============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. HIS 1 0.900 22.621 47.399 66.925 -99.200 -91.000 HIS 2 0.900 29.408 45.391 70.130 -99.200 -91.000 HIS 3 0.900 26.641 43.228 63.401 -99.200 -91.000 HIS 4 0.900 28.758 35.843 66.795 -99.200 -91.000 HIS 14 0.900 25.840 22.284 69.937 -99.200 -91.000 TYR 30 0.840 6.361 26.389 62.684 -99.200 -91.000 PHE 37 1.000 -4.266 15.593 63.500 -99.200 -91.000 PHE 46 1.000 -11.887 11.818 54.855 -99.200 -91.000 PHE 59 1.000 -6.712 6.624 46.290 -99.200 -91.000 TYR 75 0.840 -1.256 4.918 64.547 -99.200 -91.000 TYR 91 0.840 -9.877 18.268 52.567 -99.200 -91.000 TYR 106 0.840 3.823 23.804 51.792 -99.200 -91.000 PHE 126 1.000 6.683 14.534 46.977 -99.200 -91.000 TRP 151 1.040 2.749 8.159 66.487 -99.200 -91.000 TRP6 151 1.020 5.076 8.407 66.094 -99.200 -91.000 HIS 155 0.900 -4.777 25.350 66.247 -99.200 -91.000 TYR 164 0.840 17.215 31.325 43.407 -99.200 -91.000 TYR 166 0.840 17.832 22.333 38.080 -99.200 -91.000 HIS 176 0.900 34.745 5.039 43.154 -99.200 -91.000 PHE 177 1.000 26.238 0.881 38.654 -99.200 -91.000 PHE 178 1.000 27.967 5.245 44.577 -99.200 -91.000 TYR 193 0.840 16.013 16.802 54.472 -99.200 -91.000 PHE 198 1.000 19.591 11.604 40.938 -99.200 -91.000 HIS 199 0.900 23.846 16.904 36.046 -99.200 -91.000 HIS 201 0.900 29.339 13.443 34.839 -99.200 -91.000 TRP 208 1.040 27.980 4.750 27.976 -99.200 -91.000 TRP6 208 1.020 28.303 6.706 26.690 -99.200 -91.000 TRP 215 1.040 26.823 3.713 18.504 -99.200 -91.000 TRP6 215 1.020 28.929 4.057 17.476 -99.200 -91.000 TYR 234 0.840 24.606 -2.720 31.961 -99.200 -91.000 TYR 235 0.840 22.354 3.297 36.757 -99.200 -91.000 PHE 240 1.000 17.454 7.474 32.415 -99.200 -91.000 TYR 246 0.840 11.984 5.709 44.374 -99.200 -91.000 TYR 251 0.840 4.164 15.404 41.871 -99.200 -91.000 HIS 263 0.900 35.657 15.229 32.499 -99.200 -91.000 TYR 271 0.840 31.457 0.796 19.830 -99.200 -91.000 TYR 291 0.840 42.298 11.651 30.392 -99.200 -91.000 TYR 302 0.840 29.897 16.252 15.045 -99.200 -91.000 PHE 304 1.000 29.357 7.581 20.812 -99.200 -91.000 TYR 320 0.840 15.659 22.063 30.341 -99.200 -91.000 HIS 322 0.900 24.776 18.904 32.050 -99.200 -91.000 TYR 336 0.840 33.454 23.726 24.409 -99.200 -91.000 TYR 338 0.840 31.986 21.734 13.249 -99.200 -91.000 PHE 339 1.000 31.162 17.541 20.389 -99.200 -91.000 PHE 340 1.000 27.716 21.866 24.445 -99.200 -91.000 TYR 350 0.840 16.989 12.294 17.386 -99.200 -91.000 TRP 357 1.040 29.233 20.033 33.221 -99.200 -91.000 TRP6 357 1.020 28.510 20.202 35.470 -99.200 -91.000 TRP 375 1.040 32.006 24.139 35.546 -99.200 -91.000 TRP6 375 1.020 34.217 23.392 35.965 -99.200 -91.000 TYR 400 0.840 31.817 21.520 41.857 -99.200 -91.000 TYR 405 0.840 31.043 17.468 55.850 -99.200 -91.000 TYR 406 0.840 35.532 20.997 59.384 -99.200 -91.000 TRP 415 1.040 38.283 20.580 42.258 -99.200 -91.000 TRP6 415 1.020 37.537 22.432 40.988 -99.200 -91.000 PHE 418 1.000 40.420 22.111 53.597 -99.200 -91.000 TYR 425 0.840 21.879 28.653 55.868 -99.200 -91.000 TRP 427 1.040 25.907 28.765 48.995 -99.200 -91.000 TRP6 427 1.020 24.975 28.508 46.822 -99.200 -91.000 TYR 439 0.840 15.437 26.069 35.407 -99.200 -91.000 TRP 446 1.040 31.627 16.848 40.599 -99.200 -91.000 TRP6 446 1.020 31.131 16.345 38.332 -99.200 -91.000 PHE 450 1.000 32.605 11.518 47.951 -99.200 -91.000 HIS 455 0.900 33.264 5.893 51.338 -99.200 -91.000 TYR 458 0.840 32.010 11.810 56.692 -99.200 -91.000 TYR 461 0.840 21.337 13.788 53.306 -99.200 -91.000 TRP 472 1.040 11.250 26.261 50.248 -99.200 -91.000 TRP6 472 1.020 9.827 25.025 48.794 -99.200 -91.000 TRP 480 1.040 26.152 29.083 60.994 -99.200 -91.000 TRP6 480 1.020 25.920 26.912 60.080 -99.200 -91.000 PHE 483 1.000 20.744 24.926 57.764 -99.200 -91.000 HIS 490 0.900 15.772 17.684 60.068 -99.200 -91.000 PHE 501 1.000 24.020 12.417 61.613 -99.200 -91.000 PHE 502 1.000 32.052 15.578 59.798 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gh5A1 HIS -16 HA -0.15 -0.07 0.20 -0.75 4.63 3.85 3gh5A1 HIS -16 HB2 -0.01 -0.02 -0.04 -0.04 3.26 3.16 3gh5A1 HIS -16 HB3 -0.15 0.03 -0.02 -0.04 3.20 3.02 3gh5A1 HIS -16 HD2 0.05 -0.01 0.01 -0.04 6.97 6.97 3gh5A1 HIS -16 HE1 0.02 -0.00 0.02 -0.04 7.75 7.75 3gh5A1 HIS -15 H 0.00 0.12 0.12 -0.55 8.41 8.11 3gh5A1 HIS -15 HA -0.16 0.16 0.87 -0.75 4.63 4.74 3gh5A1 HIS -15 HB2 -0.03 -0.02 0.09 -0.04 3.26 3.26 3gh5A1 HIS -15 HB3 -0.01 0.02 0.02 -0.04 3.20 3.19 3gh5A1 HIS -15 HD2 -0.01 -0.02 0.00 -0.04 6.97 6.90 3gh5A1 HIS -15 HE1 -0.01 -0.02 -0.03 -0.04 7.75 7.65 3gh5A1 HIS -14 H 0.07 0.24 0.23 -0.55 8.41 8.41 3gh5A1 HIS -14 HA 0.15 0.16 0.86 -0.75 4.63 5.05 3gh5A1 HIS -14 HB2 0.07 -0.02 -0.04 -0.04 3.26 3.23 3gh5A1 HIS -14 HB3 0.05 0.00 0.06 -0.04 3.20 3.26 3gh5A1 HIS -14 HD2 0.04 0.00 -0.08 -0.04 6.97 6.89 3gh5A1 HIS -14 HE1 0.03 -0.01 -0.12 -0.04 7.75 7.60 3gh5A1 HIS -13 H 0.02 0.29 0.21 -0.55 8.41 8.39 3gh5A1 HIS -13 HA 0.11 0.09 0.58 -0.75 4.63 4.66 3gh5A1 HIS -13 HB2 0.09 0.06 0.13 -0.04 3.26 3.50 3gh5A1 HIS -13 HB3 0.09 0.05 -0.19 -0.04 3.20 3.12 3gh5A1 HIS -13 HD2 0.11 0.24 -0.35 -0.04 6.97 6.93 3gh5A1 HIS -13 HE1 0.08 0.01 -0.04 -0.04 7.75 7.76 3gh5A1 SER -12 H 0.15 0.14 0.15 -0.55 8.46 8.36 3gh5A1 SER -12 HA 0.02 0.15 0.87 -0.75 4.49 4.77 3gh5A1 SER -12 HB2 0.03 0.02 0.11 -0.04 3.95 4.07 3gh5A1 SER -12 HB3 0.04 0.02 0.07 -0.04 3.93 4.01 3gh5A1 SER -11 H 0.08 0.09 0.14 -0.55 8.46 8.23 3gh5A1 SER -11 HA 0.28 0.09 0.50 -0.75 4.49 4.60 3gh5A1 SER -11 HB2 0.10 -0.10 0.14 -0.04 3.95 4.06 3gh5A1 SER -11 HB3 0.31 0.16 -0.03 -0.04 3.93 4.32 3gh5A1 GLY -10 H 0.17 0.15 0.16 -0.55 8.43 8.36 3gh5A1 GLY -10 HA2 0.10 0.12 0.79 -0.51 4.01 4.51 3gh5A1 GLY -10 HA3 0.09 0.04 0.36 -0.51 4.01 4.00 3gh5A1 LEU -9 H 0.07 0.05 0.09 -0.55 8.37 8.03 3gh5A1 LEU -9 HA 0.09 0.06 0.48 -0.75 4.35 4.23 3gh5A1 LEU -9 HB2 0.01 -0.03 0.02 -0.04 1.64 1.59 3gh5A1 LEU -9 HB3 -0.01 0.11 -0.02 -0.04 1.64 1.68 3gh5A1 LEU -9 HG 0.02 -0.03 0.02 -0.04 1.64 1.61 3gh5A1 LEU -9 HD13 -0.14 -0.00 -0.03 -0.04 0.93 0.71 3gh5A1 LEU -9 HD23 0.07 -0.02 -0.22 -0.04 0.89 0.67 3gh5A1 VAL -8 H 0.04 0.62 0.25 -0.55 8.24 8.59 3gh5A1 VAL -8 HA 0.04 0.10 0.50 -0.75 4.13 4.02 3gh5A1 VAL -8 HB -0.11 0.01 -0.06 -0.04 2.12 1.93 3gh5A1 VAL -8 HG13 -0.33 0.05 -0.12 -0.04 0.97 0.53 3gh5A1 VAL -8 HG23 0.11 -0.04 -0.10 -0.04 0.95 0.88 3gh5A1 PRO -7 HA -0.02 -0.04 0.50 -0.51 4.44 4.38 3gh5A1 PRO -7 HB2 -0.01 0.04 0.04 -0.04 2.28 2.31 3gh5A1 PRO -7 HB3 -0.00 -0.01 0.08 -0.04 2.02 2.04 3gh5A1 PRO -7 HG2 0.01 0.02 0.08 -0.04 2.03 2.10 3gh5A1 PRO -7 HG3 0.01 0.02 0.08 -0.04 2.03 2.11 3gh5A1 PRO -7 HD2 0.02 0.08 0.20 -0.04 3.68 3.94 3gh5A1 PRO -7 HD3 0.04 0.24 0.26 -0.04 3.65 4.14 3gh5A1 ARG -6 H -0.03 0.07 0.18 -0.55 8.46 8.13 3gh5A1 ARG -6 HA -0.03 -0.05 0.33 -0.75 4.34 3.83 3gh5A1 ARG -6 HB2 -0.05 0.27 0.07 -0.04 1.90 2.15 3gh5A1 ARG -6 HB3 -0.03 -0.03 0.15 -0.04 1.80 1.85 3gh5A1 ARG -6 HG2 -0.02 -0.12 -0.39 -0.04 1.67 1.10 3gh5A1 ARG -6 HG3 -0.02 0.03 -0.10 -0.04 1.67 1.53 3gh5A1 ARG -6 HD2 -0.02 -0.04 0.04 -0.04 3.22 3.16 3gh5A1 ARG -6 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 3gh5A1 GLY -5 H -0.07 0.36 -0.46 -0.55 8.43 7.71 3gh5A1 GLY -5 HA2 -0.07 -0.08 0.27 -0.51 4.01 3.62 3gh5A1 GLY -5 HA3 -0.07 0.15 0.51 -0.51 4.01 4.10 3gh5A1 SER -4 H -0.09 0.06 0.10 -0.55 8.46 7.98 3gh5A1 SER -4 HA -0.09 0.13 0.35 -0.75 4.49 4.13 3gh5A1 SER -4 HB2 -0.14 -0.01 -0.43 -0.04 3.95 3.33 3gh5A1 SER -4 HB3 -0.09 -0.01 -0.08 -0.04 3.93 3.70 3gh5A1 HIS -3 H -0.05 0.58 0.16 -0.55 8.41 8.54 3gh5A1 HIS -3 HA -0.02 0.12 0.58 -0.75 4.63 4.56 3gh5A1 HIS -3 HB2 -0.04 -0.04 0.09 -0.04 3.26 3.23 3gh5A1 HIS -3 HB3 -0.04 0.01 0.07 -0.04 3.20 3.19 3gh5A1 HIS -3 HD2 -0.02 0.01 -0.02 -0.04 6.97 6.90 3gh5A1 HIS -3 HE1 0.00 -0.03 -0.02 -0.04 7.75 7.67 3gh5A1 MET -2 H 0.03 0.17 -0.26 -0.55 8.47 7.86 3gh5A1 MET -2 HA 0.04 0.16 0.52 -0.75 4.52 4.49 3gh5A1 MET -2 HB2 0.04 -0.11 -0.02 -0.04 2.15 2.02 3gh5A1 MET -2 HB3 0.14 0.07 0.11 -0.04 2.03 2.31 3gh5A1 MET -2 HG2 -0.07 0.12 -0.03 -0.04 2.63 2.61 3gh5A1 MET -2 HG3 -0.00 -0.05 0.01 -0.04 2.56 2.48 3gh5A1 MET -2 HE3 -0.32 0.04 -0.02 -0.04 2.10 1.75 3gh5A1 ALA -1 H 0.02 0.22 -0.88 -0.55 8.40 7.20 3gh5A1 ALA -1 HA 0.03 0.13 0.75 -0.75 4.34 4.50 3gh5A1 ALA -1 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 3gh5A1 SER 0 H 0.02 0.06 -0.12 -0.55 8.46 7.88 3gh5A1 SER 0 HA 0.01 0.04 0.21 -0.75 4.49 3.99 3gh5A1 SER 0 HB2 -0.02 0.08 0.12 -0.04 3.95 4.09 3gh5A1 SER 0 HB3 0.02 -0.21 -0.03 -0.04 3.93 3.67 3gh5A1 MET 1 H 0.05 0.64 0.11 -0.55 8.47 8.73 3gh5A1 MET 1 HA 0.03 0.12 0.57 -0.75 4.52 4.48 3gh5A1 MET 1 HB2 -0.01 0.00 0.07 -0.04 2.15 2.17 3gh5A1 MET 1 HB3 0.03 -0.04 0.10 -0.04 2.03 2.08 3gh5A1 MET 1 HG2 -0.01 0.06 0.04 -0.04 2.63 2.67 3gh5A1 MET 1 HG3 0.02 0.05 0.12 -0.04 2.56 2.71 3gh5A1 MET 1 HE3 -0.04 0.01 0.02 -0.04 2.10 2.06 3gh5A1 SER 14 HA 0.04 -0.07 0.18 -0.75 4.49 3.88 3gh5A1 SER 14 HB2 0.01 -0.04 0.03 -0.04 3.95 3.91 3gh5A1 SER 14 HB3 0.00 -0.01 -0.00 -0.04 3.93 3.88 3gh5A1 GLN 15 H 0.02 0.16 0.02 -0.55 8.47 8.13 3gh5A1 GLN 15 HA 0.04 0.17 0.77 -0.75 4.36 4.59 3gh5A1 GLN 15 HB2 0.00 -0.07 -0.06 -0.04 2.15 1.98 3gh5A1 GLN 15 HB3 -0.01 -0.06 0.25 -0.04 2.02 2.17 3gh5A1 GLN 15 HG2 -0.01 0.11 -0.08 -0.04 2.40 2.38 3gh5A1 GLN 15 HG3 0.01 0.01 0.03 -0.04 2.39 2.40 3gh5A1 GLN 15 HE21 -0.04 -0.07 0.04 -0.04 6.97 6.85 3gh5A1 GLN 15 HE22 -0.03 0.11 0.07 -0.04 7.69 7.79 3gh5A1 PRO 16 HA -0.00 0.35 0.61 -0.51 4.44 4.88 3gh5A1 PRO 16 HB2 -0.03 -0.13 -0.03 -0.04 2.28 2.06 3gh5A1 PRO 16 HB3 -0.06 0.03 0.08 -0.04 2.02 2.04 3gh5A1 PRO 16 HG2 0.21 -0.07 0.03 -0.04 2.03 2.16 3gh5A1 PRO 16 HG3 0.07 0.28 0.12 -0.04 2.03 2.47 3gh5A1 PRO 16 HD2 0.12 0.03 0.04 -0.04 3.68 3.83 3gh5A1 PRO 16 HD3 0.08 0.11 -0.35 -0.04 3.65 3.45 3gh5A1 SER 17 H -0.03 0.69 0.15 -0.55 8.46 8.73 3gh5A1 SER 17 HA -0.01 0.07 0.75 -0.75 4.49 4.55 3gh5A1 SER 17 HB2 0.00 0.10 -0.19 -0.04 3.95 3.82 3gh5A1 SER 17 HB3 0.08 -0.01 0.19 -0.04 3.93 4.15 3gh5A1 ILE 18 H -0.11 0.12 -0.09 -0.55 8.25 7.62 3gh5A1 ILE 18 HA -0.08 0.16 0.50 -0.75 4.18 4.00 3gh5A1 ILE 18 HB -0.19 -0.07 0.03 -0.04 1.89 1.63 3gh5A1 ILE 18 HG12 -0.20 0.09 -0.15 -0.04 1.49 1.19 3gh5A1 ILE 18 HG13 -0.28 -0.06 -0.15 -0.04 1.21 0.67 3gh5A1 ILE 18 HG23 -0.13 0.07 -0.16 -0.04 0.93 0.67 3gh5A1 ILE 18 HD13 -0.60 -0.01 -0.08 -0.04 0.88 0.15 3gh5A1 LEU 19 H -0.06 0.37 0.11 -0.55 8.37 8.25 3gh5A1 LEU 19 HA 0.01 -0.10 0.50 -0.75 4.35 4.01 3gh5A1 LEU 19 HB2 -0.21 0.03 -0.38 -0.04 1.64 1.04 3gh5A1 LEU 19 HB3 -0.05 0.06 0.04 -0.04 1.64 1.64 3gh5A1 LEU 19 HG 0.11 -0.07 -0.03 -0.04 1.64 1.61 3gh5A1 LEU 19 HD13 -0.42 -0.02 -0.12 -0.04 0.93 0.33 3gh5A1 LEU 19 HD23 0.12 0.02 -0.12 -0.04 0.89 0.86 3gh5A1 PRO 20 HA 0.11 -0.03 0.32 -0.51 4.44 4.33 3gh5A1 PRO 20 HB2 -0.07 0.07 -0.17 -0.04 2.28 2.07 3gh5A1 PRO 20 HB3 0.16 -0.09 0.08 -0.04 2.02 2.12 3gh5A1 PRO 20 HG2 -0.21 0.04 -0.03 -0.04 2.03 1.79 3gh5A1 PRO 20 HG3 0.06 0.00 -0.18 -0.04 2.03 1.87 3gh5A1 PRO 20 HD2 -0.43 0.04 0.04 -0.04 3.68 3.29 3gh5A1 PRO 20 HD3 -0.03 0.22 0.32 -0.04 3.65 4.11 3gh5A1 LYS 21 H 0.16 0.02 0.10 -0.55 8.42 8.14 3gh5A1 LYS 21 HA 0.05 0.18 0.41 -0.75 4.32 4.19 3gh5A1 LYS 21 HB2 0.14 -0.07 0.14 -0.04 1.87 2.04 3gh5A1 LYS 21 HB3 0.16 -0.06 0.10 -0.04 1.79 1.95 3gh5A1 LYS 21 HG2 0.11 0.21 -0.13 -0.04 1.46 1.61 3gh5A1 LYS 21 HG3 0.08 -0.01 0.04 -0.04 1.46 1.54 3gh5A1 LYS 21 HD2 0.12 -0.12 0.05 -0.04 1.69 1.70 3gh5A1 LYS 21 HD3 0.11 0.10 0.04 -0.04 1.68 1.89 3gh5A1 LYS 21 HE2 0.08 0.03 0.02 -0.04 2.99 3.07 3gh5A1 LYS 21 HE3 0.08 -0.04 0.02 -0.04 2.99 3.00 3gh5A1 PRO 22 HA 0.30 0.09 0.53 -0.51 4.44 4.86 3gh5A1 PRO 22 HB2 0.08 0.07 0.06 -0.04 2.28 2.46 3gh5A1 PRO 22 HB3 0.08 0.05 0.03 -0.04 2.02 2.14 3gh5A1 PRO 22 HG2 0.08 -0.04 -0.17 -0.04 2.03 1.86 3gh5A1 PRO 22 HG3 -0.06 0.03 -0.01 -0.04 2.03 1.95 3gh5A1 PRO 22 HD2 0.03 0.03 0.14 -0.04 3.68 3.83 3gh5A1 PRO 22 HD3 -0.04 0.23 0.12 -0.04 3.65 3.92 3gh5A1 VAL 23 H 0.14 0.07 0.32 -0.55 8.24 8.23 3gh5A1 VAL 23 HA 0.06 0.02 0.42 -0.75 4.13 3.87 3gh5A1 VAL 23 HB -0.01 0.09 0.03 -0.04 2.12 2.19 3gh5A1 VAL 23 HG13 -0.02 -0.03 -0.09 -0.04 0.97 0.80 3gh5A1 VAL 23 HG23 -0.02 -0.03 0.14 -0.04 0.95 1.00 3gh5A1 SER 24 H 0.05 0.50 0.11 -0.55 8.46 8.58 3gh5A1 SER 24 HA 0.07 0.17 0.61 -0.75 4.49 4.58 3gh5A1 SER 24 HB2 0.04 -0.01 0.05 -0.04 3.95 3.98 3gh5A1 SER 24 HB3 0.02 0.06 -0.12 -0.04 3.93 3.85 3gh5A1 TYR 25 H 0.12 0.24 0.10 -0.55 8.29 8.20 3gh5A1 TYR 25 HA 0.02 0.24 0.83 -0.75 4.56 4.90 3gh5A1 TYR 25 HB2 0.03 0.08 -0.08 -0.04 3.06 3.05 3gh5A1 TYR 25 HB3 0.02 -0.03 0.06 -0.04 2.98 2.99 3gh5A1 TYR 25 HD2 0.02 -0.01 -0.04 -0.04 7.15 7.08 3gh5A1 TYR 25 HE2 0.02 0.02 -0.09 -0.04 6.85 6.76 3gh5A1 THR 26 H -0.04 0.61 0.37 -0.55 8.28 8.67 3gh5A1 THR 26 HA -0.26 0.19 0.93 -0.75 4.39 4.51 3gh5A1 THR 26 HB -0.08 0.02 0.08 -0.04 4.32 4.30 3gh5A1 THR 26 HG23 -0.03 -0.01 -0.10 -0.04 1.22 1.03 3gh5A1 VAL 27 H -0.19 0.19 0.20 -0.55 8.24 7.89 3gh5A1 VAL 27 HA -0.07 0.27 1.12 -0.75 4.13 4.70 3gh5A1 VAL 27 HB -0.14 -0.10 0.14 -0.04 2.12 1.98 3gh5A1 VAL 27 HG13 -0.00 0.06 -0.03 -0.04 0.97 0.95 3gh5A1 VAL 27 HG23 -0.33 0.01 -0.14 -0.04 0.95 0.44 3gh5A1 GLY 28 H 0.06 0.65 0.10 -0.55 8.43 8.70 3gh5A1 GLY 28 HA2 -0.05 0.10 0.83 -0.51 4.01 4.37 3gh5A1 GLY 28 HA3 -0.08 -0.05 0.28 -0.51 4.01 3.65 3gh5A1 SER 29 H -0.13 0.03 0.16 -0.55 8.46 7.97 3gh5A1 SER 29 HA -0.02 0.15 0.57 -0.75 4.49 4.43 3gh5A1 SER 29 HB2 -0.04 -0.02 0.11 -0.04 3.95 3.96 3gh5A1 SER 29 HB3 -0.05 0.00 0.11 -0.04 3.93 3.96 3gh5A1 GLY 30 H 0.01 0.09 0.20 -0.55 8.43 8.19 3gh5A1 GLY 30 HA2 0.05 -0.00 0.37 -0.51 4.01 3.91 3gh5A1 GLY 30 HA3 0.08 0.08 0.63 -0.51 4.01 4.29 3gh5A1 GLN 31 H 0.10 0.21 0.21 -0.55 8.47 8.44 3gh5A1 GLN 31 HA 0.14 0.12 0.71 -0.75 4.36 4.58 3gh5A1 GLN 31 HB2 0.10 0.17 -0.05 -0.04 2.15 2.33 3gh5A1 GLN 31 HB3 0.07 0.03 -0.29 -0.04 2.02 1.79 3gh5A1 GLN 31 HG2 0.04 -0.16 -0.08 -0.04 2.40 2.16 3gh5A1 GLN 31 HG3 0.04 0.02 -0.36 -0.04 2.39 2.05 3gh5A1 GLN 31 HE21 0.00 -0.00 -0.09 -0.04 6.97 6.84 3gh5A1 GLN 31 HE22 0.00 -0.06 -0.12 -0.04 7.69 7.48 3gh5A1 PHE 32 H 0.23 0.80 0.22 -0.55 8.34 9.04 3gh5A1 PHE 32 HA 0.03 0.21 0.87 -0.75 4.62 4.97 3gh5A1 PHE 32 HB2 -0.01 0.27 -0.05 -0.04 3.15 3.32 3gh5A1 PHE 32 HB3 0.02 0.01 0.03 -0.04 3.06 3.08 3gh5A1 PHE 32 HD2 0.02 -0.04 -0.45 -0.04 7.28 6.78 3gh5A1 PHE 32 HE2 0.03 -0.02 -0.33 -0.04 7.38 7.02 3gh5A1 PHE 32 HZ 0.04 0.15 -0.32 -0.04 7.32 7.15 3gh5A1 VAL 33 H -0.61 0.23 0.14 -0.55 8.24 7.45 3gh5A1 VAL 33 HA -0.05 0.30 0.96 -0.75 4.13 4.58 3gh5A1 VAL 33 HB -0.19 -0.06 0.09 -0.04 2.12 1.92 3gh5A1 VAL 33 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 3gh5A1 VAL 33 HG23 -0.05 -0.00 -0.21 -0.04 0.95 0.65 3gh5A1 LEU 34 H 0.13 0.84 0.24 -0.55 8.37 9.04 3gh5A1 LEU 34 HA 0.02 0.08 0.79 -0.75 4.35 4.49 3gh5A1 LEU 34 HB2 0.39 0.01 0.04 -0.04 1.64 2.04 3gh5A1 LEU 34 HB3 0.32 0.02 0.20 -0.04 1.64 2.14 3gh5A1 LEU 34 HG 0.27 0.01 -0.19 -0.04 1.64 1.69 3gh5A1 LEU 34 HD13 0.24 -0.01 -0.02 -0.04 0.93 1.10 3gh5A1 LEU 34 HD23 -0.02 -0.00 -0.06 -0.04 0.89 0.76 3gh5A1 THR 35 H -0.02 0.20 0.22 -0.55 8.28 8.13 3gh5A1 THR 35 HA 0.04 0.27 0.94 -0.75 4.39 4.88 3gh5A1 THR 35 HB -0.10 -0.07 0.14 -0.04 4.32 4.25 3gh5A1 THR 35 HG23 -0.07 0.07 -0.15 -0.04 1.22 1.03 3gh5A1 LYS 36 H -0.47 0.16 0.15 -0.55 8.42 7.71 3gh5A1 LYS 36 HA -1.55 0.11 0.27 -0.75 4.32 2.40 3gh5A1 LYS 36 HB2 -0.31 0.02 0.10 -0.04 1.87 1.65 3gh5A1 LYS 36 HB3 -0.56 0.05 0.12 -0.04 1.79 1.36 3gh5A1 LYS 36 HG2 -0.19 -0.07 0.06 -0.04 1.46 1.22 3gh5A1 LYS 36 HG3 -0.16 0.04 -0.24 -0.04 1.46 1.06 3gh5A1 LYS 36 HD2 -0.06 0.02 -0.03 -0.04 1.69 1.58 3gh5A1 LYS 36 HD3 -0.05 0.03 0.01 -0.04 1.68 1.64 3gh5A1 LYS 36 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.86 3gh5A1 LYS 36 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.91 3gh5A1 ASN 37 H -0.19 -0.04 -0.48 -0.55 8.53 7.28 3gh5A1 ASN 37 HA -0.07 0.19 0.67 -0.75 4.76 4.79 3gh5A1 ASN 37 HB2 -0.06 -0.02 -0.01 -0.04 2.88 2.76 3gh5A1 ASN 37 HB3 -0.03 0.01 0.07 -0.04 2.79 2.81 3gh5A1 ASN 37 HD21 -0.05 -0.01 -0.03 -0.04 7.03 6.91 3gh5A1 ASN 37 HD22 -0.05 0.01 -0.02 -0.04 7.74 7.64 3gh5A1 ALA 38 H -0.08 0.39 -0.20 -0.55 8.40 7.97 3gh5A1 ALA 38 HA 0.07 0.01 0.34 -0.75 4.34 4.01 3gh5A1 ALA 38 HB3 0.10 -0.02 0.14 -0.04 1.41 1.60 3gh5A1 SER 39 H 0.16 0.12 0.21 -0.55 8.46 8.41 3gh5A1 SER 39 HA 0.02 0.18 0.86 -0.75 4.49 4.80 3gh5A1 SER 39 HB2 0.19 -0.10 0.03 -0.04 3.95 4.02 3gh5A1 SER 39 HB3 -0.17 0.05 -0.00 -0.04 3.93 3.77 3gh5A1 ILE 40 H -0.02 0.69 0.32 -0.55 8.25 8.68 3gh5A1 ILE 40 HA 0.14 0.28 1.05 -0.75 4.18 4.90 3gh5A1 ILE 40 HB -0.05 -0.05 0.10 -0.04 1.89 1.85 3gh5A1 ILE 40 HG12 0.01 0.01 -0.04 -0.04 1.49 1.43 3gh5A1 ILE 40 HG13 0.02 -0.05 -0.23 -0.04 1.21 0.90 3gh5A1 ILE 40 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.74 3gh5A1 ILE 40 HD13 -0.06 0.01 -0.12 -0.04 0.88 0.68 3gh5A1 PHE 41 H 0.43 0.77 0.42 -0.55 8.34 9.41 3gh5A1 PHE 41 HA 0.11 0.18 1.04 -0.75 4.62 5.20 3gh5A1 PHE 41 HB2 0.20 0.00 0.17 -0.04 3.15 3.48 3gh5A1 PHE 41 HB3 0.19 0.19 0.04 -0.04 3.06 3.44 3gh5A1 PHE 41 HD2 0.03 0.06 -0.20 -0.04 7.28 7.14 3gh5A1 PHE 41 HE2 0.01 0.01 -0.13 -0.04 7.38 7.23 3gh5A1 PHE 41 HZ 0.00 0.03 -0.06 -0.04 7.32 7.25 3gh5A1 VAL 42 H 0.21 0.51 0.50 -0.55 8.24 8.92 3gh5A1 VAL 42 HA 0.10 0.38 1.13 -0.75 4.13 4.99 3gh5A1 VAL 42 HB 0.08 -0.08 -0.05 -0.04 2.12 2.03 3gh5A1 VAL 42 HG13 0.04 0.03 -0.30 -0.04 0.97 0.71 3gh5A1 VAL 42 HG23 0.21 -0.01 -0.09 -0.04 0.95 1.02 3gh5A1 ALA 43 H 0.01 0.57 0.29 -0.55 8.40 8.72 3gh5A1 ALA 43 HA 0.11 0.00 0.67 -0.75 4.34 4.37 3gh5A1 ALA 43 HB3 0.21 0.04 -0.13 -0.04 1.41 1.50 3gh5A1 GLY 44 H 0.05 0.11 0.08 -0.55 8.43 8.12 3gh5A1 GLY 44 HA2 0.01 0.11 0.84 -0.51 4.01 4.46 3gh5A1 GLY 44 HA3 0.03 -0.05 0.21 -0.51 4.01 3.68 3gh5A1 ASN 45 H 0.02 0.15 0.12 -0.55 8.53 8.27 3gh5A1 ASN 45 HA 0.02 0.19 0.49 -0.75 4.76 4.71 3gh5A1 ASN 45 HB2 0.01 -0.02 0.11 -0.04 2.88 2.95 3gh5A1 ASN 45 HB3 0.01 0.04 0.12 -0.04 2.79 2.92 3gh5A1 ASN 45 HD21 0.01 0.34 0.02 -0.04 7.03 7.35 3gh5A1 ASN 45 HD22 0.01 -0.02 0.05 -0.04 7.74 7.74 3gh5A1 ASN 46 H 0.02 0.06 -0.08 -0.55 8.53 7.99 3gh5A1 ASN 46 HA 0.02 0.24 0.44 -0.75 4.76 4.70 3gh5A1 ASN 46 HB2 0.01 -0.08 0.17 -0.04 2.88 2.95 3gh5A1 ASN 46 HB3 0.01 0.25 0.08 -0.04 2.79 3.09 3gh5A1 ASN 46 HD21 0.01 0.06 -0.03 -0.04 7.03 7.03 3gh5A1 ASN 46 HD22 0.01 0.15 -0.12 -0.04 7.74 7.74 3gh5A1 VAL 47 H 0.01 0.25 0.15 -0.55 8.24 8.10 3gh5A1 VAL 47 HA 0.01 0.11 0.32 -0.75 4.13 3.81 3gh5A1 VAL 47 HB -0.01 0.07 0.06 -0.04 2.12 2.21 3gh5A1 VAL 47 HG13 0.00 0.03 0.05 -0.04 0.97 1.01 3gh5A1 VAL 47 HG23 -0.00 0.02 0.07 -0.04 0.95 1.00 3gh5A1 GLY 48 H 0.01 0.10 -0.13 -0.55 8.43 7.86 3gh5A1 GLY 48 HA2 0.01 0.14 0.39 -0.51 4.01 4.03 3gh5A1 GLY 48 HA3 0.01 0.10 0.28 -0.51 4.01 3.89 3gh5A1 GLU 49 H 0.02 0.04 -0.24 -0.55 8.60 7.88 3gh5A1 GLU 49 HA 0.04 0.15 0.49 -0.75 4.29 4.21 3gh5A1 GLU 49 HB2 0.02 0.05 0.12 -0.04 2.09 2.25 3gh5A1 GLU 49 HB3 0.02 -0.17 0.16 -0.04 1.99 1.96 3gh5A1 GLU 49 HG2 0.02 -0.01 -0.04 -0.04 2.34 2.27 3gh5A1 GLU 49 HG3 0.03 0.08 0.11 -0.04 2.34 2.52 3gh5A1 THR 50 H 0.03 0.54 -0.09 -0.55 8.28 8.21 3gh5A1 THR 50 HA 0.06 -0.01 0.39 -0.75 