============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. PHE 21 1.000 44.552 2.101 37.449 -99.200 -91.000 HIS 33 0.900 45.583 0.967 56.735 -99.200 -91.000 HIS 35 0.900 37.848 5.530 51.799 -99.200 -91.000 TYR 63 0.840 32.397 31.961 54.338 -99.200 -91.000 TRP 67 1.040 35.325 21.854 55.162 -99.200 -91.000 TRP6 67 1.020 35.846 21.119 57.351 -99.200 -91.000 TRP 107 1.040 57.932 12.429 22.362 -99.200 -91.000 TRP6 107 1.020 60.203 11.974 21.862 -99.200 -91.000 PHE 113 1.000 56.057 7.653 32.419 -99.200 -91.000 PHE 117 1.000 55.540 3.889 36.877 -99.200 -91.000 PHE 121 1.000 54.119 7.284 40.255 -99.200 -91.000 TYR 131 0.840 42.074 8.350 50.754 -99.200 -91.000 PHE 135 1.000 38.149 10.640 37.022 -99.200 -91.000 TYR 156 0.840 43.513 20.100 47.912 -99.200 -91.000 PHE 180 1.000 39.557 1.335 34.365 -99.200 -91.000 HIS 185 0.900 48.232 12.949 43.171 -99.200 -91.000 TRP 201 1.040 50.491 20.876 49.499 -99.200 -91.000 TRP6 201 1.020 48.228 20.881 48.805 -99.200 -91.000 HIS 212 0.900 49.373 14.451 30.289 -99.200 -91.000 PHE 222 1.000 56.737 10.681 42.811 -99.200 -91.000 TYR 226 0.840 47.489 24.779 43.576 -99.200 -91.000 PHE 237 1.000 39.098 11.429 31.040 -99.200 -91.000 TRP 251 1.040 35.062 13.119 20.308 -99.200 -91.000 TRP6 251 1.020 35.578 13.854 22.497 -99.200 -91.000 HIS 255 0.900 41.718 26.509 28.796 -99.200 -91.000 TYR 270 0.840 22.641 26.651 25.598 -99.200 -91.000 PHE 275 1.000 37.570 34.932 26.650 -99.200 -91.000 TRP 294 1.040 19.866 41.625 25.916 -99.200 -91.000 TRP6 294 1.020 20.595 40.216 24.154 -99.200 -91.000 TRP 305 1.040 35.385 16.727 26.829 -99.200 -91.000 TRP6 305 1.020 35.088 14.648 27.938 -99.200 -91.000 PHE 308 1.000 30.340 19.194 13.084 -99.200 -91.000 HIS 313 0.900 22.153 22.732 14.299 -99.200 -91.000 PHE 323 1.000 30.940 26.761 37.965 -99.200 -91.000 PHE 324 1.000 41.393 24.226 41.000 -99.200 -91.000 PHE 348 1.000 36.424 29.515 49.644 -99.200 -91.000 TYR 360 0.840 39.621 40.696 53.039 -99.200 -91.000 TRP 361 1.040 39.098 36.967 46.977 -99.200 -91.000 TRP6 361 1.020 37.870 35.082 47.713 -99.200 -91.000 TRP 377 1.040 49.746 32.999 50.447 -99.200 -91.000 TRP6 377 1.020 51.102 31.272 49.563 -99.200 -91.000 TRP 382 1.040 48.552 40.495 54.094 -99.200 -91.000 TRP6 382 1.020 46.914 42.060 53.402 -99.200 -91.000 HIS 392 0.900 50.447 31.531 44.791 -99.200 -91.000 PHE 397 1.000 35.880 30.416 42.848 -99.200 -91.000 TRP 411 1.040 24.229 21.935 35.397 -99.200 -91.000 TRP6 411 1.020 26.242 20.896 36.118 -99.200 -91.000 PHE 424 1.000 39.127 30.772 18.718 -99.200 -91.000 TYR 436 0.840 39.521 40.251 15.192 -99.200 -91.000 TRP 441 1.040 35.907 26.043 10.080 -99.200 -91.000 TRP6 441 1.020 34.824 26.260 12.176 -99.200 -91.000 HIS 443 0.900 39.935 35.900 9.309 -99.200 -91.000 PHE 446 1.000 45.684 34.115 10.723 -99.200 -91.000 HIS 460 0.900 52.351 34.057 19.025 -99.200 -91.000 PHE 463 1.000 42.480 27.050 17.540 -99.200 -91.000 PHE 468 1.000 45.723 23.748 29.561 -99.200 -91.000 PHE 469 1.000 47.659 23.161 21.092 -99.200 -91.000 TYR 471 0.840 45.685 16.328 18.289 -99.200 -91.000 PHE 473 1.000 48.530 25.027 17.017 -99.200 -91.000 TYR 476 0.840 43.621 22.220 18.413 -99.200 -91.000 HIS 479 0.900 39.573 16.901 14.609 -99.200 -91.000 TRP 480 1.040 39.876 23.358 16.146 -99.200 -91.000 TRP6 480 1.020 38.135 24.871 16.649 -99.200 -91.000 HIS 486 0.900 30.256 16.210 10.330 -99.200 -91.000 PHE 495 1.000 30.937 36.674 16.603 -99.200 -91.000 HIS 496 0.900 40.942 38.064 19.298 -99.200 -91.000 TRP 499 1.040 36.609 40.681 27.930 -99.200 -91.000 TRP6 499 1.020 34.858 40.826 26.344 -99.200 -91.000 PHE 500 1.000 41.231 42.276 30.048 -99.200 -91.000 PHE 508 1.000 42.249 48.102 31.818 -99.200 -91.000 TRP 510 1.040 33.887 47.279 26.613 -99.200 -91.000 TRP6 510 1.020 32.086 48.390 25.566 -99.200 -91.000 PHE 513 1.000 35.141 44.239 35.512 -99.200 -91.000 TRP 522 1.040 28.021 43.684 16.106 -99.200 -91.000 TRP6 522 1.020 29.935 42.448 15.441 -99.200 -91.000 PHE 524 1.000 20.638 36.362 20.595 -99.200 -91.000 TYR 540 0.840 32.566 40.309 7.697 -99.200 -91.000 HIS 554 0.900 32.984 60.087 24.479 -99.200 -91.000 PHE 561 1.000 34.769 48.569 18.161 -99.200 -91.000 PHE 567 1.000 49.019 46.084 17.324 -99.200 -91.000 TRP 568 1.040 46.001 45.147 13.325 -99.200 -91.000 TRP6 568 1.020 45.477 42.913 13.923 -99.200 -91.000 TYR 578 0.840 53.766 30.784 18.464 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nhxA1 ASN 10 HA -0.00 0.04 0.21 -0.75 4.76 4.25 1nhxA1 ASN 10 HB2 -0.01 0.07 -0.06 -0.04 2.88 2.84 1nhxA1 ASN 10 HB3 -0.00 0.03 0.05 -0.04 2.79 2.82 1nhxA1 ASN 10 HD21 0.00 0.01 0.01 -0.04 7.03 7.01 1nhxA1 ASN 10 HD22 -0.00 0.09 -0.06 -0.04 7.74 7.73 1nhxA1 LEU 11 H -0.00 0.11 0.12 -0.55 8.37 8.06 1nhxA1 LEU 11 HA -0.01 0.27 0.84 -0.75 4.35 4.69 1nhxA1 LEU 11 HB2 -0.01 0.04 0.07 -0.04 1.64 1.70 1nhxA1 LEU 11 HB3 -0.00 -0.05 0.06 -0.04 1.64 1.60 1nhxA1 LEU 11 HG -0.01 -0.04 -0.03 -0.04 1.64 1.51 1nhxA1 LEU 11 HD13 -0.02 0.03 -0.03 -0.04 0.93 0.87 1nhxA1 LEU 11 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.76 1nhxA1 SER 12 H -0.00 0.13 0.08 -0.55 8.46 8.12 1nhxA1 SER 12 HA -0.00 0.03 0.45 -0.75 4.49 4.21 1nhxA1 SER 12 HB2 -0.00 0.05 0.05 -0.04 3.95 4.01 1nhxA1 SER 12 HB3 -0.00 -0.07 0.13 -0.04 3.93 3.95 1nhxA1 ALA 13 H -0.00 0.11 -0.63 -0.55 8.40 7.33 1nhxA1 ALA 13 HA 0.01 0.07 0.42 -0.75 4.34 4.09 1nhxA1 ALA 13 HB3 0.00 0.05 -0.01 -0.04 1.41 1.40 1nhxA1 LYS 14 H -0.00 0.35 -0.36 -0.55 8.42 7.85 1nhxA1 LYS 14 HA 0.04 0.16 0.60 -0.75 4.32 4.37 1nhxA1 LYS 14 HB2 -0.02 0.11 0.09 -0.04 1.87 2.01 1nhxA1 LYS 14 HB3 -0.03 -0.18 -0.02 -0.04 1.79 1.52 1nhxA1 LYS 14 HG2 -0.12 0.19 0.06 -0.04 1.46 1.55 1nhxA1 LYS 14 HG3 -0.04 -0.04 0.01 -0.04 1.46 1.35 1nhxA1 LYS 14 HD2 -0.04 -0.12 -0.03 -0.04 1.69 1.45 1nhxA1 LYS 14 HD3 -0.08 0.12 -0.18 -0.04 1.68 1.49 1nhxA1 LYS 14 HE2 -0.09 -0.03 0.01 -0.04 2.99 2.85 1nhxA1 LYS 14 HE3 -0.05 -0.08 -0.02 -0.04 2.99 2.81 1nhxA1 VAL 15 H 0.01 0.25 -0.36 -0.55 8.24 7.59 1nhxA1 VAL 15 HA 0.01 0.06 0.55 -0.75 4.13 3.99 1nhxA1 VAL 15 HB -0.01 0.10 0.14 -0.04 2.12 2.31 1nhxA1 VAL 15 HG13 -0.03 -0.05 -0.24 -0.04 0.97 0.60 1nhxA1 VAL 15 HG23 -0.00 -0.02 -0.02 -0.04 0.95 0.86 1nhxA1 VAL 16 H -0.02 0.55 0.42 -0.55 8.24 8.64 1nhxA1 VAL 16 HA -0.04 0.22 0.90 -0.75 4.13 4.45 1nhxA1 VAL 16 HB -0.07 -0.06 0.10 -0.04 2.12 2.05 1nhxA1 VAL 16 HG13 -0.15 0.05 -0.07 -0.04 0.97 0.76 1nhxA1 VAL 16 HG23 -0.02 0.01 -0.12 -0.04 0.95 0.77 1nhxA1 GLN 17 H -0.12 0.22 0.22 -0.55 8.47 8.24 1nhxA1 GLN 17 HA -0.13 0.11 0.50 -0.75 4.36 4.08 1nhxA1 GLN 17 HB2 -0.42 0.08 -0.12 -0.04 2.15 1.65 1nhxA1 GLN 17 HB3 -0.75 -0.08 0.03 -0.04 2.02 1.19 1nhxA1 GLN 17 HG2 -0.16 0.00 -0.01 -0.04 2.40 2.19 1nhxA1 GLN 17 HG3 -0.13 0.04 0.13 -0.04 2.39 2.39 1nhxA1 GLN 17 HE21 0.11 -0.22 0.04 -0.04 6.97 6.86 1nhxA1 GLN 17 HE22 -0.07 0.21 0.02 -0.04 7.69 7.80 1nhxA1 GLY 18 H -0.07 0.10 0.10 -0.55 8.43 8.02 1nhxA1 GLY 18 HA2 -0.04 0.01 0.34 -0.51 4.01 3.81 1nhxA1 GLY 18 HA3 -0.05 0.14 0.61 -0.51 4.01 4.20 1nhxA1 SER 19 H -0.02 0.24 0.16 -0.55 8.46 8.30 1nhxA1 SER 19 HA -0.01 0.24 0.86 -0.75 4.49 4.83 1nhxA1 SER 19 HB2 -0.01 0.15 -0.09 -0.04 3.95 3.96 1nhxA1 SER 19 HB3 -0.01 -0.00 0.05 -0.04 3.93 3.92 1nhxA1 LEU 20 H -0.00 0.23 0.13 -0.55 8.37 8.18 1nhxA1 LEU 20 HA 0.00 0.13 0.50 -0.75 4.35 4.23 1nhxA1 LEU 20 HB2 0.00 -0.01 0.08 -0.04 1.64 1.67 1nhxA1 LEU 20 HB3 0.01 0.06 0.04 -0.04 1.64 1.71 1nhxA1 LEU 20 HG -0.00 -0.01 0.03 -0.04 1.64 1.62 1nhxA1 LEU 20 HD13 0.00 0.01 -0.09 -0.04 0.93 0.81 1nhxA1 LEU 20 HD23 -0.00 0.02 -0.08 -0.04 0.89 0.80 1nhxA1 ASP 21 H 0.00 0.02 -0.22 -0.55 8.40 7.65 1nhxA1 ASP 21 HA 0.01 0.16 0.33 -0.75 4.63 4.37 1nhxA1 ASP 21 HB2 0.00 -0.05 0.02 -0.04 2.71 2.64 1nhxA1 ASP 21 HB3 0.00 0.06 0.01 -0.04 2.70 2.74 1nhxA1 SER 22 H 0.00 0.05 -0.36 -0.55 8.46 7.60 1nhxA1 SER 22 HA 0.00 0.12 0.56 -0.75 4.49 4.42 1nhxA1 SER 22 HB2 -0.00 0.02 0.02 -0.04 3.95 3.95 1nhxA1 SER 22 HB3 -0.00 -0.08 0.04 -0.04 3.93 3.85 1nhxA1 LEU 23 H 0.00 0.11 -0.27 -0.55 8.37 7.67 1nhxA1 LEU 23 HA -0.00 0.06 0.40 -0.75 4.35 4.06 1nhxA1 LEU 23 HB2 0.01 0.10 0.03 -0.04 1.64 1.74 1nhxA1 LEU 23 HB3 0.01 -0.00 -0.04 -0.04 1.64 1.56 1nhxA1 LEU 23 HG 0.00 0.08 0.07 -0.04 1.64 1.74 1nhxA1 LEU 23 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.78 1nhxA1 LEU 23 HD23 -0.00 -0.01 -0.06 -0.04 0.89 0.78 1nhxA1 PRO 24 HA 0.03 0.07 0.51 -0.51 4.44 4.53 1nhxA1 PRO 24 HB2 0.05 -0.18 0.02 -0.04 2.28 2.12 1nhxA1 PRO 24 HB3 0.04 0.14 -0.01 -0.04 2.02 2.15 1nhxA1 PRO 24 HG2 -0.01 0.11 0.11 -0.04 2.03 2.20 1nhxA1 PRO 24 HG3 0.01 0.06 0.09 -0.04 2.03 2.15 1nhxA1 PRO 24 HD2 -0.02 -0.01 0.20 -0.04 3.68 3.81 1nhxA1 PRO 24 HD3 -0.01 0.21 0.20 -0.04 3.65 4.01 1nhxA1 GLN 25 H 0.04 0.18 0.15 -0.55 8.47 8.29 1nhxA1 GLN 25 HA 0.05 0.10 0.30 -0.75 4.36 4.05 1nhxA1 GLN 25 HB2 0.03 0.05 0.16 -0.04 2.15 2.35 1nhxA1 GLN 25 HB3 0.05 -0.00 0.12 -0.04 2.02 2.14 1nhxA1 GLN 25 HG2 0.03 0.02 -0.01 -0.04 2.40 2.40 1nhxA1 GLN 25 HG3 0.05 -0.02 -0.16 -0.04 2.39 2.21 1nhxA1 GLN 25 HE21 0.03 0.01 -0.02 -0.04 6.97 6.94 1nhxA1 GLN 25 HE22 0.04 -0.04 -0.03 -0.04 7.69 7.62 1nhxA1 ALA 26 H 0.11 0.18 -0.13 -0.55 8.40 8.01 1nhxA1 ALA 26 HA 0.13 0.03 0.40 -0.75 4.34 4.15 1nhxA1 ALA 26 HB3 0.16 0.06 0.02 -0.04 1.41 1.61 1nhxA1 VAL 27 H 0.14 0.24 -0.37 -0.55 8.24 7.71 1nhxA1 VAL 27 HA 0.11 0.08 0.52 -0.75 4.13 4.09 1nhxA1 VAL 27 HB -0.01 0.15 0.07 -0.04 2.12 2.29 1nhxA1 VAL 27 HG13 -0.08 -0.02 -0.14 -0.04 0.97 0.69 1nhxA1 VAL 27 HG23 -0.36 0.01 -0.05 -0.04 0.95 0.51 1nhxA1 ARG 28 H 0.07 0.61 -0.10 -0.55 8.46 8.48 1nhxA1 ARG 28 HA 0.04 -0.02 0.47 -0.75 4.34 4.08 1nhxA1 ARG 28 HB2 0.04 0.14 -0.03 -0.04 1.90 2.00 1nhxA1 ARG 28 HB3 0.05 0.11 0.07 -0.04 1.80 1.99 1nhxA1 ARG 28 HG2 0.03 -0.10 -0.07 -0.04 1.67 1.49 1nhxA1 ARG 28 HG3 0.02 -0.03 0.05 -0.04 1.67 1.67 1nhxA1 ARG 28 HD2 0.02 0.13 -0.06 -0.04 3.22 3.26 1nhxA1 ARG 28 HD3 0.03 -0.02 -0.08 -0.04 3.22 3.11 1nhxA1 GLU 29 H 0.12 0.61 -0.15 -0.55 8.60 8.63 1nhxA1 GLU 29 HA 0.07 -0.01 0.44 -0.75 4.29 4.04 1nhxA1 GLU 29 HB2 0.12 0.08 0.10 -0.04 2.09 2.35 1nhxA1 GLU 29 HB3 0.09 -0.02 -0.01 -0.04 1.99 2.00 1nhxA1 GLU 29 HG2 0.05 -0.05 -0.01 -0.04 2.34 2.30 1nhxA1 GLU 29 HG3 0.06 0.09 0.01 -0.04 2.34 2.46 1nhxA1 PHE 30 H 0.33 0.50 -0.18 -0.55 8.34 8.43 1nhxA1 PHE 30 HA 0.09 0.01 0.47 -0.75 4.62 4.44 1nhxA1 PHE 30 HB2 0.29 0.07 0.15 -0.04 3.15 3.62 1nhxA1 PHE 30 HB3 0.20 0.09 0.19 -0.04 3.06 3.50 1nhxA1 PHE 30 HD2 0.10 -0.01 0.01 -0.04 7.28 7.33 1nhxA1 PHE 30 HE2 0.11 0.04 -0.05 -0.04 7.38 7.44 1nhxA1 PHE 30 HZ 0.13 0.03 -0.23 -0.04 7.32 7.21 1nhxA1 LEU 31 H 0.09 0.59 -0.22 -0.55 8.37 8.28 1nhxA1 LEU 31 HA -0.24 0.02 0.37 -0.75 4.35 3.75 1nhxA1 LEU 31 HB2 -0.02 0.01 0.03 -0.04 1.64 1.62 1nhxA1 LEU 31 HB3 0.01 0.11 0.16 -0.04 1.64 1.87 1nhxA1 LEU 31 HG -0.02 -0.00 -0.27 -0.04 1.64 1.30 1nhxA1 LEU 31 HD13 -0.05 -0.02 -0.07 -0.04 0.93 0.75 1nhxA1 LEU 31 HD23 -0.00 -0.02 -0.10 -0.04 0.89 0.73 1nhxA1 GLU 32 H 0.01 0.72 -0.04 -0.55 8.60 8.74 1nhxA1 GLU 32 HA -0.01 -0.02 0.37 -0.75 4.29 3.88 1nhxA1 GLU 32 HB2 0.03 0.09 0.18 -0.04 2.09 2.35 1nhxA1 GLU 32 HB3 0.01 -0.04 -0.04 -0.04 1.99 1.88 1nhxA1 GLU 32 HG2 0.01 -0.08 0.02 -0.04 2.34 2.24 1nhxA1 GLU 32 HG3 0.01 0.09 0.05 -0.04 2.34 2.45 1nhxA1 ASN 33 H 0.02 0.62 -0.13 -0.55 8.53 8.50 1nhxA1 ASN 33 HA 0.02 -0.00 0.41 -0.75 4.76 4.44 1nhxA1 ASN 33 HB2 0.07 0.17 0.16 -0.04 2.88 3.23 1nhxA1 ASN 33 HB3 0.06 -0.04 -0.03 -0.04 2.79 2.74 1nhxA1 ASN 33 HD21 0.06 -0.06 -0.03 -0.04 7.03 6.96 1nhxA1 ASN 33 HD22 0.09 0.01 -0.02 -0.04 7.74 7.77 1nhxA1 ASN 34 H -0.09 0.45 -0.23 -0.55 8.53 8.11 1nhxA1 ASN 34 HA 0.01 0.06 0.59 -0.75 4.76 4.67 1nhxA1 ASN 34 HB2 -0.27 0.13 0.10 -0.04 2.88 2.80 1nhxA1 ASN 34 HB3 -0.07 -0.05 0.03 -0.04 2.79 2.65 1nhxA1 ASN 34 HD21 0.13 -0.06 -0.01 -0.04 7.03 7.04 1nhxA1 ASN 34 HD22 -0.56 0.46 0.10 -0.04 7.74 7.69 1nhxA1 ALA 35 H -0.05 0.62 -0.05 -0.55 8.40 8.37 1nhxA1 ALA 35 HA -0.02 0.03 0.57 -0.75 4.34 4.16 1nhxA1 ALA 35 HB3 -0.03 0.01 0.05 -0.04 1.41 1.40 1nhxA1 GLU 36 H -0.01 0.47 -0.17 -0.55 8.60 8.35 1nhxA1 GLU 36 HA -0.00 0.04 0.43 -0.75 4.29 4.00 1nhxA1 GLU 36 HB2 0.00 -0.02 0.10 -0.04 2.09 2.14 1nhxA1 GLU 36 HB3 0.01 0.14 0.14 -0.04 1.99 2.24 1nhxA1 GLU 36 HG2 0.01 -0.06 -0.02 -0.04 2.34 2.23 1nhxA1 GLU 36 HG3 0.01 0.03 -0.20 -0.04 2.34 2.14 1nhxA1 LEU 37 H 0.02 0.28 -0.22 -0.55 8.37 7.91 1nhxA1 LEU 37 HA 0.03 0.04 0.47 -0.75 4.35 4.13 1nhxA1 LEU 37 HB2 0.08 -0.00 0.09 -0.04 1.64 1.76 1nhxA1 LEU 37 HB3 0.06 0.01 0.19 -0.04 1.64 1.86 1nhxA1 LEU 37 HG 0.06 0.07 -0.45 -0.04 1.64 1.29 1nhxA1 LEU 37 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1nhxA1 LEU 37 HD23 0.16 -0.02 -0.08 -0.04 0.89 0.91 1nhxA1 CYS 38 H 0.03 0.68 -0.05 -0.55 8.50 8.61 1nhxA1 CYS 38 HA 0.05 0.14 0.48 -0.75 4.58 4.50 1nhxA1 CYS 38 HB2 0.03 0.10 0.06 -0.04 2.97 3.12 1nhxA1 CYS 38 HB3 0.05 -0.17 0.01 -0.04 2.97 2.82 1nhxA1 GLN 39 H -0.00 0.41 -0.33 -0.55 8.47 8.01 1nhxA1 GLN 39 HA -0.02 0.16 0.30 -0.75 4.36 4.05 1nhxA1 GLN 39 HB2 -0.02 0.01 -0.14 -0.04 2.15 1.97 1nhxA1 GLN 39 HB3 -0.03 -0.06 0.15 -0.04 2.02 2.04 1nhxA1 GLN 39 HG2 -0.01 0.19 -0.14 -0.04 2.40 2.40 1nhxA1 GLN 39 HG3 -0.01 -0.08 -0.01 -0.04 2.39 2.24 1nhxA1 GLN 39 HE21 -0.01 -0.16 0.05 -0.04 6.97 6.81 1nhxA1 GLN 39 HE22 -0.00 0.55 0.19 -0.04 7.69 8.38 1nhxA1 PRO 40 HA -0.04 0.29 0.43 -0.51 4.44 4.61 1nhxA1 PRO 40 HB2 -0.06 0.05 0.05 -0.04 2.28 2.28 1nhxA1 PRO 40 HB3 -0.03 -0.04 -0.02 -0.04 2.02 1.89 1nhxA1 PRO 40 HG2 -0.04 0.01 -0.06 -0.04 2.03 1.89 1nhxA1 PRO 40 HG3 -0.03 -0.04 0.00 -0.04 2.03 1.92 1nhxA1 PRO 40 HD2 -0.02 0.34 0.23 -0.04 3.68 4.18 1nhxA1 PRO 40 HD3 -0.01 0.00 -0.11 -0.04 3.65 3.50 1nhxA1 ASP 41 H -0.08 0.37 0.35 -0.55 8.40 8.50 1nhxA1 ASP 41 HA -0.22 0.09 0.51 -0.75 4.63 4.27 1nhxA1 ASP 41 HB2 -0.08 0.02 -0.03 -0.04 2.71 2.57 1nhxA1 ASP 41 HB3 -0.44 -0.01 -0.05 -0.04 2.70 2.16 1nhxA1 HIS 42 H -0.06 0.24 0.10 -0.55 8.41 8.14 1nhxA1 HIS 42 HA -0.04 0.28 0.74 -0.75 4.63 4.85 1nhxA1 HIS 42 HB2 -0.07 -0.15 -0.05 -0.04 3.26 2.95 1nhxA1 HIS 42 HB3 -0.05 0.07 0.09 -0.04 3.20 3.27 1nhxA1 HIS 42 HD2 -0.02 0.12 0.04 -0.04 6.97 7.07 1nhxA1 HIS 42 HE1 -0.01 -0.03 -0.09 -0.04 7.75 7.57 1nhxA1 ILE 43 H 0.05 0.56 0.06 -0.55 8.25 8.37 1nhxA1 ILE 43 HA -0.04 0.31 0.98 -0.75 4.18 4.67 1nhxA1 ILE 43 HB -0.01 -0.09 -0.02 -0.04 1.89 1.73 1nhxA1 ILE 43 HG12 -0.02 0.02 -0.27 -0.04 1.49 1.18 1nhxA1 ILE 43 HG13 -0.02 -0.03 -0.13 -0.04 1.21 0.98 1nhxA1 ILE 43 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.68 1nhxA1 ILE 43 HD13 -0.03 0.05 -0.18 -0.04 0.88 0.67 1nhxA1 HIS 44 H -0.04 0.79 0.21 -0.55 8.41 8.83 1nhxA1 HIS 44 HA -0.03 0.07 0.97 -0.75 4.63 4.89 1nhxA1 HIS 44 HB2 -0.16 0.03 -0.13 -0.04 3.26 2.97 1nhxA1 HIS 44 HB3 -0.31 0.00 0.02 -0.04 3.20 2.87 1nhxA1 HIS 44 HD2 0.14 -0.10 -0.90 -0.04 6.97 6.07 1nhxA1 HIS 44 HE1 0.07 -0.00 -0.08 -0.04 7.75 7.70 1nhxA1 ILE 45 H -0.08 0.52 0.11 -0.55 8.25 8.25 1nhxA1 ILE 45 HA 0.11 0.09 0.80 -0.75 4.18 4.42 1nhxA1 ILE 45 HB -0.02 -0.01 0.13 -0.04 1.89 1.95 1nhxA1 ILE 45 HG12 0.01 0.02 -0.08 -0.04 1.49 1.40 1nhxA1 ILE 45 HG13 0.00 -0.07 -0.16 -0.04 1.21 0.95 1nhxA1 ILE 45 HG23 0.02 0.02 -0.11 -0.04 0.93 0.82 1nhxA1 ILE 45 HD13 -0.01 0.03 -0.21 -0.04 0.88 0.64 1nhxA1 CYS 46 H 0.20 0.59 0.32 -0.55 8.50 