============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 94 rings ring int. center anis. iso. HIS 1 0.900 14.440 4.473 63.373 -99.200 -91.000 HIS 2 0.900 17.957 7.237 56.826 -99.200 -91.000 PHE 20 1.000 9.344 1.836 53.195 -99.200 -91.000 TYR 23 0.840 23.029 -0.908 58.731 -99.200 -91.000 PHE 32 1.000 39.291 -0.154 59.718 -99.200 -91.000 TYR 33 0.840 37.410 -7.615 55.399 -99.200 -91.000 PHE 42 1.000 49.426 -8.509 56.754 -99.200 -91.000 HIS 58 0.900 50.261 18.916 72.933 -99.200 -91.000 TYR 59 0.840 56.021 14.021 76.723 -99.200 -91.000 HIS 63 0.900 56.801 17.617 77.211 -99.200 -91.000 PHE 64 1.000 61.640 14.518 73.991 -99.200 -91.000 TRP 68 1.040 60.852 19.588 68.966 -99.200 -91.000 TRP6 68 1.020 60.350 18.642 66.860 -99.200 -91.000 PHE 76 1.000 66.499 16.740 53.845 -99.200 -91.000 TYR 84 0.840 53.412 12.592 59.308 -99.200 -91.000 TYR 91 0.840 44.129 10.835 56.770 -99.200 -91.000 TYR 99 0.840 27.981 13.395 53.559 -99.200 -91.000 HIS 102 0.900 18.254 22.891 53.870 -99.200 -91.000 TYR 103 0.840 20.380 18.551 49.319 -99.200 -91.000 TYR 105 0.840 20.376 13.003 49.491 -99.200 -91.000 TRP 108 1.040 25.736 19.886 40.372 -99.200 -91.000 TRP6 108 1.020 27.833 18.936 39.845 -99.200 -91.000 PHE 111 1.000 30.894 20.592 43.094 -99.200 -91.000 TYR 116 0.840 22.676 24.474 51.336 -99.200 -91.000 TYR 117 0.840 28.891 28.588 57.491 -99.200 -91.000 PHE 156 1.000 40.425 36.139 82.848 -99.200 -91.000 PHE 167 1.000 45.214 33.499 69.858 -99.200 -91.000 PHE 169 1.000 39.521 42.646 70.712 -99.200 -91.000 PHE 170 1.000 45.780 37.698 62.958 -99.200 -91.000 HIS 173 0.900 40.232 42.169 60.873 -99.200 -91.000 PHE 174 1.000 42.582 33.884 59.378 -99.200 -91.000 HIS 176 0.900 33.517 37.206 63.243 -99.200 -91.000 PHE 178 1.000 38.181 31.748 57.862 -99.200 -91.000 PHE 179 1.000 34.633 30.177 60.858 -99.200 -91.000 HIS 183 0.900 23.086 35.026 62.012 -99.200 -91.000 PHE 189 1.000 20.985 27.882 53.828 -99.200 -91.000 HIS 195 0.900 32.057 28.314 51.070 -99.200 -91.000 HIS 201 0.900 39.268 40.113 56.655 -99.200 -91.000 TYR 203 0.840 41.599 44.082 49.719 -99.200 -91.000 HIS 211 0.900 34.450 48.478 41.088 -99.200 -91.000 PHE 216 1.000 37.535 52.569 41.477 -99.200 -91.000 TYR 223 0.840 43.891 58.007 52.898 -99.200 -91.000 TYR 231 0.840 41.991 56.422 63.259 -99.200 -91.000 TYR 244 0.840 28.975 51.634 62.527 -99.200 -91.000 HIS 247 0.900 24.240 54.124 70.718 -99.200 -91.000 PHE 254 1.000 36.215 55.279 62.143 -99.200 -91.000 PHE 261 1.000 35.599 42.591 60.609 -99.200 -91.000 TYR 270 0.840 44.422 42.615 64.855 -99.200 -91.000 TRP 274 1.040 44.892 42.970 58.516 -99.200 -91.000 TRP6 274 1.020 46.675 41.918 57.374 -99.200 -91.000 HIS 278 0.900 45.067 47.775 49.120 -99.200 -91.000 HIS 289 0.900 56.063 46.440 38.750 -99.200 -91.000 TRP 292 1.040 52.426 47.206 36.911 -99.200 -91.000 TRP6 292 1.020 52.454 45.750 38.767 -99.200 -91.000 PHE 298 1.000 41.601 46.448 45.046 -99.200 -91.000 TYR 317 0.840 45.149 32.608 65.008 -99.200 -91.000 HIS 320 0.900 50.093 32.244 71.593 -99.200 -91.000 TYR 324 0.840 52.682 21.665 67.536 -99.200 -91.000 HIS 325 0.900 59.347 23.408 73.250 -99.200 -91.000 PHE 326 1.000 58.540 21.851 62.816 -99.200 -91.000 PHE 330 1.000 52.319 30.706 52.989 -99.200 -91.000 PHE 336 1.000 54.445 24.393 44.556 -99.200 -91.000 PHE 340 1.000 46.445 21.098 49.890 -99.200 -91.000 TYR 342 0.840 47.489 23.695 45.426 -99.200 -91.000 PHE 350 1.000 37.927 26.104 60.602 -99.200 -91.000 TYR 354 0.840 38.747 29.671 64.783 -99.200 -91.000 HIS 355 0.900 30.155 30.037 67.208 -99.200 -91.000 TRP 356 1.040 38.227 28.969 69.651 -99.200 -91.000 TRP6 356 1.020 40.284 29.469 68.608 -99.200 -91.000 HIS 357 0.900 31.429 33.816 71.568 -99.200 -91.000 PHE 364 1.000 36.538 43.846 75.872 -99.200 -91.000 TYR 371 0.840 37.369 52.096 77.832 -99.200 -91.000 PHE 373 1.000 32.250 41.460 77.209 -99.200 -91.000 PHE 376 1.000 36.529 47.273 73.608 -99.200 -91.000 TYR 378 0.840 27.479 47.817 67.207 -99.200 -91.000 HIS 386 0.900 42.209 54.991 75.670 -99.200 -91.000 PHE 391 1.000 41.929 50.486 71.048 -99.200 -91.000 PHE 395 1.000 42.663 45.753 73.134 -99.200 -91.000 TYR 429 0.840 26.907 21.130 64.116 -99.200 -91.000 TYR 435 0.840 30.675 16.310 64.186 -99.200 -91.000 PHE 439 1.000 37.496 15.889 61.944 -99.200 -91.000 TYR 444 0.840 37.081 12.418 75.523 -99.200 -91.000 PHE 447 1.000 28.559 12.433 80.260 -99.200 -91.000 TYR 464 0.840 24.554 16.712 77.245 -99.200 -91.000 TYR 473 0.840 29.932 26.176 71.772 -99.200 -91.000 PHE 487 1.000 42.284 26.344 71.444 -99.200 -91.000 PHE 498 1.000 36.791 21.050 59.792 -99.200 -91.000 TYR 513 0.840 46.739 32.206 40.938 -99.200 -91.000 TRP 514 1.040 55.132 30.031 46.577 -99.200 -91.000 TRP6 514 1.020 54.243 31.652 48.050 -99.200 -91.000 PHE 519 1.000 52.369 36.538 45.188 -99.200 -91.000 PHE 525 1.000 57.457 34.557 46.132 -99.200 -91.000 PHE 546 1.000 60.009 46.524 70.838 -99.200 -91.000 PHE 549 1.000 49.060 36.798 66.936 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hs7B1 HIS 33 HA 0.08 -0.09 0.12 -0.75 4.63 3.98 3hs7B1 HIS 33 HB2 0.08 -0.10 -0.13 -0.04 3.26 3.06 3hs7B1 HIS 33 HB3 0.05 0.08 0.05 -0.04 3.20 3.34 3hs7B1 HIS 33 HD2 0.04 -0.03 0.00 -0.04 6.97 6.94 3hs7B1 HIS 33 HE1 0.06 -0.10 -0.08 -0.04 7.75 7.58 3hs7B1 HIS 34 H 0.32 0.01 -0.04 -0.55 8.41 8.16 3hs7B1 HIS 34 HA 0.05 0.15 0.46 -0.75 4.63 4.53 3hs7B1 HIS 34 HB2 0.09 -0.03 0.10 -0.04 3.26 3.38 3hs7B1 HIS 34 HB3 0.11 -0.06 0.05 -0.04 3.20 3.25 3hs7B1 HIS 34 HD2 0.04 -0.00 0.03 -0.04 6.97 7.00 3hs7B1 HIS 34 HE1 0.02 0.00 -0.07 -0.04 7.75 7.66 3hs7B1 PRO 35 HA 0.06 0.18 0.34 -0.51 4.44 4.51 3hs7B1 PRO 35 HB2 0.12 -0.06 -0.28 -0.04 2.28 2.02 3hs7B1 PRO 35 HB3 0.10 0.00 -0.36 -0.04 2.02 1.72 3hs7B1 PRO 35 HG2 -0.11 0.10 0.02 -0.04 2.03 2.00 3hs7B1 PRO 35 HG3 -0.07 0.27 -0.18 -0.04 2.03 2.01 3hs7B1 PRO 35 HD2 -0.62 -0.03 0.17 -0.04 3.68 3.16 3hs7B1 PRO 35 HD3 -0.29 0.21 0.27 -0.04 3.65 3.80 3hs7B1 CYS 36 H 0.63 0.08 -0.47 -0.55 8.50 8.20 3hs7B1 CYS 36 HA -0.09 0.20 0.78 -0.75 4.58 4.71 3hs7B1 CYS 36 HB2 0.08 0.03 -0.05 -0.04 2.97 2.99 3hs7B1 CYS 36 HB3 -0.05 0.05 0.10 -0.04 2.97 3.03 3hs7B1 CYS 37 H 0.18 0.36 -0.30 -0.55 8.50 8.19 3hs7B1 CYS 37 HA -0.01 0.08 0.34 -0.75 4.58 4.23 3hs7B1 CYS 37 HB2 0.15 0.08 -0.01 -0.04 2.97 3.16 3hs7B1 CYS 37 HB3 -0.02 0.02 -0.12 -0.04 2.97 2.82 3hs7B1 SER 38 H 0.01 0.12 -0.39 -0.55 8.46 7.66 3hs7B1 SER 38 HA -0.02 0.01 0.46 -0.75 4.49 4.19 3hs7B1 SER 38 HB2 -0.01 -0.00 0.03 -0.04 3.95 3.93 3hs7B1 SER 38 HB3 0.03 -0.01 -0.02 -0.04 3.93 3.88 3hs7B1 ASN 39 H -0.08 0.37 -0.58 -0.55 8.53 7.70 3hs7B1 ASN 39 HA -0.12 0.04 0.30 -0.75 4.76 4.22 3hs7B1 ASN 39 HB2 -0.08 0.07 0.14 -0.04 2.88 2.97 3hs7B1 ASN 39 HB3 -0.10 0.01 0.15 -0.04 2.79 2.80 3hs7B1 ASN 39 HD21 -0.06 0.08 0.06 -0.04 7.03 7.07 3hs7B1 ASN 39 HD22 -0.05 -0.05 -0.07 -0.04 7.74 7.52 3hs7B1 PRO 40 HA -0.10 0.12 0.14 -0.51 4.44 4.09 3hs7B1 PRO 40 HB2 -0.46 -0.00 -0.14 -0.04 2.28 1.63 3hs7B1 PRO 40 HB3 -0.23 -0.00 -0.04 -0.04 2.02 1.71 3hs7B1 PRO 40 HG2 -1.27 0.02 -0.02 -0.04 2.03 0.72 3hs7B1 PRO 40 HG3 -0.42 0.01 -0.06 -0.04 2.03 1.53 3hs7B1 PRO 40 HD2 -0.29 0.03 0.08 -0.04 3.68 3.45 3hs7B1 PRO 40 HD3 -0.21 0.09 0.07 -0.04 3.65 3.56 3hs7B1 CYS 41 H -0.16 0.04 -0.22 -0.55 8.50 7.62 3hs7B1 CYS 41 HA -0.04 -0.01 0.30 -0.75 4.58 4.09 3hs7B1 CYS 41 HB2 -0.07 0.10 -0.16 -0.04 2.97 2.80 3hs7B1 CYS 41 HB3 -0.02 0.01 -0.36 -0.04 2.97 2.56 3hs7B1 GLN 42 H -0.07 0.49 0.15 -0.55 8.47 8.48 3hs7B1 GLN 42 HA -0.12 0.16 0.78 -0.75 4.36 4.43 3hs7B1 GLN 42 HB2 -0.18 0.16 -0.01 -0.04 2.15 2.08 3hs7B1 GLN 42 HB3 -0.19 -0.11 0.13 -0.04 2.02 1.81 3hs7B1 GLN 42 HG2 -0.08 0.14 0.01 -0.04 2.40 2.43 3hs7B1 GLN 42 HG3 -0.09 -0.11 -0.02 -0.04 2.39 2.12 3hs7B1 GLN 42 HE21 -0.08 0.09 -0.12 -0.04 6.97 6.82 3hs7B1 GLN 42 HE22 -0.07 0.31 -0.34 -0.04 7.69 7.55 3hs7B1 ASN 43 H -0.20 0.14 0.14 -0.55 8.53 8.07 3hs7B1 ASN 43 HA -0.19 0.08 0.34 -0.75 4.76 4.23 3hs7B1 ASN 43 HB2 -0.55 0.13 -0.17 -0.04 2.88 2.24 3hs7B1 ASN 43 HB3 -0.46 0.05 0.15 -0.04 2.79 2.48 3hs7B1 ASN 43 HD21 -0.82 -0.08 0.03 -0.04 7.03 6.12 3hs7B1 ASN 43 HD22 -1.07 0.52 0.05 -0.04 7.74 7.20 3hs7B1 ARG 44 H -0.10 0.06 -0.36 -0.55 8.46 7.50 3hs7B1 ARG 44 HA -0.06 0.02 0.23 -0.75 4.34 3.78 3hs7B1 ARG 44 HB2 0.00 0.24 0.19 -0.04 1.90 2.29 3hs7B1 ARG 44 HB3 -0.02 -0.03 0.17 -0.04 1.80 1.88 3hs7B1 ARG 44 HG2 -0.10 -0.04 -0.04 -0.04 1.67 1.45 3hs7B1 ARG 44 HG3 -0.04 -0.02 -0.29 -0.04 1.67 1.28 3hs7B1 ARG 44 HD2 -0.15 0.15 0.05 -0.04 3.22 3.23 3hs7B1 ARG 44 HD3 -0.03 -0.01 -0.00 -0.04 3.22 3.14 3hs7B1 GLY 45 H -0.04 0.44 -0.37 -0.55 8.43 7.91 3hs7B1 GLY 45 HA2 0.03 0.18 0.59 -0.51 4.01 4.29 3hs7B1 GLY 45 HA3 0.01 -0.10 0.11 -0.51 4.01 3.51 3hs7B1 GLU 46 H 0.04 0.35 0.28 -0.55 8.60 8.72 3hs7B1 GLU 46 HA 0.02 0.23 0.94 -0.75 4.29 4.72 3hs7B1 GLU 46 HB2 0.06 -0.08 0.19 -0.04 2.09 2.22 3hs7B1 GLU 46 HB3 0.09 0.03 0.01 -0.04 1.99 2.08 3hs7B1 GLU 46 HG2 0.15 0.02 -0.00 -0.04 2.34 2.47 3hs7B1 GLU 46 HG3 0.06 0.17 -0.22 -0.04 2.34 2.32 3hs7B1 CYS 47 H -0.01 0.22 0.19 -0.55 8.50 8.35 3hs7B1 CYS 47 HA 0.05 0.16 0.70 -0.75 4.58 4.73 3hs7B1 CYS 47 HB2 -0.08 0.01 0.08 -0.04 2.97 2.94 3hs7B1 CYS 47 HB3 -0.03 0.04 0.07 -0.04 2.97 3.01 3hs7B1 MET 48 H 0.12 0.33 0.27 -0.55 8.47 8.64 3hs7B1 MET 48 HA 0.10 0.08 0.74 -0.75 4.52 4.69 3hs7B1 MET 48 HB2 0.07 0.06 -0.12 -0.04 2.15 2.12 3hs7B1 MET 48 HB3 0.06 0.04 0.07 -0.04 2.03 2.16 3hs7B1 MET 48 HG2 0.02 0.21 -0.24 -0.04 2.63 2.57 3hs7B1 MET 48 HG3 0.03 -0.04 0.06 -0.04 2.56 2.57 3hs7B1 MET 48 HE3 0.02 -0.02 -0.10 -0.04 2.10 1.96 3hs7B1 SER 49 H 0.04 0.13 0.15 -0.55 8.46 8.23 3hs7B1 SER 49 HA 0.02 0.14 0.77 -0.75 4.49 4.66 3hs7B1 SER 49 HB2 -0.19 0.19 0.15 -0.04 3.95 4.05 3hs7B1 SER 49 HB3 -0.32 -0.04 0.16 -0.04 3.93 3.68 3hs7B1 THR 50 H -0.03 0.60 0.11 -0.55 8.28 8.43 3hs7B1 THR 50 HA -0.06 0.15 0.75 -0.75 4.39 4.48 3hs7B1 THR 50 HB -0.04 -0.04 0.11 -0.04 4.32 4.31 3hs7B1 THR 50 HG23 -0.00 0.02 -0.24 -0.04 1.22 0.96 3hs7B1 GLY 51 H -0.15 0.20 -0.10 -0.55 8.43 7.84 3hs7B1 GLY 51 HA2 -0.18 0.04 0.35 -0.51 4.01 3.72 3hs7B1 GLY 51 HA3 -0.06 0.14 0.75 -0.51 4.01 4.33 3hs7B1 PHE 52 H 0.08 0.14 0.16 -0.55 8.34 8.18 3hs7B1 PHE 52 HA -0.07 0.13 0.49 -0.75 4.62 4.41 3hs7B1 PHE 52 HB2 -0.04 -0.05 0.13 -0.04 3.15 3.15 3hs7B1 PHE 52 HB3 -0.05 0.12 0.06 -0.04 3.06 3.15 3hs7B1 PHE 52 HD2 -0.03 0.03 0.06 -0.04 7.28 7.30 3hs7B1 PHE 52 HE2 -0.02 0.00 0.01 -0.04 7.38 7.33 3hs7B1 PHE 52 HZ -0.01 -0.00 0.00 -0.04 7.32 7.26 3hs7B1 ASP 53 H 0.05 -0.07 -0.17 -0.55 8.40 7.68 3hs7B1 ASP 53 HA -0.01 0.34 0.84 -0.75 4.63 5.04 3hs7B1 ASP 53 HB2 0.02 -0.06 -0.00 -0.04 2.71 2.63 3hs7B1 ASP 53 HB3 0.01 0.03 0.10 -0.04 2.70 2.79 3hs7B1 GLN 54 H -0.01 0.08 -0.22 -0.55 8.47 7.77 3hs7B1 GLN 54 HA -0.03 0.23 0.93 -0.75 4.36 4.74 3hs7B1 GLN 54 HB2 -0.04 -0.10 -0.13 -0.04 2.15 1.85 3hs7B1 GLN 54 HB3 -0.05 0.09 -0.10 -0.04 2.02 1.92 3hs7B1 TYR 55 H -0.31 0.21 0.19 -0.55 8.29 7.83 3hs7B1 TYR 55 HA -0.02 0.12 0.93 -0.75 4.56 4.84 3hs7B1 TYR 55 HB2 0.02 -0.02 -0.02 -0.04 3.06 3.00 3hs7B1 TYR 55 HB3 0.02 0.02 -0.27 -0.04 2.98 2.71 3hs7B1 TYR 55 HD2 0.02 0.02 -0.25 -0.04 7.15 6.90 3hs7B1 TYR 55 HE2 0.01 0.05 -0.09 -0.04 6.85 6.78 3hs7B1 LYS 56 H 0.21 0.64 0.31 -0.55 8.42 9.01 3hs7B1 LYS 56 HA 0.06 0.08 0.65 -0.75 4.32 4.35 3hs7B1 LYS 56 HB2 0.02 -0.03 -0.13 -0.04 1.87 1.69 3hs7B1 LYS 56 HB3 0.06 0.00 -0.02 -0.04 1.79 1.79 3hs7B1 LYS 56 HG2 0.04 0.11 0.03 -0.04 1.46 1.59 3hs7B1 LYS 56 HG3 -0.01 0.00 0.13 -0.04 1.46 1.54 3hs7B1 LYS 56 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.60 3hs7B1 LYS 56 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.62 3hs7B1 LYS 56 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 3hs7B1 LYS 56 HE3 -0.00 -0.03 -0.00 -0.04 2.99 2.91 3hs7B1 CYS 57 H 0.16 0.19 0.14 -0.55 8.50 8.44 3hs7B1 CYS 57 HA 0.10 0.29 0.80 -0.75 4.58 5.02 3hs7B1 CYS 57 HB2 0.11 0.09 0.05 -0.04 2.97 3.18 3hs7B1 CYS 57 HB3 0.07 -0.01 -0.23 -0.04 2.97 2.76 3hs7B1 ASP 58 H 0.06 0.69 0.27 -0.55 8.40 8.87 3hs7B1 ASP 58 HA 0.05 0.07 0.88 -0.75 4.63 4.88 3hs7B1 ASP 58 HB2 0.05 0.07 0.08 -0.04 2.71 2.86 3hs7B1 ASP 58 HB3 0.05 0.02 0.28 -0.04 2.70 3.01 3hs7B1 CYS 59 H 0.06 0.17 0.05 -0.55 8.50 8.24 3hs7B1 CYS 59 HA 0.07 0.25 0.57 -0.75 4.58 4.71 3hs7B1 CYS 59 HB2 0.11 -0.06 0.07 -0.04 2.97 3.05 3hs7B1 CYS 59 HB3 0.14 0.19 0.10 -0.04 2.97 3.36 3hs7B1 THR 60 H 0.05 0.02 -0.29 -0.55 8.28 7.51 3hs7B1 THR 60 HA 0.04 -0.07 0.39 -0.75 4.39 4.00 3hs7B1 THR 60 HB 0.03 0.10 0.05 -0.04 4.32 4.46 3hs7B1 THR 60 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 3hs7B1 ARG 61 H 0.04 0.04 0.23 -0.55 8.46 8.21 3hs7B1 ARG 61 HA 0.03 -0.08 0.36 -0.75 4.34 3.90 3hs7B1 ARG 61 HB2 0.02 0.13 -0.31 -0.04 1.90 1.71 3hs7B1 ARG 61 HB3 0.02 0.08 0.18 -0.04 1.80 2.04 3hs7B1 ARG 61 HG2 0.01 -0.02 0.06 -0.04 1.67 1.68 3hs7B1 ARG 61 HG3 0.01 -0.11 -0.02 -0.04 1.67 1.52 3hs7B1 ARG 61 HD2 0.01 0.07 0.00 -0.04 3.22 3.25 3hs7B1 ARG 61 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.13 3hs7B1 THR 62 H 0.09 0.38 -0.37 -0.55 8.28 7.83 3hs7B1 THR 62 HA 0.10 0.24 0.63 -0.75 4.39 4.61 3hs7B1 THR 62 HB 0.17 0.24 0.08 -0.04 4.32 4.76 3hs7B1 THR 62 HG23 0.06 0.02 -0.28 -0.04 1.22 0.97 3hs7B1 GLY 63 H 0.09 0.02 -0.08 -0.55 8.43 7.91 3hs7B1 GLY 63 HA2 -0.02 -0.10 0.27 -0.51 4.01 3.66 3hs7B1 GLY 63 HA3 -0.05 0.20 0.65 -0.51 4.01 4.31 3hs7B1 PHE 64 H 0.27 0.16 -0.15 -0.55 8.34 8.07 3hs7B1 PHE 64 HA 0.08 0.12 0.77 -0.75 4.62 4.83 3hs7B1 PHE 64 HB2 0.02 0.06 -0.21 -0.04 3.15 2.98 3hs7B1 PHE 64 HB3 -0.02 -0.10 -0.55 -0.04 3.06 2.35 3hs7B1 PHE 64 HD2 -0.02 0.05 -0.59 -0.04 7.28 6.69 3hs7B1 PHE 64 HE2 -0.01 0.04 -0.05 -0.04 7.38 7.32 3hs7B1 PHE 64 HZ -0.01 -0.01 -0.04 -0.04 7.32 7.22 3hs7B1 TYR 65 H 0.01 0.77 0.16 -0.55 8.29 8.68 3hs7B1 TYR 65 HA 0.09 0.16 0.53 -0.75 4.56 4.58 3hs7B1 TYR 65 HB2 0.04 -0.13 0.18 -0.04 3.06 3.11 3hs7B1 TYR 65 HB3 0.05 0.08 -0.10 -0.04 2.98 2.97 3hs7B1 TYR 65 HD2 0.03 -0.06 -0.17 -0.04 7.15 6.90 3hs7B1 TYR 65 HE2 0.02 0.01 -0.17 -0.04 6.85 6.67 3hs7B1 GLY 66 H 0.26 0.17 0.14 -0.55 8.43 8.44 3hs7B1 GLY 66 HA2 0.10 0.09 0.37 -0.51 4.01 4.06 3hs7B1 GLY 66 HA3 -0.02 0.09 0.80 -0.51 4.01 4.37 3hs7B1 GLU 67 H 0.03 0.16 0.16 -0.55 8.60 8.41 3hs7B1 GLU 67 HA 0.05 0.09 0.36 -0.75 4.29 4.03 3hs7B1 GLU 67 HB2 0.02 -0.01 0.16 -0.04 2.09 2.22 3hs7B1 GLU 67 HB3 0.04 0.00 0.10 -0.04 1.99 2.09 3hs7B1 GLU 67 HG2 0.07 0.05 -0.14 -0.04 2.34 2.28 3hs7B1 GLU 67 HG3 -0.04 0.01 0.08 -0.04 2.34 2.35 3hs7B1 ASN 68 H 0.04 -0.01 -0.24 -0.55 8.53 7.77 3hs7B1 ASN 68 HA 0.08 0.22 0.74 -0.75 4.76 5.06 3hs7B1 ASN 68 HB2 0.01 -0.07 -0.01 -0.04 2.88 2.77 3hs7B1 ASN 68 HB3 0.00 0.35 0.14 -0.04 2.79 3.24 3hs7B1 ASN 68 HD21 0.09 -0.01 -0.07 -0.04 7.03 7.00 3hs7B1 ASN 68 HD22 0.04 -0.00 -0.04 -0.04 7.74 7.69 3hs7B1 CYS 69 H 0.05 0.34 -0.57 -0.55 8.50 7.77 3hs7B1 CYS 69 HA 0.08 -0.03 -0.12 -0.75 4.58 3.76 3hs7B1 CYS 69 HB2 -0.04 0.27 0.03 -0.04 2.97 3.20 3hs7B1 CYS 69 HB3 0.07 0.02 -0.08 -0.04 2.97 2.94 3hs7B1 THR 70 H -0.01 -0.07 -0.13 -0.55 8.28 7.52 3hs7B1 THR 70 HA -0.12 0.29 0.79 -0.75 4.39 4.59 3hs7B1 THR 70 HB -0.03 0.02 -0.04 -0.04 4.32 4.23 3hs7B1 THR 70 HG23 -0.06 0.05 -0.20 -0.04 1.22 0.96 3hs7B1 THR 71 H -0.10 0.17 0.18 -0.55 8.28 7.99 3hs7B1 THR 71 HA -0.08 0.15 0.56 -0.75 4.39 4.26 3hs7B1 THR 71 HB -1.10 -0.12 -0.00 -0.04 4.32 3.05 3hs7B1 THR 71 HG23 -0.32 0.04 -0.08 -0.04 1.22 0.82 3hs7B1 PRO 72 HA -0.52 0.13 0.51 -0.51 4.44 4.05 3hs7B1 PRO 72 HB2 -0.15 -0.00 -0.07 -0.04 2.28 2.03 3hs7B1 PRO 72 HB3 -0.42 0.08 0.01 -0.04 2.02 1.65 3hs7B1 PRO 72 HG2 0.02 -0.01 0.07 -0.04 2.03 2.06 3hs7B1 PRO 72 HG3 0.21 0.16 0.09 -0.04 2.03 2.45 3hs7B1 PRO 72 HD2 -0.02 0.00 0.20 -0.04 3.68 3.82 3hs7B1 PRO 72 HD3 0.04 0.21 0.39 -0.04 3.65 4.25 3hs7B1 GLU 73 H -0.23 0.56 0.30 -0.55 8.60 8.69 3hs7B1 GLU 73 HA 0.19 0.12 0.66 -0.75 4.29 4.50 3hs7B1 GLU 73 HB2 -0.05 0.16 0.14 -0.04 2.09 2.30 3hs7B1 GLU 73 HB3 0.04 -0.17 0.11 -0.04 1.99 1.93 3hs7B1 GLU 73 HG2 0.07 -0.02 -0.01 -0.04 2.34 2.34 3hs7B1 GLU 73 HG3 0.21 0.07 -0.19 -0.04 2.34 2.39 3hs7B1 PHE 74 H 0.19 0.15 0.15 -0.55 8.34 8.29 3hs7B1 PHE 74 HA -0.02 0.14 0.35 -0.75 4.62 4.34 3hs7B1 PHE 74 HB2 -0.00 0.05 0.14 -0.04 3.15 3.29 3hs7B1 PHE 74 HB3 -0.02 -0.04 0.15 -0.04 3.06 3.11 3hs7B1 PHE 74 HD2 -0.01 -0.00 -0.04 -0.04 7.28 7.19 3hs7B1 PHE 74 HE2 -0.01 0.02 -0.03 -0.04 7.38 7.32 3hs7B1 PHE 74 HZ -0.01 0.02 -0.02 -0.04 7.32 7.27 3hs7B1 LEU 75 H 0.08 0.10 -0.03 -0.55 8.37 7.97 3hs7B1 LEU 75 HA -0.17 0.09 0.46 -0.75 4.35 3.97 3hs7B1 LEU 75 HB2 0.04 -0.02 0.11 -0.04 1.64 1.73 3hs7B1 LEU 75 HB3 -0.03 0.02 0.04 -0.04 1.64 1.63 3hs7B1 THR 76 H -0.12 0.04 -0.41 -0.55 8.28 7.24 3hs7B1 THR 76 HA -0.14 0.09 0.46 -0.75 4.39 4.04 3hs7B1 THR 76 HB -0.37 0.06 0.12 -0.04 4.32 4.10 3hs7B1 THR 76 HG23 -0.55 0.03 -0.01 -0.04 1.22 0.65 3hs7B1 ARG 77 H -0.18 0.47 -0.14 -0.55 8.46 8.06 3hs7B1 ARG 77 HA -0.10 0.07 0.49 -0.75 4.34 4.04 3hs7B1 ARG 77 HB2 -0.23 0.14 0.16 -0.04 1.90 1.92 3hs7B1 ARG 77 HB3 -0.13 -0.04 -0.02 -0.04 1.80 1.57 3hs7B1 ARG 77 HG2 -0.05 -0.01 0.00 -0.04 1.67 1.58 3hs7B1 ARG 77 HG3 -0.07 0.13 -0.14 -0.04 1.67 1.55 3hs7B1 ARG 77 HD2 0.04 -0.06 -0.04 -0.04 3.22 3.12 3hs7B1 ARG 77 HD3 0.00 -0.02 -0.02 -0.04 3.22 3.14 3hs7B1 ILE 78 H -0.29 0.33 -0.23 -0.55 8.25 7.52 3hs7B1 ILE 78 HA -0.16 0.05 0.48 -0.75 4.18 3.79 3hs7B1 ILE 78 HB -0.22 0.13 0.16 -0.04 1.89 1.92 3hs7B1 ILE 78 HG12 -0.71 0.19 0.08 -0.04 1.49 1.01 3hs7B1 ILE 78 HG13 -0.43 -0.06 0.01 -0.04 1.21 0.69 3hs7B1 ILE 78 HG23 -0.11 -0.01 -0.05 -0.04 0.93 0.72 3hs7B1 ILE 78 HD13 -0.28 -0.01 -0.04 -0.04 0.88 0.52 3hs7B1 LYS 79 H -0.12 0.40 -0.08 -0.55 8.42 8.06 3hs7B1 LYS 79 HA -0.05 0.03 0.49 -0.75 4.32 4.03 3hs7B1 LYS 79 HB2 -0.07 0.04 0.19 -0.04 1.87 1.99 3hs7B1 LYS 79 HB3 -0.04 0.03 0.03 -0.04 1.79 1.78 3hs7B1 LEU 80 H -0.06 0.53 -0.15 -0.55 8.37 8.14 3hs7B1 LEU 80 HA 0.01 0.11 0.56 -0.75 4.35 4.27 3hs7B1 LEU 80 HB2 -0.02 0.06 0.13 -0.04 1.64 1.76 3hs7B1 LEU 80 HB3 0.02 -0.04 0.09 -0.04 1.64 1.67 3hs7B1 LEU 80 HG 0.03 0.02 0.05 -0.04 1.64 1.69 3hs7B1 LEU 80 HD13 0.18 -0.02 -0.03 -0.04 0.93 1.01 3hs7B1 LEU 80 HD23 0.10 0.00 0.02 -0.04 0.89 0.97 3hs7B1 LEU 81 H -0.05 0.18 -0.56 -0.55 8.37 7.39 3hs7B1 LEU 81 HA -0.02 0.08 0.67 -0.75 4.35 4.32 3hs7B1 LEU 81 HB2 -0.06 0.17 0.14 -0.04 1.64 1.85 3hs7B1 LEU 81 HB3 -0.06 0.08 0.10 -0.04 1.64 1.72 3hs7B1 LEU 82 H -0.03 0.22 -0.14 -0.55 8.37 7.87 3hs7B1 LEU 82 HA -0.02 0.11 0.70 -0.75 4.35 4.38 3hs7B1 LEU 82 HB2 -0.03 0.07 0.12 -0.04 1.64 1.75 3hs7B1 LEU 82 HB3 -0.03 -0.06 0.05 -0.04 1.64 1.56 3hs7B1 LYS 83 H -0.00 0.27 -0.06 -0.55 8.42 8.08 3hs7B1 LYS 83 HA 0.02 0.06 0.55 -0.75 4.32 4.19 3hs7B1 PRO 84 HA 0.02 0.05 0.53 -0.51 4.44 4.53 3hs7B1 PRO 84 HB2 0.04 -0.04 -0.02 -0.04 2.28 2.23 3hs7B1 PRO 84 HB3 0.02 0.02 0.08 -0.04 2.02 2.09 3hs7B1 PRO 84 HG2 0.06 0.01 0.02 -0.04 2.03 2.09 3hs7B1 PRO 84 HG3 0.02 0.01 0.06 -0.04 2.03 2.08 3hs7B1 PRO 84 HD2 0.06 0.07 0.23 -0.04 3.68 3.99 3hs7B1 PRO 84 HD3 0.01 0.28 0.30 -0.04 3.65 4.20 3hs7B1 THR 85 H 0.02 0.04 0.18 -0.55 8.28 7.98 3hs7B1 THR 85 HA 0.03 0.29 0.55 -0.75 4.39 4.51 3hs7B1 THR 85 HB 0.02 -0.02 0.16 -0.04 4.32 4.44 3hs7B1 THR 85 HG23 0.01 0.05 0.10 -0.04 1.22 1.33 3hs7B1 PRO 86 HA 0.08 0.12 0.43 -0.51 4.44 4.56 3hs7B1 PRO 86 HB2 0.03 -0.05 0.03 -0.04 2.28 2.25 3hs7B1 PRO 86 HB3 0.05 0.09 0.10 -0.04 2.02 2.22 3hs7B1 PRO 86 HG2 0.02 0.08 0.11 -0.04 2.03 2.19 3hs7B1 PRO 86 HG3 0.04 0.18 0.12 -0.04 2.03 2.34 3hs7B1 PRO 86 HD2 0.02 -0.00 0.26 -0.04 3.68 3.92 3hs7B1 PRO 86 HD3 0.03 0.29 0.29 -0.04 3.65 4.23 3hs7B1 ASN 87 H 0.05 0.11 -0.26 -0.55 8.53 7.88 3hs7B1 ASN 87 HA 0.11 0.14 0.57 -0.75 4.76 4.82 3hs7B1 ASN 87 HB2 0.04 -0.03 0.05 -0.04 2.88 2.90 3hs7B1 ASN 87 HB3 0.07 0.04 -0.00 -0.04 2.79 2.86 3hs7B1 ASN 87 HD21 0.03 0.02 0.01 -0.04 7.03 7.05 3hs7B1 ASN 87 HD22 0.02 -0.00 0.02 -0.04 7.74 7.74 3hs7B1 THR 88 H 0.06 0.15 -0.17 -0.55 8.28 7.77 3hs7B1 THR 88 HA 0.07 0.05 0.52 -0.75 4.39 4.28 3hs7B1 THR 88 HB 0.05 0.16 0.12 -0.04 4.32 4.61 3hs7B1 THR 88 HG23 0.03 0.01 -0.03 -0.04 1.22 1.18 3hs7B1 VAL 89 H 0.10 0.48 -0.16 -0.55 8.24 8.12 3hs7B1 VAL 89 HA 0.10 0.02 0.36 -0.75 4.13 3.85 3hs7B1 VAL 89 HB 0.10 0.09 0.05 -0.04 2.12 2.32 3hs7B1 VAL 89 HG13 0.06 -0.00 -0.08 -0.04 0.97 0.91 3hs7B1 VAL 89 HG23 0.09 0.06 -0.11 -0.04 0.95 0.95 3hs7B1 HIS 90 H 0.21 0.41 -0.27 -0.55 8.41 8.22 3hs7B1 HIS 90 HA 0.04 0.06 0.45 -0.75 4.63 4.43 3hs7B1 HIS 90 HB2 0.10 0.06 0.12 -0.04 3.26 3.51 3hs7B1 HIS 90 HB3 0.11 0.02 0.14 -0.04 3.20 3.43 3hs7B1 HIS 90 HD2 0.24 -0.00 0.01 -0.04 6.97 7.18 3hs7B1 HIS 90 HE1 0.03 0.05 -0.06 -0.04 7.75 7.73 3hs7B1 TYR 91 H 0.29 0.38 -0.27 -0.55 8.29 8.13 3hs7B1 TYR 91 HA 0.12 0.05 0.38 -0.75 4.56 4.36 3hs7B1 TYR 91 HB2 0.05 0.07 0.15 -0.04 3.06 3.29 3hs7B1 TYR 91 HB3 0.06 0.12 0.18 -0.04 2.98 3.29 3hs7B1 TYR 91 HD2 -0.01 0.03 -0.12 -0.04 7.15 7.02 3hs7B1 TYR 91 HE2 -0.26 -0.03 -0.03 -0.04 6.85 6.49 3hs7B1 ILE 92 H 0.29 0.46 -0.12 -0.55 8.25 8.33 3hs7B1 ILE 92 HA 0.61 -0.04 0.33 -0.75 4.18 4.31 3hs7B1 ILE 92 HB 0.21 0.13 0.10 -0.04 1.89 2.28 3hs7B1 ILE 92 HG12 0.22 -0.08 0.02 -0.04 1.49 1.61 3hs7B1 ILE 92 HG13 0.29 0.13 0.11 -0.04 1.21 1.69 3hs7B1 ILE 92 HG23 0.21 -0.02 -0.08 -0.04 0.93 1.00 3hs7B1 ILE 92 HD13 0.07 -0.02 -0.05 -0.04 0.88 0.84 3hs7B1 LEU 93 H 0.02 0.37 -0.31 -0.55 8.37 7.91 3hs7B1 LEU 93 HA -0.24 0.00 0.46 -0.75 4.35 3.81 3hs7B1 LEU 93 HB2 -0.55 0.15 0.12 -0.04 1.64 1.32 3hs7B1 LEU 93 HB3 -1.07 -0.09 0.05 -0.04 1.64 0.49 3hs7B1 LEU 93 HG -0.22 -0.01 0.01 -0.04 1.64 1.38 3hs7B1 LEU 93 HD13 -0.74 0.01 -0.06 -0.04 0.93 0.10 3hs7B1 LEU 93 HD23 -0.99 -0.02 -0.00 -0.04 0.89 -0.17 3hs7B1 THR 94 H -0.11 0.37 -0.25 -0.55 8.28 7.74 3hs7B1 THR 94 HA -0.49 0.15 0.90 -0.75 4.39 4.19 3hs7B1 THR 94 HB -0.30 -0.05 0.16 -0.04 4.32 4.09 3hs7B1 THR 94 HG23 -0.39 0.04 -0.14 -0.04 1.22 0.69 3hs7B1 HIS 95 H 0.23 0.31 -0.25 -0.55 8.41 8.15 3hs7B1 HIS 95 HA 0.01 0.11 0.81 -0.75 4.63 4.81 3hs7B1 HIS 95 HB2 -0.54 0.15 0.04 -0.04 3.26 2.88 3hs7B1 HIS 95 HB3 -0.77 -0.26 0.18 -0.04 3.20 2.31 3hs7B1 HIS 95 HD2 -0.33 -0.10 0.05 -0.04 6.97 6.54 3hs7B1 HIS 95 HE1 -0.21 0.00 -0.03 -0.04 7.75 7.46 3hs7B1 PHE 96 H -0.25 0.10 0.16 -0.55 8.34 7.79 3hs7B1 PHE 96 HA 0.05 -0.04 0.37 -0.75 4.62 4.25 3hs7B1 PHE 96 HB2 0.02 0.32 0.13 -0.04 3.15 3.58 3hs7B1 PHE 96 HB3 -0.10 -0.14 0.22 -0.04 3.06 2.99 3hs7B1 PHE 96 HD2 0.10 0.15 -0.06 -0.04 7.28 7.42 3hs7B1 PHE 96 HE2 0.14 0.00 -0.03 -0.04 7.38 7.45 3hs7B1 PHE 96 HZ 0.15 0.00 -0.02 -0.04 7.32 7.41 3hs7B1 LYS 97 H -0.03 0.12 -0.06 -0.55 8.42 7.89 3hs7B1 LYS 97 HA -0.17 0.19 0.14 -0.75 4.32 3.71 3hs7B1 LYS 97 HB2 -0.52 0.08 0.05 -0.04 1.87 1.43 3hs7B1 LYS 97 HB3 -0.17 -0.08 0.05 -0.04 1.79 1.55 3hs7B1 GLY 98 H 0.01 0.04 -0.21 -0.55 8.43 7.73 3hs7B1 GLY 98 HA2 0.02 0.11 0.40 -0.51 4.01 4.03 3hs7B1 GLY 98 HA3 0.01 0.03 0.26 -0.51 4.01 3.80 3hs7B1 VAL 99 H 0.03 0.20 -0.15 -0.55 8.24 7.76 3hs7B1 VAL 99 HA -0.08 0.03 0.47 -0.75 4.13 3.79 3hs7B1 VAL 99 HB -0.34 0.21 0.17 -0.04 2.12 2.12 3hs7B1 VAL 99 HG13 -0.41 -0.01 -0.03 -0.04 0.97 0.48 3hs7B1 VAL 99 HG23 -0.07 -0.03 0.06 -0.04 0.95 0.87 3hs7B1 TRP 100 H 0.09 0.49 -0.09 -0.55 7.97 7.91 3hs7B1 TRP 100 HA 0.11 -0.02 0.40 -0.75 4.62 4.35 3hs7B1 TRP 100 HB2 0.14 0.13 -0.05 -0.04 3.23 3.41 3hs7B1 TRP 100 HB3 0.20 0.03 -0.25 -0.04 3.23 3.17 3hs7B1 TRP 100 HD1 0.26 0.09 -0.16 -0.04 7.22 7.38 3hs7B1 TRP 100 HE1 0.17 0.66 0.18 -0.04 10.20 11.17 3hs7B1 TRP 100 HE3 0.24 -0.07 -0.01 -0.04 7.59 7.71 3hs7B1 TRP 100 HZ2 -0.08 -0.00 -0.21 -0.04 7.44 7.11 3hs7B1 TRP 100 HZ3 -0.28 -0.01 -0.05 -0.04 7.13 6.75 3hs7B1 TRP 100 HH2 -0.26 -0.00 -0.06 -0.04 7.19 6.83 3hs7B1 ASN 101 H 0.16 0.30 -0.41 -0.55 8.53 8.04 3hs7B1 ASN 101 HA 0.13 0.10 0.51 -0.75 4.76 4.75 3hs7B1 ASN 101 HB2 0.07 0.10 0.12 -0.04 2.88 3.12 3hs7B1 ASN 101 HB3 0.05 0.08 0.08 -0.04 2.79 2.96 3hs7B1 ASN 101 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.97 3hs7B1 ASN 101 HD22 0.02 -0.03 -0.02 -0.04 7.74 7.67 3hs7B1 ILE 102 H 0.06 0.35 -0.20 -0.55 8.25 7.90 3hs7B1 ILE 102 HA 0.05 0.08 0.64 -0.75 4.18 4.19 3hs7B1 VAL 103 H 0.08 0.51 0.04 -0.55 8.24 8.32 3hs7B1 VAL 103 HA 0.10 -0.04 0.36 -0.75 4.13 3.80 3hs7B1 VAL 103 HB 0.46 0.08 0.14 -0.04 2.12 2.76 3hs7B1 VAL 103 HG13 0.43 -0.01 -0.16 -0.04 0.97 1.18 3hs7B1 VAL 103 HG23 -0.21 0.04 -0.01 -0.04 0.95 0.73 3hs7B1 ASN 104 H 0.23 0.61 -0.25 -0.55 8.53 8.57 3hs7B1 ASN 104 HA 0.14 0.04 0.44 -0.75 4.76 4.63 3hs7B1 ASN 104 HB2 0.12 0.08 0.10 -0.04 2.88 3.14 3hs7B1 ASN 104 HB3 0.05 -0.03 0.12 -0.04 2.79 2.88 3hs7B1 ASN 104 HD21 0.13 0.32 0.24 -0.04 7.03 7.69 3hs7B1 ASN 104 HD22 0.12 -0.04 0.00 -0.04 7.74 7.78 3hs7B1 ASN 105 H 0.10 0.35 -0.60 -0.55 8.53 7.82 3hs7B1 ASN 105 HA 0.05 0.17 0.86 -0.75 4.76 5.09 3hs7B1 ASN 105 HB2 0.05 0.11 0.13 -0.04 2.88 3.13 3hs7B1 ASN 105 HB3 0.04 -0.11 0.16 -0.04 2.79 2.85 3hs7B1 ASN 105 HD21 0.04 -0.10 0.00 -0.04 7.03 6.93 3hs7B1 ASN 105 HD22 0.05 0.43 0.13 -0.04 7.74 8.31 3hs7B1 ILE 105 H 0.09 0.36 -0.15 -0.55 8.25 8.01 3hs7B1 ILE 105 HA 0.08 0.19 0.88 -0.75 4.18 4.58 3hs7B1 ILE 105 HB 0.10 -0.02 0.21 -0.04 1.89 2.13 3hs7B1 ILE 105 HG23 0.13 -0.07 0.02 -0.04 0.93 0.97 3hs7B1 PRO 106 HA 0.09 0.15 0.26 -0.51 4.44 4.43 3hs7B1 PRO 106 HB2 0.11 -0.02 0.03 -0.04 2.28 2.35 3hs7B1 PRO 106 HB3 0.08 0.08 0.05 -0.04 2.02 2.19 3hs7B1 PRO 106 HG2 0.07 0.02 0.07 -0.04 2.03 2.15 3hs7B1 PRO 106 HG3 0.06 0.12 0.03 -0.04 2.03 2.20 3hs7B1 PRO 106 HD2 0.09 0.01 0.18 -0.04 3.68 3.92 3hs7B1 PRO 106 HD3 0.07 0.39 0.12 -0.04 3.65 4.19 3hs7B1 PHE 107 H 0.24 0.12 -0.14 -0.55 8.34 8.01 3hs7B1 PHE 107 HA 0.05 0.10 0.46 -0.75 4.62 4.47 3hs7B1 PHE 107 HB2 0.03 0.02 0.08 -0.04 3.15 3.25 3hs7B1 PHE 107 HB3 0.03 -0.03 0.07 -0.04 3.06 3.09 3hs7B1 PHE 107 HD2 0.03 -0.00 -0.03 -0.04 7.28 7.24 3hs7B1 PHE 107 HE2 0.02 0.02 -0.03 -0.04 7.38 7.34 3hs7B1 PHE 107 HZ 0.02 0.02 -0.03 -0.04 7.32 7.29 3hs7B1 LEU 108 H 0.13 0.11 -0.13 -0.55 8.37 7.94 3hs7B1 LEU 108 HA -0.21 0.02 0.47 -0.75 4.35 3.87 3hs7B1 LEU 108 HB2 0.08 0.09 0.18 -0.04 1.64 1.96 3hs7B1 LEU 108 HB3 0.06 0.05 0.01 -0.04 1.64 1.73 3hs7B1 LEU 108 HG 0.05 -0.06 0.03 -0.04 1.64 1.62 3hs7B1 LEU 108 HD13 0.04 -0.00 0.01 -0.04 0.93 0.94 3hs7B1 LEU 108 HD23 -0.05 -0.00 0.03 -0.04 0.89 0.82 3hs7B1 ARG 109 H 0.11 0.48 -0.14 -0.55 8.46 8.35 3hs7B1 ARG 109 HA 0.42 0.01 0.45 -0.75 4.34 4.46 3hs7B1 ARG 109 HB2 0.15 0.19 0.07 -0.04 1.90 2.27 3hs7B1 ARG 109 HB3 0.10 0.02 0.05 -0.04 1.80 1.93 3hs7B1 ARG 109 HG2 0.07 -0.07 -0.09 -0.04 1.67 1.53 3hs7B1 ARG 109 HG3 0.06 -0.05 0.03 -0.04 1.67 1.67 3hs7B1 ARG 109 HD2 -0.01 0.07 0.06 -0.04 3.22 3.31 3hs7B1 ARG 109 HD3 0.02 -0.06 -0.04 -0.04 3.22 3.10 3hs7B1 SER 110 H 0.05 0.52 -0.11 -0.55 8.46 8.37 3hs7B1 SER 110 HA 0.06 0.04 0.49 -0.75 4.49 4.32 3hs7B1 SER 110 HB2 0.02 0.08 0.18 -0.04 3.95 4.20 3hs7B1 SER 110 HB3 0.02 -0.05 -0.01 -0.04 3.93 3.86 3hs7B1 LEU 111 H -0.16 0.45 -0.16 -0.55 8.37 7.95 3hs7B1 LEU 111 HA -0.09 0.04 0.42 -0.75 4.35 3.96 3hs7B1 LEU 111 HB2 -0.55 0.09 0.13 -0.04 1.64 1.27 3hs7B1 LEU 111 HB3 -0.23 0.07 0.11 -0.04 1.64 1.55 3hs7B1 LEU 111 HG -0.13 -0.01 0.05 -0.04 1.64 1.51 3hs7B1 LEU 111 HD13 -0.32 -0.02 -0.01 -0.04 0.93 0.54 3hs7B1 LEU 111 HD23 -0.11 -0.01 -0.13 -0.04 0.89 0.61 3hs7B1 ILE 112 H 0.00 0.44 -0.17 -0.55 8.25 7.98 3hs7B1 ILE 112 HA -0.03 0.04 0.48 -0.75 4.18 3.91 3hs7B1 ILE 112 HB -0.17 0.11 0.12 -0.04 1.89 1.91 3hs7B1 ILE 112 HG12 -0.07 -0.05 0.01 -0.04 1.49 1.33 3hs7B1 ILE 112 HG13 -0.04 0.14 0.10 -0.04 1.21 1.37 3hs7B1 ILE 112 HG23 -0.51 -0.01 -0.11 -0.04 0.93 0.26 3hs7B1 ILE 112 HD13 0.11 -0.02 -0.03 -0.04 0.88 0.91 3hs7B1 MET 113 H 0.23 0.54 -0.08 -0.55 8.47 8.61 3hs7B1 MET 113 HA 0.24 -0.01 0.39 -0.75 4.52 4.39 3hs7B1 MET 113 HB2 0.32 0.14 0.15 -0.04 2.15 2.72 3hs7B1 MET 113 HB3 0.12 0.06 0.10 -0.04 2.03 2.26 3hs7B1 MET 113 HG2 0.08 0.03 0.09 -0.04 2.63 2.79 3hs7B1 MET 113 HG3 0.07 -0.01 -0.04 -0.04 2.56 2.55 3hs7B1 MET 113 HE3 0.10 0.04 0.01 -0.04 2.10 2.22 3hs7B1 LYS 114 H 0.05 0.41 -0.42 -0.55 8.42 7.91 3hs7B1 LYS 114 HA 0.00 0.02 0.42 -0.75 4.32 4.01 3hs7B1 LYS 114 HB2 0.01 0.13 0.16 -0.04 1.87 2.13 3hs7B1 LYS 114 HB3 0.04 0.15 0.13 -0.04 1.79 2.06 3hs7B1 LYS 114 HG2 0.03 -0.07 -0.10 -0.04 1.46 1.28 3hs7B1 LYS 114 HG3 -0.00 0.07 0.04 -0.04 1.46 1.53 3hs7B1 TYR 115 H 0.14 0.38 -0.16 -0.55 8.29 8.10 3hs7B1 TYR 115 HA 0.00 -0.00 0.51 -0.75 4.56 4.32 3hs7B1 TYR 115 HB2 -0.02 0.01 0.13 -0.04 3.06 3.14 3hs7B1 TYR 115 HB3 -0.03 0.11 0.15 -0.04 2.98 3.16 3hs7B1 TYR 115 HD2 -0.01 0.01 -0.05 -0.04 7.15 7.07 3hs7B1 TYR 115 HE2 0.01 0.01 -0.01 -0.04 6.85 6.81 3hs7B1 VAL 116 H 0.08 0.50 -0.11 -0.55 8.24 8.16 3hs7B1 VAL 116 HA -0.03 0.01 0.36 -0.75 4.13 3.72 3hs7B1 VAL 116 HB 0.11 0.16 0.14 -0.04 2.12 2.49 3hs7B1 VAL 116 HG13 0.13 -0.02 -0.12 -0.04 0.97 0.92 3hs7B1 VAL 116 HG23 0.07 0.04 -0.04 -0.04 0.95 0.98 3hs7B1 LEU 117 H -0.00 0.42 -0.28 -0.55 8.37 7.96 3hs7B1 LEU 117 HA -0.01 0.03 0.41 -0.75 4.35 4.02 3hs7B1 LEU 117 HB2 -0.07 0.12 0.10 -0.04 1.64 1.75 3hs7B1 LEU 117 HB3 -0.12 -0.04 -0.02 -0.04 1.64 1.42 3hs7B1 LEU 117 HG 0.01 0.12 0.05 -0.04 1.64 1.79 3hs7B1 LEU 117 HD13 -0.08 -0.02 -0.06 -0.04 0.93 0.73 3hs7B1 LEU 117 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.80 3hs7B1 THR 118 H -0.07 0.40 -0.09 -0.55 8.28 7.97 3hs7B1 THR 118 HA 0.02 0.09 0.46 -0.75 4.39 4.21 3hs7B1 THR 118 HB 0.01 -0.04 0.02 -0.04 4.32 4.27 3hs7B1 THR 118 HG23 0.01 0.03 0.02 -0.04 1.22 1.24 3hs7B1 SER 119 H -0.34 0.60 0.09 -0.55 8.46 8.26 3hs7B1 SER 119 HA -0.03 0.01 0.37 -0.75 4.49 4.08 3hs7B1 SER 119 HB2 -0.30 -0.04 0.11 -0.04 3.95 3.68 3hs7B1 SER 119 HB3 -1.41 -0.04 0.14 -0.04 3.93 2.57 3hs7B1 ARG 120 H -0.05 0.11 -0.91 -0.55 8.46 7.05 3hs7B1 ARG 120 HA -0.08 0.18 0.75 -0.75 4.34 4.43 3hs7B1 ARG 120 HB2 -0.04 0.20 -0.02 -0.04 1.90 2.00 3hs7B1 ARG 120 HB3 -0.01 0.03 -0.06 -0.04 1.80 1.72 3hs7B1 ARG 120 HG2 -0.03 -0.10 -0.09 -0.04 1.67 1.40 3hs7B1 ARG 120 HG3 -0.03 0.04 0.01 -0.04 1.67 1.66 3hs7B1 ARG 120 HD2 0.03 0.04 -0.14 -0.04 3.22 3.11 3hs7B1 ARG 120 HD3 0.03 -0.13 -0.16 -0.04 3.22 2.91 3hs7B1 SER 121 H 0.04 0.29 0.00 -0.55 8.46 8.24 3hs7B1 SER 121 HA -0.00 0.09 0.47 -0.75 4.49 4.30 3hs7B1 SER 121 HB2 0.16 0.07 0.23 -0.04 3.95 4.36 3hs7B1 SER 121 HB3 0.19 -0.03 0.11 -0.04 3.93 4.16 3hs7B1 TYR 122 H 0.17 0.24 -0.14 -0.55 8.29 8.01 3hs7B1 TYR 122 HA -0.04 0.11 0.55 -0.75 4.56 4.43 3hs7B1 TYR 122 HB2 -0.03 -0.03 0.10 -0.04 3.06 3.07 3hs7B1 TYR 122 HB3 -0.02 0.01 0.09 -0.04 2.98 3.02 3hs7B1 TYR 122 HD2 -0.04 0.00 -0.12 -0.04 7.15 6.95 3hs7B1 TYR 122 HE2 -0.03 0.07 -0.00 -0.04 6.85 6.84 3hs7B1 LEU 123 H -0.46 0.21 -0.51 -0.55 8.37 7.07 3hs7B1 LEU 123 HA -0.53 0.09 0.44 -0.75 4.35 3.59 3hs7B1 LEU 123 HB2 -0.30 0.18 0.09 -0.04 1.64 1.58 3hs7B1 LEU 123 HB3 -0.44 -0.04 0.14 -0.04 1.64 1.26 3hs7B1 LEU 123 HG -1.10 -0.08 -0.03 -0.04 1.64 0.39 3hs7B1 LEU 123 HD13 -0.14 0.02 0.12 -0.04 0.93 0.89 3hs7B1 LEU 123 HD23 -0.33 -0.00 0.01 -0.04 0.89 0.52 3hs7B1 ILE 124 H -0.15 0.36 -0.59 -0.55 8.25 7.33 3hs7B1 ILE 124 HA -0.12 0.09 0.91 -0.75 4.18 4.30 3hs7B1 ILE 124 HB -0.07 0.10 0.04 -0.04 1.89 1.92 3hs7B1 ILE 124 HG12 -0.14 0.03 -0.20 -0.04 1.49 1.15 3hs7B1 ILE 124 HG13 -0.06 0.03 -0.19 -0.04 1.21 0.95 3hs7B1 ILE 124 HG23 0.04 -0.01 -0.17 -0.04 0.93 0.75 3hs7B1 ILE 124 HD13 -0.29 0.01 -0.26 -0.04 0.88 0.30 3hs7B1 ASP 125 H -0.05 0.09 0.11 -0.55 8.40 8.00 3hs7B1 ASP 125 HA -0.07 0.09 0.55 -0.75 4.63 4.45 3hs7B1 ASP 125 HB2 -0.05 -0.14 0.17 -0.04 2.71 2.65 3hs7B1 ASP 125 HB3 -0.09 0.10 -0.01 -0.04 2.70 2.66 3hs7B1 SER 126 H -0.07 0.22 0.05 -0.55 8.46 8.11 3hs7B1 SER 126 HA -0.07 -0.06 0.37 -0.75 4.49 3.97 3hs7B1 SER 126 HB2 -0.10 0.05 -0.37 -0.04 3.95 3.48 3hs7B1 SER 126 HB3 -0.14 0.00 0.06 -0.04 3.93 3.82 3hs7B1 PRO 127 HA -0.02 0.09 0.25 -0.51 4.44 4.26 3hs7B1 PRO 127 HB2 -0.10 0.04 -0.07 -0.04 2.28 2.10 3hs7B1 PRO 127 HB3 0.07 0.04 0.04 -0.04 2.02 2.13 3hs7B1 PRO 127 HG2 -0.12 -0.03 0.05 -0.04 2.03 1.89 3hs7B1 PRO 127 HG3 -0.03 0.01 0.05 -0.04 2.03 2.02 3hs7B1 PRO 127 HD2 -0.08 0.03 0.08 -0.04 3.68 3.67 3hs7B1 PRO 127 HD3 -0.06 0.14 0.50 -0.04 3.65 4.18 3hs7B1 PRO 128 HA -0.07 0.20 0.25 -0.51 4.44 4.31 3hs7B1 PRO 128 HB2 -0.09 0.03 -0.10 -0.04 2.28 2.07 3hs7B1 PRO 128 HB3 -0.07 0.03 0.05 -0.04 2.02 1.99 3hs7B1 PRO 128 HG2 -0.09 0.08 -0.02 -0.04 2.03 1.97 3hs7B1 PRO 128 HG3 -0.16 0.05 0.00 -0.04 2.03 1.88 3hs7B1 PRO 128 HD2 0.11 0.06 0.12 -0.04 3.68 3.93 3hs7B1 PRO 128 HD3 -0.04 0.10 0.08 -0.04 3.65 3.75 3hs7B1 THR 129 H -0.13 0.08 0.07 -0.55 8.28 7.75 3hs7B1 THR 129 HA -0.26 0.17 0.88 -0.75 4.39 4.43 3hs7B1 THR 129 HB -1.08 -0.05 0.01 -0.04 4.32 3.16 3hs7B1 THR 129 HG23 -0.26 0.02 -0.12 -0.04 1.22 0.82 3hs7B1 TYR 130 H -0.25 0.17 0.14 -0.55 8.29 7.81 3hs7B1 TYR 130 HA -0.09 0.09 0.34 -0.75 4.56 4.15 3hs7B1 TYR 130 HB2 -0.04 -0.03 -0.08 -0.04 3.06 2.87 3hs7B1 TYR 130 HB3 -0.05 0.32 0.20 -0.04 2.98 3.41 3hs7B1 TYR 130 HD2 -0.04 0.07 -0.36 -0.04 7.15 6.78 3hs7B1 TYR 130 HE2 -0.01 -0.02 -0.07 -0.04 6.85 6.71 3hs7B1 ASN 131 H 0.04 0.34 0.31 -0.55 8.53 8.67 3hs7B1 ASN 131 HA -0.01 0.14 0.28 -0.75 4.76 4.43 3hs7B1 ASN 131 HB2 -0.13 0.09 0.28 -0.04 2.88 3.08 3hs7B1 ASN 131 HB3 -0.17 0.21 0.05 -0.04 2.79 2.84 3hs7B1 ASN 131 HD21 -1.04 -0.10 -0.10 -0.04 7.03 5.74 3hs7B1 ASN 131 HD22 -0.65 0.28 -0.01 -0.04 7.74 7.31 3hs7B1 VAL 132 H -0.06 0.26 0.16 -0.55 8.24 8.05 3hs7B1 VAL 132 HA -0.00 0.19 0.29 -0.75 4.13 3.86 3hs7B1 VAL 132 HB -0.03 -0.00 0.17 -0.04 2.12 2.22 3hs7B1 VAL 132 HG13 -0.36 -0.02 -0.02 -0.04 0.97 0.53 3hs7B1 VAL 132 HG23 0.03 0.05 0.07 -0.04 0.95 1.06 3hs7B1 HIS 133 H -0.13 -0.00 -0.30 -0.55 8.41 7.43 3hs7B1 HIS 133 HA -0.13 0.24 0.79 -0.75 4.63 4.78 3hs7B1 HIS 133 HB2 -0.14 -0.03 -0.00 -0.04 3.26 3.05 3hs7B1 HIS 133 HB3 -0.45 -0.02 0.05 -0.04 3.20 2.73 3hs7B1 HIS 133 HD2 0.04 0.15 -0.15 -0.04 6.97 6.97 3hs7B1 HIS 133 HE1 0.41 0.02 -0.04 -0.04 7.75 8.09 3hs7B1 TYR 134 H -0.04 0.25 -0.22 -0.55 8.29 7.73 3hs7B1 TYR 134 HA -0.29 0.12 1.03 -0.75 4.56 4.66 3hs7B1 TYR 134 HB2 -0.26 -0.06 0.15 -0.04 3.06 2.85 3hs7B1 TYR 134 HB3 -0.52 0.24 0.09 -0.04 2.98 2.75 3hs7B1 TYR 134 HD2 -0.57 0.01 -0.08 -0.04 7.15 6.48 3hs7B1 TYR 134 HE2 0.06 0.01 -0.07 -0.04 6.85 6.81 3hs7B1 GLY 135 H -0.06 0.16 0.09 -0.55 8.43 8.08 3hs7B1 GLY 135 HA2 -0.14 0.15 0.69 -0.51 4.01 4.20 3hs7B1 GLY 135 HA3 -0.05 0.06 0.34 -0.51 4.01 3.85 3hs7B1 TYR 136 H -0.25 0.06 -0.20 -0.55 8.29 7.35 3hs7B1 TYR 136 HA 0.29 0.19 0.73 -0.75 4.56 5.01 3hs7B1 TYR 136 HB2 0.13 0.05 0.05 -0.04 3.06 3.25 3hs7B1 TYR 136 HB3 0.12 0.03 -0.01 -0.04 2.98 3.09 3hs7B1 TYR 136 HD2 0.12 0.13 -0.17 -0.04 7.15 7.19 3hs7B1 TYR 136 HE2 0.14 -0.01 0.00 -0.04 6.85 6.94 3hs7B1 LYS 137 H 0.23 0.14 0.08 -0.55 8.42 8.31 3hs7B1 LYS 137 HA -0.10 0.13 0.42 -0.75 4.32 4.02 3hs7B1 LYS 137 HB2 0.04 -0.05 0.09 -0.04 1.87 1.91 3hs7B1 LYS 137 HB3 -0.06 0.05 -0.00 -0.04 1.79 1.74 3hs7B1 LYS 137 HG2 -0.37 0.04 -0.04 -0.04 1.46 1.05 3hs7B1 LYS 137 HG3 -0.11 -0.04 0.02 -0.04 1.46 1.30 3hs7B1 LYS 137 HD2 -0.05 -0.05 -0.01 -0.04 1.69 1.54 3hs7B1 LYS 137 HD3 -0.16 0.08 -0.04 -0.04 1.68 1.53 3hs7B1 LYS 137 HE2 -0.06 0.05 -0.02 -0.04 2.99 2.92 3hs7B1 LYS 137 HE3 -0.14 0.03 -0.01 -0.04 2.99 2.83 3hs7B1 SER 138 H -0.12 0.35 0.25 -0.55 8.46 8.39 3hs7B1 SER 138 HA 0.10 0.15 0.60 -0.75 4.49 4.58 3hs7B1 SER 138 HB2 -0.06 -0.10 0.15 -0.04 3.95 3.90 3hs7B1 SER 138 HB3 -0.00 0.18 -0.19 -0.04 3.93 3.88 3hs7B1 TRP 139 H 0.23 0.18 0.16 -0.55 7.97 7.99 3hs7B1 TRP 139 HA 0.05 0.18 0.53 -0.75 4.62 4.63 3hs7B1 TRP 139 HB2 0.00 0.03 0.12 -0.04 3.23 3.34 3hs7B1 TRP 139 HB3 0.00 -0.01 0.07 -0.04 3.23 3.25 3hs7B1 TRP 139 HD1 0.04 -0.01 -0.13 -0.04 7.22 7.08 3hs7B1 TRP 139 HE1 0.09 0.03 -0.02 -0.04 10.20 10.27 3hs7B1 TRP 139 HE3 -0.05 -0.03 -0.04 -0.04 7.59 7.43 3hs7B1 TRP 139 HZ2 0.20 0.02 -0.01 -0.04 7.44 7.60 3hs7B1 TRP 139 HZ3 -0.25 0.03 -0.03 -0.04 7.13 6.84 3hs7B1 TRP 139 HH2 -0.08 0.03 -0.02 -0.04 7.19 7.07 3hs7B1 GLU 140 H -0.05 0.07 -0.05 -0.55 8.60 8.02 3hs7B1 GLU 140 HA -0.02 0.08 0.46 -0.75 4.29 4.05 3hs7B1 GLU 140 HB2 -0.41 -0.06 0.09 -0.04 2.09 1.67 3hs7B1 GLU 140 HB3 -0.39 0.09 -0.12 -0.04 1.99 1.53 3hs7B1 GLU 140 HG2 0.10 -0.03 0.03 -0.04 2.34 2.41 3hs7B1 GLU 140 HG3 0.21 0.03 -0.00 -0.04 2.34 2.54 3hs7B1 ALA 141 H -0.50 -0.01 -0.34 -0.55 8.40 7.01 3hs7B1 ALA 141 HA -0.38 0.03 0.31 -0.75 4.34 3.55 3hs7B1 ALA 141 HB3 -0.28 0.04 0.09 -0.04 1.41 1.22 3hs7B1 PHE 142 H -0.21 0.25 -0.11 -0.55 8.34 7.71 3hs7B1 PHE 142 HA -0.33 0.17 0.38 -0.75 4.62 4.09 3hs7B1 PHE 142 HB2 -0.40 0.08 0.07 -0.04 3.15 2.86 3hs7B1 PHE 142 HB3 -0.76 -0.10 0.16 -0.04 3.06 2.32 3hs7B1 PHE 142 HD2 -1.30 0.03 -0.03 -0.04 7.28 5.93 3hs7B1 PHE 142 HE2 -0.36 -0.04 -0.04 -0.04 7.38 6.91 3hs7B1 PHE 142 HZ -0.15 -0.03 -0.04 -0.04 7.32 7.06 3hs7B1 SER 143 H -0.53 0.52 -0.11 -0.55 8.46 7.80 3hs7B1 SER 143 HA -0.94 0.13 0.38 -0.75 4.49 3.30 3hs7B1 SER 143 HB2 -0.15 -0.08 0.07 -0.04 3.95 3.75 3hs7B1 SER 143 HB3 -0.95 -0.05 0.07 -0.04 3.93 2.96 3hs7B1 ASN 144 H -0.19 0.48 -0.15 -0.55 8.53 8.13 3hs7B1 ASN 144 HA -0.01 -0.01 0.69 -0.75 4.76 4.68 3hs7B1 ASN 144 HB2 0.12 -0.04 0.13 -0.04 2.88 3.05 3hs7B1 ASN 144 HB3 0.27 0.12 0.20 -0.04 2.79 3.34 3hs7B1 ASN 144 HD21 0.17 -0.02 -0.02 -0.04 7.03 7.13 3hs7B1 ASN 144 HD22 0.29 -0.00 0.00 -0.04 7.74 7.99 3hs7B1 LEU 145 H -0.04 0.19 0.21 -0.55 8.37 8.19 3hs7B1 LEU 145 HA -0.05 0.23 0.34 -0.75 4.35 4.12 3hs7B1 LEU 145 HB2 0.01 -0.11 0.10 -0.04 1.64 1.60 3hs7B1 LEU 145 HB3 0.13 0.05 0.17 -0.04 1.64 1.96 3hs7B1 LEU 145 HG -0.13 0.07 0.09 -0.04 1.64 1.64 3hs7B1 LEU 145 HD13 -0.02 0.02 0.08 -0.04 0.93 0.97 3hs7B1 LEU 145 HD23 -0.22 0.03 0.00 -0.04 0.89 0.66 3hs7B1 SER 146 H 0.05 -0.03 -0.43 -0.55 8.46 7.51 3hs7B1 SER 146 HA -0.03 0.16 0.48 -0.75 4.49 4.34 3hs7B1 SER 146 HB2 0.02 -0.02 -0.00 -0.04 3.95 3.90 3hs7B1 SER 146 HB3 0.07 -0.03 0.05 -0.04 3.93 3.97 3hs7B1 TYR 147 H 0.16 0.35 -0.26 -0.55 8.29 7.98 3hs7B1 TYR 147 HA -0.36 0.08 0.87 -0.75 4.56 4.40 3hs7B1 TYR 147 HB2 -0.12 0.17 0.05 -0.04 3.06 3.12 3hs7B1 TYR 147 HB3 -0.18 0.21 0.04 -0.04 2.98 3.01 3hs7B1 TYR 147 HD2 -0.31 0.12 0.05 -0.04 7.15 6.96 3hs7B1 TYR 147 HE2 -0.23 -0.04 -0.06 -0.04 6.85 6.49 3hs7B1 TYR 148 H -0.03 0.47 0.26 -0.55 8.29 8.43 3hs7B1 TYR 148 HA 0.13 0.17 0.73 -0.75 4.56 4.84 3hs7B1 TYR 148 HB2 -0.01 -0.03 0.13 -0.04 3.06 3.11 3hs7B1 TYR 148 HB3 0.02 -0.06 -0.03 -0.04 2.98 2.87 3hs7B1 TYR 148 HD2 0.03 0.05 -0.27 -0.04 7.15 6.91 3hs7B1 TYR 148 HE2 0.05 0.11 -0.06 -0.04 6.85 6.91 3hs7B1 THR 149 H 0.15 0.52 0.13 -0.55 8.28 8.52 3hs7B1 THR 149 HA 0.01 0.26 0.71 -0.75 4.39 4.61 3hs7B1 THR 149 HB -0.05 0.06 -0.04 -0.04 4.32 4.25 3hs7B1 THR 149 HG23 0.04 -0.01 -0.36 -0.04 1.22 0.85 3hs7B1 ARG 150 H 0.05 0.51 0.15 -0.55 8.46 8.62 3hs7B1 ARG 150 HA 0.06 -0.10 0.93 -0.75 4.34 4.47 3hs7B1 ARG 150 HB2 0.10 -0.02 -0.36 -0.04 1.90 1.58 3hs7B1 ARG 150 HB3 0.04 0.23 -0.17 -0.04 1.80 1.85 3hs7B1 ARG 150 HG2 0.04 0.04 -0.54 -0.04 1.67 1.16 3hs7B1 ARG 150 HG3 0.02 0.01 -0.40 -0.04 1.67 1.26 3hs7B1 ARG 150 HD2 -0.06 -0.20 0.09 -0.04 3.22 3.01 3hs7B1 ARG 150 HD3 0.03 -0.04 -0.05 -0.04 3.22 3.12 3hs7B1 ALA 151 H 0.19 0.02 0.14 -0.55 8.40 8.19 3hs7B1 ALA 151 HA 0.17 0.13 0.56 -0.75 4.34 4.45 3hs7B1 ALA 151 HB3 0.50 0.01 0.10 -0.04 1.41 1.99 3hs7B1 LEU 152 H 0.09 0.03 -0.22 -0.55 8.37 7.72 3hs7B1 LEU 152 HA -0.12 0.23 0.68 -0.75 4.35 4.39 3hs7B1 LEU 152 HB2 -0.42 -0.12 -0.21 -0.04 1.64 0.85 3hs7B1 LEU 152 HB3 -0.40 -0.02 -0.05 -0.04 1.64 1.13 3hs7B1 LEU 152 HG -0.34 0.07 -0.01 -0.04 1.64 1.32 3hs7B1 LEU 152 HD13 -0.21 0.03 0.09 -0.04 0.93 0.80 3hs7B1 LEU 152 HD23 -0.82 -0.03 -0.19 -0.04 0.89 -0.18 3hs7B1 PRO 153 HA -0.24 0.07 0.37 -0.51 4.44 4.14 3hs7B1 PRO 153 HB2 -0.33 0.11 0.05 -0.04 2.28 2.06 3hs7B1 PRO 153 HB3 -0.92 0.02 0.17 -0.04 2.02 1.25 3hs7B1 PRO 153 HG2 -0.31 0.01 0.05 -0.04 2.03 1.74 3hs7B1 PRO 153 HG3 -0.55 0.04 0.11 -0.04 2.03 1.59 3hs7B1 PRO 153 HD2 -0.29 0.09 0.21 -0.04 3.68 3.64 3hs7B1 PRO 153 HD3 -0.62 0.14 0.12 -0.04 3.65 3.25 3hs7B1 PRO 154 HA -0.01 0.20 0.57 -0.51 4.44 4.68 3hs7B1 PRO 154 HB2 0.01 0.12 -0.08 -0.04 2.28 2.29 3hs7B1 PRO 154 HB3 0.03 0.11 0.08 -0.04 2.02 2.20 3hs7B1 PRO 154 HG2 -0.04 -0.14 -0.10 -0.04 2.03 1.70 3hs7B1 PRO 154 HG3 -0.01 0.16 -0.11 -0.04 2.03 2.03 3hs7B1 PRO 154 HD2 -0.11 -0.04 0.08 -0.04 3.68 3.57 3hs7B1 PRO 154 HD3 -0.04 0.14 -0.01 -0.04 3.65 3.70 3hs7B1 VAL 155 H 0.01 0.58 0.21 -0.55 8.24 8.48 3hs7B1 VAL 155 HA -0.06 -0.06 0.54 -0.75 4.13 3.79 3hs7B1 VAL 155 HB 0.02 0.03 0.10 -0.04 2.12 2.23 3hs7B1 VAL 155 HG13 -0.01 0.04 -0.16 -0.04 0.97 0.80 3hs7B1 VAL 155 HG23 0.01 0.03 -0.04 -0.04 0.95 0.91 3hs7B1 ALA 156 H -0.09 0.02 0.11 -0.55 8.40 7.90 3hs7B1 ALA 156 HA -0.04 0.09 0.34 -0.75 4.34 3.97 3hs7B1 ALA 156 HB3 -0.11 -0.03 0.09 -0.04 1.41 1.32 3hs7B1 ASP 157 H 0.03 0.07 0.17 -0.55 8.40 8.13 3hs7B1 ASP 157 HA 0.03 0.21 0.37 -0.75 4.63 4.49 3hs7B1 ASP 157 HB2 0.05 -0.09 0.11 -0.04 2.71 2.74 3hs7B1 ASP 157 HB3 0.04 0.02 0.07 -0.04 2.70 2.79 3hs7B1 ASP 158 H 0.08 -0.06 -0.15 -0.55 8.40 7.72 3hs7B1 ASP 158 HA 0.06 0.22 0.46 -0.75 4.63 4.61 3hs7B1 ASP 158 HB2 0.12 0.07 0.13 -0.04 2.71 2.99 3hs7B1 ASP 158 HB3 0.09 -0.02 0.04 -0.04 2.70 2.77 3hs7B1 CYS 159 H 0.04 0.23 -0.53 -0.55 8.50 7.69 3hs7B1 CYS 159 HA -0.05 -0.03 0.40 -0.75 4.58 4.14 3hs7B1 CYS 159 HB2 -0.01 0.20 -0.01 -0.04 2.97 3.12 3hs7B1 CYS 159 HB3 -0.05 0.12 0.09 -0.04 2.97 3.09 3hs7B1 PRO 160 HA -0.05 0.06 0.44 -0.51 4.44 4.39 3hs7B1 PRO 160 HB2 -0.08 0.00 -0.02 -0.04 2.28 2.15 3hs7B1 PRO 160 HB3 -0.11 -0.04 0.12 -0.04 2.02 1.95 3hs7B1 PRO 160 HG2 -0.18 0.16 0.22 -0.04 2.03 2.19 3hs7B1 PRO 160 HG3 -0.40 -0.06 0.10 -0.04 2.03 1.63 3hs7B1 PRO 160 HD2 -0.35 0.06 0.21 -0.04 3.68 3.56 3hs7B1 PRO 160 HD3 -0.77 0.09 0.20 -0.04 3.65 3.13 3hs7B1 THR 161 H -0.06 0.49 -0.05 -0.55 8.28 8.12 3hs7B1 THR 161 HA -0.01 0.27 0.77 -0.75 4.39 4.67 3hs7B1 THR 161 HB 0.01 0.11 -0.21 -0.04 4.32 4.19 3hs7B1 THR 161 HG23 -0.01 0.00 -0.56 -0.04 1.22 0.61 3hs7B1 PRO 162 HA 0.02 0.13 0.31 -0.51 4.44 4.39 3hs7B1 PRO 162 HB2 0.04 -0.03 -0.03 -0.04 2.28 2.22 3hs7B1 PRO 162 HB3 0.03 0.01 0.08 -0.04 2.02 2.10 3hs7B1 PRO 162 HG2 0.01 -0.19 -0.05 -0.04 2.03 1.76 3hs7B1 PRO 162 HG3 0.01 0.09 0.10 -0.04 2.03 2.18 3hs7B1 PRO 162 HD2 0.02 0.17 -0.01 -0.04 3.68 3.81 3hs7B1 PRO 162 HD3 0.01 0.38 0.12 -0.04 3.65 4.11 3hs7B1 MET 163 H 0.03 0.13 -0.37 -0.55 8.47 7.72 3hs7B1 MET 163 HA 0.05 0.24 0.72 -0.75 4.52 4.78 3hs7B1 MET 163 HB2 0.06 0.08 0.03 -0.04 2.15 2.27 3hs7B1 MET 163 HB3 0.05 -0.06 0.17 -0.04 2.03 2.15 3hs7B1 MET 163 HG2 0.10 -0.03 -0.10 -0.04 2.63 2.56 3hs7B1 MET 163 HG3 0.12 -0.05 0.02 -0.04 2.56 2.60 3hs7B1 MET 163 HE3 0.16 -0.03 -0.26 -0.04 2.10 1.94 3hs7B1 GLY 164 H -0.00 0.72 -0.28 -0.55 8.43 8.32 3hs7B1 GLY 164 HA2 -0.03 -0.05 0.31 -0.51 4.01 3.73 3hs7B1 GLY 164 HA3 -0.02 0.19 0.49 -0.51 4.01 4.17 3hs7B1 VAL 165 H -0.01 0.12 -0.04 -0.55 8.24 7.76 3hs7B1 VAL 165 HA -0.06 0.28 0.92 -0.75 4.13 4.51 3hs7B1 VAL 165 HB -0.01 -0.00 0.02 -0.04 2.12 2.09 3hs7B1 VAL 165 HG13 -0.03 -0.00 -0.21 -0.04 0.97 0.69 3hs7B1 VAL 165 HG23 0.01 0.00 -0.09 -0.04 0.95 0.83 3hs7B1 LYS 166 H 0.00 -0.01 -0.03 -0.55 8.42 7.83 3hs7B1 LYS 166 HA 0.02 0.12 0.52 -0.75 4.32 4.22 3hs7B1 LYS 166 HB2 0.02 0.05 -0.04 -0.04 1.87 1.86 3hs7B1 LYS 166 HB3 0.03 -0.08 -0.07 -0.04 1.79 1.63 3hs7B1 LYS 166 HG2 0.02 -0.01 -0.03 -0.04 1.46 1.39 3hs7B1 LYS 166 HG3 0.01 -0.02 -0.08 -0.04 1.46 1.33 3hs7B1 LYS 166 HD2 0.00 0.10 -0.03 -0.04 1.69 1.72 3hs7B1 LYS 166 HD3 0.01 -0.11 -0.06 -0.04 1.68 1.48 3hs7B1 LYS 166 HE2 0.00 -0.05 -0.03 -0.04 2.99 2.88 3hs7B1 LYS 166 HE3 0.00 0.03 -0.03 -0.04 2.99 2.95 3hs7B1 GLY 167 H 0.04 0.02 0.08 -0.55 8.43 8.01 3hs7B1 GLY 167 HA2 0.06 -0.03 0.31 -0.51 4.01 3.84 3hs7B1 GLY 167 HA3 0.06 0.14 0.52 -0.51 4.01 4.22 3hs7B1 ASN 168 H 0.03 0.12 0.10 -0.55 8.53 8.24 3hs7B1 ASN 168 HA 0.01 0.09 0.54 -0.75 4.76 4.64 3hs7B1 ASN 168 HB2 -0.01 0.26 0.12 -0.04 2.88 3.21 3hs7B1 ASN 168 HB3 -0.00 -0.13 0.16 -0.04 2.79 2.78 3hs7B1 ASN 168 HD21 -0.00 -0.02 -0.05 -0.04 7.03 6.91 3hs7B1 ASN 168 HD22 -0.02 0.10 0.01 -0.04 7.74 7.79 3hs7B1 LYS 169 H 0.00 0.06 0.15 -0.55 8.42 8.07 3hs7B1 LYS 169 HA -0.00 0.25 0.50 -0.75 4.32 4.31 3hs7B1 LYS 169 HB2 -0.00 -0.11 0.13 -0.04 1.87 1.85 3hs7B1 LYS 169 HB3 -0.00 0.03 0.06 -0.04 1.79 1.84 3hs7B1 GLU 170 H -0.01 0.03 -0.21 -0.55 8.60 7.87 3hs7B1 GLU 170 HA -0.01 0.20 0.86 -0.75 4.29 4.59 3hs7B1 GLU 170 HB2 -0.02 -0.09 -0.00 -0.04 2.09 1.94 3hs7B1 GLU 170 HB3 -0.02 0.10 0.00 -0.04 1.99 2.04 3hs7B1 GLU 170 HG2 -0.01 0.03 0.01 -0.04 2.34 2.34 3hs7B1 GLU 170 HG3 -0.00 0.05 -0.40 -0.04 2.34 1.95 3hs7B1 LEU 171 H -0.02 0.11 0.10 -0.55 8.37 8.02 3hs7B1 LEU 171 HA -0.09 0.15 0.66 -0.75 4.35 4.31 3hs7B1 LEU 171 HB2 -0.02 -0.05 0.08 -0.04 1.64 1.60 3hs7B1 LEU 171 HB3 -0.08 0.04 0.06 -0.04 1.64 1.62 3hs7B1 LEU 171 HG 0.02 -0.00 -0.01 -0.04 1.64 1.61 3hs7B1 LEU 171 HD13 0.07 -0.00 -0.02 -0.04 0.93 0.93 3hs7B1 LEU 171 HD23 0.10 -0.00 0.03 -0.04 0.89 0.98 3hs7B1 PRO 172 HA -0.13 0.03 0.46 -0.51 4.44 4.29 3hs7B1 PRO 172 HB2 -0.22 -0.02 -0.09 -0.04 2.28 1.91 3hs7B1 PRO 172 HB3 -0.27 0.13 0.10 -0.04 2.02 1.94 3hs7B1 PRO 172 HG2 -0.69 -0.06 -0.01 -0.04 2.03 1.23 3hs7B1 PRO 172 HG3 -1.42 -0.01 -0.15 -0.04 2.03 0.42 3hs7B1 PRO 172 HD2 -0.48 0.05 0.21 -0.04 3.68 3.42 3hs7B1 PRO 172 HD3 -0.42 0.33 0.18 -0.04 3.65 3.70 3hs7B1 ASP 173 H -0.07 0.12 0.16 -0.55 8.40 8.07 3hs7B1 ASP 173 HA -0.03 0.10 0.47 -0.75 4.63 4.42 3hs7B1 ASP 173 HB2 -0.03 0.13 0.18 -0.04 2.71 2.95 3hs7B1 ASP 173 HB3 -0.03 -0.08 0.14 -0.04 2.70 2.69 3hs7B1 SER 174 H -0.01 0.20 0.21 -0.55 8.46 8.32 3hs7B1 SER 174 HA 0.02 0.13 0.38 -0.75 4.49 4.27 3hs7B1 SER 174 HB2 0.03 0.02 0.08 -0.04 3.95 4.03 3hs7B1 SER 174 HB3 0.01 0.11 0.09 -0.04 3.93 4.11 3hs7B1 LYS 175 H -0.00 0.10 -0.14 -0.55 8.42 7.82 3hs7B1 LYS 175 HA 0.01 0.09 0.45 -0.75 4.32 4.12 3hs7B1 LYS 175 HB2 -0.00 0.02 0.08 -0.04 1.87 1.92 3hs7B1 LYS 175 HB3 -0.00 0.01 -0.01 -0.04 1.79 1.74 3hs7B1 LYS 175 HG2 -0.00 0.01 -0.07 -0.04 1.46 1.36 3hs7B1 LYS 175 HG3 0.00 0.01 0.03 -0.04 1.46 1.46 3hs7B1 LYS 175 HD2 -0.00 0.02 -0.02 -0.04 1.69 1.65 3hs7B1 LYS 175 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.62 3hs7B1 GLU 176 H -0.01 0.20 -0.42 -0.55 8.60 7.82 3hs7B1 GLU 176 HA -0.01 0.08 0.39 -0.75 4.29 3.99 3hs7B1 GLU 176 HB2 -0.03 -0.09 0.09 -0.04 2.09 2.02 3hs7B1 GLU 176 HB3 -0.03 0.10 -0.02 -0.04 1.99 2.00 3hs7B1 GLU 176 HG2 -0.03 0.05 -0.01 -0.04 2.34 2.31 3hs7B1 GLU 176 HG3 -0.02 0.00 0.02 -0.04 2.34 2.30 3hs7B1 VAL 177 H 0.01 0.40 -0.13 -0.55 8.24 7.96 3hs7B1 VAL 177 HA 0.05 0.06 0.40 -0.75 4.13 3.89 3hs7B1 VAL 177 HB 0.07 0.08 0.08 -0.04 2.12 2.31 3hs7B1 VAL 177 HG13 0.16 -0.01 -0.12 -0.04 0.97 0.96 3hs7B1 VAL 177 HG23 0.05 0.05 -0.07 -0.04 0.95 0.93 3hs7B1 LEU 178 H 0.03 0.48 -0.23 -0.55 8.37 8.11 3hs7B1 LEU 178 HA 0.05 0.02 0.37 -0.75 4.35 4.03 3hs7B1 LEU 178 HB2 0.05 0.01 0.04 -0.04 1.64 1.71 3hs7B1 LEU 178 HB3 0.03 0.07 0.17 -0.04 1.64 1.86 3hs7B1 LEU 178 HG 0.02 -0.00 -0.32 -0.04 1.64 1.31 3hs7B1 LEU 178 HD13 0.05 -0.02 -0.08 -0.04 0.93 0.84 3hs7B1 LEU 178 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 3hs7B1 GLU 179 H 0.01 0.48 -0.17 -0.55 8.60 8.38 3hs7B1 GLU 179 HA 0.01 0.02 0.35 -0.75 4.29 3.90 3hs7B1 GLU 179 HB2 0.00 0.05 0.14 -0.04 2.09 2.24 3hs7B1 GLU 179 HB3 -0.00 -0.01 0.00 -0.04 1.99 1.94 3hs7B1 GLU 179 HG2 0.00 -0.04 0.02 -0.04 2.34 2.28 3hs7B1 GLU 179 HG3 0.00 0.14 0.11 -0.04 2.34 2.55 3hs7B1 LYS 180 H 0.01 0.38 -0.23 -0.55 8.42 8.03 3hs7B1 LYS 180 HA -0.01 0.08 0.41 -0.75 4.32 4.05 3hs7B1 LYS 180 HB2 0.00 0.13 0.13 -0.04 1.87 2.09 3hs7B1 LYS 180 HB3 -0.01 -0.06 -0.04 -0.04 1.79 1.64 3hs7B1 LYS 180 HG2 -0.01 -0.03 0.01 -0.04 1.46 1.38 3hs7B1 LYS 180 HG3 -0.01 -0.05 0.01 -0.04 1.46 1.37 3hs7B1 LYS 180 HD2 -0.02 -0.02 -0.04 -0.04 1.69 1.57 3hs7B1 LYS 180 HD3 -0.02 0.01 -0.06 -0.04 1.68 1.57 3hs7B1 LYS 180 HE2 -0.02 0.00 -0.03 -0.04 2.99 2.90 3hs7B1 LYS 180 HE3 -0.02 -0.03 -0.00 -0.04 2.99 2.90 3hs7B1 VAL 181 H 0.01 0.32 -0.08 -0.55 8.24 7.93 3hs7B1 VAL 181 HA -0.01 0.27 1.01 -0.75 4.13 4.64 3hs7B1 VAL 181 HB -0.02 -0.02 0.09 -0.04 2.12 2.13 3hs7B1 VAL 181 HG13 -0.02 -0.03 -0.18 -0.04 0.97 0.70 3hs7B1 VAL 181 HG23 0.01 0.02 -0.05 -0.04 0.95 0.89 3hs7B1 LEU 182 H 0.01 0.28 0.04 -0.55 8.37 8.15 3hs7B1 LEU 182 HA -0.01 0.12 1.04 -0.75 4.35 4.75 3hs7B1 LEU 182 HB2 0.03 0.09 0.23 -0.04 1.64 1.95 3hs7B1 LEU 182 HB3 0.04 -0.06 0.00 -0.04 1.64 1.58 3hs7B1 LEU 182 HG 0.01 0.04 -0.18 -0.04 1.64 1.47 3hs7B1 LEU 182 HD13 0.06 -0.04 -0.10 -0.04 0.93 0.82 3hs7B1 LEU 182 HD23 -0.06 0.04 -0.10 -0.04 0.89 0.73 3hs7B1 LEU 183 H 0.01 0.43 0.17 -0.55 8.37 8.43 3hs7B1 LEU 183 HA 0.02 0.09 0.32 -0.75 4.35 4.02 3hs7B1 LEU 183 HB2 0.01 0.10 0.09 -0.04 1.64 1.80 3hs7B1 LEU 183 HB3 0.00 0.03 -0.04 -0.04 1.64 1.60 3hs7B1 LEU 183 HG 0.01 0.02 -0.18 -0.04 1.64 1.45 3hs7B1 LEU 183 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 3hs7B1 LEU 183 HD23 0.01 -0.03 -0.10 -0.04 0.89 0.72 3hs7B1 ARG 184 H 0.02 0.34 0.06 -0.55 8.46 8.33 3hs7B1 ARG 184 HA 0.01 0.31 -0.14 -0.75 4.34 3.77 3hs7B1 ARG 184 HB2 0.05 -0.04 -0.70 -0.04 1.90 1.17 3hs7B1 ARG 184 HB3 0.04 -0.20 -0.14 -0.04 1.80 1.46 3hs7B1 ARG 184 HG2 0.07 0.05 -0.71 -0.04 1.67 1.04 3hs7B1 ARG 184 HG3 0.06 0.17 -0.17 -0.04 1.67 1.69 3hs7B1 ARG 184 HD2 0.10 -0.18 -0.21 -0.04 3.22 2.89 3hs7B1 ARG 184 HD3 0.22 -0.12 -0.20 -0.04 3.22 3.08 3hs7B1 ARG 185 H 0.01 0.35 0.04 -0.55 8.46 8.30 3hs7B1 ARG 185 HA 0.01 0.17 1.09 -0.75 4.34 4.86 3hs7B1 ARG 185 HB2 -0.00 0.07 0.20 -0.04 1.90 2.13 3hs7B1 ARG 185 HB3 0.00 -0.08 0.12 -0.04 1.80 1.81 3hs7B1 ARG 185 HG2 -0.00 -0.07 -0.01 -0.04 1.67 1.54 3hs7B1 ARG 185 HG3 0.00 0.00 -0.07 -0.04 1.67 1.57 3hs7B1 ARG 185 HD2 0.00 0.15 -0.42 -0.04 3.22 2.91 3hs7B1 ARG 185 HD3 -0.01 0.02 -0.06 -0.04 3.22 3.14 3hs7B1 GLU 186 H 0.01 0.12 0.16 -0.55 8.60 8.34 3hs7B1 GLU 186 HA 0.05 0.05 0.79 -0.75 4.29 4.43 3hs7B1 GLU 186 HB2 0.01 -0.07 0.12 -0.04 2.09 2.11 3hs7B1 GLU 186 HB3 0.00 0.08 0.03 -0.04 1.99 2.06 3hs7B1 PHE 187 H 0.18 0.03 0.12 -0.55 8.34 8.12 3hs7B1 PHE 187 HA -0.02 0.08 0.39 -0.75 4.62 4.32 3hs7B1 PHE 187 HB2 -0.02 -0.06 0.09 -0.04 3.15 3.12 3hs7B1 PHE 187 HB3 -0.02 -0.06 0.14 -0.04 3.06 3.08 3hs7B1 PHE 187 HD2 -0.02 -0.01 -0.05 -0.04 7.28 7.16 3hs7B1 PHE 187 HE2 -0.03 0.06 -0.15 -0.04 7.38 7.22 3hs7B1 PHE 187 HZ -0.04 0.15 -0.49 -0.04 7.32 6.90 3hs7B1 ILE 188 H -0.41 0.22 0.17 -0.55 8.25 7.68 3hs7B1 ILE 188 HA -0.34 0.16 0.94 -0.75 4.18 4.19 3hs7B1 ILE 188 HB -0.21 0.06 0.21 -0.04 1.89 1.90 3hs7B1 ILE 188 HG12 -0.12 -0.08 -0.02 -0.04 1.49 1.23 3hs7B1 ILE 188 HG13 -0.12 0.04 -0.24 -0.04 1.21 0.85 3hs7B1 ILE 188 HG23 -0.18 0.00 -0.05 -0.04 0.93 0.66 3hs7B1 ILE 188 HD13 -0.08 0.02 0.01 -0.04 0.88 0.79 3hs7B1 PRO 189 HA -0.50 0.22 0.46 -0.51 4.44 4.11 3hs7B1 PRO 189 HB2 -0.08 0.08 -0.10 -0.04 2.28 2.14 3hs7B1 PRO 189 HB3 0.00 -0.03 0.02 -0.04 2.02 1.97 3hs7B1 PRO 189 HG2 -0.14 0.02 -0.01 -0.04 2.03 1.86 3hs7B1 PRO 189 HG3 -0.07 -0.02 0.02 -0.04 2.03 1.93 3hs7B1 PRO 189 HD2 -0.24 0.08 0.24 -0.04 3.68 3.71 3hs7B1 PRO 189 HD3 -0.34 0.18 0.03 -0.04 3.65 3.47 3hs7B1 ASP 190 H -0.11 0.75 0.21 -0.55 8.40 8.70 3hs7B1 ASP 190 HA -0.19 0.15 0.53 -0.75 4.63 4.37 3hs7B1 ASP 190 HB2 -0.18 0.22 -0.31 -0.04 2.71 2.41 3hs7B1 ASP 190 HB3 -0.11 0.06 0.09 -0.04 2.70 2.69 3hs7B1 PRO 191 HA -0.09 0.06 0.36 -0.51 4.44 4.27 3hs7B1 PRO 191 HB2 -0.10 0.11 -0.01 -0.04 2.28 2.25 3hs7B1 PRO 191 HB3 -0.09 -0.02 0.07 -0.04 2.02 1.94 3hs7B1 PRO 191 HG2 -0.16 0.09 -0.44 -0.04 2.03 1.48 3hs7B1 PRO 191 HG3 -0.12 0.03 -0.11 -0.04 2.03 1.78 3hs7B1 PRO 191 HD2 -0.20 0.01 0.12 -0.04 3.68 3.57 3hs7B1 PRO 191 HD3 -0.16 0.34 0.20 -0.04 3.65 3.99 3hs7B1 GLN 192 H -0.19 0.00 -0.30 -0.55 8.47 7.44 3hs7B1 GLN 192 HA -0.14 0.20 0.64 -0.75 4.36 4.30 3hs7B1 GLN 192 HB2 -0.33 -0.15 0.06 -0.04 2.15 1.69 3hs7B1 GLN 192 HB3 -0.38 0.07 0.08 -0.04 2.02 1.75 3hs7B1 GLN 192 HG2 -0.21 0.16 0.13 -0.04 2.40 2.44 3hs7B1 GLN 192 HG3 -0.25 -0.08 0.17 -0.04 2.39 2.19 3hs7B1 GLN 192 HE21 -0.48 0.33 0.15 -0.04 6.97 6.94 3hs7B1 GLN 192 HE22 -0.59 -0.04 0.07 -0.04 7.69 7.09 3hs7B1 GLY 193 H -0.10 0.31 -0.33 -0.55 8.43 7.76 3hs7B1 GLY 193 HA2 -0.02 0.09 0.27 -0.51 4.01 3.84 3hs7B1 GLY 193 HA3 -0.00 0.11 0.45 -0.51 4.01 4.06 3hs7B1 SER 194 H -0.08 -0.03 -0.11 -0.55 8.46 7.69 3hs7B1 SER 194 HA -0.15 0.29 0.56 -0.75 4.49 4.44 3hs7B1 SER 194 HB2 -0.15 -0.03 0.11 -0.04 3.95 3.84 3hs7B1 SER 194 HB3 -0.37 -0.01 0.10 -0.04 3.93 3.61 3hs7B1 ASN 195 H 0.05 0.43 0.30 -0.55 8.53 8.76 3hs7B1 ASN 195 HA 0.08 0.27 0.97 -0.75 4.76 5.33 3hs7B1 ASN 195 HB2 0.13 0.16 0.18 -0.04 2.88 3.32 3hs7B1 ASN 195 HB3 0.08 0.09 -0.20 -0.04 2.79 2.72 3hs7B1 ASN 195 HD21 0.09 0.45 0.03 -0.04 7.03 7.55 3hs7B1 ASN 195 HD22 0.08 0.51 -0.08 -0.04 7.74 8.21 3hs7B1 MET 196 H 0.14 0.66 0.33 -0.55 8.47 9.05 3hs7B1 MET 196 HA -0.05 0.04 0.60 -0.75 4.52 4.37 3hs7B1 MET 196 HB2 0.15 0.12 0.27 -0.04 2.15 2.65 3hs7B1 MET 196 HB3 -0.44 -0.12 0.08 -0.04 2.03 1.51 3hs7B1 MET 196 HG2 0.02 0.20 -0.11 -0.04 2.63 2.70 3hs7B1 MET 196 HG3 0.03 -0.07 0.04 -0.04 2.56 2.52 3hs7B1 MET 196 HE3 -0.01 0.09 -0.20 -0.04 2.10 1.93 3hs7B1 MET 197 H 0.27 0.38 -0.15 -0.55 8.47 8.43 3hs7B1 MET 197 HA 0.47 0.04 0.44 -0.75 4.52 4.72 3hs7B1 MET 197 HB2 0.27 0.09 -0.05 -0.04 2.15 2.42 3hs7B1 MET 197 HB3 0.37 0.10 -0.04 -0.04 2.03 2.43 3hs7B1 MET 197 HG2 0.15 0.05 -0.02 -0.04 2.63 2.77 3hs7B1 MET 197 HG3 0.42 -0.06 -0.04 -0.04 2.56 2.84 3hs7B1 MET 197 HE3 -0.03 -0.00 -0.06 -0.04 2.10 1.97 3hs7B1 PHE 198 H 0.47 0.19 -0.31 -0.55 8.34 8.13 3hs7B1 PHE 198 HA 0.09 0.03 0.49 -0.75 4.62 4.48 3hs7B1 PHE 198 HB2 0.08 0.02 0.22 -0.04 3.15 3.43 3hs7B1 PHE 198 HB3 0.08 0.23 0.20 -0.04 3.06 3.53 3hs7B1 PHE 198 HD2 -0.29 0.01 -0.06 -0.04 7.28 6.90 3hs7B1 PHE 198 HE2 -0.29 0.06 -0.02 -0.04 7.38 7.09 3hs7B1 PHE 198 HZ 0.02 0.01 -0.03 -0.04 7.32 7.28 3hs7B1 ALA 199 H 0.27 0.45 -0.08 -0.55 8.40 8.49 3hs7B1 ALA 199 HA 0.11 0.05 0.32 -0.75 4.34 4.07 3hs7B1 ALA 199 HB3 -0.11 0.04 0.06 -0.04 1.41 1.36 3hs7B1 PHE 200 H 0.12 0.62 -0.19 -0.55 8.34 8.33 3hs7B1 PHE 200 HA 0.06 0.00 0.43 -0.75 4.62 4.36 3hs7B1 PHE 200 HB2 0.29 0.16 0.07 -0.04 3.15 3.63 3hs7B1 PHE 200 HB3 0.28 0.01 -0.11 -0.04 3.06 3.20 3hs7B1 PHE 200 HD2 -0.22 0.07 -0.07 -0.04 7.28 7.02 3hs7B1 PHE 200 HE2 -0.63 0.01 -0.05 -0.04 7.38 6.67 3hs7B1 PHE 200 HZ -0.27 0.01 -0.05 -0.04 7.32 6.98 3hs7B1 PHE 201 H 0.42 0.43 -0.34 -0.55 8.34 8.30 3hs7B1 PHE 201 HA -0.63 -0.01 0.51 -0.75 4.62 3.74 3hs7B1 PHE 201 HB2 0.12 0.14 0.14 -0.04 3.15 3.51 3hs7B1 PHE 201 HB3 -0.12 0.09 0.17 -0.04 3.06 3.16 3hs7B1 PHE 201 HD2 -0.43 0.04 -0.16 -0.04 7.28 6.69 3hs7B1 PHE 201 HE2 -0.22 0.01 -0.08 -0.04 7.38 7.05 3hs7B1 PHE 201 HZ 0.00 0.03 -0.08 -0.04 7.32 7.23 3hs7B1 ALA 202 H 0.04 0.75 -0.06 -0.55 8.40 8.58 3hs7B1 ALA 202 HA 0.00 -0.03 0.38 -0.75 4.34 3.95 3hs7B1 ALA 202 HB3 0.12 0.06 0.08 -0.04 1.41 1.63 3hs7B1 GLN 203 H -0.02 0.41 -0.28 -0.55 8.47 8.04 3hs7B1 GLN 203 HA -0.25 0.04 0.31 -0.75 4.36 3.70 3hs7B1 GLN 203 HB2 -0.04 0.14 0.09 -0.04 2.15 2.30 3hs7B1 GLN 203 HB3 -0.03 0.01 0.06 -0.04 2.02 2.02 3hs7B1 GLN 203 HG2 -0.63 -0.02 -0.07 -0.04 2.40 1.63 3hs7B1 GLN 203 HG3 -0.21 0.01 -0.02 -0.04 2.39 2.13 3hs7B1 GLN 203 HE21 0.05 -0.06 -0.07 -0.04 6.97 6.86 3hs7B1 GLN 203 HE22 -0.12 0.01 -0.06 -0.04 7.69 7.48 3hs7B1 HIS 204 H -0.09 0.69 -0.10 -0.55 8.41 8.36 3hs7B1 HIS 204 HA -0.50 -0.03 0.38 -0.75 4.63 3.72 3hs7B1 HIS 204 HB2 -0.20 0.01 0.14 -0.04 3.26 3.17 3hs7B1 HIS 204 HB3 -0.41 0.06 0.19 -0.04 3.20 3.00 3hs7B1 HIS 204 HD2 -0.10 0.02 -0.19 -0.04 6.97 6.65 3hs7B1 HIS 204 HE1 0.18 0.00 -0.15 -0.04 7.75 7.73 3hs7B1 PHE 205 H -0.34 0.83 -0.00 -0.55 8.34 8.28 3hs7B1 PHE 205 HA -0.60 -0.04 0.34 -0.75 4.62 3.57 3hs7B1 PHE 205 HB2 -0.93 -0.05 0.05 -0.04 3.15 2.18 3hs7B1 PHE 205 HB3 -0.70 0.17 0.08 -0.04 3.06 2.57 3hs7B1 PHE 205 HD2 -0.38 0.00 -0.06 -0.04 7.28 6.81 3hs7B1 PHE 205 HE2 0.04 -0.00 -0.11 -0.04 7.38 7.27 3hs7B1 PHE 205 HZ 0.11 0.03 -0.13 -0.04 7.32 7.30 3hs7B1 THR 206 H -0.55 0.63 -0.15 -0.55 8.28 7.66 3hs7B1 THR 206 HA -2.32 0.03 0.39 -0.75 4.39 1.73 3hs7B1 THR 206 HB -0.94 -0.08 0.06 -0.04 4.32 3.32 3hs7B1 THR 206 HG23 -0.97 0.02 0.02 -0.04 1.22 0.25 3hs7B1 HIS 207 H -0.39 0.44 -0.41 -0.55 8.41 7.50 3hs7B1 HIS 207 HA -0.35 0.13 0.59 -0.75 4.63 4.24 3hs7B1 HIS 207 HB2 0.02 0.18 0.14 -0.04 3.26 3.56 3hs7B1 HIS 207 HB3 0.06 -0.14 0.15 -0.04 3.20 3.22 3hs7B1 HIS 207 HD2 -0.22 -0.08 -0.15 -0.04 6.97 6.48 3hs7B1 HIS 207 HE1 0.01 -0.07 -0.03 -0.04 7.75 7.62 3hs7B1 GLN 208 H -1.01 0.35 -0.53 -0.55 8.47 6.74 3hs7B1 GLN 208 HA -0.40 0.08 0.76 -0.75 4.36 4.05 3hs7B1 GLN 208 HB2 -0.42 -0.30 0.12 -0.04 2.15 1.51 3hs7B1 GLN 208 HB3 -1.41 0.06 0.07 -0.04 2.02 0.69 3hs7B1 GLN 208 HG2 -1.20 0.27 0.07 -0.04 2.40 1.50 3hs7B1 GLN 208 HG3 -0.34 0.12 -0.18 -0.04 2.39 1.95 3hs7B1 GLN 208 HE21 -0.11 -0.05 0.01 -0.04 6.97 6.78 3hs7B1 GLN 208 HE22 -0.95 0.51 0.13 -0.04 7.69 7.35 3hs7B1 PHE 209 H -1.36 0.31 -0.11 -0.55 8.34 6.63 3hs7B1 PHE 209 HA -0.31 0.15 0.97 -0.75 4.62 4.68 3hs7B1 PHE 209 HB2 -0.35 -0.01 0.02 -0.04 3.15 2.77 3hs7B1 PHE 209 HB3 -0.33 0.01 -0.04 -0.04 3.06 2.65 3hs7B1 PHE 209 HD2 -1.24 0.00 -0.27 -0.04 7.28 5.73 3hs7B1 PHE 209 HE2 -1.31 -0.01 -0.11 -0.04 7.38 5.91 3hs7B1 PHE 209 HZ -0.91 -0.01 -0.13 -0.04 7.32 6.23 3hs7B1 PHE 210 H -0.61 0.50 0.13 -0.55 8.34 7.80 3hs7B1 PHE 210 HA 0.04 0.14 0.88 -0.75 4.62 4.93 3hs7B1 PHE 210 HB2 -0.43 0.02 0.11 -0.04 3.15 2.82 3hs7B1 PHE 210 HB3 -0.23 -0.04 0.04 -0.04 3.06 2.79 3hs7B1 PHE 210 HD2 -0.23 0.04 -0.07 -0.04 7.28 6.98 3hs7B1 PHE 210 HE2 -0.64 -0.00 -0.12 -0.04 7.38 6.58 3hs7B1 PHE 210 HZ -1.68 0.01 -0.29 -0.04 7.32 5.33 3hs7B1 LYS 211 H 0.10 0.22 -0.20 -0.55 8.42 7.98 3hs7B1 LYS 211 HA -0.10 0.21 0.75 -0.75 4.32 4.43 3hs7B1 LYS 211 HB2 -0.14 -0.17 -0.01 -0.04 1.87 1.51 3hs7B1 LYS 211 HB3 -0.12 -0.01 0.05 -0.04 1.79 1.67 3hs7B1 LYS 211 HG2 -0.17 0.02 -0.09 -0.04 1.46 1.18 3hs7B1 LYS 211 HG3 -0.20 0.04 -0.78 -0.04 1.46 0.47 3hs7B1 LYS 211 HD2 -0.21 0.09 -0.14 -0.04 1.69 1.39 3hs7B1 LYS 211 HD3 -0.18 -0.04 -0.20 -0.04 1.68 1.22 3hs7B1 LYS 211 HE2 -0.13 -0.09 -0.20 -0.04 2.99 2.53 3hs7B1 LYS 211 HE3 -0.16 -0.02 -0.06 -0.04 2.99 2.71 3hs7B1 THR 212 H -0.00 0.16 -0.08 -0.55 8.28 7.81 3hs7B1 THR 212 HA 0.01 0.28 0.45 -0.75 4.39 4.38 3hs7B1 THR 212 HB -0.32 -0.08 0.05 -0.04 4.32 3.94 3hs7B1 THR 212 HG23 -0.21 0.04 -0.09 -0.04 1.22 0.92 3hs7B1 ASP 213 H -0.09 0.74 0.09 -0.55 8.40 8.59 3hs7B1 ASP 213 HA -0.08 0.07 0.60 -0.75 4.63 4.47 3hs7B1 ASP 213 HB2 -0.09 0.08 -0.28 -0.04 2.71 2.38 3hs7B1 ASP 213 HB3 -0.05 0.02 0.06 -0.04 2.70 2.69 3hs7B1 HIS 214 H 0.02 0.32 0.07 -0.55 8.41 8.27 3hs7B1 HIS 214 HA 0.01 0.07 0.08 -0.75 4.63 4.04 3hs7B1 HIS 214 HB2 -0.01 -0.00 0.04 -0.04 3.26 3.25 3hs7B1 HIS 214 HB3 -0.00 0.03 -0.02 -0.04 3.20 3.16 3hs7B1 HIS 214 HD2 0.01 -0.01 -0.09 -0.04 6.97 6.85 3hs7B1 HIS 214 HE1 -0.01 -0.01 -0.03 -0.04 7.75 7.66 3hs7B1 LYS 215 H 0.01 0.05 -0.23 -0.55 8.42 7.71 3hs7B1 LYS 215 HA -0.00 0.10 0.52 -0.75 4.32 4.18 3hs7B1 ARG 216 H -0.09 0.31 -0.33 -0.55 8.46 7.80 3hs7B1 ARG 216 HA -0.26 0.11 0.62 -0.75 4.34 4.05 3hs7B1 ARG 216 HB2 -0.27 -0.11 0.04 -0.04 1.90 1.51 3hs7B1 ARG 216 HB3 -0.51 0.07 0.03 -0.04 1.80 1.35 3hs7B1 ARG 216 HG2 -1.60 -0.01 -0.04 -0.04 1.67 -0.02 3hs7B1 ARG 216 HG3 -0.49 -0.00 -0.00 -0.04 1.67 1.13 3hs7B1 ARG 216 HD2 -0.28 -0.04 -0.04 -0.04 3.22 2.82 3hs7B1 ARG 216 HD3 -0.48 0.04 -0.03 -0.04 3.22 2.71 3hs7B1 GLY 217 H -0.02 0.54 0.15 -0.55 8.43 8.54 3hs7B1 GLY 217 HA2 0.08 0.08 0.29 -0.51 4.01 3.95 3hs7B1 GLY 217 HA3 0.20 0.13 0.59 -0.51 4.01 4.43 3hs7B1 PRO 218 HA -0.01 0.06 0.40 -0.51 4.44 4.38 3hs7B1 PRO 218 HB2 -0.02 0.08 -0.04 -0.04 2.28 2.25 3hs7B1 PRO 218 HB3 0.01 -0.01 0.09 -0.04 2.02 2.07 3hs7B1 PRO 218 HG2 0.04 0.07 0.05 -0.04 2.03 2.15 3hs7B1 PRO 218 HG3 0.02 0.05 0.08 -0.04 2.03 2.14 3hs7B1 PRO 218 HD2 0.10 0.17 0.21 -0.04 3.68 4.12 3hs7B1 PRO 218 HD3 0.07 0.13 0.13 -0.04 3.65 3.94 3hs7B1 GLY 219 H 0.09 0.12 -0.26 -0.55 8.43 7.84 3hs7B1 GLY 219 HA2 0.11 0.12 0.58 -0.51 4.01 4.30 3hs7B1 GLY 219 HA3 -0.11 -0.00 0.32 -0.51 4.01 3.71 3hs7B1 PHE 220 H 0.18 0.33 -0.49 -0.55 8.34 7.81 3hs7B1 PHE 220 HA -0.21 0.26 1.05 -0.75 4.62 4.96 3hs7B1 PHE 220 HB2 -0.15 0.10 0.09 -0.04 3.15 3.15 3hs7B1 PHE 220 HB3 -0.21 0.06 0.04 -0.04 3.06 2.91 3hs7B1 PHE 220 HD2 -0.27 -0.00 -0.27 -0.04 7.28 6.69 3hs7B1 PHE 220 HE2 -0.51 -0.01 -0.12 -0.04 7.38 6.70 3hs7B1 PHE 220 HZ -0.09 -0.02 -0.08 -0.04 7.32 7.09 3hs7B1 THR 221 H -0.27 0.82 0.23 -0.55 8.28 8.52 3hs7B1 THR 221 HA -0.32 0.09 0.86 -0.75 4.39 4.27 3hs7B1 THR 221 HB -1.83 0.01 -0.18 -0.04 4.32 2.28 3hs7B1 THR 221 HG23 -0.49 0.03 -0.32 -0.04 1.22 0.40 3hs7B1 ARG 222 H -0.18 0.50 0.20 -0.55 8.46 8.42 3hs7B1 ARG 222 HA -0.13 0.19 0.87 -0.75 4.34 4.51 3hs7B1 ARG 222 HB2 -0.11 0.06 0.05 -0.04 1.90 1.86 3hs7B1 ARG 222 HB3 -0.10 -0.07 0.13 -0.04 1.80 1.72 3hs7B1 ARG 222 HG2 -0.09 0.03 -0.09 -0.04 1.67 1.47 3hs7B1 ARG 222 HG3 -0.09 0.08 -0.20 -0.04 1.67 1.42 3hs7B1 ARG 222 HD2 -0.05 -0.07 -0.03 -0.04 3.22 3.03 3hs7B1 ARG 222 HD3 -0.07 -0.00 -0.02 -0.04 3.22 3.09 3hs7B1 GLY 223 H -0.24 0.06 -0.05 -0.55 8.43 7.66 3hs7B1 GLY 223 HA2 -0.16 0.10 0.75 -0.51 4.01 4.19 3hs7B1 GLY 223 HA3 -0.21 0.10 0.37 -0.51 4.01 3.77 3hs7B1 LEU 224 H -0.13 0.30 0.01 -0.55 8.37 8.00 3hs7B1 LEU 224 HA -0.18 0.26 0.26 -0.75 4.35 3.94 3hs7B1 LEU 224 HB2 -0.05 -0.02 0.02 -0.04 1.64 1.56 3hs7B1 LEU 224 HB3 -0.01 0.02 0.07 -0.04 1.64 1.68 3hs7B1 LEU 224 HG -0.08 0.07 -0.07 -0.04 1.64 1.51 3hs7B1 LEU 224 HD13 -0.04 -0.02 -0.01 -0.04 0.93 0.82 3hs7B1 LEU 224 HD23 -0.07 -0.02 -0.32 -0.04 0.89 0.44 3hs7B1 GLY 225 H -0.09 -0.02 -0.32 -0.55 8.43 7.46 3hs7B1 GLY 225 HA2 0.01 0.14 0.54 -0.51 4.01 4.19 3hs7B1 GLY 225 HA3 -0.02 -0.06 0.22 -0.51 4.01 3.65 3hs7B1 HIS 226 H -0.21 0.30 -0.28 -0.55 8.41 7.68 3hs7B1 HIS 226 HA -0.03 0.01 0.32 -0.75 4.63 4.18 3hs7B1 HIS 226 HB2 -0.05 0.18 -0.25 -0.04 3.26 3.10 3hs7B1 HIS 226 HB3 -0.05 -0.14 0.09 -0.04 3.20 3.06 3hs7B1 HIS 226 HD2 -0.08 0.18 -0.00 -0.04 6.97 7.02 3hs7B1 HIS 226 HE1 -0.09 0.17 0.12 -0.04 7.75 7.90 3hs7B1 GLY 227 H -0.02 0.08 -0.25 -0.55 8.43 7.70 3hs7B1 GLY 227 HA2 -0.20 0.04 0.21 -0.51 4.01 3.54 3hs7B1 GLY 227 HA3 -0.03 0.21 0.42 -0.51 4.01 4.09 3hs7B1 VAL 228 H 0.02 0.36 0.03 -0.55 8.24 8.10 3hs7B1 VAL 228 HA 0.04 -0.00 0.55 -0.75 4.13 3.97 3hs7B1 VAL 228 HB 0.09 0.10 0.21 -0.04 2.12 2.49 3hs7B1 VAL 228 HG13 0.13 -0.01 -0.01 -0.04 0.97 1.04 3hs7B1 VAL 228 HG23 0.21 0.02 -0.08 -0.04 0.95 1.07 3hs7B1 ASP 229 H -0.00 0.27 0.11 -0.55 8.40 8.23 3hs7B1 ASP 229 HA 0.05 0.29 0.87 -0.75 4.63 5.09 3hs7B1 ASP 229 HB2 0.03 0.05 0.08 -0.04 2.71 2.83 3hs7B1 ASP 229 HB3 0.02 0.10 -0.10 -0.04 2.70 2.68 3hs7B1 LEU 230 H 0.02 0.09 0.02 -0.55 8.37 7.95 3hs7B1 LEU 230 HA 0.22 0.01 0.30 -0.75 4.35 4.13 3hs7B1 LEU 230 HB2 0.32 0.26 0.09 -0.04 1.64 2.26 3hs7B1 LEU 230 HB3 -0.03 -0.09 0.19 -0.04 1.64 1.66 3hs7B1 LEU 230 HG 0.09 0.08 -0.33 -0.04 1.64 1.44 3hs7B1 LEU 230 HD13 -0.07 0.04 -0.21 -0.04 0.93 0.65 3hs7B1 LEU 230 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.75 3hs7B1 ASN 231 H 0.03 0.13 -0.20 -0.55 8.53 7.94 3hs7B1 ASN 231 HA 0.08 0.24 0.28 -0.75 4.76 4.60 3hs7B1 ASN 231 HB2 -0.03 -0.00 -0.29 -0.04 2.88 2.52 3hs7B1 ASN 231 HB3 -0.01 0.05 -0.02 -0.04 2.79 2.77 3hs7B1 ASN 231 HD21 -0.16 0.73 0.17 -0.04 7.03 7.73 3hs7B1 ASN 231 HD22 -0.08 -0.10 0.04 -0.04 7.74 7.56 3hs7B1 HIS 232 H 0.25 0.04 -0.43 -0.55 8.41 7.72 3hs7B1 HIS 232 HA -0.35 0.10 0.29 -0.75 4.63 3.92 3hs7B1 HIS 232 HB2 -0.44 0.01 -0.02 -0.04 3.26 2.77 3hs7B1 HIS 232 HB3 -0.33 0.06 -0.08 -0.04 3.20 2.81 3hs7B1 HIS 232 HD2 -0.88 0.09 -0.15 -0.04 6.97 5.98 3hs7B1 HIS 232 HE1 -0.36 0.01 -0.02 -0.04 7.75 7.34 3hs7B1 ILE 233 H -0.25 0.37 -0.36 -0.55 8.25 7.46 3hs7B1 ILE 233 HA -0.27 0.09 0.90 -0.75 4.18 4.15 3hs7B1 ILE 233 HB -0.74 0.12 0.14 -0.04 1.89 1.37 3hs7B1 ILE 233 HG12 -0.26 0.04 -0.06 -0.04 1.49 1.17 3hs7B1 ILE 233 HG13 -0.99 -0.15 -0.27 -0.04 1.21 -0.24 3hs7B1 ILE 233 HG23 -0.62 0.02 -0.13 -0.04 0.93 0.16 3hs7B1 ILE 233 HD13 -0.65 0.00 -0.05 -0.04 0.88 0.15 3hs7B1 TYR 234 H -0.08 0.46 0.18 -0.55 8.29 8.31 3hs7B1 TYR 234 HA 0.03 0.16 0.53 -0.75 4.56 4.53 3hs7B1 TYR 234 HB2 0.05 0.06 0.00 -0.04 3.06 3.14 3hs7B1 TYR 234 HB3 0.20 -0.03 0.08 -0.04 2.98 3.18 3hs7B1 TYR 234 HD2 0.11 0.07 0.00 -0.04 7.15 7.29 3hs7B1 TYR 234 HE2 -0.30 0.01 -0.02 -0.04 6.85 6.50 3hs7B1 GLY 235 H 0.00 0.23 -0.15 -0.55 8.43 7.98 3hs7B1 GLY 235 HA2 -0.03 0.22 0.44 -0.51 4.01 4.13 3hs7B1 GLY 235 HA3 0.02 0.08 0.69 -0.51 4.01 4.29 3hs7B1 GLU 236 H -0.04 0.14 0.20 -0.55 8.60 8.36 3hs7B1 GLU 236 HA -0.03 0.07 0.55 -0.75 4.29 4.13 3hs7B1 GLU 236 HB2 -0.08 0.02 0.13 -0.04 2.09 2.12 3hs7B1 GLU 236 HB3 -0.06 -0.05 0.19 -0.04 1.99 2.03 3hs7B1 GLU 236 HG2 -0.07 0.11 0.10 -0.04 2.34 2.44 3hs7B1 GLU 236 HG3 -0.05 -0.03 -0.11 -0.04 2.34 2.10 3hs7B1 THR 237 H -0.03 0.02 0.07 -0.55 8.28 7.79 3hs7B1 THR 237 HA -0.03 0.29 0.89 -0.75 4.39 