0.96 -0.75 4.18 4.18 1hi0P1 ILE 446 HB -0.26 0.08 -0.03 -0.04 1.89 1.64 1hi0P1 ILE 446 HG12 0.09 -0.14 -0.02 -0.04 1.49 1.37 1hi0P1 ILE 446 HG13 0.19 0.04 0.02 -0.04 1.21 1.41 1hi0P1 ILE 446 HG23 -0.12 -0.02 -0.13 -0.04 0.93 0.61 1hi0P1 ILE 446 HD13 -0.00 0.00 -0.10 -0.04 0.88 0.74 1hi0P1 ARG 447 H -0.78 0.62 0.25 -0.55 8.46 7.99 1hi0P1 ARG 447 HA -0.42 0.18 0.80 -0.75 4.34 4.15 1hi0P1 ARG 447 HB2 -0.59 -0.07 -0.15 -0.04 1.90 1.05 1hi0P1 ARG 447 HB3 0.09 0.06 0.06 -0.04 1.80 1.96 1hi0P1 ARG 447 HG2 -0.23 0.05 -0.27 -0.04 1.67 1.18 1hi0P1 ARG 447 HG3 -0.29 -0.19 -0.85 -0.04 1.67 0.30 1hi0P1 ARG 447 HD2 0.17 -0.08 -0.20 -0.04 3.22 3.08 1hi0P1 ARG 447 HD3 0.06 0.03 -0.05 -0.04 3.22 3.22 1hi0P1 GLN 448 H -0.15 0.36 0.19 -0.55 8.47 8.33 1hi0P1 GLN 448 HA -0.19 0.27 0.82 -0.75 4.36 4.51 1hi0P1 GLN 448 HB2 -0.04 0.01 -0.05 -0.04 2.15 2.03 1hi0P1 GLN 448 HB3 -0.01 -0.04 -0.23 -0.04 2.02 1.69 1hi0P1 GLN 448 HG2 -0.07 -0.05 -0.09 -0.04 2.40 2.15 1hi0P1 GLN 448 HG3 -0.05 0.08 -0.37 -0.04 2.39 2.01 1hi0P1 GLN 448 HE21 0.48 0.11 0.06 -0.04 6.97 7.59 1hi0P1 GLN 448 HE22 0.38 -0.06 -0.16 -0.04 7.69 7.81 1hi0P1 ILE 449 H -0.10 0.47 0.31 -0.55 8.25 8.38 1hi0P1 ILE 449 HA -0.07 0.28 0.92 -0.75 4.18 4.56 1hi0P1 ILE 449 HB -0.78 0.02 -0.02 -0.04 1.89 1.07 1hi0P1 ILE 449 HG12 -0.08 0.08 0.09 -0.04 1.49 1.54 1hi0P1 ILE 449 HG13 -1.05 -0.19 0.17 -0.04 1.21 0.10 1hi0P1 ILE 449 HG23 -0.25 0.06 -0.05 -0.04 0.93 0.66 1hi0P1 ILE 449 HD13 -0.77 -0.01 -0.10 -0.04 0.88 -0.04 1hi0P1 SER 450 H 0.30 0.97 0.31 -0.55 8.46 9.50 1hi0P1 SER 450 HA 0.53 0.09 0.56 -0.75 4.49 4.91 1hi0P1 SER 450 HB2 0.35 0.06 -0.01 -0.04 3.95 4.31 1hi0P1 SER 450 HB3 0.19 -0.06 -0.26 -0.04 3.93 3.75 1hi0P1 LYS 451 H 0.32 0.70 0.02 -0.55 8.42 8.91 1hi0P1 LYS 451 HA 0.20 0.06 0.57 -0.75 4.32 4.40 1hi0P1 LYS 451 HB2 0.18 0.18 -0.13 -0.04 1.87 2.05 1hi0P1 LYS 451 HB3 0.03 -0.10 0.09 -0.04 1.79 1.76 1hi0P1 LYS 451 HG2 0.01 -0.04 -0.00 -0.04 1.46 1.38 1hi0P1 LYS 451 HG3 0.07 -0.09 -0.10 -0.04 1.46 1.30 1hi0P1 LYS 451 HD2 0.15 0.03 0.07 -0.04 1.69 1.90 1hi0P1 LYS 451 HD3 0.04 0.08 0.03 -0.04 1.68 1.79 1hi0P1 LYS 451 HE2 0.05 0.04 0.06 -0.04 2.99 3.09 1hi0P1 LYS 451 HE3 0.09 -0.13 -0.03 -0.04 2.99 2.87 1hi0P1 SER 452 H 0.11 0.13 0.02 -0.55 8.46 8.18 1hi0P1 SER 452 HA 0.01 0.02 -0.06 -0.75 4.49 3.71 1hi0P1 SER 452 HB2 -0.02 0.17 -0.13 -0.04 3.95 3.93 1hi0P1 SER 452 HB3 -0.21 -0.12 0.19 -0.04 3.93 3.75 1hi0P1 ASP 453 H -0.16 0.08 0.19 -0.55 8.40 7.97 1hi0P1 ASP 453 HA 0.09 0.15 0.50 -0.75 4.63 4.62 1hi0P1 ASP 453 HB2 0.10 -0.07 0.15 -0.04 2.71 2.86 1hi0P1 ASP 453 HB3 -0.15 -0.05 0.07 -0.04 2.70 2.54 1hi0P1 ASP 454 H 0.09 0.39 -0.08 -0.55 8.40 8.26 1hi0P1 ASP 454 HA 0.15 0.19 0.89 -0.75 4.63 5.10 1hi0P1 ASP 454 HB2 0.03 -0.06 0.10 -0.04 2.71 2.74 1hi0P1 ASP 454 HB3 0.03 0.07 0.15 -0.04 2.70 2.91 1hi0P1 ALA 455 H 0.14 0.35 0.26 -0.55 8.40 8.61 1hi0P1 ALA 455 HA 0.12 0.24 0.61 -0.75 4.34 4.55 1hi0P1 ALA 455 HB3 -0.17 0.00 -0.16 -0.04 1.41 1.04 1hi0P1 MET 456 H -0.29 0.62 0.31 -0.55 8.47 8.57 1hi0P1 MET 456 HA -0.04 0.24 0.92 -0.75 4.52 4.89 1hi0P1 MET 456 HB2 -0.18 -0.01 0.06 -0.04 2.15 1.98 1hi0P1 MET 456 HB3 0.20 0.01 -0.11 -0.04 2.03 2.09 1hi0P1 MET 456 HG2 0.04 0.13 -0.10 -0.04 2.63 2.66 1hi0P1 MET 456 HG3 -0.26 -0.05 -0.34 -0.04 2.56 1.87 1hi0P1 MET 456 HE3 0.16 0.01 -0.24 -0.04 2.10 1.98 1hi0P1 LEU 457 H -0.08 0.67 0.31 -0.55 8.37 8.72 1hi0P1 LEU 457 HA -0.43 0.23 0.98 -0.75 4.35 4.38 1hi0P1 LEU 457 HB2 -0.07 -0.07 0.15 -0.04 1.64 1.61 1hi0P1 LEU 457 HB3 -0.52 0.05 0.04 -0.04 1.64 1.17 1hi0P1 LEU 457 HG -0.29 -0.04 -0.10 -0.04 1.64 1.17 1hi0P1 LEU 457 HD13 0.00 -0.00 -0.09 -0.04 0.93 0.80 1hi0P1 LEU 457 HD23 -0.22 0.02 -0.15 -0.04 0.89 0.49 1hi0P1 GLY 458 H -1.17 0.84 0.29 -0.55 8.43 7.84 1hi0P1 GLY 458 HA2 -0.65 0.36 1.14 -0.51 4.01 4.35 1hi0P1 GLY 458 HA3 -2.94 0.03 0.26 -0.51 4.01 0.85 1hi0P1 TRP 459 H -0.07 0.45 0.34 -0.55 7.97 8.14 1hi0P1 TRP 459 HA -0.18 0.26 0.97 -0.75 4.62 4.92 1hi0P1 TRP 459 HB2 -0.09 -0.06 0.12 -0.04 3.23 3.15 1hi0P1 TRP 459 HB3 -0.04 0.04 0.02 -0.04 3.23 3.21 1hi0P1 TRP 459 HD1 -0.00 -0.10 -0.23 -0.04 7.22 6.85 1hi0P1 TRP 459 HE1 0.01 -0.02 -0.12 -0.04 10.20 10.02 1hi0P1 TRP 459 HE3 -0.16 0.05 -0.31 -0.04 7.59 7.13 1hi0P1 TRP 459 HZ2 0.00 0.01 -0.11 -0.04 7.44 7.31 1hi0P1 TRP 459 HZ3 -0.15 -0.00 -0.17 -0.04 7.13 6.77 1hi0P1 TRP 459 HH2 -0.06 0.01 -0.12 -0.04 7.19 6.98 1hi0P1 THR 460 H 0.04 0.64 0.27 -0.55 8.28 8.68 1hi0P1 THR 460 HA 0.16 0.11 0.81 -0.75 4.39 4.72 1hi0P1 THR 460 HB 0.11 -0.03 0.21 -0.04 4.32 4.57 1hi0P1 THR 460 HG23 0.05 0.06 -0.04 -0.04 1.22 1.25 1hi0P1 LYS 461 H 0.11 0.16 0.18 -0.55 8.42 8.32 1hi0P1 LYS 461 HA 0.11 0.04 0.48 -0.75 4.32 4.20 1hi0P1 LYS 461 HB2 0.07 0.01 0.15 -0.04 1.87 2.06 1hi0P1 LYS 461 HB3 0.06 -0.01 0.04 -0.04 1.79 1.84 1hi0P1 LYS 461 HG2 0.09 0.03 0.09 -0.04 1.46 1.63 1hi0P1 LYS 461 HG3 0.06 0.01 0.05 -0.04 1.46 1.54 1hi0P1 LYS 461 HD2 0.06 -0.02 0.04 -0.04 1.69 1.73 1hi0P1 LYS 461 HD3 0.09 0.00 0.03 -0.04 1.68 1.76 1hi0P1 LYS 461 HE2 0.09 0.04 0.01 -0.04 2.99 3.08 1hi0P1 LYS 461 HE3 0.06 -0.02 0.02 -0.04 2.99 3.01 1hi0P1 GLY 462 H 0.08 0.23 0.26 -0.55 8.43 8.45 1hi0P1 GLY 462 HA2 0.04 0.06 0.33 -0.51 4.01 3.93 1hi0P1 GLY 462 HA3 0.08 0.14 0.58 -0.51 4.01 4.30 1hi0P1 ARG 463 H -0.00 0.19 0.17 -0.55 8.46 8.26 1hi0P1 ARG 463 HA -0.02 0.09 0.45 -0.75 4.34 4.12 1hi0P1 ARG 463 HB2 -0.35 -0.03 0.19 -0.04 1.90 1.66 1hi0P1 ARG 463 HB3 -0.28 0.06 0.04 -0.04 1.80 1.58 1hi0P1 ARG 463 HG2 -0.10 0.02 0.08 -0.04 1.67 1.64 1hi0P1 ARG 463 HG3 -0.14 -0.00 0.11 -0.04 1.67 1.60 1hi0P1 ARG 463 HD2 -0.30 0.00 0.03 -0.04 3.22 2.91 1hi0P1 ARG 463 HD3 -0.14 0.02 0.03 -0.04 3.22 3.09 1hi0P1 ALA 464 H 0.21 0.05 -0.08 -0.55 8.40 8.04 1hi0P1 ALA 464 HA 0.24 0.39 0.54 -0.75 4.34 4.76 1hi0P1 ALA 464 HB3 0.40 -0.01 -0.03 -0.04 1.41 1.73 1hi0P1 LEU 465 H 0.16 0.20 -0.40 -0.55 8.37 7.78 1hi0P1 LEU 465 HA -0.09 0.01 0.32 -0.75 4.35 3.83 1hi0P1 LEU 465 HB2 0.17 0.27 0.09 -0.04 1.64 2.14 1hi0P1 LEU 465 HB3 0.10 0.10 0.15 -0.04 1.64 1.96 1hi0P1 LEU 465 HG 0.15 -0.01 -0.18 -0.04 1.64 1.56 1hi0P1 LEU 465 HD13 0.10 -0.01 -0.01 -0.04 0.93 0.97 1hi0P1 LEU 465 HD23 0.14 0.01 -0.09 -0.04 0.89 0.90 1hi0P1 VAL 466 H 0.03 0.34 -0.13 -0.55 8.24 7.93 1hi0P1 VAL 466 HA 0.05 0.06 0.50 -0.75 4.13 3.99 1hi0P1 VAL 466 HB 0.00 -0.02 0.13 -0.04 2.12 2.19 1hi0P1 VAL 466 HG13 0.02 0.07 0.12 -0.04 0.97 1.13 1hi0P1 VAL 466 HG23 -0.01 -0.00 -0.03 -0.04 0.95 0.86 1hi0P1 GLY 467 H -0.02 0.25 -0.13 -0.55 8.43 7.99 1hi0P1 GLY 467 HA2 -0.02 0.02 0.51 -0.51 4.01 4.01 1hi0P1 GLY 467 HA3 -0.01 0.12 0.52 -0.51 4.01 4.13 1hi0P1 GLY 468 H -0.54 0.44 -0.04 -0.55 8.43 7.74 1hi0P1 GLY 468 HA2 -1.34 0.02 0.32 -0.51 4.01 2.50 1hi0P1 GLY 468 HA3 -2.08 0.05 0.24 -0.51 4.01 1.70 1hi0P1 HIS 469 H -0.30 0.45 -0.25 -0.55 8.41 7.77 1hi0P1 HIS 469 HA -0.14 -0.02 0.36 -0.75 4.63 4.08 1hi0P1 HIS 469 HB2 -0.14 0.21 0.18 -0.04 3.26 3.47 1hi0P1 HIS 469 HB3 -0.13 -0.05 0.02 -0.04 3.20 2.99 1hi0P1 HIS 469 HD2 -0.11 0.20 0.03 -0.04 6.97 7.04 1hi0P1 HIS 469 HE1 -0.08 0.04 0.04 -0.04 7.75 7.71 1hi0P1 ARG 470 H -0.06 0.41 -0.20 -0.55 8.46 8.05 1hi0P1 ARG 470 HA -0.00 -0.01 0.50 -0.75 4.34 4.07 1hi0P1 ARG 470 HB2 -0.01 0.19 0.27 -0.04 1.90 2.31 1hi0P1 ARG 470 HB3 0.01 -0.03 0.03 -0.04 1.80 1.78 1hi0P1 ARG 470 HG2 -0.00 -0.06 0.07 -0.04 1.67 1.64 1hi0P1 ARG 470 HG3 -0.01 0.04 0.07 -0.04 1.67 1.73 1hi0P1 ARG 470 HD2 0.02 -0.02 0.03 -0.04 3.22 3.21 1hi0P1 ARG 470 HD3 0.01 -0.06 0.02 -0.04 3.22 3.15 1hi0P1 LEU 471 H -0.11 0.65 -0.04 -0.55 8.37 8.32 1hi0P1 LEU 471 HA -0.07 0.02 0.41 -0.75 4.35 3.95 1hi0P1 LEU 471 HB2 -0.03 0.06 0.07 -0.04 1.64 1.70 1hi0P1 LEU 471 HB3 -0.20 0.15 0.20 -0.04 1.64 1.75 1hi0P1 LEU 471 HG 0.04 -0.05 -0.27 -0.04 1.64 1.33 1hi0P1 LEU 471 HD13 -0.21 -0.02 0.01 -0.04 0.93 0.67 1hi0P1 LEU 471 HD23 0.26 -0.00 -0.12 -0.04 0.89 0.99 1hi0P1 PHE 472 H -0.00 0.67 -0.00 -0.55 8.34 8.45 1hi0P1 PHE 472 HA -0.01 -0.01 0.37 -0.75 4.62 4.21 1hi0P1 PHE 472 HB2 -0.21 0.05 0.07 -0.04 3.15 3.03 1hi0P1 PHE 472 HB3 -0.10 0.12 0.09 -0.04 3.06 3.14 1hi0P1 PHE 472 HD2 -0.07 -0.05 0.06 -0.04 7.28 7.18 1hi0P1 PHE 472 HE2 -0.05 0.03 0.05 -0.04 7.38 7.37 1hi0P1 PHE 472 HZ 0.08 0.08 0.12 -0.04 7.32 7.56 1hi0P1 GLU 473 H 0.07 0.47 -0.39 -0.55 8.60 8.20 1hi0P1 GLU 473 HA 0.06 -0.03 0.47 -0.75 4.29 4.04 1hi0P1 GLU 473 HB2 0.00 0.12 0.20 -0.04 2.09 2.37 1hi0P1 GLU 473 HB3 0.02 0.19 0.19 -0.04 1.99 2.35 1hi0P1 GLU 473 HG2 0.00 -0.03 0.04 -0.04 2.34 2.31 1hi0P1 GLU 473 HG3 0.01 -0.04 -0.00 -0.04 2.34 2.27 1hi0P1 MET 474 H 0.04 0.52 -0.10 -0.55 8.47 8.38 1hi0P1 MET 474 HA 0.02 -0.06 0.43 -0.75 4.52 4.16 1hi0P1 MET 474 HB2 -0.02 0.00 0.15 -0.04 2.15 2.24 1hi0P1 MET 474 HB3 -0.04 0.16 0.20 -0.04 2.03 2.31 1hi0P1 MET 474 HG2 0.00 0.03 -0.07 -0.04 2.63 2.56 1hi0P1 MET 474 HG3 0.01 -0.09 0.04 -0.04 2.56 2.48 1hi0P1 MET 474 HE3 -0.22 -0.00 -0.01 -0.04 2.10 1.82 1hi0P1 LEU 475 H 0.10 0.54 -0.14 -0.55 8.37 8.33 1hi0P1 LEU 475 HA 0.14 0.05 0.48 -0.75 4.35 4.27 1hi0P1 LEU 475 HB2 0.24 0.17 0.17 -0.04 1.64 2.18 1hi0P1 LEU 475 HB3 0.30 -0.14 0.00 -0.04 1.64 1.77 1hi0P1 LEU 475 HG 0.08 0.13 -0.05 -0.04 1.64 1.76 1hi0P1 LEU 475 HD13 0.08 -0.03 -0.17 -0.04 0.93 0.77 1hi0P1 LEU 475 HD23 0.13 -0.03 -0.15 -0.04 0.89 0.80 1hi0P1 LYS 476 H 0.07 0.57 -0.00 -0.55 8.42 8.50 1hi0P1 LYS 476 HA -0.32 0.02 0.45 -0.75 4.32 3.72 1hi0P1 LYS 476 HB2 -0.39 -0.03 0.15 -0.04 1.87 1.57 1hi0P1 LYS 476 HB3 -0.17 0.03 0.22 -0.04 1.79 1.83 1hi0P1 LYS 476 HG2 -0.25 -0.01 -0.20 -0.04 1.46 0.95 1hi0P1 LYS 476 HG3 -0.52 0.13 0.12 -0.04 1.46 1.15 1hi0P1 LYS 476 HD2 -1.05 0.01 -0.07 -0.04 1.69 0.53 1hi0P1 LYS 476 HD3 -1.60 -0.05 -0.02 -0.04 1.68 -0.03 1hi0P1 LYS 476 HE2 -0.25 -0.08 -0.01 -0.04 2.99 2.61 1hi0P1 LYS 476 HE3 -0.19 0.03 -0.01 -0.04 2.99 2.78 1hi0P1 GLU 477 H -0.01 0.63 0.01 -0.55 8.60 8.69 1hi0P1 GLU 477 HA -0.01 -0.02 0.37 -0.75 4.29 3.88 1hi0P1 GLU 477 HB2 0.02 0.06 0.11 -0.04 2.09 2.24 1hi0P1 GLU 477 HB3 0.01 -0.09 0.08 -0.04 1.99 1.96 1hi0P1 GLU 477 HG2 -0.02 -0.07 0.06 -0.04 2.34 2.27 1hi0P1 GLU 477 HG3 -0.01 0.19 0.13 -0.04 2.34 2.61 1hi0P1 GLY 478 H 0.08 0.18 -0.84 -0.55 8.43 7.31 1hi0P1 GLY 478 HA2 0.09 0.03 0.36 -0.51 4.01 3.98 1hi0P1 GLY 478 HA3 0.11 0.02 0.33 -0.51 4.01 3.95 1hi0P1 LYS 479 H 0.04 0.05 -0.09 -0.55 8.42 7.87 1hi0P1 LYS 479 HA 0.03 0.22 0.98 -0.75 4.32 4.80 1hi0P1 LYS 479 HB2 0.02 -0.05 0.00 -0.04 1.87 1.80 1hi0P1 LYS 479 HB3 0.02 -0.07 0.09 -0.04 1.79 1.79 1hi0P1 LYS 479 HG2 0.02 -0.01 0.04 -0.04 1.46 1.48 1hi0P1 LYS 479 HG3 0.03 0.34 -0.14 -0.04 1.46 1.65 1hi0P1 LYS 479 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.62 1hi0P1 LYS 479 HD3 0.02 -0.07 0.02 -0.04 1.68 1.61 1hi0P1 LYS 479 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 1hi0P1 LYS 479 HE3 0.01 0.08 0.02 -0.04 2.99 3.07 1hi0P1 VAL 480 H 0.04 0.11 0.06 -0.55 8.24 7.90 1hi0P1 VAL 480 HA 0.03 0.17 0.89 -0.75 4.13 4.47 1hi0P1 VAL 480 HB 0.03 -0.06 0.01 -0.04 2.12 2.05 1hi0P1 VAL 480 HG13 0.04 -0.00 -0.32 -0.04 0.97 0.66 1hi0P1 VAL 480 HG23 0.03 0.00 -0.13 -0.04 0.95 0.81 1hi0P1 ASN 481 H 0.03 0.17 0.10 -0.55 8.53 8.29 1hi0P1 ASN 481 HA 0.04 0.20 0.63 -0.75 4.76 4.88 1hi0P1 ASN 481 HB2 0.02 0.02 0.12 -0.04 2.88 3.01 1hi0P1 ASN 481 HB3 0.02 0.05 0.22 -0.04 2.79 3.04 1hi0P1 ASN 481 HD21 0.00 0.23 0.11 -0.04 7.03 7.34 1hi0P1 ASN 481 HD22 -0.01 0.03 0.09 -0.04 7.74 7.81 1hi0P1 PRO 482 HA 0.07 0.09 0.41 -0.51 4.44 4.50 1hi0P1 PRO 482 HB2 -0.07 -0.03 0.06 -0.04 2.28 2.21 1hi0P1 PRO 482 HB3 -0.20 0.04 0.06 -0.04 2.02 1.88 1hi0P1 PRO 482 HG2 0.09 -0.05 -0.07 -0.04 2.03 1.95 1hi0P1 PRO 482 HG3 0.06 0.00 -0.05 -0.04 2.03 1.99 1hi0P1 PRO 482 HD2 0.06 0.13 0.27 -0.04 3.68 4.10 1hi0P1 PRO 482 HD3 0.03 0.31 0.24 -0.04 3.65 4.20 1hi0P1 SER 483 H 0.06 0.21 -0.44 -0.55 8.46 7.75 1hi0P1 SER 483 HA 0.09 0.21 0.91 -0.75 4.49 4.95 1hi0P1 SER 483 HB2 0.15 0.03 -0.17 -0.04 3.95 3.91 1hi0P1 SER 483 HB3 0.10 0.11 0.00 -0.04 3.93 4.10 1hi0P1 PRO 484 HA -0.12 0.32 0.71 -0.51 4.44 4.84 1hi0P1 PRO 484 HB2 -0.42 -0.04 0.09 -0.04 2.28 1.86 1hi0P1 PRO 484 HB3 -0.21 0.07 0.09 -0.04 2.02 1.92 1hi0P1 PRO 484 HG2 -1.62 -0.02 0.07 -0.04 2.03 0.42 1hi0P1 PRO 484 HG3 -0.44 -0.03 0.07 -0.04 2.03 1.59 1hi0P1 PRO 484 HD2 -0.09 0.07 0.25 -0.04 3.68 3.87 1hi0P1 PRO 484 HD3 -0.09 0.21 0.06 -0.04 3.65 3.79 1hi0P1 TYR 485 H -0.08 0.01 -0.06 -0.55 8.29 7.61 1hi0P1 TYR 485 HA 0.16 0.16 0.69 -0.75 4.56 4.82 1hi0P1 TYR 485 HB2 0.14 -0.04 0.07 -0.04 3.06 3.18 1hi0P1 TYR 485 HB3 0.19 0.03 -0.07 -0.04 2.98 3.09 1hi0P1 TYR 485 HD2 0.32 0.10 -0.04 -0.04 7.15 7.49 1hi0P1 TYR 485 HE2 0.04 0.08 -0.05 -0.04 6.85 6.88 1hi0P1 MET 486 H 0.13 0.05 -0.03 -0.55 8.47 8.07 1hi0P1 MET 486 HA -0.11 0.28 0.71 -0.75 4.52 4.64 1hi0P1 MET 486 HB2 0.07 -0.06 -0.16 -0.04 2.15 1.96 1hi0P1 MET 486 HB3 0.03 -0.01 -0.02 -0.04 2.03 1.98 1hi0P1 MET 486 HG2 0.10 -0.13 -0.44 -0.04 2.63 2.13 1hi0P1 MET 486 HG3 0.12 -0.04 -0.18 -0.04 2.56 2.42 1hi0P1 MET 486 HE3 0.18 -0.01 -0.11 -0.04 2.10 2.12 1hi0P1 LYS 487 H -0.19 0.17 0.04 -0.55 8.42 7.89 1hi0P1 LYS 487 HA -0.03 0.21 0.86 -0.75 4.32 4.60 1hi0P1 LYS 487 HB2 -0.18 -0.05 0.18 -0.04 1.87 1.77 1hi0P1 LYS 487 HB3 -0.02 0.01 0.04 -0.04 1.79 1.78 1hi0P1 LYS 487 HG2 -0.06 0.08 -0.00 -0.04 1.46 1.44 1hi0P1 LYS 487 HG3 -0.25 0.03 -0.12 -0.04 1.46 1.09 1hi0P1 LYS 487 HD2 -0.04 -0.04 -0.02 -0.04 1.69 1.55 1hi0P1 LYS 487 HD3 0.01 -0.06 -0.02 -0.04 1.68 1.58 1hi0P1 LYS 487 HE2 0.00 0.18 0.05 -0.04 2.99 3.18 1hi0P1 LYS 487 HE3 0.06 -0.07 -0.00 -0.04 2.99 2.93 1hi0P1 ILE 488 H 0.06 0.18 0.10 -0.55 8.25 8.04 1hi0P1 ILE 488 HA 0.13 0.26 0.83 -0.75 4.18 4.65 1hi0P1 ILE 488 HB 0.13 0.00 -0.03 -0.04 1.89 1.95 1hi0P1 ILE 488 HG12 0.11 0.06 -0.15 -0.04 1.49 1.47 1hi0P1 ILE 488 HG13 0.20 -0.00 -0.16 -0.04 1.21 1.21 1hi0P1 ILE 488 HG23 0.25 0.01 -0.02 -0.04 0.93 1.12 1hi0P1 ILE 488 HD13 0.13 -0.03 -0.47 -0.04 0.88 0.48 1hi0P1 SER 489 H 0.12 0.35 0.37 -0.55 8.46 8.76 1hi0P1 SER 489 HA 0.14 0.10 0.47 -0.75 4.49 4.44 1hi0P1 SER 489 HB2 0.03 0.03 0.15 -0.04 3.95 4.11 1hi0P1 SER 489 HB3 0.06 0.12 -0.02 -0.04 3.93 4.05 1hi0P1 TYR 490 H 0.30 0.23 0.13 -0.55 8.29 8.39 1hi0P1 TYR 490 HA 0.06 0.20 0.87 -0.75 4.56 4.93 1hi0P1 TYR 490 HB2 0.07 0.07 0.07 -0.04 3.06 3.24 1hi0P1 TYR 490 HB3 0.10 -0.08 0.01 -0.04 2.98 2.97 1hi0P1 TYR 490 HD2 0.14 0.11 -0.21 -0.04 7.15 7.14 1hi0P1 TYR 490 HE2 0.13 0.03 -0.10 -0.04 6.85 6.88 1hi0P1 GLU 491 H 0.13 0.69 0.19 -0.55 8.60 9.06 1hi0P1 GLU 491 HA -0.02 -0.00 0.42 -0.75 4.29 3.94 1hi0P1 GLU 491 HB2 0.07 0.15 -0.10 -0.04 2.09 2.17 1hi0P1 GLU 491 HB3 0.11 -0.07 0.07 -0.04 1.99 2.05 1hi0P1 GLU 491 HG2 0.08 0.17 -0.56 -0.04 2.34 1.98 1hi0P1 GLU 491 HG3 0.05 -0.05 -0.11 -0.04 2.34 2.19 1hi0P1 HIS 492 H 0.02 0.14 0.06 -0.55 8.41 8.08 1hi0P1 HIS 492 HA 0.15 0.03 0.57 -0.75 4.63 4.62 1hi0P1 HIS 492 HB2 -0.14 0.06 0.08 -0.04 3.26 3.22 1hi0P1 HIS 492 HB3 -0.03 -0.04 0.19 -0.04 3.20 3.28 1hi0P1 HIS 492 HD2 0.22 0.03 -0.04 -0.04 6.97 7.14 1hi0P1 HIS 492 HE1 0.05 -0.03 -0.04 -0.04 7.75 7.69 1hi0P1 GLY 493 H 0.03 0.36 0.29 -0.55 8.43 8.56 1hi0P1 GLY 493 HA2 -0.02 0.01 0.32 -0.51 4.01 3.82 1hi0P1 GLY 493 HA3 -0.02 0.08 0.81 -0.51 4.01 4.37 1hi0P1 GLY 494 H 0.14 0.49 0.33 -0.55 8.43 8.84 1hi0P1 GLY 494 HA2 0.12 0.02 0.46 -0.51 4.01 4.10 1hi0P1 GLY 494 HA3 0.16 -0.01 0.42 -0.51 4.01 4.07 1hi0P1 ALA 495 H 0.12 0.28 0.28 -0.55 8.40 8.53 1hi0P1 ALA 495 HA 0.19 0.07 0.72 -0.75 4.34 4.57 1hi0P1 ALA 495 HB3 0.08 0.00 -0.24 -0.04 1.41 1.21 1hi0P1 PHE 496 H 0.22 0.76 0.14 -0.55 8.34 8.90 1hi0P1 PHE 496 HA -0.02 0.11 0.84 -0.75 4.62 4.80 1hi0P1 PHE 496 HB2 0.04 0.06 -0.28 -0.04 3.15 2.93 1hi0P1 PHE 496 HB3 -0.07 -0.00 -0.04 -0.04 3.06 2.91 1hi0P1 PHE 496 HD2 -0.27 -0.05 -0.22 -0.04 7.28 6.70 1hi0P1 PHE 496 HE2 -0.56 0.06 -0.27 -0.04 7.38 6.57 1hi0P1 PHE 496 HZ -0.58 0.12 -0.39 -0.04 7.32 6.42 1hi0P1 LEU 497 H -0.38 0.18 0.03 -0.55 8.37 7.65 1hi0P1 LEU 497 HA -0.38 0.05 0.27 -0.75 4.35 3.54 1hi0P1 LEU 497 HB2 -1.33 0.01 -0.55 -0.04 1.64 -0.27 1hi0P1 LEU 497 HB3 -0.54 0.02 0.22 -0.04 1.64 1.30 1hi0P1 LEU 497 HG -0.44 0.09 0.04 -0.04 1.64 1.29 1hi0P1 LEU 497 HD13 -0.31 -0.00 -0.01 -0.04 0.93 0.56 1hi0P1 LEU 497 HD23 -0.78 0.01 -0.16 -0.04 0.89 -0.08 1hi0P1 GLY 498 H -0.13 0.07 -0.29 -0.55 8.43 7.54 1hi0P1 GLY 498 HA2 -0.05 -0.02 0.21 -0.51 4.01 3.64 1hi0P1 GLY 498 HA3 -0.13 0.15 0.42 -0.51 4.01 3.94 1hi0P1 ASP 499 H -0.14 0.37 -0.67 -0.55 8.40 7.41 1hi0P1 ASP 499 HA 0.00 0.13 0.96 -0.75 4.63 4.96 1hi0P1 ASP 499 HB2 -0.28 0.11 -0.01 -0.04 2.71 2.49 1hi0P1 ASP 499 HB3 0.03 0.02 -0.12 -0.04 2.70 2.60 1hi0P1 ILE 500 H 0.09 0.49 0.18 -0.55 8.25 8.47 1hi0P1 ILE 500 HA 0.12 0.09 0.72 -0.75 4.18 4.36 1hi0P1 ILE 500 HB 0.06 0.04 0.04 -0.04 1.89 1.98 1hi0P1 ILE 500 HG12 0.06 0.03 -0.14 -0.04 1.49 1.40 1hi0P1 ILE 500 HG13 0.06 -0.10 -0.09 -0.04 1.21 1.04 1hi0P1 ILE 500 