9.05 1nhxA1 CYS 46 HA 0.32 -0.05 0.34 -0.75 4.58 4.43 1nhxA1 CYS 46 HB2 0.11 0.15 0.20 -0.04 2.97 3.39 1nhxA1 CYS 46 HB3 0.09 -0.14 -0.00 -0.04 2.97 2.88 1nhxA1 ASP 47 H 0.12 0.06 0.23 -0.55 8.40 8.26 1nhxA1 ASP 47 HA 0.04 0.24 1.08 -0.75 4.63 5.23 1nhxA1 ASP 47 HB2 0.02 0.00 0.23 -0.04 2.71 2.92 1nhxA1 ASP 47 HB3 0.02 0.13 0.07 -0.04 2.70 2.87 1nhxA1 GLY 48 H 0.06 0.04 0.04 -0.55 8.43 8.02 1nhxA1 GLY 48 HA2 0.02 0.05 0.24 -0.51 4.01 3.81 1nhxA1 GLY 48 HA3 0.02 0.39 0.42 -0.51 4.01 4.33 1nhxA1 SER 49 H 0.03 -0.12 -0.27 -0.55 8.46 7.56 1nhxA1 SER 49 HA 0.02 0.23 0.46 -0.75 4.49 4.44 1nhxA1 SER 49 HB2 0.02 -0.02 0.15 -0.04 3.95 4.06 1nhxA1 SER 49 HB3 0.02 0.14 0.07 -0.04 3.93 4.12 1nhxA1 GLU 50 H 0.02 0.21 0.20 -0.55 8.60 8.49 1nhxA1 GLU 50 HA 0.02 0.18 0.54 -0.75 4.29 4.27 1nhxA1 GLU 50 HB2 0.02 -0.05 0.17 -0.04 2.09 2.20 1nhxA1 GLU 50 HB3 0.03 0.04 0.02 -0.04 1.99 2.04 1nhxA1 GLU 50 HG2 0.03 0.07 0.08 -0.04 2.34 2.48 1nhxA1 GLU 50 HG3 0.02 0.02 0.12 -0.04 2.34 2.46 1nhxA1 GLU 51 H 0.02 0.09 -0.05 -0.55 8.60 8.12 1nhxA1 GLU 51 HA 0.03 0.12 0.39 -0.75 4.29 4.07 1nhxA1 GLU 51 HB2 0.02 -0.06 0.07 -0.04 2.09 2.08 1nhxA1 GLU 51 HB3 0.02 0.08 0.01 -0.04 1.99 2.06 1nhxA1 GLU 51 HG2 0.02 0.07 0.04 -0.04 2.34 2.43 1nhxA1 GLU 51 HG3 0.02 0.03 0.04 -0.04 2.34 2.40 1nhxA1 GLU 52 H 0.03 0.02 -0.31 -0.55 8.60 7.80 1nhxA1 GLU 52 HA 0.05 0.10 0.43 -0.75 4.29 4.11 1nhxA1 GLU 52 HB2 0.08 -0.02 0.07 -0.04 2.09 2.18 1nhxA1 GLU 52 HB3 0.04 0.08 0.05 -0.04 1.99 2.13 1nhxA1 GLU 52 HG2 0.02 0.09 -0.38 -0.04 2.34 2.03 1nhxA1 GLU 52 HG3 0.18 0.05 -0.02 -0.04 2.34 2.51 1nhxA1 ASN 53 H -0.00 0.39 -0.27 -0.55 8.53 8.10 1nhxA1 ASN 53 HA -0.08 0.01 0.39 -0.75 4.76 4.33 1nhxA1 ASN 53 HB2 -0.02 0.10 0.09 -0.04 2.88 3.00 1nhxA1 ASN 53 HB3 -0.01 0.06 0.17 -0.04 2.79 2.96 1nhxA1 ASN 53 HD21 -0.04 0.06 -0.07 -0.04 7.03 6.95 1nhxA1 ASN 53 HD22 0.00 -0.01 -0.04 -0.04 7.74 7.65 1nhxA1 GLY 54 H -0.00 0.67 0.01 -0.55 8.43 8.56 1nhxA1 GLY 54 HA2 -0.01 0.02 0.35 -0.51 4.01 3.86 1nhxA1 GLY 54 HA3 0.02 0.07 0.29 -0.51 4.01 3.88 1nhxA1 ARG 55 H -0.01 0.40 -0.36 -0.55 8.46 7.94 1nhxA1 ARG 55 HA -0.00 0.03 0.49 -0.75 4.34 4.09 1nhxA1 ARG 55 HB2 0.02 0.08 0.16 -0.04 1.90 2.13 1nhxA1 ARG 55 HB3 0.03 -0.03 -0.01 -0.04 1.80 1.75 1nhxA1 ARG 55 HG2 0.02 -0.03 0.03 -0.04 1.67 1.65 1nhxA1 ARG 55 HG3 0.02 0.16 0.05 -0.04 1.67 1.86 1nhxA1 ARG 55 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 1nhxA1 ARG 55 HD3 0.03 -0.03 -0.03 -0.04 3.22 3.14 1nhxA1 LEU 56 H -0.08 0.53 -0.08 -0.55 8.37 8.20 1nhxA1 LEU 56 HA -0.08 0.03 0.47 -0.75 4.35 4.02 1nhxA1 LEU 56 HB2 -0.17 0.10 0.13 -0.04 1.64 1.65 1nhxA1 LEU 56 HB3 -0.21 -0.05 0.01 -0.04 1.64 1.35 1nhxA1 LEU 56 HG -0.09 0.16 0.05 -0.04 1.64 1.72 1nhxA1 LEU 56 HD13 -0.31 -0.03 -0.07 -0.04 0.93 0.48 1nhxA1 LEU 56 HD23 -0.11 -0.01 -0.04 -0.04 0.89 0.68 1nhxA1 LEU 57 H -0.23 0.61 -0.09 -0.55 8.37 8.11 1nhxA1 LEU 57 HA -0.52 0.02 0.40 -0.75 4.35 3.50 1nhxA1 LEU 57 HB2 -0.44 0.09 0.09 -0.04 1.64 1.34 1nhxA1 LEU 57 HB3 -1.68 -0.02 -0.08 -0.04 1.64 -0.18 1nhxA1 LEU 57 HG -0.35 0.14 -0.03 -0.04 1.64 1.36 1nhxA1 LEU 57 HD13 -0.20 -0.01 -0.15 -0.04 0.93 0.53 1nhxA1 LEU 57 HD23 -0.81 -0.01 -0.12 -0.04 0.89 -0.09 1nhxA1 GLY 58 H -0.15 0.58 -0.11 -0.55 8.43 8.20 1nhxA1 GLY 58 HA2 0.03 0.00 0.38 -0.51 4.01 3.91 1nhxA1 GLY 58 HA3 0.00 0.09 0.31 -0.51 4.01 3.90 1nhxA1 GLN 59 H -0.05 0.50 -0.22 -0.55 8.47 8.15 1nhxA1 GLN 59 HA 0.01 0.02 0.52 -0.75 4.36 4.15 1nhxA1 GLN 59 HB2 -0.03 0.08 0.19 -0.04 2.15 2.35 1nhxA1 GLN 59 HB3 0.01 -0.04 0.02 -0.04 2.02 1.96 1nhxA1 GLN 59 HG2 0.01 -0.04 0.05 -0.04 2.40 2.38 1nhxA1 GLN 59 HG3 0.00 0.16 0.10 -0.04 2.39 2.61 1nhxA1 GLN 59 HE21 0.06 -0.04 -0.06 -0.04 6.97 6.89 1nhxA1 GLN 59 HE22 0.03 -0.00 -0.04 -0.04 7.69 7.63 1nhxA1 MET 60 H -0.10 0.69 -0.06 -0.55 8.47 8.45 1nhxA1 MET 60 HA -0.00 0.01 0.53 -0.75 4.52 4.31 1nhxA1 MET 60 HB2 -0.15 0.15 0.17 -0.04 2.15 2.27 1nhxA1 MET 60 HB3 -0.01 -0.09 -0.05 -0.04 2.03 1.83 1nhxA1 MET 60 HG2 -0.01 -0.02 0.02 -0.04 2.63 2.58 1nhxA1 MET 60 HG3 -0.08 0.04 -0.01 -0.04 2.56 2.47 1nhxA1 MET 60 HE3 -0.20 0.04 -0.30 -0.04 2.10 1.59 1nhxA1 GLU 61 H -0.03 0.57 -0.21 -0.55 8.60 8.37 1nhxA1 GLU 61 HA 0.17 0.31 0.60 -0.75 4.29 4.61 1nhxA1 GLU 61 HB2 0.27 -0.02 0.02 -0.04 2.09 2.32 1nhxA1 GLU 61 HB3 0.14 0.12 0.17 -0.04 1.99 2.38 1nhxA1 GLU 61 HG2 0.18 0.01 -0.09 -0.04 2.34 2.40 1nhxA1 GLU 61 HG3 0.33 -0.01 0.06 -0.04 2.34 2.67 1nhxA1 GLU 62 H 0.05 0.46 -0.04 -0.55 8.60 8.53 1nhxA1 GLU 62 HA 0.06 -0.00 0.46 -0.75 4.29 4.05 1nhxA1 GLU 62 HB2 0.03 0.18 0.26 -0.04 2.09 2.52 1nhxA1 GLU 62 HB3 0.04 -0.05 0.03 -0.04 1.99 1.97 1nhxA1 GLU 62 HG2 0.05 0.08 0.13 -0.04 2.34 2.56 1nhxA1 GLU 62 HG3 0.03 -0.06 0.05 -0.04 2.34 2.33 1nhxA1 GLU 63 H 0.04 0.39 -0.16 -0.55 8.60 8.32 1nhxA1 GLU 63 HA 0.04 0.08 0.47 -0.75 4.29 4.13 1nhxA1 GLU 63 HB2 0.03 0.08 0.18 -0.04 2.09 2.34 1nhxA1 GLU 63 HB3 0.03 0.00 0.14 -0.04 1.99 2.13 1nhxA1 GLU 63 HG2 0.03 -0.02 -0.00 -0.04 2.34 2.30 1nhxA1 GLU 63 HG3 0.03 -0.03 0.05 -0.04 2.34 2.35 1nhxA1 GLY 64 H 0.07 0.31 -0.62 -0.55 8.43 7.65 1nhxA1 GLY 64 HA2 0.10 0.08 0.27 -0.51 4.01 3.95 1nhxA1 GLY 64 HA3 0.08 -0.00 0.40 -0.51 4.01 3.97 1nhxA1 ILE 65 H 0.08 0.20 -0.14 -0.55 8.25 7.84 1nhxA1 ILE 65 HA 0.14 0.20 0.58 -0.75 4.18 4.35 1nhxA1 ILE 65 HB 0.06 -0.10 0.17 -0.04 1.89 1.99 1nhxA1 ILE 65 HG12 0.04 0.28 0.12 -0.04 1.49 1.89 1nhxA1 ILE 65 HG13 0.05 0.01 -0.03 -0.04 1.21 1.19 1nhxA1 ILE 65 HG23 0.11 -0.04 -0.02 -0.04 0.93 0.94 1nhxA1 ILE 65 HD13 0.00 -0.06 0.07 -0.04 0.88 0.86 1nhxA1 LEU 66 H 0.13 0.35 -0.14 -0.55 8.37 8.17 1nhxA1 LEU 66 HA 0.25 0.40 1.01 -0.75 4.35 5.25 1nhxA1 LEU 66 HB2 0.12 -0.06 -0.20 -0.04 1.64 1.46 1nhxA1 LEU 66 HB3 0.46 -0.02 -0.16 -0.04 1.64 1.89 1nhxA1 LEU 66 HG 0.15 -0.06 -0.34 -0.04 1.64 1.35 1nhxA1 LEU 66 HD13 -0.18 -0.02 -0.15 -0.04 0.93 0.54 1nhxA1 LEU 66 HD23 0.34 0.01 -0.31 -0.04 0.89 0.89 1nhxA1 ARG 67 H 0.29 0.64 0.33 -0.55 8.46 9.17 1nhxA1 ARG 67 HA 0.22 0.15 0.87 -0.75 4.34 4.82 1nhxA1 ARG 67 HB2 0.16 -0.03 0.09 -0.04 1.90 2.07 1nhxA1 ARG 67 HB3 0.10 0.04 0.02 -0.04 1.80 1.93 1nhxA1 ARG 67 HG2 0.13 0.08 -0.06 -0.04 1.67 1.77 1nhxA1 ARG 67 HG3 0.14 0.06 -0.14 -0.04 1.67 1.69 1nhxA1 ARG 67 HD2 0.08 0.01 -0.04 -0.04 3.22 3.22 1nhxA1 ARG 67 HD3 0.08 -0.03 -0.04 -0.04 3.22 3.18 1nhxA1 ARG 68 H 0.09 0.13 0.12 -0.55 8.46 8.25 1nhxA1 ARG 68 HA -0.76 0.14 0.67 -0.75 4.34 3.64 1nhxA1 ARG 68 HB2 -0.39 -0.01 0.09 -0.04 1.90 1.55 1nhxA1 ARG 68 HB3 -0.19 -0.04 0.09 -0.04 1.80 1.63 1nhxA1 ARG 68 HG2 -0.31 -0.04 -0.11 -0.04 1.67 1.18 1nhxA1 ARG 68 HG3 -0.60 0.12 -0.10 -0.04 1.67 1.04 1nhxA1 ARG 68 HD2 -2.08 0.03 -0.03 -0.04 3.22 1.10 1nhxA1 ARG 68 HD3 -0.46 -0.03 -0.02 -0.04 3.22 2.67 1nhxA1 LEU 69 H -0.35 0.71 0.23 -0.55 8.37 8.42 1nhxA1 LEU 69 HA -0.07 0.10 0.88 -0.75 4.35 4.50 1nhxA1 LEU 69 HB2 0.15 -0.04 -0.01 -0.04 1.64 1.70 1nhxA1 LEU 69 HB3 0.14 0.10 0.02 -0.04 1.64 1.85 1nhxA1 LEU 69 HG 0.09 -0.00 -0.37 -0.04 1.64 1.32 1nhxA1 LEU 69 HD13 0.17 -0.02 -0.30 -0.04 0.93 0.74 1nhxA1 LEU 69 HD23 0.04 0.00 -0.27 -0.04 0.89 0.62 1nhxA1 LYS 70 H -0.14 0.18 0.05 -0.55 8.42 7.95 1nhxA1 LYS 70 HA -0.16 0.07 0.21 -0.75 4.32 3.68 1nhxA1 LYS 70 HB2 -0.10 -0.01 0.10 -0.04 1.87 1.81 1nhxA1 LYS 70 HB3 -0.11 -0.03 0.05 -0.04 1.79 1.66 1nhxA1 LYS 70 HG2 -0.11 -0.05 -0.04 -0.04 1.46 1.21 1nhxA1 LYS 70 HG3 -0.13 0.13 -0.24 -0.04 1.46 1.18 1nhxA1 LYS 70 HD2 -0.07 -0.03 -0.04 -0.04 1.69 1.52 1nhxA1 LYS 70 HD3 -0.06 -0.01 -0.02 -0.04 1.68 1.54 1nhxA1 LYS 70 HE2 -0.07 0.01 -0.15 -0.04 2.99 2.74 1nhxA1 LYS 70 HE3 -0.08 0.03 -0.11 -0.04 2.99 2.79 1nhxA1 LYS 71 H -0.35 0.37 -0.32 -0.55 8.42 7.57 1nhxA1 LYS 71 HA -0.28 0.03 0.47 -0.75 4.32 3.79 1nhxA1 LYS 71 HB2 -0.41 0.09 -0.27 -0.04 1.87 1.23 1nhxA1 LYS 71 HB3 -1.22 0.04 -0.12 -0.04 1.79 0.45 1nhxA1 LYS 71 HG2 -0.73 0.02 -0.08 -0.04 1.46 0.63 1nhxA1 LYS 71 HG3 -0.31 -0.01 0.07 -0.04 1.46 1.18 1nhxA1 LYS 71 HD2 -0.22 -0.03 -0.10 -0.04 1.69 1.30 1nhxA1 LYS 71 HD3 -0.32 -0.12 -0.07 -0.04 1.68 1.12 1nhxA1 LYS 71 HE2 -0.03 0.03 -0.02 -0.04 2.99 2.92 1nhxA1 LYS 71 HE3 -0.10 0.02 -0.01 -0.04 2.99 2.86 1nhxA1 TYR 72 H -0.21 0.41 -0.19 -0.55 8.29 7.74 1nhxA1 TYR 72 HA -0.02 0.18 0.92 -0.75 4.56 4.89 1nhxA1 TYR 72 HB2 -0.00 -0.09 -0.05 -0.04 3.06 2.88 1nhxA1 TYR 72 HB3 0.03 0.38 0.16 -0.04 2.98 3.50 1nhxA1 TYR 72 HD2 -0.02 0.06 -0.03 -0.04 7.15 7.12 1nhxA1 TYR 72 HE2 -0.12 -0.05 -0.05 -0.04 6.85 6.60 1nhxA1 ASP 73 H 0.15 0.35 0.23 -0.55 8.40 8.57 1nhxA1 ASP 73 HA 0.04 0.07 0.75 -0.75 4.63 4.74 1nhxA1 ASP 73 HB2 0.05 0.02 0.14 -0.04 2.71 2.88 1nhxA1 ASP 73 HB3 0.07 0.05 0.25 -0.04 2.70 3.03 1nhxA1 ASN 74 H -0.00 0.24 0.18 -0.55 8.53 8.40 1nhxA1 ASN 74 HA 0.04 0.04 0.32 -0.75 4.76 4.41 1nhxA1 ASN 74 HB2 0.14 -0.02 -0.04 -0.04 2.88 2.92 1nhxA1 ASN 74 HB3 0.14 0.04 -0.06 -0.04 2.79 2.88 1nhxA1 ASN 74 HD21 0.19 -0.02 0.00 -0.04 7.03 7.16 1nhxA1 ASN 74 HD22 0.15 0.02 0.04 -0.04 7.74 7.91 1nhxA1 CYS 75 H -0.10 0.20 -0.20 -0.55 8.50 7.85 1nhxA1 CYS 75 HA 0.23 0.28 1.00 -0.75 4.58 5.34 1nhxA1 CYS 75 HB2 0.26 -0.00 0.01 -0.04 2.97 3.20 1nhxA1 CYS 75 HB3 0.39 0.03 0.02 -0.04 2.97 3.38 1nhxA1 TRP 76 H 0.44 0.60 0.40 -0.55 7.97 8.86 1nhxA1 TRP 76 HA 0.17 0.20 0.97 -0.75 4.62 5.22 1nhxA1 TRP 76 HB2 0.13 -0.03 -0.06 -0.04 3.23 3.24 1nhxA1 TRP 76 HB3 0.14 0.00 -0.08 -0.04 3.23 3.26 1nhxA1 TRP 76 HD1 0.08 0.15 -0.36 -0.04 7.22 7.05 1nhxA1 TRP 76 HE1 0.06 -0.01 -0.23 -0.04 10.20 9.98 1nhxA1 TRP 76 HE3 0.10 0.04 -0.51 -0.04 7.59 7.18 1nhxA1 TRP 76 HZ2 0.05 -0.03 -0.09 -0.04 7.44 7.33 1nhxA1 TRP 76 HZ3 0.06 0.02 -0.18 -0.04 7.13 6.98 1nhxA1 TRP 76 HH2 0.05 -0.01 -0.12 -0.04 7.19 7.07 1nhxA1 LEU 77 H 0.40 0.58 0.31 -0.55 8.37 9.10 1nhxA1 LEU 77 HA 0.36 0.30 1.07 -0.75 4.35 5.32 1nhxA1 LEU 77 HB2 0.22 -0.02 -0.17 -0.04 1.64 1.63 1nhxA1 LEU 77 HB3 0.19 0.01 0.03 -0.04 1.64 1.84 1nhxA1 LEU 77 HG 0.18 -0.00 -0.38 -0.04 1.64 1.40 1nhxA1 LEU 77 HD13 0.21 0.04 -0.13 -0.04 0.93 1.02 1nhxA1 LEU 77 HD23 0.12 0.01 -0.20 -0.04 0.89 0.78 1nhxA1 ALA 78 H 0.28 0.62 0.43 -0.55 8.40 9.19 1nhxA1 ALA 78 HA 0.22 0.40 1.03 -0.75 4.34 5.24 1nhxA1 ALA 78 HB3 0.27 -0.02 0.06 -0.04 1.41 1.68 1nhxA1 LEU 79 H 0.13 0.43 0.21 -0.55 8.37 8.60 1nhxA1 LEU 79 HA 0.07 -0.04 0.98 -0.75 4.35 4.61 1nhxA1 LEU 79 HB2 0.08 0.07 0.15 -0.04 1.64 1.89 1nhxA1 LEU 79 HB3 0.08 0.14 0.13 -0.04 1.64 1.94 1nhxA1 LEU 79 HG 0.13 -0.04 -0.19 -0.04 1.64 1.49 1nhxA1 LEU 79 HD13 0.07 0.01 -0.05 -0.04 0.93 0.92 1nhxA1 LEU 79 HD23 0.21 0.03 0.07 -0.04 0.89 1.15 1nhxA1 THR 80 H -0.11 0.05 0.11 -0.55 8.28 7.78 1nhxA1 THR 80 HA -0.84 0.23 0.71 -0.75 4.39 3.75 1nhxA1 THR 80 HB -1.85 0.00 0.14 -0.04 4.32 2.56 1nhxA1 THR 80 HG23 -1.36 -0.03 -0.11 -0.04 1.22 -0.32 1nhxA1 ASP 81 H -0.39 0.18 0.14 -0.55 8.40 7.78 1nhxA1 ASP 81 HA 0.02 0.12 0.62 -0.75 4.63 4.63 1nhxA1 ASP 81 HB2 0.32 0.30 0.22 -0.04 2.71 3.50 1nhxA1 ASP 81 HB3 0.19 -0.10 0.12 -0.04 2.70 2.86 1nhxA1 PRO 82 HA 0.24 0.08 0.27 -0.51 4.44 4.52 1nhxA1 PRO 82 HB2 0.08 0.03 -0.05 -0.04 2.28 2.30 1nhxA1 PRO 82 HB3 0.02 0.04 0.07 -0.04 2.02 2.11 1nhxA1 PRO 82 HG2 0.01 -0.00 0.03 -0.04 2.03 2.03 1nhxA1 PRO 82 HG3 -0.06 0.06 0.06 -0.04 2.03 2.04 1nhxA1 PRO 82 HD2 -0.01 0.05 0.25 -0.04 3.68 3.93 1nhxA1 PRO 82 HD3 -0.10 0.26 0.18 -0.04 3.65 3.95 1nhxA1 ARG 83 H 0.05 0.06 -0.57 -0.55 8.46 7.45 1nhxA1 ARG 83 HA 0.04 0.12 0.52 -0.75 4.34 4.27 1nhxA1 ARG 83 HB2 0.07 0.00 -0.01 -0.04 1.90 1.92 1nhxA1 ARG 83 HB3 0.06 0.01 0.06 -0.04 1.80 1.88 1nhxA1 ARG 83 HG2 0.04 0.02 0.00 -0.04 1.67 1.70 1nhxA1 ARG 83 HG3 0.04 -0.05 -0.06 -0.04 1.67 1.56 1nhxA1 ARG 83 HD2 0.04 -0.00 0.01 -0.04 3.22 3.23 1nhxA1 ARG 83 HD3 0.04 -0.00 -0.01 -0.04 3.22 3.21 1nhxA1 ASP 84 H -0.01 0.68 -0.42 -0.55 8.40 8.11 1nhxA1 ASP 84 HA 0.04 0.14 0.84 -0.75 4.63 4.89 1nhxA1 ASP 84 HB2 0.22 0.04 -0.13 -0.04 2.71 2.80 1nhxA1 ASP 84 HB3 0.29 0.04 0.16 -0.04 2.70 3.15 1nhxA1 VAL 85 H -0.22 0.19 -0.03 -0.55 8.24 7.63 1nhxA1 VAL 85 HA -0.78 0.22 0.84 -0.75 4.13 3.66 1nhxA1 VAL 85 HB -1.18 -0.08 0.06 -0.04 2.12 0.87 1nhxA1 VAL 85 HG13 -0.33 -0.00 -0.24 -0.04 0.97 0.35 1nhxA1 VAL 85 HG23 -0.18 0.01 -0.14 -0.04 0.95 0.60 1nhxA1 ALA 86 H -0.39 0.19 -0.02 -0.55 8.40 7.63 1nhxA1 ALA 86 HA -0.36 0.05 0.56 -0.75 4.34 3.84 1nhxA1 ALA 86 HB3 -0.10 0.06 -0.14 -0.04 1.41 1.19 1nhxA1 ARG 87 H 0.18 0.10 0.05 -0.55 8.46 8.23 1nhxA1 ARG 87 HA 0.16 0.03 0.42 -0.75 4.34 4.19 1nhxA1 ARG 87 HB2 0.20 -0.14 0.09 -0.04 1.90 2.01 1nhxA1 ARG 87 HB3 0.14 0.04 0.06 -0.04 1.80 2.00 1nhxA1 ARG 87 HG2 0.12 0.02 -0.33 -0.04 1.67 1.44 1nhxA1 ARG 87 HG3 0.17 0.04 -0.19 -0.04 1.67 1.64 1nhxA1 ARG 87 HD2 0.30 0.13 -0.12 -0.04 3.22 3.49 1nhxA1 ARG 87 HD3 0.27 -0.07 -0.04 -0.04 3.22 3.34 1nhxA1 ILE 88 H 0.11 0.20 -0.01 -0.55 8.25 7.99 1nhxA1 ILE 88 HA 0.04 0.14 0.88 -0.75 4.18 4.49 1nhxA1 ILE 88 HB 0.05 0.10 -0.13 -0.04 1.89 1.87 1nhxA1 ILE 88 HG12 0.06 -0.05 -0.14 -0.04 1.49 1.31 1nhxA1 ILE 88 HG13 0.04 -0.09 -0.06 -0.04 1.21 1.06 1nhxA1 ILE 88 HG23 0.10 0.01 0.03 -0.04 0.93 1.02 1nhxA1 ILE 88 HD13 0.04 0.03 -0.04 -0.04 0.88 0.87 1nhxA1 GLU 89 H 0.02 0.22 0.03 -0.55 8.60 8.32 1nhxA1 GLU 89 HA 0.03 0.14 0.35 -0.75 4.29 4.05 1nhxA1 GLU 89 HB2 -0.06 0.02 0.06 -0.04 2.09 2.07 1nhxA1 GLU 89 HB3 -0.02 -0.05 0.11 -0.04 1.99 1.99 1nhxA1 GLU 89 HG2 -0.01 0.00 -0.23 -0.04 2.34 2.06 1nhxA1 GLU 89 HG3 -0.03 0.08 0.01 -0.04 2.34 2.36 1nhxA1 SER 90 H 0.03 0.04 -0.17 -0.55 8.46 7.81 1nhxA1 SER 90 HA 0.03 0.12 0.31 -0.75 4.49 4.20 1nhxA1 SER 90 HB2 0.03 0.04 0.09 -0.04 3.95 4.07 1nhxA1 SER 90 HB3 0.02 -0.04 0.07 -0.04 3.93 3.95 1nhxA1 LYS 91 H 0.07 0.22 -0.64 -0.55 8.42 7.51 1nhxA1 LYS 91 HA 0.07 0.21 0.84 -0.75 4.32 4.69 1nhxA1 LYS 91 HB2 0.10 -0.05 -0.04 -0.04 1.87 1.84 1nhxA1 LYS 91 HB3 0.10 0.24 0.04 -0.04 1.79 2.13 1nhxA1 LYS 91 HG2 0.06 -0.21 -0.27 -0.04 1.46 1.01 1nhxA1 LYS 91 HG3 0.08 -0.05 -0.05 -0.04 1.46 1.40 1nhxA1 LYS 91 HD2 0.08 0.33 0.06 -0.04 1.69 2.12 1nhxA1 LYS 91 HD3 0.06 0.03 -0.01 -0.04 1.68 1.72 1nhxA1 LYS 91 HE2 0.05 -0.14 -0.08 -0.04 2.99 2.78 1nhxA1 LYS 91 HE3 0.06 0.08 0.00 -0.04 2.99 3.09 1nhxA1 THR 92 H 0.08 0.55 -0.10 -0.55 8.28 8.26 1nhxA1 THR 92 HA 0.15 0.17 1.00 -0.75 4.39 4.96 1nhxA1 THR 92 HB 0.08 0.08 0.22 -0.04 4.32 4.65 1nhxA1 THR 92 HG23 0.23 0.00 -0.08 -0.04 1.22 1.32 1nhxA1 VAL 93 H 0.18 0.71 0.44 -0.55 8.24 9.02 1nhxA1 VAL 93 HA 0.09 0.32 1.08 -0.75 4.13 4.87 1nhxA1 VAL 93 HB 0.02 -0.02 -0.06 -0.04 2.12 2.02 1nhxA1 VAL 93 HG13 0.06 -0.01 -0.40 -0.04 0.97 0.58 1nhxA1 VAL 93 HG23 0.06 -0.03 -0.17 -0.04 0.95 0.77 1nhxA1 ILE 94 H 0.10 0.55 0.37 -0.55 8.25 8.72 1nhxA1 ILE 94 HA 0.12 0.13 1.00 -0.75 4.18 4.68 1nhxA1 ILE 94 HB 0.12 -0.05 0.06 -0.04 1.89 1.98 1nhxA1 ILE 94 HG12 -0.09 -0.03 0.07 -0.04 1.49 1.41 1nhxA1 ILE 94 HG13 -0.03 -0.05 -0.34 -0.04 1.21 0.74 1nhxA1 ILE 94 HG23 0.11 0.02 -0.07 -0.04 0.93 0.94 1nhxA1 ILE 94 HD13 -0.05 0.04 -0.05 -0.04 0.88 0.78 1nhxA1 VAL 95 H -0.02 0.85 0.39 -0.55 8.24 8.91 1nhxA1 VAL 95 HA -0.16 0.32 0.98 -0.75 4.13 4.52 1nhxA1 VAL 95 HB -0.23 -0.01 0.17 -0.04 2.12 2.02 1nhxA1 VAL 95 HG13 -0.10 0.00 -0.23 -0.04 0.97 0.60 1nhxA1 VAL 95 HG23 -0.39 -0.00 -0.15 -0.04 0.95 0.36 1nhxA1 THR 96 H 0.29 0.32 0.16 -0.55 8.28 8.51 1nhxA1 THR 96 HA 0.12 0.11 0.68 -0.75 4.39 4.54 1nhxA1 THR 96 HB 0.14 -0.16 0.09 -0.04 4.32 4.36 1nhxA1 