4.78 3hs7B1 THR 237 HB -0.04 -0.09 0.15 -0.04 4.32 4.30 3hs7B1 THR 237 HG23 -0.04 0.04 -0.01 -0.04 1.22 1.17 3hs7B1 LEU 238 H -0.06 0.19 0.17 -0.55 8.37 8.12 3hs7B1 LEU 238 HA -0.12 0.19 0.47 -0.75 4.35 4.13 3hs7B1 LEU 238 HB2 -0.10 0.05 0.14 -0.04 1.64 1.69 3hs7B1 LEU 238 HB3 -0.16 -0.02 0.09 -0.04 1.64 1.51 3hs7B1 LEU 238 HG -0.72 -0.00 -0.05 -0.04 1.64 0.83 3hs7B1 LEU 238 HD13 -0.08 0.02 0.03 -0.04 0.93 0.86 3hs7B1 LEU 238 HD23 -0.09 0.01 -0.00 -0.04 0.89 0.77 3hs7B1 ASP 239 H -0.08 0.06 -0.07 -0.55 8.40 7.76 3hs7B1 ASP 239 HA -0.06 0.13 0.40 -0.75 4.63 4.34 3hs7B1 ASP 239 HB2 -0.01 0.10 0.04 -0.04 2.71 2.80 3hs7B1 ASP 239 HB3 -0.04 -0.00 0.09 -0.04 2.70 2.70 3hs7B1 ARG 240 H -0.03 -0.01 -0.35 -0.55 8.46 7.51 3hs7B1 ARG 240 HA 0.01 0.13 0.46 -0.75 4.34 4.19 3hs7B1 ARG 240 HB2 -0.02 -0.09 0.09 -0.04 1.90 1.85 3hs7B1 ARG 240 HB3 -0.01 0.02 0.12 -0.04 1.80 1.89 3hs7B1 ARG 240 HG2 -0.00 0.12 -0.16 -0.04 1.67 1.59 3hs7B1 ARG 240 HG3 -0.00 -0.01 0.01 -0.04 1.67 1.63 3hs7B1 ARG 240 HD2 -0.03 -0.08 0.07 -0.04 3.22 3.14 3hs7B1 ARG 240 HD3 -0.03 -0.22 0.14 -0.04 3.22 3.07 3hs7B1 GLN 241 H 0.00 0.40 -0.04 -0.55 8.47 8.29 3hs7B1 GLN 241 HA 0.06 0.29 0.55 -0.75 4.36 4.50 3hs7B1 GLN 241 HB2 0.06 0.11 0.11 -0.04 2.15 2.38 3hs7B1 GLN 241 HB3 0.01 -0.01 0.14 -0.04 2.02 2.12 3hs7B1 GLN 241 HG2 -0.12 -0.08 -0.07 -0.04 2.40 2.09 3hs7B1 GLN 241 HG3 0.23 0.08 0.07 -0.04 2.39 2.73 3hs7B1 GLN 241 HE21 0.19 -0.06 -0.05 -0.04 6.97 7.01 3hs7B1 GLN 241 HE22 0.16 0.09 -0.07 -0.04 7.69 7.83 3hs7B1 HIS 242 H 0.10 0.41 -0.32 -0.55 8.41 8.05 3hs7B1 HIS 242 HA -0.02 -0.01 0.37 -0.75 4.63 4.23 3hs7B1 HIS 242 HB2 0.07 0.07 0.12 -0.04 3.26 3.48 3hs7B1 HIS 242 HB3 0.21 -0.02 0.03 -0.04 3.20 3.38 3hs7B1 HIS 242 HD2 -0.05 -0.02 -0.14 -0.04 6.97 6.72 3hs7B1 HIS 242 HE1 0.05 -0.05 -0.02 -0.04 7.75 7.69 3hs7B1 LYS 243 H 0.10 0.28 -0.36 -0.55 8.42 7.88 3hs7B1 LYS 243 HA 0.10 0.10 0.68 -0.75 4.32 4.45 3hs7B1 LYS 243 HB2 0.04 0.03 0.09 -0.04 1.87 1.99 3hs7B1 LYS 243 HB3 0.04 0.08 0.02 -0.04 1.79 1.89 3hs7B1 LYS 243 HG2 0.05 0.01 0.04 -0.04 1.46 1.53 3hs7B1 LYS 243 HG3 0.07 0.06 0.04 -0.04 1.46 1.58 3hs7B1 LYS 243 HD2 0.02 -0.13 -0.09 -0.04 1.69 1.46 3hs7B1 LYS 243 HD3 0.03 0.10 -0.26 -0.04 1.68 1.50 3hs7B1 LYS 243 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.96 3hs7B1 LYS 243 HE3 0.02 -0.10 -0.06 -0.04 2.99 2.81 3hs7B1 LEU 244 H 0.02 0.30 -0.25 -0.55 8.37 7.90 3hs7B1 LEU 244 HA 0.02 0.08 0.63 -0.75 4.35 4.33 3hs7B1 LEU 244 HB2 0.02 0.14 0.12 -0.04 1.64 1.87 3hs7B1 LEU 244 HB3 0.02 -0.07 0.05 -0.04 1.64 1.60 3hs7B1 LEU 244 HG 0.02 0.03 -0.16 -0.04 1.64 1.49 3hs7B1 LEU 244 HD13 0.01 0.04 -0.36 -0.04 0.93 0.57 3hs7B1 LEU 244 HD23 0.03 -0.01 -0.25 -0.04 0.89 0.62 3hs7B1 ARG 245 H -0.13 0.22 -0.18 -0.55 8.46 7.82 3hs7B1 ARG 245 HA -0.17 0.07 0.76 -0.75 4.34 4.25 3hs7B1 ARG 245 HB2 -0.86 0.06 0.09 -0.04 1.90 1.15 3hs7B1 ARG 245 HB3 -0.99 -0.25 0.01 -0.04 1.80 0.53 3hs7B1 ARG 245 HG2 -0.57 0.06 -0.03 -0.04 1.67 1.09 3hs7B1 ARG 245 HG3 -0.43 0.14 -0.01 -0.04 1.67 1.33 3hs7B1 ARG 245 HD2 -2.18 -0.01 -0.07 -0.04 3.22 0.92 3hs7B1 ARG 245 HD3 -0.76 -0.01 -0.13 -0.04 3.22 2.28 3hs7B1 LEU 246 H -0.09 0.56 0.12 -0.55 8.37 8.41 3hs7B1 LEU 246 HA 0.02 0.19 0.56 -0.75 4.35 4.36 3hs7B1 LEU 246 HB2 0.06 0.08 -0.41 -0.04 1.64 1.33 3hs7B1 LEU 246 HB3 0.06 -0.05 -0.09 -0.04 1.64 1.53 3hs7B1 LEU 246 HG 0.06 -0.10 -0.11 -0.04 1.64 1.46 3hs7B1 LEU 246 HD13 -0.01 0.01 0.03 -0.04 0.93 0.91 3hs7B1 LEU 246 HD23 0.12 0.03 -0.08 -0.04 0.89 0.91 3hs7B1 PHE 247 H -0.32 0.15 -0.09 -0.55 8.34 7.52 3hs7B1 PHE 247 HA -0.05 -0.06 0.21 -0.75 4.62 3.97 3hs7B1 PHE 247 HB2 -0.05 0.26 -0.10 -0.04 3.15 3.22 3hs7B1 PHE 247 HB3 -0.05 -0.09 0.20 -0.04 3.06 3.08 3hs7B1 PHE 247 HD2 -0.11 0.02 -0.13 -0.04 7.28 7.02 3hs7B1 PHE 247 HE2 -0.29 0.16 0.03 -0.04 7.38 7.24 3hs7B1 PHE 247 HZ -1.18 -0.04 0.01 -0.04 7.32 6.07 3hs7B1 LYS 248 H 0.08 0.19 -0.34 -0.55 8.42 7.80 3hs7B1 LYS 248 HA 0.10 0.09 0.71 -0.75 4.32 4.47 3hs7B1 LYS 248 HB2 0.08 0.12 -0.12 -0.04 1.87 1.91 3hs7B1 LYS 248 HB3 0.08 0.02 -0.04 -0.04 1.79 1.81 3hs7B1 LYS 248 HG2 0.08 0.02 -0.19 -0.04 1.46 1.33 3hs7B1 LYS 248 HG3 0.07 -0.04 0.05 -0.04 1.46 1.51 3hs7B1 ASP 249 H 0.10 0.17 0.08 -0.55 8.40 8.20 3hs7B1 ASP 249 HA 0.12 0.10 0.25 -0.75 4.63 4.35 3hs7B1 ASP 249 HB2 0.11 0.12 -0.18 -0.04 2.71 2.71 3hs7B1 ASP 249 HB3 0.10 0.08 0.10 -0.04 2.70 2.94 3hs7B1 GLY 250 H 0.13 -0.10 -0.52 -0.55 8.43 7.39 3hs7B1 GLY 250 HA2 0.20 0.01 0.25 -0.51 4.01 3.95 3hs7B1 GLY 250 HA3 0.22 0.02 0.26 -0.51 4.01 4.00 3hs7B1 LYS 251 H 0.16 0.31 -0.28 -0.55 8.42 8.06 3hs7B1 LYS 251 HA 0.43 0.15 0.36 -0.75 4.32 4.50 3hs7B1 LYS 251 HB2 0.18 0.01 0.03 -0.04 1.87 2.05 3hs7B1 LYS 251 HB3 0.24 0.13 0.10 -0.04 1.79 2.22 3hs7B1 LYS 251 HG2 0.17 -0.02 0.00 -0.04 1.46 1.58 3hs7B1 LYS 251 HG3 0.15 0.11 -0.12 -0.04 1.46 1.56 3hs7B1 LYS 251 HD2 0.16 -0.05 -0.04 -0.04 1.69 1.72 3hs7B1 LYS 251 HD3 0.15 0.01 0.00 -0.04 1.68 1.81 3hs7B1 LYS 251 HE2 0.07 0.19 0.06 -0.04 2.99 3.26 3hs7B1 LYS 251 HE3 0.09 -0.01 -0.04 -0.04 2.99 2.98 3hs7B1 LEU 252 H 0.27 0.16 0.17 -0.55 8.37 8.42 3hs7B1 LEU 252 HA 0.03 0.06 0.96 -0.75 4.35 4.65 3hs7B1 LEU 252 HB2 0.10 -0.02 0.13 -0.04 1.64 1.80 3hs7B1 LEU 252 HB3 0.05 0.21 0.14 -0.04 1.64 2.00 3hs7B1 LEU 252 HG -0.23 -0.08 -0.07 -0.04 1.64 1.21 3hs7B1 LEU 252 HD13 -0.16 -0.00 0.03 -0.04 0.93 0.76 3hs7B1 LEU 252 HD23 0.10 0.00 -0.07 -0.04 0.89 0.88 3hs7B1 LYS 253 H 0.04 0.75 0.24 -0.55 8.42 8.89 3hs7B1 LYS 253 HA 0.02 -0.04 0.47 -0.75 4.32 4.01 3hs7B1 LYS 253 HB2 0.04 0.14 0.07 -0.04 1.87 2.08 3hs7B1 LYS 253 HB3 0.01 -0.08 -0.01 -0.04 1.79 1.67 3hs7B1 LYS 253 HG2 -0.01 -0.10 -0.04 -0.04 1.46 1.26 3hs7B1 LYS 253 HG3 0.00 0.02 -0.57 -0.04 1.46 0.87 3hs7B1 LYS 253 HD2 0.02 0.23 -0.05 -0.04 1.69 1.85 3hs7B1 LYS 253 HD3 0.01 -0.15 -0.07 -0.04 1.68 1.43 3hs7B1 LYS 253 HE2 0.03 -0.15 -0.01 -0.04 2.99 2.82 3hs7B1 LYS 253 HE3 0.05 0.16 -0.03 -0.04 2.99 3.13 3hs7B1 TYR 254 H -0.24 0.23 0.24 -0.55 8.29 7.97 3hs7B1 TYR 254 HA 0.06 0.10 0.48 -0.75 4.56 4.45 3hs7B1 TYR 254 HB2 0.03 0.12 0.11 -0.04 3.06 3.27 3hs7B1 TYR 254 HB3 0.04 0.12 -0.20 -0.04 2.98 2.89 3hs7B1 TYR 254 HD2 0.04 0.21 -0.27 -0.04 7.15 7.09 3hs7B1 TYR 254 HE2 0.04 -0.04 -0.11 -0.04 6.85 6.69 3hs7B1 GLN 255 H 0.25 0.81 0.19 -0.55 8.47 9.18 3hs7B1 GLN 255 HA 0.03 0.14 0.71 -0.75 4.36 4.48 3hs7B1 GLN 255 HB2 0.10 -0.07 0.05 -0.04 2.15 2.19 3hs7B1 GLN 255 HB3 0.07 -0.02 -0.00 -0.04 2.02 2.03 3hs7B1 GLN 255 HG2 0.24 0.34 -0.16 -0.04 2.40 2.77 3hs7B1 GLN 255 HG3 0.25 -0.09 -0.18 -0.04 2.39 2.33 3hs7B1 GLN 255 HE21 0.05 0.01 -0.08 -0.04 6.97 6.91 3hs7B1 GLN 255 HE22 0.52 0.33 -0.09 -0.04 7.69 8.41 3hs7B1 VAL 256 H 0.11 0.18 0.07 -0.55 8.24 8.05 3hs7B1 VAL 256 HA 0.16 0.41 0.85 -0.75 4.13 4.80 3hs7B1 VAL 256 HB 0.10 -0.04 0.11 -0.04 2.12 2.25 3hs7B1 VAL 256 HG13 0.07 -0.04 -0.33 -0.04 0.97 0.64 3hs7B1 VAL 256 HG23 0.24 0.02 -0.23 -0.04 0.95 0.94 3hs7B1 ILE 257 H 0.23 0.66 0.13 -0.55 8.25 8.72 3hs7B1 ILE 257 HA 0.08 0.12 0.96 -0.75 4.18 4.59 3hs7B1 ILE 257 HB 0.16 0.05 0.10 -0.04 1.89 2.15 3hs7B1 ILE 257 HG12 0.08 0.00 -0.12 -0.04 1.49 1.41 3hs7B1 ILE 257 HG13 0.18 -0.08 -0.31 -0.04 1.21 0.96 3hs7B1 ILE 257 HG23 0.02 0.00 -0.06 -0.04 0.93 0.85 3hs7B1 ILE 257 HD13 0.08 0.02 -0.07 -0.04 0.88 0.87 3hs7B1 GLY 258 H 0.05 0.19 0.11 -0.55 8.43 8.23 3hs7B1 GLY 258 HA2 0.03 0.03 0.32 -0.51 4.01 3.89 3hs7B1 GLY 258 HA3 0.05 0.12 0.42 -0.51 4.01 4.09 3hs7B1 GLY 259 H 0.05 0.07 -0.38 -0.55 8.43 7.63 3hs7B1 GLY 259 HA2 0.03 -0.00 0.20 -0.51 4.01 3.73 3hs7B1 GLY 259 HA3 0.02 0.12 0.47 -0.51 4.01 4.11 3hs7B1 GLU 260 H 0.07 0.34 -0.58 -0.55 8.60 7.88 3hs7B1 GLU 260 HA -0.10 0.14 0.79 -0.75 4.29 4.37 3hs7B1 GLU 260 HB2 0.15 0.11 0.07 -0.04 2.09 2.38 3hs7B1 GLU 260 HB3 -0.31 0.01 0.01 -0.04 1.99 1.66 3hs7B1 GLU 260 HG2 0.01 0.06 -0.20 -0.04 2.34 2.16 3hs7B1 GLU 260 HG3 0.06 0.00 0.02 -0.04 2.34 2.38 3hs7B1 VAL 261 H -0.22 0.15 0.19 -0.55 8.24 7.81 3hs7B1 VAL 261 HA -0.00 0.22 0.73 -0.75 4.13 4.33 3hs7B1 VAL 261 HB -0.23 -0.01 0.19 -0.04 2.12 2.02 3hs7B1 VAL 261 HG13 -0.23 0.01 -0.14 -0.04 0.97 0.56 3hs7B1 VAL 261 HG23 -0.21 -0.00 -0.02 -0.04 0.95 0.68 3hs7B1 TYR 262 H 0.16 0.71 0.44 -0.55 8.29 9.05 3hs7B1 TYR 262 HA -0.16 0.16 0.85 -0.75 4.56 4.66 3hs7B1 TYR 262 HB2 0.03 -0.07 0.02 -0.04 3.06 3.00 3hs7B1 TYR 262 HB3 -0.35 0.07 0.07 -0.04 2.98 2.73 3hs7B1 TYR 262 HD2 -0.23 0.01 -0.03 -0.04 7.15 6.86 3hs7B1 TYR 262 HE2 -0.15 -0.00 -0.05 -0.04 6.85 6.61 3hs7B1 PRO 263 HA 0.11 0.19 0.52 -0.51 4.44 4.76 3hs7B1 PRO 263 HB2 0.17 -0.08 -0.07 -0.04 2.28 2.27 3hs7B1 PRO 263 HB3 0.10 0.23 0.03 -0.04 2.02 2.34 3hs7B1 PRO 263 HG2 -0.14 -0.04 -0.04 -0.04 2.03 1.77 3hs7B1 PRO 263 HG3 -0.02 0.08 -0.03 -0.04 2.03 2.02 3hs7B1 PRO 263 HD2 -0.52 0.04 0.17 -0.04 3.68 3.33 3hs7B1 PRO 263 HD3 -0.11 0.13 0.19 -0.04 3.65 3.82 3hs7B1 PRO 264 HA 0.13 0.03 0.41 -0.51 4.44 4.51 3hs7B1 PRO 264 HB2 0.06 0.01 0.00 -0.04 2.28 2.31 3hs7B1 PRO 264 HB3 0.05 -0.01 -0.10 -0.04 2.02 1.92 3hs7B1 PRO 264 HG2 0.08 0.05 -0.03 -0.04 2.03 2.09 3hs7B1 PRO 264 HG3 0.07 0.09 -0.06 -0.04 2.03 2.09 3hs7B1 PRO 264 HD2 0.12 0.24 0.24 -0.04 3.68 4.24 3hs7B1 PRO 264 HD3 0.13 0.42 0.08 -0.04 3.65 4.23 3hs7B1 THR 265 H 0.05 0.03 0.11 -0.55 8.28 7.92 3hs7B1 THR 265 HA 0.02 0.36 0.68 -0.75 4.39 4.70 3hs7B1 THR 265 HB -0.08 0.06 0.19 -0.04 4.32 4.45 3hs7B1 THR 265 HG23 -0.07 0.03 -0.04 -0.04 1.22 1.11 3hs7B1 VAL 266 H -0.03 0.55 0.23 -0.55 8.24 8.44 3hs7B1 VAL 266 HA 0.04 0.12 0.59 -0.75 4.13 4.12 3hs7B1 VAL 266 HB -0.03 -0.04 0.13 -0.04 2.12 2.14 3hs7B1 VAL 266 HG13 0.02 0.02 -0.15 -0.04 0.97 0.82 3hs7B1 VAL 266 HG23 0.12 0.11 -0.11 -0.04 0.95 1.03 3hs7B1 LYS 267 H -0.04 0.13 -0.02 -0.55 8.42 7.94 3hs7B1 LYS 267 HA -0.02 0.11 0.36 -0.75 4.32 4.02 3hs7B1 LYS 267 HB2 -0.04 -0.02 0.10 -0.04 1.87 1.86 3hs7B1 LYS 267 HB3 -0.03 -0.02 0.01 -0.04 1.79 1.71 3hs7B1 ASP 268 H -0.01 -0.02 -0.38 -0.55 8.40 7.45 3hs7B1 ASP 268 HA -0.00 0.10 0.42 -0.75 4.63 4.40 3hs7B1 THR 269 H 0.02 0.25 -0.18 -0.55 8.28 7.83 3hs7B1 THR 269 HA 0.03 0.23 0.66 -0.75 4.39 4.56 3hs7B1 THR 269 HB 0.04 0.03 -0.08 -0.04 4.32 4.26 3hs7B1 THR 269 HG23 0.04 0.01 -0.05 -0.04 1.22 1.18 3hs7B1 GLN 270 H 0.01 0.42 -0.12 -0.55 8.47 8.23 3hs7B1 GLN 270 HA 0.01 0.05 0.25 -0.75 4.36 3.92 3hs7B1 GLN 270 HB2 0.02 0.24 0.25 -0.04 2.15 2.62 3hs7B1 GLN 270 HB3 0.01 -0.12 0.18 -0.04 2.02 2.05 3hs7B1 GLN 270 HG2 0.01 0.08 -0.38 -0.04 2.40 2.07 3hs7B1 GLN 270 HG3 0.01 -0.03 -0.11 -0.04 2.39 2.22 3hs7B1 GLN 270 HE21 -0.00 -0.07 -0.01 -0.04 6.97 6.85 3hs7B1 GLN 270 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.62 3hs7B1 VAL 271 H 0.03 0.07 -0.20 -0.55 8.24 7.59 3hs7B1 VAL 271 HA 0.02 0.05 0.58 -0.75 4.13 4.02 3hs7B1 VAL 271 HB 0.04 -0.04 -0.07 -0.04 2.12 2.02 3hs7B1 VAL 271 HG13 0.02 -0.01 -0.31 -0.04 0.97 0.63 3hs7B1 VAL 271 HG23 0.03 0.03 -0.21 -0.04 0.95 0.76 3hs7B1 GLU 272 H 0.00 0.09 0.11 -0.55 8.60 8.26 3hs7B1 GLU 272 HA 0.02 0.05 0.39 -0.75 4.29 3.99 3hs7B1 GLU 272 HB2 -0.00 0.02 0.11 -0.04 2.09 2.17 3hs7B1 GLU 272 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.95 3hs7B1 MET 273 H 0.04 0.23 0.21 -0.55 8.47 8.39 3hs7B1 MET 273 HA -0.05 0.11 0.82 -0.75 4.52 4.65 3hs7B1 MET 273 HB2 0.21 -0.04 -0.08 -0.04 2.15 2.21 3hs7B1 MET 273 HB3 -0.18 0.02 -0.07 -0.04 2.03 1.76 3hs7B1 MET 273 HG2 0.08 0.07 -0.54 -0.04 2.63 2.20 3hs7B1 MET 273 HG3 0.22 0.15 -0.18 -0.04 2.56 2.70 3hs7B1 MET 273 HE3 0.01 0.10 -0.06 -0.04 2.10 2.11 3hs7B1 ILE 274 H -0.14 0.70 0.27 -0.55 8.25 8.53 3hs7B1 ILE 274 HA -0.07 0.09 0.76 -0.75 4.18 4.21 3hs7B1 ILE 274 HB -0.01 -0.01 0.24 -0.04 1.89 2.06 3hs7B1 ILE 274 HG12 -0.05 0.04 -0.03 -0.04 1.49 1.41 3hs7B1 ILE 274 HG13 -0.01 -0.06 -0.06 -0.04 1.21 1.04 3hs7B1 ILE 274 HG23 -0.00 -0.01 -0.10 -0.04 0.93 0.77 3hs7B1 ILE 274 HD13 -0.02 0.00 -0.10 -0.04 0.88 0.72 3hs7B1 TYR 275 H -0.02 0.32 0.13 -0.55 8.29 8.17 3hs7B1 TYR 275 HA -0.41 0.15 0.66 -0.75 4.56 4.20 3hs7B1 TYR 275 HB2 -0.11 -0.02 -0.01 -0.04 3.06 2.87 3hs7B1 TYR 275 HB3 -0.20 0.13 -0.03 -0.04 2.98 2.84 3hs7B1 TYR 275 HD2 -0.02 0.01 -0.10 -0.04 7.15 6.99 3hs7B1 TYR 275 HE2 0.08 0.08 -0.11 -0.04 6.85 6.86 3hs7B1 PRO 276 HA -0.17 0.10 0.59 -0.51 4.44 4.46 3hs7B1 PRO 276 HB2 -0.53 -0.04 -0.00 -0.04 2.28 1.67 3hs7B1 PRO 276 HB3 -0.16 0.01 0.10 -0.04 2.02 1.93 3hs7B1 PRO 276 HG2 -0.54 0.08 0.04 -0.04 2.03 1.57 3hs7B1 PRO 276 HG3 -0.36 0.03 0.03 -0.04 2.03 1.69 3hs7B1 PRO 276 HD2 -1.15 0.16 0.17 -0.04 3.68 2.82 3hs7B1 PRO 276 HD3 -1.09 0.12 -0.07 -0.04 3.65 2.57 3hs7B1 PRO 277 HA -0.07 0.12 0.37 -0.51 4.44 4.35 3hs7B1 PRO 277 HB2 0.01 -0.03 0.07 -0.04 2.28 2.29 3hs7B1 PRO 277 HB3 -0.02 0.03 0.06 -0.04 2.02 2.06 3hs7B1 PRO 277 HG2 -0.01 0.02 0.09 -0.04 2.03 2.09 3hs7B1 PRO 277 HG3 -0.03 0.07 0.11 -0.04 2.03 2.13 3hs7B1 PRO 277 HD2 -0.05 0.07 0.22 -0.04 3.68 3.87 3hs7B1 PRO 277 HD3 -0.07 0.18 0.24 -0.04 3.65 3.95 3hs7B1 HIS 278 H -0.07 0.06 -0.23 -0.55 8.41 7.63 3hs7B1 HIS 278 HA -0.04 0.05 0.21 -0.75 4.63 4.10 3hs7B1 HIS 278 HB2 -0.02 -0.01 0.10 -0.04 3.26 3.29 3hs7B1 HIS 278 HB3 -0.02 -0.05 0.06 -0.04 3.20 3.15 3hs7B1 HIS 278 HD2 -0.01 -0.03 -0.25 -0.04 6.97 6.64 3hs7B1 HIS 278 HE1 0.03 0.01 -0.03 -0.04 7.75 7.72 3hs7B1 ILE 279 H -0.32 0.38 -0.58 -0.55 8.25 7.18 3hs7B1 ILE 279 HA -0.12 0.07 0.62 -0.75 4.18 4.00 3hs7B1 ILE 279 HB -0.27 0.07 0.04 -0.04 1.89 1.70 3hs7B1 ILE 279 HG12 -0.15 0.10 0.04 -0.04 1.49 1.44 3hs7B1 ILE 279 HG13 -0.73 -0.19 -0.10 -0.04 1.21 0.15 3hs7B1 ILE 279 HG23 -0.35 -0.00 -0.16 -0.04 0.93 0.38 3hs7B1 ILE 279 HD13 -0.13 -0.00 0.08 -0.04 0.88 0.79 3hs7B1 PRO 280 HA -0.11 0.15 0.35 -0.51 4.44 4.32 3hs7B1 PRO 280 HB2 -0.10 -0.13 0.06 -0.04 2.28 2.06 3hs7B1 PRO 280 HB3 -0.07 0.10 0.10 -0.04 2.02 2.12 3hs7B1 PRO 280 HG2 -0.14 -0.16 0.04 -0.04 2.03 1.73 3hs7B1 PRO 280 HG3 -0.07 0.07 0.09 -0.04 2.03 2.09 3hs7B1 PRO 280 HD2 -0.12 0.05 0.20 -0.04 3.68 3.76 3hs7B1 PRO 280 HD3 -0.04 0.38 0.35 -0.04 3.65 4.30 3hs7B1 GLU 281 H -0.11 0.15 0.15 -0.55 8.60 8.24 3hs7B1 ASN 282 H -0.15 0.05 -0.20 -0.55 8.53 7.69 3hs7B1 ASN 282 HA -0.18 0.09 0.38 -0.75 4.76 4.29 3hs7B1 ASN 282 HB2 -0.15 0.05 -0.03 -0.04 2.88 2.71 3hs7B1 ASN 282 HB3 -0.11 -0.00 0.05 -0.04 2.79 2.69 3hs7B1 ASN 282 HD21 -0.10 0.01 -0.04 -0.04 7.03 6.86 3hs7B1 ASN 282 HD22 -0.12 0.03 -0.10 -0.04 7.74 7.51 3hs7B1 LEU 283 H -0.29 0.22 -0.27 -0.55 8.37 7.48 3hs7B1 LEU 283 HA -0.72 0.14 0.47 -0.75 4.35 3.49 3hs7B1 LEU 283 HB2 -0.26 0.12 0.02 -0.04 1.64 1.48 3hs7B1 LEU 283 HB3 -0.24 -0.09 0.11 -0.04 1.64 1.38 3hs7B1 LEU 283 HG -0.20 -0.09 -0.11 -0.04 1.64 1.20 3hs7B1 LEU 283 HD13 -0.09 -0.00 0.02 -0.04 0.93 0.81 3hs7B1 LEU 283 HD23 -0.15 -0.01 -0.18 -0.04 0.89 0.51 3hs7B1 GLN 284 H -0.46 0.25 -0.69 -0.55 8.47 7.02 3hs7B1 GLN 284 HA -1.08 0.16 0.71 -0.75 4.36 3.39 3hs7B1 PHE 285 H -0.16 0.22 -0.23 -0.55 8.34 7.62 3hs7B1 PHE 285 HA 0.04 0.22 0.38 -0.75 4.62 4.50 3hs7B1 PHE 285 HB2 0.12 -0.09 -0.04 -0.04 3.15 3.10 3hs7B1 PHE 285 HB3 0.09 0.06 -0.15 -0.04 3.06 3.02 3hs7B1 PHE 285 HD2 0.02 0.13 -0.12 -0.04 7.28 7.27 3hs7B1 PHE 285 HE2 -0.11 -0.04 -0.05 -0.04 7.38 7.14 3hs7B1 PHE 285 HZ -0.35 -0.06 -0.06 -0.04 7.32 6.81 3hs7B1 ALA 286 H 0.21 0.83 0.10 -0.55 8.40 9.00 3hs7B1 ALA 286 HA 0.15 0.08 0.68 -0.75 4.34 4.49 3hs7B1 ALA 286 HB3 0.09 -0.01 -0.23 -0.04 1.41 1.21 3hs7B1 VAL 287 H 0.08 0.17 -0.02 -0.55 8.24 7.92 3hs7B1 VAL 287 HA 0.04 0.28 0.75 -0.75 4.13 4.44 3hs7B1 VAL 287 HB 0.06 -0.03 0.18 -0.04 2.12 2.29 3hs7B1 VAL 287 HG13 0.11 0.00 -0.24 -0.04 0.97 0.80 3hs7B1 VAL 287 HG23 0.13 -0.01 -0.12 -0.04 0.95 0.91 3hs7B1 GLY 288 H -0.07 0.24 0.09 -0.55 8.43 8.15 3hs7B1 GLY 288 HA2 -0.06 0.03 0.00 -0.51 4.01 3.47 3hs7B1 GLY 288 HA3 -0.12 -0.12 -0.46 -0.51 4.01 2.80 3hs7B1 GLN 289 H -0.31 0.20 -0.16 -0.55 8.47 7.66 3hs7B1 GLN 289 HA -0.31 0.12 0.82 -0.75 4.36 4.24 3hs7B1 GLN 289 HB2 -1.11 0.11 0.14 -0.04 2.15 1.26 3hs7B1 GLN 289 HB3 -1.80 -0.16 0.04 -0.04 2.02 0.06 3hs7B1 GLN 289 HG2 -0.38 0.02 -0.02 -0.04 2.40 1.97 3hs7B1 GLN 289 HG3 -0.66 0.11 -0.05 -0.04 2.39 1.74 3hs7B1 GLN 289 HE21 -0.10 -0.07 0.03 -0.04 6.97 6.78 3hs7B1 GLN 289 HE22 -0.18 0.66 0.12 -0.04 7.69 8.25 3hs7B1 GLU 290 H -0.18 0.18 0.15 -0.55 8.60 8.21 3hs7B1 GLU 290 HA -0.10 0.22 0.25 -0.75 4.29 3.91 3hs7B1 GLU 290 HB2 -0.07 -0.11 0.07 -0.04 2.09 1.94 3hs7B1 GLU 290 HB3 -0.06 0.29 0.12 -0.04 1.99 2.29 3hs7B1 GLU 290 HG2 -0.10 -0.07 0.10 -0.04 2.34 2.23 3hs7B1 GLU 290 HG3 -0.06 -0.01 -0.01 -0.04 2.34 2.22 3hs7B1 VAL 291 H -0.15 0.11 -0.37 -0.55 8.24 7.28 3hs7B1 VAL 291 HA -0.00 0.27 1.05 -0.75 4.13 4.70 3hs7B1 VAL 291 HB 0.09 -0.01 0.16 -0.04 2.12 2.32 3hs7B1 VAL 291 HG13 0.02 0.01 -0.07 -0.04 0.97 0.88 3hs7B1 VAL 291 HG23 0.18 0.01 -0.09 -0.04 0.95 1.01 3hs7B1 PHE 292 H 0.06 0.44 -0.09 -0.55 8.34 8.19 3hs7B1 PHE 292 HA -0.01 0.04 0.34 -0.75 4.62 4.24 3hs7B1 PHE 292 HB2 0.02 0.18 0.06 -0.04 3.15 3.37 3hs7B1 PHE 292 HB3 0.06 -0.02 -0.03 -0.04 3.06 3.03 3hs7B1 PHE 292 HD2 0.06 -0.04 -0.15 -0.04 7.28 7.10 3hs7B1 PHE 292 HE2 -0.18 0.03 -0.07 -0.04 7.38 7.12 3hs7B1 PHE 292 HZ -0.25 0.15 -0.05 -0.04 7.32 7.14 3hs7B1 GLY 293 H -0.00 0.13 -0.52 -0.55 8.43 7.50 3hs7B1 GLY 293 HA2 0.17 0.09 0.56 -0.51 4.01 4.32 3hs7B1 GLY 293 HA3 -0.09 0.13 0.21 -0.51 4.01 3.74 3hs7B1 LEU 294 H -0.10 0.48 -0.15 -0.55 8.37 8.06 3hs7B1 LEU 294 HA -1.77 0.04 0.44 -0.75 4.35 2.30 3hs7B1 LEU 294 HB2 -0.29 0.02 0.18 -0.04 1.64 1.52 3hs7B1 LEU 294 HB3 -0.14 0.10 0.18 -0.04 1.64 1.75 3hs7B1 LEU 294 HG -0.19 -0.05 -0.21 -0.04 1.64 1.14 3hs7B1 LEU 294 HD13 -0.32 -0.01 0.03 -0.04 0.93 0.59 3hs7B1 LEU 294 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.85 3hs7B1 VAL 295 H -0.14 0.24 -0.28 -0.55 8.24 7.51 3hs7B1 VAL 295 HA -0.28 0.27 0.90 -0.75 4.13 4.26 3hs7B1 VAL 295 HB -0.08 -0.13 0.05 -0.04 2.12 1.92 3hs7B1 VAL 295 HG13 0.09 -0.07 -0.03 -0.04 0.97 0.92 3hs7B1 VAL 295 HG23 0.00 0.04 -0.17 -0.04 0.95 0.78 3hs7B1 PRO 296 HA -0.20 0.10 0.47 -0.51 4.44 4.30 3hs7B1 PRO 296 HB2 -0.32 0.02 -0.04 -0.04 2.28 1.91 3hs7B1 PRO 296 HB3 -0.20 -0.02 0.05 -0.04 2.02 1.81 3hs7B1 PRO 296 HG2 -1.26 0.11 0.12 -0.04 2.03 0.96 3hs7B1 PRO 296 HG3 -0.42 0.06 -0.13 -0.04 2.03 1.49 3hs7B1 PRO 296 HD2 -1.34 0.05 0.17 -0.04 3.68 2.52 3hs7B1 PRO 296 HD3 -0.51 0.22 0.18 -0.04 3.65 3.49 3hs7B1 GLY 297 H -0.38 0.15 -0.24 -0.55 8.43 7.42 3hs7B1 GLY 297 HA2 -0.35 0.10 0.37 -0.51 4.01 3.62 3hs7B1 GLY 297 HA3 -2.11 0.08 0.21 -0.51 4.01 1.68 3hs7B1 LEU 298 H -0.25 0.21 -0.34 -0.55 8.37 7.44 3hs7B1 LEU 298 HA -0.10 0.09 0.53 -0.75 4.35 4.11 3hs7B1 LEU 298 HB2 -0.17 0.27 0.17 -0.04 1.64 1.87 3hs7B1 LEU 298 HB3 -0.61 -0.02 0.03 -0.04 1.64 1.00 3hs7B1 LEU 298 HG -0.07 -0.10 -0.03 -0.04 1.64 1.39 3hs7B1 LEU 298 HD13 -0.11 -0.02 -0.04 -0.04 0.93 0.71 3hs7B1 LEU 298 HD23 -0.38 0.02 -0.12 -0.04 0.89 0.37 3hs7B1 MET 299 H -0.12 0.36 -0.02 -0.55 8.47 8.14 3hs7B1 MET 299 HA 0.01 0.03 0.46 -0.75 4.52 4.27 3hs7B1 MET 299 HB2 -0.10 -0.01 0.18 -0.04 2.15 2.18 3hs7B1 MET 299 HB3 -0.12 -0.03 -0.01 -0.04 2.03 1.84 3hs7B1 MET 299 HG2 0.08 0.41 0.06 -0.04 2.63 3.14 3hs7B1 MET 299 HG3 0.15 -0.05 -0.00 -0.04 2.56 2.62 3hs7B1 MET 299 HE3 -0.23 -0.02 -0.02 -0.04 2.10 1.79 3hs7B1 MET 300 H -0.16 0.48 -0.31 -0.55 8.47 7.94 3hs7B1 MET 300 HA -0.22 0.03 0.48 -0.75 4.52 4.05 3hs7B1 MET 300 HB2 -0.12 0.02 0.08 -0.04 2.15 2.09 3hs7B1 MET 300 HB3 -0.15 0.20 0.10 -0.04 2.03 2.15 3hs7B1 MET 300 HG2 -0.27 -0.01 -0.22 -0.04 2.63 2.09 3hs7B1 MET 300 HG3 -0.14 -0.05 0.01 -0.04 2.56 2.34 3hs7B1 MET 300 HE3 -0.39 0.01 -0.06 -0.04 2.10 1.63 3hs7B1 TYR 301 H -0.10 0.34 -0.17 -0.55 8.29 7.80 3hs7B1 TYR 301 HA -0.15 0.03 0.46 -0.75 4.56 4.15 3hs7B1 TYR 301 HB2 -0.49 0.10 0.14 -0.04 3.06 2.77 3hs7B1 TYR 301 HB3 -0.77 -0.03 -0.03 -0.04 2.98 2.11 3hs7B1 TYR 301 HD2 0.01 0.03 -0.06 -0.04 7.15 7.09 3hs7B1 TYR 301 HE2 0.33 -0.03 -0.09 -0.04 6.85 7.01 3hs7B1 ALA 302 H -0.04 0.53 -0.16 -0.55 8.40 8.18 3hs7B1 ALA 302 HA 0.25 0.01 0.45 -0.75 4.34 4.29 3hs7B1 ALA 302 HB3 0.20 0.01 0.08 -0.04 1.41 1.66 3hs7B1 THR 303 H -0.06 0.58 -0.20 -0.55 8.28 8.05 3hs7B1 THR 303 HA -0.06 0.04 0.51 -0.75 4.39 4.12 3hs7B1 THR 303 HB -0.16 0.07 0.21 -0.04 4.32 4.39 3hs7B1 THR 303 HG23 -0.31 -0.03 0.06 -0.04 1.22 0.89 3hs7B1 ILE 304 H -0.11 0.51 -0.05 -0.55 8.25 8.05 3hs7B1 ILE 304 HA -0.16 0.09 0.46 -0.75 4.18 3.81 3hs7B1 ILE 304 HB -0.21 0.01 0.16 -0.04 1.89 1.81 3hs7B1 ILE 304 HG12 -0.18 0.02 -0.03 -0.04 1.49 1.25 3hs7B1 ILE 304 HG13 -0.19 0.05 0.06 -0.04 1.21 1.08 3hs7B1 ILE 304 HG23 -0.37 -0.00 -0.21 -0.04 0.93 0.31 3hs7B1 ILE 304 HD13 -0.27 -0.03 -0.12 -0.04 0.88 0.41 3hs7B1 TRP 305 H 0.11 0.64 -0.10 -0.55 7.97 8.08 3hs7B1 TRP 305 HA 0.04 0.01 0.41 -0.75 4.62 4.32 3hs7B1 TRP 305 HB2 -0.01 0.14 0.12 -0.04 3.23 3.44 3hs7B1 TRP 305 HB3 -0.02 -0.06 -0.01 -0.04 3.23 3.09 3hs7B1 TRP 305 HD1 -0.10 0.12 -0.08 -0.04 7.22 7.12 3hs7B1 TRP 305 HE1 0.00 -0.04 -0.05 -0.04 10.20 10.07 3hs7B1 TRP 305 HE3 0.09 -0.04 0.03 -0.04 7.59 7.63 3hs7B1 TRP 305 HZ2 0.28 -0.02 -0.07 -0.04 7.44 7.58 3hs7B1 TRP 305 HZ3 0.12 0.00 -0.03 -0.04 7.13 7.18 3hs7B1 TRP 305 HH2 0.15 -0.01 -0.20 -0.04 7.19 7.09 3hs7B1 LEU 306 H 0.11 0.46 -0.29 -0.55 8.37 8.10 3hs7B1 LEU 306 HA 0.08 -0.00 0.53 -0.75 4.35 4.21 3hs7B1 LEU 306 HB2 0.04 0.09 0.17 -0.04 1.64 1.90 3hs7B1 LEU 306 HB3 0.01 0.09 0.14 -0.04 1.64 1.83 3hs7B1 LEU 306 HG 0.06 -0.11 0.06 -0.04 1.64 1.61 3hs7B1 LEU 306 HD13 0.05 0.04 0.06 -0.04 0.93 1.04 3hs7B1 LEU 306 HD23 0.04 0.01 -0.26 -0.04 0.89 0.64 3hs7B1 ARG 307 H -0.02 0.60 -0.11 -0.55 8.46 8.38 3hs7B1 ARG 307 HA -0.07 -0.01 0.50 -0.75 4.34 4.02 3hs7B1 ARG 307 HB2 -0.10 0.17 0.26 -0.04 1.90 2.19 3hs7B1 ARG 307 HB3 -0.10 -0.05 0.08 -0.04 1.80 