4.39 4.07 3gh5A1 THR 50 HB 0.02 0.13 0.11 -0.04 4.32 4.55 3gh5A1 THR 50 HG23 0.06 0.03 -0.12 -0.04 1.22 1.15 3gh5A1 ASP 51 H 0.03 0.48 -0.24 -0.55 8.40 8.11 3gh5A1 ASP 51 HA 0.03 0.03 0.41 -0.75 4.63 4.35 3gh5A1 ASP 51 HB2 0.02 0.11 0.19 -0.04 2.71 2.98 3gh5A1 ASP 51 HB3 0.02 -0.00 0.03 -0.04 2.70 2.70 3gh5A1 GLU 52 H 0.06 0.38 -0.14 -0.55 8.60 8.35 3gh5A1 GLU 52 HA 0.08 0.07 0.50 -0.75 4.29 4.19 3gh5A1 GLU 52 HB2 0.06 0.02 0.15 -0.04 2.09 2.28 3gh5A1 GLU 52 HB3 0.07 0.03 0.17 -0.04 1.99 2.22 3gh5A1 GLU 52 HG2 0.16 -0.01 -0.10 -0.04 2.34 2.35 3gh5A1 GLU 52 HG3 0.10 0.03 0.07 -0.04 2.34 2.51 3gh5A1 LEU 53 H 0.08 0.51 -0.10 -0.55 8.37 8.31 3gh5A1 LEU 53 HA 0.05 0.05 0.45 -0.75 4.35 4.14 3gh5A1 LEU 53 HB2 0.07 0.06 0.05 -0.04 1.64 1.78 3gh5A1 LEU 53 HB3 0.03 0.02 -0.05 -0.04 1.64 1.61 3gh5A1 LEU 53 HG 0.03 0.16 -0.03 -0.04 1.64 1.76 3gh5A1 LEU 53 HD13 -0.01 -0.04 -0.30 -0.04 0.93 0.54 3gh5A1 LEU 53 HD23 -0.00 0.00 -0.10 -0.04 0.89 0.74 3gh5A1 PHE 54 H 0.21 0.53 -0.25 -0.55 8.34 8.28 3gh5A1 PHE 54 HA 0.00 -0.00 0.39 -0.75 4.62 4.26 3gh5A1 PHE 54 HB2 0.00 0.02 0.09 -0.04 3.15 3.22 3gh5A1 PHE 54 HB3 0.00 0.21 0.17 -0.04 3.06 3.40 3gh5A1 PHE 54 HD2 -0.01 0.01 -0.17 -0.04 7.28 7.07 3gh5A1 PHE 54 HE2 -0.03 0.08 -0.14 -0.04 7.38 7.26 3gh5A1 PHE 54 HZ -0.03 0.02 0.01 -0.04 7.32 7.28 3gh5A1 ASN 55 H 0.16 0.42 -0.15 -0.55 8.53 8.42 3gh5A1 ASN 55 HA -0.03 0.00 0.48 -0.75 4.76 4.46 3gh5A1 ASN 55 HB2 0.06 0.16 0.18 -0.04 2.88 3.23 3gh5A1 ASN 55 HB3 0.01 0.01 0.03 -0.04 2.79 2.80 3gh5A1 ASN 55 HD21 0.06 -0.07 -0.01 -0.04 7.03 6.96 3gh5A1 ASN 55 HD22 0.04 0.01 0.04 -0.04 7.74 7.78 3gh5A1 ILE 56 H 0.05 0.40 -0.15 -0.55 8.25 8.00 3gh5A1 ILE 56 HA 0.08 0.10 0.46 -0.75 4.18 4.07 3gh5A1 ILE 56 HB 0.04 0.05 0.15 -0.04 1.89 2.09 3gh5A1 ILE 56 HG12 0.28 0.09 0.01 -0.04 1.49 1.84 3gh5A1 ILE 56 HG13 0.16 0.07 0.06 -0.04 1.21 1.45 3gh5A1 ILE 56 HG23 0.07 -0.01 -0.19 -0.04 0.93 0.76 3gh5A1 ILE 56 HD13 0.06 -0.05 -0.07 -0.04 0.88 0.77 3gh5A1 GLY 57 H -0.05 0.68 -0.12 -0.55 8.43 8.39 3gh5A1 GLY 57 HA2 -0.08 0.01 0.35 -0.51 4.01 3.78 3gh5A1 GLY 57 HA3 -0.13 0.03 0.25 -0.51 4.01 3.65 3gh5A1 GLN 58 H -0.25 0.54 -0.18 -0.55 8.47 8.04 3gh5A1 GLN 58 HA -0.20 -0.01 0.42 -0.75 4.36 3.81 3gh5A1 GLN 58 HB2 -0.18 0.14 0.17 -0.04 2.15 2.24 3gh5A1 GLN 58 HB3 -0.14 -0.04 0.03 -0.04 2.02 1.82 3gh5A1 GLN 58 HG2 -0.45 -0.07 0.03 -0.04 2.40 1.88 3gh5A1 GLN 58 HG3 -0.84 0.22 0.04 -0.04 2.39 1.77 3gh5A1 GLN 58 HE21 0.09 -0.03 0.00 -0.04 6.97 6.99 3gh5A1 GLN 58 HE22 -0.21 -0.03 0.02 -0.04 7.69 7.44 3gh5A1 ALA 59 H -0.07 0.47 -0.22 -0.55 8.40 8.04 3gh5A1 ALA 59 HA -0.05 -0.02 0.43 -0.75 4.34 3.94 3gh5A1 ALA 59 HB3 0.01 0.05 0.11 -0.04 1.41 1.54 3gh5A1 LEU 60 H -0.06 0.46 -0.17 -0.55 8.37 8.05 3gh5A1 LEU 60 HA -0.10 0.07 0.42 -0.75 4.35 3.99 3gh5A1 LEU 60 HB2 -0.10 0.03 0.06 -0.04 1.64 1.59 3gh5A1 LEU 60 HB3 -0.08 0.10 0.14 -0.04 1.64 1.75 3gh5A1 LEU 60 HG -0.09 -0.03 -0.29 -0.04 1.64 1.19 3gh5A1 LEU 60 HD13 -0.14 0.00 -0.01 -0.04 0.93 0.74 3gh5A1 LEU 60 HD23 -0.09 -0.02 -0.08 -0.04 0.89 0.66 3gh5A1 ALA 61 H -0.09 0.64 -0.07 -0.55 8.40 8.33 3gh5A1 ALA 61 HA -0.07 -0.04 0.33 -0.75 4.34 3.80 3gh5A1 ALA 61 HB3 -0.09 0.06 0.02 -0.04 1.41 1.36 3gh5A1 LYS 62 H -0.08 0.56 -0.22 -0.55 8.42 8.13 3gh5A1 LYS 62 HA -0.06 -0.02 0.39 -0.75 4.32 3.88 3gh5A1 LYS 62 HB2 -0.05 0.03 0.13 -0.04 1.87 1.93 3gh5A1 LYS 62 HB3 -0.06 0.17 0.14 -0.04 1.79 2.00 3gh5A1 LYS 62 HG2 -0.04 0.03 -0.13 -0.04 1.46 1.28 3gh5A1 LYS 62 HG3 -0.04 -0.05 0.04 -0.04 1.46 1.37 3gh5A1 LYS 62 HD2 -0.03 -0.04 -0.00 -0.04 1.69 1.58 3gh5A1 LYS 62 HD3 -0.03 0.02 -0.01 -0.04 1.68 1.63 3gh5A1 LYS 62 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 3gh5A1 LYS 62 HE3 -0.01 -0.06 -0.02 -0.04 2.99 2.86 3gh5A1 LYS 63 H -0.08 0.45 -0.16 -0.55 8.42 8.06 3gh5A1 LYS 63 HA -0.09 0.02 0.40 -0.75 4.32 3.89 3gh5A1 LYS 63 HB2 -0.12 0.08 0.17 -0.04 1.87 1.96 3gh5A1 LYS 63 HB3 -0.12 0.03 -0.01 -0.04 1.79 1.65 3gh5A1 LYS 63 HG2 -0.07 -0.06 0.02 -0.04 1.46 1.30 3gh5A1 LYS 63 HG3 -0.07 0.18 0.09 -0.04 1.46 1.61 3gh5A1 LYS 63 HD2 -0.08 -0.04 -0.06 -0.04 1.69 1.47 3gh5A1 LYS 63 HD3 -0.13 0.00 -0.03 -0.04 1.68 1.48 3gh5A1 LYS 63 HE2 -0.13 0.01 -0.04 -0.04 2.99 2.79 3gh5A1 LYS 63 HE3 -0.11 0.05 -0.03 -0.04 2.99 2.85 3gh5A1 LEU 64 H -0.12 0.60 -0.05 -0.55 8.37 8.25 3gh5A1 LEU 64 HA -0.26 0.10 0.46 -0.75 4.35 3.90 3gh5A1 LEU 64 HB2 -0.11 0.04 0.08 -0.04 1.64 1.61 3gh5A1 LEU 64 HB3 -0.18 -0.10 -0.03 -0.04 1.64 1.30 3gh5A1 LEU 64 HG -0.13 0.17 -0.00 -0.04 1.64 1.64 3gh5A1 LEU 64 HD13 -0.06 -0.04 -0.14 -0.04 0.93 0.65 3gh5A1 LEU 64 HD23 -0.17 0.00 -0.05 -0.04 0.89 0.63 3gh5A1 ASN 65 H -0.11 0.70 -0.16 -0.55 8.53 8.41 3gh5A1 ASN 65 HA -0.12 -0.16 0.41 -0.75 4.76 4.14 3gh5A1 ASN 65 HB2 -0.06 0.11 0.13 -0.04 2.88 3.02 3gh5A1 ASN 65 HB3 -0.04 0.01 0.03 -0.04 2.79 2.75 3gh5A1 ASN 65 HD21 -0.02 0.13 -0.05 -0.04 7.03 7.04 3gh5A1 ASN 65 HD22 -0.03 -0.06 -0.11 -0.04 7.74 7.49 3gh5A1 ALA 66 H -0.12 0.45 -0.31 -0.55 8.40 7.87 3gh5A1 ALA 66 HA -0.07 -0.07 0.23 -0.75 4.34 3.68 3gh5A1 ALA 66 HB3 -0.08 0.06 0.07 -0.04 1.41 1.42 3gh5A1 SER 67 H -0.23 0.29 -0.25 -0.55 8.46 7.72 3gh5A1 SER 67 HA -0.09 0.22 0.39 -0.75 4.49 4.26 3gh5A1 SER 67 HB2 -0.21 -0.04 0.06 -0.04 3.95 3.71 3gh5A1 SER 67 HB3 -0.15 0.24 0.00 -0.04 3.93 3.98 3gh5A1 THR 68 H -0.47 0.49 0.03 -0.55 8.28 7.78 3gh5A1 THR 68 HA -0.46 0.15 0.58 -0.75 4.39 3.91 3gh5A1 THR 68 HB -1.96 -0.10 0.04 -0.04 4.32 2.26 3gh5A1 THR 68 HG23 -1.55 0.03 0.03 -0.04 1.22 -0.30 3gh5A1 GLY 69 H -0.20 0.47 -0.26 -0.55 8.43 7.90 3gh5A1 GLY 69 HA2 -0.04 0.09 0.29 -0.51 4.01 3.84 3gh5A1 GLY 69 HA3 -0.01 -0.01 0.56 -0.51 4.01 4.04 3gh5A1 TYR 70 H -0.22 0.01 -0.29 -0.55 8.29 7.24 3gh5A1 TYR 70 HA -0.01 0.09 0.56 -0.75 4.56 4.44 3gh5A1 TYR 70 HB2 -0.07 -0.01 -0.08 -0.04 3.06 2.86 3gh5A1 TYR 70 HB3 -0.02 0.02 0.04 -0.04 2.98 2.98 3gh5A1 TYR 70 HD2 -0.02 0.04 -0.25 -0.04 7.15 6.88 3gh5A1 TYR 70 HE2 0.10 0.07 -0.19 -0.04 6.85 6.79 3gh5A1 THR 71 H 0.09 0.20 0.02 -0.55 8.28 8.04 3gh5A1 THR 71 HA 0.02 0.21 0.64 -0.75 4.39 4.51 3gh5A1 THR 71 HB 0.02 -0.04 0.17 -0.04 4.32 4.42 3gh5A1 THR 71 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 3gh5A1 ILE 72 H 0.04 0.14 -0.22 -0.55 8.25 7.66 3gh5A1 ILE 72 HA 0.01 0.23 0.62 -0.75 4.18 4.29 3gh5A1 ILE 72 HB -0.00 -0.02 0.04 -0.04 1.89 1.87 3gh5A1 ILE 72 HG12 0.07 0.17 -0.07 -0.04 1.49 1.61 3gh5A1 ILE 72 HG13 0.12 -0.15 -0.09 -0.04 1.21 1.05 3gh5A1 ILE 72 HG23 0.01 0.02 -0.24 -0.04 0.93 0.67 3gh5A1 ILE 72 HD13 0.09 -0.00 -0.14 -0.04 0.88 0.78 3gh5A1 SER 73 H -0.02 0.21 0.28 -0.55 8.46 8.38 3gh5A1 SER 73 HA -0.06 0.18 0.83 -0.75 4.49 4.69 3gh5A1 SER 73 HB2 -0.03 -0.04 0.11 -0.04 3.95 3.95 3gh5A1 SER 73 HB3 -0.02 0.08 0.00 -0.04 3.93 3.95 3gh5A1 VAL 74 H -0.09 0.17 0.18 -0.55 8.24 7.96 3gh5A1 VAL 74 HA -0.12 0.37 1.01 -0.75 4.13 4.64 3gh5A1 VAL 74 HB -0.61 -0.05 0.06 -0.04 2.12 1.47 3gh5A1 VAL 74 HG13 -0.20 0.02 -0.07 -0.04 0.97 0.67 3gh5A1 VAL 74 HG23 -0.24 0.00 -0.33 -0.04 0.95 0.34 3gh5A1 VAL 75 H -0.12 0.71 0.43 -0.55 8.24 8.71 3gh5A1 VAL 75 HA -0.01 0.12 0.88 -0.75 4.13 4.37 3gh5A1 VAL 75 HB -0.99 -0.00 0.06 -0.04 2.12 1.14 3gh5A1 VAL 75 HG13 -0.23 -0.01 -0.21 -0.04 0.97 0.48 3gh5A1 VAL 75 HG23 -0.34 0.02 -0.23 -0.04 0.95 0.36 3gh5A1 LYS 76 H 0.02 0.17 0.14 -0.55 8.42 8.20 3gh5A1 LYS 76 HA 0.12 0.21 0.92 -0.75 4.32 4.82 3gh5A1 LYS 76 HB2 -0.03 -0.02 0.24 -0.04 1.87 2.02 3gh5A1 LYS 76 HB3 0.02 -0.03 0.09 -0.04 1.79 1.82 3gh5A1 LYS 76 HG2 0.06 0.05 -0.04 -0.04 1.46 1.49 3gh5A1 LYS 76 HG3 -0.09 0.01 -0.03 -0.04 1.46 1.31 3gh5A1 LYS 76 HD2 -0.22 -0.00 0.03 -0.04 1.69 1.46 3gh5A1 LYS 76 HD3 -0.12 -0.06 -0.04 -0.04 1.68 1.43 3gh5A1 LYS 76 HE2 -0.39 0.02 -0.07 -0.04 2.99 2.51 3gh5A1 LYS 76 HE3 -1.19 0.04 -0.02 -0.04 2.99 1.78 3gh5A1 SER 77 H 0.21 0.53 0.27 -0.55 8.46 8.92 3gh5A1 SER 77 HA 0.13 0.03 0.57 -0.75 4.49 4.47 3gh5A1 SER 77 HB2 0.15 0.15 -0.11 -0.04 3.95 4.10 3gh5A1 SER 77 HB3 0.36 0.01 -0.25 -0.04 3.93 4.01 3gh5A1 ASN 78 H 0.11 0.15 0.07 -0.55 8.53 8.32 3gh5A1 ASN 78 HA 0.18 0.23 0.77 -0.75 4.76 5.19 3gh5A1 ASN 78 HB2 0.16 0.05 0.14 -0.04 2.88 3.19 3gh5A1 ASN 78 HB3 0.16 -0.04 0.03 -0.04 2.79 2.90 3gh5A1 ASN 78 HD21 0.04 -0.01 -0.02 -0.04 7.03 7.00 3gh5A1 ASN 78 HD22 0.07 0.01 0.00 -0.04 7.74 7.78 3gh5A1 GLN 79 H 0.04 0.02 -0.45 -0.55 8.47 7.54 3gh5A1 GLN 79 HA -0.23 0.27 0.85 -0.75 4.36 4.49 3gh5A1 GLN 79 HB2 0.00 -0.05 0.07 -0.04 2.15 2.13 3gh5A1 GLN 79 HB3 -0.08 0.05 0.07 -0.04 2.02 2.01 3gh5A1 GLN 79 HG2 -0.06 0.11 -0.11 -0.04 2.40 2.30 3gh5A1 GLN 79 HG3 -0.01 -0.17 -0.36 -0.04 2.39 1.81 3gh5A1 GLN 79 HE21 0.01 0.00 -0.02 -0.04 6.97 6.92 3gh5A1 GLN 79 HE22 0.02 -0.06 -0.05 -0.04 7.69 7.55 3gh5A1 PRO 80 HA -2.55 -0.00 0.30 -0.51 4.44 1.67 3gh5A1 PRO 80 HB2 -0.47 0.12 -0.15 -0.04 2.28 1.74 3gh5A1 PRO 80 HB3 -0.70 0.02 -0.03 -0.04 2.02 1.27 3gh5A1 PRO 80 HG2 -0.52 0.02 -0.09 -0.04 2.03 1.40 3gh5A1 PRO 80 HG3 -1.19 0.04 -0.10 -0.04 2.03 0.74 3gh5A1 PRO 80 HD2 -0.61 0.26 -0.22 -0.04 3.68 3.07 3gh5A1 PRO 80 HD3 -0.96 0.05 -0.40 -0.04 3.65 2.30 3gh5A1 THR 81 H -0.67 0.09 0.14 -0.55 8.28 7.29 3gh5A1 THR 81 HA -0.14 0.07 0.52 -0.75 4.39 4.08 3gh5A1 THR 81 HB 0.01 -0.04 0.11 -0.04 4.32 4.35 3gh5A1 THR 81 HG23 0.08 0.03 -0.11 -0.04 1.22 1.17 3gh5A1 ALA 82 H -0.04 0.06 0.15 -0.55 8.40 8.02 3gh5A1 ALA 82 HA 0.01 0.11 0.53 -0.75 4.34 4.23 3gh5A1 ALA 82 HB3 -0.01 -0.01 0.14 -0.04 1.41 1.49 3gh5A1 GLY 83 H 0.12 0.90 0.47 -0.55 8.43 9.38 3gh5A1 GLY 83 HA2 -0.02 0.05 0.38 -0.51 4.01 3.91 3gh5A1 GLY 83 HA3 0.00 0.02 0.68 -0.51 4.01 4.20 3gh5A1 SER 84 H 0.13 0.32 0.07 -0.55 8.46 8.43 3gh5A1 SER 84 HA 0.22 0.09 0.67 -0.75 4.49 4.71 3gh5A1 SER 84 HB2 -0.04 -0.02 0.04 -0.04 3.95 3.89 3gh5A1 SER 84 HB3 0.23 0.07 0.04 -0.04 3.93 4.22 3gh5A1 ILE 85 H 0.17 0.49 0.40 -0.55 8.25 8.76 3gh5A1 ILE 85 HA -0.04 0.14 0.91 -0.75 4.18 4.44 3gh5A1 ILE 85 HB 0.05 -0.03 0.17 -0.04 1.89 2.03 3gh5A1 ILE 85 HG12 -0.15 0.00 0.01 -0.04 1.49 1.31 3gh5A1 ILE 85 HG13 0.06 -0.00 -0.11 -0.04 1.21 1.12 3gh5A1 ILE 85 HG23 -0.04 -0.01 -0.16 -0.04 0.93 0.68 3gh5A1 ILE 85 HD13 0.00 0.01 -0.09 -0.04 0.88 0.77 3gh5A1 TYR 86 H 0.09 0.80 0.33 -0.55 8.29 8.96 3gh5A1 TYR 86 HA 0.09 0.21 1.07 -0.75 4.56 5.18 3gh5A1 TYR 86 HB2 -0.03 -0.04 -0.11 -0.04 3.06 2.84 3gh5A1 TYR 86 HB3 -0.03 0.01 0.18 -0.04 2.98 3.11 3gh5A1 TYR 86 HD2 0.06 0.03 -0.08 -0.04 7.15 7.11 3gh5A1 TYR 86 HE2 0.05 0.02 -0.13 -0.04 6.85 6.75 3gh5A1 LEU 87 H 0.00 0.77 0.39 -0.55 8.37 8.99 3gh5A1 LEU 87 HA -0.19 0.24 1.08 -0.75 4.35 4.73 3gh5A1 LEU 87 HB2 -0.05 -0.10 0.16 -0.04 1.64 1.61 3gh5A1 LEU 87 HB3 -0.09 -0.00 0.03 -0.04 1.64 1.54 3gh5A1 LEU 87 HG -0.01 0.02 -0.14 -0.04 1.64 1.47 3gh5A1 LEU 87 HD13 -0.05 0.00 -0.11 -0.04 0.93 0.73 3gh5A1 LEU 87 HD23 -0.09 0.03 -0.18 -0.04 0.89 0.61 3gh5A1 THR 88 H -0.24 0.83 0.41 -0.55 8.28 8.73 3gh5A1 THR 88 HA -0.17 0.15 1.03 -0.75 4.39 4.63 3gh5A1 THR 88 HB -0.86 0.02 -0.20 -0.04 4.32 3.24 3gh5A1 THR 88 HG23 -0.23 0.03 -0.09 -0.04 1.22 0.90 3gh5A1 THR 89 H -0.05 0.31 0.28 -0.55 8.28 8.27 3gh5A1 THR 89 HA -0.03 0.43 0.87 -0.75 4.39 4.91 3gh5A1 THR 89 HB -0.00 0.12 0.04 -0.04 4.32 4.43 3gh5A1 THR 89 HG23 -0.02 -0.02 -0.41 -0.04 1.22 0.74 3gh5A1 VAL 90 H -0.03 0.15 -0.04 -0.55 8.24 7.77 3gh5A1 VAL 90 HA 0.01 0.03 0.57 -0.75 4.13 3.99 3gh5A1 VAL 90 HB 0.04 0.04 0.09 -0.04 2.12 2.25 3gh5A1 VAL 90 HG13 0.03 0.01 -0.11 -0.04 0.97 0.85 3gh5A1 VAL 90 HG23 0.03 -0.00 -0.22 -0.04 0.95 0.72 3gh5A1 GLY 91 H 0.01 0.16 0.22 -0.55 8.43 8.28 3gh5A1 GLY 91 HA2 0.01 -0.00 0.28 -0.51 4.01 3.79 3gh5A1 GLY 91 HA3 0.01 0.10 0.49 -0.51 4.01 4.11 3gh5A1 GLY 92 H 0.00 0.23 -0.27 -0.55 8.43 7.84 3gh5A1 GLY 92 HA2 0.00 0.02 0.05 -0.51 4.01 3.57 3gh5A1 GLY 92 HA3 0.00 0.08 -0.17 -0.51 4.01 3.41 3gh5A1 ASN 93 H 0.00 0.17 -0.01 -0.55 8.53 8.14 3gh5A1 ASN 93 HA -0.00 0.10 0.65 -0.75 4.76 4.74 3gh5A1 ASN 93 HB2 -0.01 0.10 0.09 -0.04 2.88 3.02 3gh5A1 ASN 93 HB3 -0.01 0.02 0.14 -0.04 2.79 2.89 3gh5A1 ASN 93 HD21 -0.02 0.01 -0.03 -0.04 7.03 6.95 3gh5A1 ASN 93 HD22 -0.02 0.06 -0.01 -0.04 7.74 7.73 3gh5A1 ALA 94 H -0.01 0.25 0.13 -0.55 8.40 8.23 3gh5A1 ALA 94 HA -0.01 0.07 0.21 -0.75 4.34 3.86 3gh5A1 ALA 94 HB3 -0.01 0.02 0.08 -0.04 1.41 1.47 3gh5A1 ALA 95 H -0.02 0.05 -0.36 -0.55 8.40 7.53 3gh5A1 ALA 95 HA -0.03 0.08 0.37 -0.75 4.34 4.01 3gh5A1 ALA 95 HB3 -0.03 0.01 0.02 -0.04 1.41 1.37 3gh5A1 LEU 96 H -0.03 0.48 -0.37 -0.55 8.37 7.91 3gh5A1 LEU 96 HA -0.07 0.14 0.61 -0.75 4.35 4.28 3gh5A1 LEU 96 HB2 -0.02 0.08 0.01 -0.04 1.64 1.67 3gh5A1 LEU 96 HB3 -0.05 0.04 0.21 -0.04 1.64 1.79 3gh5A1 LEU 96 HG -0.04 -0.11 -0.04 -0.04 1.64 1.41 3gh5A1 LEU 96 HD13 -0.06 0.00 -0.06 -0.04 0.93 0.77 3gh5A1 LEU 96 HD23 -0.08 0.02 -0.15 -0.04 0.89 0.65 3gh5A1 GLY 97 H -0.02 0.37 -0.28 -0.55 8.43 7.94 3gh5A1 GLY 97 HA2 -0.01 0.06 0.32 -0.51 4.01 3.87 3gh5A1 GLY 97 HA3 -0.03 0.08 0.36 -0.51 4.01 3.92 3gh5A1 ASN 98 H 0.01 0.18 0.19 -0.55 8.53 8.36 3gh5A1 ASN 98 HA 0.02 -0.01 0.34 -0.75 4.76 4.35 3gh5A1 ASN 98 HB2 0.04 0.07 0.13 -0.04 2.88 3.08 3gh5A1 ASN 98 HB3 0.04 -0.01 0.04 -0.04 2.79 2.82 3gh5A1 ASN 98 HD21 0.04 -0.01 0.03 -0.04 7.03 7.06 3gh5A1 ASN 98 HD22 0.05 0.07 0.04 -0.04 7.74 7.86 3gh5A1 GLU 99 H 0.02 0.10 -0.14 -0.55 8.60 8.04 3gh5A1 GLU 99 HA 0.12 0.10 0.60 -0.75 4.29 4.36 3gh5A1 GLU 99 HB2 0.04 0.03 0.05 -0.04 2.09 2.17 3gh5A1 GLU 99 HB3 0.32 0.08 0.09 -0.04 1.99 2.44 3gh5A1 GLU 99 HG2 0.11 -0.00 -0.11 -0.04 2.34 2.30 3gh5A1 GLU 99 HG3 0.07 -0.14 -0.03 -0.04 2.34 2.19 3gh5A1 GLY 100 H 0.05 0.14 -0.26 -0.55 8.43 7.81 3gh5A1 GLY 100 HA2 0.14 0.11 0.53 -0.51 4.01 4.28 3gh5A1 GLY 100 HA3 0.00 0.12 0.50 -0.51 4.01 4.12 3gh5A1 TYR 101 H -0.28 0.58 0.42 -0.55 8.29 8.46 3gh5A1 TYR 101 HA 0.01 0.04 0.75 -0.75 4.56 4.60 3gh5A1 TYR 101 HB2 -0.02 0.01 -0.08 -0.04 3.06 2.94 3gh5A1 TYR 101 HB3 0.01 0.15 -0.32 -0.04 2.98 2.78 3gh5A1 TYR 101 HD2 0.06 0.09 -0.39 -0.04 7.15 6.87 3gh5A1 TYR 101 HE2 0.05 0.04 -0.19 -0.04 6.85 6.70 3gh5A1 ASP 102 H 0.09 0.71 0.43 -0.55 8.40 9.08 3gh5A1 ASP 102 HA -0.01 0.28 0.98 -0.75 4.63 5.13 3gh5A1 ASP 102 HB2 0.03 -0.05 0.21 -0.04 2.71 2.86 3gh5A1 ASP 102 HB3 0.03 0.02 0.10 -0.04 2.70 2.81 3gh5A1 LEU 103 H 0.10 0.66 0.26 -0.55 8.37 8.84 3gh5A1 LEU 103 HA 0.05 0.23 1.01 -0.75 4.35 4.90 3gh5A1 LEU 103 HB2 0.18 0.01 -0.17 -0.04 1.64 1.62 3gh5A1 LEU 103 HB3 0.18 -0.02 0.08 -0.04 1.64 1.85 3gh5A1 LEU 103 HG 0.00 -0.01 -0.26 -0.04 1.64 1.33 3gh5A1 LEU 103 HD13 -0.07 0.01 -0.19 -0.04 0.93 0.64 3gh5A1 LEU 103 HD23 -0.07 0.03 -0.14 -0.04 0.89 0.67 3gh5A1 ILE 104 H 0.00 0.71 0.31 -0.55 8.25 8.73 3gh5A1 ILE 104 HA 0.01 0.30 1.18 -0.75 4.18 4.91 3gh5A1 ILE 104 HB 0.00 -0.02 0.15 -0.04 1.89 1.98 3gh5A1 ILE 104 HG12 0.03 0.02 0.03 -0.04 1.49 1.53 3gh5A1 ILE 104 HG13 0.03 -0.09 -0.27 -0.04 1.21 0.84 3gh5A1 ILE 104 HG23 -0.00 0.00 -0.13 -0.04 0.93 0.76 3gh5A1 ILE 104 HD13 0.02 -0.01 -0.04 -0.04 0.88 0.81 3gh5A1 THR 105 H -0.05 0.70 0.39 -0.55 8.28 8.77 3gh5A1 THR 105 HA -0.17 0.15 1.09 -0.75 4.39 4.70 3gh5A1 THR 105 HB -0.05 0.07 0.20 -0.04 4.32 4.50 3gh5A1 THR 105 HG23 -0.11 -0.01 -0.23 -0.04 1.22 0.83 3gh5A1 THR 106 H -0.15 0.75 0.33 -0.55 8.28 8.66 3gh5A1 THR 106 HA -1.04 0.19 0.84 -0.75 4.39 3.62 3gh5A1 THR 106 HB -0.01 -0.12 0.17 -0.04 4.32 4.33 3gh5A1 THR 106 HG23 -0.06 0.04 -0.12 -0.04 1.22 1.04 3gh5A1 SER 107 H 0.11 0.12 0.12 -0.55 8.46 8.26 3gh5A1 SER 107 HA 0.15 0.28 0.24 -0.75 4.49 4.40 3gh5A1 SER 107 HB2 0.10 -0.08 0.13 -0.04 3.95 4.07 3gh5A1 SER 107 HB3 0.07 0.04 0.10 -0.04 3.93 4.10 3gh5A1 ASN 108 H 0.09 0.00 -0.14 -0.55 8.53 7.94 3gh5A1 ASN 108 HA 0.09 0.22 0.86 -0.75 4.76 5.17 3gh5A1 ASN 108 HB2 0.04 0.01 0.03 -0.04 2.88 2.92 3gh5A1 ASN 108 HB3 0.04 -0.04 0.08 -0.04 2.79 2.82 3gh5A1 ASN 108 HD21 0.02 0.01 -0.01 -0.04 7.03 7.01 3gh5A1 ASN 108 HD22 0.02 0.01 0.00 -0.04 7.74 7.73 3gh5A1 GLN 109 H 0.15 0.14 -0.24 -0.55 8.47 7.97 3gh5A1 GLN 109 HA 0.16 0.34 0.86 -0.75 4.36 4.96 3gh5A1 GLN 109 HB2 0.02 -0.04 -0.48 -0.04 2.15 1.60 3gh5A1 GLN 109 HB3 -0.00 -0.10 -0.14 -0.04 2.02 1.74 3gh5A1 GLN 109 HG2 0.01 0.05 -0.40 -0.04 2.40 2.01 3gh5A1 GLN 109 HG3 0.00 0.15 -0.06 -0.04 2.39 2.44 3gh5A1 GLN 109 HE21 -0.14 -0.02 -0.13 -0.04 6.97 6.64 3gh5A1 GLN 109 HE22 0.11 0.02 -0.18 -0.04 7.69 7.60 3gh5A1 VAL 110 H -0.29 0.59 0.32 -0.55 8.24 8.31 3gh5A1 VAL 110 HA -0.26 0.16 0.97 -0.75 4.13 4.25 3gh5A1 VAL 110 HB -0.33 -0.07 0.25 -0.04 2.12 1.92 3gh5A1 VAL 110 HG13 -0.18 0.00 -0.18 -0.04 0.97 0.57 3gh5A1 VAL 110 HG23 -1.08 0.02 -0.10 -0.04 0.95 -0.25 3gh5A1 THR 111 H -0.07 0.74 0.27 -0.55 8.28 8.67 3gh5A1 THR 111 HA 0.03 0.29 1.16 -0.75 4.39 5.12 3gh5A1 THR 111 HB 0.03 -0.02 0.13 -0.04 4.32 4.41 3gh5A1 THR 111 HG23 0.08 -0.02 -0.20 -0.04 1.22 1.04 3gh5A1 LEU 112 H -0.08 0.78 0.38 -0.55 8.37 8.90 3gh5A1 LEU 112 HA -0.01 0.30 1.09 -0.75 4.35 4.98 3gh5A1 LEU 112 HB2 -0.10 -0.02 0.01 -0.04 1.64 1.50 3gh5A1 LEU 112 HB3 -0.11 -0.12 0.23 -0.04 1.64 1.61 3gh5A1 LEU 112 HG -0.08 0.06 -0.03 -0.04 1.64 1.55 3gh5A1 LEU 112 HD13 -0.24 -0.03 -0.16 -0.04 0.93 0.46 3gh5A1 LEU 112 HD23 -0.06 0.01 -0.23 -0.04 0.89 0.57 3gh5A1 THR 113 H 0.03 0.68 0.32 -0.55 8.28 8.76 3gh5A1 THR 113 HA -0.06 0.32 1.02 -0.75 4.39 4.92 3gh5A1 THR 113 HB 0.01 -0.09 0.11 -0.04 4.32 4.31 3gh5A1 THR 113 HG23 -0.01 -0.01 -0.32 -0.04 1.22 0.84 3gh5A1 ALA 114 H -0.02 0.59 0.35 -0.55 8.40 8.78 3gh5A1 ALA 114 HA 0.05 0.18 0.92 -0.75 4.34 4.73 3gh5A1 ALA 114 HB3 0.03 0.02 -0.09 -0.04 1.41 1.34 3gh5A1 ASN 115 H 0.03 0.38 0.12 -0.55 8.53 8.51 3gh5A1 ASN 115 HA 0.01 0.07 0.72 -0.75 4.76 4.79 3gh5A1 ASN 115 HB2 0.01 0.18 -0.00 -0.04 2.88 3.02 3gh5A1 ASN 115 HB3 0.01 -0.06 -0.05 -0.04 2.79 2.64 3gh5A1 ASN 115 HD21 -0.00 0.37 -0.19 -0.04 7.03 7.16 3gh5A1 ASN 115 HD22 0.01 0.52 -0.12 -0.04 7.74 8.11 3gh5A1 LYS 116 H 0.00 0.25 0.11 -0.55 8.42 8.23 3gh5A1 LYS 116 HA -0.00 0.19 0.87 -0.75 4.32 4.62 3gh5A1 LYS 116 HB2 -0.01 0.17 0.14 -0.04 1.87 2.13 3gh5A1 LYS 116 HB3 -0.01 -0.05 0.12 -0.04 1.79 1.82 3gh5A1 LYS 116 HG2 0.01 -0.03 -0.53 -0.04 1.46 0.87 3gh5A1 LYS 116 HG3 0.02 -0.00 -0.01 -0.04 1.46 1.42 3gh5A1 LYS 116 HD2 0.02 -0.01 0.05 -0.04 1.69 1.71 3gh5A1 LYS 116 HD3 0.02 0.04 0.08 -0.04 1.68 1.77 3gh5A1 LYS 116 HE2 0.02 -0.00 -0.01 -0.04 2.99 2.96 3gh5A1 LYS 116 HE3 0.02 -0.02 0.02 -0.04 2.99 2.97 3gh5A1 PRO 117 HA -0.06 0.06 0.43 -0.51 4.44 4.36 3gh5A1 PRO 117 HB2 0.01 0.08 0.04 -0.04 2.28 2.38 3gh5A1 PRO 117 HB3 0.04 0.08 -0.02 -0.04 2.02 2.08 3gh5A1 PRO 117 HG2 0.05 0.05 0.10 -0.04 2.03 2.20 3gh5A1 PRO 117 HG3 0.02 0.01 0.08 -0.04 2.03 2.10 3gh5A1 PRO 117 HD2 0.01 0.14 0.24 -0.04 3.68 4.03 3gh5A1 PRO 117 HD3 0.01 0.12 0.20 -0.04 3.65 3.93 3gh5A1 GLU 118 H -0.20 0.08 -0.18 -0.55 8.60 7.76 3gh5A1 GLU 118 HA -1.18 0.10 0.35 -0.75 4.29 2.81 3gh5A1 GLU 118 HB2 -0.14 -0.06 0.10 -0.04 2.09 1.95 3gh5A1 GLU 118 HB3 -0.08 0.11 0.06 -0.04 1.99 2.04 3gh5A1 GLU 118 HG2 0.00 0.05 -0.17 -0.04 2.34 2.18 3gh5A1 GLU 118 HG3 -0.07 0.07 0.06 -0.04 2.34 2.36 3gh5A1 GLY 119 H -0.06 0.13 -0.19 -0.55 8.43 7.77 3gh5A1 GLY 119 HA2 0.10 0.17 0.33 -0.51 4.01 4.10 3gh5A1 GLY 119 HA3 0.07 0.11 0.20 -0.51 4.01 3.87 3gh5A1 VAL 120 H -0.07 0.25 -0.20 -0.55 8.24 7.67 3gh5A1 VAL 120 HA -0.11 0.03 0.44 -0.75 4.13 3.74 3gh5A1 VAL 120 HB -0.07 0.12 0.11 -0.04 2.12 2.24 3gh5A1 VAL 120 HG13 -0.08 -0.01 -0.14 -0.04 0.97 0.70 3gh5A1 VAL 120 HG23 -0.06 -0.01 -0.16 -0.04 0.95 0.69 3gh5A1 PHE 121 H -0.08 0.52 -0.09 -0.55 8.34 8.14 3gh5A1 PHE 121 HA -0.13 -0.01 0.41 -0.75 4.62 4.13 3gh5A1 PHE 121 HB2 -0.15 -0.10 0.05 -0.04 3.15 2.91 3gh5A1 PHE 121 HB3 -0.31 0.16 0.12 -0.04 3.06 2.99 3gh5A1 PHE 121 HD2 -0.01 -0.03 -0.10 -0.04 7.28 7.10 3gh5A1 PHE 121 HE2 -0.05 0.04 -0.02 -0.04 7.38 7.32 3gh5A1 PHE 121 HZ -0.08 -0.03 -0.03 -0.04 7.32 7.14 3gh5A1 ARG 122 H -0.02 0.49 -0.08 -0.55 8.46 8.30 3gh5A1 ARG 122 HA -0.25 0.10 0.39 -0.75 4.34 3.82 3gh5A1 ARG 122 HB2 0.11 0.12 0.13 -0.04 1.90 2.21 3gh5A1 ARG 122 HB3 -0.01 -0.03 0.03 -0.04 1.80 1.74 3gh5A1 ARG 122 HG2 0.15 0.15 0.11 -0.04 1.67 2.04 3gh5A1 ARG 122 HG3 0.29 -0.05 0.07 -0.04 1.67 1.94 3gh5A1 ARG 122 HD2 0.20 0.01 0.03 -0.04 3.22 3.42 3gh5A1 ARG 122 HD3 0.19 0.03 -0.00 -0.04 3.22 3.40 3gh5A1 GLY 123 H -0.43 0.59 -0.24 -0.55 8.43 7.80 3gh5A1 GLY 123 HA2 -1.68 -0.01 0.30 -0.51 4.01 2.10 3gh5A1 GLY 123 HA3 -1.05 0.02 0.22 -0.51 4.01 2.69 3gh5A1 ASN 124 H -0.41 0.59 -0.30 -0.55 8.53 7.86 3gh5A1 ASN 124 HA -0.28 -0.08 0.45 -0.75 4.76 4.10 3gh5A1 ASN 124 HB2 -0.44 0.26 0.13 -0.04 2.88 2.79 3gh5A1 ASN 124 HB3 -0.31 -0.04 -0.02 -0.04 2.79 2.38 3gh5A1 ASN 124 HD21 -0.10 -0.12 -0.16 -0.04 7.03 6.60 3gh5A1 ASN 124 HD22 -0.12 0.05 -0.10 -0.04 7.74 7.53 3gh5A1 GLN 125 H -0.50 0.50 -0.37 -0.55 8.47 7.55 3gh5A1 GLN 125 HA -0.35 0.01 0.50 -0.75 4.36 3.77 3gh5A1 GLN 125 HB2 -0.39 0.08 0.10 -0.04 2.15 1.89 3gh5A1 GLN 125 HB3 -0.36 0.16 0.14 -0.04 2.02 1.92 3gh5A1 GLN 125 HG2 -0.64 0.11 0.16 -0.04 2.40 1.98 3gh5A1 GLN 125 HG3 -0.37 0.17 0.10 -0.04 2.39 2.25 3gh5A1 GLN 125 HE21 -0.87 -0.12 -0.11 -0.04 6.97 5.83 3gh5A1 GLN 125 HE22 -1.45 0.50 0.03 -0.04 7.69 6.73 3gh5A1 THR 126 H -0.37 0.28 -0.20 -0.55 8.28 7.44 3gh5A1 THR 126 HA -0.19 0.09 0.49 -0.75 4.39 4.03 3gh5A1 THR 126 HB -0.24 0.15 0.09 -0.04 4.32 4.28 3gh5A1 THR 126 HG23 -0.05 -0.03 -0.15 -0.04 1.22 0.95 3gh5A1 LEU 127 H -0.25 0.49 -0.13 -0.55 8.37 7.94 3gh5A1 LEU 127 HA -0.12 -0.02 0.29 -0.75 4.35 3.75 3gh5A1 LEU 127 HB2 -0.17 -0.02 0.02 -0.04 1.64 1.43 3gh5A1 LEU 127 HB3 -0.19 0.15 0.13 -0.04 1.64 1.68 3gh5A1 LEU 127 HG -0.12 0.05 -0.23 -0.04 1.64 1.29 3gh5A1 LEU 127 HD13 -0.11 -0.02 -0.06 -0.04 0.93 0.69 3gh5A1 LEU 127 HD23 -0.13 -0.02 -0.09 -0.04 0.89 0.60 3gh5A1 LEU 128 H -0.19 0.53 -0.27 -0.55 8.37 7.89 3gh5A1 LEU 128 HA -0.12 -0.03 0.35 -0.75 4.35 3.80 3gh5A1 LEU 128 HB2 -0.20 0.18 0.11 -0.04 1.64 1.68 3gh5A1 LEU 128 HB3 -0.15 -0.01 -0.07 -0.04 1.64 1.36 3gh5A1 LEU 128 HG -0.17 -0.00 -0.02 -0.04 1.64 1.40 3gh5A1 LEU 128 HD13 -0.15 -0.02 -0.09 -0.04 0.93 0.63 3gh5A1 LEU 128 HD23 -0.17 0.03 -0.04 -0.04 0.89 0.67 3gh5A1 GLN 129 H -0.13 0.32 -0.56 -0.55 8.47 7.56 3gh5A1 GLN 129 HA -0.06 0.10 0.58 -0.75 4.36 4.22 3gh5A1 GLN 129 HB2 -0.11 0.05 0.07 -0.04 2.15 2.12 3gh5A1 GLN 129 HB3 -0.03 -0.06 -0.17 -0.04 2.02 1.71 3gh5A1 GLN 129 HG2 0.03 -0.07 0.04 -0.04 2.40 2.36 3gh5A1 GLN 129 HG3 -0.13 0.09 0.02 -0.04 2.39 2.32 3gh5A1 GLN 129 HE21 -0.07 0.31 0.19 -0.04 6.97 7.36 3gh5A1 GLN 129 HE22 -0.05 -0.12 0.05 -0.04 7.69 7.53 3gh5A1 LEU 130 H -0.07 0.35 -0.26 -0.55 8.37 7.83 3gh5A1 LEU 130 HA -0.03 -0.03 0.69 -0.75 4.35 4.23 3gh5A1 LEU 130 HB2 -0.04 0.14 0.09 -0.04 1.64 1.79 3gh5A1 LEU 130 HB3 0.02 -0.07 -0.03 -0.04 1.64 1.51 3gh5A1 LEU 130 HG -0.09 0.15 -0.14 -0.04 1.64 1.52 3gh5A1 LEU 130 HD13 -0.01 -0.04 -0.13 -0.04 0.93 0.71 3gh5A1 LEU 130 HD23 -0.05 -0.02 -0.06 -0.04 0.89 0.72 3gh5A1 LEU 131 H -0.01 0.21 -0.16 -0.55 8.37 7.86 3gh5A1 LEU 131 HA 0.12 0.22 0.58 -0.75 4.35 4.52 3gh5A1 LEU 131 HB2 -0.00 0.10 0.03 -0.04 1.64 1.73 3gh5A1 LEU 131 HB3 0.13 -0.01 0.00 -0.04 1.64 1.71 3gh5A1 LEU 131 HG 0.04 -0.03 -0.11 -0.04 1.64 1.50 3gh5A1 LEU 131 HD13 -0.06 -0.02 -0.10 -0.04 0.93 0.71 3gh5A1 LEU 131 HD23 0.21 0.01 -0.19 -0.04 0.89 0.87 3gh5A1 PRO 132 HA 0.06 0.06 0.33 -0.51 4.44 4.37 3gh5A1 PRO 132 HB2 0.13 -0.00 -0.10 -0.04 2.28 2.27 3gh5A1 PRO 132 HB3 0.00 -0.02 0.09 -0.04 2.02 2.05 3gh5A1 PRO 132 HG2 0.06 0.12 0.18 -0.04 2.03 2.34 3gh5A1 PRO 132 HG3 0.07 0.10 0.19 -0.04 2.03 2.35 3gh5A1 PRO 132 HD2 0.52 -0.03 0.13 -0.04 3.68 4.27 3gh5A1 PRO 132 HD3 0.22 0.44 0.29 -0.04 3.65 4.56 3gh5A1 ALA 133 H 0.01 0.15 0.14 -0.55 8.40 8.16 3gh5A1 ALA 133 HA -0.01 0.02 0.54 -0.75 4.34 4.14 3gh5A1 ALA 133 HB3 -0.03 0.01 0.05 -0.04 1.41 1.40 3gh5A1 GLY 134 H 0.04 0.05 0.11 -0.55 8.43 8.08 3gh5A1 GLY 134 HA2 0.10 -0.02 0.34 -0.51 4.01 3.92 3gh5A1 GLY 134 HA3 0.23 0.23 0.70 -0.51 4.01 4.66 3gh5A1 ILE 135 H 0.21 0.68 -0.07 -0.55 8.25 8.52 3gh5A1 ILE 135 HA -0.36 0.04 0.40 -0.75 4.18 3.50 3gh5A1 ILE 135 HB 0.03 0.08 0.01 -0.04 1.89 1.97 3gh5A1 ILE 135 HG12 -0.19 -0.01 -0.02 -0.04 1.49 1.23 3gh5A1 ILE 135 HG13 -0.28 0.02 0.05 -0.04 1.21 0.95 3gh5A1 ILE 135 HG23 -0.05 0.02 -0.13 -0.04 0.93 0.72 3gh5A1 ILE 135 HD13 -0.80 -0.03 0.01 -0.04 0.88 0.02 3gh5A1 GLU 136 H -0.03 -0.12 -0.32 -0.55 8.60 7.58 3gh5A1 GLU 136 HA -0.09 0.15 0.40 -0.75 4.29 3.99 3gh5A1 GLU 136 HB2 -0.05 -0.09 -0.16 -0.04 2.09 1.75 3gh5A1 GLU 136 HB3 -0.07 0.01 0.02 -0.04 1.99 1.91 3gh5A1 GLU 136 HG2 -0.11 0.02 -0.01 -0.04 2.34 2.21 3gh5A1 GLU 136 HG3 -0.10 0.10 -0.06 -0.04 2.34 2.24 3gh5A1 LYS 137 H -0.02 0.30 -0.46 -0.55 8.42 7.68 3gh5A1 LYS 137 HA -0.02 0.21 0.48 -0.75 4.32 4.23 3gh5A1 LYS 137 HB2 0.03 0.03 0.18 -0.04 1.87 2.07 3gh5A1 LYS 137 HB3 -0.00 0.24 0.07 -0.04 1.79 2.06 3gh5A1 LYS 137 HG2 0.02 0.06 0.01 -0.04 1.46 1.51 3gh5A1 LYS 137 HG3 0.00 -0.20 0.15 -0.04 1.46 1.37 3gh5A1 LYS 137 HD2 0.01 0.17 0.15 -0.04 1.69 1.97 3gh5A1 LYS 137 HD3 0.02 -0.05 0.06 -0.04 1.68 1.67 3gh5A1 LYS 137 HE2 0.01 -0.04 0.02 -0.04 2.99 2.93 3gh5A1 LYS 137 HE3 0.01 -0.02 0.01 -0.04 2.99 2.94 3gh5A1 ASN 138 H -0.02 0.13 0.18 -0.55 8.53 8.27 3gh5A1 ASN 138 HA -0.04 0.21 0.72 -0.75 4.76 4.89 3gh5A1 ASN 138 HB2 -0.02 -0.06 0.07 -0.04 2.88 2.83 3gh5A1 ASN 138 HB3 -0.02 -0.08 0.15 -0.04 2.79 2.80 3gh5A1 ASN 138 HD21 -0.04 0.01 -0.05 -0.04 7.03 6.91 3gh5A1 ASN 138 HD22 -0.04 0.07 -0.09 -0.04 7.74 7.63 3gh5A1 THR 139 H -0.02 0.09 -0.16 -0.55 8.28 7.65 3gh5A1 THR 139 HA -0.02 0.17 0.82 -0.75 4.39 4.61 3gh5A1 THR 139 HB 0.00 -0.03 0.08 -0.04 4.32 4.33 3gh5A1 THR 139 HG23 -0.00 -0.03 -0.13 -0.04 1.22 1.02 3gh5A1 VAL 140 H -0.00 -0.03 0.13 -0.55 8.24 7.79 3gh5A1 VAL 140 HA -0.01 0.24 0.32 -0.75 4.13 3.93 3gh5A1 VAL 140 HB 0.02 -0.15 0.07 -0.04 2.12 2.02 3gh5A1 VAL 140 HG13 0.04 -0.01 -0.35 -0.04 0.97 0.61 3gh5A1 VAL 140 HG23 -0.02 -0.02 -0.02 -0.04 0.95 0.86 3gh5A1 VAL 141 H 0.14 0.89 0.36 -0.55 8.24 9.09 3gh5A1 VAL 141 HA 0.08 0.02 0.90 -0.75 4.13 4.38 3gh5A1 VAL 141 HB 0.53 0.08 0.13 -0.04 2.12 2.82 3gh5A1 VAL 141 HG13 0.06 -0.04 -0.12 -0.04 0.97 0.82 3gh5A1 VAL 141 HG23 0.12 0.04 0.06 -0.04 0.95 1.12 3gh5A1 SER 142 H 0.03 0.13 0.15 -0.55 8.46 8.22 3gh5A1 SER 142 HA 0.03 0.19 0.85 -0.75 4.49 4.81 3gh5A1 SER 142 HB2 0.00 -0.07 0.08 -0.04 3.95 3.92 3gh5A1 SER 142 HB3 0.03 0.04 -0.01 -0.04 3.93 3.95 3gh5A1 GLY 143 H -0.07 0.14 0.13 -0.55 8.43 8.07 3gh5A1 GLY 143 HA2 -0.10 -0.03 0.29 -0.51 4.01 3.66 3gh5A1 GLY 143 HA3 -0.09 0.07 0.33 -0.51 4.01 3.81 3gh5A1 VAL 144 H -0.38 0.18 -0.36 -0.55 8.24 7.13 3gh5A1 VAL 144 HA -0.36 0.14 0.88 -0.75 4.13 4.04 3gh5A1 VAL 144 HB -1.22 0.02 -0.09 -0.04 2.12 0.79 3gh5A1 VAL 144 HG13 -0.60 0.04 -0.18 -0.04 0.97 0.18 3gh5A1 VAL 144 HG23 -0.23 0.04 -0.20 -0.04 0.95 0.52 3gh5A1 GLN 145 H -0.31 0.14 0.06 -0.55 8.47 7.82 3gh5A1 GLN 145 HA -0.32 0.05 0.64 -0.75 4.36 3.98 3gh5A1 GLN 145 HB2 -0.14 -0.03 0.06 -0.04 2.15 2.00 3gh5A1 GLN 145 HB3 -0.12 0.03 0.07 -0.04 2.02 1.96 3gh5A1 GLN 145 HG2 -0.03 0.06 -0.25 -0.04 2.40 2.13 3gh5A1 GLN 145 HG3 -0.06 -0.02 -0.00 -0.04 2.39 2.26 3gh5A1 GLN 145 HE21 -0.03 -0.03 -0.06 -0.04 6.97 6.81 3gh5A1 GLN 145 HE22 -0.02 -0.00 -0.07 -0.04 7.69 7.55 3gh5A1 TRP 146 H -0.02 0.14 0.13 -0.55 7.97 7.67 3gh5A1 TRP 146 HA 0.02 0.18 0.46 -0.75 4.62 4.52 3gh5A1 TRP 146 HB2 0.09 0.13 0.32 -0.04 3.23 3.74 3gh5A1 TRP 146 HB3 0.05 0.00 0.11 -0.04 3.23 3.36 3gh5A1 TRP 146 HD1 0.09 -0.05 0.11 -0.04 7.22 7.34 3gh5A1 TRP 146 HE1 -0.22 0.04 0.12 -0.04 10.20 10.10 3gh5A1 TRP 146 HE3 -0.02 0.03 -0.08 -0.04 7.59 7.48 3gh5A1 TRP 146 HZ2 -0.11 0.24 0.01 -0.04 7.44 7.55 3gh5A1 TRP 146 HZ3 -0.05 0.01 -0.31 -0.04 7.13 6.74 3gh5A1 TRP 146 HH2 -0.07 -0.01 -0.32 -0.04 7.19 6.75 3gh5A1 VAL 147 H 0.13 0.40 0.26 -0.55 8.24 8.47 3gh5A1 VAL 147 HA 0.16 0.24 1.03 -0.75 4.13 4.80 3gh5A1 VAL 147 HB 0.08 -0.01 -0.05 -0.04 2.12 2.10 3gh5A1 VAL 147 HG13 0.02 -0.06 -0.24 -0.04 0.97 0.65 3gh5A1 VAL 147 HG23 0.03 0.06 -0.02 -0.04 0.95 0.99 3gh5A1 ILE 148 H 0.22 0.53 0.29 -0.55 8.25 8.74 3gh5A1 ILE 148 HA 0.12 0.42 0.76 -0.75 4.18 4.72 3gh5A1 ILE 148 HB 0.19 -0.17 -0.02 -0.04 1.89 1.85 3gh5A1 ILE 148 HG12 0.10 0.16 -0.33 -0.04 1.49 1.38 3gh5A1 ILE 148 HG13 0.25 -0.09 -0.54 -0.04 1.21 0.78 3gh5A1 ILE 148 HG23 0.03 0.07 -0.16 -0.04 0.93 0.83 3gh5A1 ILE 148 HD13 -0.04 -0.03 -0.17 -0.04 0.88 0.60 3gh5A1 PRO 149 HA 0.11 0.04 0.53 -0.51 4.44 4.61 3gh5A1 PRO 149 HB2 0.09 0.10 -0.02 -0.04 2.28 2.41 3gh5A1 PRO 149 HB3 0.08 0.02 0.10 -0.04 2.02 2.17 3gh5A1 PRO 149 HG2 0.16 -0.05 -0.01 -0.04 2.03 2.09 3gh5A1 PRO 149 HG3 0.14 0.07 0.02 -0.04 2.03 2.22 3gh5A1 PRO 149 HD2 0.10 0.13 0.17 -0.04 3.68 4.05 3gh5A1 PRO 149 HD3 0.09 0.27 0.10 -0.04 3.65 4.07 3gh5A1 HIS 150 H 0.19 0.45 0.09 -0.55 8.41 8.59 3gh5A1 HIS 150 HA 0.06 0.13 0.39 -0.75 4.63 4.45 3gh5A1 HIS 150 HB2 0.04 -0.04 -0.37 -0.04 3.26 2.85 3gh5A1 HIS 150 HB3 0.02 -0.06 -0.27 -0.04 3.20 2.84 3gh5A1 HIS 150 HD2 0.04 -0.09 -0.04 -0.04 6.97 6.84 3gh5A1 HIS 150 HE1 0.02 -0.06 -0.00 -0.04 7.75 7.67 3gh5A1 SER 151 H -0.01 0.43 0.43 -0.55 8.46 8.76 3gh5A1 SER 151 HA 0.07 0.05 0.90 -0.75 4.49 4.76 3gh5A1 SER 151 HB2 0.20 -0.02 0.07 -0.04 3.95 4.15 3gh5A1 SER 151 HB3 0.12 0.06 -0.22 -0.04 3.93 3.85 3gh5A1 ASN 152 H 0.05 0.67 0.37 -0.55 8.53 9.07 3gh5A1 ASN 152 HA 0.06 0.16 1.04 -0.75 4.76 5.27 3gh5A1 ASN 152 HB2 0.05 -0.02 -0.12 -0.04 2.88 2.76 3gh5A1 ASN 152 HB3 0.03 -0.07 0.11 -0.04 2.79 2.82 3gh5A1 ASN 152 HD21 0.03 -0.03 -0.06 -0.04 7.03 6.92 3gh5A1 ASN 152 HD22 0.04 -0.01 -0.05 -0.04 7.74 7.68 3gh5A1 ILE 153 H 0.08 0.53 0.30 -0.55 8.25 8.62 3gh5A1 ILE 153 HA 0.12 0.33 1.03 -0.75 4.18 4.91 3gh5A1 ILE 153 HB 0.14 -0.02 0.19 -0.04 1.89 2.15 3gh5A1 ILE 153 HG12 0.21 0.06 0.08 -0.04 1.49 1.81 3gh5A1 ILE 153 HG13 0.30 -0.14 -0.40 -0.04 1.21 0.93 3gh5A1 ILE 153 HG23 0.08 0.02 -0.11 -0.04 0.93 0.88 3gh5A1 ILE 153 HD13 0.04 0.01 -0.10 -0.04 0.88 0.79 3gh5A1 SER 154 H 0.02 0.34 0.28 -0.55 8.46 8.55 3gh5A1 SER 154 HA -0.12 0.25 0.89 -0.75 4.49 4.75 3gh5A1 SER 154 HB2 -0.06 -0.00 0.14 -0.04 3.95 3.98 3gh5A1 SER 154 HB3 -0.02 -0.03 0.05 -0.04 3.93 3.88 3gh5A1 ASP 155 H -0.32 0.49 0.37 -0.55 8.40 8.40 3gh5A1 ASP 155 HA -0.03 -0.06 0.87 -0.75 4.63 4.65 3gh5A1 ASP 155 HB2 -0.33 0.01 -0.43 -0.04 2.71 1.91 3gh5A1 ASP 155 HB3 -0.85 0.04 -0.05 -0.04 2.70 1.80 3gh5A1 LYS 156 H -0.03 0.35 0.28 -0.55 8.42 8.48 3gh5A1 LYS 156 HA -0.15 0.10 0.36 -0.75 4.32 3.88 3gh5A1 LYS 156 HB2 -0.21 0.12 0.17 -0.04 1.87 1.91 3gh5A1 LYS 156 HB3 -0.13 -0.02 0.17 -0.04 1.79 1.77 3gh5A1 LYS 156 HG2 -0.14 -0.16 -0.11 -0.04 1.46 1.01 3gh5A1 LYS 156 HG3 -0.26 0.08 -0.23 -0.04 1.46 1.01 3gh5A1 LYS 156 HD2 -0.12 0.06 0.04 -0.04 1.69 1.64 3gh5A1 LYS 156 HD3 -0.11 -0.11 -0.05 -0.04 1.68 1.36 3gh5A1 LYS 156 HE2 -0.21 0.24 -0.05 -0.04 2.99 2.92 3gh5A1 LYS 156 HE3 -0.13 -0.06 -0.00 -0.04 2.99 2.76 3gh5A1 PRO 157 HA -1.89 0.24 0.81 -0.51 4.44 3.09 3gh5A1 PRO 157 HB2 -0.44 0.23 -0.02 -0.04 2.28 2.00 3gh5A1 PRO 157 HB3 -1.29 0.06 0.08 -0.04 2.02 0.84 3gh5A1 PRO 157 HG2 -0.32 -0.03 -0.07 -0.04 2.03 1.57 3gh5A1 PRO 157 HG3 -0.25 0.02 0.02 -0.04 2.03 1.77 3gh5A1 PRO 157 HD2 -0.33 0.05 0.17 -0.04 3.68 3.53 3gh5A1 PRO 157 HD3 -0.53 0.15 -0.02 -0.04 3.65 3.21 3gh5A1 GLU 158 H -0.46 0.52 0.35 -0.55 8.60 8.47 3gh5A1 GLU 158 HA -0.34 -0.01 0.63 -0.75 4.29 3.81 3gh5A1 GLU 158 HB2 -0.22 -0.02 -0.14 -0.04 2.09 1.67 3gh5A1 GLU 158 HB3 -0.15 0.21 -0.12 -0.04 1.99 1.90 3gh5A1 GLU 158 HG2 -0.23 -0.04 -0.05 -0.04 2.34 1.98 3gh5A1 GLU 158 HG3 -0.82 -0.01 -0.12 -0.04 2.34 1.34 3gh5A1 TYR 159 H -0.05 0.48 0.21 -0.55 8.29 8.38 3gh5A1 TYR 159 HA -0.04 0.13 1.00 -0.75 4.56 4.90 3gh5A1 TYR 159 HB2 -0.02 0.16 0.17 -0.04 3.06 3.33 3gh5A1 TYR 159 HB3 0.01 -0.04 0.13 -0.04 2.98 3.04 3gh5A1 TYR 159 HD2 -0.03 0.23 -0.05 -0.04 7.15 7.26 3gh5A1 TYR 159 HE2 -0.05 -0.01 0.01 -0.04 6.85 6.76 3gh5A1 GLU 160 H 0.14 0.21 0.22 -0.55 8.60 8.62 3gh5A1 GLU 160 HA 0.03 0.09 0.46 -0.75 4.29 4.11 3gh5A1 GLU 160 HB2 0.13 -0.01 0.14 -0.04 2.09 2.30 3gh5A1 GLU 160 HB3 0.23 0.06 0.16 -0.04 1.99 2.40 3gh5A1 GLU 160 HG2 0.17 -0.01 -0.13 -0.04 2.34 2.33 3gh5A1 GLU 160 HG3 0.11 -0.02 0.07 -0.04 2.34 2.46 3gh5A1 TYR 161 H 0.04 0.43 0.07 -0.55 8.29 8.28 3gh5A1 TYR 161 HA -0.21 0.15 0.74 -0.75 4.56 4.48 3gh5A1 TYR 161 HB2 -1.49 0.00 -0.20 -0.04 3.06 1.33 3gh5A1 TYR 161 HB3 -0.44 -0.13 -0.29 -0.04 2.98 2.07 3gh5A1 TYR 161 HD2 -0.37 0.07 -0.32 -0.04 7.15 6.48 3gh5A1 TYR 161 HE2 -0.06 -0.02 -0.21 -0.04 6.85 6.51 3gh5A1 ARG 162 H -0.27 0.22 -0.00 -0.55 8.46 7.85 3gh5A1 ARG 162 HA 0.09 0.13 0.91 -0.75 4.34 4.72 3gh5A1 ARG 162 HB2 0.10 0.04 0.24 -0.04 1.90 2.23 3gh5A1 ARG 162 HB3 0.13 0.04 0.10 -0.04 1.80 2.02 3gh5A1 ARG 162 HG2 0.14 -0.07 -0.09 -0.04 1.67 1.61 3gh5A1 ARG 162 HG3 0.11 -0.05 -0.65 -0.04 1.67 1.04 3gh5A1 ARG 162 HD2 0.33 -0.04 -0.24 -0.04 3.22 3.24 3gh5A1 ARG 162 HD3 0.20 0.10 -0.18 -0.04 3.22 3.30 3gh5A1 GLY 163 H 0.14 0.62 0.25 -0.55 8.43 8.90 3gh5A1 GLY 163 HA2 -0.05 0.27 0.87 -0.51 4.01 4.59 3gh5A1 GLY 163 HA3 0.06 -0.08 0.19 -0.51 4.01 3.66 3gh5A1 LEU 164 H 0.11 0.63 0.34 -0.55 8.37 8.91 3gh5A1 LEU 164 HA 0.04 0.23 0.86 -0.75 4.35 4.72 3gh5A1 LEU 164 HB2 0.09 0.07 0.02 -0.04 1.64 1.78 3gh5A1 LEU 164 HB3 0.23 0.04 0.13 -0.04 1.64 2.00 3gh5A1 LEU 164 HG 0.14 -0.10 -0.46 -0.04 1.64 1.18 3gh5A1 LEU 164 HD13 -0.03 0.02 -0.03 -0.04 0.93 0.85 3gh5A1 LEU 164 HD23 0.14 0.00 -0.14 -0.04 0.89 0.85 3gh5A1 MET 165 H -0.13 0.76 0.31 -0.55 8.47 8.87 3gh5A1 MET 165 HA -0.41 0.36 1.09 -0.75 4.52 4.81 3gh5A1 MET 165 HB2 -0.32 -0.01 -0.07 -0.04 2.15 1.71 3gh5A1 MET 165 HB3 -0.51 -0.15 0.09 -0.04 2.03 1.43 3gh5A1 MET 165 HG2 -0.74 0.05 -0.32 -0.04 2.63 1.58 3gh5A1 MET 165 HG3 -1.79 -0.00 -0.22 -0.04 2.56 0.52 3gh5A1 MET 165 HE3 -2.01 -0.03 -0.33 -0.04 2.10 -0.31 3gh5A1 LEU 166 H -0.52 0.50 0.23 -0.55 8.37 8.03 3gh5A1 LEU 166 HA -0.19 0.25 0.97 -0.75 4.35 4.63 3gh5A1 LEU 166 HB2 0.12 0.05 -0.08 -0.04 1.64 1.69 3gh5A1 LEU 166 HB3 0.01 -0.04 0.03 -0.04 1.64 1.59 3gh5A1 LEU 166 HG 0.06 0.01 -0.46 -0.04 1.64 1.20 3gh5A1 LEU 166 HD13 -0.13 0.02 -0.03 -0.04 0.93 0.75 3gh5A1 LEU 166 HD23 0.05 -0.01 -0.15 -0.04 0.89 0.74 3gh5A1 ASP 167 H -0.16 0.64 0.16 -0.55 8.40 8.49 3gh5A1 ASP 167 HA 0.03 0.04 0.78 -0.75 4.63 4.73 3gh5A1 ASP 167 HB2 -0.27 -0.00 0.11 -0.04 2.71 2.51 3gh5A1 ASP 167 HB3 0.06 0.13 0.34 -0.04 2.70 3.19 3gh5A1 VAL 168 H 0.16 0.47 0.21 -0.55 8.24 8.53 3gh5A1 VAL 168 HA 0.35 0.41 0.83 -0.75 4.13 4.97 3gh5A1 VAL 168 HB 0.28 -0.04 0.11 -0.04 2.12 2.43 3gh5A1 VAL 168 HG13 0.29 0.01 -0.19 -0.04 0.97 1.04 3gh5A1 VAL 168 HG23 0.31 0.02 -0.14 -0.04 0.95 1.10 3gh5A1 ALA 169 H 0.23 -0.05 -0.12 -0.55 8.40 7.91 3gh5A1 ALA 169 HA 0.14 0.25 0.36 -0.75 4.34 4.34 3gh5A1 ALA 169 HB3 0.16 -0.05 -0.22 -0.04 1.41 1.25 3gh5A1 ARG 170 H 0.20 -0.05 -0.17 -0.55 8.46 7.89 3gh5A1 ARG 170 HA 0.02 0.01 0.37 -0.75 4.34 3.99 3gh5A1 ARG 170 HB2 0.19 -0.13 -0.08 -0.04 1.90 1.83 3gh5A1 ARG 170 HB3 0.07 0.20 -0.36 -0.04 1.80 1.67 3gh5A1 ARG 170 HG2 0.11 -0.12 -0.03 -0.04 1.67 1.59 3gh5A1 ARG 170 HG3 0.05 0.11 -0.02 -0.04 1.67 1.77 3gh5A1 ARG 170 HD2 0.13 -0.01 -0.25 -0.04 3.22 3.05 3gh5A1 ARG 170 HD3 0.22 -0.03 -0.04 -0.04 3.22 3.32 3gh5A1 HIS 171 H 0.26 0.12 -0.18 -0.55 8.41 8.07 3gh5A1 HIS 171 HA 0.04 0.14 0.32 -0.75 4.63 4.38 3gh5A1 HIS 171 HB2 0.18 0.04 0.08 -0.04 3.26 3.52 3gh5A1 HIS 171 HB3 -0.20 0.04 0.02 -0.04 3.20 3.02 3gh5A1 HIS 171 HD2 0.02 -0.05 0.04 -0.04 6.97 6.94 3gh5A1 HIS 171 HE1 0.05 0.21 -0.13 -0.04 7.75 7.83 3gh5A1 PHE 172 H 0.10 0.14 -0.04 -0.55 8.34 7.99 3gh5A1 PHE 172 HA 0.01 0.20 0.54 -0.75 4.62 4.61 3gh5A1 PHE 172 HB2 -0.04 0.10 -0.18 -0.04 3.15 2.98 3gh5A1 PHE 172 HB3 -0.09 0.03 -0.13 -0.04 3.06 2.84 3gh5A1 PHE 172 HD2 -0.09 0.10 -0.21 -0.04 7.28 7.03 3gh5A1 PHE 172 HE2 -0.67 -0.09 -0.19 -0.04 7.38 6.39 3gh5A1 PHE 172 HZ -0.37 -0.05 -0.18 -0.04 7.32 6.67 3gh5A1 PHE 173 H -0.53 0.21 0.12 -0.55 8.34 7.58 3gh5A1 PHE 173 HA -0.21 0.13 0.74 -0.75 4.62 4.53 3gh5A1 PHE 173 HB2 -0.07 -0.00 -0.05 -0.04 3.15 2.98 3gh5A1 PHE 173 HB3 -0.07 -0.09 -0.07 -0.04 3.06 2.80 3gh5A1 PHE 173 HD2 0.03 -0.06 -0.14 -0.04 7.28 7.08 3gh5A1 PHE 173 HE2 0.13 -0.07 -0.39 -0.04 7.38 7.00 3gh5A1 PHE 173 HZ 0.17 -0.01 -0.57 -0.04 7.32 6.87 3gh5A1 THR 174 H -0.01 0.11 0.10 -0.55 8.28 7.93 3gh5A1 THR 174 HA -0.02 0.17 0.28 -0.75 4.39 4.06 3gh5A1 THR 174 HB 0.08 -0.03 0.15 -0.04 4.32 4.48 3gh5A1 THR 174 HG23 0.09 0.06 0.06 -0.04 1.22 1.38 3gh5A1 VAL 175 H 0.17 0.19 0.17 -0.55 8.24 8.23 3gh5A1 VAL 175 HA 0.02 0.13 0.49 -0.75 4.13 4.01 3gh5A1 VAL 175 HB 0.05 -0.03 0.15 -0.04 2.12 2.25 3gh5A1 VAL 175 HG13 -0.08 0.03 -0.09 -0.04 0.97 0.78 3gh5A1 VAL 175 HG23 0.17 0.02 0.09 -0.04 0.95 1.19 3gh5A1 ASP 176 H 0.00 0.08 -0.13 -0.55 8.40 7.80 3gh5A1 ASP 176 HA -0.12 0.13 0.36 -0.75 4.63 4.25 3gh5A1 ASP 176 HB2 -0.00 -0.08 0.06 -0.04 2.71 2.64 3gh5A1 ASP 176 HB3 -0.03 0.10 -0.04 -0.04 2.70 2.68 3gh5A1 GLU 177 H 0.01 -0.00 -0.33 -0.55 8.60 7.74 3gh5A1 GLU 177 HA -0.01 0.11 0.40 -0.75 4.29 4.04 3gh5A1 GLU 177 HB2 0.10 0.01 0.05 -0.04 2.09 2.21 3gh5A1 GLU 177 HB3 0.08 0.05 -0.04 -0.04 1.99 2.04 3gh5A1 GLU 177 HG2 0.07 0.05 0.03 -0.04 2.34 2.45 3gh5A1 GLU 177 HG3 0.05 -0.06 0.02 -0.04 2.34 2.31 3gh5A1 VAL 178 H -0.01 0.56 -0.23 -0.55 8.24 8.01 3gh5A1 VAL 178 HA -0.03 0.03 0.40 -0.75 4.13 3.77 3gh5A1 VAL 178 HB -0.07 0.06 0.11 -0.04 2.12 2.18 3gh5A1 VAL 178 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.73 3gh5A1 VAL 178 HG23 0.12 0.02 -0.15 -0.04 0.95 0.90 3gh5A1 LYS 179 H -0.19 0.66 -0.04 -0.55 8.42 8.30 3gh5A1 LYS 179 HA -0.29 0.03 0.36 -0.75 4.32 3.67 3gh5A1 LYS 179 HB2 -0.38 0.05 0.14 -0.04 1.87 1.64 3gh5A1 LYS 179 HB3 -1.04 0.03 -0.04 -0.04 1.79 0.70 3gh5A1 LYS 179 HG2 -0.85 0.01 0.01 -0.04 1.46 0.59 3gh5A1 LYS 179 HG3 -0.36 0.02 0.03 -0.04 1.46 1.11 3gh5A1 LYS 179 HD2 -0.35 -0.08 -0.12 -0.04 1.69 1.10 3gh5A1 LYS 179 HD3 -0.88 0.05 -0.04 -0.04 1.68 0.76 3gh5A1 LYS 179 HE2 -0.27 0.09 -0.09 -0.04 2.99 2.67 3gh5A1 LYS 179 HE3 -0.20 -0.09 -0.14 -0.04 2.99 2.53 3gh5A1 ARG 180 H -0.12 0.45 -0.32 -0.55 8.46 7.92 3gh5A1 ARG 180 HA -0.01 0.06 0.38 -0.75 4.34 4.01 3gh5A1 ARG 180 HB2 -0.04 0.01 0.09 -0.04 1.90 1.92 3gh5A1 ARG 180 HB3 -0.03 0.05 0.13 -0.04 1.80 1.91 3gh5A1 ARG 180 HG2 -0.00 -0.02 -0.22 -0.04 1.67 1.38 3gh5A1 ARG 180 HG3 -0.01 0.04 0.01 -0.04 1.67 1.68 3gh5A1 ARG 180 