THR 96 HG23 0.12 0.02 -0.17 -0.04 1.22 1.14 1nhxA1 GLN 97 H 0.11 0.18 0.14 -0.55 8.47 8.35 1nhxA1 GLN 97 HA 0.17 -0.01 0.53 -0.75 4.36 4.29 1nhxA1 GLN 97 HB2 0.06 0.03 0.17 -0.04 2.15 2.37 1nhxA1 GLN 97 HB3 0.06 -0.00 0.11 -0.04 2.02 2.15 1nhxA1 GLN 97 HG2 0.06 0.00 -0.06 -0.04 2.40 2.36 1nhxA1 GLN 97 HG3 0.07 -0.03 0.10 -0.04 2.39 2.49 1nhxA1 GLN 97 HE21 0.02 0.03 0.01 -0.04 6.97 6.99 1nhxA1 GLN 97 HE22 0.04 -0.02 0.02 -0.04 7.69 7.68 1nhxA1 GLU 98 H 0.08 0.12 -0.08 -0.55 8.60 8.18 1nhxA1 GLU 98 HA -0.06 0.20 0.90 -0.75 4.29 4.57 1nhxA1 GLU 98 HB2 -0.07 -0.04 0.07 -0.04 2.09 2.01 1nhxA1 GLU 98 HB3 -0.11 0.00 0.05 -0.04 1.99 1.89 1nhxA1 GLU 98 HG2 0.01 -0.07 -0.04 -0.04 2.34 2.20 1nhxA1 GLU 98 HG3 -0.03 0.07 -0.00 -0.04 2.34 2.34 1nhxA1 GLN 99 H -0.71 0.21 0.14 -0.55 8.47 7.56 1nhxA1 GLN 99 HA -2.34 0.10 0.37 -0.75 4.36 1.74 1nhxA1 GLN 99 HB2 -2.53 0.02 0.11 -0.04 2.15 -0.29 1nhxA1 GLN 99 HB3 -0.80 -0.03 0.13 -0.04 2.02 1.28 1nhxA1 GLN 99 HG2 -0.45 0.12 -0.26 -0.04 2.40 1.78 1nhxA1 GLN 99 HG3 -0.68 -0.03 0.02 -0.04 2.39 1.66 1nhxA1 GLN 99 HE21 0.04 0.02 0.02 -0.04 6.97 7.00 1nhxA1 GLN 99 HE22 0.01 0.02 -0.04 -0.04 7.69 7.64 1nhxA1 ARG 100 H -0.33 0.03 -0.14 -0.55 8.46 7.46 1nhxA1 ARG 100 HA -0.18 0.40 0.34 -0.75 4.34 4.15 1nhxA1 ARG 100 HB2 -0.16 -0.04 0.09 -0.04 1.90 1.75 1nhxA1 ARG 100 HB3 -0.11 -0.01 -0.05 -0.04 1.80 1.58 1nhxA1 ARG 100 HG2 -0.08 0.02 0.00 -0.04 1.67 1.58 1nhxA1 ARG 100 HG3 -0.10 -0.02 0.07 -0.04 1.67 1.58 1nhxA1 ARG 100 HD2 -0.07 -0.01 -0.00 -0.04 3.22 3.09 1nhxA1 ARG 100 HD3 -0.06 0.01 -0.06 -0.04 3.22 3.07 1nhxA1 ASP 101 H -0.13 0.13 -0.44 -0.55 8.40 7.41 1nhxA1 ASP 101 HA -0.00 0.07 0.50 -0.75 4.63 4.44 1nhxA1 ASP 101 HB2 -0.00 0.11 0.07 -0.04 2.71 2.85 1nhxA1 ASP 101 HB3 0.02 0.05 0.02 -0.04 2.70 2.75 1nhxA1 THR 102 H -0.08 0.34 -0.25 -0.55 8.28 7.73 1nhxA1 THR 102 HA 0.10 0.14 0.63 -0.75 4.39 4.51 1nhxA1 THR 102 HB 0.07 0.10 0.11 -0.04 4.32 4.57 1nhxA1 THR 102 HG23 0.21 0.03 -0.24 -0.04 1.22 1.17 1nhxA1 VAL 103 H -0.09 0.55 0.11 -0.55 8.24 8.26 1nhxA1 VAL 103 HA -0.03 0.16 0.71 -0.75 4.13 4.22 1nhxA1 VAL 103 HB -0.03 0.24 -0.22 -0.04 2.12 2.08 1nhxA1 VAL 103 HG13 0.03 0.03 -0.25 -0.04 0.97 0.74 1nhxA1 VAL 103 HG23 0.03 -0.04 -0.15 -0.04 0.95 0.74 1nhxA1 PRO 104 HA -0.08 0.00 0.61 -0.51 4.44 4.46 1nhxA1 PRO 104 HB2 -0.06 0.34 0.00 -0.04 2.28 2.52 1nhxA1 PRO 104 HB3 -0.07 0.10 0.13 -0.04 2.02 2.14 1nhxA1 PRO 104 HG2 -0.04 0.08 0.12 -0.04 2.03 2.15 1nhxA1 PRO 104 HG3 -0.07 -0.19 0.11 -0.04 2.03 1.85 1nhxA1 PRO 104 HD2 -0.05 0.15 0.21 -0.04 3.68 3.95 1nhxA1 PRO 104 HD3 -0.06 -0.02 0.24 -0.04 3.65 3.76 1nhxA1 ILE 105 H -0.08 0.05 0.13 -0.55 8.25 7.80 1nhxA1 ILE 105 HA -0.06 0.13 0.72 -0.75 4.18 4.22 1nhxA1 ILE 105 HB -0.06 -0.07 0.17 -0.04 1.89 1.88 1nhxA1 ILE 105 HG12 -0.11 -0.05 0.05 -0.04 1.49 1.34 1nhxA1 ILE 105 HG13 -0.10 -0.04 0.05 -0.04 1.21 1.08 1nhxA1 ILE 105 HG23 -0.05 0.05 -0.02 -0.04 0.93 0.86 1nhxA1 ILE 105 HD13 -0.14 -0.00 -0.03 -0.04 0.88 0.66 1nhxA1 PRO 106 HA -0.07 0.22 0.38 -0.51 4.44 4.46 1nhxA1 PRO 106 HB2 -0.05 0.12 -0.10 -0.04 2.28 2.21 1nhxA1 PRO 106 HB3 -0.07 -0.04 0.02 -0.04 2.02 1.89 1nhxA1 PRO 106 HG2 -0.02 0.15 -0.17 -0.04 2.03 1.95 1nhxA1 PRO 106 HG3 -0.03 -0.14 -0.14 -0.04 2.03 1.69 1nhxA1 PRO 106 HD2 -0.03 0.00 0.20 -0.04 3.68 3.81 1nhxA1 PRO 106 HD3 -0.04 0.29 0.27 -0.04 3.65 4.13 1nhxA1 LYS 107 H -0.06 0.71 0.34 -0.55 8.42 8.86 1nhxA1 LYS 107 HA -0.03 0.04 0.60 -0.75 4.32 4.17 1nhxA1 LYS 107 HB2 -0.04 -0.05 0.24 -0.04 1.87 1.98 1nhxA1 LYS 107 HB3 -0.03 -0.06 0.01 -0.04 1.79 1.67 1nhxA1 LYS 107 HG2 -0.03 -0.04 0.08 -0.04 1.46 1.43 1nhxA1 LYS 107 HG3 -0.04 0.19 0.17 -0.04 1.46 1.74 1nhxA1 LYS 107 HD2 -0.02 -0.03 -0.07 -0.04 1.69 1.52 1nhxA1 LYS 107 HD3 -0.02 -0.05 -0.00 -0.04 1.68 1.57 1nhxA1 LYS 107 HE2 -0.03 0.15 -0.02 -0.04 2.99 3.06 1nhxA1 LYS 107 HE3 -0.02 -0.06 -0.04 -0.04 2.99 2.84 1nhxA1 THR 108 H -0.04 0.21 -0.01 -0.55 8.28 7.89 1nhxA1 THR 108 HA -0.01 0.16 0.73 -0.75 4.39 4.51 1nhxA1 THR 108 HB -0.01 -0.05 0.06 -0.04 4.32 4.28 1nhxA1 THR 108 HG23 -0.01 -0.00 -0.19 -0.04 1.22 0.97 1nhxA1 GLY 109 H -0.00 0.06 0.10 -0.55 8.43 8.04 1nhxA1 GLY 109 HA2 0.00 -0.01 0.32 -0.51 4.01 3.81 1nhxA1 GLY 109 HA3 -0.00 0.07 0.34 -0.51 4.01 3.91 1nhxA1 LEU 110 H 0.01 0.11 0.18 -0.55 8.37 8.12 1nhxA1 LEU 110 HA 0.01 0.13 0.84 -0.75 4.35 4.58 1nhxA1 LEU 110 HB2 0.02 -0.04 0.11 -0.04 1.64 1.69 1nhxA1 LEU 110 HB3 0.03 0.14 0.06 -0.04 1.64 1.83 1nhxA1 LEU 110 HG 0.02 -0.10 -0.06 -0.04 1.64 1.46 1nhxA1 LEU 110 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 1nhxA1 LEU 110 HD23 0.04 0.02 0.03 -0.04 0.89 0.94 1nhxA1 SER 111 H 0.01 0.11 0.19 -0.55 8.46 8.22 1nhxA1 SER 111 HA -0.04 0.05 0.52 -0.75 4.49 4.27 1nhxA1 SER 111 HB2 -0.01 0.14 0.22 -0.04 3.95 4.25 1nhxA1 SER 111 HB3 0.02 0.10 0.19 -0.04 3.93 4.19 1nhxA1 GLN 112 H -0.04 0.14 0.25 -0.55 8.47 8.27 1nhxA1 GLN 112 HA 0.01 0.22 0.83 -0.75 4.36 4.68 1nhxA1 GLN 112 HB2 0.06 -0.02 0.15 -0.04 2.15 2.30 1nhxA1 GLN 112 HB3 0.06 0.01 0.22 -0.04 2.02 2.27 1nhxA1 GLN 112 HG2 0.03 0.00 0.05 -0.04 2.40 2.44 1nhxA1 GLN 112 HG3 0.02 0.13 -0.09 -0.04 2.39 2.41 1nhxA1 GLN 112 HE21 0.06 -0.04 0.03 -0.04 6.97 6.98 1nhxA1 GLN 112 HE22 0.03 0.00 0.02 -0.04 7.69 7.70 1nhxA1 LEU 113 H -0.01 0.05 -0.06 -0.55 8.37 7.80 1nhxA1 LEU 113 HA 0.04 0.23 0.73 -0.75 4.35 4.59 1nhxA1 LEU 113 HB2 -0.04 0.01 0.12 -0.04 1.64 1.68 1nhxA1 LEU 113 HB3 -0.12 -0.02 0.21 -0.04 1.64 1.67 1nhxA1 LEU 113 HG -0.10 -0.13 -0.04 -0.04 1.64 1.32 1nhxA1 LEU 113 HD13 -0.01 0.01 -0.07 -0.04 0.93 0.81 1nhxA1 LEU 113 HD23 -0.23 0.03 -0.03 -0.04 0.89 0.62 1nhxA1 GLY 114 H 0.03 0.14 -0.15 -0.55 8.43 7.90 1nhxA1 GLY 114 HA2 0.03 0.14 0.21 -0.51 4.01 3.88 1nhxA1 GLY 114 HA3 0.06 0.15 0.43 -0.51 4.01 4.13 1nhxA1 ARG 115 H 0.08 0.25 0.03 -0.55 8.46 8.27 1nhxA1 ARG 115 HA 0.12 0.09 0.91 -0.75 4.34 4.71 1nhxA1 ARG 115 HB2 0.07 0.32 0.31 -0.04 1.90 2.56 1nhxA1 ARG 115 HB3 0.07 -0.03 0.05 -0.04 1.80 1.85 1nhxA1 ARG 115 HG2 0.05 0.06 -0.12 -0.04 1.67 1.62 1nhxA1 ARG 115 HG3 0.04 -0.12 -0.39 -0.04 1.67 1.16 1nhxA1 ARG 115 HD2 0.03 -0.12 -0.12 -0.04 3.22 2.97 1nhxA1 ARG 115 HD3 0.04 0.31 0.05 -0.04 3.22 3.58 1nhxA1 TRP 116 H 0.30 0.14 0.10 -0.55 7.97 7.96 1nhxA1 TRP 116 HA 0.03 0.32 0.82 -0.75 4.62 5.03 1nhxA1 TRP 116 HB2 0.02 0.02 0.01 -0.04 3.23 3.24 1nhxA1 TRP 116 HB3 0.02 -0.03 0.11 -0.04 3.23 3.28 1nhxA1 TRP 116 HD1 0.02 0.07 -0.03 -0.04 7.22 7.23 1nhxA1 TRP 116 HE1 0.01 0.28 -0.23 -0.04 10.20 10.23 1nhxA1 TRP 116 HE3 0.02 0.07 -0.06 -0.04 7.59 7.57 1nhxA1 TRP 116 HZ2 0.02 0.13 -0.05 -0.04 7.44 7.50 1nhxA1 TRP 116 HZ3 0.02 0.03 0.00 -0.04 7.13 7.14 1nhxA1 TRP 116 HH2 0.02 -0.00 0.04 -0.04 7.19 7.20 1nhxA1 MET 117 H -0.50 0.64 0.32 -0.55 8.47 8.38 1nhxA1 MET 117 HA -0.60 0.08 0.80 -0.75 4.52 4.05 1nhxA1 MET 117 HB2 -0.12 0.09 -0.17 -0.04 2.15 1.91 1nhxA1 MET 117 HB3 -0.18 -0.02 -0.04 -0.04 2.03 1.75 1nhxA1 MET 117 HG2 -0.15 -0.04 -0.15 -0.04 2.63 2.25 1nhxA1 MET 117 HG3 -0.12 0.01 -0.01 -0.04 2.56 2.39 1nhxA1 MET 117 HE3 0.04 0.03 -0.11 -0.04 2.10 2.02 1nhxA1 SER 118 H -0.90 0.12 0.11 -0.55 8.46 7.25 1nhxA1 SER 118 HA -0.57 0.23 0.47 -0.75 4.49 3.86 1nhxA1 SER 118 HB2 -0.04 0.03 0.18 -0.04 3.95 4.08 1nhxA1 SER 118 HB3 -0.45 0.11 0.16 -0.04 3.93 3.71 1nhxA1 GLU 119 H 0.01 0.22 0.13 -0.55 8.60 8.42 1nhxA1 GLU 119 HA 0.02 0.15 0.37 -0.75 4.29 4.08 1nhxA1 GLU 119 HB2 0.04 -0.03 0.08 -0.04 2.09 2.14 1nhxA1 GLU 119 HB3 0.03 0.06 0.01 -0.04 1.99 2.05 1nhxA1 GLU 119 HG2 0.03 0.07 -0.17 -0.04 2.34 2.22 1nhxA1 GLU 119 HG3 0.08 0.06 -0.22 -0.04 2.34 2.22 1nhxA1 GLU 120 H 0.00 0.07 -0.12 -0.55 8.60 8.01 1nhxA1 GLU 120 HA 0.01 0.11 0.43 -0.75 4.29 4.08 1nhxA1 GLU 120 HB2 0.02 0.03 0.09 -0.04 2.09 2.18 1nhxA1 GLU 120 HB3 -0.00 -0.06 0.08 -0.04 1.99 1.96 1nhxA1 GLU 120 HG2 -0.01 0.03 -0.24 -0.04 2.34 2.08 1nhxA1 GLU 120 HG3 0.00 0.02 0.00 -0.04 2.34 2.33 1nhxA1 ASP 121 H -0.06 0.03 -0.23 -0.55 8.40 7.59 1nhxA1 ASP 121 HA -0.03 0.07 0.38 -0.75 4.63 4.30 1nhxA1 ASP 121 HB2 -0.13 -0.01 0.08 -0.04 2.71 2.60 1nhxA1 ASP 121 HB3 -0.05 0.09 -0.02 -0.04 2.70 2.68 1nhxA1 PHE 122 H 0.07 0.47 -0.32 -0.55 8.34 8.00 1nhxA1 PHE 122 HA -0.02 0.08 0.37 -0.75 4.62 4.30 1nhxA1 PHE 122 HB2 -0.08 0.03 -0.05 -0.04 3.15 3.02 1nhxA1 PHE 122 HB3 -0.07 0.05 0.01 -0.04 3.06 3.01 1nhxA1 PHE 122 HD2 -0.04 0.02 -0.14 -0.04 7.28 7.08 1nhxA1 PHE 122 HE2 -0.08 0.04 -0.11 -0.04 7.38 7.18 1nhxA1 PHE 122 HZ 0.10 0.02 -0.09 -0.04 7.32 7.30 1nhxA1 GLU 123 H 0.02 0.42 -0.20 -0.55 8.60 8.29 1nhxA1 GLU 123 HA -0.16 0.04 0.40 -0.75 4.29 3.82 1nhxA1 GLU 123 HB2 -0.01 0.08 0.14 -0.04 2.09 2.25 1nhxA1 GLU 123 HB3 -0.02 -0.02 0.01 -0.04 1.99 1.91 1nhxA1 GLU 123 HG2 0.04 0.10 0.07 -0.04 2.34 2.51 1nhxA1 GLU 123 HG3 0.01 -0.07 -0.01 -0.04 2.34 2.23 1nhxA1 LYS 124 H -0.05 0.36 -0.18 -0.55 8.42 8.00 1nhxA1 LYS 124 HA -0.04 0.02 0.39 -0.75 4.32 3.94 1nhxA1 LYS 124 HB2 -0.04 0.12 0.14 -0.04 1.87 2.05 1nhxA1 LYS 124 HB3 -0.04 0.00 -0.01 -0.04 1.79 1.70 1nhxA1 LYS 124 HG2 -0.02 -0.02 0.02 -0.04 1.46 1.39 1nhxA1 LYS 124 HG3 -0.02 0.09 0.06 -0.04 1.46 1.55 1nhxA1 LYS 124 HD2 -0.02 -0.03 -0.04 -0.04 1.69 1.56 1nhxA1 LYS 124 HD3 -0.02 0.02 -0.01 -0.04 1.68 1.62 1nhxA1 LYS 124 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 1nhxA1 LYS 124 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1nhxA1 ALA 125 H -0.11 0.48 -0.11 -0.55 8.40 8.12 1nhxA1 ALA 125 HA -0.10 0.04 0.37 -0.75 4.34 3.89 1nhxA1 ALA 125 HB3 -0.07 0.01 0.05 -0.04 1.41 1.37 1nhxA1 PHE 126 H -0.33 0.63 -0.21 -0.55 8.34 7.87 1nhxA1 PHE 126 HA -0.17 0.02 0.44 -0.75 4.62 4.15 1nhxA1 PHE 126 HB2 -1.19 0.02 0.07 -0.04 3.15 2.00 1nhxA1 PHE 126 HB3 -0.43 0.10 0.17 -0.04 3.06 2.85 1nhxA1 PHE 126 HD2 -0.15 0.03 -0.10 -0.04 7.28 7.02 1nhxA1 PHE 126 HE2 -0.38 -0.01 -0.08 -0.04 7.38 6.88 1nhxA1 PHE 126 HZ -0.17 -0.01 -0.07 -0.04 7.32 7.03 1nhxA1 ASN 127 H -0.02 0.59 -0.07 -0.55 8.53 8.49 1nhxA1 ASN 127 HA -0.11 0.00 0.48 -0.75 4.76 4.39 1nhxA1 ASN 127 HB2 -0.03 0.09 0.13 -0.04 2.88 3.03 1nhxA1 ASN 127 HB3 -0.03 -0.05 0.05 -0.04 2.79 2.72 1nhxA1 ASN 127 HD21 0.04 -0.10 -0.05 -0.04 7.03 6.88 1nhxA1 ASN 127 HD22 0.00 -0.05 -0.07 -0.04 7.74 7.58 1nhxA1 ALA 128 H -0.14 0.37 -0.37 -0.55 8.40 7.71 1nhxA1 ALA 128 HA -0.12 0.04 0.53 -0.75 4.34 4.04 1nhxA1 ALA 128 HB3 -0.12 -0.00 0.08 -0.04 1.41 1.34 1nhxA1 ARG 129 H -0.33 0.21 -0.53 -0.55 8.46 7.26 1nhxA1 ARG 129 HA -0.57 0.19 0.93 -0.75 4.34 4.13 1nhxA1 ARG 129 HB2 -0.70 0.03 0.14 -0.04 1.90 1.33 1nhxA1 ARG 129 HB3 -2.59 -0.10 -0.06 -0.04 1.80 -0.99 1nhxA1 ARG 129 HG2 -1.00 -0.03 -0.05 -0.04 1.67 0.54 1nhxA1 ARG 129 HG3 -0.46 -0.04 -0.29 -0.04 1.67 0.84 1nhxA1 ARG 129 HD2 -0.26 0.04 -0.11 -0.04 3.22 2.86 1nhxA1 ARG 129 HD3 -0.54 -0.08 -0.03 -0.04 3.22 2.53 1nhxA1 PHE 130 H -0.36 0.44 0.18 -0.55 8.34 8.05 1nhxA1 PHE 130 HA -0.10 0.04 0.28 -0.75 4.62 4.09 1nhxA1 PHE 130 HB2 -1.04 0.09 0.07 -0.04 3.15 2.23 1nhxA1 PHE 130 HB3 -0.28 -0.09 -0.08 -0.04 3.06 2.56 1nhxA1 PHE 130 HD2 -0.36 0.05 -0.00 -0.04 7.28 6.93 1nhxA1 PHE 130 HE2 0.13 -0.01 -0.19 -0.04 7.38 7.26 1nhxA1 PHE 130 HZ 0.29 0.03 -0.38 -0.04 7.32 7.21 1nhxA1 PRO 131 HA -0.01 0.18 0.51 -0.51 4.44 4.60 1nhxA1 PRO 131 HB2 -0.05 0.04 0.06 -0.04 2.28 2.28 1nhxA1 PRO 131 HB3 -0.03 -0.02 0.10 -0.04 2.02 2.02 1nhxA1 PRO 131 HG2 -0.07 0.15 0.12 -0.04 2.03 2.19 1nhxA1 PRO 131 HG3 -0.06 -0.06 0.07 -0.04 2.03 1.94 1nhxA1 PRO 131 HD2 -0.18 0.19 -0.23 -0.04 3.68 3.42 1nhxA1 PRO 131 HD3 -0.27 0.04 0.15 -0.04 3.65 3.53 1nhxA1 GLY 132 H -0.00 0.57 0.36 -0.55 8.43 8.81 1nhxA1 GLY 132 HA2 -0.01 0.03 0.24 -0.51 4.01 3.76 1nhxA1 GLY 132 HA3 -0.02 0.00 0.34 -0.51 4.01 3.83 1nhxA1 CYS 133 H 0.01 0.49 -0.15 -0.55 8.50 8.30 1nhxA1 CYS 133 HA -0.01 0.12 0.18 -0.75 4.58 4.12 1nhxA1 CYS 133 HB2 0.03 -0.19 0.03 -0.04 2.97 2.80 1nhxA1 CYS 133 HB3 0.02 0.31 0.06 -0.04 2.97 3.32 1nhxA1 MET 134 H -0.00 0.53 -0.20 -0.55 8.47 8.25 1nhxA1 MET 134 HA -0.04 0.12 0.77 -0.75 4.52 4.61 1nhxA1 MET 134 HB2 -0.00 0.09 -0.27 -0.04 2.15 1.92 1nhxA1 MET 134 HB3 -0.02 -0.10 -0.02 -0.04 2.03 1.85 1nhxA1 MET 134 HG2 -0.02 -0.07 -0.13 -0.04 2.63 2.37 1nhxA1 MET 134 HG3 0.03 0.02 -0.15 -0.04 2.56 2.42 1nhxA1 MET 134 HE3 0.09 -0.03 -0.11 -0.04 2.10 2.01 1nhxA1 LYS 135 H -0.02 0.41 -0.27 -0.55 8.42 7.99 1nhxA1 LYS 135 HA -0.04 0.18 0.55 -0.75 4.32 4.26 1nhxA1 LYS 135 HB2 -0.02 0.10 0.20 -0.04 1.87 2.10 1nhxA1 LYS 135 HB3 -0.02 0.06 0.16 -0.04 1.79 1.94 1nhxA1 LYS 135 HG2 -0.02 0.07 0.04 -0.04 1.46 1.50 1nhxA1 LYS 135 HG3 -0.03 -0.12 0.13 -0.04 1.46 1.40 1nhxA1 LYS 135 HD2 -0.03 0.06 0.09 -0.04 1.69 1.77 1nhxA1 LYS 135 HD3 -0.02 -0.01 0.06 -0.04 1.68 1.67 1nhxA1 LYS 135 HE2 -0.02 -0.06 0.02 -0.04 2.99 2.89 1nhxA1 LYS 135 HE3 -0.02 -0.03 0.03 -0.04 2.99 2.92 1nhxA1 GLY 136 H -0.04 0.12 0.33 -0.55 8.43 8.29 1nhxA1 GLY 136 HA2 -0.02 -0.03 0.39 -0.51 4.01 3.85 1nhxA1 GLY 136 HA3 -0.01 0.09 0.64 -0.51 4.01 4.21 1nhxA1 ARG 137 H -0.03 0.47 0.13 -0.55 8.46 8.48 1nhxA1 ARG 137 HA 0.01 0.16 0.98 -0.75 4.34 4.74 1nhxA1 ARG 137 HB2 -0.02 0.10 -0.01 -0.04 1.90 1.93 1nhxA1 ARG 137 HB3 -0.00 -0.00 0.12 -0.04 1.80 1.88 1nhxA1 ARG 137 HG2 -0.01 0.01 -0.07 -0.04 1.67 1.56 1nhxA1 ARG 137 HG3 -0.03 0.06 -0.35 -0.04 1.67 1.31 1nhxA1 ARG 137 HD2 -0.06 -0.05 -0.05 -0.04 3.22 3.03 1nhxA1 ARG 137 HD3 -0.04 0.03 0.06 -0.04 3.22 3.23 1nhxA1 THR 138 H -0.01 0.17 0.19 -0.55 8.28 8.08 1nhxA1 THR 138 HA -0.07 0.14 0.84 -0.75 4.39 4.54 1nhxA1 THR 138 HB -0.27 -0.03 0.10 -0.04 4.32 4.09 1nhxA1 THR 138 HG23 -0.61 -0.02 -0.37 -0.04 1.22 0.18 1nhxA1 MET 139 H -0.10 0.71 0.35 -0.55 8.47 8.88 1nhxA1 MET 139 HA -0.02 0.21 0.92 -0.75 4.52 4.87 1nhxA1 MET 139 HB2 -0.02 0.02 0.04 -0.04 2.15 2.15 1nhxA1 MET 139 HB3 -0.04 -0.01 0.18 -0.04 2.03 2.12 1nhxA1 MET 139 HG2 0.01 -0.01 -0.40 -0.04 2.63 2.18 1nhxA1 MET 139 HG3 0.03 -0.01 -0.09 -0.04 2.56 2.44 1nhxA1 MET 139 HE3 -0.01 -0.00 -0.23 -0.04 2.10 1.81 1nhxA1 TYR 140 H 0.16 0.91 0.39 -0.55 8.29 9.20 1nhxA1 TYR 140 HA 0.07 0.19 0.89 -0.75 4.56 4.95 1nhxA1 TYR 140 HB2 -0.01 -0.02 0.09 -0.04 3.06 3.09 1nhxA1 TYR 140 HB3 -0.03 -0.04 -0.02 -0.04 2.98 2.85 1nhxA1 TYR 140 HD2 -0.23 0.05 -0.12 -0.04 7.15 6.80 1nhxA1 TYR 140 HE2 -0.25 0.03 -0.12 -0.04 6.85 6.46 1nhxA1 VAL 141 H 0.19 0.65 0.38 -0.55 8.24 8.91 1nhxA1 VAL 141 HA 0.11 0.22 0.91 -0.75 4.13 4.62 1nhxA1 VAL 141 HB 0.08 -0.14 0.23 -0.04 2.12 2.25 1nhxA1 VAL 141 HG13 0.05 0.01 -0.16 -0.04 0.97 0.83 1nhxA1 VAL 141 HG23 0.03 0.02 -0.20 -0.04 0.95 0.76 1nhxA1 ILE 142 H 0.16 0.85 0.19 -0.55 8.25 8.90 1nhxA1 ILE 142 HA 0.12 0.10 0.78 -0.75 4.18 4.43 1nhxA1 ILE 142 HB 0.18 -0.04 0.20 -0.04 1.89 2.18 1nhxA1 ILE 142 HG12 0.03 -0.06 -0.13 -0.04 1.49 1.29 1nhxA1 ILE 142 HG13 0.11 0.05 -0.17 -0.04 1.21 1.16 1nhxA1 ILE 142 HG23 0.09 -0.01 -0.26 -0.04 0.93 0.71 1nhxA1 ILE 142 HD13 -0.03 -0.01 -0.16 -0.04 0.88 0.63 1nhxA1 PRO 143 HA 0.01 0.24 0.83 -0.51 4.44 5.01 1nhxA1 PRO 143 HB2 0.01 0.00 0.08 -0.04 2.28 2.33 1nhxA1 PRO 143 HB3 -0.04 0.06 0.04 -0.04 2.02 2.04 1nhxA1 PRO 143 HG2 0.03 0.02 0.01 -0.04 2.03 2.04 1nhxA1 PRO 143 HG3 0.02 0.03 -0.02 -0.04 2.03 2.02 1nhxA1 PRO 143 HD2 0.08 -0.08 0.25 -0.04 3.68 3.89 1nhxA1 PRO 143 HD3 0.09 0.40 0.38 -0.04 3.65 4.48 1nhxA1 PHE 144 H -0.20 0.69 0.35 -0.55 8.34 8.62 1nhxA1 PHE 144 HA 0.00 0.33 1.14 -0.75 