1.69 3hs7B1 ARG 307 HG2 -0.17 -0.12 0.09 -0.04 1.67 1.43 3hs7B1 ARG 307 HG3 -0.15 0.09 0.10 -0.04 1.67 1.67 3hs7B1 ARG 307 HD2 -0.18 -0.02 0.06 -0.04 3.22 3.03 3hs7B1 ARG 307 HD3 -0.16 0.09 0.18 -0.04 3.22 3.28 3hs7B1 GLU 308 H 0.03 0.51 -0.17 -0.55 8.60 8.43 3hs7B1 GLU 308 HA 0.01 0.02 0.33 -0.75 4.29 3.90 3hs7B1 GLU 308 HB2 -0.10 0.07 0.07 -0.04 2.09 2.08 3hs7B1 GLU 308 HB3 0.21 0.08 0.18 -0.04 1.99 2.41 3hs7B1 GLU 308 HG2 0.14 -0.04 -0.05 -0.04 2.34 2.35 3hs7B1 GLU 308 HG3 0.24 -0.01 -0.26 -0.04 2.34 2.27 3hs7B1 HIS 309 H 0.28 0.63 -0.09 -0.55 8.41 8.69 3hs7B1 HIS 309 HA 0.18 -0.01 0.42 -0.75 4.63 4.47 3hs7B1 HIS 309 HB2 0.20 0.00 0.12 -0.04 3.26 3.54 3hs7B1 HIS 309 HB3 0.14 0.15 0.19 -0.04 3.20 3.64 3hs7B1 HIS 309 HD2 0.18 -0.11 -0.18 -0.04 6.97 6.83 3hs7B1 HIS 309 HE1 -0.29 0.06 0.07 -0.04 7.75 7.54 3hs7B1 ASN 310 H 0.20 0.50 -0.18 -0.55 8.53 8.50 3hs7B1 ASN 310 HA 0.12 -0.02 0.38 -0.75 4.76 4.49 3hs7B1 ASN 310 HB2 0.01 0.17 0.15 -0.04 2.88 3.17 3hs7B1 ASN 310 HB3 0.01 -0.06 0.05 -0.04 2.79 2.74 3hs7B1 ASN 310 HD21 0.22 0.32 0.05 -0.04 7.03 7.58 3hs7B1 ASN 310 HD22 -0.18 -0.04 -0.01 -0.04 7.74 7.46 3hs7B1 ARG 311 H 0.03 0.49 -0.28 -0.55 8.46 8.14 3hs7B1 ARG 311 HA -0.00 0.00 0.60 -0.75 4.34 4.18 3hs7B1 ARG 311 HB2 -0.02 0.12 0.08 -0.04 1.90 2.05 3hs7B1 ARG 311 HB3 0.01 0.09 0.13 -0.04 1.80 1.99 3hs7B1 ARG 311 HG2 -0.00 -0.10 -0.05 -0.04 1.67 1.48 3hs7B1 ARG 311 HG3 -0.02 -0.01 0.04 -0.04 1.67 1.64 3hs7B1 ARG 311 HD2 -0.02 -0.03 -0.01 -0.04 3.22 3.12 3hs7B1 ARG 311 HD3 -0.03 0.09 -0.10 -0.04 3.22 3.14 3hs7B1 VAL 312 H 0.02 0.65 -0.02 -0.55 8.24 8.35 3hs7B1 VAL 312 HA 0.03 -0.02 0.47 -0.75 4.13 3.86 3hs7B1 VAL 312 HB -0.02 0.18 0.24 -0.04 2.12 2.48 3hs7B1 VAL 312 HG13 0.06 -0.02 -0.04 -0.04 0.97 0.93 3hs7B1 VAL 312 HG23 0.08 0.01 0.02 -0.04 0.95 1.02 3hs7B1 CYS 313 H -0.07 0.60 -0.05 -0.55 8.50 8.42 3hs7B1 CYS 313 HA 0.05 -0.02 0.40 -0.75 4.58 4.25 3hs7B1 CYS 313 HB2 0.03 0.10 0.09 -0.04 2.97 3.15 3hs7B1 CYS 313 HB3 0.08 0.17 0.00 -0.04 2.97 3.18 3hs7B1 ASP 314 H 0.02 0.41 -0.35 -0.55 8.40 7.94 3hs7B1 ASP 314 HA 0.04 -0.00 0.48 -0.75 4.63 4.39 3hs7B1 ASP 314 HB2 0.01 0.22 0.20 -0.04 2.71 3.10 3hs7B1 ASP 314 HB3 0.01 -0.08 -0.00 -0.04 2.70 2.59 3hs7B1 ILE 315 H 0.02 0.49 -0.09 -0.55 8.25 8.11 3hs7B1 ILE 315 HA 0.00 -0.01 0.42 -0.75 4.18 3.84 3hs7B1 ILE 315 HB 0.03 0.16 0.18 -0.04 1.89 2.22 3hs7B1 ILE 315 HG12 0.02 0.30 0.09 -0.04 1.49 1.85 3hs7B1 ILE 315 HG13 0.02 -0.04 -0.01 -0.04 1.21 1.14 3hs7B1 ILE 315 HG23 0.01 -0.03 -0.13 -0.04 0.93 0.75 3hs7B1 ILE 315 HD13 0.00 -0.03 -0.03 -0.04 0.88 0.78 3hs7B1 LEU 316 H 0.06 0.72 -0.07 -0.55 8.37 8.53 3hs7B1 LEU 316 HA 0.04 -0.02 0.40 -0.75 4.35 4.01 3hs7B1 LEU 316 HB2 0.16 0.11 0.10 -0.04 1.64 1.97 3hs7B1 LEU 316 HB3 0.25 -0.08 -0.01 -0.04 1.64 1.76 3hs7B1 LEU 316 HG 0.12 0.12 -0.01 -0.04 1.64 1.83 3hs7B1 LEU 316 HD13 0.24 -0.00 -0.15 -0.04 0.93 0.98 3hs7B1 LEU 316 HD23 0.19 -0.01 -0.02 -0.04 0.89 1.00 3hs7B1 LYS 317 H 0.06 0.63 -0.18 -0.55 8.42 8.38 3hs7B1 LYS 317 HA 0.08 0.09 0.34 -0.75 4.32 4.07 3hs7B1 LYS 317 HB2 0.09 0.06 0.11 -0.04 1.87 2.08 3hs7B1 LYS 317 HB3 0.04 0.10 0.12 -0.04 1.79 2.02 3hs7B1 LYS 317 HG2 0.03 -0.02 -0.19 -0.04 1.46 1.24 3hs7B1 LYS 317 HG3 0.07 0.02 0.03 -0.04 1.46 1.53 3hs7B1 LYS 317 HD2 0.08 -0.02 -0.00 -0.04 1.69 1.71 3hs7B1 LYS 317 HD3 0.05 -0.01 -0.02 -0.04 1.68 1.66 3hs7B1 LYS 317 HE2 0.06 -0.06 -0.01 -0.04 2.99 2.94 3hs7B1 LYS 317 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.98 3hs7B1 GLN 318 H -0.01 0.44 -0.29 -0.55 8.47 8.06 3hs7B1 GLN 318 HA -0.04 0.01 0.45 -0.75 4.36 4.03 3hs7B1 GLN 318 HB2 -0.03 0.17 0.16 -0.04 2.15 2.40 3hs7B1 GLN 318 HB3 -0.04 -0.09 0.00 -0.04 2.02 1.85 3hs7B1 GLN 318 HG2 -0.02 -0.07 0.02 -0.04 2.40 2.29 3hs7B1 GLN 318 HG3 -0.01 0.15 0.05 -0.04 2.39 2.55 3hs7B1 GLN 318 HE21 -0.01 -0.06 -0.06 -0.04 6.97 6.80 3hs7B1 GLN 318 HE22 -0.01 0.16 -0.14 -0.04 7.69 7.66 3hs7B1 GLU 319 H -0.12 0.40 -0.13 -0.55 8.60 8.20 3hs7B1 GLU 319 HA -0.26 0.00 0.63 -0.75 4.29 3.90 3hs7B1 GLU 319 HB2 -0.27 0.11 0.17 -0.04 2.09 2.05 3hs7B1 GLU 319 HB3 -0.58 -0.07 0.08 -0.04 1.99 1.38 3hs7B1 GLU 319 HG2 -0.09 0.24 0.05 -0.04 2.34 2.49 3hs7B1 GLU 319 HG3 -0.09 -0.11 -0.01 -0.04 2.34 2.09 3hs7B1 HIS 320 H -0.22 0.68 -0.16 -0.55 8.41 8.17 3hs7B1 HIS 320 HA -0.38 0.13 0.96 -0.75 4.63 4.58 3hs7B1 HIS 320 HB2 -0.94 0.10 0.17 -0.04 3.26 2.55 3hs7B1 HIS 320 HB3 -1.47 -0.21 0.12 -0.04 3.20 1.60 3hs7B1 HIS 320 HD2 -0.83 0.05 0.05 -0.04 6.97 6.20 3hs7B1 HIS 320 HE1 -0.24 -0.08 -0.05 -0.04 7.75 7.34 3hs7B1 PRO 321 HA 0.03 0.18 0.55 -0.51 4.44 4.69 3hs7B1 PRO 321 HB2 0.01 -0.05 0.00 -0.04 2.28 2.20 3hs7B1 PRO 321 HB3 -0.01 0.05 0.12 -0.04 2.02 2.14 3hs7B1 PRO 321 HG2 -0.03 -0.07 0.04 -0.04 2.03 1.93 3hs7B1 PRO 321 HG3 -0.05 0.03 0.04 -0.04 2.03 2.02 3hs7B1 PRO 321 HD2 -0.16 0.14 0.05 -0.04 3.68 3.67 3hs7B1 PRO 321 HD3 -0.12 0.32 -0.27 -0.04 3.65 3.54 3hs7B1 GLU 322 H 0.02 0.05 -0.36 -0.55 8.60 7.76 3hs7B1 GLU 322 HA 0.10 0.12 0.54 -0.75 4.29 4.30 3hs7B1 GLU 322 HB2 0.12 -0.03 0.06 -0.04 2.09 2.20 3hs7B1 GLU 322 HB3 0.06 -0.00 0.04 -0.04 1.99 2.05 3hs7B1 GLU 322 HG2 0.35 0.00 -0.27 -0.04 2.34 2.38 3hs7B1 GLU 322 HG3 0.15 -0.02 -0.04 -0.04 2.34 2.40 3hs7B1 TRP 323 H 0.27 0.27 -0.25 -0.55 7.97 7.71 3hs7B1 TRP 323 HA 0.02 -0.06 0.42 -0.75 4.62 4.24 3hs7B1 TRP 323 HB2 0.07 0.31 0.11 -0.04 3.23 3.68 3hs7B1 TRP 323 HB3 0.02 -0.03 -0.06 -0.04 3.23 3.12 3hs7B1 TRP 323 HD1 0.01 -0.05 -0.13 -0.04 7.22 7.01 3hs7B1 TRP 323 HE1 -0.14 -0.01 -0.03 -0.04 10.20 9.99 3hs7B1 TRP 323 HE3 -0.03 0.01 -0.15 -0.04 7.59 7.38 3hs7B1 TRP 323 HZ2 -0.43 -0.02 -0.01 -0.04 7.44 6.94 3hs7B1 TRP 323 HZ3 -0.07 0.04 -0.11 -0.04 7.13 6.95 3hs7B1 TRP 323 HH2 -0.24 -0.03 -0.03 -0.04 7.19 6.85 3hs7B1 GLY 324 H 0.09 0.01 0.16 -0.55 8.43 8.15 3hs7B1 GLY 324 HA2 0.11 0.24 0.64 -0.51 4.01 4.50 3hs7B1 GLY 324 HA3 0.07 -0.03 0.38 -0.51 4.01 3.92 3hs7B1 ASP 325 H 0.09 0.21 0.14 -0.55 8.40 8.29 3hs7B1 ASP 325 HA 0.13 0.04 0.31 -0.75 4.63 4.35 3hs7B1 ASP 325 HB2 0.11 0.03 -0.02 -0.04 2.71 2.79 3hs7B1 ASP 325 HB3 0.11 0.05 0.11 -0.04 2.70 2.92 3hs7B1 GLU 326 H 0.06 0.10 -0.10 -0.55 8.60 8.12 3hs7B1 GLU 326 HA 0.10 0.11 0.28 -0.75 4.29 4.02 3hs7B1 GLU 326 HB2 0.06 0.03 0.09 -0.04 2.09 2.23 3hs7B1 GLU 326 HB3 0.00 -0.04 0.07 -0.04 1.99 1.99 3hs7B1 GLU 326 HG2 0.03 0.03 -0.02 -0.04 2.34 2.33 3hs7B1 GLU 326 HG3 0.03 0.02 -0.18 -0.04 2.34 2.17 3hs7B1 GLN 327 H -0.08 0.05 -0.22 -0.55 8.47 7.67 3hs7B1 GLN 327 HA -0.22 0.07 0.40 -0.75 4.36 3.85 3hs7B1 GLN 327 HB2 -0.45 -0.05 0.08 -0.04 2.15 1.69 3hs7B1 GLN 327 HB3 -0.60 0.04 0.04 -0.04 2.02 1.46 3hs7B1 GLN 327 HG2 -1.80 0.06 -0.14 -0.04 2.40 0.48 3hs7B1 GLN 327 HG3 -0.71 0.01 0.04 -0.04 2.39 1.69 3hs7B1 GLN 327 HE21 -0.54 -0.00 -0.01 -0.04 6.97 6.38 3hs7B1 GLN 327 HE22 -0.80 0.05 -0.01 -0.04 7.69 6.89 3hs7B1 LEU 328 H 0.07 0.40 -0.23 -0.55 8.37 8.06 3hs7B1 LEU 328 HA 0.27 0.03 0.34 -0.75 4.35 4.23 3hs7B1 LEU 328 HB2 0.18 -0.02 -0.04 -0.04 1.64 1.71 3hs7B1 LEU 328 HB3 0.18 0.11 -0.19 -0.04 1.64 1.70 3hs7B1 LEU 328 HG 0.36 0.00 -0.16 -0.04 1.64 1.80 3hs7B1 LEU 328 HD13 0.18 0.01 -0.25 -0.04 0.93 0.83 3hs7B1 LEU 328 HD23 0.35 0.04 -0.14 -0.04 0.89 1.10 3hs7B1 PHE 329 H 0.23 0.51 -0.10 -0.55 8.34 8.43 3hs7B1 PHE 329 HA 0.17 0.22 0.47 -0.75 4.62 4.71 3hs7B1 PHE 329 HB2 0.06 -0.06 0.09 -0.04 3.15 3.20 3hs7B1 PHE 329 HB3 0.01 0.02 0.16 -0.04 3.06 3.21 3hs7B1 PHE 329 HD2 0.06 0.10 -0.08 -0.04 7.28 7.32 3hs7B1 PHE 329 HE2 -0.03 -0.00 -0.06 -0.04 7.38 7.24 3hs7B1 PHE 329 HZ -0.17 0.02 -0.03 -0.04 7.32 7.10 3hs7B1 GLN 330 H 0.11 0.56 -0.03 -0.55 8.47 8.57 3hs7B1 GLN 330 HA -0.24 0.00 0.34 -0.75 4.36 3.71 3hs7B1 GLN 330 HB2 -0.07 0.02 0.19 -0.04 2.15 2.25 3hs7B1 GLN 330 HB3 -0.05 -0.02 0.02 -0.04 2.02 1.92 3hs7B1 GLN 330 HG2 0.19 0.18 0.10 -0.04 2.40 2.82 3hs7B1 GLN 330 HG3 0.03 -0.08 -0.02 -0.04 2.39 2.28 3hs7B1 GLN 330 HE21 0.22 0.00 -0.02 -0.04 6.97 7.13 3hs7B1 GLN 330 HE22 0.19 -0.04 -0.01 -0.04 7.69 7.79 3hs7B1 THR 331 H -0.07 0.69 -0.03 -0.55 8.28 8.32 3hs7B1 THR 331 HA 0.02 0.06 0.57 -0.75 4.39 4.29 3hs7B1 THR 331 HB -0.01 0.08 0.10 -0.04 4.32 4.45 3hs7B1 THR 331 HG23 -0.16 -0.02 0.02 -0.04 1.22 1.02 3hs7B1 SER 332 H -0.01 0.55 -0.16 -0.55 8.46 8.30 3hs7B1 SER 332 HA 0.05 -0.01 0.55 -0.75 4.49 4.33 3hs7B1 SER 332 HB2 -0.21 0.19 0.21 -0.04 3.95 4.10 3hs7B1 SER 332 HB3 -0.34 -0.07 0.06 -0.04 3.93 3.53 3hs7B1 ARG 333 H -0.29 0.65 -0.05 -0.55 8.46 8.22 3hs7B1 ARG 333 HA -0.03 -0.03 0.47 -0.75 4.34 3.99 3hs7B1 ARG 333 HB2 -1.15 0.02 0.12 -0.04 1.90 0.85 3hs7B1 ARG 333 HB3 -0.41 0.21 0.19 -0.04 1.80 1.75 3hs7B1 ARG 333 HG2 -0.17 -0.01 -0.19 -0.04 1.67 1.26 3hs7B1 ARG 333 HG3 -0.37 -0.07 0.01 -0.04 1.67 1.20 3hs7B1 ARG 333 HD2 -0.93 -0.01 -0.01 -0.04 3.22 2.23 3hs7B1 ARG 333 HD3 -0.26 -0.02 -0.01 -0.04 3.22 2.88 3hs7B1 LEU 334 H 0.01 0.45 -0.16 -0.55 8.37 8.13 3hs7B1 LEU 334 HA 0.19 -0.01 0.38 -0.75 4.35 4.15 3hs7B1 LEU 334 HB2 0.20 0.14 0.19 -0.04 1.64 2.13 3hs7B1 LEU 334 HB3 0.40 -0.03 0.00 -0.04 1.64 1.97 3hs7B1 LEU 334 HG 0.04 0.13 0.08 -0.04 1.64 1.85 3hs7B1 LEU 334 HD13 0.02 -0.01 0.03 -0.04 0.93 0.93 3hs7B1 LEU 334 HD23 0.16 -0.03 -0.00 -0.04 0.89 0.99 3hs7B1 ILE 335 H 0.22 0.55 -0.17 -0.55 8.25 8.30 3hs7B1 ILE 335 HA 0.13 0.01 0.53 -0.75 4.18 4.10 3hs7B1 ILE 335 HB 0.15 0.11 0.22 -0.04 1.89 2.33 3hs7B1 ILE 335 HG12 0.18 0.02 0.05 -0.04 1.49 1.71 3hs7B1 ILE 335 HG13 0.37 0.05 0.09 -0.04 1.21 1.69 3hs7B1 ILE 335 HG23 0.11 -0.03 -0.10 -0.04 0.93 0.88 3hs7B1 ILE 335 HD13 0.20 0.02 -0.01 -0.04 0.88 1.05 3hs7B1 LEU 336 H 0.19 0.70 -0.04 -0.55 8.37 8.67 3hs7B1 LEU 336 HA 0.29 -0.02 0.34 -0.75 4.35 4.20 3hs7B1 LEU 336 HB2 0.27 0.11 0.10 -0.04 1.64 2.08 3hs7B1 LEU 336 HB3 0.20 -0.10 0.03 -0.04 1.64 1.73 3hs7B1 LEU 336 HG 0.36 0.11 -0.03 -0.04 1.64 2.04 3hs7B1 LEU 336 HD13 0.50 -0.04 -0.01 -0.04 0.93 1.34 3hs7B1 LEU 336 HD23 0.27 -0.01 -0.11 -0.04 0.89 1.00 3hs7B1 ILE 337 H 0.16 0.64 -0.20 -0.55 8.25 8.30 3hs7B1 ILE 337 HA 0.07 -0.05 0.49 -0.75 4.18 3.93 3hs7B1 ILE 337 HB 0.18 0.15 0.13 -0.04 1.89 2.31 3hs7B1 ILE 337 HG12 0.09 -0.14 -0.19 -0.04 1.49 1.21 3hs7B1 ILE 337 HG13 0.12 0.16 -0.03 -0.04 1.21 1.41 3hs7B1 ILE 337 HG23 0.13 -0.01 -0.07 -0.04 0.93 0.93 3hs7B1 ILE 337 HD13 0.07 0.01 -0.06 -0.04 0.88 0.86 3hs7B1 GLY 338 H 0.20 0.52 -0.17 -0.55 8.43 8.43 3hs7B1 GLY 338 HA2 0.23 -0.01 0.39 -0.51 4.01 4.12 3hs7B1 GLY 338 HA3 0.20 0.09 0.33 -0.51 4.01 4.11 3hs7B1 GLU 339 H 0.17 0.70 0.01 -0.55 8.60 8.94 3hs7B1 GLU 339 HA 0.17 0.10 0.45 -0.75 4.29 4.26 3hs7B1 GLU 339 HB2 0.38 0.07 0.11 -0.04 2.09 2.61 3hs7B1 GLU 339 HB3 0.35 -0.10 -0.04 -0.04 1.99 2.16 3hs7B1 GLU 339 HG2 0.15 0.12 -0.05 -0.04 2.34 2.51 3hs7B1 GLU 339 HG3 0.17 0.15 -0.11 -0.04 2.34 2.51 3hs7B1 THR 340 H 0.15 0.57 -0.33 -0.55 8.28 8.12 3hs7B1 THR 340 HA 0.31 -0.05 0.32 -0.75 4.39 4.22 3hs7B1 THR 340 HB 0.02 0.15 0.16 -0.04 4.32 4.60 3hs7B1 THR 340 HG23 0.01 -0.04 -0.07 -0.04 1.22 1.07 3hs7B1 ILE 341 H -0.03 0.60 -0.08 -0.55 8.25 8.19 3hs7B1 ILE 341 HA -0.16 -0.05 0.37 -0.75 4.18 3.58 3hs7B1 ILE 341 HB -0.46 0.12 0.11 -0.04 1.89 1.62 3hs7B1 ILE 341 HG12 -0.01 -0.10 0.05 -0.04 1.49 1.39 3hs7B1 ILE 341 HG13 0.00 0.17 0.12 -0.04 1.21 1.46 3hs7B1 ILE 341 HG23 -0.68 -0.01 -0.12 -0.04 0.93 0.07 3hs7B1 ILE 341 HD13 0.06 0.04 0.02 -0.04 0.88 0.96 3hs7B1 LYS 342 H -0.19 0.67 -0.20 -0.55 8.42 8.15 3hs7B1 LYS 342 HA -0.14 -0.04 0.43 -0.75 4.32 3.82 3hs7B1 LYS 342 HB2 0.22 0.04 0.09 -0.04 1.87 2.19 3hs7B1 LYS 342 HB3 0.10 0.08 0.18 -0.04 1.79 2.12 3hs7B1 LYS 342 HG2 0.12 0.04 0.00 -0.04 1.46 1.59 3hs7B1 LYS 342 HG3 0.11 -0.14 -0.21 -0.04 1.46 1.19 3hs7B1 LYS 342 HD2 0.45 -0.12 0.06 -0.04 1.69 2.05 3hs7B1 LYS 342 HD3 0.24 0.07 0.03 -0.04 1.68 1.98 3hs7B1 LYS 342 HE2 0.14 -0.17 0.04 -0.04 2.99 2.96 3hs7B1 LYS 342 HE3 0.14 0.01 0.08 -0.04 2.99 3.17 3hs7B1 ILE 343 H 0.09 0.73 -0.11 -0.55 8.25 8.40 3hs7B1 ILE 343 HA 0.08 -0.00 0.35 -0.75 4.18 3.86 3hs7B1 ILE 343 HB 0.27 0.15 0.06 -0.04 1.89 2.33 3hs7B1 ILE 343 HG12 0.09 -0.29 -0.37 -0.04 1.49 0.87 3hs7B1 ILE 343 HG13 0.15 0.20 -0.14 -0.04 1.21 1.38 3hs7B1 ILE 343 HG23 0.04 -0.06 -0.14 -0.04 0.93 0.73 3hs7B1 ILE 343 HD13 0.27 -0.01 -0.20 -0.04 0.88 0.90 3hs7B1 VAL 344 H -0.02 0.78 -0.10 -0.55 8.24 8.34 3hs7B1 VAL 344 HA 0.00 -0.08 0.40 -0.75 4.13 3.71 3hs7B1 VAL 344 HB -0.17 0.13 0.09 -0.04 2.12 2.13 3hs7B1 VAL 344 HG13 -0.10 -0.02 -0.12 -0.04 0.97 0.70 3hs7B1 VAL 344 HG23 -0.89 0.06 -0.03 -0.04 0.95 0.05 3hs7B1 ILE 345 H -0.02 0.59 -0.22 -0.55 8.25 8.04 3hs7B1 ILE 345 HA 0.10 0.03 0.50 -0.75 4.18 4.06 3hs7B1 ILE 345 HB 0.03 0.13 0.08 -0.04 1.89 2.08 3hs7B1 ILE 345 HG12 0.08 -0.03 -0.06 -0.04 1.49 1.43 3hs7B1 ILE 345 HG13 0.00 -0.04 -0.06 -0.04 1.21 1.07 3hs7B1 ILE 345 HG23 0.11 0.01 -0.38 -0.04 0.93 0.63 3hs7B1 ILE 345 HD13 0.02 0.01 -0.07 -0.04 0.88 0.80 3hs7B1 GLU 346 H 0.07 0.61 -0.01 -0.55 8.60 8.72 3hs7B1 GLU 346 HA 0.05 0.12 0.32 -0.75 4.29 4.03 3hs7B1 GLU 346 HB2 0.07 0.13 0.08 -0.04 2.09 2.34 3hs7B1 GLU 346 HB3 0.04 0.01 0.10 -0.04 1.99 2.10 3hs7B1 GLU 346 HG2 0.07 0.02 -0.32 -0.04 2.34 2.06 3hs7B1 GLU 346 HG3 0.13 0.01 0.02 -0.04 2.34 2.45 3hs7B1 ASP 347 H 0.13 0.31 -0.18 -0.55 8.40 8.13 3hs7B1 ASP 347 HA 0.13 0.23 0.96 -0.75 4.63 5.20 3hs7B1 ASP 347 HB2 0.22 0.14 0.20 -0.04 2.71 3.23 3hs7B1 ASP 347 HB3 0.14 -0.08 0.06 -0.04 2.70 2.77 3hs7B1 TYR 348 H 0.28 0.51 0.15 -0.55 8.29 8.68 3hs7B1 TYR 348 HA -0.08 0.01 0.33 -0.75 4.56 4.06 3hs7B1 TYR 348 HB2 -0.34 -0.05 0.06 -0.04 3.06 2.69 3hs7B1 TYR 348 HB3 -0.01 0.17 0.32 -0.04 2.98 3.42 3hs7B1 TYR 348 HD2 -0.34 0.02 -0.06 -0.04 7.15 6.74 3hs7B1 TYR 348 HE2 -0.05 0.01 -0.04 -0.04 6.85 6.73 3hs7B1 VAL 349 H 0.28 0.92 0.21 -0.55 8.24 9.10 3hs7B1 VAL 349 HA 0.10 -0.00 0.49 -0.75 4.13 3.97 3hs7B1 VAL 349 HB 0.15 0.14 0.22 -0.04 2.12 2.58 3hs7B1 VAL 349 HG13 0.07 -0.01 -0.10 -0.04 0.97 0.89 3hs7B1 VAL 349 HG23 0.33 0.00 -0.01 -0.04 0.95 1.23 3hs7B1 GLN 350 H 0.09 0.23 -0.40 -0.55 8.47 7.85 3hs7B1 GLN 350 HA -0.05 0.01 0.34 -0.75 4.36 3.90 3hs7B1 GLN 350 HB2 0.03 0.04 -0.03 -0.04 2.15 2.15 3hs7B1 GLN 350 HB3 0.08 -0.00 -0.29 -0.04 2.02 1.77 3hs7B1 GLN 350 HG2 0.01 0.06 -0.01 -0.04 2.40 2.42 3hs7B1 GLN 350 HG3 0.01 0.01 -0.29 -0.04 2.39 2.07 3hs7B1 GLN 350 HE21 -0.03 0.29 -0.16 -0.04 6.97 7.03 3hs7B1 GLN 350 HE22 -0.03 0.03 -0.10 -0.04 7.69 7.54 3hs7B1 HIS 351 H 0.16 0.50 -0.30 -0.55 8.41 8.23 3hs7B1 HIS 351 HA -0.07 0.04 0.37 -0.75 4.63 4.22 3hs7B1 HIS 351 HB2 0.09 -0.08 0.09 -0.04 3.26 3.32 3hs7B1 HIS 351 HB3 0.04 0.12 0.18 -0.04 3.20 3.50 3hs7B1 HIS 351 HD2 -0.88 -0.02 -0.10 -0.04 6.97 5.93 3hs7B1 HIS 351 HE1 -0.17 0.12 -0.31 -0.04 7.75 7.34 3hs7B1 LEU 352 H -0.07 0.43 -0.09 -0.55 8.37 8.10 3hs7B1 LEU 352 HA -0.43 -0.06 0.41 -0.75 4.35 3.52 3hs7B1 LEU 352 HB2 -0.02 0.09 0.22 -0.04 1.64 1.90 3hs7B1 LEU 352 HB3 0.05 -0.06 -0.05 -0.04 1.64 1.54 3hs7B1 LEU 352 HG 0.05 0.08 0.05 -0.04 1.64 1.79 3hs7B1 LEU 352 HD13 0.33 -0.03 -0.06 -0.04 0.93 1.14 3hs7B1 LEU 352 HD23 0.11 -0.02 0.00 -0.04 0.89 0.93 3hs7B1 SER 353 H -0.22 0.75 -0.07 -0.55 8.46 8.38 3hs7B1 SER 353 HA -0.36 -0.07 0.31 -0.75 4.49 3.62 3hs7B1 SER 353 HB2 -2.19 -0.08 0.05 -0.04 3.95 1.69 3hs7B1 SER 353 HB3 -0.53 0.02 0.08 -0.04 3.93 3.46 3hs7B1 GLY 354 H -0.29 0.40 -0.31 -0.55 8.43 7.68 3hs7B1 GLY 354 HA2 -0.21 0.05 0.30 -0.51 4.01 3.63 3hs7B1 GLY 354 HA3 -0.18 0.04 0.56 -0.51 4.01 3.92 3hs7B1 TYR 355 H -0.29 -0.01 -0.30 -0.55 8.29 7.15 3hs7B1 TYR 355 HA -0.37 0.18 0.32 -0.75 4.56 3.93 3hs7B1 TYR 355 HB2 -0.13 0.10 0.03 -0.04 3.06 3.02 3hs7B1 TYR 355 HB3 -0.29 -0.19 0.10 -0.04 2.98 2.56 3hs7B1 TYR 355 HD2 -0.10 0.05 -0.20 -0.04 7.15 6.86 3hs7B1 TYR 355 HE2 0.05 -0.00 -0.04 -0.04 6.85 6.82 3hs7B1 HIS 356 H -0.38 0.63 0.34 -0.55 8.41 8.46 3hs7B1 HIS 356 HA -0.02 0.12 0.68 -0.75 4.63 4.65 3hs7B1 HIS 356 HB2 -0.08 0.04 0.02 -0.04 3.26 3.20 3hs7B1 HIS 356 HB3 0.15 -0.09 0.02 -0.04 3.20 3.24 3hs7B1 HIS 356 HD2 0.21 0.25 -0.52 -0.04 6.97 6.86 3hs7B1 HIS 356 HE1 -0.07 -0.02 -0.02 -0.04 7.75 7.60 3hs7B1 PHE 357 H -0.41 0.08 -0.02 -0.55 8.34 7.44 3hs7B1 PHE 357 HA -0.09 0.03 0.49 -0.75 4.62 4.29 3hs7B1 PHE 357 HB2 -1.67 -0.02 0.05 -0.04 3.15 1.47 3hs7B1 PHE 357 HB3 -0.65 -0.01 0.05 -0.04 3.06 2.41 3hs7B1 PHE 357 HD2 0.06 -0.04 -0.14 -0.04 7.28 7.13 3hs7B1 PHE 357 HE2 0.08 -0.05 -0.09 -0.04 7.38 7.28 3hs7B1 PHE 357 HZ 0.05 0.03 0.02 -0.04 7.32 7.38 3hs7B1 LYS 358 H -0.35 0.11 0.11 -0.55 8.42 7.74 3hs7B1 LYS 358 HA -0.21 0.11 0.62 -0.75 4.32 4.08 3hs7B1 LYS 358 HB2 -0.17 -0.06 0.19 -0.04 1.87 1.79 3hs7B1 LYS 358 HB3 -0.18 0.07 0.02 -0.04 1.79 1.66 3hs7B1 LYS 358 HG2 -0.07 0.04 0.03 -0.04 1.46 1.41 3hs7B1 LYS 358 HG3 -0.04 0.02 0.01 -0.04 1.46 1.40 3hs7B1 LEU 359 H -0.18 0.18 0.13 -0.55 8.37 7.95 3hs7B1 LEU 359 HA -0.18 0.02 0.40 -0.75 4.35 3.85 3hs7B1 LEU 359 HB2 0.00 0.04 -0.04 -0.04 1.64 1.60 3hs7B1 LEU 359 HB3 0.05 -0.03 -0.06 -0.04 1.64 1.56 3hs7B1 LEU 359 HG 0.04 0.09 0.02 -0.04 1.64 1.75 3hs7B1 LEU 359 HD13 0.04 -0.01 -0.10 -0.04 0.93 0.82 3hs7B1 LEU 359 HD23 0.29 -0.01 -0.08 -0.04 0.89 1.06 3hs7B1 LYS 360 H 0.03 0.19 0.11 -0.55 8.42 8.19 3hs7B1 LYS 360 HA 0.03 0.17 0.81 -0.75 4.32 4.58 3hs7B1 LYS 360 HB2 -0.03 0.11 -0.20 -0.04 1.87 1.71 3hs7B1 LYS 360 HB3 0.02 -0.06 -0.02 -0.04 1.79 1.70 3hs7B1 LYS 360 HG2 -0.01 -0.02 -0.40 -0.04 1.46 0.99 3hs7B1 LYS 360 HG3 0.01 0.05 -0.04 -0.04 1.46 1.45 3hs7B1 LYS 360 HD2 0.01 0.04 -0.10 -0.04 1.69 1.61 3hs7B1 LYS 360 HD3 0.02 -0.05 -0.13 -0.04 1.68 1.49 3hs7B1 PHE 361 H 0.17 0.23 0.05 -0.55 8.34 8.24 3hs7B1 PHE 361 HA -0.05 0.11 0.80 -0.75 4.62 4.74 3hs7B1 PHE 361 HB2 0.01 0.00 0.05 -0.04 3.15 3.17 3hs7B1 PHE 361 HB3 0.02 0.04 0.18 -0.04 3.06 3.26 3hs7B1 PHE 361 HD2 -0.00 0.02 -0.06 -0.04 7.28 7.20 3hs7B1 PHE 361 HE2 0.02 0.03 -0.11 -0.04 7.38 7.28 3hs7B1 PHE 361 HZ -0.18 0.02 -0.11 -0.04 7.32 7.00 3hs7B1 ASP 362 H -0.19 0.27 -0.12 -0.55 8.40 7.82 3hs7B1 ASP 362 HA -0.51 0.18 0.55 -0.75 4.63 4.10 3hs7B1 ASP 362 HB2 -0.10 0.11 -0.22 -0.04 2.71 2.46 3hs7B1 ASP 362 HB3 -0.13 -0.00 0.03 -0.04 2.70 2.56 3hs7B1 PRO 363 HA -0.48 0.11 0.47 -0.51 4.44 4.03 3hs7B1 PRO 363 HB2 -1.27 0.00 0.03 -0.04 2.28 1.00 3hs7B1 PRO 363 HB3 -0.50 0.32 0.19 -0.04 2.02 1.99 3hs7B1 PRO 363 HG2 -2.97 0.10 0.03 -0.04 2.03 -0.85 3hs7B1 PRO 363 HG3 -1.00 0.05 0.02 -0.04 2.03 1.06 3hs7B1 PRO 363 HD2 -1.45 0.11 0.11 -0.04 3.68 2.42 3hs7B1 PRO 363 HD3 -1.89 0.12 -0.14 -0.04 3.65 1.70 3hs7B1 GLU 364 H -0.51 0.12 -0.25 -0.55 8.60 7.41 3hs7B1 GLU 364 HA -1.78 0.09 0.36 -0.75 4.29 2.20 3hs7B1 GLU 364 HB2 -0.08 -0.01 0.02 -0.04 2.09 1.97 3hs7B1 GLU 364 HB3 -0.06 0.01 -0.03 -0.04 1.99 1.87 3hs7B1 GLU 364 HG2 0.32 -0.00 0.05 -0.04 2.34 2.66 3hs7B1 GLU 364 HG3 0.33 0.04 0.02 -0.04 2.34 2.69 3hs7B1 LEU 365 H -0.33 0.40 -0.49 -0.55 8.37 7.40 3hs7B1 LEU 365 HA -0.09 0.03 0.41 -0.75 4.35 3.94 3hs7B1 LEU 365 HB2 -0.16 0.16 0.06 -0.04 1.64 1.66 3hs7B1 LEU 365 HB3 -0.07 -0.02 0.02 -0.04 1.64 1.52 3hs7B1 LEU 365 HG -0.10 -0.06 0.01 -0.04 1.64 1.44 3hs7B1 LEU 365 HD13 -0.02 -0.00 -0.05 -0.04 0.93 0.81 3hs7B1 LEU 365 HD23 -0.01 -0.00 0.00 -0.04 0.89 0.83 3hs7B1 LEU 366 H -0.32 0.50 -0.18 -0.55 8.37 7.83 3hs7B1 LEU 366 HA -0.05 0.13 0.67 -0.75 4.35 4.35 3hs7B1 LEU 366 HB2 -0.09 0.15 0.05 -0.04 1.64 1.71 3hs7B1 LEU 366 HB3 -0.14 -0.00 0.04 -0.04 1.64 1.49 3hs7B1 LEU 366 HG -0.26 -0.07 -0.11 -0.04 1.64 1.16 3hs7B1 LEU 366 HD13 -0.87 0.01 -0.07 -0.04 0.93 -0.04 3hs7B1 LEU 366 HD23 -0.28 0.01 -0.13 -0.04 0.89 0.45 3hs7B1 PHE 367 H -0.05 0.29 -0.32 -0.55 8.34 7.70 3hs7B1 PHE 367 HA 0.15 0.11 0.37 -0.75 4.62 4.49 3hs7B1 PHE 367 HB2 0.09 0.10 0.09 -0.04 3.15 3.39 3hs7B1 PHE 367 HB3 0.10 -0.06 0.08 -0.04 3.06 3.14 3hs7B1 PHE 367 HD2 0.15 -0.01 -0.05 -0.04 7.28 7.33 3hs7B1 PHE 367 HE2 0.16 0.16 -0.03 -0.04 7.38 7.63 3hs7B1 PHE 367 HZ 0.20 0.04 -0.25 -0.04 7.32 7.27 3hs7B1 ASN 368 H 0.15 0.17 -0.34 -0.55 8.53 7.96 3hs7B1 ASN 368 HA 0.13 0.18 0.85 -0.75 4.76 5.17 3hs7B1 ASN 368 HB2 0.09 -0.04 0.17 -0.04 2.88 3.05 3hs7B1 ASN 368 HB3 0.12 -0.03 0.00 -0.04 2.79 2.83 3hs7B1 ASN 368 HD21 0.07 0.00 -0.01 -0.04 7.03 7.05 3hs7B1 ASN 368 HD22 0.08 -0.06 0.01 -0.04 7.74 7.73 3hs7B1 GLN 369 H 0.14 0.52 -0.36 -0.55 8.47 8.22 3hs7B1 GLN 369 HA 0.07 0.09 0.84 -0.75 4.36 4.61 3hs7B1 GLN 369 HB2 0.06 0.11 -0.03 -0.04 2.15 2.24 3hs7B1 GLN 369 HB3 0.06 0.02 -0.02 -0.04 2.02 2.04 3hs7B1 GLN 369 HG2 0.05 -0.14 -0.32 -0.04 2.40 1.95 3hs7B1 GLN 369 HG3 0.01 0.05 -0.02 -0.04 2.39 2.38 3hs7B1 GLN 369 HE21 0.05 -0.07 -0.03 -0.04 6.97 6.88 3hs7B1 GLN 369 HE22 0.05 -0.03 -0.13 -0.04 7.69 7.54 3hs7B1 GLN 370 H 0.07 0.10 0.11 -0.55 8.47 8.21 3hs7B1 GLN 370 HA 0.07 0.08 0.69 -0.75 4.36 4.45 3hs7B1 GLN 370 HB2 0.05 -0.00 0.18 -0.04 2.15 2.33 3hs7B1 GLN 370 HB3 0.03 0.03 0.02 -0.04 2.02 2.06 3hs7B1 GLN 370 HG2 0.04 0.02 -0.00 -0.04 2.40 2.42 3hs7B1 GLN 370 HG3 0.05 -0.03 0.03 -0.04 2.39 2.39 3hs7B1 GLN 370 HE21 0.01 -0.03 -0.00 -0.04 6.97 6.91 3hs7B1 GLN 370 HE22 0.02 -0.00 -0.01 -0.04 7.69 7.66 3hs7B1 PHE 371 H 0.07 0.27 0.17 -0.55 8.34 8.30 3hs7B1 PHE 371 HA -0.10 0.10 0.63 -0.75 4.62 4.49 3hs7B1 PHE 371 HB2 -0.09 0.03 -0.36 -0.04 3.15 2.68 3hs7B1 PHE 371 HB3 -0.26 0.04 -0.10 -0.04 3.06 2.69 3hs7B1 PHE 371 HD2 -0.63 -0.01 -0.19 -0.04 7.28 6.40 3hs7B1 PHE 371 HE2 -0.08 0.06 -0.32 -0.04 7.38 7.01 3hs7B1 PHE 371 HZ -0.03 -0.05 -0.12 -0.04 7.32 7.08 3hs7B1 GLN 372 H -0.84 0.23 0.10 -0.55 8.47 7.41 3hs7B1 GLN 372 HA -0.25 0.07 0.76 -0.75 4.36 4.18 3hs7B1 GLN 372 HB2 -0.36 0.07 0.13 -0.04 2.15 1.95 3hs7B1 GLN 372 HB3 -0.18 -0.02 -0.09 -0.04 2.02 1.69 3hs7B1 GLN 372 HG2 -0.18 -0.06 -0.05 -0.04 2.40 2.06 3hs7B1 GLN 372 HG3 -0.13 0.31 -0.05 -0.04 2.39 2.47 3hs7B1 GLN 372 HE21 -0.03 -0.06 -0.06 -0.04 6.97 6.78 3hs7B1 GLN 372 HE22 -0.06 -0.01 -0.14 -0.04 7.69 7.43 3hs7B1 TYR 373 H -0.02 0.13 0.09 -0.55 8.29 7.93 3hs7B1 TYR 373 HA 0.04 0.16 0.61 -0.75 4.56 4.61 3hs7B1 TYR 373 HB2 0.06 -0.10 0.18 -0.04 3.06 3.15 3hs7B1 TYR 373 HB3 0.08 0.03 -0.03 -0.04 2.98 3.02 3hs7B1 TYR 373 HD2 0.21 0.10 -0.03 -0.04 7.15 7.39 3hs7B1 TYR 373 HE2 0.20 0.02 -0.08 -0.04 6.85 6.95 3hs7B1 GLN 374 H -0.13 0.66 -0.07 -0.55 8.47 8.39 3hs7B1 GLN 374 HA 0.01 0.10 0.49 -0.75 4.36 4.21 3hs7B1 GLN 374 HB2 -0.03 0.01 0.02 -0.04 2.15 2.11 3hs7B1 GLN 374 HB3 0.01 0.05 -0.06 -0.04 2.02 1.98 3hs7B1 GLN 374 HG2 -0.08 -0.13 -0.35 -0.04 2.40 1.80 3hs7B1 GLN 374 HG3 -0.09 0.04 -0.24 -0.04 2.39 2.06 3hs7B1 GLN 374 HE21 0.01 -0.03 -0.07 -0.04 6.97 6.84 3hs7B1 GLN 374 HE22 -0.03 -0.04 -0.14 -0.04 7.69 7.44 3hs7B1 ASN 375 H -0.02 0.25 0.16 -0.55 8.53 8.37 3hs7B1 ASN 375 HA -0.05 0.13 0.71 -0.75 4.76 4.79 3hs7B1 ASN 375 HB2 -0.01 0.06 -0.28 -0.04 2.88 2.62 3hs7B1 ASN 375 HB3 -0.01 0.17 0.04 -0.04 2.79 2.95 3hs7B1 ASN 375 HD21 -0.08 -0.12 -0.12 -0.04 7.03 6.67 3hs7B1 ASN 375 HD22 -0.07 0.24 -0.00 -0.04 7.74 7.86 3hs7B1 ARG 376 H -0.04 0.25 0.09 -0.55 8.46 8.21 3hs7B1 ARG 376 HA -0.24 0.14 0.65 -0.75 4.34 4.14 3hs7B1 ARG 376 HB2 -0.20 0.04 -0.07 -0.04 1.90 1.63 3hs7B1 ARG 376 HB3 -0.10 -0.06 0.08 -0.04 1.80 1.68 3hs7B1 ARG 376 HG2 -0.23 -0.00 -0.04 -0.04 1.67 1.35 3hs7B1 ARG 376 HG3 -0.28 -0.02 -0.04 -0.04 1.67 1.29 3hs7B1 ARG 376 HD2 -0.71 0.08 0.02 -0.04 3.22 2.58 3hs7B1 ARG 376 HD3 -1.41 -0.01 0.14 -0.04 3.22 1.91 3hs7B1 ILE 377 H 0.53 0.17 0.10 -0.55 8.25 8.50 3hs7B1 ILE 377 HA 0.15 0.02 0.42 -0.75 4.18 4.02 3hs7B1 ILE 377 HB 0.39 0.01 0.15 -0.04 1.89 2.40 3hs7B1 ILE 377 HG12 0.14 -0.01 -0.02 -0.04 1.49 1.56 3hs7B1 ILE 377 HG13 0.07 0.06 0.01 -0.04 1.21 1.31 3hs7B1 ILE 377 HG23 0.50 0.02 -0.14 -0.04 0.93 1.27 3hs7B1 ILE 377 HD13 -0.22 -0.01 -0.19 -0.04 0.88 0.43 3hs7B1 ALA 378 H 0.00 0.13 0.22 -0.55 8.40 8.20 3hs7B1 ALA 378 HA 0.05 0.26 0.61 -0.75 4.34 4.50 3hs7B1 ALA 378 HB3 -0.33 -0.02 0.07 -0.04 1.41 1.09 3hs7B1 SER 379 H 0.01 0.93 0.28 -0.55 8.46 9.14 3hs7B1 SER 379 HA -0.46 0.07 0.46 -0.75 4.49 3.81 3hs7B1 SER 379 HB2 0.05 0.13 0.11 -0.04 3.95 4.20 3hs7B1 SER 379 HB3 0.00 -0.02 0.13 -0.04 3.93 4.00 3hs7B1 GLU 380 H -0.11 0.11 -0.09 -0.55 8.60 7.96 3hs7B1 GLU 380 HA -0.02 0.07 0.44 -0.75 4.29 4.03 3hs7B1 GLU 380 HB2 0.04 0.01 0.03 -0.04 2.09 2.13 3hs7B1 GLU 380 HB3 -0.13 0.05 -0.01 -0.04 1.99 1.86 3hs7B1 GLU 380 HG2 -0.47 0.09 0.01 -0.04 2.34 1.93 3hs7B1 GLU 380 HG3 -0.70 0.02 0.00 -0.04 2.34 1.63 3hs7B1 PHE 381 H -0.32 0.09 -0.36 -0.55 8.34 7.20 3hs7B1 PHE 381 HA -0.16 0.10 0.41 -0.75 4.62 4.21 3hs7B1 PHE 381 HB2 -1.38 -0.03 0.08 -0.04 3.15 1.78 3hs7B1 PHE 381 HB3 -0.27 0.16 0.08 -0.04 3.06 3.00 3hs7B1 PHE 381 HD2 0.11 -0.02 -0.02 -0.04 7.28 7.31 3hs7B1 PHE 381 HE2 0.04 0.01 -0.08 -0.04 7.38 7.31 3hs7B1 PHE 381 HZ 0.29 -0.03 -0.13 -0.04 7.32 7.41 3hs7B1 ASN 382 H -0.36 0.39 -0.20 -0.55 8.53 7.81 3hs7B1 ASN 382 HA -2.08 0.04 0.41 -0.75 4.76 2.38 3hs7B1 ASN 382 HB2 -0.86 0.01 0.06 -0.04 2.88 2.05 3hs7B1 ASN 382 HB3 -0.65 0.22 0.16 -0.04 2.79 2.48 3hs7B1 ASN 382 HD21 -0.17 -0.07 -0.08 -0.04 7.03 6.67 3hs7B1 ASN 382 HD22 -0.47 0.09 -0.03 -0.04 7.74 7.29 3hs7B1 THR 383 H -0.31 0.43 -0.18 -0.55 8.28 7.68 3hs7B1 THR 383 HA -0.79 0.00 0.31 -0.75 4.39 3.16 3hs7B1 THR 383 HB -0.03 0.07 0.14 -0.04 4.32 4.45 3hs7B1 THR 383 HG23 -0.21 -0.02 -0.07 -0.04 1.22 0.87 3hs7B1 LEU 384 H -0.06 0.64 -0.12 -0.55 8.37 8.28 3hs7B1 LEU 384 HA 0.13 -0.00 0.37 -0.75 4.35 4.10 3hs7B1 LEU 384 HB2 0.09 -0.07 0.06 -0.04 1.64 1.68 3hs7B1 LEU 384 HB3 0.05 -0.03 0.04 -0.04 1.64 1.66 3hs7B1 LEU 384 HG 0.15 0.18 0.09 -0.04 1.64 2.02 3hs7B1 LEU 384 HD13 0.20 -0.01 -0.24 -0.04 0.93 0.85 3hs7B1 LEU 384 HD23 0.27 -0.01 -0.19 -0.04 0.89 0.93 3hs7B1 TYR 385 H -0.14 0.34 -0.79 -0.55 8.29 7.15 3hs7B1 TYR 385 HA -0.85 0.11 0.59 -0.75 4.56 3.65 3hs7B1 TYR 385 HB2 -0.60 0.31 0.09 -0.04 3.06 2.82 3hs7B1 TYR 385 HB3 -0.49 -0.05 0.03 -0.04 2.98 2.43 3hs7B1 TYR 385 HD2 -0.83 0.00 0.02 -0.04 7.15 6.30 3hs7B1 TYR 385 HE2 -0.30 -0.03 -0.04 -0.04 6.85 6.44 3hs7B1 HIS 386 H 0.18 0.45 -0.38 -0.55 8.41 8.11 3hs7B1 HIS 386 HA -0.14 0.04 0.59 -0.75 4.63 4.37 3hs7B1 HIS 386 HB2 0.13 0.15 0.21 -0.04 3.26 3.71 3hs7B1 HIS 386 HB3 0.16 -0.14 0.12 -0.04 3.20 3.30 3hs7B1 HIS 386 HD2 -0.30 0.22 -0.11 -0.04 6.97 6.74 3hs7B1 HIS 386 HE1 -0.14 -0.05 -0.06 -0.04 7.75 7.45 3hs7B1 TRP 387 H 0.05 0.52 -0.09 -0.55 7.97 7.90 3hs7B1 TRP 387 HA 0.12 0.18 0.40 -0.75 4.62 4.57 3hs7B1 TRP 387 HB2 0.12 0.01 0.13 -0.04 3.23 3.45 3hs7B1 TRP 387 HB3 0.16 -0.04 0.12 -0.04 3.23 3.43 3hs7B1 TRP 387 HD1 0.05 0.01 -0.39 -0.04 7.22 6.85 3hs7B1 TRP 387 HE1 -0.37 0.19 0.03 -0.04 10.20 10.01 3hs7B1 TRP 387 HE3 0.28 -0.04 -0.00 -0.04 7.59 7.78 3hs7B1 TRP 387 HZ2 -0.70 -0.00 -0.07 -0.04 7.44 6.62 3hs7B1 TRP 387 HZ3 0.35 -0.03 -0.03 -0.04 7.13 7.38 3hs7B1 TRP 387 HH2 0.10 -0.01 -0.05 -0.04 7.19 7.18 3hs7B1 HIS 388 H 0.29 0.42 -0.24 -0.55 8.41 8.33 3hs7B1 HIS 388 HA 0.21 0.03 0.38 -0.75 4.63 4.49 3hs7B1 HIS 388 HB2 0.20 0.00 0.05 -0.04 3.26 3.48 3hs7B1 HIS 388 HB3 0.15 -0.03 0.05 -0.04 3.20 3.33 3hs7B1 HIS 388 HD2 0.15 -0.01 -0.03 -0.04 6.97 7.04 3hs7B1 HIS 388 HE1 -0.12 0.02 -0.08 -0.04 7.75 7.52 3hs7B1 PRO 389 HA 0.14 0.30 0.47 -0.51 4.44 4.83 3hs7B1 PRO 389 HB2 0.05 -0.01 -0.24 -0.04 2.28 2.04 3hs7B1 PRO 389 HB3 0.04 0.19 -0.05 -0.04 2.02 2.16 3hs7B1 PRO 389 HG2 0.07 0.23 0.07 -0.04 2.03 2.36 3hs7B1 PRO 389 HG3 0.09 -0.09 -0.13 -0.04 2.03 1.86 3hs7B1 PRO 389 HD2 0.24 0.04 -0.10 -0.04 3.68 3.82 3hs7B1 PRO 389 HD3 0.26 -0.02 0.09 -0.04 3.65 3.94 3hs7B1 LEU 390 H 0.21 0.31 -0.55 -0.55 8.37 7.79 3hs7B1 LEU 390 HA 0.10 0.20 0.48 -0.75 4.35 4.38 3hs7B1 LEU 390 HB2 0.23 0.18 0.11 -0.04 1.64 2.12 3hs7B1 LEU 390 HB3 0.16 -0.12 -0.03 -0.04 1.64 1.61 3hs7B1 LEU 390 HG 0.24 -0.01 0.01 -0.04 1.64 1.85 3hs7B1 LEU 390 HD13 0.56 -0.03 0.01 -0.04 0.93 1.43 3hs7B1 LEU 390 HD23 0.13 0.06 0.03 -0.04 0.89 1.08 3hs7B1 LEU 391 H 0.19 0.39 -0.18 -0.55 8.37 8.22 3hs7B1 LEU 391 HA 0.04 -0.01 0.34 -0.75 4.35 3.97 3hs7B1 LEU 391 HB2 0.30 0.09 0.16 -0.04 1.64 2.14 3hs7B1 LEU 391 HB3 0.40 0.01 0.02 -0.04 1.64 2.03 3hs7B1 LEU 391 HG 0.24 0.01 0.07 -0.04 1.64 1.92 3hs7B1 LEU 391 HD13 0.50 -0.03 0.01 -0.04 0.93 1.37 3hs7B1 LEU 391 HD23 0.18 -0.02 -0.05 -0.04 0.89 0.96 3hs7B1 PRO 392 HA -0.21 0.16 0.57 -0.51 4.44 4.45 3hs7B1 PRO 392 HB2 -0.46 -0.03 0.15 -0.04 2.28 1.90 3hs7B1 PRO 392 HB3 -0.30 0.19 0.15 -0.04 2.02 2.01 3hs7B1 PRO 392 HG2 -1.07 -0.05 -0.21 -0.04 2.03 0.67 3hs7B1 PRO 392 HG3 -0.38 0.01 0.04 -0.04 2.03 1.66 3hs7B1 PRO 392 HD2 -0.35 -0.03 0.13 -0.04 3.68 3.39 3hs7B1 PRO 392 HD3 -0.16 0.20 0.19 -0.04 3.65 3.84 3hs7B1 ASP 393 H -0.43 0.14 0.16 -0.55 8.40 7.72 3hs7B1 ASP 393 HA 0.04 0.04 0.56 -0.75 4.63 4.51 3hs7B1 ASP 393 HB2 -0.20 -0.01 0.14 -0.04 2.71 2.60 3hs7B1 ASP 393 HB3 -0.05 -0.04 0.02 -0.04 2.70 2.58 3hs7B1 THR 394 H -0.31 0.17 0.04 -0.55 8.28 7.64 3hs7B1 THR 394 HA -0.20 0.21 0.74 -0.75 4.39 4.38 3hs7B1 THR 394 HB -0.05 -0.03 -0.28 -0.04 4.32 3.92 3hs7B1 THR 394 HG23 -0.02 -0.03 -0.30 -0.04 1.22 0.83 3hs7B1 PHE 395 H 0.03 0.69 0.20 -0.55 8.34 8.70 3hs7B1 PHE 395 HA -0.13 0.17 0.84 -0.75 4.62 4.74 3hs7B1 PHE 395 HB2 -0.58 -0.05 0.13 -0.04 3.15 2.61 3hs7B1 PHE 395 HB3 -0.40 0.02 -0.04 -0.04 3.06 2.60 3hs7B1 PHE 395 HD2 -0.40 0.08 -0.11 -0.04 7.28 6.81 3hs7B1 PHE 395 HE2 -0.74 -0.04 -0.11 -0.04 7.38 6.45 3hs7B1 PHE 395 HZ -0.67 -0.01 -0.08 -0.04 7.32 6.52 3hs7B1 ASN 396 H 0.06 0.23 0.09 -0.55 8.53 8.35 3hs7B1 ASN 396 HA -0.05 0.24 0.65 -0.75 4.76 4.85 3hs7B1 ASN 396 HB2 -0.01 0.03 0.12 -0.04 2.88 2.97 3hs7B1 ASN 396 HB3 -0.05 0.06 -0.09 -0.04 2.79 2.67 3hs7B1 ASN 396 HD21 -0.11 -0.02 -0.02 -0.04 7.03 6.85 3hs7B1 ASN 396 HD22 -0.05 0.04 0.01 -0.04 7.74 7.70 3hs7B1 ILE 397 H -0.11 0.75 0.25 -0.55 8.25 8.59 3hs7B1 ILE 397 HA -0.32 0.13 0.88 -0.75 4.18 4.12 3hs7B1 ILE 397 HB -0.23 -0.03 0.07 -0.04 1.89 1.66 3hs7B1 ILE 397 HG12 -1.09 0.05 -0.16 -0.04 1.49 0.25 3hs7B1 ILE 397 HG13 -0.23 -0.06 -0.81 -0.04 1.21 0.06 3hs7B1 ILE 397 HG23 -0.77 0.01 -0.18 -0.04 0.93 -0.06 3hs7B1 ILE 397 HD13 -0.47 -0.01 -0.15 -0.04 0.88 0.20 3hs7B1 GLU 398 H -0.17 0.20 0.08 -0.55 8.60 8.17 3hs7B1 GLU 398 HA -0.05 0.07 0.34 -0.75 4.29 3.90 3hs7B1 GLU 398 HB2 0.04 0.09 0.33 -0.04 2.09 2.51 3hs7B1 GLU 398 HB3 0.04 0.01 0.19 -0.04 1.99 2.19 3hs7B1 GLU 398 HG2 0.00 0.02 0.06 -0.04 2.34 2.39 3hs7B1 GLU 398 HG3 -0.00 -0.02 -0.14 -0.04 2.34 2.13 3hs7B1 ASP 399 H 0.01 0.15 0.26 -0.55 8.40 8.27 3hs7B1 ASP 399 HA -0.03 0.20 0.74 -0.75 4.63 4.78 3hs7B1 ASP 399 HB2 0.01 -0.00 0.07 -0.04 2.71 2.75 3hs7B1 ASP 399 HB3 -0.02 -0.01 0.10 -0.04 2.70 2.74 3hs7B1 GLN 400 H -0.08 0.49 -0.01 -0.55 8.47 8.32 3hs7B1 GLN 400 HA -0.18 0.10 0.62 -0.75 4.36 4.15 3hs7B1 GLN 400 HB2 -0.28 0.09 0.15 -0.04 2.15 2.07 3hs7B1 GLN 400 HB3 -0.82 -0.01 -0.04 -0.04 2.02 1.11 3hs7B1 GLN 400 HG2 0.09 -0.11 0.04 -0.04 2.40 2.39 3hs7B1 GLN 400 HG3 0.26 0.02 0.02 -0.04 2.39 2.64 3hs7B1 GLN 400 HE21 0.02 0.01 -0.04 -0.04 6.97 6.91 3hs7B1 GLN 400 HE22 0.06 -0.01 -0.04 -0.04 7.69 7.66 3hs7B1 GLU 401 H -0.21 0.20 0.11 -0.55 8.60 8.16 3hs7B1 GLU 401 HA -0.12 0.22 0.70 -0.75 4.29 4.34 3hs7B1 GLU 401 HB2 -0.07 -0.03 -0.13 -0.04 2.09 1.81 3hs7B1 GLU 401 HB3 -0.09 0.06 -0.10 -0.04 1.99 1.82 3hs7B1 GLU 401 HG2 -0.08 0.05 0.05 -0.04 2.34 2.32 3hs7B1 GLU 401 HG3 -0.07 -0.04 0.12 -0.04 2.34 2.30 3hs7B1 TYR 402 H 0.11 0.66 0.10 -0.55 8.29 8.61 3hs7B1 TYR 402 HA 0.12 0.09 0.74 -0.75 4.56 4.75 3hs7B1 TYR 402 HB2 0.21 0.01 0.12 -0.04 3.06 3.36 3hs7B1 TYR 402 HB3 0.29 0.04 -0.08 -0.04 2.98 3.19 3hs7B1 TYR 402 HD2 0.14 0.08 -0.03 -0.04 7.15 7.30 3hs7B1 TYR 402 HE2 0.08 0.01 -0.03 -0.04 6.85 6.87 3hs7B1 SER 403 H 0.23 0.12 0.20 -0.55 8.46 8.46 3hs7B1 SER 403 HA 0.20 0.27 0.71 -0.75 4.49 4.91 3hs7B1 SER 403 HB2 0.20 -0.01 0.21 -0.04 3.95 4.31 3hs7B1 SER 403 HB3 0.14 0.12 0.15 -0.04 3.93 4.30 3hs7B1 PHE 404 H 0.55 0.25 0.21 -0.55 8.34 8.79 3hs7B1 PHE 404 HA 0.44 0.11 0.43 -0.75 4.62 4.85 3hs7B1 PHE 404 HB2 0.15 -0.05 0.19 -0.04 3.15 3.40 3hs7B1 PHE 404 HB3 0.18 0.06 -0.02 -0.04 3.06 3.24 3hs7B1 PHE 404 HD2 0.15 0.01 0.06 -0.04 7.28 7.47 3hs7B1 PHE 404 HE2 0.06 0.18 0.01 -0.04 7.38 7.60 3hs7B1 PHE 404 HZ 0.08 0.09 -0.06 -0.04 7.32 7.39 3hs7B1 LYS 405 H 0.29 0.06 -0.07 -0.55 8.42 8.15 3hs7B1 LYS 405 HA 0.20 0.13 0.45 -0.75 4.32 4.35 3hs7B1 LYS 405 HB2 0.15 -0.00 0.11 -0.04 1.87 2.08 3hs7B1 LYS 405 HB3 0.16 -0.07 0.06 -0.04 1.79 1.90 3hs7B1 GLN 406 H 0.24 -0.05 -0.31 -0.55 8.47 7.80 3hs7B1 GLN 406 HA 0.16 0.11 0.44 -0.75 4.36 4.31 3hs7B1 GLN 406 HB2 0.33 -0.05 0.14 -0.04 2.15 2.53 3hs7B1 GLN 406 HB3 0.37 0.03 0.03 -0.04 2.02 2.41 3hs7B1 GLN 406 HG2 0.18 0.06 0.04 -0.04 2.40 2.64 3hs7B1 GLN 406 HG3 0.17 -0.07 0.03 -0.04 2.39 2.47 3hs7B1 GLN 406 HE21 0.09 0.05 0.05 -0.04 6.97 7.11 3hs7B1 GLN 406 HE22 0.11 0.01 0.03 -0.04 7.69 7.80 3hs7B1 PHE 407 H 0.32 0.27 -0.29 -0.55 8.34 8.08 3hs7B1 PHE 407 HA -0.12 0.04 0.53 -0.75 4.62 4.32 3hs7B1 PHE 407 HB2 0.03 0.09 -0.05 -0.04 3.15 3.18 3hs7B1 PHE 407 HB3 -0.26 0.01 0.05 -0.04 3.06 2.82 3hs7B1 PHE 407 HD2 -0.54 0.02 -0.05 -0.04 7.28 6.67 3hs7B1 PHE 407 HE2 -0.30 -0.04 -0.05 -0.04 7.38 6.95 3hs7B1 PHE 407 HZ 0.10 -0.00 -0.09 -0.04 7.32 7.28 3hs7B1 LEU 408 H 0.18 0.56 0.08 -0.55 8.37 8.64 3hs7B1 LEU 408 HA -0.09 0.05 0.53 -0.75 4.35 4.09 3hs7B1 LEU 408 HB2 0.19 0.11 0.21 -0.04 1.64 2.10 3hs7B1 LEU 408 HB3 0.17 -0.02 0.00 -0.04 1.64 1.76 3hs7B1 LEU 408 HG 0.04 -0.00 0.05 -0.04 1.64 1.68 3hs7B1 LEU 408 HD13 0.22 -0.00 0.04 -0.04 0.93 1.14 3hs7B1 LEU 408 HD23 0.22 -0.03 -0.04 -0.04 0.89 1.00 3hs7B1 TYR 409 H -0.26 0.87 0.44 -0.55 8.29 8.79 3hs7B1 TYR 409 HA 0.04 0.25 0.39 -0.75 4.56 4.49 3hs7B1 TYR 409 HB2 0.09 0.10 -0.25 -0.04 3.06 2.96 3hs7B1 TYR 409 HB3 0.06 -0.06 0.23 -0.04 2.98 3.17 3hs7B1 TYR 409 HD2 0.10 0.04 -0.09 -0.04 7.15 7.15 3hs7B1 TYR 409 HE2 -0.09 0.07 -0.04 -0.04 6.85 6.75 3hs7B1 ASN 410 H -0.12 0.30 -0.14 -0.55 8.53 8.02 3hs7B1 ASN 410 HA 0.03 0.14 0.96 -0.75 4.76 5.13 3hs7B1 ASN 410 HB2 0.00 0.25 -0.27 -0.04 2.88 2.82 3hs7B1 ASN 410 HB3 -0.17 -0.01 0.25 -0.04 2.79 2.82 3hs7B1 ASN 410 HD21 0.02 -0.12 0.03 -0.04 7.03 6.93 3hs7B1 ASN 410 HD22 -0.02 0.51 0.16 -0.04 7.74 8.35 3hs7B1 ASN 411 H 0.01 0.38 0.04 -0.55 8.53 8.41 3hs7B1 ASN 411 HA -0.06 0.04 0.56 -0.75 4.76 4.54 3hs7B1 ASN 411 HB2 0.04 0.12 0.11 -0.04 2.88 3.12 3hs7B1 ASN 411 HB3 0.29 -0.02 0.13 -0.04 2.79 3.15 3hs7B1 ASN 411 HD21 0.39 -0.01 0.05 -0.04 7.03 7.41 3hs7B1 ASN 411 HD22 0.21 0.28 0.12 -0.04 7.74 8.31 3hs7B1 SER 412 H -0.04 0.16 -0.28 -0.55 8.46 7.75 3hs7B1 SER 412 HA -0.05 0.09 0.55 -0.75 4.49 4.32 3hs7B1 SER 412 HB2 -0.02 0.05 0.01 -0.04 3.95 3.95 3hs7B1 SER 412 HB3 -0.03 0.02 0.00 -0.04 3.93 3.89 3hs7B1 ILE 413 H -0.07 0.35 -0.18 -0.55 8.25 7.81 3hs7B1 ILE 413 HA 0.06 0.04 0.38 -0.75 4.18 3.92 3hs7B1 ILE 413 HB -0.11 0.14 0.15 -0.04 1.89 2.03 3hs7B1 ILE 413 HG12 -0.40 -0.05 0.03 -0.04 1.49 1.02 3hs7B1 ILE 413 HG13 -0.16 -0.06 0.10 -0.04 1.21 1.06 3hs7B1 ILE 413 HG23 0.12 -0.01 -0.12 -0.04 0.93 0.88 3hs7B1 ILE 413 HD13 -0.47 0.06 0.06 -0.04 0.88 0.49 3hs7B1 LEU 414 H -0.07 0.15 -0.33 -0.55 8.37 7.57 3hs7B1 LEU 414 HA -0.60 0.04 0.33 -0.75 4.35 3.37 3hs7B1 LEU 414 HB2 -0.33 -0.06 0.09 -0.04 1.64 1.30 3hs7B1 LEU 414 HB3 -0.21 0.20 0.12 -0.04 1.64 1.71 3hs7B1 LEU 414 HG -0.26 -0.01 -0.19 -0.04 1.64 1.14 3hs7B1 LEU 414 HD13 -1.15 -0.00 -0.07 -0.04 0.93 -0.32 3hs7B1 LEU 414 HD23 -0.25 0.02 -0.10 -0.04 0.89 0.52 3hs7B1 LEU 415 H -0.10 0.36 -0.16 -0.55 8.37 7.92 3hs7B1 LEU 415 HA -0.13 0.04 0.37 -0.75 4.35 3.87 3hs7B1 LEU 415 HB2 -0.09 0.04 0.11 -0.04 1.64 1.66 3hs7B1 LEU 415 HB3 -0.11 -0.02 0.01 -0.04 1.64 1.48 3hs7B1 LEU 415 HG -0.11 0.19 0.07 -0.04 1.64 1.75 3hs7B1 LEU 415 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.74 3hs7B1 LEU 415 HD23 -0.73 -0.01 -0.07 -0.04 0.89 0.05 3hs7B1 GLU 416 H -0.04 0.50 -0.19 -0.55 8.60 8.33 3hs7B1 GLU 416 HA -0.06 0.02 0.38 -0.75 4.29 3.87 3hs7B1 GLU 416 HB2 -0.07 0.04 0.07 -0.04 2.09 2.09 3hs7B1 GLU 416 HB3 -0.20 0.03 0.08 -0.04 1.99 1.85 3hs7B1 GLU 416 HG2 -0.23 0.01 -0.09 -0.04 2.34 1.99 3hs7B1 GLU 416 HG3 -0.09 -0.03 0.02 -0.04 2.34 2.20 3hs7B1 HIS 417 H 0.12 0.37 -0.17 -0.55 8.41 8.19 3hs7B1 HIS 417 HA 0.08 0.08 0.61 -0.75 4.63 4.64 3hs7B1 HIS 417 HB2 0.38 0.11 0.07 -0.04 3.26 3.78 3hs7B1 HIS 417 HB3 0.17 -0.11 -0.04 -0.04 3.20 3.18 3hs7B1 HIS 417 HD2 0.24 0.13 0.05 -0.04 6.97 7.35 3hs7B1 HIS 417 HE1 0.09 -0.07 0.01 -0.04 7.75 7.74 3hs7B1 GLY 418 H 0.09 0.50 -0.09 -0.55 8.43 8.38 3hs7B1 GLY 418 HA2 0.07 0.09 0.39 -0.51 4.01 4.05 3hs7B1 GLY 418 HA3 0.06 0.08 0.65 -0.51 4.01 4.30 3hs7B1 LEU 419 H -0.03 0.21 0.17 -0.55 8.37 8.17 3hs7B1 LEU 419 HA -0.10 0.06 0.46 -0.75 4.35 4.02 3hs7B1 LEU 419 HB2 -0.13 0.02 0.19 -0.04 1.64 1.68 3hs7B1 LEU 419 HB3 -0.11 0.06 0.00 -0.04 1.64 1.55 3hs7B1 LEU 419 HG -0.19 -0.06 0.08 -0.04 1.64 1.43 3hs7B1 LEU 419 HD13 -0.17 0.01 0.01 -0.04 0.93 0.74 3hs7B1 LEU 419 HD23 -0.20 0.04 0.03 -0.04 0.89 0.72 3hs7B1 THR 420 H -0.01 0.11 -0.11 -0.55 8.28 7.72 3hs7B1 THR 420 HA -0.03 0.13 0.41 -0.75 4.39 4.15 3hs7B1 THR 420 HB -0.01 -0.03 0.09 -0.04 4.32 4.33 3hs7B1 THR 420 HG23 -0.04 0.01 -0.07 -0.04 1.22 1.08 3hs7B1 GLN 421 H 0.06 0.24 -0.21 -0.55 8.47 8.01 3hs7B1 GLN 421 HA -0.01 0.04 0.48 -0.75 4.36 4.12 3hs7B1 GLN 421 HB2 0.14 0.32 0.00 -0.04 2.15 2.57 3hs7B1 GLN 421 HB3 0.03 -0.10 -0.05 -0.04 2.02 1.86 3hs7B1 GLN 421 HG2 0.04 -0.01 0.04 -0.04 2.40 2.43 3hs7B1 GLN 421 HG3 0.10 0.05 0.07 -0.04 2.39 2.57 3hs7B1 GLN 421 HE21 -0.00 -0.00 0.01 -0.04 6.97 6.93 3hs7B1 GLN 421 HE22 0.01 0.03 0.00 -0.04 7.69 7.69 3hs7B1 PHE 422 H 0.22 0.37 -0.34 -0.55 8.34 8.04 3hs7B1 PHE 422 HA -0.42 0.00 0.47 -0.75 4.62 3.91 3hs7B1 PHE 422 HB2 -0.10 0.07 0.16 -0.04 3.15 3.23 3hs7B1 PHE 422 HB3 -0.12 -0.01 -0.06 -0.04 3.06 2.83 3hs7B1 PHE 422 HD2 -0.00 0.06 -0.10 -0.04 7.28 7.19 3hs7B1 PHE 422 HE2 0.07 0.02 -0.28 -0.04 7.38 7.15 3hs7B1 PHE 422 HZ -0.06 -0.07 -0.25 -0.04 7.32 6.91 3hs7B1 VAL 423 H 0.06 0.65 -0.06 -0.55 8.24 8.34 3hs7B1 VAL 423 HA 0.09 -0.03 0.42 -0.75 4.13 3.86 3hs7B1 VAL 423 HB -0.01 0.12 0.14 -0.04 2.12 2.33 3hs7B1 VAL 423 HG13 0.01 0.01 -0.19 -0.04 0.97 0.77 3hs7B1 VAL 423 HG23 -0.03 0.03 0.02 -0.04 0.95 0.92 3hs7B1 GLU 424 H -0.01 0.52 -0.10 -0.55 8.60 8.45 3hs7B1 GLU 424 HA 0.01 0.09 0.41 -0.75 4.29 4.05 3hs7B1 GLU 424 HB2 -0.03 -0.01 0.19 -0.04 2.09 2.20 3hs7B1 GLU 424 HB3 -0.03 -0.04 0.03 -0.04 1.99 1.92 3hs7B1 GLU 424 HG2 -0.04 -0.02 0.06 -0.04 2.34 2.30 3hs7B1 GLU 424 HG3 -0.03 0.13 0.09 -0.04 2.34 2.48 3hs7B1 SER 425 H -0.12 0.61 -0.07 -0.55 8.46 8.33 3hs7B1 SER 425 HA -0.06 0.01 0.47 -0.75 4.49 4.16 3hs7B1 SER 425 HB2 -0.49 0.08 0.27 -0.04 3.95 3.77 3hs7B1 SER 425 HB3 -0.28 0.33 0.26 -0.04 3.93 4.20 3hs7B1 PHE 426 H -0.06 0.69 -0.05 -0.55 8.34 8.37 3hs7B1 PHE 426 HA 0.06 0.05 0.59 -0.75 4.62 4.57 3hs7B1 PHE 426 HB2 0.11 0.20 0.08 -0.04 3.15 3.50 3hs7B1 PHE 426 HB3 0.22 -0.20 -0.16 -0.04 3.06 2.88 3hs7B1 PHE 426 HD2 0.11 0.03 -0.08 -0.04 7.28 7.30 3hs7B1 PHE 426 HE2 0.04 -0.07 -0.13 -0.04 7.38 7.18 3hs7B1 PHE 426 HZ 0.04 -0.06 -0.12 -0.04 7.32 7.15 3hs7B1 THR 427 H 0.15 0.66 -0.09 -0.55 8.28 8.45 3hs7B1 THR 427 HA 0.14 -0.07 0.55 -0.75 4.39 4.26 3hs7B1 THR 427 HB 0.07 0.13 0.17 -0.04 4.32 4.65 3hs7B1 THR 427 HG23 0.05 -0.03 0.04 -0.04 1.22 1.24 3hs7B1 ARG 428 H 0.09 0.26 -0.42 -0.55 8.46 7.84 3hs7B1 ARG 428 HA 0.05 0.12 0.73 -0.75 4.34 4.49 3hs7B1 ARG 428 HB2 0.03 -0.09 0.11 -0.04 1.90 1.91 3hs7B1 ARG 428 HB3 0.03 0.04 0.04 -0.04 1.80 1.87 3hs7B1 ARG 428 HG2 0.03 0.27 0.08 -0.04 1.67 2.01 3hs7B1 ARG 428 HG3 0.02 -0.09 -0.08 -0.04 1.67 1.47 3hs7B1 ARG 428 HD2 0.00 0.20 -0.04 -0.04 3.22 3.35 3hs7B1 ARG 428 HD3 -0.01 -0.08 -0.01 -0.04 3.22 3.08 3hs7B1 GLN 429 H 0.13 0.17 -0.05 -0.55 8.47 8.18 3hs7B1 GLN 429 HA 0.04 0.08 0.86 -0.75 4.36 4.60 3hs7B1 GLN 429 HB2 0.09 0.07 0.17 -0.04 2.15 2.44 3hs7B1 GLN 429 HB3 0.18 -0.09 0.23 -0.04 2.02 2.30 3hs7B1 GLN 429 HG2 0.00 0.16 -0.22 -0.04 2.40 2.29 3hs7B1 GLN 429 HG3 -0.02 -0.03 0.11 -0.04 2.39 2.41 3hs7B1 GLN 429 HE21 -0.22 0.40 0.32 -0.04 6.97 7.42 3hs7B1 GLN 429 HE22 -0.21 0.01 0.11 -0.04 7.69 7.56 3hs7B1 ILE 430 H 0.05 0.08 0.20 -0.55 8.25 8.03 3hs7B1 ILE 430 HA 0.07 0.19 0.55 -0.75 4.18 4.24 3hs7B1 ILE 430 HB 0.06 -0.01 0.08 -0.04 1.89 1.98 3hs7B1 ILE 430 HG12 0.06 0.07 0.06 -0.04 1.49 1.64 3hs7B1 ILE 430 HG13 0.03 0.15 0.08 -0.04 1.21 1.43 3hs7B1 ILE 430 HG23 0.19 -0.02 0.02 -0.04 0.93 1.08 3hs7B1 ILE 430 HD13 0.00 0.04 0.02 -0.04 0.88 0.89 3hs7B1 ALA 431 H 0.07 0.78 0.35 -0.55 8.40 9.05 3hs7B1 ALA 431 HA 0.12 0.13 0.69 -0.75 4.34 4.53 3hs7B1 ALA 431 HB3 0.08 -0.02 0.03 -0.04 1.41 1.46 3hs7B1 GLY 432 H 0.16 0.44 0.19 -0.55 8.43 8.67 3hs7B1 GLY 432 HA2 -0.26 0.08 0.69 -0.51 4.01 4.01 3hs7B1 GLY 432 HA3 0.05 0.32 0.35 -0.51 4.01 4.22 3hs7B1 ARG 433 H -0.24 0.63 0.09 -0.55 8.46 8.39 3hs7B1 ARG 433 HA -0.22 -0.11 0.66 -0.75 4.34 3.91 3hs7B1 ARG 433 HB2 -0.20 -0.02 -0.02 -0.04 1.90 1.61 3hs7B1 ARG 433 HB3 -0.18 0.06 0.03 -0.04 1.80 1.67 3hs7B1 ARG 433 HG2 -0.15 0.43 -0.14 -0.04 1.67 1.78 3hs7B1 ARG 433 HG3 -0.23 -0.14 0.16 -0.04 1.67 1.42 3hs7B1 ARG 433 HD2 -0.17 0.24 0.07 -0.04 3.22 3.31 3hs7B1 ARG 433 HD3 -0.18 -0.14 -0.01 -0.04 3.22 2.85 3hs7B1 VAL 434 H -0.29 0.06 0.20 -0.55 8.24 7.66 3hs7B1 VAL 434 HA -0.03 0.01 0.35 -0.75 4.13 3.70 3hs7B1 VAL 434 HB -0.16 0.02 0.10 -0.04 2.12 2.03 3hs7B1 VAL 434 HG13 -0.05 -0.02 -0.14 -0.04 0.97 0.71 3hs7B1 VAL 434 HG23 -0.22 -0.02 -0.06 -0.04 0.95 0.61 3hs7B1 ALA 435 H -0.12 0.43 0.24 -0.55 8.40 8.40 3hs7B1 ALA 435 HA -0.04 0.11 0.67 -0.75 4.34 4.33 3hs7B1 ALA 435 HB3 -0.03 -0.01 0.03 -0.04 1.41 1.37 3hs7B1 GLY 436 H -0.06 0.23 -0.19 -0.55 8.43 7.87 3hs7B1 GLY 436 HA2 -0.06 0.02 0.25 -0.51 4.01 3.71 3hs7B1 GLY 436 HA3 -0.07 0.09 0.48 -0.51 4.01 3.99 3hs7B1 GLY 437 H -0.06 0.51 -0.20 -0.55 8.43 8.14 3hs7B1 GLY 437 HA2 -0.04 -0.02 0.34 -0.51 4.01 3.78 3hs7B1 GLY 437 HA3 -0.04 -0.04 0.45 -0.51 4.01 3.86 3hs7B1 ARG 438 H -0.02 0.57 0.23 -0.55 8.46 8.69 3hs7B1 ARG 438 HA -0.01 -0.02 -0.21 -0.75 4.34 3.34 3hs7B1 ARG 438 HB2 -0.03 0.05 -0.26 -0.04 1.90 1.63 3hs7B1 ARG 438 HB3 -0.01 -0.07 0.08 -0.04 1.80 1.75 3hs7B1 ARG 438 HG2 -0.01 0.04 -0.25 -0.04 1.67 1.41 3hs7B1 ARG 438 HG3 -0.02 0.01 -0.07 -0.04 1.67 1.55 3hs7B1 ARG 438 HD2 -0.02 -0.06 -0.03 -0.04 3.22 3.07 3hs7B1 ARG 438 HD3 -0.01 -0.06 -0.02 -0.04 3.22 3.08 3hs7B1 ASN 439 H 0.00 0.08 -0.03 -0.55 8.53 8.04 3hs7B1 ASN 439 HA 0.01 0.01 0.61 -0.75 4.76 4.64 3hs7B1 ASN 439 HB2 -0.05 0.21 -0.31 -0.04 2.88 2.69 3hs7B1 ASN 439 HB3 -0.01 0.07 0.01 -0.04 2.79 2.82 3hs7B1 ASN 439 HD21 -0.19 -0.06 0.24 -0.04 7.03 6.98 3hs7B1 ASN 439 HD22 -0.07 0.49 0.08 -0.04 7.74 8.20 3hs7B1 VAL 440 H 0.04 0.59 0.13 -0.55 8.24 8.45 3hs7B1 VAL 440 HA 0.11 0.15 0.54 -0.75 4.13 4.17 3hs7B1 VAL 440 HB 0.05 -0.08 -0.14 -0.04 2.12 1.91 3hs7B1 VAL 440 HG13 0.08 0.00 -0.23 -0.04 0.97 0.78 3hs7B1 VAL 440 HG23 0.11 0.01 -0.03 -0.04 0.95 0.99 3hs7B1 PRO 441 HA 0.00 0.07 0.39 -0.51 4.44 4.40 3hs7B1 PRO 441 HB2 -0.21 -0.25 -0.03 -0.04 2.28 1.75 3hs7B1 PRO 441 HB3 -0.04 0.08 0.02 -0.04 2.02 2.03 3hs7B1 PRO 441 HG2 0.19 -0.03 0.03 -0.04 2.03 2.18 3hs7B1 PRO 441 HG3 0.14 0.37 0.01 -0.04 2.03 2.51 3hs7B1 PRO 441 HD2 0.12 -0.10 0.06 -0.04 3.68 3.72 3hs7B1 PRO 441 HD3 0.14 0.42 0.20 -0.04 3.65 4.36 3hs7B1 ILE 442 H -0.05 0.23 0.18 -0.55 8.25 8.06 3hs7B1 ILE 442 HA -0.05 0.09 0.41 -0.75 4.18 3.88 3hs7B1 ILE 442 HB -0.04 0.01 0.17 -0.04 1.89 1.99 3hs7B1 ILE 442 HG12 -0.01 0.01 0.05 -0.04 1.49 1.49 3hs7B1 ILE 442 HG13 -0.02 -0.03 0.07 -0.04 1.21 1.19 3hs7B1 ILE 442 HG23 -0.04 -0.01 -0.12 -0.04 0.93 0.72 3hs7B1 ILE 442 HD13 -0.00 0.02 0.07 -0.04 0.88 0.93 3hs7B1 ALA 443 H -0.27 0.13 -0.18 -0.55 8.40 7.53 3hs7B1 ALA 443 HA -0.16 0.06 0.36 -0.75 4.34 3.84 3hs7B1 ALA 443 HB3 -0.78 0.02 0.07 -0.04 1.41 0.68 3hs7B1 VAL 444 H -0.24 0.34 -0.49 -0.55 8.24 7.31 3hs7B1 VAL 444 HA -0.10 0.17 0.89 -0.75 4.13 4.34 3hs7B1 VAL 444 HB -0.22 -0.09 0.16 -0.04 2.12 1.93 3hs7B1 VAL 444 HG13 0.00 0.01 -0.10 -0.04 0.97 0.84 3hs7B1 VAL 444 HG23 -0.04 0.02 -0.05 -0.04 0.95 0.84 3hs7B1 GLN 445 H -0.08 0.59 -0.29 -0.55 8.47 8.14 3hs7B1 GLN 445 HA -0.02 0.08 0.29 -0.75 4.36 3.96 3hs7B1 GLN 445 HB2 -0.01 -0.04 0.05 -0.04 2.15 2.10 3hs7B1 GLN 445 HB3 -0.03 0.12 0.16 -0.04 2.02 2.23 3hs7B1 GLN 445 HG2 -0.03 0.15 0.09 -0.04 2.40 2.57 3hs7B1 GLN 445 HG3 -0.02 -0.07 -0.16 -0.04 2.39 2.10 3hs7B1 GLN 445 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 3hs7B1 GLN 445 HE22 -0.01 0.00 -0.00 -0.04 7.69 7.64 3hs7B1 ALA 446 H -0.04 0.20 -0.19 -0.55 8.40 7.82 3hs7B1 ALA 446 HA -0.01 0.06 0.41 -0.75 4.34 4.05 3hs7B1 ALA 446 HB3 -0.01 0.03 0.04 -0.04 1.41 1.42 3hs7B1 VAL 447 H -0.07 0.22 -0.38 -0.55 8.24 7.46 3hs7B1 VAL 447 HA -0.04 0.08 0.49 -0.75 4.13 3.90 3hs7B1 VAL 447 HB -0.35 0.16 0.10 -0.04 2.12 1.99 3hs7B1 VAL 447 HG13 -0.11 0.00 -0.04 -0.04 0.97 0.78 3hs7B1 VAL 447 HG23 -0.08 -0.02 0.01 -0.04 0.95 0.82 3hs7B1 ALA 448 H -0.04 0.42 -0.07 -0.55 8.40 8.16 3hs7B1 ALA 448 HA 0.16 0.07 0.41 -0.75 4.34 4.23 3hs7B1 ALA 448 HB3 0.13 0.04 0.04 -0.04 1.41 1.58 3hs7B1 LYS 449 H 0.02 0.49 -0.22 -0.55 8.42 8.16 3hs7B1 LYS 449 HA 0.05 0.02 0.44 -0.75 4.32 4.07 3hs7B1 LYS 449 HB2 0.02 0.08 0.07 -0.04 1.87 2.00 3hs7B1 LYS 449 HB3 0.00 0.14 0.08 -0.04 1.79 1.97 3hs7B1 LYS 449 HG2 0.01 -0.03 -0.13 -0.04 1.46 1.27 3hs7B1 LYS 449 HG3 0.02 -0.09 -0.10 -0.04 1.46 1.24 3hs7B1 LYS 449 HD2 0.00 0.02 -0.04 -0.04 1.69 1.64 3hs7B1 LYS 449 HD3 0.00 0.06 -0.04 -0.04 1.68 1.66 3hs7B1 LYS 449 HE2 0.00 -0.17 -0.04 -0.04 2.99 2.75 3hs7B1 LYS 449 HE3 0.00 0.04 -0.01 -0.04 2.99 2.97 3hs7B1 ALA 450 H -0.01 0.38 -0.35 -0.55 8.40 7.88 3hs7B1 ALA 450 HA -0.02 -0.02 0.39 -0.75 4.34 3.94 3hs7B1 ALA 450 HB3 -0.00 0.06 0.13 -0.04 1.41 1.56 3hs7B1 SER 451 H -0.07 0.44 -0.24 -0.55 8.46 8.05 3hs7B1 SER 451 HA -0.27 0.04 0.45 -0.75 4.49 3.95 3hs7B1 SER 451 HB2 -0.66 0.14 0.11 -0.04 3.95 3.50 3hs7B1 SER 451 HB3 -1.21 -0.01 0.05 -0.04 3.93 2.71 3hs7B1 ILE 452 H -0.04 0.35 -0.25 -0.55 8.25 7.76 3hs7B1 ILE 452 HA 0.00 0.02 0.56 -0.75 4.18 4.01 3hs7B1 ILE 452 HB 0.05 0.09 0.17 -0.04 1.89 2.16 3hs7B1 ILE 452 HG12 0.29 -0.08 -0.01 -0.04 1.49 1.64 3hs7B1 ILE 452 HG13 0.24 0.15 0.06 -0.04 1.21 1.62 3hs7B1 ILE 452 HG23 0.08 -0.02 -0.02 -0.04 0.93 0.93 3hs7B1 ILE 452 HD13 0.14 -0.02 -0.03 -0.04 0.88 0.93 3hs7B1 ASP 453 H -0.03 0.58 0.03 -0.55 8.40 8.43 3hs7B1 ASP 453 HA -0.02 0.03 0.42 -0.75 4.63 4.30 3hs7B1 ASP 453 HB2 -0.02 0.06 0.14 -0.04 2.71 2.85 3hs7B1 ASP 453 HB3 -0.01 -0.01 0.04 -0.04 2.70 2.67 3hs7B1 GLN 454 H -0.10 0.71 -0.12 -0.55 8.47 8.42 3hs7B1 GLN 454 HA -0.06 0.03 0.58 -0.75 4.36 4.16 3hs7B1 GLN 454 HB2 -0.12 0.15 0.14 -0.04 2.15 2.28 3hs7B1 GLN 454 HB3 -0.10 -0.03 0.01 -0.04 2.02 1.86 3hs7B1 GLN 454 HG2 0.00 -0.04 0.04 -0.04 2.40 2.37 3hs7B1 GLN 454 HG3 -0.01 -0.03 0.02 -0.04 2.39 2.33 3hs7B1 GLN 454 HE21 0.24 -0.02 -0.05 -0.04 6.97 7.10 3hs7B1 GLN 454 HE22 0.11 -0.00 -0.02 -0.04 7.69 7.74 3hs7B1 SER 455 H -0.27 0.45 -0.17 -0.55 8.46 7.92 3hs7B1 SER 455 HA -0.95 0.03 0.49 -0.75 4.49 3.31 3hs7B1 SER 455 HB2 -0.21 0.13 0.18 -0.04 3.95 4.01 3hs7B1 SER 455 HB3 -0.45 -0.08 0.04 -0.04 3.93 3.40 3hs7B1 ARG 456 H -0.10 0.35 -0.34 -0.55 8.46 7.82 3hs7B1 ARG 456 HA 0.01 0.09 0.46 -0.75 4.34 4.15 3hs7B1 ARG 456 HB2 -0.02 0.10 0.20 -0.04 1.90 2.14 3hs7B1 ARG 456 HB3 0.01 -0.00 0.02 -0.04 1.80 1.78 3hs7B1 ARG 456 HG2 0.04 0.01 0.02 -0.04 1.67 1.70 3hs7B1 ARG 456 HG3 0.01 0.08 0.06 -0.04 1.67 1.78 3hs7B1 ARG 456 HD2 0.00 -0.05 -0.02 -0.04 3.22 3.11 3hs7B1 ARG 456 HD3 0.01 -0.01 0.00 -0.04 3.22 3.18 3hs7B1 GLU 457 H -0.03 0.41 0.01 -0.55 8.60 8.45 3hs7B1 GLU 457 HA 0.03 0.12 0.61 -0.75 4.29 4.29 3hs7B1 GLU 457 HB2 0.03 -0.02 0.13 -0.04 2.09 2.19 3hs7B1 GLU 457 HB3 0.01 -0.03 0.14 -0.04 1.99 2.08 3hs7B1 GLU 457 HG2 -0.02 0.06 0.25 -0.04 2.34 2.59 3hs7B1 GLU 457 HG3 0.01 0.01 -0.00 -0.04 2.34 2.32 3hs7B1 MET 458 H -0.04 0.46 -0.27 -0.55 8.47 8.08 3hs7B1 MET 458 HA 0.07 0.05 0.58 -0.75 4.52 4.47 3hs7B1 MET 458 HB2 -0.08 0.10 0.12 -0.04 2.15 2.25 3hs7B1 MET 458 HB3 0.23 -0.06 0.10 -0.04 2.03 2.26 3hs7B1 MET 458 HG2 0.04 -0.08 -0.00 -0.04 2.63 2.55 3hs7B1 MET 458 HG3 -0.02 0.04 -0.00 -0.04 2.56 2.54 3hs7B1 MET 458 HE3 -0.27 -0.02 -0.20 -0.04 2.10 1.57 3hs7B1 LYS 459 H 0.06 0.21 -0.88 -0.55 8.42 7.26 3hs7B1 LYS 459 HA 0.09 0.14 0.34 -0.75 4.32 4.13 3hs7B1 LYS 459 HB2 0.07 0.02 -0.07 -0.04 1.87 1.85 3hs7B1 LYS 459 HB3 0.05 0.02 0.21 -0.04 1.79 2.03 3hs7B1 LYS 459 HG2 0.06 0.08 -0.16 -0.04 1.46 1.40 3hs7B1 LYS 459 HG3 0.05 -0.03 -0.04 -0.04 1.46 1.40 3hs7B1 LYS 459 HD2 0.05 0.22 0.14 -0.04 1.69 2.06 3hs7B1 LYS 459 HD3 0.04 -0.11 0.06 -0.04 1.68 1.63 3hs7B1 LYS 459 HE2 0.04 0.05 0.01 -0.04 2.99 3.04 3hs7B1 LYS 459 HE3 0.03 -0.06 0.04 -0.04 2.99 2.96 3hs7B1 TYR 460 H 0.29 0.45 -0.07 -0.55 8.29 8.41 3hs7B1 TYR 460 HA 0.12 0.03 0.41 -0.75 4.56 4.36 3hs7B1 TYR 460 HB2 0.05 0.00 0.03 -0.04 3.06 3.09 3hs7B1 TYR 460 HB3 0.11 0.06 -0.05 -0.04 2.98 3.06 3hs7B1 TYR 460 HD2 -0.04 0.03 -0.09 -0.04 7.15 7.01 3hs7B1 TYR 460 HE2 -0.12 -0.02 -0.04 -0.04 6.85 6.62 3hs7B1 GLN 461 H 0.21 0.08 0.14 -0.55 8.47 8.36 3hs7B1 GLN 461 HA 0.09 0.21 0.71 -0.75 4.36 4.61 3hs7B1 GLN 461 HB2 -0.21 -0.05 0.05 -0.04 2.15 1.89 3hs7B1 GLN 461 HB3 -0.07 -0.09 0.11 -0.04 2.02 1.93 3hs7B1 GLN 461 HG2 -0.04 0.04 0.03 -0.04 2.40 2.38 3hs7B1 GLN 461 HG3 -0.09 0.20 0.02 -0.04 2.39 2.48 3hs7B1 GLN 461 HE21 -0.19 -0.08 -0.01 -0.04 6.97 6.64 3hs7B1 GLN 461 HE22 -0.18 0.49 -0.08 -0.04 7.69 7.88 3hs7B1 SER 462 H 0.07 0.18 0.14 -0.55 8.46 8.31 3hs7B1 SER 462 HA 0.15 0.09 0.23 -0.75 4.49 4.21 3hs7B1 SER 462 HB2 0.07 -0.03 -0.11 -0.04 3.95 3.85 3hs7B1 SER 462 HB3 0.08 0.10 0.09 -0.04 3.93 4.16 3hs7B1 LEU 463 H 0.10 0.95 0.16 -0.55 8.37 9.03 3hs7B1 LEU 463 HA 0.16 0.04 0.35 -0.75 4.35 4.14 3hs7B1 LEU 463 HB2 0.06 0.09 -0.25 -0.04 1.64 1.49 3hs7B1 LEU 463 HB3 0.05 0.04 0.01 -0.04 1.64 1.69 3hs7B1 LEU 463 HG 0.11 -0.02 -0.42 -0.04 1.64 1.26 3hs7B1 LEU 463 HD13 0.09 0.00 -0.06 -0.04 0.93 0.92 3hs7B1 LEU 463 HD23 0.13 -0.00 -0.06 -0.04 0.89 0.92 3hs7B1 ASN 464 H 0.05 0.19 -0.11 -0.55 8.53 8.11 3hs7B1 ASN 464 HA 0.01 0.02 0.36 -0.75 4.76 4.40 3hs7B1 ASN 464 HB2 0.00 0.03 0.07 -0.04 2.88 2.94 3hs7B1 ASN 464 HB3 -0.02 0.09 -0.03 -0.04 2.79 2.79 3hs7B1 ASN 464 HD21 -0.02 0.53 -0.05 -0.04 7.03 7.45 3hs7B1 ASN 464 HD22 -0.03 -0.04 -0.11 -0.04 7.74 7.53 3hs7B1 GLU 465 H 0.04 0.14 -0.49 -0.55 8.60 7.74 3hs7B1 GLU 465 HA -0.06 0.11 0.59 -0.75 4.29 4.18 3hs7B1 GLU 465 HB2 -0.05 0.10 0.04 -0.04 2.09 2.14 3hs7B1 GLU 465 HB3 -0.18 0.06 -0.01 -0.04 1.99 1.82 3hs7B1 GLU 465 HG2 -0.03 -0.09 0.02 -0.04 2.34 2.20 3hs7B1 GLU 465 HG3 -0.06 0.05 0.07 -0.04 2.34 2.36 3hs7B1 TYR 466 H 0.19 0.41 -0.13 -0.55 8.29 8.21 3hs7B1 TYR 466 HA 0.11 0.09 0.48 -0.75 4.56 4.49 3hs7B1 TYR 466 HB2 0.05 0.05 0.10 -0.04 3.06 3.23 3hs7B1 TYR 466 HB3 0.08 -0.02 -0.06 -0.04 2.98 2.94 3hs7B1 TYR 466 HD2 0.15 0.16 -0.13 -0.04 7.15 7.28 3hs7B1 TYR 466 HE2 -0.01 -0.04 -0.01 -0.04 6.85 6.75 3hs7B1 ARG 467 H 0.11 0.45 -0.17 -0.55 8.46 8.30 3hs7B1 ARG 467 HA 0.07 0.06 0.38 -0.75 4.34 4.10 3hs7B1 ARG 467 HB2 -0.02 -0.01 0.02 -0.04 1.90 1.85 3hs7B1 ARG 467 HB3 -0.09 0.05 -0.30 -0.04 1.80 1.42 3hs7B1 ARG 467 HG2 -0.03 -0.02 -0.09 -0.04 1.67 1.49 3hs7B1 ARG 467 HG3 0.04 0.09 -0.10 -0.04 1.67 1.66 3hs7B1 ARG 467 HD2 -0.05 -0.07 -0.08 -0.04 3.22 2.97 3hs7B1 ARG 467 HD3 -0.13 -0.14 -0.10 -0.04 3.22 2.81 3hs7B1 LYS 468 H -0.01 0.38 -0.23 -0.55 8.42 8.02 3hs7B1 LYS 468 HA -0.04 0.16 0.52 -0.75 4.32 4.21 3hs7B1 LYS 468 HB2 -0.06 0.12 0.20 -0.04 1.87 2.08 3hs7B1 LYS 468 HB3 -0.08 -0.08 0.05 -0.04 1.79 1.63 3hs7B1 LYS 468 HG2 -0.06 0.02 0.10 -0.04 1.46 1.49 3hs7B1 LYS 468 HG3 -0.05 0.16 0.14 -0.04 1.46 1.67 3hs7B1 LYS 468 HD2 -0.08 0.01 0.06 -0.04 1.69 1.63 3hs7B1 LYS 468 HD3 -0.08 -0.05 0.05 -0.04 1.68 1.56 3hs7B1 LYS 468 HE2 -0.06 -0.01 0.00 -0.04 2.99 2.88 3hs7B1 LYS 468 HE3 -0.05 -0.07 0.01 -0.04 2.99 2.83 3hs7B1 ARG 469 H -0.02 0.42 -0.21 -0.55 8.46 8.10 3hs7B1 ARG 469 HA -0.15 -0.01 0.41 -0.75 4.34 3.83 3hs7B1 ARG 469 HB2 -0.16 -0.01 0.14 -0.04 1.90 1.83 3hs7B1 ARG 469 HB3 0.06 0.05 0.18 -0.04 1.80 2.05 3hs7B1 ARG 469 HG2 -0.10 -0.12 -0.06 -0.04 1.67 1.36 3hs7B1 ARG 469 HG3 -0.60 0.03 -0.11 -0.04 1.67 0.95 3hs7B1 ARG 469 HD2 -0.19 -0.08 0.13 -0.04 3.22 3.04 3hs7B1 ARG 469 HD3 -0.16 0.23 0.15 -0.04 3.22 3.39 3hs7B1 PHE 470 H 0.16 0.21 -0.71 -0.55 8.34 7.44 3hs7B1 PHE 470 HA -0.11 0.23 0.87 -0.75 4.62 4.85 3hs7B1 PHE 470 HB2 -0.04 -0.01 0.04 -0.04 3.15 3.10 3hs7B1 PHE 470 HB3 -0.09 0.02 0.14 -0.04 3.06 3.09 3hs7B1 PHE 470 HD2 -0.09 0.19 0.05 -0.04 7.28 7.39 3hs7B1 PHE 470 HE2 -0.20 -0.09 -0.01 -0.04 7.38 7.04 3hs7B1 PHE 470 HZ -0.38 -0.14 0.01 -0.04 7.32 6.77 3hs7B1 SER 471 H -0.02 0.48 -0.25 -0.55 8.46 8.12 3hs7B1 SER 471 HA 0.00 0.01 0.31 -0.75 4.49 4.07 3hs7B1 SER 471 HB2 0.04 0.16 -0.00 -0.04 3.95 4.11 3hs7B1 SER 471 HB3 0.06 -0.09 0.19 -0.04 3.93 4.05 3hs7B1 LEU 472 H 0.01 0.56 -0.01 -0.55 8.37 8.38 3hs7B1 LEU 472 HA -0.02 0.10 0.90 -0.75 4.35 4.58 3hs7B1 LEU 472 HB2 -0.03 0.00 -0.08 -0.04 1.64 1.49 3hs7B1 LEU 472 HB3 -0.09 -0.11 -0.04 -0.04 1.64 1.35 3hs7B1 LEU 472 HG 0.04 0.31 -0.35 -0.04 1.64 1.60 3hs7B1 LEU 472 HD13 -0.02 -0.05 -0.11 -0.04 0.93 0.72 3hs7B1 LEU 472 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.79 3hs7B1 LYS 473 H -0.08 0.07 0.08 -0.55 8.42 7.94 3hs7B1 LYS 473 HA -0.07 0.15 0.50 -0.75 4.32 4.15 3hs7B1 LYS 473 HB2 -0.09 -0.08 0.11 -0.04 1.87 1.77 3hs7B1 LYS 473 HB3 -0.08 0.06 -0.05 -0.04 1.79 1.68 3hs7B1 PRO 474 HA -0.14 -0.02 0.46 -0.51 4.44 4.22 3hs7B1 PRO 474 HB2 -0.05 0.02 -0.09 -0.04 2.28 2.13 3hs7B1 PRO 474 HB3 -0.05 0.08 0.10 -0.04 2.02 2.11 3hs7B1 PRO 474 HG2 -0.05 -0.03 0.06 -0.04 2.03 1.97 3hs7B1 PRO 474 HG3 -0.05 0.07 0.07 -0.04 2.03 2.08 3hs7B1 PRO 474 HD2 -0.06 0.04 0.22 -0.04 3.68 3.84 3hs7B1 PRO 474 HD3 -0.07 0.29 0.20 -0.04 3.65 4.03 3hs7B1 TYR 475 H -0.10 0.07 0.11 -0.55 8.29 7.82 3hs7B1 TYR 475 HA -0.05 0.07 0.48 -0.75 4.56 4.30 3hs7B1 TYR 475 HB2 -0.11 -0.02 0.09 -0.04 3.06 2.99 3hs7B1 TYR 475 HB3 -0.11 -0.02 0.01 -0.04 2.98 2.82 3hs7B1 TYR 475 HD2 -0.05 -0.07 -0.05 -0.04 7.15 6.94 3hs7B1 TYR 475 HE2 -0.03 0.02 -0.03 -0.04 6.85 6.77 3hs7B1 THR 476 H 0.08 0.12 0.18 -0.55 8.28 8.11 3hs7B1 THR 476 HA -0.02 0.20 0.59 -0.75 4.39 4.41 3hs7B1 THR 476 HB -0.00 -0.02 0.10 -0.04 4.32 4.36 3hs7B1 THR 476 HG23 -0.01 0.06 -0.02 -0.04 1.22 1.21 3hs7B1 SER 477 H -0.03 0.16 -0.00 -0.55 8.46 8.05 3hs7B1 SER 477 HA -0.14 0.18 0.57 -0.75 4.49 4.35 3hs7B1 SER 477 HB2 0.02 -0.04 0.16 -0.04 3.95 4.04 3hs7B1 SER 477 HB3 -0.01 0.23 -0.14 -0.04 3.93 3.97 3hs7B1 PHE 478 H 0.07 0.25 0.14 -0.55 8.34 8.25 3hs7B1 PHE 478 HA -0.11 0.16 0.61 -0.75 4.62 4.52 3hs7B1 PHE 478 HB2 -0.03 0.06 0.12 -0.04 3.15 3.26 3hs7B1 PHE 478 HB3 -0.06 0.03 0.10 -0.04 3.06 3.08 3hs7B1 PHE 478 HD2 -0.06 0.02 -0.01 -0.04 7.28 7.19 3hs7B1 PHE 478 HE2 -0.11 0.04 -0.26 -0.04 7.38 7.02 3hs7B1 PHE 478 HZ 0.05 0.16 -0.52 -0.04 7.32 6.96 3hs7B1 GLU 479 H 0.07 0.09 -0.06 -0.55 8.60 8.14 3hs7B1 GLU 479 HA 0.00 0.21 0.60 -0.75 4.29 4.34 3hs7B1 GLU 479 HB2 0.02 -0.04 0.04 -0.04 2.09 2.07 3hs7B1 GLU 479 HB3 0.00 0.08 -0.06 -0.04 1.99 1.97 3hs7B1 GLU 479 HG2 0.02 0.14 0.04 -0.04 2.34 2.49 3hs7B1 GLU 479 HG3 0.05 -0.06 0.01 -0.04 2.34 2.29 3hs7B1 GLU 480 H -0.05 0.01 -0.34 -0.55 8.60 7.67 3hs7B1 GLU 480 HA -0.02 0.16 0.53 -0.75 4.29 4.20 3hs7B1 GLU 480 HB2 0.02 -0.10 0.09 -0.04 2.09 2.06 3hs7B1 GLU 480 HB3 0.05 0.02 0.06 -0.04 1.99 2.08 3hs7B1 GLU 480 HG2 0.19 0.09 0.03 -0.04 2.34 2.61 3hs7B1 GLU 480 HG3 0.06 0.04 0.05 -0.04 2.34 2.44 3hs7B1 LEU 481 H -0.30 0.13 -0.30 -0.55 8.37 7.34 3hs7B1 LEU 481 HA -1.41 0.07 0.47 -0.75 4.35 2.72 3hs7B1 LEU 481 HB2 -0.66 -0.04 0.11 -0.04 1.64 1.01 3hs7B1 LEU 481 HB3 -0.25 0.07 0.20 -0.04 1.64 1.62 3hs7B1 LEU 481 HG -0.18 0.09 -0.29 -0.04 1.64 1.22 3hs7B1 LEU 481 HD13 -0.22 0.01 0.03 -0.04 0.93 0.71 3hs7B1 LEU 481 HD23 -0.05 -0.02 -0.03 -0.04 0.89 0.75 3hs7B1 THR 482 H -0.13 0.18 -0.16 -0.55 8.28 7.61 3hs7B1 THR 482 HA -0.10 0.26 0.66 -0.75 4.39 4.46 3hs7B1 THR 482 HB -0.05 0.05 0.01 -0.04 4.32 4.30 3hs7B1 THR 482 HG23 -0.04 0.02 -0.11 -0.04 1.22 1.05 3hs7B1 GLY 483 H -0.07 0.40 -0.02 -0.55 8.43 8.19 3hs7B1 GLY 483 HA2 -0.03 0.02 0.35 -0.51 4.01 3.83 3hs7B1 GLY 483 HA3 -0.03 0.12 0.57 -0.51 4.01 4.16 3hs7B1 GLU 484 H -0.03 0.17 0.01 -0.55 8.60 8.21 3hs7B1 GLU 484 HA -0.02 0.13 0.70 -0.75 4.29 4.35 3hs7B1 GLU 484 HB2 -0.03 0.23 -0.19 -0.04 2.09 2.07 3hs7B1 GLU 484 HB3 -0.03 0.09 -0.24 -0.04 1.99 1.78 3hs7B1 GLU 484 HG2 -0.02 -0.29 0.11 -0.04 2.34 2.10 3hs7B1 GLU 484 HG3 -0.03 0.19 0.01 -0.04 2.34 2.48 3hs7B1 LYS 485 H -0.01 0.18 0.16 -0.55 8.42 8.20 3hs7B1 LYS 485 HA -0.00 0.15 0.62 -0.75 4.32 4.33 3hs7B1 LYS 485 HB2 -0.01 0.03 0.14 -0.04 1.87 1.99 3hs7B1 LYS 485 HB3 -0.01 0.03 -0.02 -0.04 1.79 1.76 3hs7B1 GLU 486 H -0.02 0.13 0.09 -0.55 8.60 8.26 3hs7B1 GLU 486 HA -0.02 0.10 0.25 -0.75 4.29 3.87 3hs7B1 GLU 486 HB2 -0.02 0.01 0.13 -0.04 2.09 2.17 3hs7B1 GLU 486 HB3 -0.02 0.04 0.13 -0.04 1.99 2.10 3hs7B1 GLU 486 HG2 -0.02 0.04 -0.16 -0.04 2.34 2.15 3hs7B1 GLU 486 HG3 -0.02 -0.02 0.03 -0.04 2.34 2.30 3hs7B1 MET 487 H -0.02 0.14 -0.07 -0.55 8.47 7.97 3hs7B1 MET 487 HA -0.03 0.15 0.46 -0.75 4.52 4.34 3hs7B1 MET 487 HB2 -0.03 0.00 0.03 -0.04 2.15 2.11 3hs7B1 MET 487 HB3 -0.03 0.02 -0.05 -0.04 2.03 1.93 3hs7B1 MET 487 HG2 -0.03 0.06 0.04 -0.04 2.63 2.67 3hs7B1 MET 487 HG3 -0.03 -0.06 0.03 -0.04 2.56 2.47 3hs7B1 MET 487 HE3 -0.04 0.06 -0.01 -0.04 2.10 2.08 3hs7B1 ALA 488 H -0.02 0.14 -0.38 -0.55 8.40 7.59 3hs7B1 ALA 488 HA -0.00 0.04 0.27 -0.75 4.34 3.89 3hs7B1 ALA 488 HB3 0.04 0.03 -0.10 -0.04 1.41 1.33 3hs7B1 ALA 489 H -0.03 0.40 -0.39 -0.55 8.40 7.83 3hs7B1 ALA 489 HA -0.05 0.01 0.54 -0.75 4.34 4.08 3hs7B1 ALA 489 HB3 -0.02 0.06 0.08 -0.04 1.41 1.49 3hs7B1 GLU 490 H -0.06 0.37 -0.09 -0.55 8.60 8.27 3hs7B1 GLU 490 HA -0.05 0.03 0.39 -0.75 4.29 3.90 3hs7B1 GLU 490 HB2 -0.04 0.13 0.14 -0.04 2.09 2.28 3hs7B1 GLU 490 HB3 -0.03 -0.04 -0.01 -0.04 1.99 1.87 3hs7B1 GLU 490 HG2 -0.03 0.06 0.10 -0.04 2.34 2.43 3hs7B1 GLU 490 HG3 -0.03 0.06 0.01 -0.04 2.34 2.34 3hs7B1 LEU 491 H -0.15 0.53 -0.23 -0.55 8.37 7.97 3hs7B1 LEU 491 HA -0.07 0.06 0.40 -0.75 4.35 3.99 3hs7B1 LEU 491 HB2 -0.37 0.05 0.07 -0.04 1.64 1.35 3hs7B1 LEU 491 HB3 -0.52 -0.07 -0.06 -0.04 1.64 0.95 3hs7B1 LEU 491 HG -0.07 0.11 -0.07 -0.04 1.64 1.57 3hs7B1 LEU 491 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 3hs7B1 LEU 491 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.76 3hs7B1 LYS 492 H -0.45 0.48 -0.16 -0.55 8.42 7.74 3hs7B1 LYS 492 HA -0.69 -0.06 0.40 -0.75 4.32 3.22 3hs7B1 LYS 492 HB2 -0.20 0.01 0.14 -0.04 1.87 1.77 3hs7B1 LYS 492 HB3 -0.11 0.13 0.10 -0.04 1.79 1.86 3hs7B1 LYS 492 HG2 0.03 0.02 -0.02 -0.04 1.46 1.45 3hs7B1 LYS 492 HG3 0.24 -0.06 -0.02 -0.04 1.46 1.58 3hs7B1 LYS 492 HD2 0.12 -0.08 0.02 -0.04 1.69 1.71 3hs7B1 LYS 492 HD3 0.03 0.04 -0.01 -0.04 1.68 1.69 3hs7B1 LYS 492 HE2 0.06 -0.02 0.01 -0.04 2.99 3.01 3hs7B1 LYS 492 HE3 0.06 0.03 0.00 -0.04 2.99 3.04 3hs7B1 ALA 493 H -0.13 0.44 -0.29 -0.55 8.40 7.88 3hs7B1 ALA 493 HA -0.04 0.04 0.42 -0.75 4.34 4.01 3hs7B1 ALA 493 HB3 -0.05 0.03 0.08 -0.04 1.41 1.44 3hs7B1 LEU 494 H -0.08 0.17 -0.65 -0.55 8.37 7.26 3hs7B1 LEU 494 HA -0.08 0.15 0.84 -0.75 4.35 4.50 3hs7B1 LEU 494 HB2 0.02 0.09 0.13 -0.04 1.64 1.84 3hs7B1 LEU 494 HB3 -0.21 -0.08 -0.01 -0.04 1.64 1.29 3hs7B1 LEU 494 HG -0.05 0.09 -0.13 -0.04 1.64 1.51 3hs7B1 LEU 494 HD13 -0.00 -0.02 -0.16 -0.04 0.93 0.71 3hs7B1 LEU 494 HD23 -0.07 -0.02 -0.03 -0.04 0.89 0.73 3hs7B1 TYR 495 H 0.06 0.42 0.15 -0.55 8.29 8.38 3hs7B1 TYR 495 HA 0.03 0.20 0.76 -0.75 4.56 4.80 3hs7B1 TYR 495 HB2 0.04 0.04 0.01 -0.04 3.06 3.11 3hs7B1 TYR 495 HB3 0.23 -0.00 -0.06 -0.04 2.98 3.11 3hs7B1 TYR 495 HD2 0.01 0.16 -0.05 -0.04 7.15 7.23 3hs7B1 TYR 495 HE2 0.03 0.03 0.03 -0.04 6.85 6.90 3hs7B1 SER 496 H 0.07 0.37 0.03 -0.55 8.46 8.38 3hs7B1 SER 496 HA 0.09 0.14 0.40 -0.75 4.49 4.38 3hs7B1 SER 496 HB2 0.09 0.14 0.04 -0.04 3.95 4.18 3hs7B1 SER 496 HB3 0.07 -0.06 0.01 -0.04 3.93 3.92 3hs7B1 ASP 497 H 0.27 0.59 -0.47 -0.55 8.40 8.25 3hs7B1 ASP 497 HA 0.15 0.16 0.87 -0.75 4.63 5.05 3hs7B1 ASP 497 HB2 0.09 0.08 -0.10 -0.04 2.71 2.74 3hs7B1 ASP 497 HB3 0.11 0.02 -0.01 -0.04 2.70 2.77 3hs7B1 ILE 498 H -0.11 0.25 0.06 -0.55 8.25 7.90 3hs7B1 ILE 498 HA -0.92 0.06 0.38 -0.75 4.18 2.94 3hs7B1 ILE 498 HB -0.68 -0.12 -0.12 -0.04 1.89 0.92 3hs7B1 ILE 498 HG12 -0.24 -0.04 -0.50 -0.04 1.49 0.67 3hs7B1 ILE 498 HG13 -0.21 0.07 -0.20 -0.04 1.21 0.84 3hs7B1 ILE 498 HG23 -0.13 0.03 -0.17 -0.04 0.93 0.62 3hs7B1 ILE 498 HD13 -0.71 -0.04 -0.18 -0.04 0.88 -0.10 3hs7B1 ASP 499 H -0.04 0.08 -0.28 -0.55 8.40 7.61 3hs7B1 ASP 499 HA -0.03 0.09 0.43 -0.75 4.63 4.38 3hs7B1 ASP 499 HB2 0.00 -0.03 -0.01 -0.04 2.71 2.63 3hs7B1 ASP 499 HB3 -0.00 0.08 0.09 -0.04 2.70 2.83 3hs7B1 VAL 500 H 0.07 0.28 -0.63 -0.55 8.24 7.41 3hs7B1 VAL 500 HA 0.09 0.23 0.83 -0.75 4.13 4.53 3hs7B1 VAL 500 HB 0.16 0.02 0.09 -0.04 2.12 2.36 3hs7B1 VAL 500 HG13 0.07 -0.01 -0.44 -0.04 0.97 0.56 3hs7B1 VAL 500 HG23 0.26 -0.01 -0.00 -0.04 0.95 1.15 3hs7B1 MET 501 H 0.01 0.24 -0.13 -0.55 8.47 8.04 3hs7B1 MET 501 HA -0.49 0.03 0.52 -0.75 4.52 3.82 3hs7B1 MET 501 HB2 -0.07 -0.02 0.12 -0.04 2.15 2.14 3hs7B1 MET 501 HB3 -0.08 -0.01 0.14 -0.04 2.03 2.05 3hs7B1 MET 501 HG2 -0.07 -0.03 -0.02 -0.04 2.63 2.46 3hs7B1 MET 501 HG3 -0.11 0.20 -0.15 -0.04 2.56 2.46 3hs7B1 MET 501 HE3 -0.11 0.01 -0.16 -0.04 2.10 1.80 3hs7B1 GLU 502 H -0.10 0.09 0.16 -0.55 8.60 8.20 3hs7B1 GLU 502 HA 0.13 0.19 0.43 -0.75 4.29 4.29 3hs7B1 GLU 502 HB2 0.16 -0.07 0.05 -0.04 2.09 2.19 3hs7B1 GLU 502 HB3 0.14 -0.03 0.07 -0.04 1.99 2.13 3hs7B1 GLU 502 HG2 0.20 0.14 -0.04 -0.04 2.34 2.60 3hs7B1 GLU 502 HG3 0.47 0.01 0.08 -0.04 2.34 2.86 3hs7B1 LEU 503 H 0.13 0.27 0.09 -0.55 8.37 8.31 3hs7B1 LEU 503 HA 0.05 0.06 0.33 -0.75 4.35 4.04 3hs7B1 LEU 503 HB2 -0.01 0.12 -0.03 -0.04 1.64 1.68 3hs7B1 LEU 503 HB3 0.06 0.00 0.09 -0.04 1.64 1.76 3hs7B1 LEU 503 HG -0.02 -0.01 -0.36 -0.04 1.64 1.21 3hs7B1 LEU 503 HD13 -0.05 0.00 -0.06 -0.04 0.93 0.78 3hs7B1 LEU 503 HD23 -0.47 0.02 -0.06 -0.04 0.89 0.34 3hs7B1 TYR 504 H 0.15 0.10 -0.04 -0.55 8.29 7.95 3hs7B1 TYR 504 HA -0.01 0.13 0.28 -0.75 4.56 4.20 3hs7B1 TYR 504 HB2 -0.09 0.03 -0.00 -0.04 3.06 2.96 3hs7B1 TYR 504 HB3 -0.04 -0.01 0.01 -0.04 2.98 2.90 3hs7B1 TYR 504 HD2 -0.01 0.01 -0.13 -0.04 7.15 6.98 3hs7B1 TYR 504 HE2 0.11 0.10 0.03 -0.04 6.85 7.05 3hs7B1 PRO 505 HA -0.26 0.13 0.40 -0.51 4.44 4.20 3hs7B1 PRO 505 HB2 0.00 0.04 -0.12 -0.04 2.28 2.16 3hs7B1 PRO 505 HB3 0.03 0.05 -0.02 -0.04 2.02 2.03 3hs7B1 PRO 505 HG2 0.17 0.03 -0.01 -0.04 2.03 2.18 3hs7B1 PRO 505 HG3 0.17 0.05 -0.01 -0.04 2.03 2.19 3hs7B1 PRO 505 HD2 0.08 0.10 -0.36 -0.04 3.68 3.45 3hs7B1 PRO 505 HD3 0.20 0.05 0.02 -0.04 3.65 3.88 3hs7B1 ALA 506 H -0.04 0.26 -0.57 -0.55 8.40 7.49 3hs7B1 ALA 506 HA -0.06 0.01 0.32 -0.75 4.34 3.85 3hs7B1 ALA 506 HB3 -0.01 0.06 0.04 -0.04 1.41 1.45 3hs7B1 LEU 507 H -0.08 0.42 -0.20 -0.55 8.37 7.96 3hs7B1 LEU 507 HA -0.03 -0.07 0.41 -0.75 4.35 3.91 3hs7B1 LEU 507 HB2 -0.09 0.18 0.09 -0.04 1.64 1.78 3hs7B1 LEU 507 HB3 -0.02 -0.02 0.01 -0.04 1.64 1.57 3hs7B1 LEU 507 HG -0.01 0.19 0.04 -0.04 1.64 1.82 3hs7B1 LEU 507 HD13 0.05 0.00 -0.07 -0.04 0.93 0.87 3hs7B1 LEU 507 HD23 -0.02 -0.03 -0.11 -0.04 0.89 0.68 3hs7B1 LEU 508 H -0.18 0.25 -0.31 -0.55 8.37 7.58 3hs7B1 LEU 508 HA -0.06 0.27 0.59 -0.75 4.35 4.39 3hs7B1 LEU 508 HB2 -0.18 -0.00 0.07 -0.04 1.64 1.49 3hs7B1 LEU 508 HB3 -0.08 0.04 0.12 -0.04 1.64 1.68 3hs7B1 LEU 508 HG -0.54 0.09 0.03 -0.04 1.64 1.18 3hs7B1 LEU 508 HD13 -0.10 -0.03 0.01 -0.04 0.93 0.77 3hs7B1 LEU 508 HD23 0.03 0.03 -0.09 -0.04 0.89 0.83 3hs7B1 VAL 509 H -0.08 0.23 -0.26 -0.55 8.24 7.58 3hs7B1 VAL 509 HA -0.06 0.18 0.82 -0.75 4.13 4.32 3hs7B1 VAL 509 HB -0.05 -0.08 0.03 -0.04 2.12 1.98 3hs7B1 VAL 509 HG13 -0.05 0.03 -0.06 -0.04 0.97 0.86 3hs7B1 VAL 509 HG23 -0.06 0.00 -0.12 -0.04 0.95 0.73 3hs7B1 GLU 510 H -0.06 0.15 -0.25 -0.55 8.60 7.90 3hs7B1 GLU 510 HA -0.09 0.09 0.31 -0.75 4.29 3.85 3hs7B1 GLU 510 HB2 -0.02 0.17 0.18 -0.04 2.09 2.39 3hs7B1 GLU 510 HB3 -0.02 -0.07 0.05 -0.04 1.99 1.91 3hs7B1 GLU 510 HG2 0.02 0.28 0.00 -0.04 2.34 2.60 3hs7B1 GLU 510 HG3 -0.00 0.07 0.16 -0.04 2.34 2.53 3hs7B1 LYS 511 H -0.09 0.63 0.40 -0.55 8.42 8.81 3hs7B1 LYS 511 HA -0.05 0.20 0.58 -0.75 4.32 4.30 3hs7B1 LYS 511 HB2 -0.06 -0.09 -0.41 -0.04 1.87 1.27 3hs7B1 LYS 511 HB3 -0.02 -0.15 0.06 -0.04 1.79 1.65 3hs7B1 LYS 511 HG2 -0.02 0.26 -0.11 -0.04 1.46 1.55 3hs7B1 LYS 511 HG3 -0.02 -0.00 0.00 -0.04 1.46 1.40 3hs7B1 LYS 511 HD2 0.00 -0.06 -0.04 -0.04 1.69 1.55 3hs7B1 LYS 511 HD3 0.02 -0.09 -0.09 -0.04 1.68 1.47 3hs7B1 LYS 511 HE2 0.02 -0.09 -0.02 -0.04 2.99 2.86 3hs7B1 LYS 511 HE3 0.00 0.13 -0.02 -0.04 2.99 3.07 3hs7B1 PRO 512 HA -0.04 -0.07 0.27 -0.51 4.44 4.09 3hs7B1 PRO 512 HB2 -0.07 0.12 -0.09 -0.04 2.28 2.20 3hs7B1 PRO 512 HB3 -0.09 0.04 -0.24 -0.04 2.02 1.68 3hs7B1 PRO 512 HG2 -0.07 0.01 -0.01 -0.04 2.03 1.91 3hs7B1 PRO 512 HG3 -0.07 0.03 -0.19 -0.04 2.03 1.76 3hs7B1 PRO 512 HD2 -0.04 0.02 