HG23 0.02 0.03 -0.24 -0.04 0.93 0.70 1hi0P1 ILE 500 HD13 0.02 0.01 0.01 -0.04 0.88 0.89 1hi0P1 LEU 501 H 0.05 0.50 0.28 -0.55 8.37 8.64 1hi0P1 LEU 501 HA -0.61 0.07 0.66 -0.75 4.35 3.72 1hi0P1 LEU 501 HB2 -0.33 -0.03 -0.06 -0.04 1.64 1.17 1hi0P1 LEU 501 HB3 -0.18 0.04 0.12 -0.04 1.64 1.58 1hi0P1 LEU 501 HG -0.98 -0.04 -0.30 -0.04 1.64 0.27 1hi0P1 LEU 501 HD13 -1.10 0.03 -0.26 -0.04 0.93 -0.43 1hi0P1 LEU 501 HD23 -0.29 -0.00 -0.17 -0.04 0.89 0.39 1hi0P1 LEU 502 H -0.27 0.91 0.34 -0.55 8.37 8.80 1hi0P1 LEU 502 HA -0.06 0.35 0.96 -0.75 4.35 4.85 1hi0P1 LEU 502 HB2 -0.03 -0.06 -0.01 -0.04 1.64 1.50 1hi0P1 LEU 502 HB3 -0.07 -0.00 0.19 -0.04 1.64 1.72 1hi0P1 LEU 502 HG 0.03 0.03 -0.19 -0.04 1.64 1.46 1hi0P1 LEU 502 HD13 0.04 0.04 -0.16 -0.04 0.93 0.81 1hi0P1 LEU 502 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 1hi0P1 TYR 503 H 0.13 0.59 0.35 -0.55 8.29 8.81 1hi0P1 TYR 503 HA 0.01 0.09 0.59 -0.75 4.56 4.49 1hi0P1 TYR 503 HB2 0.11 0.02 -0.06 -0.04 3.06 3.09 1hi0P1 TYR 503 HB3 0.05 -0.06 0.03 -0.04 2.98 2.96 1hi0P1 TYR 503 HD2 0.05 -0.07 -0.15 -0.04 7.15 6.94 1hi0P1 TYR 503 HE2 0.06 -0.03 -0.24 -0.04 6.85 6.60 1hi0P1 ASP 504 H 0.17 0.01 0.12 -0.55 8.40 8.15 1hi0P1 ASP 504 HA 0.12 0.20 0.83 -0.75 4.63 5.02 1hi0P1 ASP 504 HB2 0.06 -0.15 0.28 -0.04 2.71 2.86 1hi0P1 ASP 504 HB3 0.06 0.20 0.13 -0.04 2.70 3.04 1hi0P1 SER 505 H 0.04 0.16 0.17 -0.55 8.46 8.28 1hi0P1 SER 505 HA -0.03 0.13 0.41 -0.75 4.49 4.24 1hi0P1 SER 505 HB2 -0.02 0.06 0.04 -0.04 3.95 3.98 1hi0P1 SER 505 HB3 -0.00 0.01 0.12 -0.04 3.93 4.02 1hi0P1 ARG 506 H 0.03 0.01 -0.09 -0.55 8.46 7.86 1hi0P1 ARG 506 HA -0.00 0.08 0.35 -0.75 4.34 4.02 1hi0P1 ARG 506 HB2 0.06 -0.11 0.07 -0.04 1.90 1.87 1hi0P1 ARG 506 HB3 0.03 0.07 -0.04 -0.04 1.80 1.82 1hi0P1 ARG 506 HG2 0.03 -0.07 0.09 -0.04 1.67 1.68 1hi0P1 ARG 506 HG3 0.03 0.04 0.04 -0.04 1.67 1.75 1hi0P1 ARG 506 HD2 0.01 0.04 0.02 -0.04 3.22 3.26 1hi0P1 ARG 506 HD3 0.01 -0.00 0.00 -0.04 3.22 3.18 1hi0P1 ARG 507 H 0.08 -0.07 -0.33 -0.55 8.46 7.58 1hi0P1 ARG 507 HA -0.01 -0.02 0.21 -0.75 4.34 3.76 1hi0P1 ARG 507 HB2 -0.11 0.30 0.26 -0.04 1.90 2.30 1hi0P1 ARG 507 HB3 -0.25 -0.07 0.19 -0.04 1.80 1.63 1hi0P1 ARG 507 HG2 -0.06 0.16 -0.39 -0.04 1.67 1.34 1hi0P1 ARG 507 HG3 -0.11 -0.06 -0.07 -0.04 1.67 1.39 1hi0P1 ARG 507 HD2 -0.15 -0.07 -0.05 -0.04 3.22 2.91 1hi0P1 ARG 507 HD3 0.03 0.18 -0.08 -0.04 3.22 3.31 1hi0P1 GLU 508 H 0.19 0.03 -0.05 -0.55 8.60 8.23 1hi0P1 GLU 508 HA 0.13 0.31 0.79 -0.75 4.29 4.77 1hi0P1 GLU 508 HB2 0.09 -0.20 -0.04 -0.04 2.09 1.91 1hi0P1 GLU 508 HB3 0.11 0.15 0.06 -0.04 1.99 2.26 1hi0P1 GLU 508 HG2 0.03 0.22 -0.30 -0.04 2.34 2.26 1hi0P1 GLU 508 HG3 0.04 -0.19 -0.70 -0.04 2.34 1.45 1hi0P1 PRO 509 HA 0.07 -0.01 0.22 -0.51 4.44 4.21 1hi0P1 PRO 509 HB2 0.19 0.43 -0.03 -0.04 2.28 2.82 1hi0P1 PRO 509 HB3 0.12 0.15 -0.05 -0.04 2.02 2.20 1hi0P1 PRO 509 HG2 0.33 -0.10 -0.56 -0.04 2.03 1.66 1hi0P1 PRO 509 HG3 0.34 -0.03 -0.12 -0.04 2.03 2.19 1hi0P1 PRO 509 HD2 0.19 0.24 0.03 -0.04 3.68 4.10 1hi0P1 PRO 509 HD3 0.23 0.14 0.12 -0.04 3.65 4.09 1hi0P1 GLY 510 H 0.09 0.03 -0.30 -0.55 8.43 7.70 1hi0P1 GLY 510 HA2 0.00 0.22 0.64 -0.51 4.01 4.36 1hi0P1 GLY 510 HA3 0.04 -0.02 0.33 -0.51 4.01 3.85 1hi0P1 SER 511 H 0.06 0.14 -0.13 -0.55 8.46 7.98 1hi0P1 SER 511 HA 0.01 0.16 0.66 -0.75 4.49 4.56 1hi0P1 SER 511 HB2 0.04 -0.06 0.21 -0.04 3.95 4.10 1hi0P1 SER 511 HB3 0.04 -0.01 0.08 -0.04 3.93 4.00 1hi0P1 ALA 512 H -0.05 0.32 -0.73 -0.55 8.40 7.39 1hi0P1 ALA 512 HA -0.11 0.24 0.97 -0.75 4.34 4.70 1hi0P1 ALA 512 HB3 -0.35 0.01 -0.20 -0.04 1.41 0.82 1hi0P1 ILE 513 H -0.23 0.59 0.28 -0.55 8.25 8.34 1hi0P1 ILE 513 HA -0.15 0.15 0.75 -0.75 4.18 4.17 1hi0P1 ILE 513 HB -0.03 0.02 -0.02 -0.04 1.89 1.81 1hi0P1 ILE 513 HG12 -0.05 0.05 -0.05 -0.04 1.49 1.40 1hi0P1 ILE 513 HG13 -0.07 -0.05 -0.03 -0.04 1.21 1.02 1hi0P1 ILE 513 HG23 -0.04 -0.00 -0.18 -0.04 0.93 0.67 1hi0P1 ILE 513 HD13 -0.01 -0.01 -0.09 -0.04 0.88 0.73 1hi0P1 PHE 514 H 0.06 0.13 0.15 -0.55 8.34 8.13 1hi0P1 PHE 514 HA -0.08 0.33 0.89 -0.75 4.62 5.01 1hi0P1 PHE 514 HB2 -0.07 0.04 0.19 -0.04 3.15 3.27 1hi0P1 PHE 514 HB3 -0.06 -0.06 -0.03 -0.04 3.06 2.88 1hi0P1 PHE 514 HD2 -0.08 0.04 -0.31 -0.04 7.28 6.89 1hi0P1 PHE 514 HE2 -0.11 0.02 -0.31 -0.04 7.38 6.94 1hi0P1 PHE 514 HZ -0.13 0.01 -0.18 -0.04 7.32 6.97 1hi0P1 VAL 515 H 0.13 0.75 0.36 -0.55 8.24 8.92 1hi0P1 VAL 515 HA 0.03 0.09 0.82 -0.75 4.13 4.31 1hi0P1 VAL 515 HB 0.02 -0.07 -0.11 -0.04 2.12 1.93 1hi0P1 VAL 515 HG13 0.01 0.01 -0.29 -0.04 0.97 0.66 1hi0P1 VAL 515 HG23 0.03 0.05 -0.06 -0.04 0.95 0.94 1hi0P1 GLY 516 H -0.02 0.07 0.13 -0.55 8.43 8.07 1hi0P1 GLY 516 HA2 -0.03 0.11 0.56 -0.51 4.01 4.13 1hi0P1 GLY 516 HA3 -0.07 0.17 0.40 -0.51 4.01 4.00 1hi0P1 ASN 517 H 0.08 0.30 0.24 -0.55 8.53 8.62 1hi0P1 ASN 517 HA 0.09 0.19 0.76 -0.75 4.76 5.04 1hi0P1 ASN 517 HB2 0.06 0.17 0.08 -0.04 2.88 3.15 1hi0P1 ASN 517 HB3 0.11 -0.02 0.21 -0.04 2.79 3.05 1hi0P1 ASN 517 HD21 0.01 0.02 -0.04 -0.04 7.03 6.98 1hi0P1 ASN 517 HD22 0.03 0.09 -0.05 -0.04 7.74 7.76 1hi0P1 ILE 518 H 0.10 0.32 0.16 -0.55 8.25 8.28 1hi0P1 ILE 518 HA 0.13 0.08 0.32 -0.75 4.18 3.96 1hi0P1 ILE 518 HB 0.11 0.07 0.06 -0.04 1.89 2.10 1hi0P1 ILE 518 HG12 0.08 0.05 -0.11 -0.04 1.49 1.47 1hi0P1 ILE 518 HG13 0.12 -0.04 -0.11 -0.04 1.21 1.14 1hi0P1 ILE 518 HG23 0.15 0.03 -0.08 -0.04 0.93 0.99 1hi0P1 ILE 518 HD13 0.13 -0.00 -0.04 -0.04 0.88 0.93 1hi0P1 ASN 519 H 0.04 0.15 -0.11 -0.55 8.53 8.06 1hi0P1 ASN 519 HA 0.12 0.09 0.36 -0.75 4.76 4.57 1hi0P1 ASN 519 HB2 -0.11 -0.01 0.08 -0.04 2.88 2.80 1hi0P1 ASN 519 HB3 -0.01 0.06 -0.10 -0.04 2.79 2.69 1hi0P1 ASN 519 HD21 -0.03 -0.03 -0.05 -0.04 7.03 6.88 1hi0P1 ASN 519 HD22 0.00 0.01 -0.16 -0.04 7.74 7.55 1hi0P1 SER 520 H 0.10 0.15 -0.44 -0.55 8.46 7.72 1hi0P1 SER 520 HA 0.09 0.05 0.34 -0.75 4.49 4.22 1hi0P1 SER 520 HB2 0.28 0.22 0.08 -0.04 3.95 4.49 1hi0P1 SER 520 HB3 0.18 0.01 -0.01 -0.04 3.93 4.07 1hi0P1 MET 521 H -0.09 0.31 -0.33 -0.55 8.47 7.82 1hi0P1 MET 521 HA -0.46 0.03 0.35 -0.75 4.52 3.69 1hi0P1 MET 521 HB2 -1.64 -0.01 0.06 -0.04 2.15 0.52 1hi0P1 MET 521 HB3 -0.31 0.09 0.09 -0.04 2.03 1.86 1hi0P1 MET 521 HG2 -0.21 -0.01 -0.15 -0.04 2.63 2.21 1hi0P1 MET 521 HG3 -0.86 -0.01 -0.03 -0.04 2.56 1.61 1hi0P1 MET 521 HE3 0.02 0.00 -0.10 -0.04 2.10 1.98 1hi0P1 LEU 522 H 0.04 0.39 -0.13 -0.55 8.37 8.13 1hi0P1 LEU 522 HA 0.24 -0.01 0.32 -0.75 4.35 4.14 1hi0P1 LEU 522 HB2 0.21 0.09 0.16 -0.04 1.64 2.06 1hi0P1 LEU 522 HB3 0.29 0.00 -0.04 -0.04 1.64 1.85 1hi0P1 LEU 522 HG 0.16 -0.01 -0.01 -0.04 1.64 1.73 1hi0P1 LEU 522 HD13 0.28 -0.01 -0.07 -0.04 0.93 1.09 1hi0P1 LEU 522 HD23 0.32 -0.01 -0.07 -0.04 0.89 1.09 1hi0P1 ASN 523 H 0.11 0.79 -0.06 -0.55 8.53 8.83 1hi0P1 ASN 523 HA 0.16 0.01 0.23 -0.75 4.76 4.40 1hi0P1 ASN 523 HB2 0.09 0.00 0.08 -0.04 2.88 3.01 1hi0P1 ASN 523 HB3 0.08 0.02 -0.14 -0.04 2.79 2.71 1hi0P1 ASN 523 HD21 0.04 -0.05 -0.20 -0.04 7.03 6.78 1hi0P1 ASN 523 HD22 0.06 -0.05 -0.18 -0.04 7.74 7.53 1hi0P1 ASN 524 H 0.08 0.63 -0.22 -0.55 8.53 8.48 1hi0P1 ASN 524 HA 0.09 0.01 0.32 -0.75 4.76 4.42 1hi0P1 ASN 524 HB2 0.10 0.08 0.14 -0.04 2.88 3.16 1hi0P1 ASN 524 HB3 0.12 -0.05 -0.05 -0.04 2.79 2.77 1hi0P1 ASN 524 HD21 0.16 -0.06 -0.05 -0.04 7.03 7.04 1hi0P1 ASN 524 HD22 0.20 -0.04 -0.05 -0.04 7.74 7.81 1hi0P1 GLN 525 H -0.03 0.56 -0.09 -0.55 8.47 8.36 1hi0P1 GLN 525 HA 0.05 0.07 0.44 -0.75 4.36 4.16 1hi0P1 GLN 525 HB2 -0.47 0.07 0.04 -0.04 2.15 1.75 1hi0P1 GLN 525 HB3 -0.72 -0.08 -0.02 -0.04 2.02 1.16 1hi0P1 GLN 525 HG2 0.13 -0.02 -0.05 -0.04 2.40 2.42 1hi0P1 GLN 525 HG3 0.03 0.05 -0.01 -0.04 2.39 2.42 1hi0P1 GLN 525 HE21 0.27 -0.08 -0.09 -0.04 6.97 7.03 1hi0P1 GLN 525 HE22 0.13 0.02 -0.08 -0.04 7.69 7.72 1hi0P1 PHE 526 H 0.09 0.47 -0.18 -0.55 8.34 8.17 1hi0P1 PHE 526 HA 0.53 0.20 1.09 -0.75 4.62 5.68 1hi0P1 PHE 526 HB2 0.25 0.03 -0.01 -0.04 3.15 3.38 1hi0P1 PHE 526 HB3 0.38 -0.03 0.11 -0.04 3.06 3.47 1hi0P1 PHE 526 HD2 0.57 0.04 -0.05 -0.04 7.28 7.81 1hi0P1 PHE 526 HE2 0.04 -0.06 -0.10 -0.04 7.38 7.21 1hi0P1 PHE 526 HZ -0.45 -0.10 -0.11 -0.04 7.32 6.63 1hi0P1 SER 527 H 0.19 0.46 -0.08 -0.55 8.46 8.49 1hi0P1 SER 527 HA 0.23 0.14 0.87 -0.75 4.49 4.97 1hi0P1 SER 527 HB2 0.17 -0.06 0.07 -0.04 3.95 4.10 1hi0P1 SER 527 HB3 0.13 -0.06 0.10 -0.04 3.93 4.06 1hi0P1 PRO 528 HA 0.05 -0.01 0.48 -0.51 4.44 4.45 1hi0P1 PRO 528 HB2 0.01 0.12 0.10 -0.04 2.28 2.47 1hi0P1 PRO 528 HB3 -0.02 0.10 0.15 -0.04 2.02 2.20 