HD2 -0.01 -0.00 -0.02 -0.04 3.22 3.15 3gh5A1 ARG 180 HD3 -0.00 -0.10 -0.03 -0.04 3.22 3.04 3gh5A1 GLN 181 H -0.07 0.43 -0.18 -0.55 8.47 8.11 3gh5A1 GLN 181 HA 0.04 0.02 0.36 -0.75 4.36 4.04 3gh5A1 GLN 181 HB2 -0.07 0.06 0.07 -0.04 2.15 2.17 3gh5A1 GLN 181 HB3 0.02 -0.04 -0.04 -0.04 2.02 1.92 3gh5A1 GLN 181 HG2 -0.04 0.20 0.04 -0.04 2.40 2.56 3gh5A1 GLN 181 HG3 -0.07 -0.08 -0.06 -0.04 2.39 2.13 3gh5A1 GLN 181 HE21 0.06 -0.01 -0.13 -0.04 6.97 6.85 3gh5A1 GLN 181 HE22 -0.02 -0.04 -0.05 -0.04 7.69 7.54 3gh5A1 ILE 182 H -0.21 0.52 -0.23 -0.55 8.25 7.78 3gh5A1 ILE 182 HA -0.25 -0.01 0.34 -0.75 4.18 3.51 3gh5A1 ILE 182 HB -0.08 0.10 0.10 -0.04 1.89 1.97 3gh5A1 ILE 182 HG12 -1.23 -0.04 -0.09 -0.04 1.49 0.08 3gh5A1 ILE 182 HG13 -0.94 0.08 -0.04 -0.04 1.21 0.27 3gh5A1 ILE 182 HG23 -0.10 0.00 -0.22 -0.04 0.93 0.58 3gh5A1 ILE 182 HD13 -0.39 -0.04 -0.16 -0.04 0.88 0.26 3gh5A1 ASP 183 H 0.07 0.61 -0.15 -0.55 8.40 8.38 3gh5A1 ASP 183 HA 0.03 0.04 0.32 -0.75 4.63 4.27 3gh5A1 ASP 183 HB2 0.25 0.01 0.08 -0.04 2.71 3.01 3gh5A1 ASP 183 HB3 0.07 0.05 0.13 -0.04 2.70 2.91 3gh5A1 LEU 184 H 0.04 0.62 -0.07 -0.55 8.37 8.41 3gh5A1 LEU 184 HA 0.03 0.07 0.33 -0.75 4.35 4.03 3gh5A1 LEU 184 HB2 0.14 -0.00 0.09 -0.04 1.64 1.82 3gh5A1 LEU 184 HB3 0.04 -0.05 -0.05 -0.04 1.64 1.55 3gh5A1 LEU 184 HG 0.01 0.16 0.04 -0.04 1.64 1.81 3gh5A1 LEU 184 HD13 -0.07 -0.04 -0.12 -0.04 0.93 0.66 3gh5A1 LEU 184 HD23 -0.05 0.01 -0.04 -0.04 0.89 0.77 3gh5A1 ALA 185 H 0.13 0.56 -0.20 -0.55 8.40 8.34 3gh5A1 ALA 185 HA 0.31 -0.03 0.32 -0.75 4.34 4.19 3gh5A1 ALA 185 HB3 0.11 -0.01 0.04 -0.04 1.41 1.50 3gh5A1 SER 186 H 0.06 0.53 -0.28 -0.55 8.46 8.23 3gh5A1 SER 186 HA 0.10 0.17 0.35 -0.75 4.49 4.35 3gh5A1 SER 186 HB2 0.24 0.01 0.09 -0.04 3.95 4.25 3gh5A1 SER 186 HB3 0.05 0.03 0.09 -0.04 3.93 4.06 3gh5A1 GLN 187 H -0.04 0.40 -0.41 -0.55 8.47 7.88 3gh5A1 GLN 187 HA -0.28 0.03 0.43 -0.75 4.36 3.78 3gh5A1 GLN 187 HB2 -0.43 0.14 0.10 -0.04 2.15 1.92 3gh5A1 GLN 187 HB3 -0.48 -0.03 0.11 -0.04 2.02 1.58 3gh5A1 GLN 187 HG2 -0.18 -0.05 0.01 -0.04 2.40 2.14 3gh5A1 GLN 187 HG3 -0.10 0.15 0.05 -0.04 2.39 2.45 3gh5A1 GLN 187 HE21 -0.05 -0.05 -0.10 -0.04 6.97 6.73 3gh5A1 GLN 187 HE22 -0.05 -0.02 -0.13 -0.04 7.69 7.45 3gh5A1 TYR 188 H 0.02 0.47 -0.41 -0.55 8.29 7.81 3gh5A1 TYR 188 HA -0.10 0.33 0.88 -0.75 4.56 4.92 3gh5A1 TYR 188 HB2 0.06 -0.01 0.06 -0.04 3.06 3.13 3gh5A1 TYR 188 HB3 0.02 -0.09 0.10 -0.04 2.98 2.96 3gh5A1 TYR 188 HD2 0.05 0.16 -0.07 -0.04 7.15 7.24 3gh5A1 TYR 188 HE2 -0.06 -0.03 -0.06 -0.04 6.85 6.66 3gh5A1 LYS 189 H -0.08 0.46 -0.28 -0.55 8.42 7.97 3gh5A1 LYS 189 HA -0.01 0.13 0.27 -0.75 4.32 3.95 3gh5A1 LYS 189 HB2 -0.29 0.12 -0.08 -0.04 1.87 1.58 3gh5A1 LYS 189 HB3 -0.18 -0.09 0.12 -0.04 1.79 1.60 3gh5A1 LYS 189 HG2 -0.38 0.04 -0.00 -0.04 1.46 1.08 3gh5A1 LYS 189 HG3 -0.43 0.06 -0.29 -0.04 1.46 0.76 3gh5A1 LYS 189 HD2 -1.75 -0.01 -0.15 -0.04 1.69 -0.26 3gh5A1 LYS 189 HD3 -1.94 -0.07 -0.10 -0.04 1.68 -0.47 3gh5A1 LYS 189 HE2 -0.42 -0.12 -0.18 -0.04 2.99 2.22 3gh5A1 LYS 189 HE3 -0.46 0.24 -0.08 -0.04 2.99 2.65 3gh5A1 ILE 190 H 0.11 0.21 -0.40 -0.55 8.25 7.62 3gh5A1 ILE 190 HA 0.10 0.07 0.64 -0.75 4.18 4.23 3gh5A1 ILE 190 HB 0.11 0.02 -0.19 -0.04 1.89 1.78 3gh5A1 ILE 190 HG12 0.14 0.12 -0.08 -0.04 1.49 1.63 3gh5A1 ILE 190 HG13 0.11 -0.12 -0.07 -0.04 1.21 1.09 3gh5A1 ILE 190 HG23 0.08 -0.03 -0.09 -0.04 0.93 0.85 3gh5A1 ILE 190 HD13 0.10 -0.01 -0.17 -0.04 0.88 0.76 3gh5A1 ASN 191 H 0.01 0.42 0.36 -0.55 8.53 8.77 3gh5A1 ASN 191 HA 0.05 0.30 0.91 -0.75 4.76 5.27 3gh5A1 ASN 191 HB2 0.06 0.05 0.26 -0.04 2.88 3.21 3gh5A1 ASN 191 HB3 0.13 0.13 -0.07 -0.04 2.79 2.93 3gh5A1 ASN 191 HD21 0.00 0.54 0.20 -0.04 7.03 7.73 3gh5A1 ASN 191 HD22 0.07 -0.08 0.10 -0.04 7.74 7.79 3gh5A1 LYS 192 H -0.06 0.31 0.18 -0.55 8.42 8.29 3gh5A1 LYS 192 HA -0.06 0.25 0.87 -0.75 4.32 4.63 3gh5A1 LYS 192 HB2 -0.55 -0.15 -0.14 -0.04 1.87 0.99 3gh5A1 LYS 192 HB3 -0.36 -0.01 -0.09 -0.04 1.79 1.28 3gh5A1 LYS 192 HG2 -0.54 -0.05 -0.42 -0.04 1.46 0.40 3gh5A1 LYS 192 HG3 -2.24 -0.10 -0.17 -0.04 1.46 -1.10 3gh5A1 LYS 192 HD2 -0.20 -0.08 -0.07 -0.04 1.69 1.30 3gh5A1 LYS 192 HD3 -0.15 0.22 0.09 -0.04 1.68 1.80 3gh5A1 LYS 192 HE2 -0.18 0.15 -0.01 -0.04 2.99 2.92 3gh5A1 LYS 192 HE3 -0.16 -0.10 -0.09 -0.04 2.99 2.60 3gh5A1 PHE 193 H 0.14 0.77 0.23 -0.55 8.34 8.93 3gh5A1 PHE 193 HA 0.02 0.29 0.99 -0.75 4.62 5.16 3gh5A1 PHE 193 HB2 -0.01 0.07 -0.19 -0.04 3.15 2.98 3gh5A1 PHE 193 HB3 -0.01 -0.03 0.03 -0.04 3.06 3.01 3gh5A1 PHE 193 HD2 -0.02 0.03 -0.09 -0.04 7.28 7.15 3gh5A1 PHE 193 HE2 -0.05 -0.05 -0.18 -0.04 7.38 7.06 3gh5A1 PHE 193 HZ -0.03 -0.06 -0.11 -0.04 7.32 7.07 3gh5A1 HIS 194 H -0.16 0.69 0.27 -0.55 8.41 8.66 3gh5A1 HIS 194 HA -0.13 0.30 0.78 -0.75 4.63 4.83 3gh5A1 HIS 194 HB2 -0.01 0.01 -0.12 -0.04 3.26 3.10 3gh5A1 HIS 194 HB3 -0.14 -0.00 -0.03 -0.04 3.20 2.99 3gh5A1 HIS 194 HD2 -0.17 0.20 -0.37 -0.04 6.97 6.58 3gh5A1 HIS 194 HE1 -0.73 -0.07 -0.19 -0.04 7.75 6.72 3gh5A1 MET 195 H 0.02 0.56 0.22 -0.55 8.47 8.72 3gh5A1 MET 195 HA -0.34 0.19 0.91 -0.75 4.52 4.52 3gh5A1 MET 195 HB2 0.09 -0.04 0.12 -0.04 2.15 2.28 3gh5A1 MET 195 HB3 0.05 -0.01 -0.07 -0.04 2.03 1.96 3gh5A1 MET 195 HG2 -0.36 0.03 -0.17 -0.04 2.63 2.09 3gh5A1 MET 195 HG3 -0.05 0.07 -0.19 -0.04 2.56 2.34 3gh5A1 MET 195 HE3 0.04 -0.01 -0.09 -0.04 2.10 2.00 3gh5A1 HIS 196 H -0.14 0.66 0.21 -0.55 8.41 8.59 3gh5A1 HIS 196 HA -0.05 0.09 0.76 -0.75 4.63 4.67 3gh5A1 HIS 196 HB2 -0.41 0.04 -0.05 -0.04 3.26 2.80 3gh5A1 HIS 196 HB3 -0.18 -0.11 0.25 -0.04 3.20 3.11 3gh5A1 HIS 196 HD2 0.12 -0.18 -0.05 -0.04 6.97 6.81 3gh5A1 HIS 196 HE1 0.21 -0.07 0.00 -0.04 7.75 7.85 3gh5A1 LEU 197 H -0.21 0.55 0.30 -0.55 8.37 8.46 3gh5A1 LEU 197 HA 0.01 0.09 0.27 -0.75 4.35 3.97 3gh5A1 LEU 197 HB2 -0.25 0.24 0.10 -0.04 1.64 1.68 3gh5A1 LEU 197 HB3 -0.21 -0.12 0.03 -0.04 1.64 1.31 3gh5A1 LEU 197 HG 0.02 0.01 -0.15 -0.04 1.64 1.49 3gh5A1 LEU 197 HD13 -0.10 0.00 -0.04 -0.04 0.93 0.75 3gh5A1 LEU 197 HD23 0.26 0.01 -0.13 -0.04 0.89 0.99 3gh5A1 SER 198 H -0.45 0.16 -0.05 -0.55 8.46 7.58 3gh5A1 SER 198 HA -0.21 0.32 0.94 -0.75 4.49 4.78 3gh5A1 SER 198 HB2 -0.36 0.04 0.14 -0.04 3.95 3.73 3gh5A1 SER 198 HB3 -1.26 0.01 -0.11 -0.04 3.93 2.53 3gh5A1 ASP 199 H 0.07 0.70 0.29 -0.55 8.40 8.92 3gh5A1 ASP 199 HA 0.15 0.37 0.53 -0.75 4.63 4.93 3gh5A1 ASP 199 HB2 0.27 0.05 -0.30 -0.04 2.71 2.69 3gh5A1 ASP 199 HB3 0.18 -0.09 0.01 -0.04 2.70 2.76 3gh5A1 ASP 200 H 0.16 0.16 0.10 -0.55 8.40 8.27 3gh5A1 ASP 200 HA 0.08 -0.20 0.34 -0.75 4.63 4.09 3gh5A1 ASP 200 HB2 0.09 0.13 0.08 -0.04 2.71 2.96 3gh5A1 ASP 200 HB3 0.15 0.09 -0.01 -0.04 2.70 2.89 3gh5A1 GLN 201 H 0.10 -0.02 -0.21 -0.55 8.47 7.80 3gh5A1 GLN 201 HA 0.07 0.26 0.44 -0.75 4.36 4.37 3gh5A1 GLN 201 HB2 0.04 -0.01 -0.07 -0.04 2.15 2.07 3gh5A1 GLN 201 HB3 0.01 0.05 -0.05 -0.04 2.02 2.00 3gh5A1 GLN 201 HG2 0.02 0.13 -0.13 -0.04 2.40 2.37 3gh5A1 GLN 201 HG3 0.06 -0.05 -0.28 -0.04 2.39 2.08 3gh5A1 GLN 201 HE21 0.05 -0.10 -0.02 -0.04 6.97 6.86 3gh5A1 GLN 201 HE22 0.04 0.57 0.11 -0.04 7.69 8.36 3gh5A1 GLY 202 H 0.12 -0.06 -0.35 -0.55 8.43 7.60 3gh5A1 GLY 202 HA2 0.12 0.36 0.54 -0.51 4.01 4.52 3gh5A1 GLY 202 HA3 0.10 0.24 0.30 -0.51 4.01 4.14 3gh5A1 TRP 203 H 0.25 0.67 0.15 -0.55 7.97 8.50 3gh5A1 TRP 203 HA 0.06 0.04 0.94 -0.75 4.62 4.90 3gh5A1 TRP 203 HB2 0.05 -0.11 -0.06 -0.04 3.23 3.07 3gh5A1 TRP 203 HB3 0.03 0.21 -0.02 -0.04 3.23 3.41 3gh5A1 TRP 203 HD1 0.04 0.01 -0.51 -0.04 7.22 6.72 3gh5A1 TRP 203 HE1 0.03 0.41 0.01 -0.04 10.20 10.61 3gh5A1 TRP 203 HE3 0.08 -0.07 -0.02 -0.04 7.59 7.53 3gh5A1 TRP 203 HZ2 -0.10 0.02 -0.05 -0.04 7.44 7.28 3gh5A1 TRP 203 HZ3 0.14 0.01 -0.04 -0.04 7.13 7.20 3gh5A1 TRP 203 HH2 -0.08 0.02 -0.06 -0.04 7.19 7.03 3gh5A1 ARG 204 H -0.39 0.43 0.28 -0.55 8.46 8.23 3gh5A1 ARG 204 HA 0.12 0.32 0.87 -0.75 4.34 4.90 3gh5A1 ARG 204 HB2 0.10 -0.01 0.05 -0.04 1.90 2.01 3gh5A1 ARG 204 HB3 0.10 -0.12 0.10 -0.04 1.80 1.83 3gh5A1 ARG 204 HG2 0.07 -0.06 -0.37 -0.04 1.67 1.27 3gh5A1 ARG 204 HG3 0.22 0.03 -0.39 -0.04 1.67 1.49 3gh5A1 ARG 204 HD2 0.11 -0.08 -0.16 -0.04 3.22 3.05 3gh5A1 ARG 204 HD3 0.06 0.14 -0.30 -0.04 3.22 3.08 3gh5A1 ILE 205 H -0.07 0.13 -0.03 -0.55 8.25 7.73 3gh5A1 ILE 205 HA 0.29 0.28 1.13 -0.75 4.18 5.13 3gh5A1 ILE 205 HB -0.00 -0.01 -0.09 -0.04 1.89 1.75 3gh5A1 ILE 205 HG12 -0.19 0.00 -0.09 -0.04 1.49 1.17 3gh5A1 ILE 205 HG13 0.09 0.17 -0.28 -0.04 1.21 1.15 3gh5A1 ILE 205 HG23 -0.13 -0.02 -0.05 -0.04 0.93 0.69 3gh5A1 ILE 205 HD13 0.05 0.02 -0.02 -0.04 0.88 0.88 3gh5A1 GLU 206 H 0.35 0.56 0.17 -0.55 8.60 9.14 3gh5A1 GLU 206 HA 0.21 -0.00 0.40 -0.75 4.29 4.14 3gh5A1 GLU 206 HB2 0.39 0.05 0.11 -0.04 2.09 2.59 3gh5A1 GLU 206 HB3 0.24 -0.14 0.20 -0.04 1.99 2.25 3gh5A1 GLU 206 HG2 0.14 -0.02 -0.39 -0.04 2.34 2.03 3gh5A1 GLU 206 HG3 0.14 0.06 -0.08 -0.04 2.34 2.42 3gh5A1 ILE 207 H 0.15 0.19 0.06 -0.55 8.25 8.11 3gh5A1 ILE 207 HA 0.12 0.18 0.72 -0.75 4.18 4.44 3gh5A1 ILE 207 HB 0.09 0.02 0.13 -0.04 1.89 2.08 3gh5A1 ILE 207 HG12 0.45 0.21 -0.25 -0.04 1.49 1.87 3gh5A1 ILE 207 HG13 0.24 -0.03 -0.04 -0.04 1.21 1.34 3gh5A1 ILE 207 HG23 0.07 -0.04 -0.13 -0.04 0.93 0.79 3gh5A1 ILE 207 HD13 0.11 0.08 -0.05 -0.04 0.88 0.99 3gh5A1 LYS 208 H 0.09 0.25 0.00 -0.55 8.42 8.20 3gh5A1 LYS 208 HA 0.07 0.06 0.23 -0.75 4.32 3.92 3gh5A1 LYS 208 HB2 0.05 0.04 0.06 -0.04 1.87 1.98 3gh5A1 LYS 208 HB3 0.04 0.05 0.04 -0.04 1.79 1.88 3gh5A1 LYS 208 HG2 0.08 -0.03 -0.02 -0.04 1.46 1.45 3gh5A1 LYS 208 HG3 0.08 0.01 0.02 -0.04 1.46 1.53 3gh5A1 LYS 208 HD2 0.05 0.07 0.01 -0.04 1.69 1.78 3gh5A1 LYS 208 HD3 0.05 0.03 0.00 -0.04 1.68 1.72 3gh5A1 LYS 208 HE2 0.07 -0.03 0.01 -0.04 2.99 2.99 3gh5A1 LYS 208 HE3 0.08 -0.04 0.01 -0.04 2.99 3.00 3gh5A1 SER 209 H 0.10 0.07 -0.25 -0.55 8.46 7.84 3gh5A1 SER 209 HA -0.05 0.14 0.51 -0.75 4.49 4.33 3gh5A1 SER 209 HB2 -0.04 0.02 0.06 -0.04 3.95 3.95 3gh5A1 SER 209 HB3 0.03 0.02 0.05 -0.04 3.93 3.99 3gh5A1 TRP 210 H 0.22 0.28 -0.51 -0.55 7.97 7.42 3gh5A1 TRP 210 HA -0.06 0.18 0.73 -0.75 4.62 4.72 3gh5A1 TRP 210 HB2 -0.14 -0.01 0.10 -0.04 3.23 3.14 3gh5A1 TRP 210 HB3 -0.23 -0.07 0.12 -0.04 3.23 3.01 3gh5A1 TRP 210 HD1 -0.14 -0.12 -0.34 -0.04 7.22 6.57 3gh5A1 TRP 210 HE1 -0.09 0.03 -0.09 -0.04 10.20 10.00 3gh5A1 TRP 210 HE3 -2.00 -0.04 -0.02 -0.04 7.59 5.48 3gh5A1 TRP 210 HZ2 0.01 -0.01 -0.13 -0.04 7.44 7.27 3gh5A1 TRP 210 HZ3 -0.56 -0.06 -0.06 -0.04 7.13 6.41 3gh5A1 TRP 210 HH2 -0.10 -0.02 -0.06 -0.04 7.19 6.98 3gh5A1 PRO 211 HA 0.06 0.07 0.29 -0.51 4.44 4.36 3gh5A1 PRO 211 HB2 0.01 0.00 0.00 -0.04 2.28 2.25 3gh5A1 PRO 211 HB3 0.03 0.07 0.11 -0.04 2.02 2.19 3gh5A1 PRO 211 HG2 0.05 -0.01 0.04 -0.04 2.03 2.07 3gh5A1 PRO 211 HG3 0.01 0.09 0.05 -0.04 2.03 2.14 3gh5A1 PRO 211 HD2 0.03 0.13 -0.02 -0.04 3.68 3.78 3gh5A1 PRO 211 HD3 0.01 0.37 -0.19 -0.04 3.65 3.80 3gh5A1 ASP 212 H 0.27 0.18 -0.30 -0.55 8.40 8.00 3gh5A1 ASP 212 HA -0.08 0.02 0.57 -0.75 4.63 4.38 3gh5A1 ASP 212 HB2 -0.78 0.03 0.02 -0.04 2.71 1.94 3gh5A1 ASP 212 HB3 -0.37 0.10 0.12 -0.04 2.70 2.51 3gh5A1 LEU 213 H 0.16 0.49 -0.22 -0.55 8.37 8.25 3gh5A1 LEU 213 HA -0.22 0.06 0.52 -0.75 4.35 3.95 3gh5A1 LEU 213 HB2 -0.30 0.06 0.10 -0.04 1.64 1.46 3gh5A1 LEU 213 HB3 -1.49 -0.00 -0.02 -0.04 1.64 0.09 3gh5A1 LEU 213 HG 0.06 -0.00 0.08 -0.04 1.64 1.74 3gh5A1 LEU 213 HD13 -0.73 0.00 0.03 -0.04 0.93 0.19 3gh5A1 LEU 213 HD23 -0.71 -0.01 0.02 -0.04 0.89 0.15 3gh5A1 ILE 214 H -0.08 0.25 -0.24 -0.55 8.25 7.63 3gh5A1 ILE 214 HA -0.10 0.23 0.67 -0.75 4.18 4.21 3gh5A1 ILE 214 HB -0.23 0.07 0.09 -0.04 1.89 1.78 3gh5A1 ILE 214 HG12 -0.00 -0.10 -0.13 -0.04 1.49 1.22 3gh5A1 ILE 214 HG13 -0.31 -0.07 -0.17 -0.04 1.21 0.62 3gh5A1 ILE 214 HG23 -0.99 0.01 -0.24 -0.04 0.93 -0.33 3gh5A1 ILE 214 HD13 0.16 0.02 -0.53 -0.04 0.88 0.49 3gh5A1 GLU 215 H -0.10 0.41 0.17 -0.55 8.60 8.54 3gh5A1 GLU 215 HA -0.11 0.07 0.27 -0.75 4.29 3.77 3gh5A1 GLU 215 HB2 -0.08 -0.09 0.08 -0.04 2.09 1.95 3gh5A1 GLU 215 HB3 -0.07 0.03 0.03 -0.04 1.99 1.94 3gh5A1 GLU 215 HG2 -0.07 0.10 0.03 -0.04 2.34 2.36 3gh5A1 GLU 215 HG3 -0.05 -0.03 -0.03 -0.04 2.34 2.20 3gh5A1 ILE 216 H -0.10 0.34 -0.27 -0.55 8.25 7.68 3gh5A1 ILE 216 HA -0.06 0.19 0.96 -0.75 4.18 4.51 3gh5A1 ILE 216 HB -0.13 0.06 0.15 -0.04 1.89 1.93 3gh5A1 ILE 216 HG12 -0.09 0.03 -0.04 -0.04 1.49 1.35 3gh5A1 ILE 216 HG13 -0.13 -0.17 -0.14 -0.04 1.21 0.73 3gh5A1 ILE 216 HG23 -0.07 0.03 -0.12 -0.04 0.93 0.73 3gh5A1 ILE 216 HD13 -0.17 0.03 0.07 -0.04 0.88 0.77 3gh5A1 GLY 217 H -0.06 0.30 -0.03 -0.55 8.43 8.09 3gh5A1 GLY 217 HA2 0.03 0.01 0.18 -0.51 4.01 3.73 3gh5A1 GLY 217 HA3 0.05 0.03 0.37 -0.51 4.01 3.95 3gh5A1 SER 218 H -0.02 0.23 -0.32 -0.55 8.46 7.81 3gh5A1 SER 218 HA 0.07 0.06 0.98 -0.75 4.49 4.86 3gh5A1 SER 218 HB2 0.00 0.20 0.17 -0.04 3.95 4.28 3gh5A1 SER 218 HB3 0.02 -0.07 0.17 -0.04 3.93 4.01 3gh5A1 LYS 219 H -0.01 0.35 -0.20 -0.55 8.42 8.00 3gh5A1 LYS 219 HA -0.03 0.18 0.32 -0.75 4.32 4.03 3gh5A1 LYS 219 HB2 -0.02 0.05 0.10 -0.04 1.87 1.96 3gh5A1 LYS 219 HB3 -0.02 -0.07 0.19 -0.04 1.79 1.84 3gh5A1 LYS 219 HG2 -0.05 -0.01 -0.17 -0.04 1.46 1.18 3gh5A1 LYS 219 HG3 -0.04 0.03 0.08 -0.04 1.46 1.48 3gh5A1 LYS 219 HD2 -0.02 -0.07 0.02 -0.04 1.69 1.58 3gh5A1 LYS 219 HD3 -0.03 0.05 -0.13 -0.04 1.68 1.52 3gh5A1 LYS 219 HE2 -0.03 -0.11 -0.07 -0.04 2.99 2.75 3gh5A1 LYS 219 HE3 -0.09 0.10 -0.10 -0.04 2.99 2.85 3gh5A1 GLY 220 H 0.01 0.15 -0.43 -0.55 8.43 7.61 3gh5A1 GLY 220 HA2 0.00 0.43 0.66 -0.51 4.01 4.59 3gh5A1 GLY 220 HA3 0.00 -0.11 0.27 -0.51 4.01 3.66 3gh5A1 GLN 221 H -0.01 0.23 0.16 -0.55 8.47 8.31 3gh5A1 GLN 221 HA -0.02 0.16 0.32 -0.75 4.36 4.07 3gh5A1 GLN 221 HB2 -0.15 0.21 0.07 -0.04 2.15 2.24 3gh5A1 GLN 221 HB3 0.00 0.09 -0.08 -0.04 2.02 1.99 3gh5A1 GLN 221 HG2 0.01 -0.14 -0.50 -0.04 2.40 1.73 3gh5A1 GLN 221 HG3 -0.06 0.34 -0.28 -0.04 2.39 2.35 3gh5A1 GLN 221 HE21 0.15 -0.04 -0.01 -0.04 6.97 7.03 3gh5A1 GLN 221 HE22 0.16 0.17 -0.10 -0.04 7.69 7.88 3gh5A1 VAL 222 H -0.25 0.57 0.29 -0.55 8.24 8.30 3gh5A1 VAL 222 HA -0.06 0.01 0.60 -0.75 4.13 3.93 3gh5A1 VAL 222 HB -0.53 0.14 0.14 -0.04 2.12 1.82 3gh5A1 VAL 222 HG13 0.03 0.02 -0.08 -0.04 0.97 0.90 3gh5A1 VAL 222 HG23 -0.05 -0.02 0.05 -0.04 0.95 0.89 3gh5A1 GLY 223 H -0.00 0.54 0.43 -0.55 8.43 8.85 3gh5A1 GLY 223 HA2 0.03 -0.09 0.40 -0.51 4.01 3.84 3gh5A1 GLY 223 HA3 0.08 0.11 0.50 -0.51 4.01 4.19 3gh5A1 GLY 224 H 0.00 0.35 -0.21 -0.55 8.43 8.02 3gh5A1 GLY 224 HA2 0.01 0.00 0.38 -0.51 4.01 3.89 3gh5A1 GLY 224 HA3 0.01 -0.00 0.47 -0.51 4.01 3.98 3gh5A1 GLY 225 H 0.01 0.12 0.19 -0.55 8.43 8.20 3gh5A1 GLY 225 HA2 0.02 -0.02 0.36 -0.51 4.01 3.86 3gh5A1 GLY 225 HA3 0.04 0.24 0.82 -0.51 4.01 4.60 3gh5A1 PRO 226 HA 0.00 0.14 -0.00 -0.51 4.44 4.07 3gh5A1 PRO 226 HB2 0.00 0.06 -0.10 -0.04 2.28 2.21 3gh5A1 PRO 226 HB3 0.01 -0.05 0.05 -0.04 2.02 1.99 3gh5A1 PRO 226 HG2 0.03 0.11 0.06 -0.04 2.03 2.20 3gh5A1 PRO 226 HG3 0.03 -0.02 0.07 -0.04 2.03 2.06 3gh5A1 PRO 226 HD2 0.04 0.13 0.08 -0.04 3.68 3.89 3gh5A1 PRO 226 HD3 0.03 0.07 0.22 -0.04 3.65 3.92 3gh5A1 GLY 227 H 0.02 0.01 -0.22 -0.55 8.43 7.70 3gh5A1 GLY 227 HA2 0.02 -0.07 0.16 -0.51 4.01 3.61 3gh5A1 GLY 227 HA3 -0.04 0.36 0.57 -0.51 4.01 4.40 3gh5A1 GLY 228 H -0.19 0.71 0.36 -0.55 8.43 8.77 3gh5A1 GLY 228 HA2 -0.32 -0.03 0.30 -0.51 4.01 3.44 3gh5A1 GLY 228 HA3 -1.23 0.04 0.57 -0.51 4.01 2.88 3gh5A1 TYR 229 H -0.73 0.23 0.20 -0.55 8.29 7.43 3gh5A1 TYR 229 HA -0.44 0.15 0.52 -0.75 4.56 4.04 3gh5A1 TYR 229 HB2 -0.01 -0.04 -0.09 -0.04 3.06 2.88 3gh5A1 TYR 229 HB3 -0.13 0.23 -0.22 -0.04 2.98 2.82 3gh5A1 TYR 229 HD2 -0.03 0.05 -0.33 -0.04 7.15 6.80 3gh5A1 TYR 229 HE2 0.02 -0.04 -0.13 -0.04 6.85 6.66 3gh5A1 TYR 230 H 0.08 0.88 0.31 -0.55 8.29 9.01 3gh5A1 TYR 230 HA -0.03 0.07 0.98 -0.75 4.56 4.83 3gh5A1 TYR 230 HB2 0.22 0.02 0.18 -0.04 3.06 3.44 3gh5A1 TYR 230 HB3 0.18 -0.07 0.05 -0.04 2.98 3.10 3gh5A1 TYR 230 HD2 0.21 -0.02 0.00 -0.04 7.15 7.31 3gh5A1 TYR 230 HE2 0.12 -0.05 -0.11 -0.04 6.85 6.76 3gh5A1 THR 231 H -0.03 0.15 0.14 -0.55 8.28 7.98 3gh5A1 THR 231 HA 0.28 0.12 0.67 -0.75 4.39 4.71 3gh5A1 THR 231 HB 0.14 -0.01 0.18 -0.04 4.32 4.58 3gh5A1 THR 231 HG23 0.05 0.06 0.07 -0.04 1.22 1.35 3gh5A1 GLN 232 H 0.17 0.17 0.18 -0.55 8.47 8.44 3gh5A1 GLN 232 HA 0.19 0.17 0.52 -0.75 4.36 4.48 3gh5A1 GLN 232 HB2 0.11 -0.05 0.13 -0.04 2.15 2.30 3gh5A1 GLN 232 HB3 0.12 0.13 0.07 -0.04 2.02 2.30 3gh5A1 GLN 232 HG2 0.10 0.12 0.06 -0.04 2.40 2.64 3gh5A1 GLN 232 HG3 0.13 -0.15 0.09 -0.04 2.39 2.42 3gh5A1 GLN 232 HE21 0.06 -0.09 0.03 -0.04 6.97 6.93 3gh5A1 GLN 232 HE22 0.09 0.46 0.05 -0.04 7.69 8.25 3gh5A1 GLU 233 H 0.12 0.04 -0.13 -0.55 8.60 8.08 3gh5A1 GLU 233 HA 0.09 0.17 0.44 -0.75 4.29 4.23 3gh5A1 GLU 233 HB2 0.08 -0.08 0.08 -0.04 2.09 2.13 3gh5A1 GLU 233 HB3 0.06 0.08 -0.00 -0.04 1.99 2.08 3gh5A1 GLU 233 HG2 0.08 -0.07 0.05 -0.04 2.34 2.36 3gh5A1 GLU 233 HG3 0.06 0.05 0.03 -0.04 2.34 2.43 3gh5A1 GLN 234 H 0.12 -0.00 -0.25 -0.55 8.47 7.80 3gh5A1 GLN 234 HA 0.05 0.08 0.47 -0.75 4.36 4.21 3gh5A1 GLN 234 HB2 0.20 0.03 0.18 -0.04 2.15 2.52 3gh5A1 GLN 234 HB3 0.16 0.03 0.07 -0.04 2.02 2.24 3gh5A1 GLN 234 HG2 0.07 0.06 0.08 -0.04 2.40 2.56 3gh5A1 GLN 234 HG3 0.07 -0.07 0.08 -0.04 2.39 2.43 3gh5A1 GLN 234 HE21 0.02 0.07 0.09 -0.04 6.97 7.11 3gh5A1 GLN 234 HE22 0.05 0.02 0.07 -0.04 7.69 7.78 3gh5A1 PHE 235 H 0.27 0.51 -0.18 -0.55 8.34 8.38 3gh5A1 PHE 235 HA -0.07 0.00 0.47 -0.75 4.62 4.26 3gh5A1 PHE 235 HB2 0.08 -0.03 0.08 -0.04 3.15 3.24 3gh5A1 PHE 235 HB3 0.07 0.11 0.16 -0.04 3.06 3.36 3gh5A1 PHE 235 HD2 0.00 0.03 -0.08 -0.04 7.28 7.19 3gh5A1 PHE 235 HE2 0.02 0.06 -0.10 -0.04 7.38 7.32 3gh5A1 PHE 235 HZ 0.03 0.04 -0.05 -0.04 7.32 7.30 3gh5A1 LYS 236 H 0.17 0.53 -0.08 -0.55 8.42 8.50 3gh5A1 LYS 236 HA -0.03 0.13 0.51 -0.75 4.32 4.18 3gh5A1 LYS 236 HB2 0.07 0.04 0.20 -0.04 1.87 2.13 3gh5A1 LYS 236 HB3 0.04 -0.04 0.08 -0.04 1.79 1.82 3gh5A1 LYS 236 HG2 0.11 0.10 0.14 -0.04 1.46 1.77 3gh5A1 LYS 236 HG3 0.21 0.05 0.15 -0.04 1.46 1.82 3gh5A1 LYS 236 HD2 0.11 -0.03 -0.03 -0.04 1.69 1.69 3gh5A1 LYS 236 HD3 0.09 -0.12 -0.05 -0.04 1.68 1.56 3gh5A1 LYS 236 HE2 0.05 -0.02 0.02 -0.04 2.99 3.00 3gh5A1 LYS 236 HE3 0.06 0.09 0.03 -0.04 2.99 3.13 3gh5A1 ASP 237 H -0.01 0.36 -0.30 -0.55 8.40 7.90 3gh5A1 ASP 237 HA -0.02 0.02 0.42 -0.75 4.63 4.30 3gh5A1 ASP 237 HB2 0.00 0.03 0.14 -0.04 2.71 2.84 3gh5A1 ASP 237 HB3 -0.03 0.11 0.19 -0.04 2.70 2.92 3gh5A1 ILE 238 H -0.15 0.54 -0.03 -0.55 8.25 8.06 3gh5A1 ILE 238 HA -0.12 -0.00 0.49 -0.75 4.18 3.80 3gh5A1 ILE 238 HB -0.35 0.14 0.19 -0.04 1.89 1.82 3gh5A1 ILE 238 HG12 -0.20 -0.03 0.03 -0.04 1.49 1.25 3gh5A1 ILE 238 HG13 -0.17 0.04 0.08 -0.04 1.21 1.12 3gh5A1 ILE 238 HG23 -0.14 -0.01 -0.17 -0.04 0.93 0.58 3gh5A1 ILE 238 HD13 -0.41 -0.04 -0.04 -0.04 0.88 0.35 3gh5A1 VAL 239 H -0.35 0.61 -0.08 -0.55 8.24 7.87 3gh5A1 VAL 239 HA -0.17 -0.00 0.41 -0.75 4.13 3.61 3gh5A1 VAL 239 HB -0.18 0.13 0.25 -0.04 2.12 2.27 3gh5A1 VAL 239 HG13 -0.06 -0.01 -0.02 -0.04 0.97 0.84 3gh5A1 VAL 239 HG23 -0.58 0.06 0.11 -0.04 0.95 0.49 3gh5A1 SER 240 H -0.08 0.57 -0.13 -0.55 8.46 8.28 3gh5A1 SER 240 HA -0.08 0.01 0.41 -0.75 4.49 4.07 3gh5A1 SER 240 HB2 -0.03 0.04 0.14 -0.04 3.95 4.06 