0.19 -0.04 3.68 3.80 3hs7B1 PRO 512 HD3 -0.05 0.19 0.32 -0.04 3.65 4.06 3hs7B1 ARG 513 H -0.07 0.39 0.22 -0.55 8.46 8.45 3hs7B1 ARG 513 HA -0.03 0.04 0.56 -0.75 4.34 4.15 3hs7B1 ARG 513 HB2 -0.17 0.07 0.11 -0.04 1.90 1.87 3hs7B1 ARG 513 HB3 -0.07 0.11 -0.03 -0.04 1.80 1.77 3hs7B1 ARG 513 HG2 -1.01 0.03 -0.01 -0.04 1.67 0.65 3hs7B1 ARG 513 HG3 -0.15 -0.03 0.06 -0.04 1.67 1.51 3hs7B1 ARG 513 HD2 -0.10 -0.08 -0.08 -0.04 3.22 2.92 3hs7B1 ARG 513 HD3 -0.21 0.09 -0.17 -0.04 3.22 2.89 3hs7B1 PRO 514 HA 0.01 -0.00 0.35 -0.51 4.44 4.28 3hs7B1 PRO 514 HB2 0.09 0.06 0.09 -0.04 2.28 2.49 3hs7B1 PRO 514 HB3 0.06 -0.01 0.08 -0.04 2.02 2.11 3hs7B1 PRO 514 HG2 0.18 0.02 0.08 -0.04 2.03 2.26 3hs7B1 PRO 514 HG3 0.09 0.02 0.09 -0.04 2.03 2.19 3hs7B1 PRO 514 HD2 0.16 0.12 0.14 -0.04 3.68 4.05 3hs7B1 PRO 514 HD3 0.06 0.09 0.21 -0.04 3.65 3.97 3hs7B1 ASP 515 H -0.03 0.10 0.18 -0.55 8.40 8.10 3hs7B1 ASP 515 HA -0.07 -0.00 0.32 -0.75 4.63 4.12 3hs7B1 ASP 515 HB2 -0.05 0.16 -0.08 -0.04 2.71 2.70 3hs7B1 ASP 515 HB3 -0.07 0.02 0.16 -0.04 2.70 2.77 3hs7B1 ALA 516 H -0.08 0.51 -0.29 -0.55 8.40 7.99 3hs7B1 ALA 516 HA -0.17 0.16 0.81 -0.75 4.34 4.39 3hs7B1 ALA 516 HB3 -0.08 0.01 -0.07 -0.04 1.41 1.23 3hs7B1 ILE 517 H -0.38 0.21 0.19 -0.55 8.25 7.72 3hs7B1 ILE 517 HA -0.38 0.12 0.58 -0.75 4.18 3.74 3hs7B1 ILE 517 HB -0.55 -0.04 0.14 -0.04 1.89 1.40 3hs7B1 ILE 517 HG12 -1.37 -0.02 -0.03 -0.04 1.49 0.03 3hs7B1 ILE 517 HG13 -0.53 -0.14 0.25 -0.04 1.21 0.75 3hs7B1 ILE 517 HG23 -1.18 0.03 0.08 -0.04 0.93 -0.18 3hs7B1 ILE 517 HD13 -0.52 0.02 0.04 -0.04 0.88 0.38 3hs7B1 PHE 518 H -0.31 0.14 0.01 -0.55 8.34 7.63 3hs7B1 PHE 518 HA -0.20 0.17 0.97 -0.75 4.62 4.81 3hs7B1 PHE 518 HB2 -0.17 0.06 0.00 -0.04 3.15 2.99 3hs7B1 PHE 518 HB3 -0.16 -0.07 0.09 -0.04 3.06 2.88 3hs7B1 PHE 518 HD2 -0.31 0.06 -0.06 -0.04 7.28 6.94 3hs7B1 PHE 518 HE2 -0.89 0.02 -0.05 -0.04 7.38 6.41 3hs7B1 PHE 518 HZ -2.28 0.01 -0.05 -0.04 7.32 4.96 3hs7B1 GLY 519 H 0.06 0.11 0.12 -0.55 8.43 8.17 3hs7B1 GLY 519 HA2 -0.02 0.16 0.81 -0.51 4.01 4.44 3hs7B1 GLY 519 HA3 0.01 0.11 0.28 -0.51 4.01 3.89 3hs7B1 GLU 520 H 0.03 0.28 0.13 -0.55 8.60 8.49 3hs7B1 GLU 520 HA -0.03 0.12 0.31 -0.75 4.29 3.95 3hs7B1 GLU 520 HB2 0.02 0.06 0.10 -0.04 2.09 2.23 3hs7B1 GLU 520 HB3 0.05 -0.02 0.11 -0.04 1.99 2.09 3hs7B1 GLU 520 HG2 -0.02 0.03 -0.19 -0.04 2.34 2.12 3hs7B1 GLU 520 HG3 -0.01 -0.00 -0.02 -0.04 2.34 2.27 3hs7B1 THR 521 H 0.03 0.10 -0.07 -0.55 8.28 7.80 3hs7B1 THR 521 HA -0.04 0.14 0.24 -0.75 4.39 3.98 3hs7B1 THR 521 HB 0.01 -0.01 -0.01 -0.04 4.32 4.26 3hs7B1 THR 521 HG23 -0.01 0.02 -0.13 -0.04 1.22 1.06 3hs7B1 MET 522 H -0.04 0.06 -0.25 -0.55 8.47 7.69 3hs7B1 MET 522 HA -0.08 0.06 0.32 -0.75 4.52 4.07 3hs7B1 MET 522 HB2 -0.11 0.01 0.09 -0.04 2.15 2.09 3hs7B1 MET 522 HB3 -0.14 0.06 0.07 -0.04 2.03 1.98 3hs7B1 MET 522 HG2 -1.37 -0.00 -0.05 -0.04 2.63 1.16 3hs7B1 MET 522 HG3 -0.57 -0.01 -0.24 -0.04 2.56 1.70 3hs7B1 MET 522 HE3 -0.06 -0.01 -0.06 -0.04 2.10 1.94 3hs7B1 VAL 523 H -0.06 0.34 -0.22 -0.55 8.24 7.76 3hs7B1 VAL 523 HA -0.04 0.02 0.39 -0.75 4.13 3.74 3hs7B1 VAL 523 HB -0.01 0.09 0.10 -0.04 2.12 2.26 3hs7B1 VAL 523 HG13 0.07 0.01 -0.12 -0.04 0.97 0.89 3hs7B1 VAL 523 HG23 0.05 0.02 -0.03 -0.04 0.95 0.94 3hs7B1 GLU 524 H -0.05 0.50 -0.08 -0.55 8.60 8.42 3hs7B1 GLU 524 HA -0.03 0.06 0.30 -0.75 4.29 3.86 3hs7B1 GLU 524 HB2 -0.05 -0.01 0.04 -0.04 2.09 2.03 3hs7B1 GLU 524 HB3 -0.01 0.12 0.10 -0.04 1.99 2.17 3hs7B1 GLU 524 HG2 -0.01 0.06 0.08 -0.04 2.34 2.44 3hs7B1 GLU 524 HG3 0.00 -0.07 0.00 -0.04 2.34 2.23 3hs7B1 LEU 525 H -0.19 0.27 -0.40 -0.55 8.37 7.51 3hs7B1 LEU 525 HA -1.06 0.20 0.84 -0.75 4.35 3.57 3hs7B1 LEU 525 HB2 -0.23 0.16 0.09 -0.04 1.64 1.62 3hs7B1 LEU 525 HB3 -0.21 -0.10 -0.10 -0.04 1.64 1.18 3hs7B1 LEU 525 HG -1.57 0.03 -0.03 -0.04 1.64 0.04 3hs7B1 LEU 525 HD13 -0.33 0.04 -0.19 -0.04 0.93 0.41 3hs7B1 LEU 525 HD23 -0.13 -0.05 -0.12 -0.04 0.89 0.55 3hs7B1 GLY 526 H -0.05 0.63 0.06 -0.55 8.43 8.53 3hs7B1 GLY 526 HA2 0.35 -0.05 0.38 -0.51 4.01 4.18 3hs7B1 GLY 526 HA3 0.15 0.08 0.34 -0.51 4.01 4.07 3hs7B1 ALA 527 H 0.01 0.77 0.05 -0.55 8.40 8.69 3hs7B1 ALA 527 HA 0.11 -0.08 0.31 -0.75 4.34 3.92 3hs7B1 ALA 527 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 3hs7B1 PRO 528 HA -0.04 0.03 0.45 -0.51 4.44 4.37 3hs7B1 PRO 528 HB2 -0.20 -0.01 -0.09 -0.04 2.28 1.95 3hs7B1 PRO 528 HB3 -0.10 0.27 0.14 -0.04 2.02 2.29 3hs7B1 PRO 528 HG2 -0.31 0.09 0.01 -0.04 2.03 1.78 3hs7B1 PRO 528 HG3 -0.00 0.21 0.10 -0.04 2.03 2.29 3hs7B1 PRO 528 HD2 -0.12 -0.06 -0.61 -0.04 3.68 2.85 3hs7B1 PRO 528 HD3 -0.05 0.11 -0.01 -0.04 3.65 3.66 3hs7B1 PHE 529 H -0.28 0.43 -0.20 -0.55 8.34 7.73 3hs7B1 PHE 529 HA -0.28 0.06 0.42 -0.75 4.62 4.07 3hs7B1 PHE 529 HB2 -0.88 0.17 0.13 -0.04 3.15 2.53 3hs7B1 PHE 529 HB3 -1.92 -0.11 -0.01 -0.04 3.06 0.97 3hs7B1 PHE 529 HD2 -0.10 0.04 -0.04 -0.04 7.28 7.15 3hs7B1 PHE 529 HE2 0.03 -0.01 -0.07 -0.04 7.38 7.29 3hs7B1 PHE 529 HZ 0.28 -0.08 0.00 -0.04 7.32 7.48 3hs7B1 SER 530 H -0.04 0.55 -0.24 -0.55 8.46 8.18 3hs7B1 SER 530 HA 0.12 0.00 0.35 -0.75 4.49 4.21 3hs7B1 SER 530 HB2 0.37 0.00 0.03 -0.04 3.95 4.31 3hs7B1 SER 530 HB3 0.17 0.00 0.16 -0.04 3.93 4.22 3hs7B1 LEU 531 H 0.07 0.70 0.05 -0.55 8.37 8.64 3hs7B1 LEU 531 HA 0.09 -0.05 0.34 -0.75 4.35 3.98 3hs7B1 LEU 531 HB2 0.05 0.13 0.09 -0.04 1.64 1.88 3hs7B1 LEU 531 HB3 0.06 -0.02 0.03 -0.04 1.64 1.66 3hs7B1 LEU 531 HG 0.08 0.11 0.09 -0.04 1.64 1.88 3hs7B1 LEU 531 HD13 0.05 -0.01 -0.11 -0.04 0.93 0.83 3hs7B1 LEU 531 HD23 0.09 -0.03 -0.04 -0.04 0.89 0.87 3hs7B1 LYS 532 H 0.05 0.48 -0.29 -0.55 8.42 8.10 3hs7B1 LYS 532 HA 0.24 0.04 0.47 -0.75 4.32 4.32 3hs7B1 LYS 532 HB2 0.04 0.13 0.13 -0.04 1.87 2.12 3hs7B1 LYS 532 HB3 0.02 0.03 0.09 -0.04 1.79 1.89 3hs7B1 LYS 532 HG2 -0.03 -0.00 -0.00 -0.04 1.46 1.38 3hs7B1 LYS 532 HG3 -0.03 -0.01 -0.06 -0.04 1.46 1.33 3hs7B1 LYS 532 HD2 -0.12 -0.05 0.13 -0.04 1.69 1.61 3hs7B1 LYS 532 HD3 0.03 -0.02 0.08 -0.04 1.68 1.73 3hs7B1 LYS 532 HE2 -0.53 -0.13 0.10 -0.04 2.99 2.39 3hs7B1 LYS 532 HE3 -0.17 0.05 0.00 -0.04 2.99 2.84 3hs7B1 GLY 533 H -0.00 0.43 -0.19 -0.55 8.43 8.12 3hs7B1 GLY 533 HA2 -0.03 0.03 0.36 -0.51 4.01 3.86 3hs7B1 GLY 533 HA3 -0.09 -0.01 0.30 -0.51 4.01 3.70 3hs7B1 LEU 534 H 0.08 0.44 -0.22 -0.55 8.37 8.13 3hs7B1 LEU 534 HA 0.08 0.01 0.51 -0.75 4.35 4.19 3hs7B1 LEU 534 HB2 0.08 0.05 0.11 -0.04 1.64 1.84 3hs7B1 LEU 534 HB3 0.01 -0.04 -0.02 -0.04 1.64 1.55 3hs7B1 LEU 534 HG 0.15 0.06 -0.06 -0.04 1.64 1.76 3hs7B1 LEU 534 HD13 0.12 -0.02 -0.19 -0.04 0.93 0.80 3hs7B1 LEU 534 HD23 0.11 -0.02 -0.05 -0.04 0.89 0.88 3hs7B1 MET 535 H 0.14 0.73 0.12 -0.55 8.47 8.91 3hs7B1 MET 535 HA 0.17 0.00 0.45 -0.75 4.52 4.39 3hs7B1 MET 535 HB2 0.06 0.13 0.05 -0.04 2.15 2.35 3hs7B1 MET 535 HB3 -0.24 -0.03 0.01 -0.04 2.03 1.73 3hs7B1 MET 535 HG2 0.04 0.05 0.09 -0.04 2.63 2.76 3hs7B1 MET 535 HG3 -0.14 -0.02 -0.01 -0.04 2.56 2.35 3hs7B1 MET 535 HE3 -0.14 -0.01 -0.11 -0.04 2.10 1.80 3hs7B1 GLY 536 H 0.27 0.45 -0.29 -0.55 8.43 8.31 3hs7B1 GLY 536 HA2 0.38 0.01 0.41 -0.51 4.01 4.30 3hs7B1 GLY 536 HA3 0.13 0.19 0.24 -0.51 4.01 4.05 3hs7B1 ASN 537 H 0.19 0.24 -0.74 -0.55 8.53 7.68 3hs7B1 ASN 537 HA 0.08 0.10 0.47 -0.75 4.76 4.65 3hs7B1 ASN 537 HB2 0.10 0.18 0.13 -0.04 2.88 3.25 3hs7B1 ASN 537 HB3 0.14 -0.08 0.04 -0.04 2.79 2.85 3hs7B1 ASN 537 HD21 0.06 0.26 0.08 -0.04 7.03 7.39 3hs7B1 ASN 537 HD22 0.07 -0.11 0.09 -0.04 7.74 7.75 3hs7B1 PRO 538 HA -0.12 0.12 0.39 -0.51 4.44 4.32 3hs7B1 PRO 538 HB2 -0.75 -0.02 -0.01 -0.04 2.28 1.46 3hs7B1 PRO 538 HB3 -0.19 0.08 0.13 -0.04 2.02 2.01 3hs7B1 PRO 538 HG2 -0.17 -0.02 0.05 -0.04 2.03 1.86 3hs7B1 PRO 538 HG3 -0.10 0.05 0.07 -0.04 2.03 2.01 3hs7B1 PRO 538 HD2 0.01 0.06 0.20 -0.04 3.68 3.91 3hs7B1 PRO 538 HD3 0.00 0.26 0.18 -0.04 3.65 4.05 3hs7B1 ILE 539 H 0.01 0.14 -0.36 -0.55 8.25 7.48 3hs7B1 ILE 539 HA 0.18 0.07 0.46 -0.75 4.18 4.13 3hs7B1 ILE 539 HB 0.67 0.02 0.04 -0.04 1.89 2.58 3hs7B1 ILE 539 HG12 0.24 -0.00 -0.09 -0.04 1.49 1.59 3hs7B1 ILE 539 HG13 0.34 0.09 -0.37 -0.04 1.21 1.24 3hs7B1 ILE 539 HG23 0.22 0.00 -0.01 -0.04 0.93 1.10 3hs7B1 ILE 539 HD13 0.49 0.01 -0.12 -0.04 0.88 1.22 3hs7B1 CYS 540 H 0.12 0.48 -0.40 -0.55 8.50 8.15 3hs7B1 CYS 540 HA -0.03 0.04 0.67 -0.75 4.58 4.51 3hs7B1 CYS 540 HB2 0.24 0.42 0.07 -0.04 2.97 3.66 3hs7B1 CYS 540 HB3 0.06 -0.12 0.14 -0.04 2.97 3.00 3hs7B1 SER 541 H -0.11 0.26 -0.35 -0.55 8.46 7.71 3hs7B1 SER 541 HA -0.93 0.19 0.54 -0.75 4.49 3.54 3hs7B1 SER 541 HB2 -0.35 -0.05 0.12 -0.04 3.95 3.63 3hs7B1 SER 541 HB3 -0.66 0.08 0.12 -0.04 3.93 3.43 3hs7B1 PRO 542 HA -0.46 0.11 0.33 -0.51 4.44 3.91 3hs7B1 PRO 542 HB2 -0.23 -0.02 0.02 -0.04 2.28 2.01 3hs7B1 PRO 542 HB3 -0.62 0.03 0.08 -0.04 2.02 1.47 3hs7B1 PRO 542 HG2 -0.19 0.06 0.11 -0.04 2.03 1.96 3hs7B1 PRO 542 HG3 -1.03 0.08 0.11 -0.04 2.03 1.14 3hs7B1 PRO 542 HD2 -0.18 0.06 0.21 -0.04 3.68 3.74 3hs7B1 PRO 542 HD3 -0.14 0.25 0.22 -0.04 3.65 3.95 3hs7B1 GLN 543 H -0.01 0.11 -0.29 -0.55 8.47 7.73 3hs7B1 GLN 543 HA -0.04 0.12 0.45 -0.75 4.36 4.13 3hs7B1 GLN 543 HB2 0.06 0.02 0.02 -0.04 2.15 2.21 3hs7B1 GLN 543 HB3 -0.06 0.00 0.04 -0.04 2.02 1.96 3hs7B1 GLN 543 HG2 -0.03 -0.02 -0.04 -0.04 2.40 2.27 3hs7B1 GLN 543 HG3 -0.01 0.00 -0.00 -0.04 2.39 2.34 3hs7B1 GLN 543 HE21 -0.04 -0.03 -0.01 -0.04 6.97 6.85 3hs7B1 GLN 543 HE22 -0.03 -0.00 -0.00 -0.04 7.69 7.61 3hs7B1 TYR 544 H 0.26 0.34 -0.34 -0.55 8.29 8.01 3hs7B1 TYR 544 HA -0.05 0.09 0.87 -0.75 4.56 4.71 3hs7B1 TYR 544 HB2 0.12 0.20 0.13 -0.04 3.06 3.47 3hs7B1 TYR 544 HB3 0.15 -0.04 0.03 -0.04 2.98 3.09 3hs7B1 TYR 544 HD2 -0.00 -0.07 -0.08 -0.04 7.15 6.96 3hs7B1 TYR 544 HE2 -0.00 -0.03 -0.05 -0.04 6.85 6.73 3hs7B1 TRP 545 H 0.42 0.42 -0.14 -0.55 7.97 8.13 3hs7B1 TRP 545 HA 0.38 0.10 0.43 -0.75 4.62 4.78 3hs7B1 TRP 545 HB2 0.35 0.15 -0.09 -0.04 3.23 3.59 3hs7B1 TRP 545 HB3 0.41 -0.05 0.06 -0.04 3.23 3.61 3hs7B1 TRP 545 HD1 0.35 -0.04 0.00 -0.04 7.22 7.49 3hs7B1 TRP 545 HE1 0.11 -0.07 -0.01 -0.04 10.20 10.19 3hs7B1 TRP 545 HE3 0.51 0.34 0.00 -0.04 7.59 8.40 3hs7B1 TRP 545 HZ2 -0.27 0.01 -0.03 -0.04 7.44 7.11 3hs7B1 TRP 545 HZ3 0.29 -0.02 -0.07 -0.04 7.13 7.29 3hs7B1 TRP 545 HH2 0.02 0.00 -0.09 -0.04 7.19 7.08 3hs7B1 LYS 546 H -0.17 0.73 0.22 -0.55 8.42 8.64 3hs7B1 LYS 546 HA -0.37 0.18 0.73 -0.75 4.32 4.10 3hs7B1 LYS 546 HB2 -0.22 -0.08 -0.09 -0.04 1.87 1.44 3hs7B1 LYS 546 HB3 -0.18 -0.12 0.02 -0.04 1.79 1.47 3hs7B1 LYS 546 HG2 -0.05 0.10 -0.21 -0.04 1.46 1.25 3hs7B1 LYS 546 HG3 -0.04 0.03 -0.71 -0.04 1.46 0.70 3hs7B1 LYS 546 HD2 -0.12 0.03 -0.09 -0.04 1.69 1.47 3hs7B1 LYS 546 HD3 -0.08 -0.11 -0.06 -0.04 1.68 1.39 3hs7B1 LYS 546 HE2 -0.04 0.01 -0.06 -0.04 2.99 2.86 3hs7B1 LYS 546 HE3 -0.05 0.09 -0.03 -0.04 2.99 2.96 3hs7B1 PRO 547 HA -0.43 0.16 0.39 -0.51 4.44 4.05 3hs7B1 PRO 547 HB2 -0.09 -0.01 -0.08 -0.04 2.28 2.06 3hs7B1 PRO 547 HB3 -0.04 -0.03 -0.27 -0.04 2.02 1.65 3hs7B1 PRO 547 HG2 -0.09 0.05 0.04 -0.04 2.03 1.99 3hs7B1 PRO 547 HG3 -0.16 0.09 0.02 -0.04 2.03 1.94 3hs7B1 PRO 547 HD2 -0.22 0.09 0.19 -0.04 3.68 3.70 3hs7B1 PRO 547 HD3 -0.47 0.24 0.14 -0.04 3.65 3.52 3hs7B1 SER 548 H -0.17 0.17 -0.23 -0.55 8.46 7.68 3hs7B1 SER 548 HA -0.01 -0.01 0.35 -0.75 4.49 4.07 3hs7B1 SER 548 HB2 -0.06 0.06 -0.02 -0.04 3.95 3.88 3hs7B1 SER 548 HB3 -0.05 -0.01 0.05 -0.04 3.93 3.88 3hs7B1 THR 549 H -0.35 0.24 -0.28 -0.55 8.28 7.34 3hs7B1 THR 549 HA -0.34 0.02 0.43 -0.75 4.39 3.75 3hs7B1 THR 549 HB -1.53 0.13 0.14 -0.04 4.32 3.01 3hs7B1 THR 549 HG23 -0.47 -0.02 0.06 -0.04 1.22 0.74 3hs7B1 PHE 550 H -0.15 0.29 -0.46 -0.55 8.34 7.47 3hs7B1 PHE 550 HA 0.11 0.22 0.75 -0.75 4.62 4.94 3hs7B1 PHE 550 HB2 0.10 -0.04 -0.11 -0.04 3.15 3.06 3hs7B1 PHE 550 HB3 0.14 0.01 -0.03 -0.04 3.06 3.14 3hs7B1 PHE 550 HD2 -0.05 -0.02 -0.16 -0.04 7.28 7.01 3hs7B1 PHE 550 HE2 -0.03 -0.01 -0.07 -0.04 7.38 7.23 3hs7B1 PHE 550 HZ 0.48 0.09 -0.05 -0.04 7.32 7.80 3hs7B1 GLY 551 H 0.15 0.37 -0.23 -0.55 8.43 8.18 3hs7B1 GLY 551 HA2 0.37 0.02 0.28 -0.51 4.01 4.17 3hs7B1 GLY 551 HA3 0.31 0.09 0.46 -0.51 4.01 4.36 3hs7B1 GLY 552 H 0.12 0.58 -0.04 -0.55 8.43 8.54 3hs7B1 GLY 552 HA2 0.06 -0.03 0.12 -0.51 4.01 3.65 3hs7B1 GLY 552 HA3 0.08 0.19 0.83 -0.51 4.01 4.60 3hs7B1 GLU 553 H 0.04 0.19 0.13 -0.55 8.60 8.42 3hs7B1 GLU 553 HA 0.15 0.09 0.38 -0.75 4.29 4.15 3hs7B1 GLU 553 HB2 0.04 0.02 0.11 -0.04 2.09 2.21 3hs7B1 GLU 553 HB3 0.07 0.06 0.02 -0.04 1.99 2.10 3hs7B1 GLU 553 HG2 0.04 -0.07 0.06 -0.04 2.34 2.33 3hs7B1 GLU 553 HG3 0.04 0.05 0.04 -0.04 2.34 2.43 3hs7B1 VAL 554 H 0.05 0.12 -0.16 -0.55 8.24 7.69 3hs7B1 VAL 554 HA 0.04 0.10 0.44 -0.75 4.13 3.96 3hs7B1 VAL 554 HB 0.01 0.04 0.03 -0.04 2.12 2.15 3hs7B1 VAL 554 HG13 0.01 0.03 -0.16 -0.04 0.97 0.81 3hs7B1 VAL 554 HG23 -0.01 0.00 0.01 -0.04 0.95 0.91 3hs7B1 GLY 555 H 0.12 0.15 -0.34 -0.55 8.43 7.81 3hs7B1 GLY 555 HA2 0.12 0.03 0.42 -0.51 4.01 4.07 3hs7B1 GLY 555 HA3 0.20 0.47 0.27 -0.51 4.01 4.45 3hs7B1 PHE 556 H 0.25 0.29 -0.33 -0.55 8.34 8.00 3hs7B1 PHE 556 HA -0.24 0.07 0.41 -0.75 4.62 4.11 3hs7B1 PHE 556 HB2 0.04 0.07 0.09 -0.04 3.15 3.32 3hs7B1 PHE 556 HB3 -0.05 0.06 0.05 -0.04 3.06 3.08 3hs7B1 PHE 556 HD2 -0.37 -0.01 -0.04 -0.04 7.28 6.82 3hs7B1 PHE 556 HE2 -1.28 0.03 -0.10 -0.04 7.38 5.99 3hs7B1 PHE 556 HZ -1.76 0.05 -0.15 -0.04 7.32 5.42 3hs7B1 LYS 557 H 0.07 0.44 -0.23 -0.55 8.42 8.15 3hs7B1 LYS 557 HA -0.12 0.02 0.42 -0.75 4.32 3.88 3hs7B1 LYS 557 HB2 0.02 0.18 0.19 -0.04 1.87 2.23 3hs7B1 LYS 557 HB3 0.00 0.05 -0.03 -0.04 1.79 1.77 3hs7B1 LYS 557 HG2 -0.02 -0.00 -0.01 -0.04 1.46 1.39 3hs7B1 LYS 557 HG3 -0.03 -0.03 0.01 -0.04 1.46 1.38 3hs7B1 LYS 557 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 3hs7B1 LYS 557 HD3 0.00 -0.00 -0.04 -0.04 1.68 1.60 3hs7B1 LYS 557 HE2 0.00 0.01 -0.02 -0.04 2.99 2.94 3hs7B1 LYS 557 HE3 0.02 -0.03 -0.04 -0.04 2.99 2.89 3hs7B1 ILE 558 H 0.02 0.36 -0.36 -0.55 8.25 7.72 3hs7B1 ILE 558 HA 0.02 0.02 0.33 -0.75 4.18 3.80 3hs7B1 ILE 558 HB 0.05 0.21 0.12 -0.04 1.89 2.23 3hs7B1 ILE 558 HG12 0.03 -0.05 -0.02 -0.04 1.49 1.41 3hs7B1 ILE 558 HG13 0.04 0.18 0.05 -0.04 1.21 1.44 3hs7B1 ILE 558 HG23 0.07 -0.02 -0.13 -0.04 0.93 0.81 3hs7B1 ILE 558 HD13 0.06 -0.03 -0.03 -0.04 0.88 0.83 3hs7B1 ILE 559 H -0.05 0.31 -0.24 -0.55 8.25 7.72 3hs7B1 ILE 559 HA 0.08 0.00 0.44 -0.75 4.18 3.95 3hs7B1 ILE 559 HB -0.20 0.15 0.14 -0.04 1.89 1.95 3hs7B1 ILE 559 HG12 0.03 -0.03 0.09 -0.04 1.49 1.55 3hs7B1 ILE 559 HG13 -0.10 0.04 0.10 -0.04 1.21 1.21 3hs7B1 ILE 559 HG23 0.37 -0.00 -0.24 -0.04 0.93 1.02 3hs7B1 ILE 559 HD13 -0.70 -0.01 0.02 -0.04 0.88 0.15 3hs7B1 ASN 560 H -0.14 0.40 -0.12 -0.55 8.53 8.12 3hs7B1 ASN 560 HA 0.09 0.08 0.27 -0.75 4.76 4.45 3hs7B1 ASN 560 HB2 -0.21 0.01 0.09 -0.04 2.88 2.73 3hs7B1 ASN 560 HB3 -0.08 -0.03 0.11 -0.04 2.79 2.74 3hs7B1 ASN 560 HD21 -1.74 -0.06 -0.05 -0.04 7.03 5.15 3hs7B1 ASN 560 HD22 -0.87 -0.04 -0.10 -0.04 7.74 6.68 3hs7B1 THR 561 H 0.01 0.29 -0.51 -0.55 8.28 7.52 3hs7B1 THR 561 HA 0.02 0.17 0.88 -0.75 4.39 4.70 3hs7B1 THR 561 HB 0.00 -0.10 0.13 -0.04 4.32 4.31 3hs7B1 THR 561 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 3hs7B1 ALA 562 H 0.06 0.36 -0.19 -0.55 8.40 8.08 3hs7B1 ALA 562 HA 0.04 -0.03 0.52 -0.75 4.34 4.12 3hs7B1 ALA 562 HB3 0.11 0.06 0.15 -0.04 1.41 1.68 3hs7B1 SER 563 H 0.02 0.23 0.24 -0.55 8.46 8.40 3hs7B1 SER 563 HA 0.02 0.17 0.50 -0.75 4.49 4.43 3hs7B1 SER 563 HB2 -0.03 -0.05 0.12 -0.04 3.95 3.96 3hs7B1 SER 563 HB3 0.00 0.30 -0.21 -0.04 3.93 3.98 3hs7B1 ILE 564 H -0.08 0.23 0.12 -0.55 8.25 7.98 3hs7B1 ILE 564 HA -0.07 0.11 0.46 -0.75 4.18 3.92 3hs7B1 ILE 564 HB -0.35 0.02 0.05 -0.04 1.89 1.57 3hs7B1 ILE 564 HG12 -0.89 0.01 -0.17 -0.04 1.49 0.39 3hs7B1 ILE 564 HG13 -0.23 0.02 -0.22 -0.04 1.21 0.74 3hs7B1 ILE 564 HG23 -0.52 0.02 -0.04 -0.04 0.93 0.35 3hs7B1 ILE 564 HD13 0.12 0.00 -0.02 -0.04 0.88 0.94 3hs7B1 GLN 565 H -0.10 0.10 -0.16 -0.55 8.47 7.77 3hs7B1 GLN 565 HA -0.06 0.13 0.42 -0.75 4.36 4.10 3hs7B1 GLN 565 HB2 -0.07 0.14 0.13 -0.04 2.15 2.31 3hs7B1 GLN 565 HB3 -0.05 -0.03 0.09 -0.04 2.02 1.99 3hs7B1 GLN 565 HG2 -0.01 0.03 0.02 -0.04 2.40 2.40 3hs7B1 GLN 565 HG3 0.01 -0.00 -0.22 -0.04 2.39 2.13 3hs7B1 GLN 565 HE21 0.06 0.48 0.05 -0.04 6.97 7.51 3hs7B1 GLN 565 HE22 0.03 -0.18 0.02 -0.04 7.69 7.52 3hs7B1 SER 566 H -0.04 0.09 -0.14 -0.55 8.46 7.83 3hs7B1 SER 566 HA -0.02 0.06 0.39 -0.75 4.49 4.17 3hs7B1 SER 566 HB2 -0.01 0.04 0.02 -0.04 3.95 3.96 3hs7B1 SER 566 HB3 -0.01 0.05 0.09 -0.04 3.93 4.02 3hs7B1 LEU 567 H -0.07 0.42 -0.25 -0.55 8.37 7.93 3hs7B1 LEU 567 HA -0.15 0.03 0.33 -0.75 4.35 3.81 3hs7B1 LEU 567 HB2 -0.17 0.02 0.07 -0.04 1.64 1.51 3hs7B1 LEU 567 HB3 -0.13 0.12 0.09 -0.04 1.64 1.68 3hs7B1 LEU 567 HG -0.40 0.01 -0.29 -0.04 1.64 0.93 3hs7B1 LEU 567 HD13 -0.89 -0.01 -0.06 -0.04 0.93 -0.08 3hs7B1 LEU 567 HD23 -0.47 -0.01 -0.08 -0.04 0.89 0.29 3hs7B1 ILE 568 H -0.08 0.38 -0.25 -0.55 8.25 7.74 3hs7B1 ILE 568 HA -0.11 0.00 0.50 -0.75 4.18 3.81 3hs7B1 ILE 568 HB -0.05 0.11 0.16 -0.04 1.89 2.07 3hs7B1 ILE 568 HG12 -0.03 -0.02 -0.05 -0.04 1.49 1.34 3hs7B1 ILE 568 HG13 -0.09 -0.05 -0.02 -0.04 1.21 1.01 3hs7B1 ILE 568 HG23 -0.04 0.00 -0.18 -0.04 0.93 0.67 3hs7B1 ILE 568 HD13 -0.04 0.01 -0.09 -0.04 0.88 0.72 3hs7B1 CYS 569 H -0.04 0.80 0.07 -0.55 8.50 8.78 3hs7B1 CYS 569 HA -0.03 -0.01 0.34 -0.75 4.58 4.13 3hs7B1 CYS 569 HB2 0.01 0.06 0.04 -0.04 2.97 3.04 3hs7B1 CYS 569 HB3 -0.01 -0.03 0.10 -0.04 2.97 2.98 3hs7B1 ASN 570 H -0.05 0.74 -0.16 -0.55 8.53 8.52 3hs7B1 ASN 570 HA -0.04 0.02 0.46 -0.75 4.76 4.45 3hs7B1 ASN 570 HB2 -0.06 0.14 0.04 -0.04 2.88 2.97 3hs7B1 ASN 570 HB3 -0.04 -0.06 -0.01 -0.04 2.79 2.64 3hs7B1 ASN 570 HD21 -0.01 -0.05 -0.06 -0.04 7.03 6.87 3hs7B1 ASN 570 HD22 -0.02 -0.00 -0.12 -0.04 7.74 7.55 3hs7B1 ASN 571 H -0.09 0.33 -0.37 -0.55 8.53 7.86 3hs7B1 ASN 571 HA -0.09 0.17 0.89 -0.75 4.76 4.98 3hs7B1 ASN 571 HB2 -0.14 0.14 0.09 -0.04 2.88 2.92 3hs7B1 ASN 571 HB3 -0.13 -0.08 0.15 -0.04 2.79 2.69 3hs7B1 ASN 571 HD21 -0.10 -0.12 -0.05 -0.04 7.03 6.72 3hs7B1 ASN 571 HD22 -0.18 0.29 0.06 -0.04 7.74 7.87 3hs7B1 VAL 572 H -0.08 0.48 0.02 -0.55 8.24 8.11 3hs7B1 VAL 572 HA -0.11 0.07 1.00 -0.75 4.13 4.34 3hs7B1 VAL 572 HB -0.08 0.11 0.08 -0.04 2.12 2.20 3hs7B1 VAL 572 HG13 -0.07 -0.00 -0.17 -0.04 0.97 0.69 3hs7B1 VAL 572 HG23 -0.12 -0.00 -0.11 -0.04 0.95 0.68 3hs7B1 LYS 573 H -0.08 0.09 0.12 -0.55 8.42 7.99 3hs7B1 LYS 573 HA -0.06 0.04 0.36 -0.75 4.32 3.91 3hs7B1 LYS 573 HB2 -0.06 0.05 0.14 -0.04 1.87 1.96 3hs7B1 LYS 573 HB3 -0.05 -0.07 0.13 -0.04 1.79 1.76 3hs7B1 LYS 573 HG2 -0.04 -0.00 -0.11 -0.04 1.46 1.27 3hs7B1 LYS 573 HG3 -0.04 -0.02 0.06 -0.04 1.46 1.42 3hs7B1 LYS 573 HD2 -0.03 0.00 0.01 -0.04 1.69 1.63 3hs7B1 LYS 573 HD3 -0.04 0.04 0.03 -0.04 1.68 1.66 3hs7B1 LYS 573 HE2 -0.02 0.05 0.01 -0.04 2.99 2.99 3hs7B1 LYS 573 HE3 -0.03 -0.05 0.01 -0.04 2.99 2.88 3hs7B1 GLY 574 H -0.05 0.13 0.17 -0.55 8.43 8.14 3hs7B1 GLY 574 HA2 -0.06 -0.02 0.33 -0.51 4.01 3.75 3hs7B1 GLY 574 HA3 -0.07 0.07 0.48 -0.51 4.01 3.98 3hs7B1 CYS 575 H -0.06 0.40 -0.18 -0.55 8.50 8.11 3hs7B1 CYS 575 HA -0.05 0.13 0.31 -0.75 4.58 4.22 3hs7B1 CYS 575 HB2 -0.03 0.15 0.12 -0.04 2.97 3.16 3hs7B1 CYS 575 HB3 -0.05 -0.04 -0.09 -0.04 2.97 2.75 3hs7B1 PRO 576 HA -0.26 0.06 0.51 -0.51 4.44 4.24 3hs7B1 PRO 576 HB2 -0.04 0.10 -0.09 -0.04 2.28 2.20 3hs7B1 PRO 576 HB3 -0.08 -0.01 0.05 -0.04 2.02 1.93 3hs7B1 PRO 576 HG2 -0.04 -0.01 -0.08 -0.04 2.03 1.85 3hs7B1 PRO 576 HG3 -0.05 -0.02 0.02 -0.04 2.03 1.95 3hs7B1 PRO 576 HD2 -0.06 0.12 -0.02 -0.04 3.68 3.68 3hs7B1 PRO 576 HD3 -0.07 0.21 -0.19 -0.04 3.65 3.56 3hs7B1 PHE 577 H -0.22 0.06 0.15 -0.55 8.34 7.78 3hs7B1 PHE 577 HA -0.04 0.09 0.67 -0.75 4.62 4.59 3hs7B1 PHE 577 HB2 -0.02 -0.03 0.10 -0.04 3.15 3.16 3hs7B1 PHE 577 HB3 -0.03 0.04 0.04 -0.04 3.06 3.07 3hs7B1 PHE 577 HD2 -0.02 0.02 -0.04 -0.04 7.28 7.20 3hs7B1 PHE 577 HE2 -0.02 -0.01 -0.00 -0.04 7.38 7.31 3hs7B1 PHE 577 HZ -0.01 -0.03 0.01 -0.04 7.32 7.24 3hs7B1 THR 578 H 0.08 0.20 0.21 -0.55 8.28 8.23 3hs7B1 THR 578 HA 0.03 0.19 0.62 -0.75 4.39 4.47 3hs7B1 THR 578 HB 0.02 0.08 -0.30 -0.04 4.32 4.08 3hs7B1 THR 578 HG23 -0.06 -0.03 -0.21 -0.04 1.22 0.88 3hs7B1 SER 579 H -0.05 0.43 0.25 -0.55 8.46 8.55 3hs7B1 SER 579 HA -0.31 -0.01 0.29 -0.75 4.49 3.70 3hs7B1 SER 579 HB2 -0.11 -0.12 0.22 -0.04 3.95 3.90 3hs7B1 SER 579 HB3 -0.10 0.14 0.13 -0.04 3.93 4.07 3hs7B1 PHE 580 H -0.17 0.19 0.13 -0.55 8.34 7.94 3hs7B1 PHE 580 HA 0.01 0.06 0.77 -0.75 4.62 4.71 3hs7B1 PHE 580 HB2 -0.35 0.11 0.07 -0.04 3.15 2.94 3hs7B1 PHE 580 HB3 -0.23 -0.02 0.15 -0.04 3.06 2.93 3hs7B1 PHE 580 HD2 0.12 0.06 -0.28 -0.04 7.28 7.14 3hs7B1 PHE 580 HE2 -0.05 0.02 -0.17 -0.04 7.38 7.14 3hs7B1 PHE 580 HZ -1.10 0.00 -0.09 -0.04 7.32 6.09 3hs7B1 ASN 581 H -0.08 0.04 -0.12 -0.55 8.53 7.82 3hs7B1 ASN 581 HA -0.06 0.34 0.86 -0.75 4.76 5.15 3hs7B1 ASN 581 HB2 0.04 0.14 0.05 -0.04 2.88 3.07 3hs7B1 ASN 581 HB3 0.02 -0.04 -0.15 -0.04 2.79 2.58 3hs7B1 ASN 581 HD21 0.00 -0.10 -0.20 -0.04 7.03 6.69 3hs7B1 ASN 581 HD22 0.02 0.15 -0.14 -0.04 7.74 7.73 3hs7B1 VAL 582 H 0.01 0.43 0.18 -0.55 8.24 8.32 3hs7B1 VAL 582 HA 0.03 0.24 0.72 -0.75 4.13 4.36 3hs7B1 VAL 582 HB 0.03 -0.05 0.03 -0.04 2.12 2.09 3hs7B1 VAL 582 HG13 0.05 0.03 -0.24 -0.04 0.97 0.77 3hs7B1 VAL 582 HG23 0.01 0.01 0.11 -0.04 0.95 1.04 3hs7B1 GLN 583 H 0.01 -0.00 -0.03 -0.55 8.47 7.90 3hs7B1 GLN 583 HA 0.02 0.40 0.35 -0.75 4.36 4.38 3hs7B1 GLN 583 HB2 0.03 0.03 0.05 -0.04 2.15 2.21 3hs7B1 GLN 583 HB3 0.03 -0.02 0.03 -0.04 2.02 2.02 3hs7B1 GLN 583 HG2 0.05 -0.02 -0.06 -0.04 2.40 2.33 3hs7B1 GLN 583 HG3 0.05 0.07 -0.36 -0.04 2.39 2.10 3hs7B1 GLN 583 HE21 0.02 -0.06 0.01 -0.04 6.97 6.91 3hs7B1 GLN 583 HE22 0.04 0.08 0.01 -0.04 7.69 7.78