1hi0P1 PRO 528 HG2 -0.01 -0.09 -0.03 -0.04 2.03 1.85 1hi0P1 PRO 528 HG3 -0.19 0.14 0.07 -0.04 2.03 2.01 1hi0P1 PRO 528 HD2 0.14 0.11 -0.25 -0.04 3.68 3.64 1hi0P1 PRO 528 HD3 0.04 0.18 -0.25 -0.04 3.65 3.59 1hi0P1 GLU 529 H 0.06 0.11 0.19 -0.55 8.60 8.41 1hi0P1 GLU 529 HA -0.12 0.08 0.53 -0.75 4.29 4.03 1hi0P1 GLU 529 HB2 0.04 -0.01 0.13 -0.04 2.09 2.20 1hi0P1 GLU 529 HB3 -0.39 -0.04 0.12 -0.04 1.99 1.63 1hi0P1 GLU 529 HG2 -0.10 -0.02 0.04 -0.04 2.34 2.22 1hi0P1 GLU 529 HG3 -0.01 0.04 0.03 -0.04 2.34 2.35 1hi0P1 TYR 530 H 0.12 0.28 -0.08 -0.55 8.29 8.07 1hi0P1 TYR 530 HA -0.03 0.12 0.68 -0.75 4.56 4.57 1hi0P1 TYR 530 HB2 -0.03 0.08 -0.07 -0.04 3.06 3.00 1hi0P1 TYR 530 HB3 -0.03 -0.08 0.10 -0.04 2.98 2.92 1hi0P1 TYR 530 HD2 -0.01 -0.04 -0.06 -0.04 7.15 7.00 1hi0P1 TYR 530 HE2 0.00 -0.01 -0.03 -0.04 6.85 6.76 1hi0P1 GLY 531 H 0.08 0.04 0.07 -0.55 8.43 8.07 1hi0P1 GLY 531 HA2 -0.02 0.30 0.42 -0.51 4.01 4.20 1hi0P1 GLY 531 HA3 -0.00 -0.23 0.31 -0.51 4.01 3.58 1hi0P1 VAL 532 H -0.02 0.34 0.16 -0.55 8.24 8.17 1hi0P1 VAL 532 HA -0.04 0.32 0.58 -0.75 4.13 4.23 1hi0P1 VAL 532 HB -0.02 0.04 0.13 -0.04 2.12 2.22 1hi0P1 VAL 532 HG13 -0.01 0.04 -0.06 -0.04 0.97 0.90 1hi0P1 VAL 532 HG23 -0.00 -0.04 -0.11 -0.04 0.95 0.75 1hi0P1 GLN 533 H -0.02 0.01 -0.37 -0.55 8.47 7.54 1hi0P1 GLN 533 HA -0.02 -0.04 0.29 -0.75 4.36 3.83 1hi0P1 GLN 533 HB2 -0.06 0.19 -0.06 -0.04 2.15 2.18 1hi0P1 GLN 533 HB3 -0.04 -0.09 0.21 -0.04 2.02 2.05 1hi0P1 GLN 533 HG2 -0.03 0.02 0.02 -0.04 2.40 2.37 1hi0P1 GLN 533 HG3 -0.01 -0.03 -0.07 -0.04 2.39 2.23 1hi0P1 GLN 533 HE21 -0.12 0.05 0.09 -0.04 6.97 6.94 1hi0P1 GLN 533 HE22 -0.05 0.04 0.01 -0.04 7.69 7.65 1hi0P1 SER 534 H -0.02 0.00 -0.26 -0.55 8.46 7.63 1hi0P1 SER 534 HA -0.03 0.24 0.29 -0.75 4.49 4.23 1hi0P1 SER 534 HB2 -0.01 0.03 0.01 -0.04 3.95 3.95 1hi0P1 SER 534 HB3 -0.01 0.03 0.06 -0.04 3.93 3.97 1hi0P1 GLY 535 H -0.02 -0.12 -0.76 -0.55 8.43 6.98 1hi0P1 GLY 535 HA2 -0.01 0.08 0.40 -0.51 4.01 3.97 1hi0P1 GLY 535 HA3 -0.01 -0.04 0.18 -0.51 4.01 3.62 1hi0P1 VAL 536 H -0.03 0.47 -0.12 -0.55 8.24 8.01 1hi0P1 VAL 536 HA -0.02 -0.03 0.52 -0.75 4.13 3.84 1hi0P1 VAL 536 HB -0.05 0.15 0.06 -0.04 2.12 2.24 1hi0P1 VAL 536 HG13 -0.03 -0.03 -0.18 -0.04 0.97 0.69 1hi0P1 VAL 536 HG23 -0.04 -0.03 -0.00 -0.04 0.95 0.85 1hi0P1 ARG 537 H -0.00 0.10 0.18 -0.55 8.46 8.18 1hi0P1 ARG 537 HA 0.01 0.14 0.29 -0.75 4.34 4.02 1hi0P1 ARG 537 HB2 0.01 -0.09 0.13 -0.04 1.90 1.91 1hi0P1 ARG 537 HB3 0.02 0.00 0.04 -0.04 1.80 1.82 1hi0P1 ARG 537 HG2 -0.00 0.02 0.14 -0.04 1.67 1.79 1hi0P1 ARG 537 HG3 0.00 -0.04 0.06 -0.04 1.67 1.65 1hi0P1 ARG 537 HD2 0.01 -0.02 0.03 -0.04 3.22 3.19 1hi0P1 ARG 537 HD3 0.00 0.11 -0.14 -0.04 3.22 3.15 1hi0P1 ASP 538 H 0.01 0.03 -0.14 -0.55 8.40 7.76 1hi0P1 ASP 538 HA 0.17 0.13 0.65 -0.75 4.63 4.83 1hi0P1 ASP 538 HB2 0.04 -0.01 0.09 -0.04 2.71 2.79 1hi0P1 ASP 538 HB3 0.02 -0.01 0.14 -0.04 2.70 2.81 1hi0P1 ARG 539 H 0.10 0.27 0.21 -0.55 8.46 8.48 1hi0P1 ARG 539 HA -0.24 0.13 0.35 -0.75 4.34 3.82 1hi0P1 ARG 539 HB2 -0.97 -0.05 0.10 -0.04 1.90 0.95 1hi0P1 ARG 539 HB3 -0.96 0.10 0.10 -0.04 1.80 1.00 1hi0P1 ARG 539 HG2 -0.26 0.08 0.07 -0.04 1.67 1.52 1hi0P1 ARG 539 HG3 -0.07 0.08 0.09 -0.04 1.67 1.73 1hi0P1 ARG 539 HD2 0.01 -0.03 0.06 -0.04 3.22 3.21 1hi0P1 ARG 539 HD3 -0.22 -0.04 0.01 -0.04 3.22 2.93 1hi0P1 SER 540 H -0.04 0.02 -0.26 -0.55 8.46 7.63 1hi0P1 SER 540 HA -0.12 0.10 0.35 -0.75 4.49 4.07 1hi0P1 SER 540 HB2 0.05 0.42 0.18 -0.04 3.95 4.55 1hi0P1 SER 540 HB3 0.13 -0.08 0.10 -0.04 3.93 4.04 1hi0P1 LYS 541 H -0.06 0.31 -0.55 -0.55 8.42 7.56 1hi0P1 LYS 541 HA -0.05 0.28 0.54 -0.75 4.32 4.33 1hi0P1 LYS 541 HB2 -0.03 0.11 0.05 -0.04 1.87 1.96 1hi0P1 LYS 541 HB3 -0.04 -0.04 0.01 -0.04 1.79 1.68 1hi0P1 LYS 541 HG2 -0.03 -0.00 -0.22 -0.04 1.46 1.17 1hi0P1 LYS 541 HG3 -0.00 -0.05 -0.14 -0.04 1.46 1.23 1hi0P1 LYS 541 HD2 -0.01 -0.07 0.01 -0.04 1.69 1.59 1hi0P1 LYS 541 HD3 -0.02 0.02 0.01 -0.04 1.68 1.64 1hi0P1 LYS 541 HE2 -0.03 0.02 0.09 -0.04 2.99 3.03 1hi0P1 LYS 541 HE3 -0.01 -0.05 0.04 -0.04 2.99 2.93 1hi0P1 ARG 542 H -0.14 0.27 -0.24 -0.55 8.46 7.80 1hi0P1 ARG 542 HA -0.11 -0.02 0.44 -0.75 4.34 3.90 1hi0P1 ARG 542 HB2 -0.20 0.16 -0.15 -0.04 1.90 1.67 1hi0P1 ARG 542 HB3 -0.14 -0.17 -0.11 -0.04 1.80 1.34 1hi0P1 ARG 542 HG2 -0.09 -0.11 -0.02 -0.04 1.67 1.40 1hi0P1 ARG 542 HG3 -0.13 0.03 -0.05 -0.04 1.67 1.48 1hi0P1 ARG 542 HD2 -0.23 0.03 -0.01 -0.04 3.22 2.97 1hi0P1 ARG 542 HD3 -0.12 0.10 -0.09 -0.04 3.22 3.07 1hi0P1 LYS 543 H -0.17 0.06 0.08 -0.55 8.42 7.84 1hi0P1 LYS 543 HA -0.25 0.13 0.42 -0.75 4.32 3.87 1hi0P1 LYS 543 HB2 -0.34 0.01 0.01 -0.04 1.87 1.50 1hi0P1 LYS 543 HB3 -0.81 -0.04 0.06 -0.04 1.79 0.95 1hi0P1 LYS 543 HG2 -0.29 0.01 0.05 -0.04 1.46 1.18 1hi0P1 LYS 543 HG3 -0.61 -0.05 0.02 -0.04 1.46 0.77 1hi0P1 LYS 543 HD2 -1.24 -0.05 -0.01 -0.04 1.69 0.35 1hi0P1 LYS 543 HD3 -0.41 0.07 -0.03 -0.04 1.68 1.27 1hi0P1 LYS 543 HE2 -0.16 0.11 -0.03 -0.04 2.99 2.86 1hi0P1 LYS 543 HE3 -0.15 -0.05 -0.01 -0.04 2.99 2.73 1hi0P1 ARG 544 H -0.13 -0.01 -0.42 -0.55 8.46 7.35 1hi0P1 ARG 544 HA -0.06 0.30 0.66 -0.75 4.34 4.49 1hi0P1 ARG 544 HB2 -0.05 -0.06 0.08 -0.04 1.90 1.83 1hi0P1 ARG 544 HB3 -0.02 -0.01 0.11 -0.04 1.80 1.84 1hi0P1 ARG 544 HG2 0.03 0.12 0.04 -0.04 1.67 1.82 1hi0P1 ARG 544 HG3 -0.02 -0.18 -0.61 -0.04 1.67 0.82 1hi0P1 ARG 544 HD2 0.08 -0.12 -0.06 -0.04 3.22 3.08 1hi0P1 ARG 544 HD3 0.01 0.12 -0.26 -0.04 3.22 3.06 1hi0P1 PRO 545 HA -0.53 0.02 0.40 -0.51 4.44 3.83 1hi0P1 PRO 545 HB2 -0.17 0.06 0.11 -0.04 2.28 2.24 1hi0P1 PRO 545 HB3 -0.60 -0.10 -0.11 -0.04 2.02 1.17 1hi0P1 PRO 545 HG2 -0.07 -0.04 0.00 -0.04 2.03 1.89 1hi0P1 PRO 545 HG3 -0.18 0.23 0.01 -0.04 2.03 2.06 1hi0P1 PRO 545 HD2 -0.06 0.21 -0.15 -0.04 3.68 3.64 1hi0P1 PRO 545 HD3 -0.11 0.19 -0.52 -0.04 3.65 3.17 1hi0P1 PHE 546 H -0.03 0.54 -0.13 -0.55 8.34 8.16 1hi0P1 PHE 546 HA -0.05 0.19 0.93 -0.75 4.62 4.93 1hi0P1 PHE 546 HB2 -0.05 -0.03 -0.01 -0.04 3.15 3.02 1hi0P1 PHE 546 HB3 -0.05 -0.13 0.03 -0.04 3.06 2.87 1hi0P1 PHE 546 HD2 -0.09 0.03 -0.04 -0.04 7.28 7.14 1hi0P1 PHE 546 HE2 -0.21 0.01 -0.18 -0.04 7.38 6.96 1hi0P1 PHE 546 HZ -0.90 -0.01 -0.10 -0.04 7.32 6.27 1hi0P1 PRO 547 HA 0.10 0.11 0.39 -0.51 4.44 4.52 1hi0P1 PRO 547 HB2 0.11 -0.10 0.08 -0.04 2.28 2.32 1hi0P1 PRO 547 HB3 0.16 0.10 0.09 -0.04 2.02 2.34 1hi0P1 PRO 547 HG2 0.01 -0.02 0.09 -0.04 2.03 2.07 1hi0P1 PRO 547 HG3 -0.00 0.15 0.07 -0.04 2.03 2.20 1hi0P1 PRO 547 HD2 -0.03 -0.00 0.13 -0.04 3.68 3.74 1hi0P1 PRO 547 HD3 -0.12 0.50 -0.50 -0.04 3.65 3.48 1hi0P1 GLY 548 H 0.04 0.16 -0.24 -0.55 8.43 7.84 1hi0P1 GLY 548 HA2 -0.08 0.06 0.29 -0.51 4.01 3.77 1hi0P1 GLY 548 HA3 -0.05 0.10 0.02 -0.51 4.01 3.57 1hi0P1 LEU 549 H 0.09 0.50 -0.32 -0.55 8.37 8.09 1hi0P1 LEU 549 HA 0.06 0.01 0.37 -0.75 4.35 4.03 1hi0P1 LEU 549 HB2 0.08 0.20 -0.01 -0.04 1.64 1.86 1hi0P1 LEU 549 HB3 0.02 -0.11 0.00 -0.04 1.64 1.51 1hi0P1 LEU 549 HG 0.13 0.08 -0.02 -0.04 1.64 1.79 1hi0P1 LEU 549 HD13 -0.12 0.00 -0.07 -0.04 0.93 0.70 1hi0P1 LEU 549 HD23 -0.03 -0.02 -0.16 -0.04 0.89 0.64 1hi0P1 ALA 550 H 0.12 0.45 -0.28 -0.55 8.40 8.15 1hi0P1 ALA 550 HA 0.10 -0.03 0.21 -0.75 4.34 3.87 1hi0P1 ALA 550 HB3 0.16 0.05 0.01 -0.04 1.41 1.59 1hi0P1 TRP 551 H 0.26 0.41 -0.61 -0.55 7.97 7.48 1hi0P1 TRP 551 HA 0.00 0.03 0.39 -0.75 4.62 4.28 1hi0P1 TRP 551 HB2 -0.13 0.07 0.09 -0.04 3.23 3.22 1hi0P1 TRP 551 HB3 -0.08 0.06 0.06 -0.04 3.23 3.23 1hi0P1 TRP 551 HD1 -0.08 0.01 -0.16 -0.04 7.22 6.95 1hi0P1 TRP 551 HE1 -0.07 -0.02 -0.06 -0.04 10.20 10.00 1hi0P1 TRP 551 HE3 -0.07 0.06 -0.05 -0.04 7.59 7.48 1hi0P1 TRP 551 HZ2 -0.06 -0.06 -0.01 -0.04 7.44 7.27 1hi0P1 TRP 551 HZ3 0.14 0.04 -0.07 -0.04 7.13 7.20 1hi0P1 TRP 551 HH2 0.07 -0.04 -0.07 -0.04 7.19 7.11 1hi0P1 ALA 552 H 0.13 0.42 -0.09 -0.55 8.40 8.31 1hi0P1 ALA 552 HA -0.05 0.03 0.42 -0.75 4.34 4.00 1hi0P1 ALA 552 HB3 0.01 0.03 0.08 -0.04 1.41 1.50 1hi0P1 SER 553 H 0.01 0.31 -0.26 -0.55 8.46 7.98 1hi0P1 SER 553 HA -0.06 0.11 0.70 -0.75 4.49 4.49 1hi0P1 SER 553 HB2 -0.04 -0.06 0.11 -0.04 3.95 3.92 1hi0P1 SER 553 HB3 -0.04 -0.01 0.07 -0.04 3.93 3.91 1hi0P1 MET 554 H -0.07 0.37 -0.46 -0.55 8.47 7.76 1hi0P1 MET 554 HA 0.17 0.03 0.31 -0.75 4.52 4.27 1hi0P1 MET 554 HB2 -0.04 0.14 0.11 -0.04 2.15 2.32 1hi0P1 MET 554 HB3 -0.38 0.14 0.14 -0.04 2.03 1.90 1hi0P1 MET 554 HG2 0.15 -0.05 -0.46 -0.04 2.63 2.23 1hi0P1 MET 554 HG3 0.19 -0.04 -0.08 -0.04 2.56 2.59 1hi0P1 MET 