3gh5A1 SER 240 HB3 -0.02 0.07 0.16 -0.04 3.93 4.11 3gh5A1 TYR 241 H 0.04 0.54 -0.14 -0.55 8.29 8.19 3gh5A1 TYR 241 HA -0.11 -0.00 0.38 -0.75 4.56 4.08 3gh5A1 TYR 241 HB2 -0.10 0.02 0.13 -0.04 3.06 3.07 3gh5A1 TYR 241 HB3 -0.13 0.07 0.16 -0.04 2.98 3.04 3gh5A1 TYR 241 HD2 -0.11 -0.01 -0.09 -0.04 7.15 6.91 3gh5A1 TYR 241 HE2 -0.08 0.07 -0.03 -0.04 6.85 6.77 3gh5A1 ALA 242 H -0.02 0.64 -0.09 -0.55 8.40 8.38 3gh5A1 ALA 242 HA -0.14 0.03 0.39 -0.75 4.34 3.87 3gh5A1 ALA 242 HB3 -0.06 0.01 0.00 -0.04 1.41 1.31 3gh5A1 ALA 243 H -0.14 0.54 -0.18 -0.55 8.40 8.07 3gh5A1 ALA 243 HA -0.24 0.01 0.36 -0.75 4.34 3.72 3gh5A1 ALA 243 HB3 -0.17 0.01 0.11 -0.04 1.41 1.33 3gh5A1 GLU 244 H -0.28 0.45 -0.27 -0.55 8.60 7.96 3gh5A1 GLU 244 HA -0.37 -0.03 0.46 -0.75 4.29 3.59 3gh5A1 GLU 244 HB2 -0.37 0.24 0.06 -0.04 2.09 1.97 3gh5A1 GLU 244 HB3 -0.25 -0.05 0.04 -0.04 1.99 1.69 3gh5A1 GLU 244 HG2 -0.16 -0.10 0.03 -0.04 2.34 2.07 3gh5A1 GLU 244 HG3 -0.18 0.20 0.08 -0.04 2.34 2.39 3gh5A1 ARG 245 H -0.41 0.40 -0.49 -0.55 8.46 7.40 3gh5A1 ARG 245 HA -1.38 0.13 0.73 -0.75 4.34 3.07 3gh5A1 ARG 245 HB2 -0.25 0.05 0.05 -0.04 1.90 1.71 3gh5A1 ARG 245 HB3 -0.13 0.03 0.11 -0.04 1.80 1.76 3gh5A1 ARG 245 HG2 0.05 0.02 -0.05 -0.04 1.67 1.66 3gh5A1 ARG 245 HG3 -0.33 -0.07 -0.31 -0.04 1.67 0.93 3gh5A1 ARG 245 HD2 -0.43 0.07 -0.14 -0.04 3.22 2.68 3gh5A1 ARG 245 HD3 -0.11 0.01 -0.18 -0.04 3.22 2.90 3gh5A1 TYR 246 H -0.67 0.40 -0.33 -0.55 8.29 7.14 3gh5A1 TYR 246 HA -0.15 -0.03 0.28 -0.75 4.56 3.90 3gh5A1 TYR 246 HB2 -0.20 0.20 -0.13 -0.04 3.06 2.89 3gh5A1 TYR 246 HB3 -0.06 -0.09 0.19 -0.04 2.98 2.98 3gh5A1 TYR 246 HD2 -0.46 0.02 -0.17 -0.04 7.15 6.50 3gh5A1 TYR 246 HE2 -0.09 -0.04 -0.05 -0.04 6.85 6.63 3gh5A1 ILE 247 H -0.17 0.46 -0.27 -0.55 8.25 7.73 3gh5A1 ILE 247 HA -0.00 0.37 0.78 -0.75 4.18 4.57 3gh5A1 ILE 247 HB -0.08 -0.02 -0.06 -0.04 1.89 1.69 3gh5A1 ILE 247 HG12 0.02 -0.06 -0.23 -0.04 1.49 1.18 3gh5A1 ILE 247 HG13 -0.02 0.26 -0.38 -0.04 1.21 1.03 3gh5A1 ILE 247 HG23 0.04 -0.07 -0.49 -0.04 0.93 0.36 3gh5A1 ILE 247 HD13 -0.00 -0.03 -0.15 -0.04 0.88 0.66 3gh5A1 GLU 248 H 0.01 0.49 0.19 -0.55 8.60 8.74 3gh5A1 GLU 248 HA 0.03 0.06 0.67 -0.75 4.29 4.30 3gh5A1 GLU 248 HB2 0.07 0.06 0.09 -0.04 2.09 2.26 3gh5A1 GLU 248 HB3 0.04 -0.04 0.13 -0.04 1.99 2.09 3gh5A1 GLU 248 HG2 0.13 0.01 -0.33 -0.04 2.34 2.11 3gh5A1 GLU 248 HG3 0.11 0.00 0.02 -0.04 2.34 2.44 3gh5A1 VAL 249 H 0.05 0.18 0.15 -0.55 8.24 8.08 3gh5A1 VAL 249 HA 0.15 0.33 0.96 -0.75 4.13 4.81 3gh5A1 VAL 249 HB 0.01 -0.03 0.15 -0.04 2.12 2.21 3gh5A1 VAL 249 HG13 0.09 -0.01 -0.19 -0.04 0.97 0.81 3gh5A1 VAL 249 HG23 0.06 0.02 -0.14 -0.04 0.95 0.85 3gh5A1 ILE 250 H 0.10 0.55 0.20 -0.55 8.25 8.56 3gh5A1 ILE 250 HA 0.14 0.36 0.94 -0.75 4.18 4.87 3gh5A1 ILE 250 HB 0.04 -0.12 -0.01 -0.04 1.89 1.76 3gh5A1 ILE 250 HG12 0.15 -0.03 -0.21 -0.04 1.49 1.35 3gh5A1 ILE 250 HG13 0.19 0.12 -0.33 -0.04 1.21 1.15 3gh5A1 ILE 250 HG23 0.03 0.02 -0.33 -0.04 0.93 0.61 3gh5A1 ILE 250 HD13 0.17 0.01 -0.30 -0.04 0.88 0.72 3gh5A1 PRO 251 HA 0.11 0.05 0.70 -0.51 4.44 4.79 3gh5A1 PRO 251 HB2 -0.07 -0.01 -0.04 -0.04 2.28 2.11 3gh5A1 PRO 251 HB3 0.11 0.02 0.05 -0.04 2.02 2.16 3gh5A1 PRO 251 HG2 0.03 -0.02 0.11 -0.04 2.03 2.11 3gh5A1 PRO 251 HG3 0.11 0.12 0.05 -0.04 2.03 2.27 3gh5A1 PRO 251 HD2 0.12 0.26 0.32 -0.04 3.68 4.34 3gh5A1 PRO 251 HD3 0.21 0.30 0.14 -0.04 3.65 4.26 3gh5A1 GLU 252 H 0.01 0.59 0.40 -0.55 8.60 9.06 3gh5A1 GLU 252 HA 0.02 0.47 1.08 -0.75 4.29 5.11 3gh5A1 GLU 252 HB2 -0.09 0.01 -0.11 -0.04 2.09 1.86 3gh5A1 GLU 252 HB3 0.04 -0.09 0.17 -0.04 1.99 2.07 3gh5A1 GLU 252 HG2 0.02 -0.03 -0.53 -0.04 2.34 1.76 3gh5A1 GLU 252 HG3 0.07 -0.05 -0.33 -0.04 2.34 1.98 3gh5A1 ILE 253 H -0.01 0.60 0.14 -0.55 8.25 8.42 3gh5A1 ILE 253 HA -0.27 0.05 0.75 -0.75 4.18 3.96 3gh5A1 ILE 253 HB -0.03 0.04 0.10 -0.04 1.89 1.96 3gh5A1 ILE 253 HG12 -0.14 0.01 -0.25 -0.04 1.49 1.07 3gh5A1 ILE 253 HG13 -0.09 0.01 -0.10 -0.04 1.21 0.98 3gh5A1 ILE 253 HG23 -0.01 0.00 -0.16 -0.04 0.93 0.72 3gh5A1 ILE 253 HD13 -0.58 0.02 -0.07 -0.04 0.88 0.20 3gh5A1 ASP 254 H -0.10 0.16 -0.05 -0.55 8.40 7.86 3gh5A1 ASP 254 HA 0.26 -0.03 0.11 -0.75 4.63 4.21 3gh5A1 ASP 254 HB2 0.07 0.01 0.07 -0.04 2.71 2.82 3gh5A1 ASP 254 HB3 0.14 0.15 0.04 -0.04 2.70 2.99 3gh5A1 MET 255 H 0.33 0.39 0.35 -0.55 8.47 8.99 3gh5A1 MET 255 HA 0.14 0.11 0.39 -0.75 4.52 4.41 3gh5A1 MET 255 HB2 0.36 -0.08 0.03 -0.04 2.15 2.41 3gh5A1 MET 255 HB3 0.25 0.09 -0.18 -0.04 2.03 2.15 3gh5A1 MET 255 HG2 0.23 0.24 0.04 -0.04 2.63 3.10 3gh5A1 MET 255 HG3 0.43 -0.04 -0.09 -0.04 2.56 2.82 3gh5A1 MET 255 HE3 0.10 0.05 -0.10 -0.04 2.10 2.10 3gh5A1 PRO 256 HA -0.27 0.11 0.32 -0.51 4.44 4.09 3gh5A1 PRO 256 HB2 -0.45 -0.01 0.04 -0.04 2.28 1.81 3gh5A1 PRO 256 HB3 -1.95 0.07 0.04 -0.04 2.02 0.14 3gh5A1 PRO 256 HG2 -0.00 -0.00 -0.01 -0.04 2.03 1.97 3gh5A1 PRO 256 HG3 -0.23 0.05 0.04 -0.04 2.03 1.84 3gh5A1 PRO 256 HD2 0.32 0.03 0.31 -0.04 3.68 4.30 3gh5A1 PRO 256 HD3 0.22 0.17 0.18 -0.04 3.65 4.17 3gh5A1 GLY 257 H 0.11 0.12 -0.27 -0.55 8.43 7.85 3gh5A1 GLY 257 HA2 -0.08 0.36 0.60 -0.51 4.01 4.38 3gh5A1 GLY 257 HA3 -0.01 0.10 0.18 -0.51 4.01 3.78 3gh5A1 HIS 258 H -0.34 0.09 0.08 -0.55 8.41 7.69 3gh5A1 HIS 258 HA -0.14 -0.10 0.29 -0.75 4.63 3.92 3gh5A1 HIS 258 HB2 0.04 0.18 -0.30 -0.04 3.26 3.14 3gh5A1 HIS 258 HB3 0.05 -0.02 0.23 -0.04 3.20 3.42 3gh5A1 HIS 258 HD2 -0.11 0.28 -0.17 -0.04 6.97 6.93 3gh5A1 HIS 258 HE1 -0.30 0.07 0.04 -0.04 7.75 7.51 3gh5A1 THR 259 H -0.08 0.00 -0.34 -0.55 8.28 7.31 3gh5A1 THR 259 HA 0.15 0.32 0.59 -0.75 4.39 4.69 3gh5A1 THR 259 HB 0.04 -0.06 -0.04 -0.04 4.32 4.22 3gh5A1 THR 259 HG23 0.12 0.08 -0.33 -0.04 1.22 1.05 3gh5A1 ASN 260 H -0.02 -0.02 -0.21 -0.55 8.53 7.74 3gh5A1 ASN 260 HA 0.04 0.05 0.21 -0.75 4.76 4.29 3gh5A1 ASN 260 HB2 0.09 -0.17 0.07 -0.04 2.88 2.84 3gh5A1 ASN 260 HB3 0.11 0.27 0.12 -0.04 2.79 3.25 3gh5A1 ASN 260 HD21 0.06 0.42 -0.08 -0.04 7.03 7.39 3gh5A1 ASN 260 HD22 0.08 0.08 -0.14 -0.04 7.74 7.72 3gh5A1 ALA 261 H 0.14 0.25 -0.22 -0.55 8.40 8.02 3gh5A1 ALA 261 HA 0.09 0.12 0.29 -0.75 4.34 4.09 3gh5A1 ALA 261 HB3 0.24 0.03 -0.17 -0.04 1.41 1.47 3gh5A1 ALA 262 H 0.21 0.16 -0.23 -0.55 8.40 8.00 3gh5A1 ALA 262 HA -0.15 0.03 0.47 -0.75 4.34 3.95 3gh5A1 ALA 262 HB3 -0.09 0.03 0.05 -0.04 1.41 1.36 3gh5A1 LEU 263 H -0.01 0.41 -0.23 -0.55 8.37 8.00 3gh5A1 LEU 263 HA -0.08 0.06 0.28 -0.75 4.35 3.86 3gh5A1 LEU 263 HB2 0.00 0.06 0.02 -0.04 1.64 1.68 3gh5A1 LEU 263 HB3 -0.02 -0.03 -0.02 -0.04 1.64 1.53 3gh5A1 LEU 263 HG -0.05 0.12 -0.13 -0.04 1.64 1.54 3gh5A1 LEU 263 HD13 -0.02 -0.02 -0.17 -0.04 0.93 0.68 3gh5A1 LEU 263 HD23 -0.10 -0.01 -0.11 -0.04 0.89 0.62 3gh5A1 ALA 264 H 0.00 0.52 -0.32 -0.55 8.40 8.06 3gh5A1 ALA 264 HA -0.02 0.10 0.64 -0.75 4.34 4.31 3gh5A1 ALA 264 HB3 0.01 0.00 -0.14 -0.04 1.41 1.24 3gh5A1 SER 265 H -0.04 0.31 -0.46 -0.55 8.46 7.72 3gh5A1 SER 265 HA -0.16 0.12 0.60 -0.75 4.49 4.30 3gh5A1 SER 265 HB2 0.01 0.07 0.07 -0.04 3.95 4.05 3gh5A1 SER 265 HB3 -0.18 -0.19 -0.37 -0.04 3.93 3.16 3gh5A1 TYR 266 H 0.02 0.44 -0.07 -0.55 8.29 8.12 3gh5A1 TYR 266 HA 0.01 0.13 0.88 -0.75 4.56 4.83 3gh5A1 TYR 266 HB2 -0.06 0.08 0.05 -0.04 3.06 3.09 3gh5A1 TYR 266 HB3 0.15 -0.13 -0.05 -0.04 2.98 2.91 3gh5A1 TYR 266 HD2 0.05 0.00 -0.09 -0.04 7.15 7.08 3gh5A1 TYR 266 HE2 0.03 -0.03 -0.08 -0.04 6.85 6.73 3gh5A1 GLY 267 H 0.02 0.22 0.00 -0.55 8.43 8.12 3gh5A1 GLY 267 HA2 0.01 0.20 -0.32 -0.51 4.01 3.38 3gh5A1 GLY 267 HA3 0.01 0.22 -0.00 -0.51 4.01 3.73 3gh5A1 GLU 268 H 0.13 0.05 -0.30 -0.55 8.60 7.93 3gh5A1 GLU 268 HA 0.05 0.14 0.30 -0.75 4.29 4.02 3gh5A1 GLU 268 HB2 0.09 -0.01 0.06 -0.04 2.09 2.18 3gh5A1 GLU 268 HB3 0.08 0.03 0.06 -0.04 1.99 2.12 3gh5A1 GLU 268 HG2 0.23 -0.00 -0.18 -0.04 2.34 2.35 3gh5A1 GLU 268 HG3 0.20 0.01 -0.09 -0.04 2.34 2.42 3gh5A1 LEU 269 H 0.03 0.38 -0.60 -0.55 8.37 7.63 3gh5A1 LEU 269 HA -0.08 0.02 0.58 -0.75 4.35 4.12 3gh5A1 LEU 269 HB2 -0.15 0.23 -0.01 -0.04 1.64 1.68 3gh5A1 LEU 269 HB3 -0.26 -0.10 0.08 -0.04 1.64 1.32 3gh5A1 LEU 269 HG -0.17 -0.06 -0.10 -0.04 1.64 1.26 3gh5A1 LEU 269 HD13 -1.07 0.03 -0.10 -0.04 0.93 -0.26 3gh5A1 LEU 269 HD23 -0.50 -0.01 -0.11 -0.04 0.89 0.22 3gh5A1 ASN 270 H -0.01 0.51 -0.32 -0.55 8.53 8.16 3gh5A1 ASN 270 HA -0.02 0.17 0.80 -0.75 4.76 4.95 3gh5A1 ASN 270 HB2 -0.01 0.13 0.09 -0.04 2.88 3.05 3gh5A1 ASN 270 HB3 -0.01 -0.13 0.06 -0.04 2.79 2.67 3gh5A1 ASN 270 HD21 -0.03 0.20 0.08 -0.04 7.03 7.24 3gh5A1 ASN 270 HD22 -0.01 0.01 -0.01 -0.04 7.74 7.69 3gh5A1 PRO 271 HA 0.01 0.08 0.42 -0.51 4.44 4.44 3gh5A1 PRO 271 HB2 0.00 0.01 0.05 -0.04 2.28 2.31 3gh5A1 PRO 271 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 3gh5A1 PRO 271 HG2 -0.00 0.05 0.09 -0.04 2.03 2.13 3gh5A1 PRO 271 HG3 0.00 0.01 0.08 -0.04 2.03 2.08 3gh5A1 PRO 271 HD2 -0.01 0.09 0.21 -0.04 3.68 3.93 3gh5A1 PRO 271 HD3 -0.01 0.20 0.23 -0.04 3.65 4.03 3gh5A1 ASP 272 H -0.00 0.11 -0.17 -0.55 8.40 7.79 3gh5A1 ASP 272 HA 0.00 0.19 0.64 -0.75 4.63 4.71 3gh5A1 ASP 272 HB2 -0.00 0.03 0.13 -0.04 2.71 2.83 3gh5A1 ASP 272 HB3 -0.00 -0.01 0.05 -0.04 2.70 2.69 3gh5A1 GLY 273 H 0.00 0.41 -0.53 -0.55 8.43 7.76 3gh5A1 GLY 273 HA2 0.01 0.13 0.13 -0.51 4.01 3.77 3gh5A1 GLY 273 HA3 0.01 0.03 0.31 -0.51 4.01 3.84 3gh5A1 LYS 274 H -0.00 -0.02 -0.46 -0.55 8.42 7.38 3gh5A1 LYS 274 HA -0.01 0.10 0.76 -0.75 4.32 4.42 3gh5A1 LYS 274 HB2 -0.01 -0.07 -0.08 -0.04 1.87 1.67 3gh5A1 LYS 274 HB3 -0.01 0.08 -0.03 -0.04 1.79 1.79 3gh5A1 LYS 274 HG2 -0.01 0.00 -0.07 -0.04 1.46 1.34 3gh5A1 LYS 274 HG3 -0.01 0.16 -0.20 -0.04 1.46 1.38 3gh5A1 LYS 274 HD2 -0.01 -0.05 -0.05 -0.04 1.69 1.54 3gh5A1 LYS 274 HD3 -0.01 0.00 -0.04 -0.04 1.68 1.59 3gh5A1 LYS 274 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3gh5A1 LYS 274 HE3 -0.01 0.07 -0.01 -0.04 2.99 3.01 3gh5A1 ARG 275 H -0.02 0.08 0.08 -0.55 8.46 8.05 3gh5A1 ARG 275 HA -0.02 0.18 0.37 -0.75 4.34 4.11 3gh5A1 ARG 275 HB2 -0.04 -0.09 0.02 -0.04 1.90 1.74 3gh5A1 ARG 275 HB3 -0.04 0.33 -0.07 -0.04 1.80 1.98 3gh5A1 ARG 275 HG2 -0.07 -0.09 -0.54 -0.04 1.67 0.93 3gh5A1 ARG 275 HG3 -0.05 -0.17 -0.04 -0.04 1.67 1.37 3gh5A1 ARG 275 HD2 -0.07 -0.07 -0.02 -0.04 3.22 3.02 3gh5A1 ARG 275 HD3 -0.09 0.31 -0.03 -0.04 3.22 3.37 3gh5A1 LYS 276 H -0.01 0.48 0.06 -0.55 8.42 8.40 3gh5A1 LYS 276 HA -0.01 0.00 0.57 -0.75 4.32 4.13 3gh5A1 LYS 276 HB2 0.01 -0.02 -0.31 -0.04 1.87 1.51 3gh5A1 LYS 276 HB3 0.02 0.10 -0.07 -0.04 1.79 1.80 3gh5A1 LYS 276 HG2 -0.00 0.08 -0.06 -0.04 1.46 1.44 3gh5A1 LYS 276 HG3 0.02 -0.10 -0.08 -0.04 1.46 1.25 3gh5A1 LYS 276 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 3gh5A1 LYS 276 HD3 -0.00 0.03 -0.01 -0.04 1.68 1.66 3gh5A1 LYS 276 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.91 3gh5A1 LYS 276 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 3gh5A1 ALA 277 H -0.01 0.03 0.08 -0.55 8.40 7.95 3gh5A1 ALA 277 HA -0.02 0.09 0.56 -0.75 4.34 4.21 3gh5A1 ALA 277 HB3 -0.02 -0.00 0.06 -0.04 1.41 1.40 3gh5A1 MET 278 H -0.01 0.10 0.08 -0.55 8.47 8.10 3gh5A1 MET 278 HA 0.02 0.08 0.41 -0.75 4.52 4.28 3gh5A1 MET 278 HB2 -0.00 -0.05 0.02 -0.04 2.15 2.08 3gh5A1 MET 278 HB3 0.01 0.07 -0.08 -0.04 2.03 1.99 3gh5A1 MET 278 HG2 -0.01 -0.00 -0.02 -0.04 2.63 2.56 3gh5A1 MET 278 HG3 -0.00 0.05 -0.05 -0.04 2.56 2.52 3gh5A1 MET 278 HE3 0.03 0.07 -0.12 -0.04 2.10 2.03 3gh5A1 ARG 279 H 0.04 0.27 0.07 -0.55 8.46 8.30 3gh5A1 ARG 279 HA -0.01 0.12 0.83 -0.75 4.34 4.53 3gh5A1 ARG 279 HB2 0.11 0.04 -0.05 -0.04 1.90 1.95 3gh5A1 ARG 279 HB3 0.04 -0.12 -0.09 -0.04 1.80 1.60 3gh5A1 ARG 279 HG2 0.03 0.20 -0.27 -0.04 1.67 1.58 3gh5A1 ARG 279 HG3 0.12 -0.11 -0.10 -0.04 1.67 1.54 3gh5A1 ARG 279 HD2 -0.08 0.06 -0.04 -0.04 3.22 3.12 3gh5A1 ARG 279 HD3 -0.15 0.03 -0.10 -0.04 3.22 2.96 3gh5A1 THR 280 H -0.01 0.09 0.13 -0.55 8.28 7.94 3gh5A1 THR 280 HA -0.00 0.33 0.86 -0.75 4.39 4.83 3gh5A1 THR 280 HB -0.00 -0.16 0.27 -0.04 4.32 4.39 3gh5A1 THR 280 HG23 -0.00 0.05 -0.15 -0.04 1.22 1.08 3gh5A1 ASP 281 H -0.01 -0.06 0.03 -0.55 8.40 7.82 3gh5A1 ASP 281 HA -0.01 0.21 0.68 -0.75 4.63 4.76 3gh5A1 ASP 281 HB2 -0.03 -0.06 0.20 -0.04 2.71 2.79 3gh5A1 ASP 281 HB3 -0.03 0.07 0.12 -0.04 2.70 2.81 3gh5A1 THR 282 H -0.01 0.10 0.14 -0.55 8.28 7.97 3gh5A1 THR 282 HA 0.01 0.27 0.94 -0.75 4.39 4.86 3gh5A1 THR 282 HB -0.02 -0.05 0.14 -0.04 4.32 4.35 3gh5A1 THR 282 HG23 0.01 0.03 -0.12 -0.04 1.22 1.09 3gh5A1 ALA 283 H 0.00 -0.02 -0.02 -0.55 8.40 7.82 3gh5A1 ALA 283 HA -0.03 0.08 0.46 -0.75 4.34 4.10 3gh5A1 ALA 283 HB3 -0.01 0.02 0.06 -0.04 1.41 1.44 3gh5A1 VAL 284 H -0.05 0.24 0.24 -0.55 8.24 8.12 3gh5A1 VAL 284 HA -0.20 0.11 0.85 -0.75 4.13 4.13 3gh5A1 VAL 284 HB -0.21 -0.07 0.14 -0.04 2.12 1.94 3gh5A1 VAL 284 HG13 -0.12 0.04 -0.10 -0.04 0.97 0.75 3gh5A1 VAL 284 HG23 -0.23 0.01 -0.06 -0.04 0.95 0.62 3gh5A1 GLY 285 H -0.63 0.08 0.20 -0.55 8.43 7.53 3gh5A1 GLY 285 HA2 -0.27 0.32 0.49 -0.51 4.01 4.04 3gh5A1 GLY 285 HA3 -0.15 0.18 0.40 -0.51 4.01 3.93 3gh5A1 TYR 286 H -0.56 0.02 -0.18 -0.55 8.29 7.03 3gh5A1 TYR 286 HA -0.08 0.20 0.26 -0.75 4.56 4.18 3gh5A1 TYR 286 HB2 -0.07 0.06 0.00 -0.04 3.06 3.02 3gh5A1 TYR 286 HB3 -0.08 0.05 -0.07 -0.04 2.98 2.84 3gh5A1 TYR 286 HD2 -0.09 0.06 -0.36 -0.04 7.15 6.72 3gh5A1 TYR 286 HE2 -0.07 0.14 -0.21 -0.04 6.85 6.68 3gh5A1 SER 287 H -0.62 -0.12 -0.07 -0.55 8.46 7.11 3gh5A1 SER 287 HA -0.04 0.29 0.66 -0.75 4.49 4.64 3gh5A1 SER 287 HB2 -0.13 0.11 -0.11 -0.04 3.95 3.77 3gh5A1 SER 287 HB3 -0.31 0.09 -0.02 -0.04 3.93 3.65 3gh5A1 THR 288 H -0.05 0.30 0.14 -0.55 8.28 8.12 3gh5A1 THR 288 HA -0.10 0.24 0.59 -0.75 4.39 4.37 3gh5A1 THR 288 HB -0.06 -0.10 -0.42 -0.04 4.32 3.71 3gh5A1 THR 288 HG23 -0.03 0.03 -0.10 -0.04 1.22 1.08 3gh5A1 LEU 289 H -0.15 0.35 0.18 -0.55 8.37 8.21 3gh5A1 LEU 289 HA -0.10 0.17 0.74 -0.75 4.35 4.42 3gh5A1 LEU 289 HB2 -0.25 -0.06 0.01 -0.04 1.64 1.30 3gh5A1 LEU 289 HB3 -0.08 0.00 0.07 -0.04 1.64 1.59 3gh5A1 LEU 289 HG -0.07 0.08 0.06 -0.04 1.64 1.67 3gh5A1 LEU 289 HD13 0.15 0.00 -0.01 -0.04 0.93 1.03 3gh5A1 LEU 289 HD23 -0.12 0.01 -0.02 -0.04 0.89 0.72 3gh5A1 MET 290 H -0.06 0.21 0.13 -0.55 8.47 8.20 3gh5A1 MET 290 HA -0.00 0.17 0.62 -0.75 4.52 4.56 3gh5A1 MET 290 HB2 -0.01 -0.05 0.19 -0.04 2.15 2.24 3gh5A1 MET 290 HB3 0.03 -0.10 0.02 -0.04 2.03 1.94 3gh5A1 MET 290 HG2 -0.01 0.01 -0.01 -0.04 2.63 2.58 3gh5A1 MET 290 HG3 -0.03 0.30 0.03 -0.04 2.56 2.82 3gh5A1 MET 290 HE3 0.00 0.04 -0.15 -0.04 2.10 1.95 3gh5A1 PRO 291 HA 0.34 0.11 0.24 -0.51 4.44 4.63 3gh5A1 PRO 291 HB2 0.22 -0.01 0.00 -0.04 2.28 2.45 3gh5A1 PRO 291 HB3 0.33 0.07 0.07 -0.04 2.02 2.45 3gh5A1 PRO 291 HG2 0.08 -0.07 0.09 -0.04 2.03 2.09 3gh5A1 PRO 291 HG3 0.03 0.10 0.04 -0.04 2.03 2.16 3gh5A1 PRO 291 HD2 0.06 0.03 0.19 -0.04 3.68 3.91 3gh5A1 PRO 291 HD3 0.01 0.38 0.39 -0.04 3.65 4.39 3gh5A1 ARG 292 H 0.12 0.08 -0.34 -0.55 8.46 7.77 3gh5A1 ARG 292 HA 0.24 0.25 0.83 -0.75 4.34 4.91 3gh5A1 ARG 292 HB2 0.05 0.00 0.03 -0.04 1.90 1.93 3gh5A1 ARG 292 HB3 0.02 0.03 0.15 -0.04 1.80 1.95 3gh5A1 ARG 292 HG2 0.04 -0.12 -0.26 -0.04 1.67 1.30 3gh5A1 ARG 292 HG3 -0.03 0.01 -0.04 -0.04 1.67 1.57 3gh5A1 ARG 292 HD2 -0.23 0.01 -0.02 -0.04 3.22 2.94 3gh5A1 ARG 292 HD3 -0.29 0.14 -0.09 -0.04 3.22 2.94 3gh5A1 ALA 293 H 0.16 0.36 -0.23 -0.55 8.40 8.14 3gh5A1 ALA 293 HA 0.11 0.21 0.94 -0.75 4.34 4.84 3gh5A1 ALA 293 HB3 0.05 0.02 0.05 -0.04 1.41 1.50 3gh5A1 GLU 294 H 0.13 0.24 0.12 -0.55 8.60 8.55 3gh5A1 GLU 294 HA 0.34 0.11 0.36 -0.75 4.29 4.34 3gh5A1 GLU 294 HB2 0.11 0.02 0.11 -0.04 2.09 2.28 3gh5A1 GLU 294 HB3 0.13 0.03 0.03 -0.04 1.99 2.14 3gh5A1 GLU 294 HG2 0.12 0.02 0.03 -0.04 2.34 2.47 3gh5A1 GLU 294 HG3 0.09 0.05 0.02 -0.04 2.34 2.46 3gh5A1 ILE 295 H 0.10 0.12 -0.21 -0.55 8.25 7.72 3gh5A1 ILE 295 HA 0.15 0.07 0.40 -0.75 4.18 4.04 3gh5A1 ILE 295 HB 0.10 0.02 0.07 -0.04 1.89 2.03 3gh5A1 ILE 295 HG12 0.16 0.07 -0.09 -0.04 1.49 1.59 3gh5A1 ILE 295 HG13 0.21 -0.03 -0.14 -0.04 1.21 1.21 3gh5A1 ILE 295 HG23 0.04 0.04 -0.07 -0.04 0.93 0.90 3gh5A1 ILE 295 HD13 0.25 -0.00 0.01 -0.04 0.88 1.10 3gh5A1 THR 296 H 0.01 0.29 -0.36 -0.55 8.28 7.67 3gh5A1 THR 296 HA -0.09 0.03 0.43 -0.75 4.39 4.00 3gh5A1 THR 296 HB -0.41 0.20 0.15 -0.04 4.32 4.22 3gh5A1 THR 296 HG23 -0.17 -0.02 -0.15 -0.04 1.22 0.84 3gh5A1 TYR 297 H -0.01 0.27 -0.17 -0.55 8.29 7.84 3gh5A1 TYR 297 HA -0.01 0.04 0.43 -0.75 4.56 4.27 3gh5A1 TYR 297 HB2 0.03 0.06 0.08 -0.04 3.06 3.18 3gh5A1 TYR 297 HB3 -0.04 0.02 0.02 -0.04 2.98 2.94 3gh5A1 TYR 297 HD2 -0.07 -0.02 -0.08 -0.04 7.15 6.94 3gh5A1 TYR 297 HE2 -0.20 0.05 -0.08 -0.04 6.85 6.59 3gh5A1 GLN 298 H 0.15 0.49 -0.10 -0.55 8.47 8.47 3gh5A1 GLN 298 HA 0.12 0.07 0.55 -0.75 4.36 4.35 3gh5A1 GLN 298 HB2 0.15 0.01 0.06 -0.04 2.15 2.33 3gh5A1 GLN 298 HB3 0.23 0.05 0.11 -0.04 2.02 2.37 3gh5A1 GLN 298 HG2 0.17 -0.01 -0.04 -0.04 2.40 2.49 3gh5A1 GLN 298 HG3 0.31 -0.01 -0.21 -0.04 2.39 2.45 3gh5A1 GLN 298 HE21 0.08 0.02 -0.02 -0.04 6.97 7.02 3gh5A1 GLN 298 HE22 0.09 -0.01 -0.02 -0.04 7.69 7.71 3gh5A1 PHE 299 H 0.15 0.65 -0.11 -0.55 8.34 8.48 3gh5A1 PHE 299 HA -0.62 -0.01 0.43 -0.75 4.62 3.67 3gh5A1 PHE 299 HB2 -0.83 -0.01 0.10 -0.04 3.15 2.37 3gh5A1 PHE 299 HB3 -0.38 0.19 0.22 -0.04 3.06 3.04 3gh5A1 PHE 299 HD2 -2.00 0.03 -0.04 -0.04 7.28 5.24 3gh5A1 PHE 299 HE2 -0.55 -0.00 -0.05 -0.04 7.38 6.74 3gh5A1 PHE 299 HZ -0.75 -0.02 -0.03 -0.04 7.32 6.48 3gh5A1 VAL 300 H -0.03 0.60 -0.08 -0.55 8.24 8.18 3gh5A1 VAL 300 HA -0.34 -0.01 0.33 -0.75 4.13 3.36 3gh5A1 VAL 300 HB -0.04 0.05 0.12 -0.04 2.12 2.20 3gh5A1 VAL 300 HG13 -0.11 -0.00 -0.10 -0.04 0.97 0.71 3gh5A1 VAL 300 HG23 0.09 0.04 0.01 -0.04 0.95 1.05 3gh5A1 GLU 301 H -0.05 0.57 -0.25 -0.55 8.60 8.32 3gh5A1 GLU 301 HA -0.16 0.02 0.37 -0.75 4.29 3.78 3gh5A1 GLU 301 HB2 0.03 0.01 0.10 -0.04 2.09 2.19 3gh5A1 GLU 301 HB3 0.03 0.07 0.17 -0.04 1.99 2.22 3gh5A1 GLU 301 HG2 0.04 -0.02 -0.22 -0.04 2.34 2.10 3gh5A1 GLU 301 HG3 -0.04 -0.02 0.01 -0.04 2.34 2.25 3gh5A1 ASP 302 H -0.08 0.61 -0.14 -0.55 8.40 8.24 3gh5A1 ASP 302 HA -0.03 0.02 0.47 -0.75 4.63 4.33 3gh5A1 ASP 302 HB2 0.01 0.13 0.15 -0.04 2.71 2.95 3gh5A1 ASP 302 HB3 0.24 -0.14 -0.03 -0.04 2.70 2.72 3gh5A1 VAL 303 H -0.43 0.59 -0.13 -0.55 8.24 7.71 3gh5A1 VAL 303 HA -0.15 -0.06 0.42 -0.75 4.13 3.59 3gh5A1 VAL 303 HB -0.37 0.13 0.14 -0.04 2.12 1.98 3gh5A1 VAL 303 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.82 3gh5A1 VAL 303 HG23 -0.85 0.02 -0.00 -0.04 0.95 0.08 3gh5A1 ILE 304 H -0.24 0.74 -0.02 -0.55 8.25 8.18 3gh5A1 ILE 304 HA -0.16 -0.01 0.40 -0.75 4.18 3.66 3gh5A1 ILE 304 HB -0.28 0.05 0.07 -0.04 1.89 1.68 3gh5A1 ILE 304 HG12 -0.11 -0.03 -0.03 -0.04 1.49 1.28 3gh5A1 ILE 304 HG13 -0.15 0.04 0.04 -0.04 1.21 1.10 3gh5A1 ILE 304 HG23 -0.21 0.01 -0.20 -0.04 0.93 0.49 3gh5A1 ILE 304 HD13 -0.11 -0.03 -0.09 -0.04 0.88 0.61 3gh5A1 SER 305 H -0.44 0.71 -0.12 -0.55 8.46 8.06 3gh5A1 SER 305 HA -0.61 0.07 0.41 -0.75 4.49 3.60 3gh5A1 SER 305 HB2 -0.51 0.03 0.11 -0.04 3.95 3.55 3gh5A1 SER 305 HB3 -0.17 0.04 0.17 -0.04 3.93 3.93 3gh5A1 GLU 306 H -0.11 0.47 -0.18 -0.55 8.60 8.23 3gh5A1 GLU 306 HA -0.00 0.03 0.39 -0.75 4.29 3.95 3gh5A1 GLU 306 HB2 -0.02 0.11 0.18 -0.04 2.09 2.32 3gh5A1 GLU 306 HB3 0.02 -0.07 0.06 -0.04 1.99 1.95 3gh5A1 GLU 306 HG2 0.02 0.01 0.02 -0.04 2.34 2.35 3gh5A1 GLU 306 HG3 0.00 0.28 0.11 -0.04 2.34 2.69 3gh5A1 LEU 307 H -0.09 0.61 -0.03 -0.55 8.37 8.31 3gh5A1 LEU 307 HA -0.11 -0.02 0.48 -0.75 4.35 3.94 3gh5A1 LEU 307 HB2 -0.11 -0.02 0.08 -0.04 1.64 1.55 3gh5A1 LEU 307 HB3 -0.10 0.08 0.10 -0.04 1.64 1.68 3gh5A1 LEU 307 HG -0.10 0.10 -0.11 -0.04 1.64 1.48 3gh5A1 LEU 307 HD13 -0.44 -0.03 -0.02 -0.04 0.93 0.40 3gh5A1 LEU 307 HD23 -0.12 -0.03 -0.13 -0.04 0.89 0.56 3gh5A1 ALA 308 H -0.07 0.71 -0.08 -0.55 8.40 8.41 3gh5A1 ALA 308 HA 0.02 0.10 0.39 -0.75 4.34 4.10 3gh5A1 ALA 308 HB3 0.03 0.02 0.10 -0.04 1.41 1.53 3gh5A1 ALA 309 H 0.02 0.33 -0.34 -0.55 8.40 7.86 3gh5A1 ALA 309 HA 0.06 0.04 0.33 -0.75 4.34 4.02 3gh5A1 ALA 309 HB3 0.05 0.00 0.11 -0.04 1.41 1.53 3gh5A1 ILE 310 H 0.05 0.39 -0.46 -0.55 8.25 7.68 3gh5A1 ILE 310 HA 0.11 0.14 0.89 -0.75 4.18 4.56 3gh5A1 ILE 310 HB 0.23 -0.10 0.16 -0.04 1.89 2.14 3gh5A1 ILE 310 HG12 0.00 0.24 0.16 -0.04 1.49 1.85 3gh5A1 ILE 310 HG13 0.06 0.06 -0.14 -0.04 1.21 1.14 3gh5A1 ILE 310 HG23 0.09 -0.03 -0.10 -0.04 0.93 0.85 3gh5A1 ILE 310 HD13 0.00 -0.07 0.02 -0.04 0.88 0.79 3gh5A1 SER 311 H 0.10 0.43 -0.18 -0.55 8.46 8.27 3gh5A1 SER 311 HA 0.28 0.09 0.96 -0.75 4.49 5.06 3gh5A1 SER 311 HB2 0.22 -0.11 -0.03 -0.04 3.95 3.99 3gh5A1 SER 311 HB3 0.10 0.09 0.13 -0.04 3.93 4.21 3gh5A1 PRO 312 HA 0.05 0.16 0.40 -0.51 4.44 4.54 3gh5A1 PRO 312 HB2 0.02 -0.02 -0.02 -0.04 2.28 2.22 3gh5A1 PRO 312 HB3 0.03 -0.00 0.06 -0.04 2.02 2.06 3gh5A1 PRO 312 HG2 0.02 -0.01 0.07 -0.04 2.03 2.07 3gh5A1 PRO 312 HG3 0.01 0.00 0.04 -0.04 2.03 2.04 3gh5A1 PRO 312 HD2 0.08 0.05 0.27 -0.04 3.68 4.05 3gh5A1 PRO 312 HD3 0.07 0.17 -0.00 -0.04 3.65 3.85 3gh5A1 SER 313 H 0.09 0.04 -0.14 -0.55 8.46 7.89 3gh5A1 SER 313 HA 0.08 0.01 0.49 -0.75 4.49 4.31 3gh5A1 SER 313 HB2 0.12 -0.02 0.13 -0.04 3.95 4.14 3gh5A1 SER 313 HB3 0.13 0.14 0.17 -0.04 3.93 4.33 3gh5A1 PRO 314 HA -0.08 0.26 0.62 -0.51 4.44 4.73 3gh5A1 PRO 314 HB2 -0.42 -0.05 0.06 -0.04 2.28 1.83 3gh5A1 PRO 314 HB3 -0.13 0.05 0.17 -0.04 2.02 2.06 3gh5A1 PRO 314 HG2 -0.20 -0.03 0.03 -0.04 2.03 1.79 3gh5A1 PRO 314 HG3 -0.05 0.01 0.08 -0.04 2.03 2.03 3gh5A1 PRO 314 HD2 0.11 0.00 0.22 -0.04 3.68 3.97 3gh5A1 PRO 314 HD3 0.02 0.17 0.22 -0.04 3.65 4.03 3gh5A1 TYR 315 H 0.12 0.02 -0.47 -0.55 8.29 7.41 3gh5A1 TYR 315 HA 0.01 0.31 0.95 -0.75 4.56 5.08 3gh5A1 TYR 315 HB2 0.07 -0.06 -0.08 -0.04 3.06 2.95 3gh5A1 TYR 315 HB3 0.01 -0.06 -0.23 -0.04 2.98 2.66 3gh5A1 TYR 315 HD2 0.06 0.01 -0.25 -0.04 7.15 6.93 3gh5A1 TYR 315 HE2 0.05 0.09 -0.12 -0.04 6.85 6.83 3gh5A1 ILE 316 H 0.10 0.68 0.25 -0.55 8.25 8.73 3gh5A1 ILE 316 HA 0.08 0.20 0.70 -0.75 4.18 4.41 3gh5A1 ILE 316 HB 0.02 0.12 -0.05 -0.04 1.89 1.94 3gh5A1 ILE 316 HG12 0.00 -0.06 -0.28 -0.04 1.49 1.12 3gh5A1 ILE 316 HG13 0.01 0.09 0.06 -0.04 1.21 1.32 3gh5A1 ILE 316 HG23 0.00 -0.01 -0.12 -0.04 0.93 0.75 3gh5A1 ILE 316 HD13 -0.05 -0.02 -0.08 -0.04 0.88 0.69 3gh5A1 HIS 317 H 0.08 0.74 0.21 -0.55 8.41 8.90 3gh5A1 HIS 317 HA -0.08 0.16 0.85 -0.75 4.63 4.81 3gh5A1 HIS 317 HB2 -0.29 0.06 -0.15 -0.04 3.26 2.84 3gh5A1 HIS 317 HB3 -0.15 -0.07 0.04 -0.04 3.20 2.98 3gh5A1 HIS 317 HD2 -0.92 0.07 -0.22 -0.04 6.97 5.86 3gh5A1 HIS 317 HE1 -1.44 -0.14 -0.04 -0.04 7.75 6.09 3gh5A1 LEU 318 H 0.10 0.67 0.30 -0.55 8.37 8.89 3gh5A1 LEU 318 HA 0.14 0.31 0.90 -0.75 4.35 4.94 3gh5A1 LEU 318 HB2 -0.02 0.02 0.02 -0.04 1.64 1.62 3gh5A1 LEU 318 HB3 -0.03 -0.05 0.13 -0.04 1.64 1.65 3gh5A1 LEU 318 HG -0.03 0.05 -0.28 -0.04 1.64 1.33 3gh5A1 LEU 318 HD13 -0.24 -0.01 -0.15 -0.04 0.93 0.49 3gh5A1 LEU 318 HD23 -0.03 0.02 -0.12 -0.04 0.89 0.72 3gh5A1 GLY 319 H 0.68 0.09 -0.11 -0.55 8.43 8.55 3gh5A1 GLY 319 HA2 0.65 -0.03 0.29 -0.51 4.01 4.41 3gh5A1 GLY 319 HA3 0.52 -0.05 0.40 -0.51 4.01 4.36 3gh5A1 GLY 320 H 0.49 0.06 0.27 -0.55 8.43 8.71 3gh5A1 GLY 320 HA2 0.51 0.17 0.40 -0.51 4.01 4.57 3gh5A1 GLY 320 HA3 0.30 0.15 0.74 -0.51 4.01 4.69 3gh5A1 ASP 321 H 0.39 -0.00 -0.06 -0.55 8.40 8.17 3gh5A1 ASP 321 HA 0.29 0.25 0.61 -0.75 4.63 5.03 3gh5A1 ASP 321 HB2 -0.52 0.03 -0.00 -0.04 2.71 2.17 3gh5A1 ASP 321 HB3 -0.61 0.03 -0.01 -0.04 2.70 2.07 3gh5A1 GLU 322 H 0.17 0.23 0.16 -0.55 8.60 8.62 3gh5A1 GLU 322 HA 0.01 0.08 0.33 -0.75 4.29 3.96 3gh5A1 GLU 322 HB2 0.08 0.05 -0.34 -0.04 2.09 1.84 3gh5A1 GLU 322 HB3 -0.11 -0.08 0.17 -0.04 1.99 1.93 3gh5A1 GLU 322 HG2 0.00 0.07 0.03 -0.04 2.34 2.40 3gh5A1 GLU 322 HG3 0.14 -0.01 0.01 -0.04 2.34 2.44 3gh5A1 SER 323 H -0.00 0.18 -0.30 -0.55 8.46 7.79 3gh5A1 SER 323 HA -0.04 0.13 0.76 -0.75 4.49 4.59 3gh5A1 SER 323 HB2 0.09 0.00 0.07 -0.04 3.95 4.06 3gh5A1 SER 323 HB3 0.18 -0.04 -0.08 -0.04 3.93 3.95 3gh5A1 ASN 324 H -0.09 0.45 -0.23 -0.55 8.53 8.11 3gh5A1 ASN 324 HA -0.05 0.08 0.30 -0.75 4.76 4.34 3gh5A1 ASN 324 HB2 -0.07 0.23 0.10 -0.04 2.88 3.10 3gh5A1 ASN 324 HB3 -0.05 -0.00 0.11 -0.04 2.79 2.81 3gh5A1 ASN 324 HD21 -0.08 -0.04 0.00 -0.04 7.03 6.87 3gh5A1 ASN 324 HD22 -0.09 0.06 0.03 -0.04 7.74 7.70 3gh5A1 ALA 325 H -0.06 0.08 -0.40 -0.55 8.40 7.48 3gh5A1 ALA 325 HA -0.02 0.18 0.77 -0.75 4.34 4.52 3gh5A1 ALA 325 HB3 -0.02 -0.00 -0.13 -0.04 1.41 1.22 3gh5A1 THR 326 H -0.01 0.48 -0.31 -0.55 8.28 7.89 3gh5A1 THR 326 HA 0.03 0.13 0.84 -0.75 4.39 4.63 3gh5A1 THR 326 HB 0.10 0.09 0.08 -0.04 4.32 4.54 3gh5A1 THR 326 HG23 0.12 0.01 -0.10 -0.04 1.22 1.21 3gh5A1 SER 327 H 0.05 0.11 0.09 -0.55 8.46 8.17 3gh5A1 SER 327 HA 0.03 0.18 0.45 -0.75 4.49 4.39 3gh5A1 SER 327 HB2 0.04 0.00 0.14 -0.04 3.95 4.09 3gh5A1 SER 327 HB3 0.03 0.14 0.12 -0.04 3.93 4.18 3gh5A1 ALA 328 H 0.03 0.20 0.18 -0.55 8.40 8.27 3gh5A1 ALA 328 HA 0.08 0.13 0.44 -0.75 4.34 4.24 3gh5A1 ALA 328 HB3 0.04 0.03 0.12 -0.04 1.41 1.56 3gh5A1 ALA 329 H 0.07 0.10 -0.11 -0.55 8.40 7.91 3gh5A1 ALA 329 HA 0.11 0.12 0.39 -0.75 4.34 4.21 3gh5A1 ALA 329 HB3 0.05 0.03 0.05 -0.04 1.41 1.50 3gh5A1 ASP 330 H 0.12 0.04 -0.27 -0.55 8.40 7.73 3gh5A1 ASP 330 HA 0.19 0.10 0.42 -0.75 4.63 4.59 3gh5A1 ASP 330 HB2 0.12 -0.02 0.11 -0.04 2.71 2.88 3gh5A1 ASP 330 HB3 0.17 0.04 0.03 -0.04 2.70 2.89 3gh5A1 TYR 331 H 0.29 0.56 -0.26 -0.55 8.29 8.33 3gh5A1 TYR 331 HA 0.24 0.01 0.45 -0.75 4.56 4.51 3gh5A1 TYR 331 HB2 0.09 0.08 0.00 -0.04 3.06 3.19 3gh5A1 TYR 331 HB3 0.11 0.09 0.13 -0.04 2.98 3.27 3gh5A1 TYR 331 HD2 0.10 -0.00 -0.10 -0.04 7.15 7.10 3gh5A1 TYR 331 HE2 0.06 0.01 -0.12 -0.04 6.85 6.76 3gh5A1 ASP 332 H 0.30 0.59 -0.08 -0.55 8.40 8.66 3gh5A1 ASP 332 HA 0.17 -0.01 0.41 -0.75 4.63 4.45 3gh5A1 ASP 332 HB2 0.19 0.08 0.14 -0.04 2.71 3.07 3gh5A1 ASP 332 HB3 0.18 0.12 0.18 -0.04 2.70 3.14 3gh5A1 TYR 333 H 0.31 0.44 -0.21 -0.55 8.29 8.28 3gh5A1 TYR 333 HA 0.05 0.02 0.40 -0.75 4.56 4.28 3gh5A1 TYR 333 HB2 0.08 0.00 0.11 -0.04 3.06 3.21 3gh5A1 TYR 333 HB3 0.14 0.04 0.19 -0.04 2.98 3.31 3gh5A1 TYR 333 HD2 0.12 0.01 -0.03 -0.04 7.15 7.21 3gh5A1 TYR 333 HE2 0.06 0.11 0.02 -0.04 6.85 7.00 3gh5A1 PHE 334 H 0.44 0.70 -0.02 -0.55 8.34 8.92 3gh5A1 PHE 334 HA 0.17 0.03 0.38 -0.75 4.62 4.44 3gh5A1 PHE 334 HB2 0.26 0.00 0.14 -0.04 3.15 3.51 3gh5A1 PHE 334 HB3 0.12 0.03 0.19 -0.04 3.06 3.37 3gh5A1 PHE 334 HD2 0.09 0.05 -0.18 -0.04 7.28 7.20 3gh5A1 PHE 334 HE2 -0.08 0.04 -0.23 -0.04 7.38 7.08 3gh5A1 PHE 334 HZ 0.01 0.03 -0.08 -0.04 7.32 7.23 3gh5A1 PHE 335 H 0.22 0.68 -0.08 -0.55 8.34 8.61 3gh5A1 PHE 335 HA -0.08 0.03 0.36 -0.75 4.62 4.18 3gh5A1 PHE 335 HB2 -0.39 0.07 0.13 -0.04 3.15 2.92 3gh5A1 PHE 335 HB3 -0.14 -0.00 0.03 -0.04 3.06 2.91 3gh5A1 PHE 335 HD2 0.02 0.00 -0.08 -0.04 7.28 7.18 3gh5A1 PHE 335 HE2 0.10 0.10 -0.24 -0.04 7.38 7.29 3gh5A1 PHE 335 HZ 0.05 -0.03 -0.20 -0.04 7.32 7.10 3gh5A1 GLY 336 H 0.02 0.46 -0.20 -0.55 8.43 8.16 3gh5A1 GLY 336 HA2 -0.03 0.02 0.43 -0.51 4.01 3.91 3gh5A1 GLY 336 HA3 -0.07 0.04 0.31 -0.51 4.01 3.78 3gh5A1 ARG 337 H -0.36 0.59 -0.07 -0.55 8.46 8.07 3gh5A1 ARG 337 HA -0.32 0.02 0.46 -0.75 4.34 3.75 3gh5A1 ARG 337 HB2 -0.62 0.11 0.19 -0.04 1.90 1.54 3gh5A1 ARG 337 HB3 -0.72 -0.07 -0.00 -0.04 1.80 0.97 3gh5A1 ARG 337 HG2 -0.53 -0.03 0.03 -0.04 1.67 1.11 3gh5A1 ARG 337 HG3 -1.02 0.12 0.05 -0.04 1.67 0.78 3gh5A1 ARG 337 HD2 -0.69 -0.03 -0.02 -0.04 3.22 2.45 3gh5A1 ARG 337 HD3 -1.32 0.02 -0.03 -0.04 3.22 1.85 3gh5A1 VAL 338 H -0.48 0.57 -0.10 -0.55 8.24 7.69 3gh5A1 VAL 338 HA -0.22 0.02 0.45 -0.75 4.13 3.62 3gh5A1 VAL 338 HB -0.31 -0.02 0.03 -0.04 2.12 1.77 3gh5A1 VAL 338 HG13 -0.69 0.02 -0.03 -0.04 0.97 0.23 3gh5A1 VAL 338 HG23 -0.69 0.04 -0.04 -0.04 0.95 0.22 3gh5A1 THR 339 H -0.31 0.49 -0.27 -0.55 8.28 7.64 3gh5A1 THR 339 HA -0.16 0.00 0.51 -0.75 4.39 3.99 3gh5A1 THR 339 HB -0.09 0.17 0.10 -0.04 4.32 4.46 3gh5A1 THR 339 HG23 -0.02 -0.03 -0.06 -0.04 1.22 1.08 3gh5A1 ALA 340 H -0.14 0.50 -0.13 -0.55 8.40 8.08 3gh5A1 ALA 340 HA -0.06 0.03 0.45 -0.75 4.34 4.00 3gh5A1 ALA 340 HB3 -0.11 0.03 0.11 -0.04 1.41 1.41 3gh5A1 ILE 341 H -0.10 0.39 -0.21 -0.55 8.25 7.78 3gh5A1 ILE 341 HA 0.05 0.01 0.38 -0.75 4.18 3.86 3gh5A1 ILE 341 HB -0.08 0.11 0.13 -0.04 1.89 2.01 3gh5A1 ILE 341 HG12 0.00 -0.04 0.01 -0.04 1.49 1.42 3gh5A1 ILE 341 HG13 -0.08 0.23 0.08 -0.04 1.21 1.40 3gh5A1 ILE 341 HG23 0.02 -0.02 -0.16 -0.04 0.93 0.73 3gh5A1 ILE 341 HD13 0.01 -0.04 -0.04 -0.04 0.88 0.77 3gh5A1 ALA 342 H -0.07 0.59 -0.10 -0.55 8.40 8.27 3gh5A1 ALA 342 HA 0.02 -0.02 0.30 -0.75 4.34 3.89 3gh5A1 ALA 342 HB3 -0.05 0.00 0.02 -0.04 1.41 1.34 3gh5A1 ASN 343 H -0.02 0.57 -0.17 -0.55 8.53 8.37 3gh5A1 ASN 343 HA -0.02 0.17 0.33 -0.75 4.76 4.49 3gh5A1 ASN 343 HB2 -0.03 0.07 0.13 -0.04 2.88 3.01 3gh5A1 ASN 343 HB3 -0.03 -0.09 -0.02 -0.04 2.79 2.61 3gh5A1 ASN 343 HD21 -0.02 -0.24 0.07 -0.04 7.03 6.80 3gh5A1 ASN 343 HD22 -0.02 0.42 0.08 -0.04 7.74 8.17 3gh5A1 SER 344 H 0.00 0.53 -0.21 -0.55 8.46 8.24 3gh5A1 SER 344 HA -0.08 -0.01 0.52 -0.75 4.49 4.17 3gh5A1 SER 344 HB2 0.00 0.14 0.14 -0.04 3.95 4.19 3gh5A1 SER 344 HB3 -0.17 -0.10 0.07 -0.04 3.93 3.68 3gh5A1 TYR 345 H 0.16 0.43 -0.36 -0.55 8.29 7.97 3gh5A1 TYR 345 HA -0.02 0.08 0.76 -0.75 4.56 4.63 3gh5A1 TYR 345 HB2 -0.03 0.08 0.06 -0.04 3.06 3.13 3gh5A1 TYR 345 HB3 -0.02 -0.01 0.12 -0.04 2.98 3.03 3gh5A1 TYR 345 HD2 -0.02 0.21 -0.00 -0.04 7.15 7.29 3gh5A1 TYR 345 HE2 -0.01 -0.06 -0.02 -0.04 6.85 6.72 3gh5A1 GLY 346 H -0.01 0.41 -0.44 -0.55 8.43 7.85 3gh5A1 GLY 346 HA2 -0.02 -0.01 0.28 -0.51 4.01 3.75 3gh5A1 GLY 346 HA3 -0.01 0.01 0.30 -0.51 4.01 3.81 3gh5A1 LYS 347 H 0.02 0.44 -0.13 -0.55 8.42 8.20 3gh5A1 LYS 347 HA -0.05 0.33 0.97 -0.75 4.32 4.81 3gh5A1 LYS 347 HB2 0.01 -0.12 -0.10 -0.04 1.87 1.62 3gh5A1 LYS 347 HB3 0.00 -0.04 -0.19 -0.04 1.79 1.52 3gh5A1 LYS 347 HG2 0.05 0.10 -0.32 -0.04 1.46 1.25 3gh5A1 LYS 347 HG3 0.02 -0.12 -0.15 -0.04 1.46 1.17 3gh5A1 LYS 347 HD2 0.01 0.01 -0.28 -0.04 1.69 1.39 3gh5A1 LYS 347 HD3 -0.01 0.12 -0.21 -0.04 1.68 1.53 3gh5A1 LYS 347 HE2 0.04 -0.06 -0.03 -0.04 2.99 2.90 3gh5A1 LYS 347 HE3 0.04 -0.07 0.02 -0.04 2.99 2.94 3gh5A1 LYS 348 H -0.16 0.75 0.33 -0.55 8.42 8.79 3gh5A1 LYS 348 HA -0.02 0.02 0.65 -0.75 4.32 4.22 3gh5A1 LYS 348 HB2 -0.39 -0.01 0.00 -0.04 1.87 1.43 3gh5A1 LYS 348 HB3 0.05 0.13 -0.05 -0.04 1.79 1.88 3gh5A1 LYS 348 HG2 -0.08 -0.09 -0.06 -0.04 1.46 1.20 3gh5A1 LYS 348 HG3 -0.18 0.07 -0.02 -0.04 1.46 1.29 3gh5A1 LYS 348 HD2 -0.50 -0.02 -0.04 -0.04 1.69 1.08 3gh5A1 LYS 348 HD3 -0.08 0.11 0.02 -0.04 1.68 1.69 3gh5A1 LYS 348 HE2 -0.07 -0.06 -0.01 -0.04 2.99 2.80 3gh5A1 LYS 348 HE3 -0.14 0.04 -0.02 -0.04 2.99 2.84 3gh5A1 VAL 349 H 0.05 0.09 0.12 -0.55 8.24 7.95 3gh5A1 VAL 349 HA 0.05 0.39 0.89 -0.75 4.13 4.70 3gh5A1 VAL 349 HB 0.05 -0.08 0.13 -0.04 2.12 2.18 3gh5A1 VAL 349 HG13 0.08 -0.03 -0.22 -0.04 0.97 0.76 3gh5A1 VAL 349 HG23 -0.06 0.02 -0.05 -0.04 0.95 0.82 3gh5A1 VAL 350 H -0.05 0.62 0.35 -0.55 8.24 8.62 3gh5A1 VAL 350 HA -0.19 0.25 0.91 -0.75 4.13 4.35 3gh5A1 VAL 350 HB -0.59 -0.11 -0.05 -0.04 2.12 1.33 3gh5A1 VAL 350 HG13 -0.58 -0.02 -0.23 -0.04 0.97 0.09 3gh5A1 VAL 350 HG23 -0.25 0.04 -0.23 -0.04 0.95 0.48 3gh5A1 GLY 351 H -0.27 0.54 0.26 -0.55 8.43 8.42 3gh5A1 GLY 351 HA2 -0.25 -0.02 0.73 -0.51 4.01 3.96 3gh5A1 GLY 351 HA3 -0.00 0.08 0.29 -0.51 4.01 3.87 3gh5A1 TRP 352 H 0.18 0.35 0.15 -0.55 7.97 8.11 3gh5A1 TRP 352 HA 0.29 0.21 0.62 -0.75 4.62 4.98 3gh5A1 TRP 352 HB2 0.22 -0.04 -0.27 -0.04 3.23 3.09 3gh5A1 TRP 352 HB3 0.20 0.03 0.04 -0.04 3.23 3.46 3gh5A1 TRP 352 HD1 0.21 -0.27 -0.25 -0.04 7.22 6.87 3gh5A1 TRP 352 HE1 0.18 0.00 -0.06 -0.04 10.20 10.29 3gh5A1 TRP 352 HE3 0.16 0.04 -0.04 -0.04 7.59 7.71 3gh5A1 TRP 352 HZ2 0.05 -0.01 -0.12 -0.04 7.44 7.32 3gh5A1 TRP 352 HZ3 0.26 0.09 -0.16 -0.04 7.13 7.29 3gh5A1 TRP 352 HH2 -0.02 0.04 -0.15 -0.04 7.19 7.01 3gh5A1 ASP 353 H 0.68 0.34 0.32 -0.55 8.40 9.20 3gh5A1 ASP 353 HA 0.19 -0.12 0.65 -0.75 4.63 4.59 3gh5A1 ASP 353 HB2 0.05 -0.01 0.15 -0.04 2.71 2.85 3gh5A1 ASP 353 HB3 0.14 0.05 0.15 -0.04 2.70 3.01 3gh5A1 PRO 354 HA 0.08 -0.07 0.36 -0.51 4.44 4.30 3gh5A1 PRO 354 HB2 0.02 0.02 0.20 -0.04 2.28 2.48 3gh5A1 PRO 354 HB3 -0.02 0.01 0.11 -0.04 2.02 2.08 3gh5A1 PRO 354 HG2 -0.28 0.07 -0.00 -0.04 2.03 1.78 3gh5A1 PRO 354 HG3 -0.18 0.03 0.08 -0.04 2.03 1.92 3gh5A1 PRO 354 HD2 0.07 0.33 0.16 -0.04 3.68 4.19 3gh5A1 PRO 354 HD3 0.07 0.04 0.43 -0.04 3.65 4.16 3gh5A1 SER 355 H 0.12 0.69 0.27 -0.55 8.46 9.00 3gh5A1 SER 355 HA -0.08 0.04 0.21 -0.75 4.49 3.91 3gh5A1 SER 355 HB2 -1.53 0.00 0.01 -0.04 3.95 2.39 3gh5A1 SER 355 HB3 -0.54 0.09 0.11 -0.04 3.93 3.55 3gh5A1 ASP 356 H 0.03 -0.03 -0.37 -0.55 8.40 7.49 3gh5A1 ASP 356 HA 0.02 0.20 0.38 -0.75 4.63 4.49 3gh5A1 ASP 356 HB2 0.03 0.06 -0.09 -0.04 2.71 2.66 3gh5A1 ASP 356 HB3 0.03 0.08 -0.04 -0.04 2.70 2.73 3gh5A1 THR 357 H 0.07 0.39 -0.29 -0.55 8.28 7.90 3gh5A1 THR 357 HA 0.05 0.08 0.46 -0.75 4.39 4.23 3gh5A1 THR 357 HB 0.07 -0.01 0.10 -0.04 4.32 4.44 3gh5A1 THR 357 HG23 0.04 -0.05 0.05 -0.04 1.22 1.22 3gh5A1 SER 358 H 0.07 0.38 -0.44 -0.55 8.46 7.93 3gh5A1 SER 358 HA 0.12 -0.05 0.47 -0.75 4.49 4.28 3gh5A1 SER 358 HB2 0.09 -0.00 0.10 -0.04 3.95 4.09 3gh5A1 SER 358 HB3 0.14 0.15 0.06 -0.04 3.93 4.24 3gh5A1 SER 359 H 0.08 0.08 0.21 -0.55 8.46 8.29 3gh5A1 SER 359 HA 0.05 0.16 0.40 -0.75 4.49 4.34 3gh5A1 SER 359 HB2 0.04 0.04 0.11 -0.04 3.95 4.09 3gh5A1 SER 359 HB3 0.05 -0.00 0.13 -0.04 3.93 4.07 3gh5A1 GLY 360 H 0.05 -0.05 -0.43 -0.55 8.43 7.45 3gh5A1 GLY 360 HA2 -0.00 0.15 0.57 -0.51 4.01 4.22 3gh5A1 GLY 360 HA3 -0.01 -0.13 0.31 -0.51 4.01 3.67 3gh5A1 ALA 361 H 0.06 0.38 -0.30 -0.55 8.40 7.99 3gh5A1 ALA 361 HA 0.07 -0.03 0.46 -0.75 4.34 4.09 3gh5A1 ALA 361 HB3 0.07 0.03 0.03 -0.04 1.41 1.49 3gh5A1 THR 362 H 0.03 0.06 0.20 -0.55 8.28 8.02 3gh5A1 THR 362 HA 0.01 0.30 0.78 -0.75 4.39 4.72 3gh5A1 THR 362 HB -0.00 -0.01 0.18 -0.04 4.32 4.45 3gh5A1 THR 362 HG23 -0.00 0.05 -0.08 -0.04 1.22 1.14 3gh5A1 SER 363 H 0.00 0.17 0.13 -0.55 8.46 8.22 3gh5A1 SER 363 HA 0.01 0.16 0.28 -0.75 4.49 4.19 3gh5A1 SER 363 HB2 -0.00 -0.11 0.08 -0.04 3.95 3.87 3gh5A1 SER 363 HB3 -0.00 0.09 0.11 -0.04 3.93 4.09 3gh5A1 ASP 364 H 0.00 -0.08 -0.40 -0.55 8.40 7.38 3gh5A1 ASP 364 HA 0.01 0.17 0.62 -0.75 4.63 4.67 3gh5A1 ASP 364 HB2 -0.01 -0.07 0.02 -0.04 2.71 2.62 3gh5A1 ASP 364 HB3 -0.01 0.01 0.00 -0.04 2.70 2.66 3gh5A1 SER 365 H 0.03 0.21 -0.19 -0.55 8.46 7.96 3gh5A1 SER 365 HA 0.07 0.11 0.65 -0.75 4.49 4.57 3gh5A1 SER 365 HB2 0.04 0.10 0.07 -0.04 3.95 4.12 3gh5A1 SER 365 HB3 0.07 0.02 0.08 -0.04 3.93 4.05 3gh5A1 VAL 366 H -0.00 0.63 0.41 -0.55 8.24 8.72 3gh5A1 VAL 366 HA -0.06 0.31 0.89 -0.75 4.13 4.52 3gh5A1 VAL 366 HB -0.21 -0.11 0.01 -0.04 2.12 1.77 3gh5A1 VAL 366 HG13 -0.17 -0.02 -0.34 -0.04 0.97 0.40 3gh5A1 VAL 366 HG23 -0.18 0.04 -0.22 -0.04 0.95 0.55 3gh5A1 LEU 367 H -0.04 0.70 0.23 -0.55 8.37 8.71 3gh5A1 LEU 367 HA -0.03 0.20 0.87 -0.75 4.35 4.64 3gh5A1 LEU 367 HB2 0.02 -0.03 -0.02 -0.04 1.64 1.57 3gh5A1 LEU 367 HB3 0.02 0.12 0.11 -0.04 1.64 1.85 3gh5A1 LEU 367 HG 0.09 -0.02 -0.58 -0.04 1.64 1.09 3gh5A1 LEU 367 HD13 0.10 -0.01 -0.11 -0.04 0.93 0.87 3gh5A1 LEU 367 HD23 0.05 -0.03 -0.08 -0.04 0.89 0.79 3gh5A1 GLN 368 H -0.05 0.71 0.16 -0.55 8.47 8.75 3gh5A1 GLN 368 HA 0.02 0.32 0.92 -0.75 4.36 4.87 3gh5A1 GLN 368 HB2 -0.28 0.03 -0.14 -0.04 2.15 1.71 3gh5A1 GLN 368 HB3 -0.20 -0.13 -0.07 -0.04 2.02 1.58 3gh5A1 GLN 368 HG2 0.45 -0.11 -0.33 -0.04 2.40 2.37 3gh5A1 GLN 368 HG3 0.12 0.18 -0.25 -0.04 2.39 2.39 3gh5A1 GLN 368 HE21 0.18 -0.01 -0.26 -0.04 6.97 6.84 3gh5A1 GLN 368 HE22 0.31 0.10 -0.28 -0.04 7.69 7.77 3gh5A1 ASN 369 H 0.16 0.87 0.13 -0.55 8.53 9.14 3gh5A1 ASN 369 HA 0.23 -0.15 0.58 -0.75 4.76 4.67 3gh5A1 ASN 369 HB2 0.09 0.03 -0.07 -0.04 2.88 2.89 3gh5A1 ASN 369 HB3 0.11 0.11 0.08 -0.04 2.79 3.04 3gh5A1 ASN 369 HD21 0.01 0.12 -0.15 -0.04 7.03 6.96 3gh5A1 ASN 369 HD22 0.04 0.09 -0.20 -0.04 7.74 7.63 3gh5A1 TRP 370 H 0.62 0.05 0.25 -0.55 7.97 8.34 3gh5A1 TRP 370 HA 0.23 0.40 0.82 -0.75 4.62 5.32 3gh5A1 TRP 370 HB2 0.30 0.09 0.05 -0.04 3.23 3.64 3gh5A1 TRP 370 HB3 0.61 0.01 -0.01 -0.04 3.23 3.80 3gh5A1 TRP 370 HD1 0.51 0.07 0.27 -0.04 7.22 8.02 3gh5A1 TRP 370 HE1 0.20 0.44 0.10 -0.04 10.20 10.91 3gh5A1 TRP 370 HE3 0.10 0.08 -0.10 -0.04 7.59 7.63 3gh5A1 TRP 370 HZ2 -0.09 -0.07 0.07 -0.04 7.44 7.31 3gh5A1 TRP 370 HZ3 -0.12 0.02 -0.05 -0.04 7.13 6.94 3gh5A1 TRP 370 HH2 -0.25 -0.03 -0.01 -0.04 7.19 6.86 3gh5A1 THR 371 H -0.54 -0.09 0.12 -0.55 8.28 7.22 3gh5A1 THR 371 HA -0.52 0.16 0.39 -0.75 4.39 3.67 3gh5A1 THR 371 HB -0.37 -0.13 0.13 -0.04 4.32 3.90 3gh5A1 THR 371 HG23 -0.29 0.01 -0.08 -0.04 1.22 0.82 3gh5A1 CYS 372 H -0.11 -0.08 -0.17 -0.55 8.50 7.59 3gh5A1 CYS 372 HA -0.04 0.13 0.24 -0.75 4.58 4.15 3gh5A1 CYS 372 HB2 -0.10 0.13 -0.18 -0.04 2.97 2.78 3gh5A1 CYS 372 HB3 -0.05 0.09 0.19 -0.04 2.97 3.16 3gh5A1 SER 373 H -0.11 -0.18 -0.12 -0.55 8.46 7.51 3gh5A1 SER 373 HA -0.07 0.29 0.83 -0.75 4.49 4.78 3gh5A1 SER 373 HB2 -0.08 0.05 0.13 -0.04 3.95 4.01 3gh5A1 SER 373 HB3 -0.13 0.06 -0.02 -0.04 3.93 3.81 3gh5A1 ALA 374 H -0.04 0.16 0.15 -0.55 8.40 8.12 3gh5A1 ALA 374 HA -0.02 0.19 0.37 -0.75 4.34 4.12 3gh5A1 ALA 374 HB3 -0.02 0.01 0.10 -0.04 1.41 1.46 3gh5A1 SER 375 H -0.04 -0.05 -0.29 -0.55 8.46 7.54 3gh5A1 SER 375 HA -0.02 0.26 0.69 -0.75 4.49 4.67 3gh5A1 SER 375 HB2 -0.02 -0.01 0.06 -0.04 3.95 3.93 3gh5A1 SER 375 HB3 -0.03 0.04 -0.00 -0.04 3.93 3.90 3gh5A1 THR 376 H -0.05 0.15 -0.26 -0.55 8.28 7.57 3gh5A1 THR 376 HA -0.04 -0.06 0.41 -0.75 4.39 3.94 3gh5A1 THR 376 HB -0.04 0.24 0.09 -0.04 4.32 4.56 3gh5A1 THR 376 HG23 -0.05 -0.04 0.02 -0.04 1.22 1.11 3gh5A1 GLY 377 H 0.01 0.01 0.19 -0.55 8.43 8.09 3gh5A1 GLY 377 HA2 0.02 -0.13 0.29 -0.51 4.01 3.69 3gh5A1 GLY 377 HA3 0.02 0.21 0.32 -0.51 4.01 4.06 3gh5A1 THR 378 H 0.00 0.35 -0.23 -0.55 8.28 7.85 3gh5A1 THR 378 HA 0.01 0.18 0.48 -0.75 4.39 4.30 3gh5A1 THR 378 HB 0.00 -0.12 0.11 -0.04 4.32 4.28 3gh5A1 THR 378 HG23 0.01 0.01 -0.08 -0.04 1.22 1.11 3gh5A1 ALA 379 H 0.02 -0.00 -0.12 -0.55 8.40 7.75 3gh5A1 ALA 379 HA 0.02 0.14 0.36 -0.75 4.34 4.10 3gh5A1 ALA 379 HB3 0.03 0.02 -0.16 -0.04 1.41 1.26 3gh5A1 ALA 380 H 0.02 -0.13 -0.30 -0.55 8.40 7.45 3gh5A1 ALA 380 HA 0.02 0.10 0.23 -0.75 4.34 3.93 3gh5A1 ALA 380 HB3 0.02 0.03 -0.01 -0.04 1.41 1.42 3gh5A1 LYS 381 H 0.02 0.54 -0.30 -0.55 8.42 8.12 3gh5A1 LYS 381 HA 