4.62 5.33 1nhxA1 PHE 144 HB2 -0.01 0.09 -0.09 -0.04 3.15 3.09 1nhxA1 PHE 144 HB3 0.01 -0.09 -0.37 -0.04 3.06 2.57 1nhxA1 PHE 144 HD2 0.02 0.14 -0.29 -0.04 7.28 7.10 1nhxA1 PHE 144 HE2 0.10 0.03 -0.27 -0.04 7.38 7.19 1nhxA1 PHE 144 HZ 0.37 0.03 -0.25 -0.04 7.32 7.43 1nhxA1 SER 145 H 0.11 0.67 0.34 -0.55 8.46 9.03 1nhxA1 SER 145 HA -0.02 0.18 0.99 -0.75 4.49 4.88 1nhxA1 SER 145 HB2 -0.01 -0.09 -0.06 -0.04 3.95 3.75 1nhxA1 SER 145 HB3 -0.00 -0.07 0.10 -0.04 3.93 3.91 1nhxA1 MET 146 H 0.00 0.81 0.33 -0.55 8.47 9.07 1nhxA1 MET 146 HA -0.17 0.23 0.94 -0.75 4.52 4.76 1nhxA1 MET 146 HB2 -0.11 -0.01 0.25 -0.04 2.15 2.23 1nhxA1 MET 146 HB3 -0.64 -0.01 0.08 -0.04 2.03 1.42 1nhxA1 MET 146 HG2 -0.26 -0.04 -0.09 -0.04 2.63 2.19 1nhxA1 MET 146 HG3 -0.84 0.00 -0.03 -0.04 2.56 1.65 1nhxA1 MET 146 HE3 -0.24 -0.01 -0.26 -0.04 2.10 1.55 1nhxA1 GLY 147 H -0.22 0.44 0.14 -0.55 8.43 8.25 1nhxA1 GLY 147 HA2 -0.23 0.17 0.33 -0.51 4.01 3.76 1nhxA1 GLY 147 HA3 -0.16 0.13 0.74 -0.51 4.01 4.20 1nhxA1 PRO 148 HA -0.20 -0.02 0.37 -0.51 4.44 4.08 1nhxA1 PRO 148 HB2 -0.14 -0.09 -0.04 -0.04 2.28 1.96 1nhxA1 PRO 148 HB3 -0.22 0.12 0.07 -0.04 2.02 1.95 1nhxA1 PRO 148 HG2 -0.19 0.07 -0.26 -0.04 2.03 1.60 1nhxA1 PRO 148 HG3 -0.33 0.05 0.07 -0.04 2.03 1.77 1nhxA1 PRO 148 HD2 -0.13 0.06 0.07 -0.04 3.68 3.63 1nhxA1 PRO 148 HD3 -0.20 0.24 0.14 -0.04 3.65 3.79 1nhxA1 LEU 149 H -0.10 0.07 0.14 -0.55 8.37 7.93 1nhxA1 LEU 149 HA -0.04 0.04 0.37 -0.75 4.35 3.96 1nhxA1 LEU 149 HB2 -0.05 -0.00 0.12 -0.04 1.64 1.66 1nhxA1 LEU 149 HB3 -0.05 -0.02 0.13 -0.04 1.64 1.66 1nhxA1 LEU 149 HG -0.03 0.04 -0.16 -0.04 1.64 1.45 1nhxA1 LEU 149 HD13 -0.02 0.02 -0.17 -0.04 0.93 0.72 1nhxA1 LEU 149 HD23 -0.02 -0.03 -0.10 -0.04 0.89 0.70 1nhxA1 GLY 150 H -0.03 0.18 0.13 -0.55 8.43 8.16 1nhxA1 GLY 150 HA2 -0.02 0.02 0.28 -0.51 4.01 3.78 1nhxA1 GLY 150 HA3 -0.03 0.06 0.40 -0.51 4.01 3.93 1nhxA1 SER 151 H -0.05 0.46 -0.31 -0.55 8.46 8.01 1nhxA1 SER 151 HA -0.05 0.04 0.33 -0.75 4.49 4.06 1nhxA1 SER 151 HB2 -0.08 -0.05 0.05 -0.04 3.95 3.83 1nhxA1 SER 151 HB3 -0.06 0.17 0.04 -0.04 3.93 4.04 1nhxA1 PRO 152 HA -0.05 0.08 0.50 -0.51 4.44 4.46 1nhxA1 PRO 152 HB2 -0.08 0.07 -0.05 -0.04 2.28 2.18 1nhxA1 PRO 152 HB3 -0.05 -0.02 0.10 -0.04 2.02 2.01 1nhxA1 PRO 152 HG2 -0.06 0.21 0.08 -0.04 2.03 2.22 1nhxA1 PRO 152 HG3 -0.05 -0.02 0.03 -0.04 2.03 1.95 1nhxA1 PRO 152 HD2 -0.05 0.04 0.22 -0.04 3.68 3.84 1nhxA1 PRO 152 HD3 -0.04 0.11 0.14 -0.04 3.65 3.82 1nhxA1 LEU 153 H -0.07 0.12 -0.21 -0.55 8.37 7.68 1nhxA1 LEU 153 HA -0.22 0.15 0.51 -0.75 4.35 4.04 1nhxA1 LEU 153 HB2 -0.01 0.00 -0.09 -0.04 1.64 1.50 1nhxA1 LEU 153 HB3 -0.22 -0.01 0.01 -0.04 1.64 1.38 1nhxA1 LEU 153 HG -0.08 0.01 -0.01 -0.04 1.64 1.51 1nhxA1 LEU 153 HD13 -0.06 0.01 -0.17 -0.04 0.93 0.67 1nhxA1 LEU 153 HD23 -0.18 -0.01 -0.17 -0.04 0.89 0.49 1nhxA1 SER 154 H 0.00 0.23 -0.51 -0.55 8.46 7.64 1nhxA1 SER 154 HA 0.23 0.20 0.63 -0.75 4.49 4.79 1nhxA1 SER 154 HB2 0.01 0.05 -0.07 -0.04 3.95 3.90 1nhxA1 SER 154 HB3 0.03 -0.04 -0.22 -0.04 3.93 3.67 1nhxA1 LYS 155 H 0.33 0.48 0.32 -0.55 8.42 9.00 1nhxA1 LYS 155 HA 0.18 0.19 0.85 -0.75 4.32 4.79 1nhxA1 LYS 155 HB2 0.84 -0.08 -0.03 -0.04 1.87 2.56 1nhxA1 LYS 155 HB3 0.37 -0.03 0.05 -0.04 1.79 2.13 1nhxA1 LYS 155 HG2 0.20 0.15 -0.77 -0.04 1.46 0.99 1nhxA1 LYS 155 HG3 0.21 -0.00 -0.12 -0.04 1.46 1.51 1nhxA1 LYS 155 HD2 0.18 -0.08 -0.10 -0.04 1.69 1.64 1nhxA1 LYS 155 HD3 0.11 -0.01 -0.08 -0.04 1.68 1.66 1nhxA1 LYS 155 HE2 -0.19 0.15 -0.19 -0.04 2.99 2.72 1nhxA1 LYS 155 HE3 0.06 -0.04 -0.12 -0.04 2.99 2.85 1nhxA1 ILE 156 H 0.16 0.23 0.19 -0.55 8.25 8.28 1nhxA1 ILE 156 HA -0.04 0.23 1.12 -0.75 4.18 4.73 1nhxA1 ILE 156 HB 0.05 0.07 0.09 -0.04 1.89 2.07 1nhxA1 ILE 156 HG12 -0.02 -0.02 -0.14 -0.04 1.49 1.26 1nhxA1 ILE 156 HG13 0.03 -0.05 -0.39 -0.04 1.21 0.76 1nhxA1 ILE 156 HG23 -0.08 -0.00 -0.15 -0.04 0.93 0.65 1nhxA1 ILE 156 HD13 0.01 0.00 -0.16 -0.04 0.88 0.70 1nhxA1 GLY 157 H -0.69 0.70 0.41 -0.55 8.43 8.30 1nhxA1 GLY 157 HA2 -0.03 0.09 0.92 -0.51 4.01 4.48 1nhxA1 GLY 157 HA3 -0.50 -0.02 0.32 -0.51 4.01 3.30 1nhxA1 ILE 158 H 0.08 0.63 0.26 -0.55 8.25 8.67 1nhxA1 ILE 158 HA 0.06 0.24 0.83 -0.75 4.18 4.55 1nhxA1 ILE 158 HB 0.03 -0.02 0.12 -0.04 1.89 1.99 1nhxA1 ILE 158 HG12 -0.66 -0.01 -0.39 -0.04 1.49 0.38 1nhxA1 ILE 158 HG13 -1.14 -0.02 -0.10 -0.04 1.21 -0.09 1nhxA1 ILE 158 HG23 0.19 -0.02 -0.23 -0.04 0.93 0.82 1nhxA1 ILE 158 HD13 -0.22 -0.00 -0.05 -0.04 0.88 0.57 1nhxA1 GLU 159 H 0.40 0.64 0.20 -0.55 8.60 9.29 1nhxA1 GLU 159 HA 0.36 0.39 1.17 -0.75 4.29 5.45 1nhxA1 GLU 159 HB2 0.31 -0.06 -0.05 -0.04 2.09 2.25 1nhxA1 GLU 159 HB3 0.16 -0.06 0.08 -0.04 1.99 2.14 1nhxA1 GLU 159 HG2 0.12 -0.07 -0.42 -0.04 2.34 1.93 1nhxA1 GLU 159 HG3 0.20 0.15 -0.17 -0.04 2.34 2.48 1nhxA1 LEU 160 H 0.27 0.73 0.36 -0.55 8.37 9.17 1nhxA1 LEU 160 HA 0.12 0.36 1.03 -0.75 4.35 5.11 1nhxA1 LEU 160 HB2 0.05 -0.05 0.24 -0.04 1.64 1.84 1nhxA1 LEU 160 HB3 0.01 0.00 0.05 -0.04 1.64 1.66 1nhxA1 LEU 160 HG -0.01 0.06 -0.01 -0.04 1.64 1.64 1nhxA1 LEU 160 HD13 -0.63 -0.01 -0.09 -0.04 0.93 0.16 1nhxA1 LEU 160 HD23 -0.02 -0.02 -0.11 -0.04 0.89 0.70 1nhxA1 THR 161 H 0.16 0.57 0.37 -0.55 8.28 8.83 1nhxA1 THR 161 HA 0.21 0.47 0.87 -0.75 4.39 5.19 1nhxA1 THR 161 HB 0.18 0.11 -0.21 -0.04 4.32 4.36 1nhxA1 THR 161 HG23 0.10 -0.01 -0.10 -0.04 1.22 1.17 1nhxA1 ASP 162 H 0.08 0.23 0.18 -0.55 8.40 8.34 1nhxA1 ASP 162 HA 0.15 0.45 1.04 -0.75 4.63 5.51 1nhxA1 ASP 162 HB2 0.00 0.04 0.21 -0.04 2.71 2.92 1nhxA1 ASP 162 HB3 0.01 0.06 0.06 -0.04 2.70 2.78 1nhxA1 SER 163 H 0.14 0.08 -0.25 -0.55 8.46 7.89 1nhxA1 SER 163 HA -0.02 0.37 1.05 -0.75 4.49 5.14 1nhxA1 SER 163 HB2 0.00 0.10 -0.06 -0.04 3.95 3.95 1nhxA1 SER 163 HB3 0.09 -0.00 0.09 -0.04 3.93 4.06 1nhxA1 PRO 164 HA -0.62 0.05 0.49 -0.51 4.44 3.85 1nhxA1 PRO 164 HB2 -0.18 0.07 -0.07 -0.04 2.28 2.06 1nhxA1 PRO 164 HB3 -0.29 0.05 0.07 -0.04 2.02 1.81 1nhxA1 PRO 164 HG2 -0.05 0.03 0.09 -0.04 2.03 2.06 1nhxA1 PRO 164 HG3 -0.02 0.13 0.07 -0.04 2.03 2.17 1nhxA1 PRO 164 HD2 -0.04 0.19 0.31 -0.04 3.68 4.10 1nhxA1 PRO 164 HD3 0.09 0.24 0.04 -0.04 3.65 3.98 1nhxA1 TYR 165 H 0.00 0.21 -0.18 -0.55 8.29 7.77 1nhxA1 TYR 165 HA -0.09 0.10 0.40 -0.75 4.56 4.22 1nhxA1 TYR 165 HB2 -0.03 0.10 0.03 -0.04 3.06 3.12 1nhxA1 TYR 165 HB3 -0.18 -0.03 0.02 -0.04 2.98 2.75 1nhxA1 TYR 165 HD2 0.05 0.03 -0.15 -0.04 7.15 7.04 1nhxA1 TYR 165 HE2 0.16 0.00 -0.11 -0.04 6.85 6.86 1nhxA1 VAL 166 H -0.04 0.12 -0.35 -0.55 8.24 7.42 1nhxA1 VAL 166 HA -0.24 0.06 0.32 -0.75 4.13 3.51 1nhxA1 VAL 166 HB -0.08 0.13 0.09 -0.04 2.12 2.21 1nhxA1 VAL 166 HG13 -0.17 0.00 -0.23 -0.04 0.97 0.53 1nhxA1 VAL 166 HG23 -0.18 -0.00 -0.12 -0.04 0.95 0.61 1nhxA1 VAL 167 H -0.23 0.36 -0.19 -0.55 8.24 7.63 1nhxA1 VAL 167 HA -0.16 0.03 0.27 -0.75 4.13 3.53 1nhxA1 VAL 167 HB -0.41 0.12 0.12 -0.04 2.12 1.91 1nhxA1 VAL 167 HG13 -0.20 -0.01 -0.19 -0.04 0.97 0.53 1nhxA1 VAL 167 HG23 -0.42 0.05 -0.05 -0.04 0.95 0.50 1nhxA1 ALA 168 H -0.24 0.57 -0.20 -0.55 8.40 7.98 1nhxA1 ALA 168 HA -0.16 0.00 0.29 -0.75 4.34 3.71 1nhxA1 ALA 168 HB3 -0.20 0.02 0.01 -0.04 1.41 1.19 1nhxA1 SER 169 H -0.33 0.48 -0.33 -0.55 8.46 7.73 1nhxA1 SER 169 HA -0.21 0.07 0.46 -0.75 4.49 4.06 1nhxA1 SER 169 HB2 -0.40 0.04 0.08 -0.04 3.95 3.63 1nhxA1 SER 169 HB3 -0.30 -0.09 -0.04 -0.04 3.93 3.45 1nhxA1 MET 170 H -0.22 0.78 -0.11 -0.55 8.47 8.37 1nhxA1 MET 170 HA -0.22 -0.06 0.36 -0.75 4.52 3.84 1nhxA1 MET 170 HB2 -0.16 0.12 0.06 -0.04 2.15 2.13 1nhxA1 MET 170 HB3 -0.20 -0.04 -0.13 -0.04 2.03 1.62 1nhxA1 MET 170 HG2 -0.24 0.11 -0.02 -0.04 2.63 2.44 1nhxA1 MET 170 HG3 -0.22 -0.03 -0.12 -0.04 2.56 2.15 1nhxA1 MET 170 HE3 -1.03 0.01 -0.14 -0.04 2.10 0.91 1nhxA1 ARG 171 H -0.12 0.48 -0.28 -0.55 8.46 7.99 1nhxA1 ARG 171 HA -0.04 -0.02 0.36 -0.75 4.34 3.88 1nhxA1 ARG 171 HB2 -0.07 -0.06 0.05 -0.04 1.90 1.78 1nhxA1 ARG 171 HB3 -0.08 0.18 0.05 -0.04 1.80 1.90 1nhxA1 ARG 171 HG2 -0.03 0.07 -0.11 -0.04 1.67 1.56 1nhxA1 ARG 171 HG3 -0.02 -0.03 0.07 -0.04 1.67 1.64 1nhxA1 ARG 171 HD2 -0.04 -0.12 -0.06 -0.04 3.22 2.95 1nhxA1 ARG 171 HD3 -0.04 0.02 -0.05 -0.04 3.22 3.12 1nhxA1 ILE 172 H -0.10 0.23 -0.41 -0.55 8.25 7.43 1nhxA1 ILE 172 HA -0.05 0.10 0.57 -0.75 4.18 4.05 1nhxA1 ILE 172 HB -0.08 0.08 0.06 -0.04 1.89 1.91 1nhxA1 ILE 172 HG12 -0.03 0.03 0.03 -0.04 1.49 1.48 1nhxA1 ILE 172 HG13 -0.05 -0.06 -0.04 -0.04 1.21 1.02 1nhxA1 ILE 172 HG23 -0.06 -0.03 -0.50 -0.04 0.93 0.30 1nhxA1 ILE 172 HD13 -0.04 0.03 -0.00 -0.04 0.88 0.83 1nhxA1 MET 173 H -0.12 0.46 -0.04 -0.55 8.47 8.23 1nhxA1 MET 173 HA -0.10 -0.06 0.18 -0.75 4.52 3.79 1nhxA1 MET 173 HB2 -0.18 0.03 -0.03 -0.04 2.15 1.93 1nhxA1 MET 173 HB3 -0.15 -0.09 -0.02 -0.04 2.03 1.72 1nhxA1 MET 173 HG2 -0.11 0.18 -0.07 -0.04 2.63 2.60 1nhxA1 MET 173 HG3 -0.19 -0.09 -0.12 -0.04 2.56 2.12 1nhxA1 MET 173 HE3 -0.03 -0.02 -0.17 -0.04 2.10 1.84 1nhxA1 THR 174 H -0.08 0.55 -0.32 -0.55 8.28 7.88 1nhxA1 THR 174 HA -0.04 0.15 0.75 -0.75 4.39 4.49 1nhxA1 THR 174 HB 0.11 0.13 0.05 -0.04 4.32 4.56 1nhxA1 THR 174 HG23 -0.27 -0.05 -0.26 -0.04 1.22 0.60 1nhxA1 ARG 175 H 0.02 0.42 0.21 -0.55 8.46 8.55 1nhxA1 ARG 175 HA 0.01 0.16 0.84 -0.75 4.34 4.60 1nhxA1 ARG 175 HB2 -0.00 0.06 0.22 -0.04 1.90 2.13 1nhxA1 ARG 175 HB3 -0.00 -0.07 0.02 -0.04 1.80 1.70 1nhxA1 ARG 175 HG2 -0.05 -0.11 0.05 -0.04 1.67 1.52 1nhxA1 ARG 175 HG3 -0.01 0.05 0.06 -0.04 1.67 1.73 1nhxA1 ARG 175 HD2 -0.03 -0.05 -0.15 -0.04 3.22 2.95 1nhxA1 ARG 175 HD3 -0.07 0.24 -0.07 -0.04 3.22 3.28 1nhxA1 MET 176 H 0.02 0.27 0.14 -0.55 8.47 8.36 1nhxA1 MET 176 HA 0.10 0.34 0.98 -0.75 4.52 5.18 1nhxA1 MET 176 HB2 0.02 0.10 -0.41 -0.04 2.15 1.83 1nhxA1 MET 176 HB3 0.01 -0.03 0.00 -0.04 2.03 1.98 1nhxA1 MET 176 HG2 0.09 0.13 -0.17 -0.04 2.63 2.65 1nhxA1 MET 176 HG3 0.01 -0.04 -0.27 -0.04 2.56 2.21 1nhxA1 MET 176 HE3 -0.03 0.01 -0.09 -0.04 2.10 1.95 1nhxA1 GLY 177 H 0.06 0.72 0.28 -0.55 8.43 8.95 1nhxA1 GLY 177 HA2 0.05 0.09 0.02 -0.51 4.01 3.66 1nhxA1 GLY 177 HA3 0.03 0.21 0.32 -0.51 4.01 4.06 1nhxA1 THR 178 H 0.02 0.42 0.25 -0.55 8.28 8.42 1nhxA1 THR 178 HA 0.01 0.03 0.36 -0.75 4.39 4.03 1nhxA1 THR 178 HB 0.01 0.07 0.18 -0.04 4.32 4.53 1nhxA1 THR 178 HG23 0.00 -0.00 0.00 -0.04 1.22 1.18 1nhxA1 PRO 179 HA -0.00 0.05 0.40 -0.51 4.44 4.38 1nhxA1 PRO 179 HB2 -0.00 0.07 -0.14 -0.04 2.28 2.17 1nhxA1 PRO 179 HB3 -0.00 0.05 0.03 -0.04 2.02 2.06 1nhxA1 PRO 179 HG2 0.00 0.11 0.00 -0.04 2.03 2.10 1nhxA1 PRO 179 HG3 0.00 0.01 0.05 -0.04 2.03 2.05 1nhxA1 PRO 179 HD2 0.01 0.14 -0.22 -0.04 3.68 3.57 1nhxA1 PRO 179 HD3 0.01 0.06 0.16 -0.04 3.65 3.85 1nhxA1 VAL 180 H 0.01 0.33 -0.51 -0.55 8.24 7.51 1nhxA1 VAL 180 HA -0.01 0.07 0.40 -0.75 4.13 3.84 1nhxA1 VAL 180 HB 0.01 0.18 -0.04 -0.04 2.12 2.23 1nhxA1 VAL 180 HG13 -0.03 -0.02 -0.45 -0.04 0.97 0.43 1nhxA1 VAL 180 HG23 0.02 0.03 -0.25 -0.04 0.95 0.71 1nhxA1 LEU 181 H -0.01 0.33 -0.02 -0.55 8.37 8.13 1nhxA1 LEU 181 HA -0.03 0.05 0.45 -0.75 4.35 4.06 1nhxA1 LEU 181 HB2 -0.01 0.08 0.16 -0.04 1.64 1.83 1nhxA1 LEU 181 HB3 -0.01 0.01 -0.02 -0.04 1.64 1.57 1nhxA1 LEU 181 HG -0.01 0.03 0.01 -0.04 1.64 1.63 1nhxA1 LEU 181 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.82 1nhxA1 LEU 181 HD23 -0.06 -0.00 0.00 -0.04 0.89 0.79 1nhxA1 GLU 182 H -0.00 0.46 -0.25 -0.55 8.60 8.26 1nhxA1 GLU 182 HA -0.00 0.02 0.42 -0.75 4.29 3.97 1nhxA1 GLU 182 HB2 -0.00 0.09 0.11 -0.04 2.09 2.24 1nhxA1 GLU 182 HB3 -0.00 -0.02 -0.02 -0.04 1.99 1.91 1nhxA1 GLU 182 HG2 -0.00 -0.03 -0.01 -0.04 2.34 2.26 1nhxA1 GLU 182 HG3 -0.00 0.17 -0.01 -0.04 2.34 2.46 1nhxA1 ALA 183 H -0.01 0.47 -0.11 -0.55 8.40 8.21 1nhxA1 ALA 183 HA -0.00 0.02 0.53 -0.75 4.34 4.14 1nhxA1 ALA 183 HB3 -0.01 0.00 0.06 -0.04 1.41 1.42 1nhxA1 LEU 184 H -0.01 0.41 -0.32 -0.55 8.37 7.91 1nhxA1 LEU 184 HA 0.02 0.02 0.27 -0.75 4.35 3.91 1nhxA1 LEU 184 HB2 -0.01 -0.03 -0.01 -0.04 1.64 1.55 1nhxA1 LEU 184 HB3 -0.02 0.05 0.14 -0.04 1.64 1.77 1nhxA1 LEU 184 HG 0.05 0.18 -0.38 -0.04 1.64 1.45 1nhxA1 LEU 184 HD13 0.13 -0.01 -0.29 -0.04 0.93 0.72 1nhxA1 LEU 184 HD23 -0.12 -0.05 -0.15 -0.04 0.89 0.53 1nhxA1 GLY 185 H 0.01 0.43 -0.13 -0.55 8.43 8.19 1nhxA1 GLY 185 HA2 0.01 0.02 0.33 -0.51 4.01 3.86 1nhxA1 GLY 185 HA3 0.02 -0.01 0.43 -0.51 4.01 3.94 1nhxA1 ASP 186 H 0.02 0.12 0.19 -0.55 8.40 8.19 1nhxA1 ASP 186 HA 0.06 0.08 0.76 -0.75 4.63 4.77 1nhxA1 ASP 186 HB2 0.02 0.02 0.15 -0.04 2.71 2.86 1nhxA1 ASP 186 HB3 0.03 -0.01 0.22 -0.04 2.70 2.90 1nhxA1 GLY 187 H 0.05 0.59 -0.31 -0.55 8.43 8.22 1nhxA1 GLY 187 HA2 0.02 -0.03 0.45 -0.51 4.01 3.95 1nhxA1 GLY 187 HA3 0.04 0.15 0.34 -0.51 4.01 4.03 1nhxA1 GLU 188 H 0.01 0.07 0.16 -0.55 8.60 8.29 1nhxA1 GLU 188 HA -0.12 0.05 0.53 -0.75 4.29 4.00 1nhxA1 GLU 188 HB2 -0.04 0.01 0.08 -0.04 2.09 2.10 1nhxA1 GLU 188 HB3 -0.12 0.05 0.04 -0.04 1.99 1.92 1nhxA1 GLU 188 HG2 -0.06 -0.02 0.02 -0.04 2.34 2.24 1nhxA1 GLU 188 HG3 -0.04 -0.00 0.06 -0.04 2.34 2.32 1nhxA1 PHE 189 H -0.53 0.22 0.20 -0.55 8.34 7.68 1nhxA1 PHE 189 HA -0.07 0.26 0.64 -0.75 4.62 4.69 1nhxA1 PHE 189 HB2 -0.11 -0.05 -0.20 -0.04 3.15 2.74 1nhxA1 PHE 189 HB3 -0.07 0.08 -0.29 -0.04 3.06 2.74 1nhxA1 PHE 189 HD2 -0.14 0.15 -0.42 -0.04 7.28 6.83 1nhxA1 PHE 189 HE2 -0.35 -0.09 -0.20 -0.04 7.38 6.70 1nhxA1 PHE 189 HZ 0.00 0.12 -0.19 -0.04 7.32 7.21 1nhxA1 VAL 190 H 0.01 0.52 0.37 -0.55 8.24 8.59 1nhxA1 VAL 190 HA -0.22 0.23 0.89 -0.75 4.13 4.28 1nhxA1 VAL 190 HB -0.37 -0.08 0.05 -0.04 2.12 1.68 1nhxA1 VAL 190 HG13 -0.25 -0.00 -0.28 -0.04 0.97 0.39 1nhxA1 VAL 190 HG23 -0.58 0.02 -0.07 -0.04 0.95 0.28 1nhxA1 LYS 191 H -0.22 0.74 0.39 -0.55 8.42 8.78 1nhxA1 LYS 191 HA -0.38 0.03 0.67 -0.75 4.32 3.88 1nhxA1 LYS 191 HB2 -0.26 0.13 0.32 -0.04 1.87 2.02 1nhxA1 LYS 191 HB3 -0.47 -0.06 0.05 -0.04 1.79 1.28 1nhxA1 LYS 191 HG2 -1.28 -0.06 0.03 -0.04 1.46 0.11 1nhxA1 LYS 191 HG3 -0.61 0.11 0.07 -0.04 1.46 0.99 1nhxA1 LYS 191 HD2 -0.23 0.07 0.03 -0.04 1.69 1.52 1nhxA1 LYS 191 HD3 -0.22 -0.07 0.02 -0.04 1.68 1.37 1nhxA1 LYS 191 HE2 -0.34 -0.04 0.03 -0.04 2.99 2.60 1nhxA1 LYS 191 HE3 -0.37 0.10 0.06 -0.04 2.99 2.74 1nhxA1 CYS 192 H 0.28 0.59 0.42 -0.55 8.50 9.25 1nhxA1 CYS 192 HA 0.20 0.27 1.09 -0.75 4.58 5.39 1nhxA1 CYS 192 HB2 0.38 -0.03 0.13 -0.04 2.97 3.40 1nhxA1 CYS 192 HB3 0.26 -0.03 -0.02 -0.04 2.97 3.14 1nhxA1 LEU 193 H 0.23 0.78 0.43 -0.55 8.37 9.25 1nhxA1 LEU 193 HA 0.24 0.14 1.08 -0.75 4.35 5.06 1nhxA1 LEU 193 HB2 0.21 -0.02 -0.00 -0.04 1.64 1.79 1nhxA1 LEU 193 HB3 0.12 -0.00 0.22 -0.04 1.64 1.94 1nhxA1 LEU 193 HG 0.15 -0.00 -0.26 -0.04 1.64 1.49 1nhxA1 LEU 193 HD13 0.13 0.01 -0.00 -0.04 0.93 1.03 1nhxA1 LEU 193 HD23 -0.23 -0.01 -0.06 -0.04 0.89 0.55 1nhxA1 HIS 194 H 0.27 0.65 0.38 -0.55 8.41 9.17 1nhxA1 HIS 194 HA 0.27 0.44 1.12 -0.75 4.63 5.71 1nhxA1 HIS 194 HB2 0.13 0.03 -0.05 -0.04 3.26 3.34 1nhxA1 HIS 194 HB3 0.11 -0.01 0.12 -0.04 3.20 3.37 1nhxA1 HIS 194 HD2 0.09 0.08 -0.11 -0.04 6.97 6.98 1nhxA1 HIS 194 HE1 -0.08 -0.11 -0.15 -0.04 7.75 7.37 1nhxA1 SER 195 H -0.26 0.68 0.38 -0.55 8.46 8.72 1nhxA1 SER 195 HA -0.33 -0.05 0.64 -0.75 4.49 3.99 1nhxA1 SER 195 HB2 -0.01 0.09 -0.06 -0.04 3.95 3.93 1nhxA1 SER 195 HB3 -0.33 0.08 0.05 -0.04 3.93 3.69 1nhxA1 VAL 196 H -0.35 0.16 0.02 -0.55 8.24 7.52 1nhxA1 VAL 196 HA -0.35 0.06 0.28 -0.75 4.13 3.37 1nhxA1 VAL 196 HB -0.26 0.10 -0.31 -0.04 2.12 1.61 1nhxA1 VAL 196 HG13 -0.21 -0.02 -0.14 -0.04 0.97 0.55 1nhxA1 VAL 196 HG23 -0.20 -0.01 -0.10 -0.04 0.95 0.59 1nhxA1 GLY 197 H -0.51 0.02 -0.36 -0.55 8.43 7.04 1nhxA1 GLY 197 HA2 -0.64 0.11 0.19 -0.51 4.01 3.16 1nhxA1 GLY 197 HA3 -1.11 0.06 0.24 -0.51 4.01 2.70 1nhxA1 CYS 198 H -0.21 -0.03 -0.29 -0.55 8.50 7.42 1nhxA1 CYS 198 HA -0.07 0.22 0.82 -0.75 4.58 4.79 1nhxA1 CYS 198 HB2 -0.11 -0.10 0.02 -0.04 2.97 2.74 1nhxA1 CYS 198 HB3 -0.06 0.00 0.05 -0.04 2.97 2.92 1nhxA1 PRO 199 HA -0.04 0.07 0.38 -0.51 4.44 4.34 1nhxA1 PRO 199 HB2 -0.02 0.07 -0.06 -0.04 2.28 2.23 1nhxA1 PRO 199 HB3 -0.03 0.04 0.04 -0.04 2.02 2.04 1nhxA1 PRO 199 HG2 -0.02 -0.03 -0.01 -0.04 2.03 1.93 1nhxA1 PRO 199 HG3 -0.01 0.08 -0.03 -0.04 2.03 2.02 1nhxA1 PRO 199 HD2 -0.03 0.10 0.02 -0.04 3.68 3.72 1nhxA1 PRO 199 HD3 -0.04 0.07 -0.15 -0.04 3.65 3.49 1nhxA1 LEU 200 H -0.03 0.74 0.27 -0.55 8.37 8.81 1nhxA1 LEU 200 HA -0.02 -0.07 0.47 -0.75 4.35 3.98 1nhxA1 LEU 200 HB2 -0.01 -0.02 0.10 -0.04 1.64 1.67 1nhxA1 LEU 200 HB3 -0.01 -0.11 0.10 -0.04 1.64 1.58 1nhxA1 LEU 200 HG -0.01 0.07 0.05 -0.04 1.64 1.70 1nhxA1 LEU 200 HD13 0.00 -0.03 0.07 -0.04 0.93 0.93 1nhxA1 LEU 200 HD23 -0.02 0.00 -0.11 -0.04 0.89 0.72 1nhxA1 PRO 201 HA -0.01 -0.05 0.39 -0.51 4.44 4.27 1nhxA1 PRO 201 HB2 -0.00 0.11 -0.07 -0.04 2.28 2.28 1nhxA1 PRO 201 HB3 -0.00 -0.04 0.08 -0.04 2.02 2.02 1nhxA1 PRO 201 HG2 -0.01 0.05 0.01 -0.04 2.03 2.05 1nhxA1 PRO 201 HG3 -0.01 -0.03 0.05 -0.04 2.03 2.01 1nhxA1 PRO 201 HD2 -0.01 0.14 0.27 -0.04 3.68 4.04 1nhxA1 PRO 201 HD3 -0.01 0.02 0.16 -0.04 3.65 3.78 1nhxA1 LEU 202 H -0.01 0.02 0.14 -0.55 8.37 7.98 1nhxA1 LEU 202 HA -0.01 0.22 0.47 -0.75 4.35 4.28 1nhxA1 LEU 202 HB2 -0.00 -0.08 0.11 -0.04 1.64 1.63 1nhxA1 LEU 202 HB3 -0.00 0.13 0.06 -0.04 1.64 1.79 1nhxA1 LEU 202 HG -0.01 -0.08 0.08 -0.04 1.64 1.59 1nhxA1 LEU 202 HD13 0.00 -0.01 0.01 -0.04 0.93 0.89 1nhxA1 LEU 202 HD23 -0.02 0.05 -0.06 -0.04 0.89 0.82 1nhxA1 GLN 203 H -0.01 0.19 0.24 -0.55 8.47 8.35 1nhxA1 GLN 203 HA -0.00 0.11 0.69 -0.75 4.36 4.40 1nhxA1 GLN 203 HB2 -0.00 0.01 0.11 -0.04 2.15 2.23 1nhxA1 GLN 203 HB3 -0.00 -0.07 0.11 -0.04 2.02 2.02 1nhxA1 GLN 203 HG2 -0.01 0.19 0.05 -0.04 2.40 2.59 1nhxA1 GLN 203 HG3 -0.01 -0.03 0.03 -0.04 2.39 2.34 1nhxA1 GLN 203 HE21 -0.01 -0.14 -0.15 -0.04 6.97 6.63 1nhxA1 GLN 203 HE22 -0.01 0.59 -0.16 -0.04 7.69 8.07 1nhxA1 LYS 204 H -0.00 0.13 0.00 -0.55 8.42 8.00 1nhxA1 LYS 204 HA 0.01 0.16 0.82 -0.75 4.32 4.56 1nhxA1 LYS 204 HB2 0.00 -0.01 0.05 -0.04 1.87 1.88 1nhxA1 LYS 204 HB3 0.01 0.05 0.09 -0.04 1.79 1.90 1nhxA1 LYS 204 HG2 0.01 0.05 0.03 -0.04 1.46 1.51 1nhxA1 LYS 204 HG3 0.01 -0.04 -0.30 -0.04 1.46 1.09 1nhxA1 LYS 204 HD2 0.01 0.02 0.03 -0.04 1.69 1.71 1nhxA1 LYS 204 HD3 0.01 -0.03 0.04 -0.04 1.68 1.66 1nhxA1 LYS 204 HE2 0.01 -0.04 0.02 -0.04 2.99 2.93 1nhxA1 LYS 204 HE3 0.01 0.03 -0.02 -0.04 2.99 2.97 1nhxA1 PRO 205 HA 0.01 0.03 0.43 -0.51 4.44 4.40 1nhxA1 PRO 205 HB2 0.02 -0.01 -0.03 -0.04 2.28 2.22 1nhxA1 PRO 205 HB3 0.01 0.02 0.06 -0.04 2.02 2.08 1nhxA1 PRO 205 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 1nhxA1 PRO 205 HG3 0.01 0.05 0.07 -0.04 2.03 2.11 1nhxA1 PRO 205 HD2 0.01 0.09 0.20 -0.04 3.68 3.95 1nhxA1 PRO 205 HD3 0.01 0.18 0.21 -0.04 3.65 4.00 1nhxA1 LEU 206 H 0.02 0.15 0.16 -0.55 8.37 8.16 1nhxA1 LEU 206 HA 0.04 0.18 0.83 -0.75 4.35 4.65 1nhxA1 LEU 206 HB2 0.02 0.09 -0.00 -0.04 1.64 1.71 1nhxA1 LEU 206 HB3 0.03 -0.04 0.15 -0.04 1.64 1.74 1nhxA1 LEU 206 HG 0.06 -0.15 -0.29 -0.04 1.64 1.22 1nhxA1 LEU 206 HD13 0.02 0.04 -0.25 -0.04 0.93 0.70 1nhxA1 LEU 206 HD23 0.02 0.03 -0.04 -0.04 0.89 0.85 1nhxA1 VAL 207 H 0.09 0.28 0.10 -0.55 8.24 8.16 1nhxA1 VAL 207 HA 0.04 0.12 0.78 -0.75 4.13 4.32 1nhxA1 VAL 207 HB 0.08 -0.01 0.14 -0.04 2.12 2.29 1nhxA1 VAL 207 HG13 0.00 0.02 -0.02 -0.04 0.97 0.93 1nhxA1 VAL 207 HG23 0.04 0.02 -0.09 -0.04 0.95 0.88 1nhxA1 ASN 208 H 0.04 0.15 0.14 -0.55 8.53 8.31 1nhxA1 ASN 208 HA 0.06 0.03 0.29 -0.75 4.76 4.39 1nhxA1 ASN 208 HB2 0.07 0.09 -0.24 -0.04 2.88 2.76 1nhxA1 ASN 208 HB3 0.07 0.07 0.14 -0.04 2.79 3.04 1nhxA1 ASN 208 HD21 -0.11 -0.04 -0.05 -0.04 7.03 6.79 1nhxA1 ASN 208 HD22 -0.03 0.17 -0.24 -0.04 7.74 7.60 1nhxA1 ASN 209 H 0.09 0.03 -0.51 -0.55 8.53 7.58 1nhxA1 ASN 209 HA 0.07 -0.06 0.13 -0.75 4.76 4.15 1nhxA1 ASN 209 HB2 0.11 0.33 -0.29 -0.04 2.88 2.98 1nhxA1 ASN 209 HB3 0.08 -0.04 0.07 -0.04 2.79 2.85 1nhxA1 ASN 209 HD21 0.05 -0.07 -0.04 -0.04 7.03 6.93 1nhxA1 ASN 209 HD22 0.07 0.01 -0.28 -0.04 7.74 7.50 1nhxA1 TRP 210 H 0.24 0.40 -0.44 -0.55 7.97 7.62 1nhxA1 TRP 210 HA -0.02 0.16 0.89 -0.75 4.62 4.90 1nhxA1 TRP 210 HB2 -0.01 0.30 0.05 -0.04 3.23 3.53 1nhxA1 TRP 210 HB3 0.01 0.01 0.16 -0.04 3.23 3.38 1nhxA1 TRP 210 HD1 0.01 -0.04 -0.06 -0.04 7.22 7.09 1nhxA1 TRP 210 HE1 0.05 -0.12 -0.00 -0.04 10.20 10.09 1nhxA1 TRP 210 HE3 -0.17 0.20 -0.05 -0.04 7.59 7.52 1nhxA1 TRP 210 HZ2 0.06 -0.22 -0.38 -0.04 7.44 6.86 1nhxA1 TRP 210 HZ3 -1.29 -0.02 -0.11 -0.04 7.13 5.66 1nhxA1 TRP 210 HH2 -0.75 -0.01 -0.22 -0.04 7.19 6.17 1nhxA1 PRO 211 HA -0.04 0.06 0.49 -0.51 4.44 4.44 1nhxA1 PRO 211 HB2 -0.17 -0.01 -0.10 -0.04 2.28 1.96 1nhxA1 PRO 211 HB3 -0.10 0.07 0.05 -0.04 2.02 2.00 1nhxA1 PRO 211 HG2 -0.30 -0.08 0.08 -0.04 2.03 1.68 1nhxA1 PRO 211 HG3 -0.14 0.08 0.06 -0.04 2.03 1.99 1nhxA1 PRO 211 HD2 -0.43 0.04 0.25 -0.04 3.68 3.50 1nhxA1 PRO 211 HD3 -0.10 0.28 -0.04 -0.04 3.65 3.75 1nhxA1 CYS 212 H -0.02 0.34 0.27 -0.55 8.50 8.54 1nhxA1 CYS 212 HA -0.09 0.11 0.39 -0.75 4.58 4.23 1nhxA1 CYS 212 HB2 0.13 0.11 0.17 -0.04 2.97 3.34 1nhxA1 CYS 212 HB3 0.23 -0.01 -0.01 -0.04 2.97 3.13 1nhxA1 ASN 213 H -0.06 0.68 0.24 -0.55 8.53 8.84 1nhxA1 ASN 213 HA 0.00 0.14 0.89 -0.75 4.76 5.04 1nhxA1 ASN 213 HB2 -0.14 0.19 -0.01 -0.04 2.88 2.88 1nhxA1 ASN 213 HB3 -0.07 -0.08 0.17 -0.04 2.79 2.76 1nhxA1 ASN 213 HD21 0.08 -0.06 0.06 -0.04 7.03 7.07 1nhxA1 ASN 213 HD22 0.04 0.44 0.16 -0.04 7.74 8.33 1nhxA1 PRO 214 HA 0.07 0.09 0.33 -0.51 4.44 4.42 1nhxA1 PRO 214 HB2 0.05 0.00 0.06 -0.04 2.28 2.36 1nhxA1 PRO 214 HB3 0.06 0.10 0.08 -0.04 2.02 2.21 1nhxA1 PRO 214 HG2 0.06 0.01 0.04 -0.04 2.03 2.09 1nhxA1 PRO 214 HG3 0.08 0.02 -0.05 -0.04 2.03 2.04 1nhxA1 PRO 214 HD2 0.04 0.08 0.14 -0.04 3.68 3.90 1nhxA1 PRO 214 HD3 0.05 0.25 -0.30 -0.04 3.65 3.61 1nhxA1 GLU 215 H 0.05 0.11 -0.08 -0.55 8.60 8.13 1nhxA1 GLU 215 HA 0.04 0.05 0.36 -0.75 4.29 4.00 1nhxA1 GLU 215 HB2 0.04 0.02 0.04 -0.04 2.09 2.14 1nhxA1 GLU 215 HB3 0.03 0.03 0.03 -0.04 1.99 2.04 1nhxA1 GLU 215 HG2 0.02 0.01 0.03 -0.04 2.34 2.37 1nhxA1 GLU 215 HG3 0.03 -0.01 0.04 -0.04 2.34 2.36 1nhxA1 LEU 216 H 0.09 0.13 -0.36 -0.55 8.37 7.69 1nhxA1 LEU 216 HA 0.06 0.18 0.78 -0.75 4.35 4.61 1nhxA1 LEU 216 HB2 0.28 0.02 0.02 -0.04 1.64 1.91 1nhxA1 LEU 216 HB3 0.04 0.01 0.09 -0.04 1.64 1.74 1nhxA1 LEU 216 HG 0.05 -0.15 -0.16 -0.04 1.64 1.34 1nhxA1 LEU 216 HD13 0.02 0.02 0.02 -0.04 0.93 0.95 1nhxA1 LEU 216 HD23 -0.03 0.02 -0.07 -0.04 0.89 0.77 1nhxA1 THR 217 H 0.11 0.27 -0.26 -0.55 8.28 7.85 1nhxA1 THR 217 HA 0.19 0.23 0.51 -0.75 4.39 4.56 1nhxA1 THR 217 HB 0.10 0.10 0.17 -0.04 4.32 4.65 1nhxA1 THR 217 HG23 0.12 -0.04 -0.14 -0.04 1.22 1.12 1nhxA1 LEU 218 H 0.23 0.50 0.41 -0.55 8.37 8.96 1nhxA1 LEU 218 HA 0.15 0.28 0.80 -0.75 4.35 4.83 1nhxA1 LEU 218 HB2 0.13 0.13 -0.19 -0.04 1.64 1.68 1nhxA1 LEU 218 HB3 0.21 -0.05 0.08 -0.04 1.64 1.85 1nhxA1 LEU 218 HG 0.27 -0.06 -0.30 -0.04 1.64 1.52 1nhxA1 LEU 218 HD13 0.14 0.04 -0.04 -0.04 0.93 1.03 1nhxA1 LEU 218 HD23 0.24 -0.03 -0.12 -0.04 0.89 0.93 1nhxA1 ILE 219 H 0.16 0.73 0.35 -0.55 8.25 8.94 1nhxA1 ILE 219 HA 0.16 0.17 1.17 -0.75 4.18 4.93 1nhxA1 ILE 219 HB 0.16 -0.02 0.17 -0.04 1.89 2.16 1nhxA1 ILE 219 HG12 0.16 -0.05 0.02 -0.04 1.49 1.58 1nhxA1 ILE 219 HG13 0.18 0.05 -0.11 -0.04 1.21 1.29 1nhxA1 ILE 219 HG23 0.09 0.00 -0.07 -0.04 0.93 0.91 1nhxA1 ILE 219 HD13 0.15 -0.01 -0.15 -0.04 0.88 0.82 1nhxA1 ALA 220 H 0.06 0.94 0.44 -0.55 8.40 9.30 1nhxA1 ALA 220 HA 0.04 0.33 1.09 -0.75 4.34 5.04 1nhxA1 ALA 220 HB3 -0.13 -0.02 -0.01 -0.04 1.41 1.20 1nhxA1 HIS 221 H 0.06 0.35 0.35 -0.55 8.41 8.63 1nhxA1 HIS 221 HA -0.04 0.19 1.06 -0.75 4.63 5.09 1nhxA1 HIS 221 HB2 0.01 -0.05 0.27 -0.04 3.26 3.45 1nhxA1 HIS 221 HB3 0.02 -0.00 0.10 -0.04 3.20 3.26 1nhxA1 HIS 221 HD2 0.10 0.07 0.03 -0.04 6.97 7.12 1nhxA1 HIS 221 HE1 0.10 0.00 -0.13 -0.04 7.75 7.67 1nhxA1 LEU 222 H -0.06 0.86 0.27 -0.55 8.37 8.89 1nhxA1 LEU 222 HA -0.08 0.31 1.04 -0.75 4.35 4.86 1nhxA1 LEU 222 HB2 -0.14 0.05 0.18 -0.04 1.64 1.69 1nhxA1 LEU 222 HB3 -0.11 -0.12 0.14 -0.04 1.64 1.51 1nhxA1 LEU 222 HG -0.31 0.06 -0.03 -0.04 1.64 1.32 1nhxA1 LEU 222 HD13 -0.72 -0.03 -0.39 -0.04 0.93 -0.25 1nhxA1 LEU 222 HD23 -0.17 -0.01 -0.07 -0.04 0.89 0.61 1nhxA1 PRO 223 HA -0.03 0.08 0.36 -0.51 4.44 4.34 1nhxA1 PRO 223 HB2 -0.01 -0.02 0.08 -0.04 2.28 2.28 1nhxA1 PRO 223 HB3 -0.01 0.11 0.11 -0.04 2.02 2.19 1nhxA1 PRO 223 HG2 0.05 0.06 0.07 -0.04 2.03 2.17 1nhxA1 PRO 223 HG3 0.05 0.12 0.06 -0.04 2.03 2.22 1nhxA1 PRO 223 HD2 0.02 0.23 0.27 -0.04 3.68 4.16 1nhxA1 PRO 223 HD3 0.03 0.25 -0.19 -0.04 3.65 3.70 1nhxA1 ASP 224 H -0.02 0.14 -0.01 -0.55 8.40 7.96 1nhxA1 ASP 224 HA -0.05 0.14 0.51 -0.75 4.63 4.48 1nhxA1 ASP 224 HB2 -0.02 -0.03 0.07 -0.04 2.71 2.69 1nhxA1 ASP 224 HB3 -0.03 0.03 0.09 -0.04 2.70 2.75 1nhxA1 ARG 225 H -0.06 0.18 -0.33 -0.55 8.46 7.69 1nhxA1 ARG 225 HA -0.08 0.15 0.72 -0.75 4.34 4.37 1nhxA1 ARG 225 HB2 -0.08 0.04 0.08 -0.04 1.90 1.89 1nhxA1 ARG 225 HB3 -0.09 0.02 0.06 -0.04 1.80 1.74 1nhxA1 ARG 225 HG2 -0.06 0.04 -0.03 -0.04 1.67 1.58 1nhxA1 ARG 225 HG3 -0.05 -0.10 -0.08 -0.04 1.67 1.39 1nhxA1 ARG 225 HD2 -0.07 0.02 -0.03 -0.04 3.22 3.10 1nhxA1 ARG 225 HD3 -0.06 0.02 -0.02 -0.04 3.22 3.11 1nhxA1 ARG 226 H -0.09 0.32 -0.27 -0.55 8.46 7.88 1nhxA1 ARG 226 HA -0.12 0.02 0.34 -0.75 4.34 3.82 1nhxA1 ARG 226 HB2 -0.18 0.14 0.04 -0.04 1.90 1.85 1nhxA1 ARG 226 HB3 -0.21 -0.08 0.34 -0.04 1.80 1.81 1nhxA1 ARG 226 HG2 -0.15 -0.03 -0.01 -0.04 1.67 1.43 1nhxA1 ARG 226 HG3 -0.13 0.03 0.07 -0.04 1.67 1.60 1nhxA1 ARG 226 HD2 -0.12 -0.00 -0.26 -0.04 3.22 2.79 1nhxA1 ARG 226 HD3 -0.11 -0.06 -0.04 -0.04 3.22 2.97 1nhxA1 GLU 227 H -0.09 0.38 0.02 -0.55 8.60 8.37 1nhxA1 GLU 227 HA -0.08 0.37 1.09 -0.75 4.29 4.91 1nhxA1 GLU 227 HB2 -0.09 -0.11 0.00 -0.04 2.09 1.85 1nhxA1 GLU 227 HB3 -0.05 -0.01 -0.13 -0.04 1.99 1.76 1nhxA1 GLU 227 HG2 -0.06 0.00 -0.01 -0.04 2.34 2.23 1nhxA1 GLU 227 HG3 -0.12 0.22 -0.36 -0.04 2.34 2.04 1nhxA1 ILE 228 H 0.02 0.90 0.42 -0.55 8.25 9.04 1nhxA1 ILE 228 HA -0.08 0.22 1.03 -0.75 4.18 4.59 1nhxA1 ILE 228 HB 0.10 -0.05 0.12 -0.04 1.89 2.02 1nhxA1 ILE 228 HG12 0.07 0.05 -0.05 -0.04 1.49 1.51 1nhxA1 ILE 228 HG13 0.02 -0.07 -0.47 -0.04 1.21 0.64 1nhxA1 ILE 228 HG23 -0.02 0.01 -0.13 -0.04 0.93 0.75 1nhxA1 ILE 228 HD13 0.17 -0.01 -0.29 -0.04 0.88 0.72 1nhxA1 ILE 229 H -0.04 0.72 0.28 -0.55 8.25 8.65 1nhxA1 ILE 229 HA 0.17 0.23 1.14 -0.75 4.18 4.96 1nhxA1 ILE 229 HB 0.23 -0.05 0.06 -0.04 1.89 2.09 1nhxA1 ILE 229 HG12 0.08 0.05 -0.15 -0.04 1.49 1.43 1nhxA1 ILE 229 HG13 0.02 -0.12 -0.56 -0.04 1.21 0.51 1nhxA1 ILE 229 HG23 0.21 0.01 -0.11 -0.04 0.93 1.00 1nhxA1 ILE 229 HD13 0.02 -0.01 -0.12 -0.04 0.88 0.73 1nhxA1 SER 230 H 0.36 0.75 0.46 -0.55 8.46 9.48 1nhxA1 SER 230 HA 0.30 0.32 1.31 -0.75 4.49 5.67 1nhxA1 SER 230 HB2 0.19 -0.06 -0.05 -0.04 3.95 3.99 1nhxA1 SER 230 HB3 0.37 -0.09 0.19 -0.04 3.93 4.36 1nhxA1 PHE 231 H 0.33 0.69 0.42 -0.55 8.34 9.23 1nhxA1 PHE 231 HA -0.12 0.17 1.09 -0.75 4.62 5.00 1nhxA1 PHE 231 HB2 -0.08 -0.06 -0.13 -0.04 3.15 2.83 1nhxA1 PHE 231 HB3 -0.01 0.09 0.16 -0.04 3.06 3.27 1nhxA1 PHE 231 HD2 -0.96 0.05 -0.23 -0.04 7.28 6.10 1nhxA1 PHE 231 HE2 -0.38 0.01 -0.11 -0.04 7.38 6.86 1nhxA1 PHE 231 HZ -0.24 0.13 0.03 -0.04 7.32 7.20 1nhxA1 GLY 232 H -0.62 0.65 0.19 -0.55 8.43 8.10 1nhxA1 GLY 232 HA2 -0.43 0.17 0.17 -0.51 4.01 3.41 1nhxA1 GLY 232 HA3 -0.06 0.23 0.20 -0.51 4.01 3.87 1nhxA1 SER 233 H 0.06 0.24 -0.30 -0.55 8.46 7.92 1nhxA1 SER 233 HA 0.15 0.18 0.93 -0.75 4.49 5.00 1nhxA1 SER 233 HB2 0.16 0.11 -0.08 -0.04 3.95 4.10 1nhxA1 SER 233 HB3 0.18 0.06 -0.08 -0.04 3.93 4.05 1nhxA1 GLY 234 H 0.32 0.22 0.07 -0.55 8.43 8.50 1nhxA1 GLY 234 HA2 0.14 0.17 0.71 -0.51 4.01 4.53 1nhxA1 GLY 234 HA3 -0.24 0.09 0.25 -0.51 4.01 3.61 1nhxA1 TYR 235 H 0.45 0.07 -0.26 -0.55 8.29 8.00 1nhxA1 TYR 235 HA 0.45 0.14 0.23 -0.75 4.56 4.63 1nhxA1 TYR 235 HB2 0.25 0.08 -0.20 -0.04 3.06 3.15 1nhxA1 TYR 235 HB3 0.17 -0.05 -0.32 -0.04 2.98 2.74 1nhxA1 TYR 235 HD2 -0.01 -0.05 -0.29 -0.04 7.15 6.75 1nhxA1 TYR 235 HE2 -0.07 0.01 -0.09 -0.04 6.85 6.65 1nhxA1 GLY 236 H -0.16 0.24 0.03 -0.55 8.43 7.99 1nhxA1 GLY 236 HA2 -0.43 0.10 0.29 -0.51 4.01 3.46 1nhxA1 GLY 236 HA3 -0.03 0.06 0.24 -0.51 4.01 3.77 1nhxA1 GLY 237 H 0.19 0.11 -0.01 -0.55 8.43 8.18 1nhxA1 GLY 237 HA2 -0.00 0.04 0.31 -0.51 4.01 3.85 1nhxA1 GLY 237 HA3 0.13 0.04 0.29 -0.51 4.01 3.96 1nhxA1 ASN 238 H 0.16 0.44 -0.35 -0.55 8.53 8.24 1nhxA1 ASN 238 HA 0.14 0.15 0.57 -0.75 4.76 4.86 1nhxA1 ASN 238 HB2 0.20 0.03 -0.17 -0.04 2.88 2.90 1nhxA1 ASN 238 HB3 0.18 0.04 -0.09 -0.04 2.79 2.88 1nhxA1 ASN 238 HD21 0.14 0.22 0.16 -0.04 7.03 7.51 1nhxA1 ASN 238 HD22 0.22 -0.10 -0.12 -0.04 7.74 7.70 1nhxA1 SER 239 H 0.00 0.25 -0.40 -0.55 8.46 7.76 1nhxA1 SER 239 HA -0.22 0.23 0.60 -0.75 4.49 4.33 1nhxA1 SER 239 HB2 -0.61 -0.08 -0.19 -0.04 3.95 3.04 1nhxA1 SER 239 HB3 -0.04 0.03 -0.54 -0.04 3.93 3.34 1nhxA1 LEU 240 H -0.15 0.62 -0.04 -0.55 8.37 8.26 1nhxA1 LEU 240 HA -0.23 0.09 0.61 -0.75 4.35 4.05 1nhxA1 LEU 240 HB2 -0.30 -0.01 0.09 -0.04 1.64 1.37 1nhxA1 LEU 240 HB3 -0.29 -0.01 -0.04 -0.04 1.64 1.26 1nhxA1 LEU 240 HG -0.28 0.02 -0.02 -0.04 1.64 1.32 1nhxA1 LEU 240 HD13 -0.60 0.00 -0.10 -0.04 0.93 0.19 1nhxA1 LEU 240 HD23 -0.27 0.01 -0.18 -0.04 0.89 0.41 1nhxA1 LEU 241 H -0.16 0.28 -0.05 -0.55 8.37 7.91 1nhxA1 LEU 241 HA 0.04 0.09 -0.25 -0.75 4.35 3.48 1nhxA1 LEU 241 HB2 0.09 0.00 -0.09 -0.04 1.64 1.59 1nhxA1 LEU 241 HB3 0.16 0.01 -0.11 -0.04 1.64 1.66 1nhxA1 LEU 241 HG -0.01 0.22 -0.18 -0.04 1.64 1.63 1nhxA1 LEU 241 HD13 0.19 0.01 -0.21 -0.04 0.93 0.88 1nhxA1 LEU 241 HD23 0.08 0.00 -0.33 -0.04 0.89 0.61 1nhxA1 GLY 242 H -0.28 0.09 -0.34 -0.55 8.43 7.36 1nhxA1 GLY 242 HA2 0.36 0.10 0.37 -0.51 4.01 4.33 1nhxA1 GLY 242 HA3 -0.15 0.11 0.13 -0.51 4.01 3.58 1nhxA1 LYS 243 H -0.07 0.31 -0.38 -0.55 8.42 7.72 1nhxA1 LYS 243 HA -0.06 0.14 0.21 -0.75 4.32 3.86 1nhxA1 LYS 243 HB2 -0.15 -0.00 -0.04 -0.04 1.87 1.63 1nhxA1 LYS 243 HB3 -0.12 0.09 0.10 -0.04 1.79 1.82 1nhxA1 LYS 243 HG2 -0.08 0.01 -0.18 -0.04 1.46 1.17 1nhxA1 LYS 243 HG3 -0.07 0.02 -0.12 -0.04 1.46 1.25 1nhxA1 LYS 243 HD2 -0.20 0.00 -0.07 -0.04 1.69 1.38 1nhxA1 LYS 243 HD3 -0.24 -0.05 -0.10 -0.04 1.68 1.25 1nhxA1 LYS 243 HE2 0.14 0.01 -0.02 -0.04 2.99 3.08 1nhxA1 LYS 243 HE3 0.04 0.02 -0.07 -0.04 2.99 2.94 1nhxA1 LYS 244 H 0.01 0.18 0.01 -0.55 8.42 8.06 1nhxA1 LYS 244 HA -0.09 0.17 0.44 -0.75 4.32 4.09 1nhxA1 LYS 244 HB2 0.13 0.09 0.08 -0.04 1.87 2.13 1nhxA1 LYS 244 HB3 0.14 0.09 -0.06 -0.04 1.79 1.92 1nhxA1 LYS 244 HG2 -0.04 -0.09 -0.01 -0.04 1.46 1.28 1nhxA1 LYS 244 HG3 0.12 -0.02 -0.02 -0.04 1.46 1.50 1nhxA1 LYS 244 HD2 -1.26 0.07 -0.08 -0.04 1.69 0.38 1nhxA1 LYS 244 HD3 -0.37 0.02 -0.21 -0.04 1.68 1.07 1nhxA1 LYS 244 HE2 -0.07 -0.06 -0.08 -0.04 2.99 2.74 1nhxA1 LYS 244 HE3 -0.09 -0.02 -0.05 -0.04 2.99 2.79 1nhxA1 CYS 245 H 0.17 0.12 -0.11 -0.55 8.50 8.13 1nhxA1 CYS 245 HA 0.48 0.09 0.25 -0.75 4.58 4.64 1nhxA1 CYS 245 HB2 0.21 0.16 0.05 -0.04 2.97 3.34 1nhxA1 CYS 245 HB3 0.19 0.01 -0.06 -0.04 2.97 3.07 1nhxA1 PHE 246 H 0.36 0.22 -0.44 -0.55 8.34 7.93 1nhxA1 PHE 246 HA 0.22 0.02 0.49 -0.75 4.62 4.59 1nhxA1 PHE 246 HB2 0.26 -0.01 -0.09 -0.04 3.15 3.26 1nhxA1 PHE 246 HB3 0.27 0.01 0.18 -0.04 3.06 3.47 1nhxA1 PHE 246 HD2 0.41 -0.07 -0.43 -0.04 7.28 7.16 1nhxA1 PHE 246 HE2 0.16 -0.00 -0.32 -0.04 7.38 7.17 1nhxA1 PHE 246 HZ 0.24 -0.03 -0.25 -0.04 7.32 7.24 1nhxA1 ALA 247 H 0.28 0.48 -0.14 -0.55 8.40 8.48 1nhxA1 ALA 247 HA 0.89 0.00 0.09 -0.75 4.34 4.58 1nhxA1 ALA 247 HB3 0.10 0.04 0.11 -0.04 1.41 1.61 1nhxA1 LEU 248 H 0.24 0.18 -0.51 -0.55 8.37 7.73 1nhxA1 LEU 248 HA 0.24 0.19 0.89 -0.75 4.35 4.91 1nhxA1 LEU 248 HB2 -0.04 0.08 0.14 -0.04 1.64 1.78 1nhxA1 LEU 248 HB3 0.03 0.05 -0.05 -0.04 1.64 1.63 1nhxA1 LEU 248 HG -0.01 -0.02 -0.27 -0.04 1.64 1.30 1nhxA1 LEU 248 HD13 -0.77 -0.03 -0.09 -0.04 0.93 0.00 1nhxA1 LEU 248 HD23 0.17 0.04 -0.32 -0.04 0.89 0.74 1nhxA1 ARG 249 H 0.17 0.45 0.04 -0.55 8.46 8.57 1nhxA1 ARG 249 HA 0.09 0.20 0.34 -0.75 4.34 4.22 1nhxA1 ARG 249 HB2 0.01 0.12 0.23 -0.04 1.90 2.23 1nhxA1 ARG 249 HB3 -0.17 -0.05 -0.02 -0.04 1.80 1.52 1nhxA1 ARG 249 HG2 0.05 0.29 -0.12 -0.04 1.67 1.84 1nhxA1 ARG 249 HG3 0.11 -0.02 -0.05 -0.04 1.67 1.67 1nhxA1 ARG 249 HD2 -0.85 -0.07 -0.10 -0.04 3.22 2.16 1nhxA1 ARG 249 HD3 -0.26 0.05 -0.18 -0.04 3.22 2.80 1nhxA1 MET 250 H 0.20 0.61 0.22 -0.55 8.47 8.94 1nhxA1 MET 250 HA 0.05 -0.01 0.46 -0.75 4.52 4.28 1nhxA1 MET 250 HB2 0.11 0.11 0.18 -0.04 2.15 2.51 1nhxA1 MET 250 HB3 -0.04 -0.06 0.03 -0.04 2.03 1.91 1nhxA1 MET 250 HG2 0.25 0.21 0.12 -0.04 2.63 3.17 1nhxA1 MET 250 HG3 0.07 -0.06 -0.10 -0.04 2.56 2.43 1nhxA1 MET 250 HE3 -0.07 -0.01 -0.18 -0.04 2.10 1.81 1nhxA1 ALA 251 H 0.22 0.46 -0.35 -0.55 8.40 8.19 1nhxA1 ALA 251 HA -0.07 -0.02 0.27 -0.75 4.34 3.77 1nhxA1 ALA 251 HB3 0.04 0.04 -0.14 -0.04 1.41 1.31 1nhxA1 SER 252 H 0.07 0.64 -0.25 -0.55 8.46 8.37 1nhxA1 SER 252 HA -0.13 -0.05 0.52 -0.75 4.49 4.08 1nhxA1 SER 252 HB2 0.39 -0.11 0.17 -0.04 3.95 4.35 1nhxA1 SER 252 HB3 0.20 0.26 0.25 -0.04 3.93 4.60 1nhxA1 ARG 253 H 0.02 0.41 -0.27 -0.55 8.46 8.07 1nhxA1 ARG 253 HA -0.45 -0.00 0.42 -0.75 4.34 3.55 1nhxA1 ARG 253 HB2 0.01 0.20 0.19 -0.04 1.90 2.27 1nhxA1 ARG 253 HB3 -0.10 -0.02 -0.01 -0.04 1.80 1.63 1nhxA1 ARG 253 HG2 0.13 0.00 -0.18 -0.04 1.67 1.58 1nhxA1 ARG 253 HG3 0.03 0.02 0.04 -0.04 1.67 1.72 1nhxA1 ARG 253 HD2 -0.27 -0.03 -0.03 -0.04 3.22 2.86 1nhxA1 ARG 253 HD3 -0.11 -0.02 -0.01 -0.04 3.22 3.05 1nhxA1 LEU 254 H -0.19 0.51 -0.00 -0.55 8.37 8.14 1nhxA1 LEU 254 HA -0.18 -0.01 0.45 -0.75 4.35 3.86 1nhxA1 LEU 254 HB2 -0.19 0.12 0.09 -0.04 1.64 1.62 1nhxA1 LEU 254 HB3 0.02 -0.02 -0.01 -0.04 1.64 1.59 1nhxA1 LEU 254 HG -0.09 0.21 0.07 -0.04 1.64 1.79 1nhxA1 LEU 254 HD13 0.00 -0.02 -0.10 -0.04 0.93 0.77 1nhxA1 LEU 254 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.75 1nhxA1 ALA 255 H -0.81 0.73 -0.26 -0.55 8.40 7.52 1nhxA1 ALA 255 HA -2.45 -0.06 0.17 -0.75 4.34 1.24 1nhxA1 ALA 255 HB3 -1.17 0.08 -0.24 -0.04 1.41 0.03 1nhxA1 LYS 256 H -0.56 0.50 -0.16 -0.55 8.42 7.65 1nhxA1 LYS 256 HA -1.47 0.05 0.43 -0.75 4.32 2.57 1nhxA1 LYS 256 HB2 -0.63 0.00 0.11 -0.04 1.87 1.32 1nhxA1 LYS 256 HB3 -0.84 0.11 0.15 -0.04 1.79 1.17 1nhxA1 LYS 256 HG2 -0.51 -0.02 -0.00 -0.04 1.46 0.89 1nhxA1 LYS 256 HG3 -0.34 -0.05 -0.06 -0.04 1.46 0.97 1nhxA1 LYS 256 HD2 -0.63 -0.07 -0.07 -0.04 1.69 0.88 1nhxA1 LYS 256 HD3 -0.48 0.11 -0.17 -0.04 1.68 1.09 1nhxA1 LYS 256 HE2 -0.16 -0.08 -0.06 -0.04 2.99 2.66 1nhxA1 LYS 256 HE3 -0.19 0.02 -0.14 -0.04 2.99 2.64 1nhxA1 GLU 257 H -0.38 0.44 -0.28 -0.55 8.60 7.83 1nhxA1 GLU 257 HA -0.18 -0.02 0.44 -0.75 4.29 3.78 1nhxA1 GLU 257 HB2 -0.18 0.13 0.18 -0.04 2.09 2.18 1nhxA1 GLU 257 HB3 -0.10 -0.07 0.04 -0.04 1.99 1.81 1nhxA1 GLU 257 HG2 -0.13 -0.09 0.03 -0.04 2.34 2.11 1nhxA1 GLU 257 HG3 -0.24 -0.02 -0.00 -0.04 2.34 2.03 1nhxA1 GLU 258 H -0.19 0.47 -0.19 -0.55 8.60 8.13 1nhxA1 GLU 258 HA 0.06 0.13 0.82 -0.75 4.29 4.54 1nhxA1 GLU 258 HB2 0.45 0.02 -0.01 -0.04 2.09 2.51 1nhxA1 GLU 258 HB3 0.25 -0.05 0.13 -0.04 1.99 2.28 1nhxA1 GLU 258 HG2 0.08 -0.05 -0.07 -0.04 2.34 2.26 1nhxA1 GLU 258 HG3 0.03 -0.04 -0.17 -0.04 2.34 2.11 1nhxA1 GLY 259 H -0.03 0.31 -0.19 -0.55 8.43 7.97 1nhxA1 GLY 259 HA2 0.24 -0.00 0.30 -0.51 4.01 4.04 1nhxA1 GLY 259 HA3 0.19 0.00 0.37 -0.51 4.01 4.06 1nhxA1 TRP 260 H -0.02 0.23 -0.12 -0.55 7.97 7.51 1nhxA1 TRP 260 HA -0.09 0.15 0.98 -0.75 4.62 4.91 1nhxA1 TRP 260 HB2 -0.07 0.24 0.29 -0.04 3.23 3.65 1nhxA1 TRP 260 HB3 -0.05 -0.04 0.04 -0.04 3.23 3.14 1nhxA1 TRP 260 HD1 -0.05 0.15 -0.26 -0.04 7.22 7.03 1nhxA1 TRP 260 HE1 -0.11 -0.02 -0.20 -0.04 10.20 9.83 1nhxA1 TRP 260 HE3 -0.10 0.12 -0.10 -0.04 7.59 7.48 1nhxA1 TRP 260 HZ2 -0.31 -0.05 -0.14 -0.04 7.44 6.90 1nhxA1 TRP 260 HZ3 -1.08 -0.02 -0.07 -0.04 7.13 5.93 1nhxA1 TRP 260 HH2 -1.31 -0.04 -0.08 -0.04 7.19 5.72 1nhxA1 LEU 261 H 0.36 0.71 0.34 -0.55 8.37 9.23 1nhxA1 LEU 261 HA -0.07 0.15 0.88 -0.75 4.35 4.55 1nhxA1 LEU 261 HB2 -0.00 -0.05 0.06 -0.04 1.64 1.60 1nhxA1 LEU 261 HB3 0.03 -0.02 -0.09 -0.04 1.64 1.52 1nhxA1 LEU 261 HG -0.34 0.03 -0.42 -0.04 1.64 0.88 1nhxA1 LEU 261 HD13 -0.62 -0.02 -0.12 -0.04 0.93 0.13 1nhxA1 LEU 261 HD23 -0.67 0.03 -0.11 -0.04 0.89 0.10 1nhxA1 ALA 262 H 0.01 0.22 0.11 -0.55 8.40 8.19 1nhxA1 ALA 262 HA 0.42 0.23 1.02 -0.75 4.34 5.26 1nhxA1 ALA 262 HB3 -0.10 0.05 -0.06 -0.04 1.41 1.26 1nhxA1 GLU 263 H 0.42 0.76 0.34 -0.55 8.60 9.57 1nhxA1 GLU 263 HA 0.39 0.18 0.86 -0.75 4.29 4.97 1nhxA1 GLU 263 HB2 0.35 0.04 -0.03 -0.04 2.09 2.40 1nhxA1 GLU 263 HB3 0.44 -0.00 -0.09 -0.04 1.99 2.29 1nhxA1 GLU 263 HG2 0.36 -0.09 -0.40 -0.04 2.34 2.17 1nhxA1 GLU 263 HG3 0.59 -0.00 -0.16 -0.04 2.34 2.72 1nhxA1 HIS 264 H 0.36 0.20 0.07 -0.55 8.41 8.50 1nhxA1 HIS 264 HA 0.05 0.14 0.71 -0.75 4.63 4.78 1nhxA1 HIS 264 HB2 0.06 -0.05 0.06 -0.04 3.26 3.28 1nhxA1 HIS 264 HB3 0.13 0.08 0.18 -0.04 3.20 3.54 1nhxA1 HIS 264 HD2 -0.08 0.12 -0.03 -0.04 6.97 6.94 1nhxA1 HIS 264 HE1 0.22 -0.12 0.06 -0.04 7.75 7.86 1nhxA1 MET 265 H 0.15 0.24 0.03 -0.55 8.47 8.35 1nhxA1 MET 265 HA -0.06 0.32 0.86 -0.75 4.52 4.88 1nhxA1 MET 265 HB2 0.15 -0.05 -0.20 -0.04 2.15 2.01 1nhxA1 MET 265 HB3 0.05 0.06 -0.20 -0.04 2.03 1.90 1nhxA1 MET 265 HG2 0.03 -0.01 -0.54 -0.04 2.63 2.08 1nhxA1 MET 265 HG3 0.21 -0.08 -0.63 -0.04 2.56 2.02 1nhxA1 MET 265 HE3 0.52 0.00 -0.14 -0.04 2.10 2.44 1nhxA1 LEU 266 H -0.07 0.47 0.16 -0.55 8.37 8.39 1nhxA1 LEU 266 HA 0.06 -0.08 0.24 -0.75 4.35 3.81 1nhxA1 LEU 266 HB2 0.05 0.14 0.14 -0.04 1.64 1.93 1nhxA1 LEU 266 HB3 0.02 0.02 -0.01 -0.04 1.64 1.62 1nhxA1 LEU 266 HG -0.06 -0.06 0.09 -0.04 1.64 1.57 1nhxA1 LEU 266 HD13 0.07 0.01 -0.41 -0.04 0.93 0.55 1nhxA1 LEU 266 HD23 0.12 -0.02 -0.07 -0.04 0.89 0.88 1nhxA1 VAL 267 H 0.10 0.45 0.24 -0.55 8.24 8.48 1nhxA1 VAL 267 HA 0.11 0.34 0.88 -0.75 4.13 4.71 1nhxA1 VAL 267 HB 0.13 -0.15 0.04 -0.04 2.12 2.10 1nhxA1 VAL 267 HG13 0.17 0.01 -0.18 -0.04 0.97 0.93 1nhxA1 VAL 267 HG23 0.10 0.02 -0.32 -0.04 0.95 0.71 1nhxA1 LEU 268 H 0.15 0.66 0.35 -0.55 8.37 8.98 1nhxA1 LEU 268 HA 0.15 0.07 1.05 -0.75 4.35 4.87 1nhxA1 LEU 268 HB2 0.08 0.17 0.18 -0.04 1.64 2.03 1nhxA1 LEU 268 HB3 0.08 0.02 0.00 -0.04 1.64 1.70 1nhxA1 LEU 268 HG 0.10 -0.02 -0.04 -0.04 1.64 1.65 1nhxA1 LEU 268 HD13 0.09 -0.02 -0.35 -0.04 0.93 0.61 1nhxA1 LEU 268 HD23 0.09 -0.01 -0.18 -0.04 0.89 0.74 1nhxA1 GLY 269 H 0.08 0.70 0.36 -0.55 8.43 9.02 1nhxA1 GLY 269 HA2 -0.35 0.28 1.05 -0.51 4.01 4.48 1nhxA1 GLY 269 HA3 -0.38 -0.06 0.31 -0.51 4.01 3.37 1nhxA1 ILE 270 H -0.04 0.73 0.37 -0.55 8.25 8.76 1nhxA1 ILE 270 HA 0.11 0.37 1.14 -0.75 4.18 5.04 1nhxA1 ILE 270 HB 0.16 -0.01 -0.06 -0.04 1.89 1.94 1nhxA1 ILE 270 HG12 0.55 -0.06 -0.29 -0.04 1.49 1.64 1nhxA1 ILE 270 HG13 0.39 0.17 0.04 -0.04 1.21 1.77 1nhxA1 ILE 270 HG23 0.31 -0.01 0.00 -0.04 0.93 1.19 1nhxA1 ILE 270 HD13 0.12 -0.02 -0.13 -0.04 0.88 0.80 1nhxA1 THR 271 H 0.09 0.62 0.35 -0.55 8.28 8.79 1nhxA1 THR 271 HA 0.00 0.33 0.95 -0.75 4.39 4.92 1nhxA1 THR 271 HB -0.06 -0.05 0.12 -0.04 4.32 4.28 1nhxA1 THR 271 HG23 -0.11 0.06 -0.23 -0.04 1.22 0.90 1nhxA1 ASN 272 H -0.44 0.52 0.25 -0.55 8.53 8.31 1nhxA1 ASN 272 HA -2.63 0.17 0.66 -0.75 4.76 2.20 1nhxA1 ASN 272 HB2 -1.51 0.04 0.14 -0.04 2.88 1.51 1nhxA1 ASN 272 HB3 -1.82 0.07 0.07 -0.04 2.79 1.07 1nhxA1 ASN 272 HD21 -0.04 0.00 -0.02 -0.04 7.03 6.93 1nhxA1 ASN 272 HD22 -0.21 0.07 -0.01 -0.04 7.74 7.56 1nhxA1 PRO 273 HA -0.32 0.31 0.51 -0.51 4.44 4.43 1nhxA1 PRO 273 HB2 -0.20 -0.02 -0.00 -0.04 2.28 2.02 1nhxA1 PRO 273 HB3 -0.18 0.01 0.14 -0.04 2.02 1.95 1nhxA1 PRO 273 HG2 -0.17 0.02 0.05 -0.04 2.03 1.89 1nhxA1 PRO 273 HG3 -0.45 0.11 -0.00 -0.04 2.03 1.65 1nhxA1 PRO 273 HD2 -0.67 0.05 0.14 -0.04 3.68 3.16 1nhxA1 PRO 273 HD3 -2.31 0.12 0.13 -0.04 3.65 1.55 1nhxA1 GLU 274 H -0.33 0.00 -0.52 -0.55 8.60 7.20 1nhxA1 GLU 274 HA -0.11 0.23 0.81 -0.75 4.29 4.47 1nhxA1 GLU 274 HB2 -0.11 -0.05 0.02 -0.04 2.09 1.91 1nhxA1 GLU 274 HB3 -0.06 0.02 0.12 -0.04 1.99 2.03 1nhxA1 GLU 274 HG2 -0.04 0.00 -0.01 -0.04 2.34 2.25 1nhxA1 GLU 274 HG3 -0.06 0.04 -0.01 -0.04 2.34 2.27 1nhxA1 GLY 275 H -0.20 0.50 -0.23 -0.55 8.43 7.96 1nhxA1 GLY 275 HA2 -0.09 0.07 0.23 -0.51 4.01 3.71 1nhxA1 GLY 275 HA3 -0.06 0.10 0.48 -0.51 4.01 4.02 1nhxA1 GLU 276 H -0.08 -0.05 -0.27 -0.55 8.60 7.65 1nhxA1 GLU 276 HA 0.04 0.15 0.73 -0.75 4.29 4.45 1nhxA1 GLU 276 HB2 0.06 0.03 -0.00 -0.04 2.09 2.14 1nhxA1 GLU 276 HB3 0.19 -0.10 0.07 -0.04 1.99 2.10 1nhxA1 GLU 276 HG2 0.17 0.07 -0.30 -0.04 2.34 2.24 1nhxA1 GLU 276 HG3 0.05 0.03 -0.00 -0.04 2.34 2.38 1nhxA1 LYS 277 H 0.05 0.20 0.21 -0.55 8.42 8.32 1nhxA1 LYS 277 HA 0.13 0.36 1.03 -0.75 4.32 5.09 1nhxA1 LYS 277 HB2 -0.01 0.00 -0.14 -0.04 1.87 1.69 1nhxA1 LYS 277 HB3 -0.00 -0.02 0.07 -0.04 1.79 1.79 1nhxA1 LYS 277 HG2 -0.29 -0.01 -0.30 -0.04 1.46 0.82 1nhxA1 LYS 277 HG3 -0.12 0.03 -0.28 -0.04 1.46 1.05 1nhxA1 LYS 277 HD2 -0.04 0.01 -0.15 -0.04 1.69 1.47 1nhxA1 LYS 277 HD3 -0.02 -0.01 -0.10 -0.04 1.68 1.51 1nhxA1 LYS 277 HE2 -0.54 0.00 -0.14 -0.04 2.99 2.27 1nhxA1 LYS 277 HE3 -0.18 0.01 -0.22 -0.04 2.99 2.56 1nhxA1 LYS 278 H 0.12 0.67 0.39 -0.55 8.42 9.05 1nhxA1 LYS 278 HA -0.01 0.18 0.91 -0.75 4.32 4.64 1nhxA1 LYS 278 HB2 -0.02 -0.04 0.03 -0.04 1.87 1.80 1nhxA1 LYS 278 HB3 -0.06 0.04 0.06 -0.04 1.79 1.79 1nhxA1 LYS 278 HG2 -0.24 0.09 -0.12 -0.04 1.46 1.14 1nhxA1 LYS 278 HG3 -0.65 -0.06 -0.27 -0.04 1.46 0.44 1nhxA1 LYS 278 HD2 -0.91 -0.05 -0.04 -0.04 1.69 0.66 1nhxA1 LYS 278 HD3 -0.28 0.02 -0.03 -0.04 1.68 1.35 1nhxA1 LYS 278 HE2 -1.16 -0.06 -0.10 -0.04 2.99 1.63 1nhxA1 LYS 278 HE3 -0.41 0.06 -0.06 -0.04 2.99 2.53 1nhxA1 TYR 279 H 0.20 0.30 0.25 -0.55 8.29 8.48 1nhxA1 TYR 279 HA 0.09 0.28 1.20 -0.75 4.56 5.37 1nhxA1 TYR 279 HB2 0.05 0.30 -0.01 -0.04 3.06 3.36 1nhxA1 TYR 279 HB3 0.07 0.01 -0.11 -0.04 2.98 2.90 1nhxA1 TYR 279 HD2 0.06 0.07 -0.19 -0.04 7.15 7.05 1nhxA1 TYR 279 HE2 0.06 -0.02 -0.14 -0.04 6.85 6.71 1nhxA1 LEU 280 H 0.17 0.72 0.38 -0.55 8.37 9.09 1nhxA1 LEU 280 HA 0.13 0.13 1.02 -0.75 4.35 4.88 1nhxA1 LEU 280 HB2 0.11 -0.04 -0.03 -0.04 1.64 1.64 1nhxA1 LEU 280 HB3 0.11 0.06 -0.06 -0.04 1.64 1.71 1nhxA1 LEU 280 HG 0.12 -0.03 -0.35 -0.04 1.64 1.34 1nhxA1 LEU 280 HD13 0.12 -0.01 -0.15 -0.04 0.93 0.86 1nhxA1 LEU 280 HD23 0.12 0.01 -0.15 -0.04 0.89 0.83 1nhxA1 ALA 281 H 0.09 0.65 0.38 -0.55 8.40 8.98 1nhxA1 ALA 281 HA 0.06 0.36 1.02 -0.75 4.34 5.03 1nhxA1 ALA 281 HB3 0.09 -0.01 0.01 -0.04 1.41 1.45 1nhxA1 ALA 282 H -0.06 0.51 0.16 -0.55 8.40 8.47 1nhxA1 ALA 282 HA -0.28 0.19 0.93 -0.75 4.34 4.43 1nhxA1 ALA 282 HB3 -0.39 -0.01 -0.13 -0.04 1.41 0.84 1nhxA1 ALA 283 H -0.39 0.66 0.30 -0.55 8.40 8.43 1nhxA1 ALA 283 HA -0.24 0.27 1.10 -0.75 4.34 4.71 1nhxA1 ALA 283 HB3 0.16 -0.01 -0.02 -0.04 1.41 1.50 1nhxA1 PHE 284 H -0.18 0.27 0.22 -0.55 8.34 8.10 1nhxA1 PHE 284 HA -0.03 0.27 1.00 -0.75 4.62 5.12 1nhxA1 PHE 284 HB2 -0.01 -0.12 -0.01 -0.04 3.15 2.98 1nhxA1 PHE 284 HB3 -0.01 0.06 -0.06 -0.04 3.06 3.01 1nhxA1 PHE 284 HD2 -0.03 -0.00 -0.10 -0.04 7.28 7.10 1nhxA1 PHE 284 HE2 -0.04 0.01 -0.32 -0.04 7.38 6.99 1nhxA1 PHE 284 HZ 0.09 -0.02 -0.22 -0.04 7.32 7.13 1nhxA1 PRO 285 HA 0.13 0.11 0.63 -0.51 4.44 4.81 1nhxA1 PRO 285 HB2 0.01 0.02 0.07 -0.04 2.28 2.34 1nhxA1 PRO 285 HB3 0.03 0.03 0.12 -0.04 2.02 2.16 1nhxA1 PRO 285 HG2 -0.01 0.00 -0.03 -0.04 2.03 1.96 1nhxA1 PRO 285 HG3 -0.00 0.04 0.04 -0.04 2.03 2.07 1nhxA1 PRO 285 HD2 0.15 0.09 0.18 -0.04 3.68 4.06 1nhxA1 PRO 285 HD3 0.10 0.21 0.23 -0.04 3.65 4.14 1nhxA1 SER 286 H 0.06 0.10 0.12 -0.55 8.46 8.18 1nhxA1 SER 286 HA 0.06 0.01 0.40 -0.75 4.49 4.20 1nhxA1 SER 286 HB2 0.05 0.04 0.14 -0.04 3.95 4.14 1nhxA1 SER 286 HB3 -0.00 0.04 0.03 -0.04 3.93 3.96 1nhxA1 ALA 287 H -0.02 0.09 0.18 -0.55 8.40 8.11 1nhxA1 ALA 287 HA -0.07 -0.02 0.35 -0.75 4.34 3.85 1nhxA1 ALA 287 HB3 -0.11 0.07 0.04 -0.04 1.41 1.37 1nhxA1 CYS 288 H -0.01 0.03 -0.19 -0.55 8.50 7.78 1nhxA1 CYS 288 HA -0.11 0.26 0.87 -0.75 4.58 4.85 1nhxA1 CYS 288 HB2 -0.01 0.11 -0.11 -0.04 2.97 2.92 1nhxA1 CYS 288 HB3 -0.23 -0.04 -0.04 -0.04 2.97 2.62 1nhxA1 GLY 289 H 0.03 0.00 -0.00 -0.55 8.43 7.91 1nhxA1 GLY 289 HA2 0.03 0.03 0.28 -0.51 4.01 3.83 1nhxA1 GLY 289 HA3 0.03 0.19 0.50 -0.51 4.01 4.21 1nhxA1 LYS 290 H 0.12 0.06 -0.08 -0.55 8.42 7.96 1nhxA1 LYS 290 HA 0.39 0.12 0.27 -0.75 4.32 4.35 1nhxA1 LYS 290 HB2 0.27 0.08 0.05 -0.04 1.87 2.22 1nhxA1 LYS 290 HB3 0.11 -0.08 0.12 -0.04 1.79 1.90 1nhxA1 LYS 290 HG2 0.08 0.03 -0.18 -0.04 1.46 1.36 1nhxA1 LYS 290 HG3 0.15 0.01 -0.00 -0.04 1.46 1.57 1nhxA1 LYS 290 HD2 -0.05 0.09 0.07 -0.04 1.69 1.75 1nhxA1 LYS 290 HD3 0.02 -0.06 0.05 -0.04 1.68 1.65 1nhxA1 LYS 290 HE2 -0.03 0.15 -0.21 -0.04 2.99 2.86 1nhxA1 LYS 290 HE3 -0.15 -0.03 0.01 -0.04 2.99 2.78 1nhxA1 THR 291 H 0.04 0.07 -0.09 -0.55 8.28 7.74 1nhxA1 THR 291 HA -0.02 0.10 0.40 -0.75 4.39 4.12 1nhxA1 THR 291 HB -0.00 -0.01 0.01 -0.04 4.32 4.27 1nhxA1 THR 291 HG23 -0.05 0.01 -0.13 -0.04 1.22 1.00 1nhxA1 ASN 292 H 0.02 0.05 -0.47 -0.55 8.53 7.58 1nhxA1 ASN 292 HA -0.02 0.02 0.30 -0.75 4.76 4.31 1nhxA1 ASN 292 HB2 -0.04 0.17 0.15 -0.04 2.88 3.13 1nhxA1 ASN 292 HB3 -0.03 0.09 0.05 -0.04 2.79 2.86 1nhxA1 ASN 292 HD21 0.05 0.05 -0.07 -0.04 7.03 7.02 1nhxA1 ASN 292 HD22 0.00 -0.01 0.02 -0.04 7.74 7.71 1nhxA1 LEU 293 H 0.05 0.44 -0.13 -0.55 8.37 8.18 1nhxA1 LEU 293 HA -0.03 0.01 0.40 -0.75 4.35 3.98 1nhxA1 LEU 293 HB2 0.12 -0.02 0.00 -0.04 1.64 1.71 1nhxA1 LEU 293 HB3 0.27 0.11 0.04 -0.04 1.64 2.01 1nhxA1 LEU 293 HG 0.17 0.04 -0.35 -0.04 1.64 1.46 1nhxA1 LEU 293 HD13 0.03 -0.02 -0.08 -0.04 0.93 0.82 1nhxA1 LEU 293 HD23 0.63 -0.01 -0.16 -0.04 0.89 1.31 1nhxA1 ALA 294 H 0.05 0.45 -0.18 -0.55 8.40 8.17 1nhxA1 ALA 294 HA 0.05 0.01 0.31 -0.75 4.34 3.94 1nhxA1 ALA 294 HB3 -0.02 0.03 0.06 -0.04 1.41 1.43 1nhxA1 MET 295 H -0.06 0.36 -0.48 -0.55 8.47 7.75 1nhxA1 MET 295 HA -0.04 0.22 0.65 -0.75 4.52 4.59 1nhxA1 MET 295 HB2 -0.10 -0.11 0.06 -0.04 2.15 1.96 1nhxA1 MET 295 HB3 -0.17 -0.00 -0.13 -0.04 2.03 1.68 1nhxA1 MET 295 HG2 -0.18 0.25 -0.06 -0.04 2.63 2.59 1nhxA1 MET 295 HG3 -0.11 -0.07 -0.08 -0.04 2.56 2.26 1nhxA1 MET 295 HE3 -0.98 0.01 -0.15 -0.04 2.10 0.94 1nhxA1 MET 296 H -0.02 0.40 -0.37 -0.55 8.47 7.93 1nhxA1 MET 296 HA -0.04 0.01 0.35 -0.75 4.52 4.09 1nhxA1 MET 296 HB2 -0.06 0.00 0.08 -0.04 2.15 2.13 1nhxA1 MET 296 HB3 -0.02 0.03 0.02 -0.04 2.03 2.02 1nhxA1 MET 296 HG2 -0.05 -0.06 -0.66 -0.04 2.63 1.82 1nhxA1 MET 296 HG3 -0.07 -0.01 -0.23 -0.04 2.56 2.21 1nhxA1 MET 296 HE3 -0.05 0.01 -0.18 -0.04 2.10 1.84 1nhxA1 ASN 297 H -0.03 0.10 0.16 -0.55 8.53 8.21 1nhxA1 ASN 297 HA -0.01 0.20 0.78 -0.75 4.76 4.98 1nhxA1 ASN 297 HB2 -0.02 -0.03 0.14 -0.04 2.88 2.93 1nhxA1 ASN 297 HB3 -0.03 -0.06 0.20 -0.04 2.79 2.87 1nhxA1 ASN 297 HD21 -0.00 -0.02 0.00 -0.04 7.03 6.96 1nhxA1 ASN 297 HD22 -0.00 0.06 0.11 -0.04 7.74 7.87 1nhxA1 PRO 298 HA -0.06 0.03 0.42 -0.51 4.44 4.32 1nhxA1 PRO 298 HB2 0.01 -0.02 -0.09 -0.04 2.28 2.14 1nhxA1 PRO 298 HB3 -0.01 -0.00 -0.05 -0.04 2.02 1.92 1nhxA1 PRO 298 HG2 0.07 0.18 -0.05 -0.04 2.03 2.20 1nhxA1 PRO 298 HG3 0.09 -0.05 -0.26 -0.04 2.03 1.78 1nhxA1 PRO 298 HD2 0.02 0.08 0.18 -0.04 3.68 3.92 1nhxA1 PRO 298 HD3 0.02 0.34 0.10 -0.04 3.65 4.07 1nhxA1 SER 299 H -0.08 0.41 0.21 -0.55 8.46 8.45 1nhxA1 SER 299 HA -0.04 0.14 0.52 -0.75 4.49 4.36 1nhxA1 SER 299 HB2 -0.07 0.01 -0.01 -0.04 3.95 3.83 1nhxA1 SER 299 HB3 -0.09 -0.10 -0.16 -0.04 3.93 3.54 1nhxA1 LEU 300 H -0.08 -0.03 -0.11 -0.55 8.37 7.59 1nhxA1 LEU 300 HA 0.00 0.11 0.37 -0.75 4.35 4.08 1nhxA1 LEU 300 HB2 -0.31 -0.05 -0.00 -0.04 1.64 1.24 1nhxA1 LEU 300 HB3 0.01 0.11 -0.06 -0.04 1.64 1.66 1nhxA1 LEU 300 HG -0.17 -0.11 -0.06 -0.04 1.64 1.26 1nhxA1 LEU 300 HD13 -0.47 0.01 -0.12 -0.04 0.93 0.30 1nhxA1 LEU 300 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.81 1nhxA1 PRO 301 HA 0.08 0.08 0.45 -0.51 4.44 4.54 1nhxA1 PRO 301 HB2 0.07 -0.01 0.03 -0.04 2.28 2.33 1nhxA1 PRO 301 HB3 0.04 0.01 0.10 -0.04 2.02 2.13 1nhxA1 PRO 301 HG2 0.04 -0.01 0.08 -0.04 2.03 2.10 1nhxA1 PRO 301 HG3 0.03 0.08 0.11 -0.04 2.03 2.21 1nhxA1 PRO 301 HD2 0.09 0.04 0.19 -0.04 3.68 3.96 1nhxA1 PRO 301 HD3 0.03 0.18 0.24 -0.04 3.65 4.07 1nhxA1 GLY 302 H 0.05 0.17 0.14 -0.55 8.43 8.25 1nhxA1 GLY 302 HA2 -0.04 -0.00 0.33 -0.51 4.01 3.79 1nhxA1 GLY 302 HA3 -0.07 0.07 0.54 -0.51 4.01 4.05 1nhxA1 TRP 303 H 0.31 0.29 -0.48 -0.55 7.97 7.55 1nhxA1 TRP 303 HA -0.08 0.27 0.66 -0.75 4.62 4.71 1nhxA1 TRP 303 HB2 -0.05 0.09 -0.04 -0.04 3.23 3.19 1nhxA1 TRP 303 HB3 -0.06 -0.01 -0.05 -0.04 3.23 3.07 1nhxA1 TRP 303 HD1 -0.05 0.21 -0.33 -0.04 7.22 7.01 1nhxA1 TRP 303 HE1 -0.07 -0.03 -0.03 -0.04 10.20 10.03 1nhxA1 TRP 303 HE3 -0.16 0.08 -0.15 -0.04 7.59 7.33 1nhxA1 TRP 303 HZ2 -0.17 -0.02 -0.00 -0.04 7.44 7.21 1nhxA1 TRP 303 HZ3 -0.65 0.02 -0.23 -0.04 7.13 6.23 1nhxA1 TRP 303 HH2 -0.72 0.02 -0.03 -0.04 7.19 6.41 1nhxA1 LYS 304 H 0.11 0.52 0.32 -0.55 8.42 8.81 1nhxA1 LYS 304 HA 0.07 0.17 0.87 -0.75 4.32 4.68 1nhxA1 LYS 304 HB2 -0.01 0.04 -0.10 -0.04 1.87 1.76 1nhxA1 LYS 304 HB3 0.01 -0.11 0.05 -0.04 1.79 1.70 1nhxA1 LYS 304 HG2 0.02 0.03 -0.18 -0.04 1.46 1.30 1nhxA1 LYS 304 HG3 0.02 0.04 0.04 -0.04 1.46 1.52 1nhxA1 LYS 304 HD2 0.00 -0.01 -0.06 -0.04 1.69 1.58 1nhxA1 LYS 304 HD3 -0.01 -0.03 -0.08 -0.04 1.68 1.52 1nhxA1 LYS 304 HE2 0.02 -0.02 -0.11 -0.04 2.99 2.84 1nhxA1 LYS 304 HE3 0.02 0.05 -0.05 -0.04 2.99 2.96 1nhxA1 VAL 305 H 0.05 0.25 0.19 -0.55 8.24 8.18 1nhxA1 VAL 305 HA 0.07 0.27 1.06 -0.75 4.13 4.77 1nhxA1 VAL 305 HB 0.03 0.20 0.12 -0.04 2.12 2.43 1nhxA1 VAL 305 HG13 0.03 -0.03 -0.16 -0.04 0.97 0.78 1nhxA1 VAL 305 HG23 0.07 -0.05 -0.14 -0.04 0.95 0.78 1nhxA1 GLU 306 H 0.04 0.73 0.40 -0.55 8.60 9.22 1nhxA1 GLU 306 HA 0.04 0.28 0.98 -0.75 4.29 4.84 1nhxA1 GLU 306 HB2 0.05 -0.09 0.05 -0.04 2.09 2.05 1nhxA1 GLU 306 HB3 0.09 -0.02 -0.03 -0.04 1.99 1.99 1nhxA1 GLU 306 HG2 0.04 0.13 -0.08 -0.04 2.34 2.39 1nhxA1 GLU 306 HG3 0.03 -0.05 -0.47 -0.04 2.34 1.81 1nhxA1 CYS 307 H 0.04 0.66 0.27 -0.55 8.50 8.92 1nhxA1 CYS 307 HA 0.08 0.23 0.92 -0.75 4.58 5.06 1nhxA1 CYS 307 HB2 -0.03 0.07 -0.03 -0.04 2.97 2.93 1nhxA1 CYS 307 HB3 0.01 -0.08 -0.01 -0.04 2.97 2.85 1nhxA1 VAL 308 H 0.16 0.62 0.45 -0.55 8.24 8.92 1nhxA1 VAL 308 HA 0.29 0.08 0.95 -0.75 4.13 4.69 1nhxA1 VAL 308 HB 0.20 0.05 -0.04 -0.04 2.12 2.29 1nhxA1 VAL 308 HG13 0.16 0.01 -0.11 -0.04 0.97 0.99 1nhxA1 VAL 308 HG23 0.28 -0.03 -0.22 -0.04 0.95 0.94 1nhxA1 GLY 309 H 0.15 0.55 0.42 -0.55 8.43 9.01 1nhxA1 GLY 309 HA2 0.28 0.11 0.46 -0.51 4.01 4.35 1nhxA1 GLY 309 HA3 0.16 0.09 0.43 -0.51 4.01 4.18 1nhxA1 ASP 310 H 0.28 0.16 0.15 -0.55 8.40 8.44 1nhxA1 ASP 310 HA 0.06 0.24 1.00 -0.75 4.63 5.17 1nhxA1 ASP 310 HB2 -0.04 -0.03 0.10 -0.04 2.71 2.70 1nhxA1 ASP 310 HB3 -0.14 0.04 -0.08 -0.04 2.70 2.48 1nhxA1 ASP 311 H 0.10 0.03 -0.01 -0.55 8.40 7.97 1nhxA1 ASP 311 HA 0.05 0.21 0.83 -0.75 4.63 4.97 1nhxA1 ASP 311 HB2 0.11 -0.08 -0.26 -0.04 2.71 2.44 1nhxA1 ASP 311 HB3 0.08 -0.01 0.03 -0.04 2.70 2.76 1nhxA1 ILE 312 H 0.06 -0.01 0.18 -0.55 8.25 7.94 1nhxA1 ILE 312 HA 0.14 0.23 1.13 -0.75 4.18 4.93 1nhxA1 ILE 312 HB -0.04 -0.13 0.07 -0.04 1.89 1.74 1nhxA1 ILE 312 HG12 0.06 0.12 -0.18 -0.04 1.49 1.45 1nhxA1 ILE 312 HG13 0.08 -0.17 -0.57 -0.04 1.21 0.51 1nhxA1 ILE 312 HG23 0.11 0.04 -0.14 -0.04 0.93 0.91 1nhxA1 ILE 312 HD13 -0.03 -0.01 -0.18 -0.04 0.88 0.61 1nhxA1 ALA 313 H 0.22 0.56 0.37 -0.55 8.40 8.99 1nhxA1 ALA 313 HA 0.09 0.27 0.93 -0.75 4.34 4.87 1nhxA1 ALA 313 HB3 0.16 -0.01 -0.12 -0.04 1.41 1.40 1nhxA1 TRP 314 H 0.23 0.69 0.35 -0.55 7.97 8.69 1nhxA1 TRP 314 HA 0.32 0.27 1.16 -0.75 4.62 5.61 1nhxA1 TRP 314 HB2 0.06 -0.04 0.18 -0.04 3.23 3.38 1nhxA1 TRP 314 HB3 0.14 0.05 0.03 -0.04 3.23 3.41 1nhxA1 TRP 314 HD1 0.26 0.03 -0.19 -0.04 7.22 7.27 1nhxA1 TRP 314 HE1 0.19 0.53 0.15 -0.04 10.20 11.02 1nhxA1 TRP 314 HE3 -0.10 0.13 -0.01 -0.04 7.59 7.56 1nhxA1 TRP 314 HZ2 0.02 -0.10 -0.07 -0.04 7.44 7.25 1nhxA1 TRP 314 HZ3 -0.01 0.04 0.12 -0.04 7.13 7.24 1nhxA1 TRP 314 HH2 -0.08 -0.08 -0.01 -0.04 7.19 6.97 1nhxA1 MET 315 H 0.41 0.80 0.37 -0.55 8.47 9.50 1nhxA1 MET 315 HA 0.09 0.50 1.01 -0.75 4.52 5.37 1nhxA1 MET 315 HB2 0.05 -0.05 -0.00 -0.04 2.15 2.11 1nhxA1 MET 315 HB3 -0.05 -0.04 -0.20 -0.04 2.03 1.70 1nhxA1 MET 315 HG2 0.09 0.03 -0.38 -0.04 2.63 2.32 1nhxA1 MET 315 HG3 0.18 -0.05 -0.47 -0.04 2.56 2.18 1nhxA1 MET 315 HE3 0.18 -0.01 -0.16 -0.04 2.10 2.07 1nhxA1 LYS 316 H -0.04 0.60 0.31 -0.55 8.42 8.74 1nhxA1 LYS 316 HA -0.06 0.09 0.75 -0.75 4.32 4.34 1nhxA1 LYS 316 HB2 -0.10 -0.00 -0.18 -0.04 1.87 1.55 1nhxA1 LYS 316 HB3 -0.07 -0.00 -0.03 -0.04 1.79 1.65 1nhxA1 LYS 316 HG2 0.04 0.09 0.03 -0.04 1.46 1.57 1nhxA1 LYS 316 HG3 0.08 0.01 0.00 -0.04 1.46 1.51 1nhxA1 LYS 316 HD2 -0.15 -0.05 -0.09 -0.04 1.69 1.36 1nhxA1 LYS 316 HD3 -0.02 0.05 -0.06 -0.04 1.68 1.61 1nhxA1 LYS 316 HE2 -0.06 0.05 -0.06 -0.04 2.99 2.88 1nhxA1 LYS 316 HE3 -0.24 -0.03 -0.07 -0.04 2.99 2.62 1nhxA1 PHE 317 H -0.14 0.19 0.12 -0.55 8.34 7.96 1nhxA1 PHE 317 HA -0.09 0.17 0.40 -0.75 4.62 4.35 1nhxA1 PHE 317 HB2 -0.32 0.01 0.12 -0.04 3.15 2.92 1nhxA1 PHE 317 HB3 -0.20 0.08 -0.05 -0.04 3.06 2.86 1nhxA1 PHE 317 HD2 -0.44 0.02 -0.27 -0.04 7.28 6.54 1nhxA1 PHE 317 HE2 -0.30 0.02 -0.05 -0.04 7.38 7.01 1nhxA1 PHE 317 HZ -0.39 -0.02 -0.04 -0.04 7.32 6.83 1nhxA1 ASP 318 H 0.16 0.49 0.30 -0.55 8.40 8.80 1nhxA1 ASP 318 HA 0.07 0.23 0.78 -0.75 4.63 4.95 1nhxA1 ASP 318 HB2 0.06 -0.12 0.22 -0.04 2.71 2.82 1nhxA1 ASP 318 HB3 0.05 0.18 0.12 -0.04 2.70 3.01 1nhxA1 ALA 319 H 0.05 0.15 0.15 -0.55 8.40 8.21 1nhxA1 ALA 319 HA 0.05 0.16 0.38 -0.75 4.34 4.17 1nhxA1 ALA 319 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1nhxA1 GLN 320 H 0.09 -0.00 -0.27 -0.55 8.47 7.74 1nhxA1 GLN 320 HA 0.00 0.24 0.80 -0.75 4.36 4.64 1nhxA1 GLN 320 HB2 0.23 -0.06 0.03 -0.04 2.15 2.32 1nhxA1 GLN 320 HB3 0.07 0.06 0.15 -0.04 2.02 2.26 1nhxA1 GLN 320 HG2 0.08 -0.00 -0.00 -0.04 2.40 2.44 1nhxA1 GLN 320 HG3 0.04 0.06 -0.03 -0.04 2.39 2.41 1nhxA1 GLN 320 HE21 0.05 -0.02 0.01 -0.04 6.97 6.97 1nhxA1 GLN 320 HE22 0.11 0.05 0.00 -0.04 7.69 7.82 1nhxA1 GLY 321 H 0.05 0.40 -0.42 -0.55 8.43 7.91 1nhxA1 GLY 321 HA2 -0.07 0.08 0.18 -0.51 4.01 3.70 1nhxA1 GLY 321 HA3 -0.15 0.31 0.28 -0.51 4.01 3.94 1nhxA1 HIS 322 H 0.13 -0.09 -0.19 -0.55 8.41 7.72 1nhxA1 HIS 322 HA 0.10 0.29 0.82 -0.75 4.63 5.09 1nhxA1 HIS 322 HB2 0.04 -0.12 -0.00 -0.04 3.26 3.14 1nhxA1 HIS 322 HB3 0.04 0.07 -0.07 -0.04 3.20 3.20 1nhxA1 HIS 322 HD2 0.03 -0.16 -0.10 -0.04 6.97 6.69 1nhxA1 HIS 322 HE1 0.02 0.00 -0.03 -0.04 7.75 7.70 1nhxA1 LEU 323 H 0.10 0.33 0.16 -0.55 8.37 8.41 1nhxA1 LEU 323 HA -0.23 0.09 0.36 -0.75 4.35 3.81 1nhxA1 LEU 323 HB2 -0.11 0.11 0.14 -0.04 1.64 1.75 1nhxA1 LEU 323 HB3 -0.05 -0.07 0.10 -0.04 1.64 1.58 1nhxA1 LEU 323 HG -0.21 -0.03 -0.20 -0.04 1.64 1.15 1nhxA1 LEU 323 HD13 -1.12 0.01 -0.25 -0.04 0.93 -0.47 1nhxA1 LEU 323 HD23 -0.18 0.00 -0.08 -0.04 0.89 0.59 1nhxA1 ARG 324 H -0.05 0.79 0.26 -0.55 8.46 8.91 1nhxA1 ARG 324 HA -0.02 0.15 0.64 -0.75 4.34 4.36 1nhxA1 ARG 324 HB2 -0.02 0.02 0.12 -0.04 1.90 1.97 1nhxA1 ARG 324 HB3 -0.04 0.12 -0.08 -0.04 1.80 1.76 1nhxA1 ARG 324 HG2 0.03 0.06 -0.03 -0.04 1.67 1.70 1nhxA1 ARG 324 HG3 0.00 -0.01 -0.01 -0.04 1.67 1.61 1nhxA1 ARG 324 HD2 -0.00 -0.04 -0.40 -0.04 3.22 2.73 1nhxA1 ARG 324 HD3 0.03 -0.14 -0.16 -0.04 3.22 2.91 1nhxA1 ALA 325 H -0.03 0.69 0.31 -0.55 8.40 8.82 1nhxA1 ALA 325 HA 0.07 0.41 0.98 -0.75 4.34 5.04 1nhxA1 ALA 325 HB3 0.05 -0.03 -0.07 -0.04 1.41 1.33 1nhxA1 ILE 326 H 0.10 0.69 0.38 -0.55 8.25 8.86 1nhxA1 ILE 326 HA -0.03 0.15 0.65 -0.75 4.18 4.20 1nhxA1 ILE 326 HB -0.09 0.07 0.02 -0.04 1.89 1.84 1nhxA1 ILE 326 HG12 0.10 0.06 -0.02 -0.04 1.49 1.60 1nhxA1 ILE 326 HG13 -0.01 -0.13 -0.13 -0.04 1.21 0.91 1nhxA1 ILE 326 HG23 -0.05 0.01 -0.16 -0.04 0.93 0.69 1nhxA1 ILE 326 HD13 -0.01 0.02 -0.21 -0.04 0.88 0.64 1nhxA1 ASN 327 H -0.01 0.27 0.12 -0.55 8.53 8.37 1nhxA1 ASN 327 HA -0.06 0.28 0.94 -0.75 4.76 5.16 1nhxA1 ASN 327 HB2 0.12 -0.08 0.02 -0.04 2.88 2.89 1nhxA1 ASN 327 HB3 0.18 0.16 0.26 -0.04 2.79 3.35 1nhxA1 ASN 327 HD21 0.08 -0.17 0.06 -0.04 7.03 6.96 1nhxA1 ASN 327 HD22 0.28 0.48 0.28 -0.04 7.74 8.74 1nhxA1 PRO 328 HA -0.53 0.09 0.36 -0.51 4.44 3.85 1nhxA1 PRO 328 HB2 -1.07 -0.03 -0.03 -0.04 2.28 1.10 1nhxA1 PRO 328 HB3 -2.42 0.10 -0.06 -0.04 2.02 -0.39 1nhxA1 PRO 328 HG2 -0.47 -0.05 -0.03 -0.04 2.03 1.44 1nhxA1 PRO 328 HG3 -1.18 0.10 -0.06 -0.04 2.03 0.85 1nhxA1 PRO 328 HD2 -0.23 0.20 0.20 -0.04 3.68 3.80 1nhxA1 PRO 328 HD3 -0.48 0.21 0.08 -0.04 3.65 3.43 1nhxA1 GLU 329 H -0.15 0.02 -0.21 -0.55 8.60 7.71 1nhxA1 GLU 329 HA -0.13 0.24 0.77 -0.75 4.29 4.42 1nhxA1 GLU 329 HB2 -0.04 -0.02 0.12 -0.04 2.09 2.11 1nhxA1 GLU 329 HB3 -0.08 -0.04 0.24 -0.04 1.99 2.07 1nhxA1 GLU 329 HG2 -0.13 0.05 -0.06 -0.04 2.34 2.16 1nhxA1 GLU 329 HG3 -0.10 -0.03 0.05 -0.04 2.34 2.22 1nhxA1 ASN 330 H -0.06 0.42 0.15 -0.55 8.53 8.50 1nhxA1 ASN 330 HA 0.30 0.15 0.73 -0.75 4.76 5.18 1nhxA1 ASN 330 HB2 0.01 -0.12 -0.42 -0.04 2.88 2.30 1nhxA1 ASN 330 HB3 -0.01 0.26 -0.42 -0.04 2.79 2.58 1nhxA1 ASN 330 HD21 0.05 -0.17 0.07 -0.04 7.03 6.93 1nhxA1 ASN 330 HD22 0.01 0.55 -0.08 -0.04 7.74 8.18 1nhxA1 GLY 331 H -0.15 0.10 0.14 -0.55 8.43 7.98 1nhxA1 GLY 331 HA2 -0.58 -0.04 0.68 -0.51 4.01 3.56 1nhxA1 GLY 331 HA3 -0.21 0.13 0.22 -0.51 4.01 3.64 1nhxA1 PHE 332 H -0.18 0.68 0.22 -0.55 8.34 8.51 1nhxA1 PHE 332 HA 0.02 0.11 0.94 -0.75 4.62 4.93 1nhxA1 PHE 332 HB2 0.17 0.02 0.00 -0.04 3.15 3.30 1nhxA1 PHE 332 HB3 0.06 -0.04 -0.05 -0.04 3.06 2.99 1nhxA1 PHE 332 HD2 -0.01 -0.03 -0.11 -0.04 7.28 7.09 1nhxA1 PHE 332 HE2 -0.12 0.01 -0.13 -0.04 7.38 7.10 1nhxA1 PHE 332 HZ -0.24 0.09 -0.13 -0.04 7.32 6.99 1nhxA1 PHE 333 H 0.20 0.17 -0.01 -0.55 8.34 8.15 1nhxA1 PHE 333 HA -0.14 0.32 0.93 -0.75 4.62 4.96 1nhxA1 PHE 333 HB2 -0.08 -0.02 -0.03 -0.04 3.15 2.99 1nhxA1 PHE 333 HB3 -0.06 -0.03 0.16 -0.04 3.06 3.10 1nhxA1 PHE 333 HD2 -0.08 0.02 -0.02 -0.04 7.28 7.16 1nhxA1 PHE 333 HE2 -0.05 -0.03 -0.08 -0.04 7.38 7.19 1nhxA1 PHE 333 HZ -0.27 -0.08 -0.04 -0.04 7.32 6.89 1nhxA1 GLY 334 H -0.90 0.52 0.05 -0.55 8.43 7.56 1nhxA1 GLY 334 HA2 -0.40 0.04 0.45 -0.51 4.01 3.58 1nhxA1 GLY 334 HA3 -1.05 0.03 0.15 -0.51 4.01 2.64 1nhxA1 VAL 335 H -0.33 0.03 0.16 -0.55 8.24 7.55 1nhxA1 VAL 335 HA -0.39 0.29 0.64 -0.75 4.13 3.92 1nhxA1 VAL 335 HB -0.17 -0.13 0.15 -0.04 2.12 1.93 1nhxA1 VAL 335 HG13 -0.18 0.05 -0.06 -0.04 0.97 0.75 1nhxA1 VAL 335 HG23 -0.13 -0.01 0.09 -0.04 0.95 0.86 1nhxA1 ALA 336 H -0.41 0.62 0.16 -0.55 8.40 8.23 1nhxA1 ALA 336 HA -0.51 0.06 0.41 -0.75 4.34 3.55 1nhxA1 ALA 336 HB3 -0.93 -0.03 -0.21 -0.04 1.41 0.20 1nhxA1 PRO 337 HA -0.19 0.01 0.31 -0.51 4.44 4.07 1nhxA1 PRO 337 HB2 -0.11 0.06 0.00 -0.04 2.28 2.19 1nhxA1 PRO 337 HB3 -0.03 -0.12 0.08 -0.04 2.02 1.91 1nhxA1 PRO 337 HG2 -0.17 0.16 0.07 -0.04 2.03 2.05 1nhxA1 PRO 337 HG3 -0.11 -0.10 0.02 -0.04 2.03 1.79 1nhxA1 PRO 337 HD2 -0.27 0.18 0.06 -0.04 3.68 3.61 1nhxA1 PRO 337 HD3 -0.33 0.05 0.07 -0.04 3.65 3.40 1nhxA1 GLY 338 H 0.15 0.60 0.19 -0.55 8.43 8.83 1nhxA1 GLY 338 HA2 0.09 -0.08 0.28 -0.51 4.01 3.79 1nhxA1 GLY 338 HA3 0.03 0.08 0.57 -0.51 4.01 4.18 1nhxA1 THR 339 H -0.04 0.42 -0.29 -0.55 8.28 7.83 1nhxA1 THR 339 HA 0.10 0.02 0.64 -0.75 4.39 4.39 1nhxA1 THR 339 HB 0.01 -0.00 0.06 -0.04 4.32 4.34 1nhxA1 THR 339 HG23 0.06 -0.03 -0.22 -0.04 1.22 0.98 1nhxA1 SER 340 H 0.09 0.13 0.13 -0.55 8.46 8.26 1nhxA1 SER 340 HA 0.09 0.25 0.67 -0.75 4.49 4.75 1nhxA1 SER 340 HB2 -0.01 0.07 0.04 -0.04 3.95 4.00 1nhxA1 SER 340 HB3 0.05 0.36 -0.25 -0.04 3.93 4.05 1nhxA1 VAL 341 H -0.02 0.29 0.10 -0.55 8.24 8.06 1nhxA1 VAL 341 HA -0.02 0.09 0.39 -0.75 4.13 3.84 1nhxA1 VAL 341 HB -0.04 0.00 0.10 -0.04 2.12 2.15 1nhxA1 VAL 341 HG13 -0.03 0.01 -0.02 -0.04 0.97 0.89 1nhxA1 VAL 341 HG23 -0.02 0.02 0.05 -0.04 0.95 0.95 1nhxA1 LYS 342 H -0.05 0.06 -0.19 -0.55 8.42 7.69 1nhxA1 LYS 342 HA -0.09 0.16 0.56 -0.75 4.32 4.19 1nhxA1 LYS 342 HB2 -0.12 -0.03 0.07 -0.04 1.87 1.75 1nhxA1 LYS 342 HB3 -0.23 0.04 -0.05 -0.04 1.79 1.51 1nhxA1 LYS 342 HG2 -0.12 0.04 0.03 -0.04 1.46 1.36 1nhxA1 LYS 342 HG3 -0.08 -0.03 -0.02 -0.04 1.46 1.29 1nhxA1 LYS 342 HD2 -0.11 -0.01 0.01 -0.04 1.69 1.54 1nhxA1 LYS 342 HD3 -0.15 0.01 -0.00 -0.04 1.68 1.50 1nhxA1 LYS 342 HE2 -0.08 0.01 -0.00 -0.04 2.99 2.88 1nhxA1 LYS 342 HE3 -0.07 0.01 0.01 -0.04 2.99 2.90 1nhxA1 THR 343 H -0.04 0.01 -0.15 -0.55 8.28 7.55 1nhxA1 THR 343 HA 0.03 0.09 0.48 -0.75 4.39 4.23 1nhxA1 THR 343 HB 0.24 -0.01 0.10 -0.04 4.32 4.61 1nhxA1 THR 343 HG23 -0.03 -0.01 0.03 -0.04 1.22 1.16 1nhxA1 ASN 344 H 0.01 0.48 -0.26 -0.55 8.53 8.21 1nhxA1 ASN 344 HA -0.01 0.17 0.47 -0.75 4.76 4.64 1nhxA1 ASN 344 HB2 0.02 0.07 -0.28 -0.04 2.88 2.65 1nhxA1 ASN 344 HB3 0.00 -0.06 0.10 -0.04 2.79 2.79 1nhxA1 ASN 344 HD21 -0.06 0.11 -0.26 -0.04 7.03 6.77 1nhxA1 ASN 344 HD22 0.00 -0.03 -0.21 -0.04 7.74 7.46 1nhxA1 PRO 345 HA -0.02 -0.01 0.45 -0.51 4.44 4.35 1nhxA1 PRO 345 HB2 -0.03 0.00 0.04 -0.04 2.28 2.25 1nhxA1 PRO 345 HB3 -0.03 0.13 0.21 -0.04 2.02 2.29 1nhxA1 PRO 345 HG2 -0.03 -0.00 0.11 -0.04 2.03 2.07 1nhxA1 PRO 345 HG3 -0.03 0.07 0.11 -0.04 2.03 2.15 1nhxA1 PRO 345 HD2 -0.02 0.09 0.07 -0.04 3.68 3.78 1nhxA1 PRO 345 HD3 -0.03 0.31 -0.06 -0.04 3.65 3.83 1nhxA1 ASN 346 H -0.04 0.21 -0.21 -0.55 8.53 7.94 1nhxA1 ASN 346 HA -0.04 0.10 0.52 -0.75 4.76 4.58 1nhxA1 ASN 346 HB2 -0.07 0.15 0.06 -0.04 2.88 2.98 1nhxA1 ASN 346 HB3 -0.06 -0.07 0.02 -0.04 2.79 2.64 1nhxA1 