554 HE3 -1.36 -0.00 -0.03 -0.04 2.10 0.66 1hi0P1 LYS 555 H -0.13 0.28 -0.12 -0.55 8.42 7.89 1hi0P1 LYS 555 HA -0.10 0.03 0.37 -0.75 4.32 3.86 1hi0P1 LYS 555 HB2 -0.04 0.02 0.09 -0.04 1.87 1.90 1hi0P1 LYS 555 HB3 -0.08 0.04 0.07 -0.04 1.79 1.78 1hi0P1 LYS 555 HG2 -0.02 0.02 -0.02 -0.04 1.46 1.40 1hi0P1 LYS 555 HG3 -0.06 0.02 -0.21 -0.04 1.46 1.16 1hi0P1 LYS 555 HD2 -0.05 -0.06 0.11 -0.04 1.69 1.65 1hi0P1 LYS 555 HD3 0.20 -0.00 0.02 -0.04 1.68 1.86 1hi0P1 LYS 555 HE2 0.05 0.01 -0.01 -0.04 2.99 2.99 1hi0P1 LYS 555 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 1hi0P1 ASP 556 H -0.09 0.14 -0.37 -0.55 8.40 7.54 1hi0P1 ASP 556 HA -0.10 0.05 0.44 -0.75 4.63 4.26 1hi0P1 ASP 556 HB2 -0.08 -0.01 0.11 -0.04 2.71 2.70 1hi0P1 ASP 556 HB3 -0.08 0.13 0.18 -0.04 2.70 2.89 1hi0P1 THR 557 H -0.11 0.76 0.08 -0.55 8.28 8.47 1hi0P1 THR 557 HA -0.21 0.01 0.44 -0.75 4.39 3.87 1hi0P1 THR 557 HB -0.22 0.04 0.08 -0.04 4.32 4.17 1hi0P1 THR 557 HG23 -1.04 -0.01 -0.14 -0.04 1.22 -0.01 1hi0P1 TYR 558 H -0.08 0.75 -0.05 -0.55 8.29 8.35 1hi0P1 TYR 558 HA -0.11 0.17 1.09 -0.75 4.56 4.95 1hi0P1 TYR 558 HB2 -0.08 0.05 -0.05 -0.04 3.06 2.94 1hi0P1 TYR 558 HB3 -0.01 -0.08 0.03 -0.04 2.98 2.88 1hi0P1 TYR 558 HD2 0.02 0.04 -0.15 -0.04 7.15 7.02 1hi0P1 TYR 558 HE2 0.05 0.05 -0.08 -0.04 6.85 6.83 1hi0P1 GLY 559 H -0.37 0.56 -0.02 -0.55 8.43 8.06 1hi0P1 GLY 559 HA2 -1.38 -0.09 0.40 -0.51 4.01 2.43 1hi0P1 GLY 559 HA3 -0.39 0.16 0.42 -0.51 4.01 3.70 1hi0P1 ALA 560 H -0.15 0.13 -0.28 -0.55 8.40 7.55 1hi0P1 ALA 560 HA -0.04 0.05 0.36 -0.75 4.34 3.96 1hi0P1 ALA 560 HB3 -0.04 -0.02 0.08 -0.04 1.41 1.39 1hi0P1 CYS 561 H -0.05 0.49 -0.38 -0.55 8.50 8.01 1hi0P1 CYS 561 HA 0.04 0.11 0.43 -0.75 4.58 4.42 1hi0P1 CYS 561 HB2 0.10 0.07 0.13 -0.04 2.97 3.23 1hi0P1 CYS 561 HB3 0.13 -0.16 0.05 -0.04 2.97 2.95 1hi0P1 PRO 562 HA 0.07 0.08 0.45 -0.51 4.44 4.53 1hi0P1 PRO 562 HB2 0.07 0.12 0.06 -0.04 2.28 2.49 1hi0P1 PRO 562 HB3 0.07 0.01 0.09 -0.04 2.02 2.15 1hi0P1 PRO 562 HG2 0.05 0.07 -0.17 -0.04 2.03 1.93 1hi0P1 PRO 562 HG3 0.05 0.05 0.07 -0.04 2.03 2.16 1hi0P1 PRO 562 HD2 0.05 0.07 0.15 -0.04 3.68 3.91 1hi0P1 PRO 562 HD3 0.04 0.18 0.21 -0.04 3.65 4.04 1hi0P1 ILE 563 H 0.05 0.16 -0.22 -0.55 8.25 7.69 1hi0P1 ILE 563 HA 0.05 0.25 1.03 -0.75 4.18 4.77 1hi0P1 ILE 563 HB -0.48 -0.10 0.18 -0.04 1.89 1.45 1hi0P1 ILE 563 HG12 -0.02 0.19 0.05 -0.04 1.49 1.67 1hi0P1 ILE 563 HG13 -0.08 -0.06 -0.14 -0.04 1.21 0.88 1hi0P1 ILE 563 HG23 0.13 0.03 -0.04 -0.04 0.93 1.01 1hi0P1 ILE 563 HD13 -0.36 -0.01 -0.02 -0.04 0.88 0.44 1hi0P1 TYR 564 H 0.18 0.65 -0.35 -0.55 8.29 8.22 1hi0P1 TYR 564 HA -0.00 -0.01 0.30 -0.75 4.56 4.10 1hi0P1 TYR 564 HB2 0.04 0.29 0.13 -0.04 3.06 3.48 1hi0P1 TYR 564 HB3 0.02 -0.09 0.19 -0.04 2.98 3.06 1hi0P1 TYR 564 HD2 0.02 0.00 -0.03 -0.04 7.15 7.10 1hi0P1 TYR 564 HE2 -0.03 -0.01 -0.10 -0.04 6.85 6.66 1hi0P1 SER 565 H 0.14 0.26 -0.03 -0.55 8.46 8.29 1hi0P1 SER 565 HA -0.21 -0.01 0.31 -0.75 4.49 3.84 1hi0P1 SER 565 HB2 0.05 0.03 0.01 -0.04 3.95 4.00 1hi0P1 SER 565 HB3 0.01 0.00 0.01 -0.04 3.93 3.91 1hi0P1 ASP 566 H 0.02 0.13 -0.47 -0.55 8.40 7.53 1hi0P1 ASP 566 HA 0.07 0.00 0.39 -0.75 4.63 4.34 1hi0P1 ASP 566 HB2 -0.15 0.16 0.12 -0.04 2.71 2.80 1hi0P1 ASP 566 HB3 0.27 0.00 0.02 -0.04 2.70 2.95 1hi0P1 VAL 567 H -0.12 0.70 0.04 -0.55 8.24 8.32 1hi0P1 VAL 567 HA -0.08 0.00 0.43 -0.75 4.13 3.73 1hi0P1 VAL 567 HB -0.05 0.15 0.17 -0.04 2.12 2.35 1hi0P1 VAL 567 HG13 0.03 -0.02 -0.18 -0.04 0.97 0.76 1hi0P1 VAL 567 HG23 -0.21 0.01 0.00 -0.04 0.95 0.71 1hi0P1 LEU 568 H -0.14 0.54 -0.08 -0.55 8.37 8.14 1hi0P1 LEU 568 HA 0.08 -0.01 0.34 -0.75 4.35 4.00 1hi0P1 LEU 568 HB2 -0.20 0.13 0.07 -0.04 1.64 1.60 1hi0P1 LEU 568 HB3 -0.02 -0.06 -0.03 -0.04 1.64 1.49 1hi0P1 LEU 568 HG -0.38 0.05 -0.05 -0.04 1.64 1.22 1hi0P1 LEU 568 HD13 -0.80 -0.01 -0.11 -0.04 0.93 -0.03 1hi0P1 LEU 568 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.87 1hi0P1 GLU 569 H -0.00 0.58 -0.25 -0.55 8.60 8.39 1hi0P1 GLU 569 HA 0.07 -0.06 0.45 -0.75 4.29 3.99 1hi0P1 GLU 569 HB2 0.04 0.21 0.21 -0.04 2.09 2.51 1hi0P1 GLU 569 HB3 0.04 -0.04 -0.02 -0.04 1.99 1.93 1hi0P1 GLU 569 HG2 0.04 -0.08 0.04 -0.04 2.34 2.29 1hi0P1 GLU 569 HG3 0.02 0.04 0.04 -0.04 2.34 2.40 1hi0P1 ALA 570 H 0.03 0.73 0.04 -0.55 8.40 8.65 1hi0P1 ALA 570 HA -0.14 -0.02 0.42 -0.75 4.34 3.85 1hi0P1 ALA 570 HB3 -0.00 0.03 0.12 -0.04 1.41 1.51 1hi0P1 ILE 571 H 0.07 0.79 -0.12 -0.55 8.25 8.44 1hi0P1 ILE 571 HA 0.19 0.02 0.35 -0.75 4.18 3.99 1hi0P1 ILE 571 HB 0.17 0.13 0.18 -0.04 1.89 2.33 1hi0P1 ILE 571 HG12 0.16 -0.01 -0.04 -0.04 1.49 1.56 1hi0P1 ILE 571 HG13 0.11 0.15 -0.03 -0.04 1.21 1.40 1hi0P1 ILE 571 HG23 -0.07 -0.03 -0.21 -0.04 0.93 0.58 1hi0P1 ILE 571 HD13 0.36 -0.02 -0.12 -0.04 0.88 1.06 1hi0P1 GLU 572 H 0.17 0.78 0.05 -0.55 8.60 9.05 1hi0P1 GLU 572 HA 0.30 -0.20 0.42 -0.75 4.29 4.05 1hi0P1 GLU 572 HB2 0.20 0.08 0.19 -0.04 2.09 2.52 1hi0P1 GLU 572 HB3 0.15 0.19 0.20 -0.04 1.99 2.49 1hi0P1 GLU 572 HG2 0.17 0.03 0.03 -0.04 2.34 2.52 1hi0P1 GLU 572 HG3 0.28 0.06 -0.08 -0.04 2.34 2.55 1hi0P1 ARG 573 H 0.14 0.64 -0.35 -0.55 8.46 8.33 1hi0P1 ARG 573 HA 0.19 -0.02 0.46 -0.75 4.34 4.22 1hi0P1 ARG 573 HB2 0.02 0.08 0.14 -0.04 1.90 2.10 1hi0P1 ARG 573 HB3 -0.03 0.15 0.24 -0.04 1.80 2.12 1hi0P1 ARG 573 HG2 -0.01 -0.01 -0.11 -0.04 1.67 1.49 1hi0P1 ARG 573 HG3 0.01 -0.06 0.04 -0.04 1.67 1.62 1hi0P1 ARG 573 HD2 -0.07 -0.02 -0.01 -0.04 3.22 3.08 1hi0P1 ARG 573 HD3 -0.06 -0.02 -0.01 -0.04 3.22 3.10 1hi0P1 CYS 574 H 0.13 0.77 0.17 -0.55 8.50 9.02 1hi0P1 CYS 574 HA 0.13 -0.02 0.42 -0.75 4.58 4.36 1hi0P1 CYS 574 HB2 0.22 0.07 0.14 -0.04 2.97 3.36 1hi0P1 CYS 574 HB3 0.08 -0.02 0.08 -0.04 2.97 3.08 1hi0P1 TRP 575 H 0.51 0.73 -0.25 -0.55 7.97 8.42 1hi0P1 TRP 575 HA 0.01 0.05 0.48 -0.75 4.62 4.40 1hi0P1 TRP 575 HB2 -0.21 0.05 0.02 -0.04 3.23 3.05 1hi0P1 TRP 575 HB3 0.08 0.03 0.08 -0.04 3.23 3.38 1hi0P1 TRP 575 HD1 -0.16 0.25 -0.34 -0.04 7.22 6.94 1hi0P1 TRP 575 HE1 -0.59 -0.01 -0.22 -0.04 10.20 9.34 1hi0P1 TRP 575 HE3 -2.04 0.02 -0.06 -0.04 7.59 5.47 1hi0P1 TRP 575 HZ2 -1.35 0.00 -0.08 -0.04 7.44 5.97 1hi0P1 TRP 575 HZ3 0.06 0.08 -0.06 -0.04 7.13 7.18 1hi0P1 TRP 575 HH2 -0.23 0.04 -0.07 -0.04 7.19 6.89 1hi0P1 TRP 576 H 0.50 0.45 -0.16 -0.55 7.97 8.21 1hi0P1 TRP 576 HA 0.19 -0.06 0.57 -0.75 4.62 4.56 1hi0P1 TRP 576 HB2 0.13 0.22 0.38 -0.04 3.23 3.91 1hi0P1 TRP 576 HB3 0.07 -0.02 0.07 -0.04 3.23 3.31 1hi0P1 TRP 576 HD1 0.15 0.03 0.05 -0.04 7.22 7.41 1hi0P1 TRP 576 HE1 0.09 -0.13 -0.22 -0.04 10.20 9.89 1hi0P1 TRP 576 HE3 0.04 0.05 -0.10 -0.04 7.59 7.54 1hi0P1 TRP 576 HZ2 0.05 -0.04 -0.12 -0.04 7.44 7.29 1hi0P1 TRP 576 HZ3 0.03 0.03 -0.03 -0.04 7.13 7.11 1hi0P1 TRP 576 HH2 0.04 0.02 -0.06 -0.04 7.19 7.14 1hi0P1 ASN 577 H 0.27 0.46 0.01 -0.55 8.53 8.73 1hi0P1 ASN 577 HA 0.15 -0.01 0.31 -0.75 4.76 4.46 1hi0P1 ASN 577 HB2 0.06 0.12 0.09 -0.04 2.88 3.11 1hi0P1 ASN 577 HB3 0.04 -0.03 0.04 -0.04 2.79 2.80 1hi0P1 ASN 577 HD21 0.09 -0.03 -0.00 -0.04 7.03 7.04 1hi0P1 ASN 577 HD22 0.13 -0.01 0.02 -0.04 7.74 7.84 1hi0P1 ALA 578 H -0.04 0.30 -0.51 -0.55 8.40 7.60 1hi0P1 ALA 578 HA -0.31 0.10 0.65 -0.75 4.34 4.03 1hi0P1 ALA 578 HB3 -0.49 -0.01 0.09 -0.04 1.41 0.96 1hi0P1 PHE 579 H -0.27 0.55 0.10 -0.55 8.34 8.17 1hi0P1 PHE 579 HA -0.32 0.21 1.06 -0.75 4.62 4.82 1hi0P1 PHE 579 HB2 -0.64 0.01 -0.00 -0.04 3.15 2.48 1hi0P1 PHE 579 HB3 -0.38 -0.05 0.02 -0.04 3.06 2.62 1hi0P1 PHE 579 HD2 -1.21 0.08 0.01 -0.04 7.28 6.11 1hi0P1 PHE 579 HE2 -1.04 -0.02 -0.07 -0.04 7.38 6.20 1hi0P1 PHE 579 HZ -0.32 -0.04 -0.14 -0.04 7.32 6.78 1hi0P1 GLY 580 H -0.29 0.65 0.23 -0.55 8.43 8.48 1hi0P1 GLY 580 HA2 -0.78 0.03 0.37 -0.51 4.01 3.11 1hi0P1 GLY 580 HA3 -0.34 0.04 0.49 -0.51 4.01 3.69 1hi0P1 GLU 581 H -0.78 0.24 0.01 -0.55 8.60 7.53 1hi0P1 GLU 581 HA -0.53 0.14 0.68 -0.75 4.29 3.82 1hi0P1 GLU 581 HB2 0.03 -0.03 -0.26 -0.04 2.09 1.79 1hi0P1 GLU 581 HB3 -0.10 -0.07 -0.01 -0.04 1.99 1.77 1hi0P1 GLU 581 HG2 -0.25 0.30 -0.95 -0.04 2.34 1.40 1hi0P1 GLU 581 HG3 -0.10 0.02 -0.33 -0.04 2.34 1.89 1hi0P1 SER 582 H -0.01 0.17 0.10 -0.55 8.46 8.17 1hi0P1 SER 582 HA 0.33 0.20 0.69 -0.75 4.49 4.95 1hi0P1 SER 582 HB2 0.35 0.14 0.09 -0.04 3.95 4.49 1hi0P1 SER 582 HB3 0.11 0.04 0.19 -0.04 3.93 4.23 1hi0P1 TYR 583 H 0.16 0.30 0.19 -0.55 8.29 8.40 1hi0P1 TYR 583 HA -1.01 0.14 0.37 -0.75 4.56 3.31 1hi0P1 TYR 583 HB2 -0.70 0.11 0.04 -0.04 3.06 2.46 1hi0P1 TYR 583 HB3 -0.19 -0.04 0.06 -0.04 2.98 2.76 1hi0P1 TYR 583 HD2 -1.50 -0.01 -0.09 -0.04 7.15 5.52 1hi0P1 TYR 583 HE2 -0.20 0.05 -0.07 -0.04 6.85 6.58 1hi0P1 ARG 584 H 0.03 0.10 -0.12 -0.55 8.46 7.92 1hi0P1 ARG 584 HA -0.32 0.11 0.30 -0.75 4.34 3.68 1hi0P1 ARG 584 HB2 0.16 0.04 0.08 -0.04 1.90 2.14 1hi0P1 ARG 584 HB3 0.06 -0.05 0.05 -0.04 1.80 1.82 1hi0P1 ARG 584 HG2 0.10 0.01 -0.19 -0.04 1.67 1.56 1hi0P1 ARG 584 HG3 0.36 0.02 -0.00 -0.04 1.67 2.00 1hi0P1 ARG 584 HD2 0.16 0.03 -0.04 -0.04 3.22 3.33 1hi0P1 ARG 584 HD3 0.22 0.02 -0.02 -0.04 3.22 3.40 1hi0P1 ALA 585 H -0.08 0.04 -0.31 -0.55 8.40 7.50 1hi0P1 ALA 585 HA -0.12 0.06 0.36 -0.75 4.34 3.89 1hi0P1 ALA 585 HB3 -0.03 0.05 0.08 -0.04 1.41 1.47 1hi0P1 TYR 586 H -0.23 0.50 -0.22 -0.55 8.29 7.78 1hi0P1 TYR 586 HA -0.31 0.02 0.39 -0.75 4.56 3.90 1hi0P1 TYR 586 HB2 -0.36 0.03 0.08 -0.04 3.06 2.76 1hi0P1 TYR 586 HB3 -0.88 0.18 0.22 -0.04 2.98 2.45 1hi0P1 TYR 586 HD2 -0.62 -0.01 -0.01 -0.04 7.15 6.46 1hi0P1 TYR 586 HE2 -0.27 0.04 -0.06 -0.04 6.85 6.52 1hi0P1 ARG 587 H -1.05 0.62 -0.06 -0.55 8.46 7.41 1hi0P1 ARG 587 HA -1.07 0.02 0.37 -0.75 4.34 2.90 1hi0P1 ARG 587 HB2 -2.79 0.07 0.06 -0.04 1.90 -0.81 1hi0P1 ARG 587 HB3 -1.77 -0.03 0.06 -0.04 1.80 0.02 1hi0P1 ARG 587 HG2 -2.24 0.21 0.05 -0.04 1.67 -0.35 1hi0P1 ARG 587 HG3 -1.98 -0.03 -0.03 -0.04 1.67 -0.42 1hi0P1 ARG 587 HD2 -1.24 -0.07 -0.06 -0.04 3.22 1.80 1hi0P1 ARG 587 HD3 -1.21 0.02 -0.04 -0.04 3.22 1.95 1hi0P1 GLU 588 H -0.64 0.44 -0.36 -0.55 8.60 7.49 1hi0P1 GLU 588 HA -0.25 0.01 0.45 -0.75 4.29 3.75 1hi0P1 GLU 588 HB2 -0.23 0.16 0.20 -0.04 2.09 2.19 1hi0P1 GLU 588 HB3 -0.12 -0.01 0.00 -0.04 1.99 1.82 1hi0P1 GLU 588 HG2 0.01 -0.03 0.00 -0.04 2.34 2.28 1hi0P1 GLU 588 HG3 0.07 -0.03 0.03 -0.04 2.34 2.38 1hi0P1 ASP 589 H -0.29 0.62 -0.05 -0.55 8.40 8.13 1hi0P1 ASP 589 HA -0.12 -0.00 0.49 -0.75 4.63 4.24 1hi0P1 ASP 589 HB2 -0.20 0.15 0.20 -0.04 2.71 2.81 1hi0P1 ASP 589 HB3 -0.11 -0.05 0.04 -0.04 2.70 2.53 1hi0P1 MET 590 H -0.44 0.63 -0.00 -0.55 8.47 8.11 1hi0P1 MET 590 HA -0.22 -0.01 0.37 -0.75 4.52 3.91 1hi0P1 MET 590 HB2 -0.70 0.10 0.12 -0.04 2.15 1.63 1hi0P1 MET 590 HB3 -0.46 0.12 0.11 -0.04 2.03 1.76 1hi0P1 MET 590 HG2 -0.17 -0.14 0.01 -0.04 2.63 2.29 1hi0P1 MET 590 HG3 -0.26 -0.01 0.07 -0.04 2.56 2.32 1hi0P1 MET 590 HE3 -1.29 0.01 -0.06 -0.04 2.10 0.72 1hi0P1 LEU 591 H -0.27 0.56 -0.39 -0.55 8.37 7.73 1hi0P1 LEU 591 HA -0.04 -0.06 0.22 -0.75 4.35 3.71 1hi0P1 LEU 591 HB2 -0.09 0.24 0.22 -0.04 1.64 1.97 1hi0P1 LEU 591 HB3 -0.02 0.06 0.11 -0.04 1.64 1.74 1hi0P1 LEU 591 HG 0.13 0.10 0.04 -0.04 1.64 1.88 1hi0P1 LEU 591 HD13 0.23 -0.02 -0.05 -0.04 0.93 1.04 1hi0P1 LEU 591 HD23 0.02 -0.04 -0.10 -0.04 0.89 0.73 1hi0P1 LYS 592 H -0.08 0.60 0.01 -0.55 8.42 8.39 1hi0P1 LYS 592 HA -0.03 -0.03 0.41 -0.75 4.32 3.92 1hi0P1 LYS 592 HB2 -0.06 0.09 0.24 -0.04 1.87 2.10 1hi0P1 LYS 592 HB3 -0.03 -0.04 0.03 -0.04 1.79 1.71 1hi0P1 LYS 592 HG2 -0.02 -0.06 0.06 -0.04 1.46 1.39 1hi0P1 LYS 592 HG3 -0.04 0.19 0.11 -0.04 1.46 1.67 1hi0P1 LYS 592 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 1hi0P1 LYS 592 HD3 -0.02 -0.04 0.00 -0.04 1.68 1.59 1hi0P1 LYS 592 HE2 -0.04 -0.00 -0.11 -0.04 2.99 2.79 1hi0P1 LYS 592 HE3 -0.05 0.01 0.00 -0.04 2.99 2.91 1hi0P1 ARG 593 H -0.06 0.71 -0.05 -0.55 8.46 8.51 1hi0P1 ARG 593 HA -0.01 -0.01 0.37 -0.75 4.34 3.93 1hi0P1 ARG 593 HB2 -0.07 0.13 0.18 -0.04 1.90 2.11 1hi0P1 ARG 593 HB3 -0.02 -0.01 0.00 -0.04 1.80 1.73 1hi0P1 ARG 593 HG2 -0.02 -0.01 0.03 -0.04 1.67 1.62 1hi0P1 ARG 593 HG3 -0.03 -0.04 0.05 -0.04 1.67 1.60 1hi0P1 ARG 593 HD2 -0.04 -0.03 -0.03 -0.04 3.22 3.08 1hi0P1 ARG 593 HD3 -0.08 0.04 -0.12 -0.04 3.22 3.01 1hi0P1 ASP 594 H -0.02 0.70 -0.04 -0.55 8.40 8.50 1hi0P1 ASP 594 HA 0.12 0.02 0.43 -0.75 4.63 4.46 1hi0P1 ASP 594 HB2 0.03 0.13 0.09 -0.04 2.71 2.92 1hi0P1 ASP 594 HB3 0.14 -0.03 -0.05 -0.04 2.70 2.71 1hi0P1 THR 595 H -0.01 0.69 -0.16 -0.55 8.28 8.24 1hi0P1 THR 595 HA -0.08 -0.04 0.36 -0.75 4.39 3.87 1hi0P1 THR 595 HB -0.02 0.12 0.11 -0.04 4.32 4.48 1hi0P1 THR 595 HG23 -0.04 -0.04 -0.11 -0.04 1.22 0.99 1hi0P1 LEU 596 H -0.01 0.54 -0.17 -0.55 8.37 8.18 1hi0P1 LEU 596 HA -0.01 0.01 0.38 -0.75 4.35 3.98 1hi0P1 LEU 596 HB2 0.01 0.16 0.20 -0.04 1.64 1.97 1hi0P1 LEU 596 HB3 0.01 -0.04 0.00 -0.04 1.64 1.57 1hi0P1 LEU 596 HG -0.01 0.15 0.06 -0.04 1.64 1.80 1hi0P1 LEU 596 HD13 -0.01 -0.03 -0.02 -0.04 0.93 0.83 1hi0P1 LEU 596 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 1hi0P1 GLU 597 H 0.06 0.58 0.03 -0.55 8.60 8.71 1hi0P1 GLU 597 HA 0.14 -0.01 0.39 -0.75 4.29 4.05 1hi0P1 GLU 597 HB2 0.12 0.05 0.14 -0.04 2.09 2.37 1hi0P1 GLU 597 HB3 0.28 0.06 0.13 -0.04 1.99 2.42 1hi0P1 GLU 597 HG2 0.16 0.01 0.03 -0.04 2.34 2.50 1hi0P1 GLU 597 HG3 0.40 -0.01 -0.04 -0.04 2.34 2.64 1hi0P1 LEU 598 H -0.06 0.70 -0.20 -0.55 8.37 8.27 1hi0P1 LEU 598 HA -0.47 -0.02 0.29 -0.75 4.35 3.41 1hi0P1 LEU 598 HB2 -0.75 0.03 0.08 -0.04 1.64 0.96 1hi0P1 LEU 598 HB3 -0.25 0.17 0.12 -0.04 1.64 1.63 1hi0P1 LEU 598 HG -0.26 -0.04 -0.27 -0.04 1.64 1.03 1hi0P1 LEU 598 HD13 -0.93 -0.01 -0.03 -0.04 0.93 -0.08 1hi0P1 LEU 598 HD23 -0.27 -0.02 -0.07 -0.04 0.89 0.49 1hi0P1 SER 599 H -0.04 0.46 -0.19 -0.55 8.46 8.14 1hi0P1 SER 599 HA -0.03 -0.05 0.42 -0.75 4.49 4.07 1hi0P1 SER 599 HB2 -0.02 0.03 0.03 -0.04 3.95 3.95 1hi0P1 SER 599 HB3 -0.03 0.00 0.11 -0.04 3.93 3.98 1hi0P1 ARG 600 H 0.10 0.50 -0.41 -0.55 8.46 8.09 1hi0P1 ARG 600 HA -0.03 -0.00 0.40 -0.75 4.34 3.95 1hi0P1 ARG 600 HB2 0.03 -0.05 0.14 -0.04 1.90 1.97 1hi0P1 ARG 600 HB3 0.12 0.20 0.14 -0.04 1.80 2.22 1hi0P1 ARG 600 HG2 -0.30 -0.02 0.10 -0.04 1.67 1.42 1hi0P1 ARG 600 HG3 -0.09 -0.06 0.11 -0.04 1.67 1.59 1hi0P1 ARG 600 HD2 0.02 0.04 0.04 -0.04 3.22 3.28 1hi0P1 ARG 600 HD3 -0.14 -0.06 0.03 -0.04 3.22 3.01 1hi0P1 TYR 601 H 0.21 0.68 -0.34 -0.55 8.29 8.29 1hi0P1 TYR 601 HA 0.03 0.12 0.93 -0.75 4.56 4.89 1hi0P1 TYR 601 HB2 0.06 0.11 0.10 -0.04 3.06 3.28 1hi0P1 TYR 601 HB3 0.09 -0.06 0.05 -0.04 2.98 3.01 1hi0P1 TYR 601 HD2 0.13 0.14 -0.02 -0.04 7.15 7.36 1hi0P1 TYR 601 HE2 0.08 -0.08 0.03 -0.04 6.85 6.84 1hi0P1 VAL 602 H 0.05 0.33 0.08 -0.55 8.24 8.15 1hi0P1 VAL 602 HA 0.03 0.11 0.81 -0.75 4.13 4.32 1hi0P1 VAL 602 HB -0.03 0.02 0.05 -0.04 2.12 2.13 1hi0P1 VAL 602 HG13 -0.02 -0.04 -0.16 -0.04 0.97 0.71 1hi0P1 VAL 602 HG23 -0.06 0.06 -0.10 -0.04 0.95 0.82 1hi0P1 ALA 603 H 0.01 0.14 0.13 -0.55 8.40 8.13 1hi0P1 ALA 603 HA -0.01 0.16 0.38 -0.75 4.34 4.12 1hi0P1 ALA 603 HB3 -0.00 -0.03 0.13 -0.04 1.41 1.46 1hi0P1 SER 604 H -0.01 0.05 0.03 -0.55 8.46 7.98 1hi0P1 SER 604 HA -0.02 0.04 0.24 -0.75 4.49 4.00 1hi0P1 SER 604 HB2 -0.02 0.00 0.02 -0.04 3.95 3.91 1hi0P1 SER 604 HB3 -0.02 -0.01 0.09 -0.04 3.93 3.96 1hi0P1 MET 605 H -0.02 0.11 -1.18 -0.55 8.47 6.84 1hi0P1 MET 605 HA -0.03 -0.07 0.63 -0.75 4.52 4.30 1hi0P1 MET 605 HB2 -0.03 0.24 0.09 -0.04 2.15 2.41 1hi0P1 MET 605 HB3 -0.03 0.10 0.04 -0.04 2.03 2.10 1hi0P1 MET 605 HG2 -0.04 -0.08 -0.05 -0.04 2.63 2.42 1hi0P1 MET 605 HG3 -0.05 -0.11 -0.09 -0.04 2.56 2.27 1hi0P1 MET 605 HE3 -0.08 -0.06 -0.07 -0.04 2.10 1.84 1hi0P1 ALA 606 H -0.02 0.04 0.27 -0.55 8.40 8.14 1hi0P1 ALA 606 HA -0.02 0.10 0.43 -0.75 4.34 4.10 1hi0P1 ALA 606 HB3 -0.02 -0.01 0.13 -0.04 1.41 1.47 1hi0P1 ARG 607 H -0.01 0.11 0.15 -0.55 8.46 8.16 1hi0P1 ARG 607 HA -0.01 0.23 0.35 -0.75 4.34 4.15 1hi0P1 ARG 607 HB2 -0.01 -0.08 0.15 -0.04 1.90 1.91 1hi0P1 ARG 607 HB3 -0.01 0.01 0.21 -0.04 1.80 1.97 1hi0P1 ARG 607 HG2 -0.02 0.08 0.05 -0.04 1.67 1.74 1hi0P1 ARG 607 HG3 -0.02 0.07 0.12 -0.04 1.67 1.80 1hi0P1 ARG 607 HD2 -0.01 -0.02 0.05 -0.04 3.22 3.19 1hi0P1 ARG 607 HD3 -0.02 0.01 0.04 -0.04 3.22 3.22 1hi0P1 GLN 608 H -0.02 0.71 -0.52 -0.55 8.47 8.10 1hi0P1 GLN 608 HA -0.01 0.08 0.21 -0.75 4.36 3.88 1hi0P1 GLN 608 HB2 -0.01 -0.07 -0.37 -0.04 2.15 1.66 1hi0P1 GLN 608 HB3 -0.01 -0.09 0.08 -0.04 2.02 1.95 1hi0P1 GLN 608 HG2 -0.01 -0.06 0.12 -0.04 2.40 2.42 1hi0P1 GLN 608 HG3 -0.01 0.40 0.35 -0.04 2.39 3.09 1hi0P1 GLN 608 HE21 -0.01 -0.07 0.01 -0.04 6.97 6.87 1hi0P1 GLN 608 HE22 -0.01 0.10 0.05 -0.04 7.69 7.79 1hi0P1 ALA 609 H -0.02 0.45 0.15 -0.55 8.40 8.43 1hi0P1 ALA 609 HA -0.02 -0.02 0.55 -0.75 4.34 4.10 1hi0P1 ALA 609 HB3 -0.02 -0.01 0.23 -0.04 1.41 1.57 1hi0P1 GLY 610 H -0.02 0.05 0.21 -0.55 8.43 8.12 1hi0P1 GLY 610 HA2 -0.03 0.16 0.29 -0.51 4.01 3.92 1hi0P1 GLY 610 HA3 -0.02 -0.05 0.41 -0.51 4.01 3.84 1hi0P1 LEU 611 H -0.03 0.17 0.12 -0.55 8.37 8.09 1hi0P1 LEU 611 HA -0.05 0.17 0.53 -0.75 4.35 4.24 1hi0P1 LEU 611 HB2 -0.03 0.02 0.01 -0.04 1.64 1.60 1hi0P1 LEU 611 HB3 -0.05 0.02 0.10 -0.04 1.64 1.66 1hi0P1 LEU 611 HG -0.03 -0.05 0.04 -0.04 1.64 1.55 1hi0P1 LEU 611 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 1hi0P1 LEU 611 HD23 -0.07 0.03 -0.04 -0.04 0.89 0.77 1hi0P1 ALA 612 H -0.03 -0.04 -0.62 -0.55 8.40 7.17 1hi0P1 ALA 612 HA -0.03 0.07 0.29 -0.75 4.34 3.91 1hi0P1 ALA 612 HB3 -0.03 -0.00 0.01 -0.04 1.41 1.35 1hi0P1 GLU 613 H -0.04 0.10 -0.29 -0.55 8.60 7.83 1hi0P1 GLU 613 HA -0.04 0.10 0.37 -0.75 4.29 3.97 1hi0P1 GLU 613 HB2 -0.04 0.03 -0.04 -0.04 2.09 2.00 1hi0P1 GLU 613 HB3 -0.04 -0.03 0.01 -0.04 1.99 1.88 1hi0P1 GLU 613 HG2 -0.03 -0.08 -0.03 -0.04 2.34 2.17 1hi0P1 GLU 613 HG3 -0.03 0.03 -0.02 -0.04 2.34 2.28 1hi0P1 LEU 614 H -0.06 0.30 -0.35 -0.55 8.37 7.72 1hi0P1 LEU 614 HA -0.07 -0.02 0.62 -0.75 4.35 4.13 1hi0P1 LEU 614 HB2 -0.07 0.09 0.04 -0.04 1.64 1.65 1hi0P1 LEU 614 HB3 -0.08 -0.05 -0.00 -0.04 1.64 1.46 1hi0P1 LEU 614 HG -0.07 -0.02 -0.04 -0.04 1.64 1.47 1hi0P1 LEU 614 HD13 -0.10 0.01 -0.08 -0.04 0.93 0.72 1hi0P1 LEU 614 HD23 -0.07 -0.01 -0.13 -0.04 0.89 0.64 1hi0P1 THR 615 H -0.10 -0.01 0.21 -0.55 8.28 7.83 1hi0P1 THR 615 HA -0.10 0.30 0.71 -0.75 4.39 4.54 1hi0P1 THR 615 HB -0.12 0.11 0.14 -0.04 4.32 4.41 1hi0P1 THR 615 HG23 -0.11 0.03 0.11 -0.04 1.22 1.21 1hi0P1 PRO 616 HA -0.11 0.07 0.35 -0.51 4.44 4.24 1hi0P1 PRO 616 HB2 -0.16 0.04 0.05 -0.04 2.28 2.18 1hi0P1 PRO 616 HB3 -0.10 0.05 0.10 -0.04 2.02 2.03 1hi0P1 PRO 616 HG2 -0.10 0.08 0.10 -0.04 2.03 2.07 1hi0P1 PRO 616 HG3 -0.09 0.09 0.11 -0.04 2.03 2.10 1hi0P1 PRO 616 HD2 -0.15 0.07 0.21 -0.04 3.68 3.78 1hi0P1 PRO 616 HD3 -0.10 0.22 0.26 -0.04 3.65 3.99 1hi0P1 ILE 617 H -0.32 0.16 -0.14 -0.55 8.25 7.40 1hi0P1 ILE 617 HA -0.92 0.10 0.36 -0.75 4.18 2.97 1hi0P1 ILE 617 HB -0.50 -0.05 0.10 -0.04 1.89 1.40 1hi0P1 ILE 617 HG12 -1.34 0.05 0.01 -0.04 1.49 0.17 1hi0P1 ILE 617 HG13 -0.48 -0.11 0.06 -0.04 1.21 0.64 1hi0P1 ILE 617 HG23 -1.16 0.05 -0.20 -0.04 0.93 -0.43 1hi0P1 ILE 617 HD13 -0.60 0.02 0.03 -0.04 0.88 0.30 1hi0P1 ASP 618 H -0.25 0.02 -0.28 -0.55 8.40 7.34 1hi0P1 ASP 618 HA -0.15 0.04 0.26 -0.75 4.63 4.01 1hi0P1 ASP 618 HB2 -0.12 0.22 0.15 -0.04 2.71 2.92 1hi0P1 ASP 618 HB3 -0.10 0.04 -0.01 -0.04 2.70 2.59 1hi0P1 LEU 619 H -0.12 0.42 -0.27 -0.55 8.37 7.86 1hi0P1 LEU 619 HA -0.04 0.03 0.35 -0.75 4.35 3.94 1hi0P1 LEU 619 HB2 -0.05 0.08 0.06 -0.04 1.64 1.69 1hi0P1 LEU 619 HB3 -0.01 -0.00 -0.16 -0.04 1.64 1.43 1hi0P1 LEU 619 HG -0.08 0.14 -0.16 -0.04 1.64 1.51 1hi0P1 LEU 619 HD13 -0.04 0.00 -0.16 -0.04 0.93 0.69 1hi0P1 LEU 619 HD23 -0.06 -0.01 -0.09 -0.04 0.89 0.69 1hi0P1 GLU 620 H -0.08 0.60 -0.04 -0.55 8.60 8.53 1hi0P1 GLU 620 HA 0.10 -0.01 0.34 -0.75 4.29 3.96 1hi0P1 GLU 620 HB2 0.00 0.10 0.10 -0.04 2.09 2.25 1hi0P1 GLU 620 HB3 0.31 -0.01 -0.02 -0.04 1.99 2.23 1hi0P1 GLU 620 HG2 0.02 0.02 0.03 -0.04 2.34 2.37 1hi0P1 GLU 620 HG3 0.16 -0.02 -0.05 -0.04 2.34 2.39 1hi0P1 VAL 621 H -0.05 0.55 -0.34 -0.55 8.24 7.86 1hi0P1 VAL 621 HA 0.12 0.11 0.20 -0.75 4.13 3.81 1hi0P1 VAL 621 HB -0.04 0.08 -0.04 -0.04 2.12 2.07 1hi0P1 VAL 621 HG13 0.03 -0.01 -0.23 -0.04 0.97 0.71 1hi0P1 VAL 621 HG23 0.02 0.01 -0.19 -0.04 0.95 0.75 1hi0P1 LEU 622 H 0.02 0.43 -0.23 -0.55 8.37 8.04 1hi0P1 LEU 622 HA 0.10 0.09 0.39 -0.75 4.35 4.18 1hi0P1 LEU 622 HB2 0.03 0.07 0.12 -0.04 1.64 1.82 1hi0P1 LEU 622 HB3 0.19 -0.07 -0.03 -0.04 1.64 1.69 1hi0P1 LEU 622 HG -0.01 0.07 -0.01 -0.04 1.64 1.64 1hi0P1 LEU 622 HD13 -0.14 -0.05 -0.11 -0.04 0.93 0.59 1hi0P1 LEU 622 HD23 0.06 0.00 -0.04 -0.04 0.89 0.87 1hi0P1 ALA 623 H 0.08 0.32 -0.43 -0.55 8.40 7.83 1hi0P1 ALA 623 HA 0.08 -0.06 0.26 -0.75 4.34 3.86 1hi0P1 ALA 623 HB3 0.10 -0.01 -0.01 -0.04 1.41 1.45 1hi0P1 ASP 624 H 0.08 0.28 -0.37 -0.55 8.40 7.85 1hi0P1 ASP 624 HA 0.05 0.30 0.74 -0.75 4.63 4.97 1hi0P1 ASP 624 HB2 0.10 0.06 -0.14 -0.04 2.71 2.69 1hi0P1 ASP 624 HB3 0.12 0.03 0.16 -0.04 2.70 2.97 1hi0P1 PRO 625 HA 0.04 0.02 0.39 -0.51 4.44 4.38 1hi0P1 PRO 625 HB2 -0.03 0.02 -0.03 -0.04 2.28 2.19 1hi0P1 PRO 625 HB3 -0.02 -0.04 0.07 -0.04 2.02 1.99 1hi0P1 PRO 625 HG2 -0.05 0.18 -0.03 -0.04 2.03 2.09 1hi0P1 PRO 625 HG3 -0.00 0.06 0.03 -0.04 2.03 2.08 1hi0P1 PRO 625 HD2 -0.04 0.37 0.10 -0.04 3.68 4.07 1hi0P1 PRO 625 HD3 -0.00 0.09 -0.35 -0.04 3.65 3.35 1hi0P1 ASN 626 H 0.05 0.15 -0.64 -0.55 8.53 7.55 1hi0P1 ASN 626 HA 0.09 0.10 0.38 -0.75 4.76 4.58 1hi0P1 ASN 626 HB2 0.11 0.06 0.05 -0.04 2.88 3.06 1hi0P1 ASN 626 HB3 0.25 -0.01 -0.08 -0.04 2.79 2.91 1hi0P1 ASN 626 HD21 0.19 -0.02 -0.02 -0.04 7.03 7.14 1hi0P1 ASN 626 HD22 0.16 0.04 -0.00 -0.04 7.74 7.89 1hi0P1 LYS 627 H 0.10 0.49 -0.08 -0.55 8.42 8.38 1hi0P1 LYS 627 HA -0.90 -0.02 0.32 -0.75 4.32 2.96 1hi0P1 LYS 627 HB2 0.10 0.23 -0.00 -0.04 1.87 2.15 1hi0P1 LYS 627 HB3 -0.29 -0.09 -0.01 -0.04 1.79 1.36 1hi0P1 LYS 627 HG2 -0.31 -0.05 0.01 -0.04 1.46 1.08 1hi0P1 LYS 627 HG3 0.07 0.02 0.04 -0.04 1.46 1.54 1hi0P1 LYS 627 HD2 0.17 0.15 -0.07 -0.04 1.69 1.91 1hi0P1 LYS 627 HD3 0.12 -0.06 -0.08 -0.04 1.68 1.61 1hi0P1 LYS 627 HE2 0.12 -0.04 -0.05 -0.04 2.99 2.99 1hi0P1 LYS 627 HE3 -0.04 -0.02 -0.04 -0.04 2.99 2.85 1hi0P1 LEU 628 H 0.05 0.44 -0.97 -0.55 8.37 7.35 1hi0P1 LEU 628 HA 0.11 -0.03 0.35 -0.75 4.35 4.02 1hi0P1 LEU 628 HB2 0.07 -0.04 0.00 -0.04 1.64 1.63 1hi0P1 LEU 628 HB3 0.05 0.22 0.01 -0.04 1.64 1.88 1hi0P1 LEU 628 HG 0.11 -0.03 -0.03 -0.04 1.64 1.64 1hi0P1 LEU 628 HD13 0.16 -0.03 -0.25 -0.04 0.93 0.77 1hi0P1 LEU 628 HD23 -0.08 -0.00 -0.08 -0.04 0.89 0.69 1hi0P1 GLN 629 H 0.08 0.69 -0.29 -0.55 8.47 8.40 1hi0P1 GLN 629 HA 0.09 0.18 0.87 -0.75 4.36 4.76 1hi0P1 GLN 629 HB2 0.18 0.10 0.13 -0.04 2.15 2.52 1hi0P1 GLN 629 HB3 0.11 -0.07 0.19 -0.04 2.02 2.21 1hi0P1 GLN 629 HG2 0.08 0.05 -0.12 -0.04 2.40 2.36 1hi0P1 GLN 629 HG3 0.07 -0.05 -0.01 -0.04 2.39 2.36 1hi0P1 GLN 629 HE21 0.07 -0.04 -0.07 -0.04 6.97 6.89 1hi0P1 GLN 629 HE22 0.04 0.00 -0.09 -0.04 7.69 7.60 1hi0P1 TYR 630 H -0.11 0.17 -0.28 -0.55 8.29 7.52 1hi0P1 TYR 630 HA -0.05 0.05 0.32 -0.75 4.56 4.12 1hi0P1 TYR 630 HB2 -0.09 -0.06 0.02 -0.04 3.06 2.90 1hi0P1 TYR 630 HB3 -0.05 0.25 -0.06 -0.04 2.98 3.09 1hi0P1 TYR 630 HD2 -0.11 0.05 -0.31 -0.04 7.15 6.74 1hi0P1 TYR 630 HE2 -0.10 -0.04 -0.29 -0.04 6.85 6.38 1hi0P1 LYS 631 H -1.15 0.24 0.21 -0.55 8.42 7.16 1hi0P1 LYS 631 HA -0.61 0.13 0.63 -0.75 4.32 3.72 1hi0P1 LYS 631 HB2 -1.25 -0.08 0.08 -0.04 1.87 0.58 1hi0P1 LYS 631 HB3 -1.43 0.04 0.13 -0.04 1.79 0.48 1hi0P1 LYS 631 HG2 -2.46 0.01 -0.10 -0.04 1.46 -1.13 1hi0P1 LYS 631 HG3 -0.94 0.07 0.06 -0.04 1.46 0.61 1hi0P1 LYS 631 HD2 -0.81 -0.04 -0.03 -0.04 1.69 0.77 1hi0P1 LYS 631 HD3 -2.32 -0.05 -0.05 -0.04 1.68 -0.79 1hi0P1 LYS 631 HE2 -0.36 -0.09 -0.03 -0.04 2.99 2.47 1hi0P1 LYS 631 HE3 -0.64 0.03 -0.01 -0.04 2.99 2.33 1hi0P1 TRP 632 H -0.24 0.36 0.15 -0.55 7.97 7.68 1hi0P1 TRP 632 HA -0.20 0.32 0.97 -0.75 4.62 4.95 1hi0P1 TRP 632 HB2 -0.13 -0.02 -0.13 -0.04 3.23 2.90 1hi0P1 TRP 632 HB3 -0.11 -0.10 0.04 -0.04 3.23 3.02 1hi0P1 TRP 632 HD1 -0.19 0.05 0.15 -0.04 7.22 7.19 1hi0P1 TRP 632 HE1 -0.16 0.19 0.08 -0.04 10.20 10.26 1hi0P1 TRP 632 HE3 -0.15 0.01 -0.25 -0.04 7.59 7.15 1hi0P1 TRP 632 HZ2 -0.15 -0.00 -0.03 -0.04 7.44 7.22 1hi0P1 TRP 632 HZ3 -0.11 -0.01 -0.17 -0.04 7.13 6.80 1hi0P1 TRP 632 HH2 -0.12 -0.03 -0.06 -0.04 7.19 6.93 1hi0P1 THR 633 H 0.15 0.14 0.15 -0.55 8.28 8.17 1hi0P1 THR 633 HA 0.08 0.33 0.91 -0.75 4.39 4.96 1hi0P1 THR 633 HB -0.17 0.13 -0.12 -0.04 4.32 4.12 1hi0P1 THR 633 HG23 0.04 -0.14 -0.13 -0.04 1.22 0.94 1hi0P1 GLU 634 H 0.08 0.26 0.12 -0.55 8.60 8.51 1hi0P1 GLU 634 HA 0.03 0.07 0.29 -0.75 4.29 3.93 1hi0P1 GLU 634 HB2 -0.15 0.06 0.09 -0.04 2.09 2.05 1hi0P1 GLU 634 HB3 -0.07 -0.01 0.10 -0.04 1.99 1.97 1hi0P1 GLU 634 HG2 -0.24 0.02 -0.35 -0.04 2.34 1.72 1hi0P1 GLU 634 HG3 -0.80 -0.01 -0.06 -0.04 2.34 1.43 1hi0P1 ALA 635 H -0.02 0.06 -0.41 -0.55 8.40 7.49 1hi0P1 ALA 635 HA -0.07 0.09 0.39 -0.75 4.34 3.99 1hi0P1 ALA 635 HB3 -0.02 0.02 -0.00 -0.04 1.41 1.36 1hi0P1 ASP 636 H 0.00 0.64 -0.21 -0.55 8.40 8.28 1hi0P1 ASP 636 HA -0.06 0.09 0.54 -0.75 4.63 4.44 1hi0P1 ASP 636 HB2 -0.05 0.01 0.07 -0.04 2.71 2.70 1hi0P1 ASP 636 HB3 -0.20 -0.05 0.14 -0.04 2.70 2.55 1hi0P1 VAL 637 H -0.06 0.47 -0.52 -0.55 8.24 7.58 1hi0P1 VAL 637 HA -0.14 0.04 0.93 -0.75 4.13 4.21 1hi0P1 VAL 637 HB 0.09 0.14 -0.01 -0.04 2.12 2.31 1hi0P1 VAL 637 HG13 0.03 -0.01 -0.26 -0.04 0.97 0.69 