0.01 0.03 0.38 -0.75 4.32 3.98 3gh5A1 LYS 381 HB2 0.01 0.05 0.15 -0.04 1.87 2.05 3gh5A1 LYS 381 HB3 0.01 0.04 0.02 -0.04 1.79 1.82 3gh5A1 LYS 381 HG2 0.02 -0.12 -0.06 -0.04 1.46 1.26 3gh5A1 LYS 381 HG3 0.02 0.11 0.02 -0.04 1.46 1.56 3gh5A1 LYS 381 HD2 0.01 0.06 -0.14 -0.04 1.69 1.58 3gh5A1 LYS 381 HD3 0.02 -0.06 -0.35 -0.04 1.68 1.25 3gh5A1 LYS 381 HE2 0.01 -0.04 -0.27 -0.04 2.99 2.65 3gh5A1 LYS 381 HE3 0.01 -0.06 -0.05 -0.04 2.99 2.85 3gh5A1 ALA 382 H 0.01 0.44 -0.15 -0.55 8.40 8.16 3gh5A1 ALA 382 HA 0.01 0.01 0.40 -0.75 4.34 4.00 3gh5A1 ALA 382 HB3 0.01 -0.01 0.10 -0.04 1.41 1.47 3gh5A1 LYS 383 H 0.01 0.43 -0.32 -0.55 8.42 7.99 3gh5A1 LYS 383 HA 0.01 0.07 0.54 -0.75 4.32 4.19 3gh5A1 LYS 383 HB2 0.02 0.00 -0.05 -0.04 1.87 1.80 3gh5A1 LYS 383 HB3 0.01 -0.08 -0.09 -0.04 1.79 1.59 3gh5A1 LYS 383 HG2 0.02 -0.03 -0.11 -0.04 1.46 1.29 3gh5A1 LYS 383 HG3 0.02 0.05 -0.09 -0.04 1.46 1.40 3gh5A1 LYS 383 HD2 0.03 -0.06 -0.26 -0.04 1.69 1.37 3gh5A1 LYS 383 HD3 0.03 -0.02 -0.21 -0.04 1.68 1.44 3gh5A1 LYS 383 HE2 0.03 -0.03 -0.11 -0.04 2.99 2.84 3gh5A1 LYS 383 HE3 0.03 -0.14 -0.10 -0.04 2.99 2.73 3gh5A1 GLY 384 H 0.01 0.37 -0.34 -0.55 8.43 7.92 3gh5A1 GLY 384 HA2 0.00 0.01 0.30 -0.51 4.01 3.82 3gh5A1 GLY 384 HA3 0.00 -0.00 0.52 -0.51 4.01 4.02 3gh5A1 MET 385 H 0.01 0.40 -0.05 -0.55 8.47 8.28 3gh5A1 MET 385 HA -0.01 0.34 0.70 -0.75 4.52 4.80 3gh5A1 MET 385 HB2 0.01 -0.25 0.04 -0.04 2.15 1.91 3gh5A1 MET 385 HB3 -0.01 0.07 -0.05 -0.04 2.03 2.01 3gh5A1 MET 385 HG2 0.01 0.26 -0.05 -0.04 2.63 2.80 3gh5A1 MET 385 HG3 0.01 -0.05 -0.21 -0.04 2.56 2.27 3gh5A1 MET 385 HE3 0.02 -0.01 -0.42 -0.04 2.10 1.64 3gh5A1 LYS 386 H -0.05 0.26 0.21 -0.55 8.42 8.28 3gh5A1 LYS 386 HA -0.02 0.15 0.54 -0.75 4.32 4.24 3gh5A1 LYS 386 HB2 -0.19 -0.00 0.06 -0.04 1.87 1.70 3gh5A1 LYS 386 HB3 -0.16 -0.09 -0.04 -0.04 1.79 1.46 3gh5A1 LYS 386 HG2 -0.14 -0.00 0.02 -0.04 1.46 1.29 3gh5A1 LYS 386 HG3 -0.14 0.11 0.09 -0.04 1.46 1.47 3gh5A1 LYS 386 HD2 -0.63 0.00 -0.04 -0.04 1.69 0.98 3gh5A1 LYS 386 HD3 -1.25 -0.05 -0.04 -0.04 1.68 0.30 3gh5A1 LYS 386 HE2 -0.20 -0.01 -0.01 -0.04 2.99 2.72 3gh5A1 LYS 386 HE3 -0.16 0.05 0.01 -0.04 2.99 2.85 3gh5A1 VAL 387 H 0.05 0.48 0.40 -0.55 8.24 8.63 3gh5A1 VAL 387 HA 0.01 0.24 1.04 -0.75 4.13 4.66 3gh5A1 VAL 387 HB 0.05 -0.01 0.01 -0.04 2.12 2.12 3gh5A1 VAL 387 HG13 0.05 -0.03 -0.23 -0.04 0.97 0.72 3gh5A1 VAL 387 HG23 0.03 0.03 -0.19 -0.04 0.95 0.78 3gh5A1 ILE 388 H -0.03 0.70 0.30 -0.55 8.25 8.66 3gh5A1 ILE 388 HA -0.05 0.20 0.79 -0.75 4.18 4.36 3gh5A1 ILE 388 HB -0.17 -0.10 0.00 -0.04 1.89 1.58 3gh5A1 ILE 388 HG12 -0.73 0.05 -0.27 -0.04 1.49 0.49 3gh5A1 ILE 388 HG13 -0.15 -0.05 -0.33 -0.04 1.21 0.63 3gh5A1 ILE 388 HG23 -0.16 0.01 -0.48 -0.04 0.93 0.26 3gh5A1 ILE 388 HD13 -0.75 -0.00 -0.26 -0.04 0.88 -0.18 3gh5A1 VAL 389 H 0.04 0.73 0.34 -0.55 8.24 8.80 3gh5A1 VAL 389 HA 0.13 0.13 0.90 -0.75 4.13 4.53 3gh5A1 VAL 389 HB 0.13 -0.02 0.04 -0.04 2.12 2.23 3gh5A1 VAL 389 HG13 0.08 0.02 -0.09 -0.04 0.97 0.93 3gh5A1 VAL 389 HG23 0.21 0.05 0.07 -0.04 0.95 1.24 3gh5A1 SER 390 H 0.22 0.64 0.14 -0.55 8.46 8.91 3gh5A1 SER 390 HA 0.16 0.23 0.73 -0.75 4.49 4.86 3gh5A1 SER 390 HB2 0.60 -0.16 -0.00 -0.04 3.95 4.34 3gh5A1 SER 390 HB3 0.46 -0.01 0.06 -0.04 3.93 4.40 3gh5A1 PRO 391 HA -0.11 0.24 0.46 -0.51 4.44 4.52 3gh5A1 PRO 391 HB2 -0.41 -0.07 0.06 -0.04 2.28 1.82 3gh5A1 PRO 391 HB3 -0.20 0.08 0.05 -0.04 2.02 1.90 3gh5A1 PRO 391 HG2 -1.26 -0.05 -0.17 -0.04 2.03 0.51 3gh5A1 PRO 391 HG3 -0.96 0.11 -0.10 -0.04 2.03 1.03 3gh5A1 PRO 391 HD2 -0.26 0.21 -0.11 -0.04 3.68 3.48 3gh5A1 PRO 391 HD3 -0.06 0.06 -0.17 -0.04 3.65 3.44 3gh5A1 ALA 392 H -0.29 0.21 0.13 -0.55 8.40 7.92 3gh5A1 ALA 392 HA -0.37 0.03 0.48 -0.75 4.34 3.72 3gh5A1 ALA 392 HB3 -0.32 0.05 0.10 -0.04 1.41 1.20 3gh5A1 ASN 393 H -0.52 0.05 -0.35 -0.55 8.53 7.17 3gh5A1 ASN 393 HA -0.31 0.08 0.11 -0.75 4.76 3.89 3gh5A1 ASN 393 HB2 -2.18 -0.03 -0.21 -0.04 2.88 0.43 3gh5A1 ASN 393 HB3 -0.75 0.25 -0.05 -0.04 2.79 2.20 3gh5A1 ASN 393 HD21 -0.11 -0.06 -0.03 -0.04 7.03 6.79 3gh5A1 ASN 393 HD22 -0.11 0.53 -0.02 -0.04 7.74 8.10 3gh5A1 ALA 394 H -0.29 0.41 -0.75 -0.55 8.40 7.22 3gh5A1 ALA 394 HA -0.02 0.20 0.73 -0.75 4.34 4.49 3gh5A1 ALA 394 HB3 -0.03 -0.00 -0.03 -0.04 1.41 1.31 3gh5A1 TYR 395 H 0.08 0.50 -0.20 -0.55 8.29 8.12 3gh5A1 TYR 395 HA 0.08 0.04 0.85 -0.75 4.56 4.78 3gh5A1 TYR 395 HB2 -0.17 0.18 0.23 -0.04 3.06 3.26 3gh5A1 TYR 395 HB3 -0.07 -0.17 0.14 -0.04 2.98 2.85 3gh5A1 TYR 395 HD2 0.10 0.04 -0.15 -0.04 7.15 7.10 3gh5A1 TYR 395 HE2 0.24 0.03 -0.02 -0.04 6.85 7.05 3gh5A1 LEU 396 H -0.04 0.39 0.08 -0.55 8.37 8.25 3gh5A1 LEU 396 HA -0.06 0.18 0.19 -0.75 4.35 3.91 3gh5A1 LEU 396 HB2 -0.05 -0.05 -0.12 -0.04 1.64 1.38 3gh5A1 LEU 396 HB3 -0.08 0.12 -0.02 -0.04 1.64 1.63 3gh5A1 LEU 396 HG -0.03 0.05 -0.09 -0.04 1.64 1.53 3gh5A1 LEU 396 HD13 -0.06 -0.01 -0.10 -0.04 0.93 0.72 3gh5A1 LEU 396 HD23 -0.02 -0.00 -0.26 -0.04 0.89 0.56 3gh5A1 ASP 397 H 0.14 0.05 -0.26 -0.55 8.40 7.78 3gh5A1 ASP 397 HA 0.51 0.18 0.63 -0.75 4.63 5.20 3gh5A1 ASP 397 HB2 0.19 -0.11 0.08 -0.04 2.71 2.84 3gh5A1 ASP 397 HB3 0.38 0.03 0.16 -0.04 2.70 3.22 3gh5A1 MET 398 H 0.08 0.48 -0.27 -0.55 8.47 8.22 3gh5A1 MET 398 HA 0.07 -0.05 0.48 -0.75 4.52 4.26 3gh5A1 MET 398 HB2 -0.06 0.12 0.04 -0.04 2.15 2.21 3gh5A1 MET 398 HB3 -0.03 0.14 0.04 -0.04 2.03 2.14 3gh5A1 MET 398 HG2 -0.05 0.05 0.05 -0.04 2.63 2.64 3gh5A1 MET 398 HG3 -0.22 0.08 -0.15 -0.04 2.56 2.24 3gh5A1 MET 398 HE3 -0.00 -0.04 -0.17 -0.04 2.10 1.85 3gh5A1 LYS 399 H 0.13 0.59 0.26 -0.55 8.42 8.84 3gh5A1 LYS 399 HA 0.12 0.10 0.52 -0.75 4.32 4.30 3gh5A1 LYS 399 HB2 0.25 -0.11 -0.06 -0.04 1.87 1.90 3gh5A1 LYS 399 HB3 0.04 0.00 0.02 -0.04 1.79 1.81 3gh5A1 LYS 399 HG2 0.11 0.27 -0.04 -0.04 1.46 1.76 3gh5A1 LYS 399 HG3 0.14 0.04 -0.24 -0.04 1.46 1.37 3gh5A1 LYS 399 HD2 0.20 -0.16 -0.17 -0.04 1.69 1.52 3gh5A1 LYS 399 HD3 0.04 0.09 -0.07 -0.04 1.68 1.70 3gh5A1 LYS 399 HE2 0.07 0.12 -0.25 -0.04 2.99 2.88 3gh5A1 LYS 399 HE3 0.10 -0.00 -0.28 -0.04 2.99 2.77 3gh5A1 TYR 400 H 0.19 0.15 0.18 -0.55 8.29 8.26 3gh5A1 TYR 400 HA -0.17 0.30 0.31 -0.75 4.56 4.24 3gh5A1 TYR 400 HB2 -0.11 -0.05 0.12 -0.04 3.06 2.98 3gh5A1 TYR 400 HB3 -0.19 -0.14 -0.02 -0.04 2.98 2.59 3gh5A1 TYR 400 HD2 -0.01 -0.19 0.12 -0.04 7.15 7.04 3gh5A1 TYR 400 HE2 0.01 -0.01 -0.01 -0.04 6.85 6.80 3gh5A1 TYR 401 H 0.00 0.21 -0.04 -0.55 8.29 7.91 3gh5A1 TYR 401 HA -0.36 0.18 0.64 -0.75 4.56 4.26 3gh5A1 TYR 401 HB2 -0.06 -0.01 -0.09 -0.04 3.06 2.86 3gh5A1 TYR 401 HB3 -0.15 -0.04 0.05 -0.04 2.98 2.80 3gh5A1 TYR 401 HD2 0.09 -0.01 -0.06 -0.04 7.15 7.13 3gh5A1 TYR 401 HE2 0.24 -0.01 -0.02 -0.04 6.85 7.02 3gh5A1 SER 402 H -0.72 0.16 0.09 -0.55 8.46 7.44 3gh5A1 SER 402 HA -0.68 0.10 0.36 -0.75 4.49 3.51 3gh5A1 SER 402 HB2 -0.22 0.00 0.12 -0.04 3.95 3.81 3gh5A1 SER 402 HB3 -0.12 -0.03 0.08 -0.04 3.93 3.82 3gh5A1 ASP 403 H -0.06 -0.03 -0.38 -0.55 8.40 7.38 3gh5A1 ASP 403 HA -0.01 0.26 0.59 -0.75 4.63 4.71 3gh5A1 ASP 403 HB2 -0.00 0.05 0.09 -0.04 2.71 2.81 3gh5A1 ASP 403 HB3 -0.01 -0.05 -0.02 -0.04 2.70 2.58 3gh5A1 SER 404 H -0.02 0.44 -0.32 -0.55 8.46 8.01 3gh5A1 SER 404 HA 0.01 0.02 0.44 -0.75 4.49 4.21 3gh5A1 SER 404 HB2 0.06 0.11 0.15 -0.04 3.95 4.24 3gh5A1 SER 404 HB3 0.12 0.09 0.17 -0.04 3.93 4.26 3gh5A1 PRO 405 HA -0.02 0.13 0.51 -0.51 4.44 4.55 3gh5A1 PRO 405 HB2 -0.10 -0.01 0.04 -0.04 2.28 2.18 3gh5A1 PRO 405 HB3 -0.05 0.02 0.13 -0.04 2.02 2.07 3gh5A1 PRO 405 HG2 -0.35 0.01 0.05 -0.04 2.03 1.70 3gh5A1 PRO 405 HG3 -0.15 0.03 0.09 -0.04 2.03 1.95 3gh5A1 PRO 405 HD2 -0.08 0.05 0.24 -0.04 3.68 3.84 3gh5A1 PRO 405 HD3 -0.03 0.14 0.24 -0.04 3.65 3.96 3gh5A1 ILE 406 H -0.02 0.15 -0.15 -0.55 8.25 7.68 3gh5A1 ILE 406 HA 0.00 0.17 0.65 -0.75 4.18 4.25 3gh5A1 ILE 406 HB 0.24 -0.03 0.02 -0.04 1.89 2.08 3gh5A1 ILE 406 HG12 -0.27 -0.07 -0.04 -0.04 1.49 1.07 3gh5A1 ILE 406 HG13 0.13 0.03 -0.18 -0.04 1.21 1.15 3gh5A1 ILE 406 HG23 -0.40 -0.01 -0.09 -0.04 0.93 0.38 3gh5A1 ILE 406 HD13 -0.17 -0.01 -0.03 -0.04 0.88 0.63 3gh5A1 GLY 407 H 0.08 0.04 0.04 -0.55 8.43 8.03 3gh5A1 GLY 407 HA2 0.19 0.06 0.34 -0.51 4.01 4.10 3gh5A1 GLY 407 HA3 0.21 0.21 0.74 -0.51 4.01 4.66 3gh5A1 LEU 408 H 0.11 0.46 0.18 -0.55 8.37 8.57 3gh5A1 LEU 408 HA 0.09 0.22 0.79 -0.75 4.35 4.71 3gh5A1 LEU 408 HB2 0.17 0.03 -0.01 -0.04 1.64 1.79 3gh5A1 LEU 408 HB3 0.25 -0.21 0.17 -0.04 1.64 1.81 3gh5A1 LEU 408 HG 0.01 -0.03 -0.13 -0.04 1.64 1.44 3gh5A1 LEU 408 HD13 0.12 -0.01 -0.02 -0.04 0.93 0.97 3gh5A1 LEU 408 HD23 0.04 0.06 -0.05 -0.04 0.89 0.89 3gh5A1 GLN 409 H 0.15 0.04 0.15 -0.55 8.47 8.26 3gh5A1 GLN 409 HA -0.01 0.33 0.58 -0.75 4.36 4.50 3gh5A1 GLN 409 HB2 0.00 -0.04 0.04 -0.04 2.15 2.11 3gh5A1 GLN 409 HB3 0.24 0.16 -0.26 -0.04 2.02 2.12 3gh5A1 GLN 409 HG2 0.12 -0.06 -0.12 -0.04 2.40 2.30 3gh5A1 GLN 409 HG3 0.07 -0.02 -0.11 -0.04 2.39 2.29 3gh5A1 GLN 409 HE21 0.24 0.03 -0.03 -0.04 6.97 7.17 3gh5A1 GLN 409 HE22 0.10 -0.05 -0.04 -0.04 7.69 7.66 3gh5A1 TRP 410 H 0.18 0.05 0.12 -0.55 7.97 7.78 3gh5A1 TRP 410 HA -0.07 0.16 0.43 -0.75 4.62 4.38 3gh5A1 TRP 410 HB2 -0.07 0.05 0.13 -0.04 3.23 3.30 3gh5A1 TRP 410 HB3 -0.05 -0.03 0.12 -0.04 3.23 3.22 3gh5A1 TRP 410 HD1 -0.05 -0.07 0.04 -0.04 7.22 7.10 3gh5A1 TRP 410 HE1 -0.09 -0.02 -0.04 -0.04 10.20 10.01 3gh5A1 TRP 410 HE3 -0.10 0.02 -0.09 -0.04 7.59 7.38 3gh5A1 TRP 410 HZ2 -0.11 -0.02 -0.05 -0.04 7.44 7.22 3gh5A1 TRP 410 HZ3 -0.13 0.01 -0.04 -0.04 7.13 6.93 3gh5A1 TRP 410 HH2 0.14 0.00 -0.06 -0.04 7.19 7.23 3gh5A1 ARG 411 H -0.71 0.08 -0.29 -0.55 8.46 6.99 3gh5A1 ARG 411 HA -0.52 0.18 0.82 -0.75 4.34 4.06 3gh5A1 ARG 411 HB2 -0.67 0.11 0.02 -0.04 1.90 1.32 3gh5A1 ARG 411 HB3 -0.63 -0.02 0.18 -0.04 1.80 1.29 3gh5A1 ARG 411 HG2 -2.30 0.03 -0.12 -0.04 1.67 -0.75 3gh5A1 ARG 411 HG3 -2.50 -0.12 -0.08 -0.04 1.67 -1.06 3gh5A1 ARG 411 HD2 -1.71 -0.05 -0.05 -0.04 3.22 1.37 3gh5A1 ARG 411 HD3 -0.94 0.06 0.03 -0.04 3.22 2.33 3gh5A1 GLY 412 H -0.28 0.32 -0.43 -0.55 8.43 7.50 3gh5A1 GLY 412 HA2 -0.52 0.02 0.27 -0.51 4.01 3.27 3gh5A1 GLY 412 HA3 -0.34 0.12 0.60 -0.51 4.01 3.88 3gh5A1 PHE 413 H -0.51 0.05 0.10 -0.55 8.34 7.43 3gh5A1 PHE 413 HA -0.10 0.24 0.59 -0.75 4.62 4.60 3gh5A1 PHE 413 HB2 -0.09 -0.07 -0.05 -0.04 3.15 2.90 3gh5A1 PHE 413 HB3 -0.12 0.16 -0.47 -0.04 3.06 2.60 3gh5A1 PHE 413 HD2 0.00 0.09 -0.15 -0.04 7.28 7.18 3gh5A1 PHE 413 HE2 0.03 0.04 -0.06 -0.04 7.38 7.35 3gh5A1 PHE 413 HZ 0.03 0.03 -0.01 -0.04 7.32 7.33 3gh5A1 VAL 414 H -0.03 0.75 -0.03 -0.55 8.24 8.38 3gh5A1 VAL 414 HA -0.09 0.05 0.83 -0.75 4.13 4.16 3gh5A1 VAL 414 HB -0.13 0.09 0.01 -0.04 2.12 2.05 3gh5A1 VAL 414 HG13 -0.11 -0.01 -0.25 -0.04 0.97 0.56 3gh5A1 VAL 414 HG23 -0.14 0.04 -0.35 -0.04 0.95 0.47 3gh5A1 ASN 415 H -0.11 0.05 0.03 -0.55 8.53 7.95 3gh5A1 ASN 415 HA 0.04 0.23 0.83 -0.75 4.76 5.11 3gh5A1 ASN 415 HB2 0.12 -0.16 0.20 -0.04 2.88 2.99 3gh5A1 ASN 415 HB3 -0.55 0.29 0.13 -0.04 2.79 2.61 3gh5A1 ASN 415 HD21 0.04 0.04 0.01 -0.04 7.03 7.07 3gh5A1 ASN 415 HD22 0.08 0.07 0.02 -0.04 7.74 7.87 3gh5A1 THR 416 H 0.30 0.11 0.13 -0.55 8.28 8.27 3gh5A1 THR 416 HA 0.23 0.18 0.26 -0.75 4.39 4.31 3gh5A1 THR 416 HB 0.41 -0.08 0.03 -0.04 4.32 4.64 3gh5A1 THR 416 HG23 0.52 0.04 -0.14 -0.04 1.22 1.60 3gh5A1 ASN 417 H -0.12 0.00 -0.19 -0.55 8.53 7.68 3gh5A1 ASN 417 HA -1.26 0.13 0.49 -0.75 4.76 3.37 3gh5A1 ASN 417 HB2 -1.18 0.05 0.04 -0.04 2.88 1.75 3gh5A1 ASN 417 HB3 -0.39 -0.06 0.05 -0.04 2.79 2.35 3gh5A1 ASN 417 HD21 -0.86 -0.03 0.03 -0.04 7.03 6.13 3gh5A1 ASN 417 HD22 -3.21 0.03 0.02 -0.04 7.74 4.53 3gh5A1 ARG 418 H -0.12 0.01 -0.19 -0.55 8.46 7.61 3gh5A1 ARG 418 HA -0.04 0.08 0.44 -0.75 4.34 4.07 3gh5A1 ARG 418 HB2 -0.07 -0.09 0.11 -0.04 1.90 1.81 3gh5A1 ARG 418 HB3 -0.07 0.06 0.06 -0.04 1.80 1.80 3gh5A1 ARG 418 HG2 -0.12 0.03 -0.16 -0.04 1.67 1.38 3gh5A1 ARG 418 HG3 -0.07 -0.01 0.06 -0.04 1.67 1.60 3gh5A1 ARG 418 HD2 -0.08 -0.06 0.07 -0.04 3.22 3.10 3gh5A1 ARG 418 HD3 -0.11 0.18 0.08 -0.04 3.22 3.32 3gh5A1 ALA 419 H 0.04 0.38 -0.40 -0.55 8.40 7.88 3gh5A1 ALA 419 HA 0.11 0.22 0.40 -0.75 4.34 4.32 3gh5A1 ALA 419 HB3 0.11 0.01 0.04 -0.04 1.41 1.52 3gh5A1 TYR 420 H 0.21 0.18 -0.63 -0.55 8.29 7.51 3gh5A1 TYR 420 HA -0.02 0.21 0.79 -0.75 4.56 4.79 3gh5A1 TYR 420 HB2 0.11 0.04 0.06 -0.04 3.06 3.22 3gh5A1 TYR 420 HB3 0.16 -0.01 0.13 -0.04 2.98 3.22 3gh5A1 TYR 420 HD2 -0.34 -0.01 -0.06 -0.04 7.15 6.70 3gh5A1 TYR 420 HE2 -0.26 -0.08 -0.19 -0.04 6.85 6.28 3gh5A1 ASN 421 H 0.18 0.41 0.03 -0.55 8.53 8.61 3gh5A1 ASN 421 HA 0.05 0.08 0.34 -0.75 4.76 4.48 3gh5A1 ASN 421 HB2 0.01 0.07 0.15 -0.04 2.88 3.07 3gh5A1 ASN 421 HB3 0.05 -0.04 0.19 -0.04 2.79 2.95 3gh5A1 ASN 421 HD21 0.02 -0.10 0.05 -0.04 7.03 6.96 3gh5A1 ASN 421 HD22 -0.10 -0.01 0.02 -0.04 7.74 7.61 3gh5A1 TRP 422 H -0.20 0.73 0.26 -0.55 7.97 8.21 3gh5A1 TRP 422 HA -0.05 0.01 0.43 -0.75 4.62 4.25 3gh5A1 TRP 422 HB2 -0.05 -0.11 0.06 -0.04 3.23 3.08 3gh5A1 TRP 422 HB3 -0.06 0.12 -0.15 -0.04 3.23 3.11 3gh5A1 TRP 422 HD1 -0.07 -0.03 -0.80 -0.04 7.22 6.27 3gh5A1 TRP 422 HE1 -0.06 0.45 -0.19 -0.04 10.20 10.36 3gh5A1 TRP 422 HE3 -0.05 0.04 -0.41 -0.04 7.59 7.13 3gh5A1 TRP 422 HZ2 -0.03 0.05 -0.15 -0.04 7.44 7.27 3gh5A1 TRP 422 HZ3 -0.06 -0.07 -0.20 -0.04 7.13 6.75 3gh5A1 TRP 422 HH2 -0.04 -0.00 -0.13 -0.04 7.19 6.97 3gh5A1 ASP 423 H 0.24 0.17 0.17 -0.55 8.40 8.42 3gh5A1 ASP 423 HA -0.42 0.36 0.74 -0.75 4.63 4.56 3gh5A1 ASP 423 HB2 -0.08 0.11 -0.06 -0.04 2.71 2.64 3gh5A1 ASP 423 HB3 0.01 -0.13 0.05 -0.04 2.70 2.59 3gh5A1 PRO 424 HA 0.30 0.04 0.45 -0.51 4.44 4.72 3gh5A1 PRO 424 HB2 -0.11 0.03 0.05 -0.04 2.28 2.21 3gh5A1 PRO 424 HB3 -0.16 0.03 0.06 -0.04 2.02 1.91 3gh5A1 PRO 424 HG2 -0.93 0.16 0.02 -0.04 2.03 1.24 3gh5A1 PRO 424 HG3 -0.40 0.05 -0.03 -0.04 2.03 1.61 3gh5A1 PRO 424 HD2 -0.09 0.10 0.22 -0.04 3.68 3.86 3gh5A1 PRO 424 HD3 -0.55 0.28 0.15 -0.04 3.65 3.48 3gh5A1 THR 425 H 0.06 0.13 -0.24 -0.55 8.28 7.69 3gh5A1 THR 425 HA 0.07 0.26 0.49 -0.75 4.39 4.45 3gh5A1 THR 425 HB 0.05 0.00 0.10 -0.04 4.32 4.43 3gh5A1 THR 425 HG23 0.08 0.01 0.05 -0.04 1.22 1.32 3gh5A1 ASP 426 H 0.11 0.36 -0.35 -0.55 8.40 7.97 3gh5A1 ASP 426 HA 0.05 0.05 0.51 -0.75 4.63 4.49 3gh5A1 ASP 426 HB2 0.19 0.12 0.11 -0.04 2.71 3.10 3gh5A1 ASP 426 HB3 0.08 -0.01 0.02 -0.04 2.70 2.74 3gh5A1 CYS 427 H 0.12 0.37 -0.22 -0.55 8.50 8.22 3gh5A1 CYS 427 HA 0.01 0.08 0.36 -0.75 4.58 4.27 3gh5A1 CYS 427 HB2 0.08 0.04 0.03 -0.04 2.97 3.07 3gh5A1 CYS 427 HB3 0.02 -0.12 0.01 -0.04 2.97 2.84 3gh5A1 ILE 428 H 0.06 0.34 -0.10 -0.55 8.25 8.00 3gh5A1 ILE 428 HA 0.02 0.14 0.62 -0.75 4.18 4.20 3gh5A1 ILE 428 HB 0.03 -0.04 -0.29 -0.04 1.89 1.55 3gh5A1 ILE 428 HG12 0.03 -0.02 -0.35 -0.04 1.49 1.10 3gh5A1 ILE 428 HG13 0.02 0.08 -0.02 -0.04 1.21 1.25 3gh5A1 ILE 428 HG23 0.05 -0.02 -0.15 -0.04 0.93 0.77 3gh5A1 ILE 428 HD13 0.02 -0.02 -0.15 -0.04 0.88 0.70 3gh5A1 LYS 429 H 0.02 0.20 0.08 -0.55 8.42 8.17 3gh5A1 LYS 429 HA 0.03 0.15 0.90 -0.75 4.32 4.65 3gh5A1 LYS 429 HB2 0.01 -0.00 0.04 -0.04 1.87 1.88 3gh5A1 LYS 429 HB3 0.02 -0.02 0.04 -0.04 1.79 1.78 3gh5A1 LYS 429 HG2 0.02 0.01 -0.19 -0.04 1.46 1.26 3gh5A1 LYS 429 HG3 0.01 -0.03 -0.03 -0.04 1.46 1.37 3gh5A1 LYS 429 HD2 0.02 -0.07 -0.00 -0.04 1.69 1.59 3gh5A1 LYS 429 HD3 0.03 0.07 0.01 -0.04 1.68 1.74 3gh5A1 LYS 429 HE2 0.02 -0.09 -0.08 -0.04 2.99 2.80 3gh5A1 LYS 429 HE3 0.02 0.27 -0.04 -0.04 2.99 3.21 3gh5A1 GLY 430 H 0.03 0.17 0.15 -0.55 8.43 8.22 3gh5A1 GLY 430 HA2 0.02 0.02 0.30 -0.51 4.01 3.84 3gh5A1 GLY 430 HA3 0.01 0.08 0.34 -0.51 4.01 3.93 3gh5A1 ALA 431 H 0.04 0.05 -0.27 -0.55 8.40 7.66 3gh5A1 ALA 431 HA 0.03 0.24 0.79 -0.75 4.34 4.64 3gh5A1 ALA 431 HB3 0.04 0.02 -0.22 -0.04 1.41 1.21 3gh5A1 ASN 432 H 0.03 0.26 0.01 -0.55 8.53 8.29 3gh5A1 ASN 432 HA 0.05 0.13 0.71 -0.75 4.76 4.89 3gh5A1 ASN 432 HB2 0.02 0.04 0.02 -0.04 2.88 2.92 3gh5A1 ASN 432 HB3 0.02 0.06 0.05 -0.04 2.79 2.88 3gh5A1 ASN 432 HD21 -0.01 -0.00 -0.04 -0.04 7.03 6.94 3gh5A1 ASN 432 HD22 -0.01 0.09 -0.05 -0.04 7.74 7.73 3gh5A1 ILE 433 H 0.11 0.27 -0.03 -0.55 8.25 8.06 3gh5A1 ILE 433 HA 0.11 0.11 0.79 -0.75 4.18 4.43 3gh5A1 ILE 433 HB 0.27 0.02 0.12 -0.04 1.89 2.26 3gh5A1 ILE 433 HG12 0.07 -0.02 -0.15 -0.04 1.49 1.34 3gh5A1 ILE 433 HG13 0.09 0.01 -0.21 -0.04 1.21 1.07 3gh5A1 ILE 433 HG23 -0.03 -0.01 -0.07 -0.04 0.93 0.78 3gh5A1 ILE 433 HD13 0.09 0.03 -0.15 -0.04 0.88 0.80 3gh5A1 TYR 434 H 0.19 0.40 0.34 -0.55 8.29 8.67 3gh5A1 TYR 434 HA 0.10 0.06 0.49 -0.75 4.56 4.45 3gh5A1 TYR 434 HB2 -0.02 -0.07 0.01 -0.04 3.06 2.94 3gh5A1 TYR 434 HB3 -0.09 -0.00 -0.14 -0.04 2.98 2.71 3gh5A1 TYR 434 HD2 -0.10 -0.02 -0.08 -0.04 7.15 6.90 3gh5A1 TYR 434 HE2 -0.05 0.00 -0.12 -0.04 6.85 6.65 3gh5A1 GLY 435 H 0.06 0.30 0.19 -0.55 8.43 8.44 3gh5A1 GLY 435 HA2 -0.18 0.08 0.27 -0.51 4.01 3.66 3gh5A1 GLY 435 HA3 0.06 0.31 0.77 -0.51 4.01 4.65 3gh5A1 VAL 436 H 0.11 0.77 0.34 -0.55 8.24 8.92 3gh5A1 VAL 436 HA 0.12 0.16 0.85 -0.75 4.13 4.52 3gh5A1 VAL 436 HB 0.08 0.05 0.13 -0.04 2.12 2.33 3gh5A1 VAL 436 HG13 0.35 0.01 -0.16 -0.04 0.97 1.12 3gh5A1 VAL 436 HG23 -0.15 -0.00 -0.16 -0.04 0.95 0.60 3gh5A1 GLU 437 H 0.18 0.64 0.17 -0.55 8.60 9.05 3gh5A1 GLU 437 HA 0.19 0.19 0.57 -0.75 4.29 4.48 3gh5A1 GLU 437 HB2 0.24 -0.02 -0.28 -0.04 2.09 1.98 3gh5A1 GLU 437 HB3 0.16 -0.07 -0.18 -0.04 1.99 1.86 3gh5A1 GLU 437 HG2 0.10 0.12 -0.51 -0.04 2.34 2.01 3gh5A1 GLU 437 HG3 0.21 -0.07 -0.40 -0.04 2.34 2.04 3gh5A1 SER 438 H 0.10 0.68 0.19 -0.55 8.46 8.88 3gh5A1 SER 438 HA 0.04 0.21 0.75 -0.75 4.49 4.73 3gh5A1 SER 438 HB2 0.02 -0.03 0.26 -0.04 3.95 4.16 3gh5A1 SER 438 HB3 -0.01 -0.01 0.07 -0.04 3.93 3.93 3gh5A1 THR 439 H -0.14 0.68 0.37 -0.55 8.28 8.65 3gh5A1 THR 439 HA -0.37 0.12 1.00 -0.75 4.39 4.39 3gh5A1 THR 439 HB -1.05 -0.10 -0.08 -0.04 4.32 3.04 3gh5A1 THR 439 HG23 0.06 0.05 -0.20 -0.04 1.22 1.08 3gh5A1 LEU 440 H -0.40 0.75 0.18 -0.55 8.37 8.35 3gh5A1 LEU 440 HA -0.06 0.09 0.98 -0.75 4.35 4.61 3gh5A1 LEU 440 HB2 -0.09 0.04 -0.04 -0.04 1.64 1.51 3gh5A1 LEU 440 HB3 -0.10 -0.01 0.25 -0.04 1.64 1.74 3gh5A1 LEU 440 HG 0.25 0.07 -0.18 -0.04 1.64 1.73 3gh5A1 LEU 440 HD13 -0.01 -0.01 -0.24 -0.04 0.93 0.62 3gh5A1 LEU 440 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.69 3gh5A1 TRP 441 H -0.05 0.15 -0.08 -0.55 7.97 7.44 3gh5A1 TRP 441 HA -0.08 0.02 0.61 -0.75 4.62 4.42 3gh5A1 TRP 441 HB2 -0.04 0.02 0.04 -0.04 3.23 3.22 3gh5A1 TRP 441 HB3 -0.09 -0.08 0.07 -0.04 3.23 3.09 3gh5A1 TRP 441 HD1 -0.26 0.04 -0.03 -0.04 7.22 6.93 3gh5A1 TRP 441 HE1 -1.08 0.09 -0.06 -0.04 10.20 9.10 3gh5A1 TRP 441 HE3 -0.35 -0.06 0.03 -0.04 7.59 7.16 3gh5A1 TRP 441 HZ2 -1.10 0.03 -0.09 -0.04 7.44 6.24 3gh5A1 TRP 441 HZ3 -1.47 -0.01 -0.03 -0.04 7.13 5.59 3gh5A1 TRP 441 HH2 -0.76 -0.02 -0.07 -0.04 7.19 6.30 3gh5A1 THR 442 H 0.26 0.04 0.12 -0.55 8.28 8.15 3gh5A1 THR 442 HA 0.04 0.28 1.03 -0.75 4.39 4.98 3gh5A1 THR 442 HB 0.53 0.22 0.16 -0.04 4.32 5.18 3gh5A1 THR 442 HG23 0.36 0.03 -0.18 -0.04 1.22 1.39 3gh5A1 GLU 443 H 0.04 0.05 -0.08 -0.55 8.60 8.06 3gh5A1 GLU 443 HA 0.08 0.08 0.35 -0.75 4.29 4.04 3gh5A1 GLU 443 HB2 -0.05 -0.05 0.02 -0.04 2.09 1.97 3gh5A1 GLU 443 HB3 -0.01 0.08 -0.07 -0.04 1.99 1.95 3gh5A1 GLU 443 HG2 -0.02 0.06 0.04 -0.04 2.34 2.38 3gh5A1 GLU 443 HG3 0.01 0.03 0.06 -0.04 2.34 2.40 3gh5A1 THR 444 H -0.42 -0.01 -0.41 -0.55 8.28 6.89 3gh5A1 THR 444 HA -0.00 0.31 0.81 -0.75 4.39 4.76 3gh5A1 THR 444 HB -0.08 0.10 0.14 -0.04 4.32 4.43 3gh5A1 THR 444 HG23 -0.06 0.03 -0.23 -0.04 1.22 0.92 3gh5A1 PHE 445 H -0.06 0.27 -0.29 -0.55 8.34 7.72 3gh5A1 PHE 445 HA 0.05 0.09 0.86 -0.75 4.62 4.87 3gh5A1 PHE 445 HB2 0.24 0.04 0.01 -0.04 3.15 3.39 3gh5A1 PHE 445 HB3 0.22 -0.03 -0.14 -0.04 3.06 3.07 3gh5A1 PHE 445 HD2 0.01 0.09 -0.21 -0.04 7.28 7.12 3gh5A1 PHE 445 HE2 0.05 -0.02 -0.12 -0.04 7.38 7.25 3gh5A1 PHE 445 HZ 0.07 0.16 0.03 -0.04 7.32 7.54 3gh5A1 VAL 446 H 0.82 -0.01 0.15 -0.55 8.24 8.65 3gh5A1 VAL 446 HA -0.27 0.26 0.72 -0.75 4.13 4.08 3gh5A1 VAL 446 HB 0.13 -0.07 0.06 -0.04 2.12 2.20 3gh5A1 VAL 446 HG13 -0.02 0.01 -0.06 -0.04 0.97 0.86 3gh5A1 VAL 446 HG23 -0.26 0.04 -0.20 -0.04 0.95 0.49 3gh5A1 THR 447 H 0.11 -0.05 0.16 -0.55 8.28 7.95 3gh5A1 THR 447 HA 0.11 0.32 0.81 -0.75 4.39 4.87 3gh5A1 THR 447 HB -0.10 -0.02 0.13 -0.04 4.32 4.29 3gh5A1 THR 447 HG23 -0.14 0.05 -0.05 -0.04 1.22 1.04 3gh5A1 GLN 448 H 0.10 0.22 0.17 -0.55 8.47 8.41 3gh5A1 GLN 448 HA 0.03 0.11 0.44 -0.75 4.36 4.18 3gh5A1 GLN 448 HB2 0.08 0.01 0.14 -0.04 2.15 2.33 3gh5A1 GLN 448 HB3 0.03 -0.00 0.14 -0.04 2.02 2.15 3gh5A1 GLN 448 HG2 0.02 0.03 -0.22 -0.04 2.40 2.19 3gh5A1 GLN 448 HG3 0.01 0.01 0.03 -0.04 2.39 2.40 3gh5A1 GLN 448 HE21 0.01 0.05 -0.02 -0.04 6.97 6.98 3gh5A1 GLN 448 HE22 0.01 0.03 -0.04 -0.04 7.69 7.65 3gh5A1 ASP 449 H -0.03 0.09 -0.11 -0.55 8.40 7.80 3gh5A1 ASP 449 HA 0.04 0.12 0.42 -0.75 4.63 4.46 3gh5A1 ASP 449 HB2 -0.10 -0.08 0.06 -0.04 2.71 2.54 3gh5A1 ASP 449 HB3 0.01 0.11 0.00 -0.04 2.70 2.79 3gh5A1 HIS 450 H -0.11 0.02 -0.35 -0.55 8.41 7.43 3gh5A1 HIS 450 HA -0.04 0.10 0.43 -0.75 4.63 4.37 3gh5A1 HIS 450 HB2 0.11 0.12 0.12 -0.04 3.26 3.57 3gh5A1 HIS 450 HB3 0.02 0.04 -0.01 -0.04 3.20 3.22 3gh5A1 HIS 450 HD2 -0.07 0.06 -0.05 -0.04 6.97 6.86 3gh5A1 HIS 450 HE1 0.02 0.10 0.06 -0.04 7.75 7.88 3gh5A1 LEU 451 H 0.02 0.35 -0.15 -0.55 8.37 8.05 3gh5A1 LEU 451 HA -0.23 0.02 0.41 -0.75 4.35 3.80 3gh5A1 LEU 451 HB2 -0.08 0.12 0.10 -0.04 1.64 1.74 3gh5A1 LEU 451 HB3 -0.13 -0.01 -0.04 -0.04 1.64 1.42 3gh5A1 LEU 451 HG -0.24 0.10 -0.07 -0.04 1.64 1.39 3gh5A1 LEU 451 HD13 -0.83 -0.01 -0.12 -0.04 0.93 -0.07 3gh5A1 LEU 451 HD23 -0.33 -0.01 -0.15 -0.04 0.89 0.36 3gh5A1 ASP 452 H 0.07 0.54 -0.12 -0.55 8.40 8.34 3gh5A1 ASP 452 HA 0.28 0.00 0.26 -0.75 4.63 4.42 3gh5A1 ASP 452 HB2 0.13 0.16 0.15 -0.04 2.71 3.11 3gh5A1 ASP 452 HB3 0.17 -0.05 -0.31 -0.04 2.70 2.47 3gh5A1 TYR 453 H 0.24 0.46 -0.20 -0.55 8.29 8.24 3gh5A1 TYR 453 HA 0.20 0.05 0.39 -0.75 4.56 4.44 3gh5A1 TYR 453 HB2 0.09 0.12 0.13 -0.04 3.06 3.35 3gh5A1 TYR 453 HB3 0.04 0.03 0.16 -0.04 2.98 3.18 3gh5A1 TYR 453 HD2 0.08 0.10 -0.16 -0.04 7.15 7.12 3gh5A1 TYR 453 HE2 -0.02 -0.04 0.01 -0.04 6.85 6.76 3gh5A1 MET 454 H 0.08 0.37 -0.29 -0.55 8.47 8.08 3gh5A1 MET 454 HA 0.20 0.06 0.46 -0.75 4.52 4.48 3gh5A1 MET 454 HB2 -0.40 0.02 0.08 -0.04 2.15 1.80 3gh5A1 MET 454 HB3 -0.15 0.18 0.02 -0.04 2.03 2.04 3gh5A1 MET 454 HG2 -0.09 0.04 -0.03 -0.04 2.63 2.51 3gh5A1 MET 454 HG3 -0.80 -0.12 -0.09 -0.04 2.56 1.51 3gh5A1 MET 454 HE3 0.27 -0.01 -0.31 -0.04 2.10 2.01 3gh5A1 LEU 455 H 0.01 0.57 -0.06 -0.55 8.37 8.34 3gh5A1 LEU 455 HA -0.17 0.04 0.55 -0.75 4.35 4.02 3gh5A1 LEU 455 HB2 -0.04 0.12 0.02 -0.04 1.64 1.69 3gh5A1 LEU 455 HB3 -0.54 -0.06 -0.02 -0.04 1.64 0.98 3gh5A1 LEU 455 HG -0.10 0.04 -0.02 -0.04 1.64 1.52 3gh5A1 LEU 455 HD13 -0.00 -0.01 -0.10 -0.04 0.93 0.77 3gh5A1 LEU 455 HD23 -0.11 -0.01 -0.08 -0.04 0.89 0.64 3gh5A1 TYR 456 H 0.19 0.61 -0.25 -0.55 8.29 8.29 3gh5A1 TYR 456 HA 0.07 -0.01 0.89 -0.75 4.56 4.76 3gh5A1 TYR 456 HB2 0.16 0.12 0.03 -0.04 3.06 3.33 3gh5A1 TYR 456 HB3 0.08 0.01 -0.05 -0.04 2.98 2.98 3gh5A1 TYR 456 HD2 -0.02 0.01 -0.08 -0.04 7.15 7.02 3gh5A1 TYR 456 HE2 -0.06 0.03 -0.15 -0.04 6.85 6.63 3gh5A1 PRO 457 HA 0.14 0.10 0.35 -0.51 4.44 4.52 3gh5A1 PRO 457 HB2 0.16 -0.02 0.06 -0.04 2.28 2.44 3gh5A1 PRO 457 HB3 0.03 0.10 0.08 -0.04 2.02 2.19 3gh5A1 PRO 457 HG2 0.21 -0.12 0.10 -0.04 2.03 2.18 3gh5A1 PRO 457 HG3 0.06 0.07 0.14 -0.04 2.03 2.26 3gh5A1 PRO 457 HD2 0.37 -0.01 0.19 -0.04 3.68 4.19 3gh5A1 PRO 457 HD3 0.18 0.42 0.74 -0.04 3.65 4.95 3gh5A1 LYS 458 H 0.17 0.26 -0.26 -0.55 8.42 8.03 3gh5A1 LYS 458 HA 0.13 -0.05 0.20 -0.75 4.32 3.85 3gh5A1 LYS 458 HB2 -0.07 0.21 0.12 -0.04 1.87 2.09 3gh5A1 LYS 458 HB3 -0.05 -0.02 -0.05 -0.04 1.79 1.62 3gh5A1 LYS 458 HG2 -0.09 -0.20 -0.13 -0.04 1.46 1.00 3gh5A1 LYS 458 HG3 -0.31 0.06 0.01 -0.04 1.46 1.19 3gh5A1 LYS 458 HD2 -0.20 -0.06 0.02 -0.04 1.69 1.41 3gh5A1 LYS 458 HD3 -0.24 -0.03 -0.10 -0.04 1.68 1.27 3gh5A1 LYS 458 HE2 -0.46 0.14 0.01 -0.04 2.99 2.64 3gh5A1 LYS 458 HE3 -1.70 -0.24 0.06 -0.04 2.99 1.07 3gh5A1 LEU 459 H -0.20 0.80 -0.00 -0.55 8.37 8.41 3gh5A1 LEU 459 HA -0.04 -0.01 0.43 -0.75 4.35 3.97 3gh5A1 LEU 459 HB2 -0.28 -0.06 0.15 -0.04 1.64 1.40 3gh5A1 LEU 459 HB3 -0.55 0.10 0.05 -0.04 1.64 1.20 3gh5A1 LEU 459 HG -0.05 0.03 -0.13 -0.04 1.64 1.46 3gh5A1 LEU 459 HD13 -0.00 -0.02 0.03 -0.04 0.93 0.89 3gh5A1 LEU 459 HD23 -0.07 -0.00 -0.07 -0.04 0.89 0.71 3gh5A1 LEU 460 H -0.08 0.25 -0.28 -0.55 8.37 7.72 3gh5A1 LEU 460 HA -0.08 0.10 0.43 -0.75 4.35 4.04 3gh5A1 LEU 460 HB2 0.17 0.05 0.09 -0.04 1.64 1.91 3gh5A1 LEU 460 HB3 -0.02 0.01 0.01 -0.04 1.64 1.60 3gh5A1 LEU 460 HG -0.06 -0.08 0.07 -0.04 1.64 1.52 3gh5A1 LEU 460 HD13 -0.13 -0.01 0.00 -0.04 0.93 0.76 3gh5A1 LEU 460 HD23 -0.83 0.02 -0.08 -0.04 0.89 -0.05 3gh5A1 SER 461 H 0.20 0.31 -0.18 -0.55 8.46 8.23 3gh5A1 SER 461 HA -0.13 -0.03 0.41 -0.75 4.49 3.99 3gh5A1 SER 461 HB2 0.19 0.18 0.02 -0.04 3.95 4.30 3gh5A1 SER 461 HB3 0.23 -0.01 -0.57 -0.04 3.93 3.54 3gh5A1 ASN 462 H 0.12 0.38 -0.04 -0.55 8.53 8.45 3gh5A1 ASN 462 HA 0.20 0.08 0.42 -0.75 4.76 4.70 3gh5A1 ASN 462 HB2 0.10 0.05 0.17 -0.04 2.88 3.16 3gh5A1 ASN 462 HB3 0.18 -0.08 -0.04 -0.04 2.79 2.81 3gh5A1 ASN 462 HD21 0.27 0.32 0.11 -0.04 7.03 7.69 3gh5A1 ASN 462 HD22 0.41 0.18 0.05 -0.04 7.74 8.34 3gh5A1 ALA 463 H 0.07 0.66 -0.18 -0.55 8.40 8.41 3gh5A1 ALA 463 HA 0.11 -0.04 0.39 -0.75 4.34 4.05 3gh5A1 ALA 463 HB3 0.11 0.08 0.11 -0.04 1.41 1.67 3gh5A1 GLU 464 H 0.06 0.50 -0.17 -0.55 8.60 8.44 3gh5A1 GLU 464 HA 0.16 0.00 0.60 -0.75 4.29 4.30 3gh5A1 GLU 464 HB2 0.20 0.01 0.17 -0.04 2.09 2.42 3gh5A1 GLU 464 HB3 -0.00 0.13 0.20 -0.04 1.99 2.28 3gh5A1 GLU 464 HG2 0.10 0.03 -0.07 -0.04 2.34 2.35 3gh5A1 GLU 464 HG3 0.16 -0.05 0.16 -0.04 2.34 2.57 3gh5A1 VAL 465 H -0.17 0.52 -0.03 -0.55 8.24 8.01 3gh5A1 VAL 465 HA -0.39 0.03 0.51 -0.75 4.13 3.53 3gh5A1 VAL 465 HB -0.46 0.09 0.16 -0.04 2.12 1.87 3gh5A1 VAL 465 HG13 -1.45 -0.05 -0.10 -0.04 0.97 -0.68 3gh5A1 VAL 465 HG23 -0.89 0.04 0.10 -0.04 0.95 0.16 3gh5A1 GLY 466 H -0.00 0.42 -0.31 -0.55 8.43 8.00 3gh5A1 GLY 466 HA2 0.03 -0.07 0.46 -0.51 4.01 3.92 3gh5A1 GLY 466 HA3 0.10 0.01 0.31 -0.51 4.01 3.92 3gh5A1 TRP 467 H 0.25 0.33 -0.10 -0.55 7.97 7.90 3gh5A1 TRP 467 HA 0.05 -0.04 0.65 -0.75 4.62 4.53 3gh5A1 TRP 467 HB2 0.05 0.09 0.08 -0.04 3.23 3.41 3gh5A1 TRP 467 HB3 0.04 -0.01 0.17 -0.04 3.23 3.39 3gh5A1 TRP 467 HD1 0.03 0.10 -0.35 -0.04 7.22 6.95 3gh5A1 TRP 467 HE1 0.01 -0.17 -0.09 -0.04 10.20 9.90 3gh5A1 TRP 467 HE3 0.05 0.10 0.00 -0.04 7.59 7.70 3gh5A1 TRP 467 HZ2 0.07 -0.13 -0.26 -0.04 7.44 7.07 3gh5A1 TRP 467 HZ3 0.06 0.03 -0.01 -0.04 7.13 7.18 3gh5A1 TRP 467 HH2 0.14 0.17 -0.12 -0.04 7.19 7.34 3gh5A1 THR 468 H 0.21 0.58 0.20 -0.55 8.28 8.72 3gh5A1 THR 468 HA 0.14 0.05 0.49 -0.75 4.39 4.31 3gh5A1 THR 468 HB 0.09 0.05 0.08 -0.04 4.32 4.50 3gh5A1 THR 468 HG23 0.11 0.02 -0.15 -0.04 1.22 1.16 3gh5A1 ALA 469 H -0.02 0.12 0.16 -0.55 8.40 8.11 3gh5A1 ALA 469 HA -0.09 0.09 0.44 -0.75 4.34 4.03 3gh5A1 ALA 469 HB3 -0.07 -0.00 0.12 -0.04 1.41 1.43 3gh5A1 ARG 470 H -0.06 0.13 0.21 -0.55 8.46 8.19 3gh5A1 ARG 470 HA -0.08 0.17 0.41 -0.75 4.34 4.09 3gh5A1 ARG 470 HB2 -0.05 0.04 0.20 -0.04 1.90 2.05 3gh5A1 ARG 470 HB3 -0.04 -0.06 0.14 -0.04 1.80 1.80 3gh5A1 ARG 470 HG2 -0.04 0.03 -0.12 -0.04 1.67 1.50 3gh5A1 ARG 470 HG3 -0.08 0.06 0.07 -0.04 1.67 1.68 3gh5A1 ARG 470 HD2 -0.02 -0.04 0.03 -0.04 3.22 3.15 3gh5A1 ARG 470 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.13 3gh5A1 GLY 471 H -0.03 0.04 -0.19 -0.55 8.43 7.71 3gh5A1 GLY 471 HA2 -0.01 0.05 0.37 -0.51 4.01 3.92 3gh5A1 GLY 471 HA3 -0.01 -0.01 0.27 -0.51 4.01 3.75 3gh5A1 ASP 472 H 0.00 0.39 -0.47 -0.55 8.40 7.78 3gh5A1 ASP 472 HA 0.04 0.12 0.76 -0.75 4.63 4.79 3gh5A1 ASP 472 HB2 0.03 -0.02 0.03 -0.04 2.71 2.71 3gh5A1 ASP 472 HB3 0.07 0.03 0.05 -0.04 2.70 2.80 3gh5A1 ARG 473 H 0.02 0.41 -0.20 -0.55 8.46 8.14 3gh5A1 ARG 473 HA 0.18 0.10 0.84 -0.75 4.34 4.71 3gh5A1 ARG 473 HB2 -0.08 0.06 0.13 -0.04 1.90 1.97 3gh5A1 ARG 473 HB3 -0.14 -0.08 -0.04 -0.04 1.80 1.50 3gh5A1 ARG 473 HG2 0.03 -0.04 -0.17 -0.04 1.67 1.46 3gh5A1 ARG 473 HG3 -0.06 0.17 -0.33 -0.04 1.67 1.41 3gh5A1 ARG 473 HD2 -0.51 -0.10 -0.15 -0.04 3.22 2.41 3gh5A1 ARG 473 HD3 -0.20 0.30 -0.16 -0.04 3.22 3.12 3gh5A1 ASN 474 H 0.36 0.25 0.10 -0.55 8.53 8.69 3gh5A1 ASN 474 HA 0.22 0.10 0.71 -0.75 4.76 5.03 3gh5A1 ASN 474 HB2 0.10 0.24 -0.32 -0.04 2.88 2.86 3gh5A1 ASN 474 HB3 0.10 0.01 0.01 -0.04 2.79 2.86 3gh5A1 ASN 474 HD21 0.06 -0.02 0.02 -0.04 7.03 7.05 3gh5A1 ASN 474 HD22 0.06 0.14 0.01 -0.04 7.74 7.92 3gh5A1 TRP 475 H 0.40 0.23 0.14 -0.55 7.97 8.18 3gh5A1 TRP 475 HA -0.21 0.12 0.39 -0.75 4.62 4.16 3gh5A1 TRP 475 HB2 0.17 0.09 0.11 -0.04 3.23 3.55 3gh5A1 TRP 475 HB3 0.08 -0.01 0.16 -0.04 3.23 3.42 3gh5A1 TRP 475 HD1 0.05 -0.01 -0.07 -0.04 7.22 7.15 3gh5A1 TRP 475 HE1 0.08 0.08 -0.02 -0.04 10.20 10.31 3gh5A1 TRP 475 HE3 -0.20 0.06 0.02 -0.04 7.59 7.43 3gh5A1 TRP 475 HZ2 0.10 0.26 -0.10 -0.04 7.44 7.66 3gh5A1 TRP 475 HZ3 0.25 0.15 -0.22 -0.04 7.13 7.27 3gh5A1 TRP 475 HH2 0.15 -0.06 -0.23 -0.04 7.19 7.00 3gh5A1 ASP 476 H 0.11 0.12 -0.05 -0.55 8.40 8.03 3gh5A1 ASP 476 HA -0.32 0.07 0.43 -0.75 4.63 4.05 3gh5A1 ASP 476 HB2 0.01 0.00 0.06 -0.04 2.71 2.74 3gh5A1 ASP 476 HB3 -0.02 0.07 0.02 -0.04 2.70 2.73 3gh5A1 ASP 477 H -0.04 0.06 -0.31 -0.55 8.40 7.55 3gh5A1 ASP 477 HA -0.09 0.07 0.50 -0.75 4.63 4.35 3gh5A1 ASP 477 HB2 0.01 -0.03 0.08 -0.04 2.71 2.72 3gh5A1 ASP 477 HB3 0.03 0.11 0.16 -0.04 2.70 2.96 3gh5A1 PHE 478 H -0.11 0.56 0.07 -0.55 8.34 8.30 3gh5A1 PHE 478 HA -0.26 0.09 0.39 -0.75 4.62 4.09 3gh5A1 PHE 478 HB2 -0.55 0.02 0.12 -0.04 3.15 2.69 3gh5A1 PHE 478 HB3 -0.92 -0.03 0.16 -0.04 3.06 2.23 3gh5A1 PHE 478 HD2 -0.32 -0.02 -0.08 -0.04 7.28 6.83 3gh5A1 PHE 478 HE2 0.08 0.01 -0.11 -0.04 7.38 7.32 3gh5A1 PHE 478 HZ 0.02 -0.05 -0.34 -0.04 7.32 6.91 3gh5A1 LYS 479 H -0.89 0.79 -0.04 -0.55 8.42 7.73 3gh5A1 LYS 479 HA -0.85 -0.04 0.40 -0.75 4.32 3.08 3gh5A1 LYS 479 HB2 -2.21 -0.01 0.10 -0.04 1.87 -0.29 3gh5A1 LYS 479 HB3 -0.76 0.11 0.16 -0.04 1.79 1.25 3gh5A1 LYS 479 HG2 -0.28 -0.02 -0.17 -0.04 1.46 0.95 3gh5A1 LYS 479 HG3 -0.28 -0.10 0.08 -0.04 1.46 1.11 3gh5A1 LYS 479 HD2 0.27 0.10 0.07 -0.04 1.69 2.09 3gh5A1 LYS 479 HD3 -0.24 -0.01 0.01 -0.04 1.68 1.40 3gh5A1 LYS 479 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.91 3gh5A1 LYS 479 HE3 0.17 -0.13 -0.02 -0.04 2.99 2.96 3gh5A1 GLU 480 H -0.36 0.47 -0.16 -0.55 8.60 8.00 3gh5A1 GLU 480 HA -0.25 -0.03 0.44 -0.75 4.29 3.69 3gh5A1 GLU 480 HB2 -0.18 -0.03 0.14 -0.04 2.09 1.98 3gh5A1 GLU 480 HB3 -0.17 0.12 0.18 -0.04 1.99 2.09 3gh5A1 GLU 480 HG2 -0.11 -0.01 0.01 -0.04 2.34 2.20 3gh5A1 GLU 480 HG3 -0.13 0.05 -0.12 -0.04 2.34 2.10 3gh5A1 ARG 481 H -0.27 0.56 -0.05 -0.55 8.46 8.15 3gh5A1 ARG 481 HA -0.15 0.05 0.47 -0.75 4.34 3.96 3gh5A1 ARG 481 HB2 -0.30 0.04 0.16 -0.04 1.90 1.76 3gh5A1 ARG 481 HB3 -0.21 0.03 -0.05 -0.04 1.80 1.53 3gh5A1 ARG 481 HG2 -0.07 0.00 0.04 -0.04 1.67 1.60 3gh5A1 ARG 481 HG3 -0.10 0.02 0.05 -0.04 1.67 1.60 3gh5A1 ARG 481 HD2 -0.05 0.17 -0.01 -0.04 3.22 3.30 3gh5A1 ARG 481 HD3 -0.01 -0.02 0.00 -0.04 3.22 3.15 3gh5A1 LEU 482 H -0.54 0.57 -0.22 -0.55 8.37 7.63 3gh5A1 LEU 482 HA -0.33 0.07 0.42 -0.75 4.35 3.75 3gh5A1 LEU 482 HB2 -0.97 0.03 0.04 -0.04 1.64 0.71 3gh5A1 LEU 482 HB3 -0.50 0.06 0.17 -0.04 1.64 1.33 3gh5A1 LEU 482 HG -0.19 -0.04 -0.17 -0.04 1.64 1.20 3gh5A1 LEU 482 HD13 -0.21 -0.00 0.01 -0.04 0.93 0.69 3gh5A1 LEU 482 HD23 -0.04 -0.03 -0.04 -0.04 0.89 0.73 3gh5A1 ILE 483 H -0.25 0.55 -0.01 -0.55 8.25 7.99 3gh5A1 ILE 483 HA -0.10 -0.07 0.41 -0.75 4.18 3.66 3gh5A1 ILE 483 HB -0.19 0.22 0.20 -0.04 1.89 2.08 3gh5A1 ILE 483 HG12 -0.05 -0.16 0.03 -0.04 1.49 1.26 3gh5A1 ILE 483 HG13 -0.19 0.22 0.12 -0.04 1.21 1.33 3gh5A1 ILE 483 HG23 -0.13 -0.01 -0.11 -0.04 0.93 0.64 3gh5A1 ILE 483 HD13 -0.44 -0.03 -0.01 -0.04 0.88 0.37 3gh5A1 GLU 484 H -0.14 0.50 -0.18 -0.55 8.60 8.24 3gh5A1 GLU 484 HA -0.07 -0.02 0.42 -0.75 4.29 3.87 3gh5A1 GLU 484 HB2 -0.08 0.13 0.17 -0.04 2.09 2.27 3gh5A1 GLU 484 HB3 -0.05 0.05 0.06 -0.04 1.99 2.01 3gh5A1 GLU 484 HG2 -0.07 -0.06 0.04 -0.04 2.34 2.21 3gh5A1 GLU 484 HG3 -0.11 0.05 0.09 -0.04 2.34 2.33 3gh5A1 HIS 485 H -0.03 0.31 -0.35 -0.55 8.41 7.79 3gh5A1 HIS 485 HA -0.08 0.09 0.48 -0.75 4.63 4.36 3gh5A1 HIS 485 HB2 -0.15 0.16 0.09 -0.04 3.26 3.33 3gh5A1 HIS 485 HB3 -0.17 0.01 0.07 -0.04 3.20 3.06 3gh5A1 HIS 485 HD2 -0.07 -0.11 -0.09 -0.04 6.97 6.65 3gh5A1 HIS 485 HE1 0.06 0.13 0.06 -0.04 7.75 7.96 3gh5A1 THR 486 H -0.09 0.44 -0.34 -0.55 8.28 7.74 3gh5A1 THR 486 HA -0.28 -0.07 0.29 -0.75 4.39 3.57 3gh5A1 THR 486 HB -0.07 0.13 0.14 -0.04 4.32 4.47 3gh5A1 THR 486 HG23 -0.11 -0.05 -0.07 -0.04 1.22 0.95 3gh5A1 PRO 487 HA -0.01 -0.00 0.41 -0.51 4.44 4.33 3gh5A1 PRO 487 HB2 -0.06 0.04 -0.04 -0.04 2.28 2.18 3gh5A1 PRO 487 HB3 -0.03 -0.01 0.06 -0.04 2.02 2.00 3gh5A1 PRO 487 HG2 -0.05 0.12 0.08 -0.04 2.03 2.14 3gh5A1 PRO 487 HG3 -0.03 -0.03 0.05 -0.04 2.03 1.98 3gh5A1 PRO 487 HD2 -0.09 0.39 -0.25 -0.04 3.68 3.69 3gh5A1 PRO 487 HD3 -0.06 0.11 0.06 -0.04 3.65 3.72 3gh5A1 ARG 488 H -0.22 0.55 -0.31 -0.55 8.46 7.93 3gh5A1 ARG 488 HA -0.12 -0.07 0.48 -0.75 4.34 3.87 3gh5A1 ARG 488 HB2 -0.79 0.19 0.17 -0.04 1.90 1.43 3gh5A1 ARG 488 HB3 -0.31 -0.01 0.05 -0.04 1.80 1.50 3gh5A1 ARG 488 HG2 -0.17 -0.17 0.07 -0.04 1.67 1.36 3gh5A1 ARG 488 HG3 -0.27 0.02 0.11 -0.04 1.67 1.48 3gh5A1 ARG 488 HD2 -0.61 0.03 0.11 -0.04 3.22 2.71 3gh5A1 ARG 488 HD3 -0.23 0.03 0.05 -0.04 3.22 3.02 3gh5A1 LEU 489 H -0.18 0.37 -0.07 -0.55 8.37 7.95 3gh5A1 LEU 489 HA -0.04 0.04 0.46 -0.75 4.35 4.06 3gh5A1 LEU 489 HB2 -0.50 0.12 0.13 -0.04 1.64 1.34 3gh5A1 LEU 489 HB3 -0.14 -0.08 -0.01 -0.04 1.64 1.37 3gh5A1 LEU 489 HG -0.06 0.13 -0.03 -0.04 1.64 1.65 3gh5A1 LEU 489 HD13 -0.43 -0.03 -0.06 -0.04 0.93 0.37 3gh5A1 LEU 489 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.82 3gh5A1 GLN 490 H 0.04 0.48 -0.10 -0.55 8.47 8.35 3gh5A1 GLN 490 HA 0.22 0.03 0.40 -0.75 4.36 4.25 3gh5A1 GLN 490 HB2 0.06 0.18 0.16 -0.04 2.15 2.50 3gh5A1 GLN 490 HB3 0.09 -0.06 0.01 -0.04 2.02 2.02 3gh5A1 GLN 490 HG2 0.29 -0.03 0.00 -0.04 2.40 2.62 3gh5A1 GLN 490 HG3 0.25 0.14 0.02 -0.04 2.39 2.76 3gh5A1 GLN 490 HE21 0.07 -0.06 -0.14 -0.04 6.97 6.80 3gh5A1 GLN 490 HE22 0.23 0.07 -0.12 -0.04 7.69 7.82 3gh5A1 ASN 491 H -0.00 0.60 -0.17 -0.55 8.53 8.42 3gh5A1 ASN 491 HA 0.01 -0.02 0.30 -0.75 4.76 4.29 3gh5A1 ASN 491 HB2 -0.03 0.13 0.09 -0.04 2.88 3.02 3gh5A1 ASN 491 HB3 -0.01 -0.07 -0.15 -0.04 2.79 2.51 3gh5A1 ASN 491 HD21 0.00 0.01 -0.16 -0.04 7.03 6.84 3gh5A1 ASN 491 HD22 -0.01 -0.27 -0.02 -0.04 7.74 7.40 3gh5A1 LYS 492 H -0.01 0.39 -0.37 -0.55 8.42 7.88 3gh5A1 LYS 492 HA -0.03 0.20 0.57 -0.75 4.32 4.30 3gh5A1 LYS 492 HB2 -0.03 0.04 0.11 -0.04 1.87 1.95 3gh5A1 LYS 492 HB3 -0.04 -0.11 0.07 -0.04 1.79 1.67 3gh5A1 LYS 492 HG2 -0.05 0.06 0.03 -0.04 1.46 1.46 3gh5A1 LYS 492 HG3 -0.05 0.14 0.03 -0.04 1.46 1.53 3gh5A1 LYS 492 HD2 0.01 -0.07 -0.08 -0.04 1.69 1.51 3gh5A1 LYS 492 HD3 -0.03 -0.07 -0.02 -0.04 1.68 1.53 3gh5A1 LYS 492 HE2 -0.09 0.02 -0.03 -0.04 2.99 2.85 3gh5A1 LYS 492 HE3 -0.06 -0.02 -0.08 -0.04 2.99 2.79 3gh5A1 GLY 493 H 0.02 0.51 -0.45 -0.55 8.43 7.97 3gh5A1 GLY 493 HA2 0.02 0.03 0.25 -0.51 4.01 3.81 3gh5A1 GLY 493 HA3 0.01 -0.00 0.48 -0.51 4.01 3.99 3gh5A1 ILE 494 H 0.04 0.47 -0.13 -0.55 8.25 8.09 3gh5A1 ILE 494 HA 0.01 0.01 0.48 -0.75 4.18 3.93 3gh5A1 ILE 494 HB 0.06 0.04 0.05 -0.04 1.89 2.01 3gh5A1 ILE 494 HG12 -0.25 -0.05 -0.10 -0.04 1.49 1.05 3gh5A1 ILE 494 HG13 -0.10 0.07 -0.15 -0.04 1.21 0.99 3gh5A1 ILE 494 HG23 -0.04 -0.05 -0.24 -0.04 0.93 0.57 3gh5A1 ILE 494 HD13 -0.49 -0.00 -0.04 -0.04 0.88 0.31 3gh5A1 LYS 495 H 0.07 0.09 0.04 -0.55 8.42 8.07 3gh5A1 LYS 495 HA -0.06 0.17 0.55 -0.75 4.32 4.23 3gh5A1 LYS 495 HB2 0.07 -0.10 0.21 -0.04 1.87 2.01 3gh5A1 LYS 495 HB3 0.03 0.00 0.12 -0.04 1.79 1.90 3gh5A1 LYS 495 HG2 0.02 0.13 -0.01 -0.04 1.46 1.56 3gh5A1 LYS 495 HG3 0.01 -0.12 0.02 -0.04 1.46 1.33 3gh5A1 LYS 495 HD2 -0.02 -0.05 -0.04 -0.04 1.69 1.54 3gh5A1 LYS 495 HD3 -0.03 0.11 -0.22 -0.04 1.68 1.51 3gh5A1 LYS 495 HE2 0.01 0.17 -0.13 -0.04 2.99 2.99 3gh5A1 LYS 495 HE3 -0.00 -0.09 -0.03 -0.04 2.99 2.82 3gh5A1 PHE 496 H 0.10 0.42 -0.29 -0.55 8.34 8.02 3gh5A1 PHE 496 HA 0.14 0.22 0.23 -0.75 4.62 4.46 3gh5A1 PHE 496 HB2 0.09 0.09 -0.20 -0.04 3.15 3.09 3gh5A1 PHE 496 HB3 0.10 -0.07 -0.13 -0.04 3.06 2.92 3gh5A1 PHE 496 HD2 -0.02 0.14 -0.42 -0.04 7.28 6.93 3gh5A1 PHE 496 HE2 -0.03 -0.01 -0.09 -0.04 7.38 7.21 3gh5A1 PHE 496 HZ -0.01 0.05 -0.03 -0.04 7.32 7.29 3gh5A1 PHE 497 H 0.16 0.67 0.41 -0.55 8.34 9.04 3gh5A1 PHE 497 HA -0.31 0.07 0.83 -0.75 4.62 4.45 3gh5A1 PHE 497 HB2 -1.78 0.04 0.16 -0.04 3.15 1.52 3gh5A1 PHE 497 HB3 -0.79 0.08 0.27 -0.04 3.06 2.58 3gh5A1 PHE 497 HD2 -1.15 0.03 0.02 -0.04 7.28 6.14 3gh5A1 PHE 497 HE2 -0.03 -0.05 -0.03 -0.04 7.38 7.23 3gh5A1 PHE 497 HZ 0.02 -0.05 -0.03 -0.04 7.32 7.20 3gh5A1 ALA 498 H -0.23 0.20 0.03 -0.55 8.40 7.85 3gh5A1 ALA 498 HA 0.00 0.11 0.53 -0.75 4.34 4.22 3gh5A1 ALA 498 HB3 -0.07 0.01 -0.07 -0.04 1.41 1.24 3gh5A1 ASP 499 H -0.36 0.36 0.16 -0.55 8.40 8.02 3gh5A1 ASP 499 HA -0.95 0.10 0.31 -0.75 4.63 3.33 3gh5A1 ASP 499 HB2 -0.12 0.20 0.15 -0.04 2.71 2.90 3gh5A1 ASP 499 HB3 0.04 -0.02 0.17 -0.04 2.70 2.86 3gh5A1 PRO 500 HA -0.07 0.12 0.49 -0.51 4.44 4.47 3gh5A1 PRO 500 HB2 -0.08 -0.00 0.05 -0.04 2.28 2.20 3gh5A1 PRO 500 HB3 -0.09 0.04 0.15 -0.04 2.02 2.08 3gh5A1 PRO 500 HG2 -0.28 -0.02 0.03 -0.04 2.03 1.72 3gh5A1 PRO 500 HG3 -0.16 0.07 0.07 -0.04 2.03 1.97 3gh5A1 PRO 500 HD2 0.22 0.02 0.20 -0.04 3.68 4.08 3gh5A1 PRO 500 HD3 -0.20 0.31 0.23 -0.04 3.65 3.94 3gh5A1 ILE 501 H 0.19 0.04 -0.40 -0.55 8.25 7.53 3gh5A1 ILE 501 HA 0.19 0.18 0.73 -0.75 4.18 4.52 3gh5A1 ILE 501 HB 0.30 -0.04 -0.01 -0.04 1.89 2.10 3gh5A1 ILE 501 HG12 0.26 0.00 -0.01 -0.04 1.49 1.70 3gh5A1 ILE 501 HG13 0.20 0.19 -0.20 -0.04 1.21 1.36 3gh5A1 ILE 501 HG23 0.31 -0.05 -0.14 -0.04 0.93 1.01 3gh5A1 ILE 501 HD13 0.04 -0.01 -0.09 -0.04 0.88 0.79 3gh5A1 VAL 502 H 0.14 0.44 -0.32 -0.55 8.24 7.94 3gh5A1 VAL 502 HA 0.21 0.25 0.65 -0.75 4.13 4.49 3gh5A1 VAL 502 HB 0.06 0.08 0.11 -0.04 2.12 2.33 3gh5A1 VAL 502 HG13 -0.05 0.03 0.01 -0.04 0.97 0.92 3gh5A1 VAL 502 HG23 0.28 -0.03 -0.10 -0.04 0.95 1.06