1hi0P1 VAL 637 HG23 -0.05 -0.00 -0.33 -0.04 0.95 0.52 1hi0P1 SER 638 H -0.09 0.06 0.10 -0.55 8.46 7.99 1hi0P1 SER 638 HA -0.05 0.09 0.41 -0.75 4.49 4.18 1hi0P1 SER 638 HB2 -0.05 -0.06 0.13 -0.04 3.95 3.93 1hi0P1 SER 638 HB3 -0.04 -0.01 0.05 -0.04 3.93 3.89 1hi0P1 ALA 639 H -0.03 0.18 0.22 -0.55 8.40 8.23 1hi0P1 ALA 639 HA -0.00 0.16 0.40 -0.75 4.34 4.14 1hi0P1 ALA 639 HB3 -0.02 0.02 0.12 -0.04 1.41 1.48 1hi0P1 ASN 640 H -0.01 0.08 -0.17 -0.55 8.53 7.88 1hi0P1 ASN 640 HA 0.00 0.12 0.45 -0.75 4.76 4.58 1hi0P1 ASN 640 HB2 -0.01 -0.01 0.04 -0.04 2.88 2.86 1hi0P1 ASN 640 HB3 -0.01 0.01 0.08 -0.04 2.79 2.82 1hi0P1 ASN 640 HD21 -0.04 0.03 -0.14 -0.04 7.03 6.84 1hi0P1 ASN 640 HD22 -0.03 -0.02 -0.15 -0.04 7.74 7.50 1hi0P1 ILE 641 H 0.00 0.29 -0.38 -0.55 8.25 7.61 1hi0P1 ILE 641 HA -0.01 0.15 0.63 -0.75 4.18 4.20 1hi0P1 ILE 641 HB -0.02 0.07 0.06 -0.04 1.89 1.96 1hi0P1 ILE 641 HG12 -0.04 -0.11 -0.08 -0.04 1.49 1.22 1hi0P1 ILE 641 HG13 -0.06 -0.04 -0.04 -0.04 1.21 1.03 1hi0P1 ILE 641 HG23 -0.03 0.01 -0.14 -0.04 0.93 0.73 1hi0P1 ILE 641 HD13 -0.05 0.04 -0.18 -0.04 0.88 0.64 1hi0P1 HIS 642 H 0.10 0.53 -0.05 -0.55 8.41 8.45 1hi0P1 HIS 642 HA -0.00 0.04 0.36 -0.75 4.63 4.28 1hi0P1 HIS 642 HB2 -0.02 0.10 -0.04 -0.04 3.26 3.25 1hi0P1 HIS 642 HB3 -0.02 0.06 0.05 -0.04 3.20 3.25 1hi0P1 HIS 642 HD2 -0.00 0.01 -0.22 -0.04 6.97 6.71 1hi0P1 HIS 642 HE1 0.03 0.00 -0.03 -0.04 7.75 7.71 1hi0P1 GLU 643 H 0.07 0.35 -0.34 -0.55 8.60 8.14 1hi0P1 GLU 643 HA 0.03 0.08 0.33 -0.75 4.29 3.97 1hi0P1 GLU 643 HB2 0.02 0.11 0.02 -0.04 2.09 2.21 1hi0P1 GLU 643 HB3 0.01 -0.02 0.06 -0.04 1.99 2.00 1hi0P1 GLU 643 HG2 0.01 -0.06 0.03 -0.04 2.34 2.28 1hi0P1 GLU 643 HG3 0.03 0.35 0.11 -0.04 2.34 2.78 1hi0P1 VAL 644 H 0.02 0.29 -0.55 -0.55 8.24 7.45 1hi0P1 VAL 644 HA 0.08 0.04 0.47 -0.75 4.13 3.97 1hi0P1 VAL 644 HB 0.04 0.14 0.10 -0.04 2.12 2.35 1hi0P1 VAL 644 HG13 0.15 -0.02 -0.09 -0.04 0.97 0.97 1hi0P1 VAL 644 HG23 0.06 0.03 0.03 -0.04 0.95 1.02 1hi0P1 LEU 645 H -0.05 0.25 -0.13 -0.55 8.37 7.89 1hi0P1 LEU 645 HA -0.02 0.21 0.80 -0.75 4.35 4.58 1hi0P1 LEU 645 HB2 -0.19 -0.01 0.10 -0.04 1.64 1.50 1hi0P1 LEU 645 HB3 -0.08 -0.03 0.04 -0.04 1.64 1.53 1hi0P1 LEU 645 HG -0.03 0.01 -0.03 -0.04 1.64 1.56 1hi0P1 LEU 645 HD13 -0.03 -0.02 -0.11 -0.04 0.93 0.73 1hi0P1 LEU 645 HD23 -0.00 0.03 -0.11 -0.04 0.89 0.77 1hi0P1 MET 646 H -0.12 0.59 0.14 -0.55 8.47 8.53 1hi0P1 MET 646 HA -0.01 0.34 1.04 -0.75 4.52 5.14 1hi0P1 MET 646 HB2 -0.07 -0.04 -0.10 -0.04 2.15 1.90 1hi0P1 MET 646 HB3 0.04 -0.14 -0.07 -0.04 2.03 1.82 1hi0P1 MET 646 HG2 -0.43 -0.03 -0.21 -0.04 2.63 1.92 1hi0P1 MET 646 HG3 -0.40 -0.06 -0.13 -0.04 2.56 1.93 1hi0P1 MET 646 HE3 0.09 -0.02 -0.27 -0.04 2.10 1.86 1hi0P1 HIS 647 H 0.11 0.43 0.29 -0.55 8.41 8.69 1hi0P1 HIS 647 HA 0.04 0.10 0.71 -0.75 4.63 4.72 1hi0P1 HIS 647 HB2 0.01 0.11 -0.16 -0.04 3.26 3.18 1hi0P1 HIS 647 HB3 0.02 -0.03 0.04 -0.04 3.20 3.19 1hi0P1 HIS 647 HD2 0.02 0.05 0.02 -0.04 6.97 7.01 1hi0P1 HIS 647 HE1 0.02 -0.03 0.01 -0.04 7.75 7.71 1hi0P1 GLY 648 H -0.24 0.10 0.05 -0.55 8.43 7.79 1hi0P1 GLY 648 HA2 0.12 0.39 0.74 -0.51 4.01 4.75 1hi0P1 GLY 648 HA3 0.04 -0.04 0.14 -0.51 4.01 3.64 1hi0P1 VAL 649 H 0.08 0.13 0.09 -0.55 8.24 7.99 1hi0P1 VAL 649 HA 0.10 0.18 0.90 -0.75 4.13 4.56 1hi0P1 VAL 649 HB 0.05 -0.10 0.06 -0.04 2.12 2.09 1hi0P1 VAL 649 HG13 0.04 0.01 0.03 -0.04 0.97 1.00 1hi0P1 VAL 649 HG23 0.09 0.11 -0.07 -0.04 0.95 1.04 1hi0P1 SER 650 H 0.05 0.18 0.13 -0.55 8.46 8.28 1hi0P1 SER 650 HA 0.03 0.05 0.37 -0.75 4.49 4.19 1hi0P1 SER 650 HB2 0.03 -0.09 0.10 -0.04 3.95 3.94 1hi0P1 SER 650 HB3 0.03 0.13 0.16 -0.04 3.93 4.22 1hi0P1 VAL 651 H 0.02 0.19 0.20 -0.55 8.24 8.10 1hi0P1 VAL 651 HA 0.03 0.11 0.26 -0.75 4.13 3.79 1hi0P1 VAL 651 HB 0.02 0.01 -0.03 -0.04 2.12 2.08 1hi0P1 VAL 651 HG13 0.02 0.02 -0.07 -0.04 0.97 0.89 1hi0P1 VAL 651 HG23 0.01 0.01 0.11 -0.04 0.95 1.03 1hi0P1 GLU 652 H 0.03 -0.04 -0.51 -0.55 8.60 7.54 1hi0P1 GLU 652 HA 0.03 0.14 0.42 -0.75 4.29 4.12 1hi0P1 GLU 652 HB2 0.03 -0.07 0.06 -0.04 2.09 2.07 1hi0P1 GLU 652 HB3 0.02 0.08 -0.00 -0.04 1.99 2.05 1hi0P1 GLU 652 HG2 0.02 0.06 0.01 -0.04 2.34 2.38 1hi0P1 GLU 652 HG3 0.02 0.07 -0.01 -0.04 2.34 2.38 1hi0P1 LYS 653 H 0.04 0.02 -0.06 -0.55 8.42 7.87 1hi0P1 LYS 653 HA 0.06 0.07 0.34 -0.75 4.32 4.04 1hi0P1 LYS 653 HB2 0.04 0.02 0.11 -0.04 1.87 1.99 1hi0P1 LYS 653 HB3 0.04 0.07 0.02 -0.04 1.79 1.88 1hi0P1 LYS 653 HG2 0.03 0.05 0.04 -0.04 1.46 1.54 1hi0P1 LYS 653 HG3 0.03 -0.11 0.09 -0.04 1.46 1.43 1hi0P1 LYS 653 HD2 0.03 -0.07 0.06 -0.04 1.69 1.67 1hi0P1 LYS 653 HD3 0.02 0.08 0.04 -0.04 1.68 1.78 1hi0P1 LYS 653 HE2 0.02 0.02 0.01 -0.04 2.99 3.00 1hi0P1 LYS 653 HE3 0.02 -0.04 0.03 -0.04 2.99 2.95 1hi0P1 THR 654 H 0.06 0.38 -0.33 -0.55 8.28 7.84 1hi0P1 THR 654 HA 0.15 0.09 0.52 -0.75 4.39 4.39 1hi0P1 THR 654 HB 0.12 0.06 0.06 -0.04 4.32 4.53 1hi0P1 THR 654 HG23 0.05 -0.01 -0.03 -0.04 1.22 1.19 1hi0P1 GLU 655 H 0.07 0.53 -0.09 -0.55 8.60 8.56 1hi0P1 GLU 655 HA 0.05 -0.00 0.39 -0.75 4.29 3.97 1hi0P1 GLU 655 HB2 0.03 0.05 0.16 -0.04 2.09 2.29 1hi0P1 GLU 655 HB3 0.04 0.01 0.27 -0.04 1.99 2.26 1hi0P1 GLU 655 HG2 0.01 0.01 -0.18 -0.04 2.34 2.14 1hi0P1 GLU 655 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 1hi0P1 ARG 656 H 0.07 0.62 -0.23 -0.55 8.46 8.37 1hi0P1 ARG 656 HA 0.03 0.03 0.47 -0.75 4.34 4.12 1hi0P1 ARG 656 HB2 0.05 -0.03 0.07 -0.04 1.90 1.94 1hi0P1 ARG 656 HB3 0.09 0.08 0.09 -0.04 1.80 2.02 1hi0P1 ARG 656 HG2 0.05 0.03 -0.11 -0.04 1.67 1.60 1hi0P1 ARG 656 HG3 0.03 -0.03 0.03 -0.04 1.67 1.66 1hi0P1 ARG 656 HD2 0.03 -0.06 -0.02 -0.04 3.22 3.13 1hi0P1 ARG 656 HD3 0.05 0.01 -0.02 -0.04 3.22 3.22 1hi0P1 PHE 657 H 0.24 0.35 -0.15 -0.55 8.34 8.22 1hi0P1 PHE 657 HA 0.10 0.02 0.46 -0.75 4.62 4.44 1hi0P1 PHE 657 HB2 0.08 0.03 0.18 -0.04 3.15 3.40 1hi0P1 PHE 657 HB3 0.07 0.05 0.31 -0.04 3.06 3.45 1hi0P1 PHE 657 HD2 0.14 0.15 0.06 -0.04 7.28 7.59 1hi0P1 PHE 657 HE2 0.39 -0.02 -0.03 -0.04 7.38 7.68 1hi0P1 PHE 657 HZ 0.70 0.01 -0.00 -0.04 7.32 7.98 1hi0P1 LEU 658 H 0.17 0.88 0.02 -0.55 8.37 8.90 1hi0P1 LEU 658 HA -0.31 -0.01 0.35 -0.75 4.35 3.63 1hi0P1 LEU 658 HB2 0.10 0.03 0.06 -0.04 1.64 1.79 1hi0P1 LEU 658 HB3 -0.01 0.06 0.04 -0.04 1.64 1.69 1hi0P1 LEU 658 HG -0.15 -0.04 -0.00 -0.04 1.64 1.41 1hi0P1 LEU 658 HD13 -0.03 0.03 -0.02 -0.04 0.93 0.88 1hi0P1 LEU 658 HD23 -0.03 -0.02 -0.14 -0.04 0.89 0.66 1hi0P1 ARG 659 H -0.05 0.37 -0.44 -0.55 8.46 7.79 1hi0P1 ARG 659 HA -0.11 0.04 0.48 -0.75 4.34 4.00 1hi0P1 ARG 659 HB2 -0.03 0.13 0.20 -0.04 1.90 2.16 1hi0P1 ARG 659 HB3 -0.03 0.10 0.18 -0.04 1.80 2.01 1hi0P1 ARG 659 HG2 -0.03 -0.04 -0.04 -0.04 1.67 1.52 1hi0P1 ARG 659 HG3 -0.05 0.03 0.06 -0.04 1.67 1.67 1hi0P1 ARG 659 HD2 -0.02 -0.05 0.01 -0.04 3.22 3.11 1hi0P1 ARG 659 HD3 -0.03 0.00 0.03 -0.04 3.22 3.18 1hi0P1 SER 660 H -0.07 0.39 -0.05 -0.55 8.46 8.18 1hi0P1 SER 660 HA 0.01 0.05 0.42 -0.75 4.49 4.22 1hi0P1 SER 660 HB2 0.14 -0.11 0.18 -0.04 3.95 4.12 1hi0P1 SER 660 HB3 0.04 -0.00 0.17 -0.04 3.93 4.10 1hi0P1 VAL 661 H -0.28 0.18 -0.86 -0.55 8.24 6.72 1hi0P1 VAL 661 HA -0.49 -0.01 0.88 -0.75 4.13 3.77 1hi0P1 VAL 661 HB -0.61 0.12 0.17 -0.04 2.12 1.77 1hi0P1 VAL 661 HG13 -1.08 -0.03 -0.17 -0.04 0.97 -0.36 1hi0P1 VAL 661 HG23 -0.82 0.00 -0.08 -0.04 0.95 0.02 1hi0P1 MET 662 H -0.41 0.51 0.19 -0.55 8.47 8.21 1hi0P1 MET 662 HA -1.09 0.03 0.45 -0.75 4.52 3.15 1hi0P1 MET 662 HB2 -0.29 0.08 0.15 -0.04 2.15 2.05 1hi0P1 MET 662 HB3 -0.35 -0.14 0.12 -0.04 2.03 1.62 1hi0P1 MET 662 HG2 -0.61 0.02 0.08 -0.04 2.63 2.08 1hi0P1 MET 662 HG3 -0.39 -0.02 0.10 -0.04 2.56 2.21 1hi0P1 MET 662 HE3 -0.13 0.03 -0.04 -0.04 2.10 1.91 1hi0P1 PRO 663 HA -0.17 0.20 0.66 -0.51 4.44 4.63 1hi0P1 PRO 663 HB2 -0.08 -0.04 0.13 -0.04 2.28 2.25 1hi0P1 PRO 663 HB3 -0.12 0.07 -0.03 -0.04 2.02 1.89 1hi0P1 PRO 663 HG2 -0.13 -0.34 0.20 -0.04 2.03 1.72 1hi0P1 PRO 663 HG3 -0.06 0.12 0.03 -0.04 2.03 2.09 1hi0P1 PRO 663 HD2 -0.54 0.07 0.25 -0.04 3.68 3.42 1hi0P1 PRO 663 HD3 -1.15 0.11 0.06 -0.04 3.65 2.63 1hi0P1 ARG 664 H -0.15 0.12 0.02 -0.55 8.46 7.90 1hi0P1 ARG 664 HA -0.07 0.18 0.50 -0.75 4.34 4.19 1hi0P1 ARG 664 HB2 -0.04 0.03 0.02 -0.04 1.90 1.86 1hi0P1 ARG 664 HB3 -0.04 -0.05 0.06 -0.04 1.80 1.73 1hi0P1 ARG 664 HG2 -0.04 0.11 -0.23 -0.04 1.67 1.48 1hi0P1 ARG 664 HG3 -0.02 -0.06 -0.03 -0.04 1.67 1.51 1hi0P1 ARG 664 HD2 -0.02 -0.07 0.02 -0.04 3.22 3.11 1hi0P1 ARG 664 HD3 -0.03 -0.07 0.04 -0.04 3.22 3.12