ASN 346 HD21 -0.02 -0.01 -0.06 -0.04 7.03 6.90 1nhxA1 ASN 346 HD22 -0.04 0.46 -0.08 -0.04 7.74 8.05 1nhxA1 ALA 347 H -0.08 0.13 -0.23 -0.55 8.40 7.68 1nhxA1 ALA 347 HA -0.18 0.07 0.45 -0.75 4.34 3.93 1nhxA1 ALA 347 HB3 -0.17 0.03 -0.04 -0.04 1.41 1.18 1nhxA1 ILE 348 H -0.06 0.42 -0.33 -0.55 8.25 7.73 1nhxA1 ILE 348 HA -0.04 0.02 0.24 -0.75 4.18 3.64 1nhxA1 ILE 348 HB -0.02 0.13 0.02 -0.04 1.89 1.98 1nhxA1 ILE 348 HG12 0.02 0.14 -0.28 -0.04 1.49 1.34 1nhxA1 ILE 348 HG13 0.02 -0.16 -0.54 -0.04 1.21 0.48 1nhxA1 ILE 348 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.67 1nhxA1 ILE 348 HD13 0.14 0.02 -0.27 -0.04 0.88 0.73 1nhxA1 LYS 349 H -0.05 0.38 -0.17 -0.55 8.42 8.02 1nhxA1 LYS 349 HA -0.02 0.01 0.47 -0.75 4.32 4.03 1nhxA1 LYS 349 HB2 -0.03 0.06 0.17 -0.04 1.87 2.03 1nhxA1 LYS 349 HB3 -0.02 -0.00 0.07 -0.04 1.79 1.80 1nhxA1 LYS 349 HG2 -0.01 -0.05 0.03 -0.04 1.46 1.39 1nhxA1 LYS 349 HG3 -0.02 0.03 0.07 -0.04 1.46 1.50 1nhxA1 LYS 349 HD2 -0.02 0.02 -0.07 -0.04 1.69 1.58 1nhxA1 LYS 349 HD3 -0.02 -0.00 0.02 -0.04 1.68 1.64 1nhxA1 LYS 349 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 1nhxA1 LYS 349 HE3 -0.02 -0.03 0.00 -0.04 2.99 2.91 1nhxA1 THR 350 H -0.07 0.45 -0.20 -0.55 8.28 7.91 1nhxA1 THR 350 HA -0.02 0.18 0.27 -0.75 4.39 4.05 1nhxA1 THR 350 HB -0.10 0.06 0.06 -0.04 4.32 4.30 1nhxA1 THR 350 HG23 0.10 -0.05 -0.26 -0.04 1.22 0.96 1nhxA1 ILE 351 H -0.13 0.40 -0.34 -0.55 8.25 7.63 1nhxA1 ILE 351 HA -0.10 0.14 0.26 -0.75 4.18 3.73 1nhxA1 ILE 351 HB -0.03 -0.09 0.02 -0.04 1.89 1.74 1nhxA1 ILE 351 HG12 -0.14 0.25 0.01 -0.04 1.49 1.58 1nhxA1 ILE 351 HG13 0.00 0.02 -0.28 -0.04 1.21 0.92 1nhxA1 ILE 351 HG23 -0.64 -0.00 -0.13 -0.04 0.93 0.12 1nhxA1 ILE 351 HD13 0.12 -0.06 -0.17 -0.04 0.88 0.74 1nhxA1 GLN 352 H -0.04 0.43 -0.55 -0.55 8.47 7.76 1nhxA1 GLN 352 HA -0.13 -0.01 0.44 -0.75 4.36 3.92 1nhxA1 GLN 352 HB2 0.00 0.17 0.09 -0.04 2.15 2.37 1nhxA1 GLN 352 HB3 0.05 -0.12 0.08 -0.04 2.02 1.98 1nhxA1 GLN 352 HG2 -0.02 0.21 0.13 -0.04 2.40 2.68 1nhxA1 GLN 352 HG3 0.02 -0.10 0.04 -0.04 2.39 2.31 1nhxA1 GLN 352 HE21 -0.05 -0.14 -0.09 -0.04 6.97 6.64 1nhxA1 GLN 352 HE22 -0.04 0.63 -0.02 -0.04 7.69 8.21 1nhxA1 LYS 353 H -0.00 0.37 -0.20 -0.55 8.42 8.03 1nhxA1 LYS 353 HA 0.08 0.20 0.77 -0.75 4.32 4.62 1nhxA1 LYS 353 HB2 0.06 -0.02 0.13 -0.04 1.87 1.99 1nhxA1 LYS 353 HB3 0.05 -0.06 -0.17 -0.04 1.79 1.58 1nhxA1 LYS 353 HG2 0.02 0.09 0.01 -0.04 1.46 1.53 1nhxA1 LYS 353 HG3 0.03 0.01 -0.23 -0.04 1.46 1.24 1nhxA1 LYS 353 HD2 0.04 -0.06 -0.04 -0.04 1.69 1.59 1nhxA1 LYS 353 HD3 0.03 -0.04 -0.04 -0.04 1.68 1.60 1nhxA1 LYS 353 HE2 0.02 0.04 -0.01 -0.04 2.99 3.00 1nhxA1 LYS 353 HE3 0.02 0.05 -0.02 -0.04 2.99 3.00 1nhxA1 ASN 354 H 0.10 0.51 0.15 -0.55 8.53 8.75 1nhxA1 ASN 354 HA 0.15 0.18 0.42 -0.75 4.76 4.76 1nhxA1 ASN 354 HB2 0.04 0.14 -0.10 -0.04 2.88 2.92 1nhxA1 ASN 354 HB3 0.06 -0.06 0.21 -0.04 2.79 2.96 1nhxA1 ASN 354 HD21 0.05 -0.05 -0.05 -0.04 7.03 6.94 1nhxA1 ASN 354 HD22 0.04 0.07 -0.10 -0.04 7.74 7.70 1nhxA1 THR 355 H 0.12 0.12 -0.07 -0.55 8.28 7.91 1nhxA1 THR 355 HA -0.03 0.28 1.03 -0.75 4.39 4.91 1nhxA1 THR 355 HB -0.08 -0.01 -0.09 -0.04 4.32 4.09 1nhxA1 THR 355 HG23 -0.64 -0.02 -0.28 -0.04 1.22 0.24 1nhxA1 ILE 356 H -0.06 0.53 0.32 -0.55 8.25 8.50 1nhxA1 ILE 356 HA 0.24 0.17 1.03 -0.75 4.18 4.86 1nhxA1 ILE 356 HB 0.00 -0.03 0.13 -0.04 1.89 1.95 1nhxA1 ILE 356 HG12 0.13 -0.02 -0.12 -0.04 1.49 1.44 1nhxA1 ILE 356 HG13 0.07 0.02 -0.18 -0.04 1.21 1.09 1nhxA1 ILE 356 HG23 0.20 -0.02 -0.23 -0.04 0.93 0.85 1nhxA1 ILE 356 HD13 -0.11 -0.01 -0.19 -0.04 0.88 0.53 1nhxA1 PHE 357 H 0.43 0.80 0.43 -0.55 8.34 9.43 1nhxA1 PHE 357 HA 0.12 0.30 1.04 -0.75 4.62 5.33 1nhxA1 PHE 357 HB2 0.19 0.01 0.13 -0.04 3.15 3.44 1nhxA1 PHE 357 HB3 0.19 -0.07 0.05 -0.04 3.06 3.18 1nhxA1 PHE 357 HD2 0.20 0.07 -0.05 -0.04 7.28 7.46 1nhxA1 PHE 357 HE2 0.11 0.02 -0.10 -0.04 7.38 7.36 1nhxA1 PHE 357 HZ -0.10 0.18 -0.07 -0.04 7.32 7.29 1nhxA1 THR 358 H 0.16 0.61 0.36 -0.55 8.28 8.86 1nhxA1 THR 358 HA 0.17 0.33 1.14 -0.75 4.39 5.27 1nhxA1 THR 358 HB 0.01 -0.07 0.15 -0.04 4.32 4.38 1nhxA1 THR 358 HG23 -0.13 -0.00 -0.10 -0.04 1.22 0.95 1nhxA1 ASN 359 H 0.13 0.69 0.39 -0.55 8.53 9.18 1nhxA1 ASN 359 HA 0.24 0.12 0.50 -0.75 4.76 4.87 1nhxA1 ASN 359 HB2 -0.10 0.13 -0.18 -0.04 2.88 2.70 1nhxA1 ASN 359 HB3 -0.39 -0.15 0.31 -0.04 2.79 2.52 1nhxA1 ASN 359 HD21 -0.20 0.06 -0.06 -0.04 7.03 6.79 1nhxA1 ASN 359 HD22 -0.40 0.02 -0.05 -0.04 7.74 7.27 1nhxA1 VAL 360 H 0.18 0.06 -0.30 -0.55 8.24 7.64 1nhxA1 VAL 360 HA 0.14 0.05 0.91 -0.75 4.13 4.46 1nhxA1 VAL 360 HB 0.43 0.08 0.16 -0.04 2.12 2.74 1nhxA1 VAL 360 HG13 0.25 0.00 -0.13 -0.04 0.97 1.06 1nhxA1 VAL 360 HG23 0.18 0.03 -0.16 -0.04 0.95 0.95 1nhxA1 ALA 361 H 0.15 0.46 0.23 -0.55 8.40 8.70 1nhxA1 ALA 361 HA 0.10 0.22 0.71 -0.75 4.34 4.62 1nhxA1 ALA 361 HB3 -0.03 -0.00 -0.15 -0.04 1.41 1.18 1nhxA1 GLU 362 H 0.03 0.75 0.26 -0.55 8.60 9.09 1nhxA1 GLU 362 HA 0.00 0.33 0.98 -0.75 4.29 4.84 1nhxA1 GLU 362 HB2 0.04 0.03 -0.11 -0.04 2.09 2.01 1nhxA1 GLU 362 HB3 0.04 -0.01 0.08 -0.04 1.99 2.06 1nhxA1 GLU 362 HG2 -0.00 -0.09 -0.19 -0.04 2.34 2.02 1nhxA1 GLU 362 HG3 -0.02 0.08 -0.02 -0.04 2.34 2.34 1nhxA1 THR 363 H -0.05 0.45 -0.01 -0.55 8.28 8.12 1nhxA1 THR 363 HA -0.10 0.24 0.73 -0.75 4.39 4.50 1nhxA1 THR 363 HB -0.12 -0.07 0.06 -0.04 4.32 4.16 1nhxA1 THR 363 HG23 -0.16 0.04 -0.25 -0.04 1.22 0.81 1nhxA1 SER 364 H -0.07 0.33 0.31 -0.55 8.46 8.48 1nhxA1 SER 364 HA -0.04 0.14 0.38 -0.75 4.49 4.23 1nhxA1 SER 364 HB2 -0.03 0.07 0.14 -0.04 3.95 4.08 1nhxA1 SER 364 HB3 -0.03 0.01 0.17 -0.04 3.93 4.04 1nhxA1 ASP 365 H -0.08 0.00 -0.27 -0.55 8.40 7.51 1nhxA1 ASP 365 HA -0.07 0.27 0.87 -0.75 4.63 4.94 1nhxA1 ASP 365 HB2 -0.10 0.07 0.14 -0.04 2.71 2.78 1nhxA1 ASP 365 HB3 -0.07 0.02 0.03 -0.04 2.70 2.63 1nhxA1 GLY 366 H -0.08 0.48 -0.42 -0.55 8.43 7.86 1nhxA1 GLY 366 HA2 -0.08 0.15 0.30 -0.51 4.01 3.87 1nhxA1 GLY 366 HA3 -0.13 -0.06 0.37 -0.51 4.01 3.68 1nhxA1 GLY 367 H -0.12 -0.05 -0.19 -0.55 8.43 7.53 1nhxA1 GLY 367 HA2 -0.27 0.21 0.75 -0.51 4.01 4.19 1nhxA1 GLY 367 HA3 -0.13 0.04 0.24 -0.51 4.01 3.65 1nhxA1 VAL 368 H 0.12 0.17 0.10 -0.55 8.24 8.07 1nhxA1 VAL 368 HA -0.07 0.39 1.01 -0.75 4.13 4.70 1nhxA1 VAL 368 HB -0.21 -0.02 0.04 -0.04 2.12 1.88 1nhxA1 VAL 368 HG13 -0.65 0.02 -0.15 -0.04 0.97 0.15 1nhxA1 VAL 368 HG23 -0.54 -0.00 -0.09 -0.04 0.95 0.28 1nhxA1 TYR 369 H -0.04 0.55 0.18 -0.55 8.29 8.44 1nhxA1 TYR 369 HA -0.65 0.13 0.47 -0.75 4.56 3.76 1nhxA1 TYR 369 HB2 -0.19 -0.00 -0.52 -0.04 3.06 2.31 1nhxA1 TYR 369 HB3 -0.20 -0.08 -0.28 -0.04 2.98 2.37 1nhxA1 TYR 369 HD2 -0.25 0.08 -0.09 -0.04 7.15 6.85 1nhxA1 TYR 369 HE2 -0.07 0.05 -0.06 -0.04 6.85 6.73 1nhxA1 TRP 370 H -0.95 0.32 0.12 -0.55 7.97 6.91 1nhxA1 TRP 370 HA -0.16 -0.00 0.41 -0.75 4.62 4.11 1nhxA1 TRP 370 HB2 -0.10 0.02 0.02 -0.04 3.23 3.12 1nhxA1 TRP 370 HB3 -0.09 0.12 -0.02 -0.04 3.23 3.20 1nhxA1 TRP 370 HD1 -0.12 0.05 -0.45 -0.04 7.22 6.67 1nhxA1 TRP 370 HE1 -0.07 0.68 0.01 -0.04 10.20 10.78 1nhxA1 TRP 370 HE3 -0.04 0.01 -0.28 -0.04 7.59 7.24 1nhxA1 TRP 370 HZ2 -0.04 0.06 -0.16 -0.04 7.44 7.26 1nhxA1 TRP 370 HZ3 -0.17 0.02 -0.16 -0.04 7.13 6.78 1nhxA1 TRP 370 HH2 0.06 0.06 -0.16 -0.04 7.19 7.11 1nhxA1 GLU 371 H 0.08 0.15 0.14 -0.55 8.60 8.42 1nhxA1 GLU 371 HA 0.04 0.01 0.54 -0.75 4.29 4.12 1nhxA1 GLU 371 HB2 0.05 0.06 0.16 -0.04 2.09 2.32 1nhxA1 GLU 371 HB3 0.07 0.09 0.00 -0.04 1.99 2.11 1nhxA1 GLU 371 HG2 0.07 0.12 0.06 -0.04 2.34 2.56 1nhxA1 GLU 371 HG3 0.11 0.02 0.08 -0.04 2.34 2.51 1nhxA1 GLY 372 H 0.04 0.12 0.21 -0.55 8.43 8.25 1nhxA1 GLY 372 HA2 0.04 0.04 0.31 -0.51 4.01 3.89 1nhxA1 GLY 372 HA3 0.10 0.11 0.40 -0.51 4.01 4.11 1nhxA1 ILE 373 H -0.14 0.36 -0.28 -0.55 8.25 7.64 1nhxA1 ILE 373 HA 0.03 0.43 0.43 -0.75 4.18 4.31 1nhxA1 ILE 373 HB -1.42 -0.03 0.04 -0.04 1.89 0.44 1nhxA1 ILE 373 HG12 -0.47 -0.04 -0.07 -0.04 1.49 0.87 1nhxA1 ILE 373 HG13 -0.52 0.20 0.07 -0.04 1.21 0.91 1nhxA1 ILE 373 HG23 -1.17 -0.04 -0.03 -0.04 0.93 -0.34 1nhxA1 ILE 373 HD13 -1.31 -0.01 -0.11 -0.04 0.88 -0.59 1nhxA1 ASP 374 H -0.13 -0.06 -0.28 -0.55 8.40 7.39 1nhxA1 ASP 374 HA -0.04 -0.03 0.20 -0.75 4.63 4.00 1nhxA1 ASP 374 HB2 -0.03 0.06 -0.28 -0.04 2.71 2.42 1nhxA1 ASP 374 HB3 -0.05 0.08 -0.13 -0.04 2.70 2.56 1nhxA1 GLU 375 H -0.09 0.02 -0.27 -0.55 8.60 7.71 1nhxA1 GLU 375 HA -0.03 0.22 0.82 -0.75 4.29 4.56 1nhxA1 GLU 375 HB2 -0.18 -0.01 -0.24 -0.04 2.09 1.62 1nhxA1 GLU 375 HB3 0.01 -0.04 -0.02 -0.04 1.99 1.91 1nhxA1 GLU 375 HG2 -0.03 0.01 -0.04 -0.04 2.34 2.24 1nhxA1 GLU 375 HG3 -0.05 0.07 0.03 -0.04 2.34 2.34 1nhxA1 PRO 376 HA 0.06 -0.05 0.39 -0.51 4.44 4.33 1nhxA1 PRO 376 HB2 0.01 0.04 -0.02 -0.04 2.28 2.26 1nhxA1 PRO 376 HB3 0.02 0.02 0.05 -0.04 2.02 2.06 1nhxA1 PRO 376 HG2 0.00 0.05 0.03 -0.04 2.03 2.07 1nhxA1 PRO 376 HG3 0.01 0.00 0.01 -0.04 2.03 2.01 1nhxA1 PRO 376 HD2 -0.00 0.14 0.14 -0.04 3.68 3.91 1nhxA1 PRO 376 HD3 -0.00 0.18 -0.10 -0.04 3.65 3.69 1nhxA1 LEU 377 H 0.03 0.03 0.16 -0.55 8.37 8.04 1nhxA1 LEU 377 HA -0.03 0.07 0.55 -0.75 4.35 4.19 1nhxA1 LEU 377 HB2 -0.05 -0.04 0.08 -0.04 1.64 1.59 1nhxA1 LEU 377 HB3 -0.09 0.07 0.05 -0.04 1.64 1.63 1nhxA1 LEU 377 HG -0.16 -0.02 0.04 -0.04 1.64 1.47 1nhxA1 LEU 377 HD13 -0.12 0.03 -0.02 -0.04 0.93 0.78 1nhxA1 LEU 377 HD23 -0.46 -0.01 -0.12 -0.04 0.89 0.26 1nhxA1 ALA 378 H -0.04 0.08 0.13 -0.55 8.40 8.03 1nhxA1 ALA 378 HA -0.02 0.09 0.55 -0.75 4.34 4.21 1nhxA1 ALA 378 HB3 -0.03 0.01 0.08 -0.04 1.41 1.43 1nhxA1 SER 379 H -0.02 0.11 0.13 -0.55 8.46 8.13 1nhxA1 SER 379 HA -0.02 0.02 0.37 -0.75 4.49 4.11 1nhxA1 SER 379 HB2 -0.02 0.03 0.01 -0.04 3.95 3.93 1nhxA1 SER 379 HB3 -0.02 0.02 0.13 -0.04 3.93 4.02 1nhxA1 GLY 380 H -0.03 0.13 0.17 -0.55 8.43 8.15 1nhxA1 GLY 380 HA2 -0.03 -0.01 0.31 -0.51 4.01 3.78 1nhxA1 GLY 380 HA3 -0.03 0.08 0.36 -0.51 4.01 3.92 1nhxA1 VAL 381 H -0.04 0.47 -0.40 -0.55 8.24 7.72 1nhxA1 VAL 381 HA -0.05 0.04 0.68 -0.75 4.13 4.04 1nhxA1 VAL 381 HB -0.07 0.10 0.09 -0.04 2.12 2.20 1nhxA1 VAL 381 HG13 -0.10 -0.05 -0.06 -0.04 0.97 0.72 1nhxA1 VAL 381 HG23 -0.06 0.02 -0.08 -0.04 0.95 0.79 1nhxA1 THR 382 H -0.05 0.10 0.25 -0.55 8.28 8.03 1nhxA1 THR 382 HA -0.04 0.22 0.91 -0.75 4.39 4.73 1nhxA1 THR 382 HB 0.00 0.00 0.10 -0.04 4.32 4.38 1nhxA1 THR 382 HG23 -0.02 0.04 -0.16 -0.04 1.22 1.04 1nhxA1 ILE 383 H 0.05 0.25 0.20 -0.55 8.25 8.19 1nhxA1 ILE 383 HA -0.05 0.25 0.86 -0.75 4.18 4.49 1nhxA1 ILE 383 HB 0.29 0.05 0.08 -0.04 1.89 2.27 1nhxA1 ILE 383 HG12 -0.48 0.03 -0.25 -0.04 1.49 0.76 1nhxA1 ILE 383 HG13 -0.16 -0.09 -0.34 -0.04 1.21 0.58 1nhxA1 ILE 383 HG23 -0.07 -0.02 -0.39 -0.04 0.93 0.41 1nhxA1 ILE 383 HD13 -0.02 -0.01 -0.11 -0.04 0.88 0.71 1nhxA1 THR 384 H 0.01 0.83 0.29 -0.55 8.28 8.87 1nhxA1 THR 384 HA 0.09 0.16 0.85 -0.75 4.39 4.73 1nhxA1 THR 384 HB 0.03 -0.00 0.16 -0.04 4.32 4.47 1nhxA1 THR 384 HG23 0.03 0.03 -0.18 -0.04 1.22 1.06 1nhxA1 SER 385 H 0.13 0.69 0.19 -0.55 8.46 8.92 1nhxA1 SER 385 HA -0.01 0.13 0.58 -0.75 4.49 4.43 1nhxA1 SER 385 HB2 0.06 0.10 0.18 -0.04 3.95 4.26 1nhxA1 SER 385 HB3 0.20 0.02 0.06 -0.04 3.93 4.16 1nhxA1 TRP 386 H 0.41 0.50 0.16 -0.55 7.97 8.49 1nhxA1 TRP 386 HA 0.02 0.19 0.39 -0.75 4.62 4.47 1nhxA1 TRP 386 HB2 0.01 -0.11 0.13 -0.04 3.23 3.23 1nhxA1 TRP 386 HB3 0.02 0.10 -0.09 -0.04 3.23 3.22 1nhxA1 TRP 386 HD1 -0.02 0.15 -0.38 -0.04 7.22 6.93 1nhxA1 TRP 386 HE1 0.06 0.07 -0.21 -0.04 10.20 10.09 1nhxA1 TRP 386 HE3 -0.07 -0.05 0.04 -0.04 7.59 7.47 1nhxA1 TRP 386 HZ2 0.17 0.01 -0.04 -0.04 7.44 7.54 1nhxA1 TRP 386 HZ3 -0.19 0.03 -0.16 -0.04 7.13 6.78 1nhxA1 TRP 386 HH2 -0.02 0.02 -0.01 -0.04 7.19 7.14 1nhxA1 LYS 387 H -0.46 0.01 -0.42 -0.55 8.42 6.99 1nhxA1 LYS 387 HA -0.57 0.26 0.82 -0.75 4.32 4.08 1nhxA1 LYS 387 HB2 -0.29 -0.01 0.00 -0.04 1.87 1.53 1nhxA1 LYS 387 HB3 -0.54 0.04 0.10 -0.04 1.79 1.35 1nhxA1 LYS 387 HG2 -1.14 -0.13 -0.08 -0.04 1.46 0.07 1nhxA1 LYS 387 HG3 -0.32 0.02 -0.06 -0.04 1.46 1.06 1nhxA1 LYS 387 HD2 -1.30 0.05 -0.06 -0.04 1.69 0.34 1nhxA1 LYS 387 HD3 -0.93 0.00 -0.09 -0.04 1.68 0.61 1nhxA1 LYS 387 HE2 -0.04 0.01 -0.04 -0.04 2.99 2.87 1nhxA1 LYS 387 HE3 -0.19 -0.01 -0.03 -0.04 2.99 2.72 1nhxA1 ASN 388 H -0.07 0.39 -0.41 -0.55 8.53 7.89 1nhxA1 ASN 388 HA -0.00 0.08 0.23 -0.75 4.76 4.31 1nhxA1 ASN 388 HB2 -0.03 0.02 -0.21 -0.04 2.88 2.62 1nhxA1 ASN 388 HB3 -0.04 0.07 0.15 -0.04 2.79 2.94 1nhxA1 ASN 388 HD21 0.02 -0.01 0.02 -0.04 7.03 7.01 1nhxA1 ASN 388 HD22 0.01 -0.00 0.02 -0.04 7.74 7.72 1nhxA1 LYS 389 H -0.01 0.05 -0.18 -0.55 8.42 7.73 1nhxA1 LYS 389 HA 0.01 0.19 0.90 -0.75 4.32 4.67 1nhxA1 LYS 389 HB2 0.01 -0.12 -0.10 -0.04 1.87 1.62 1nhxA1 LYS 389 HB3 0.04 0.13 -0.06 -0.04 1.79 1.85 1nhxA1 LYS 389 HG2 -0.02 0.02 -0.02 -0.04 1.46 1.41 1nhxA1 LYS 389 HG3 -0.06 0.18 -0.27 -0.04 1.46 1.27 1nhxA1 LYS 389 HD2 0.01 -0.00 -0.03 -0.04 1.69 1.62 1nhxA1 LYS 389 HD3 -0.02 -0.01 -0.02 -0.04 1.68 1.59 1nhxA1 LYS 389 HE2 -0.08 -0.07 -0.08 -0.04 2.99 2.73 1nhxA1 LYS 389 HE3 -0.03 -0.01 -0.04 -0.04 2.99 2.87 1nhxA1 GLU 390 H 0.03 0.14 0.14 -0.55 8.60 8.36 1nhxA1 GLU 390 HA 0.08 0.12 0.63 -0.75 4.29 4.37 1nhxA1 GLU 390 HB2 0.02 0.02 0.14 -0.04 2.09 2.23 1nhxA1 GLU 390 HB3 0.02 -0.02 0.11 -0.04 1.99 2.06 1nhxA1 GLU 390 HG2 0.00 -0.01 -0.00 -0.04 2.34 2.29 1nhxA1 GLU 390 HG3 0.01 -0.00 -0.12 -0.04 2.34 2.19 1nhxA1 TRP 391 H 0.21 0.51 0.39 -0.55 7.97 8.54 1nhxA1 TRP 391 HA 0.01 0.18 1.00 -0.75 4.62 5.05 1nhxA1 TRP 391 HB2 0.03 0.01 -0.11 -0.04 3.23 3.12 1nhxA1 TRP 391 HB3 0.02 -0.02 -0.06 -0.04 3.23 3.13 1nhxA1 TRP 391 HD1 0.06 0.04 -0.10 -0.04 7.22 7.18 1nhxA1 TRP 391 HE1 0.09 0.61 -0.17 -0.04 10.20 10.69 1nhxA1 TRP 391 HE3 0.00 0.01 -0.33 -0.04 7.59 7.23 1nhxA1 TRP 391 HZ2 0.08 0.06 -0.04 -0.04 7.44 7.51 1nhxA1 TRP 391 HZ3 0.06 -0.01 -0.15 -0.04 7.13 6.99 1nhxA1 TRP 391 HH2 0.09 -0.01 -0.09 -0.04 7.19 7.14 1nhxA1 SER 392 H -0.94 0.29 0.23 -0.55 8.46 7.49 1nhxA1 SER 392 HA -0.47 0.17 0.67 -0.75 4.49 4.10 1nhxA1 SER 392 HB2 -0.21 0.10 0.12 -0.04 3.95 3.92 1nhxA1 SER 392 HB3 -0.27 0.07 -0.09 -0.04 3.93 3.61 1nhxA1 SER 393 H -0.45 0.21 0.15 -0.55 8.46 7.82 1nhxA1 SER 393 HA -0.72 0.13 0.41 -0.75 4.49 3.55 1nhxA1 SER 393 HB2 -0.04 0.06 0.08 -0.04 3.95 4.01 1nhxA1 SER 393 HB3 0.04 0.01 0.10 -0.04 3.93 4.04 1nhxA1 GLU 394 H -0.33 0.03 -0.36 -0.55 8.60 7.39 1nhxA1 GLU 394 HA -0.11 0.19 0.60 -0.75 4.29 4.22 1nhxA1 GLU 394 HB2 -0.14 0.02 -0.03 -0.04 2.09 1.90 1nhxA1 GLU 394 HB3 -0.09 0.06 0.10 -0.04 1.99 2.02 1nhxA1 GLU 394 HG2 -0.08 0.05 -0.04 -0.04 2.34 2.23 1nhxA1 GLU 394 HG3 -0.14 -0.15 -0.01 -0.04 2.34 1.99 1nhxA1 ASP 395 H -0.41 0.30 -0.33 -0.55 8.40 7.41 1nhxA1 ASP 395 HA -0.12 0.08 0.28 -0.75 4.63 4.12 1nhxA1 ASP 395 HB2 -0.39 0.11 0.12 -0.04 2.71 2.52 1nhxA1 ASP 395 HB3 -0.08 0.04 0.04 -0.04 2.70 2.67 1nhxA1 GLY 396 H -0.05 0.12 -0.35 -0.55 8.43 7.60 1nhxA1 GLY 396 HA2 0.04 -0.00 0.22 -0.51 4.01 3.77 1nhxA1 GLY 396 HA3 0.02 0.12 0.41 -0.51 4.01 4.05 1nhxA1 GLU 397 H 0.19 0.12 -0.23 -0.55 8.60 8.12 1nhxA1 GLU 397 HA 0.18 0.16 0.47 -0.75 4.29 4.34 1nhxA1 GLU 397 HB2 0.21 0.03 0.08 -0.04 2.09 2.37 1nhxA1 GLU 397 HB3 0.15 0.08 -0.14 -0.04 1.99 2.03 1nhxA1 GLU 397 HG2 0.26 -0.10 -0.14 -0.04 2.34 2.32 1nhxA1 GLU 397 HG3 0.38 0.13 -0.30 -0.04 2.34 2.51 1nhxA1 PRO 398 HA 0.27 -0.03 0.45 -0.51 4.44 4.61 1nhxA1 PRO 398 HB2 0.01 0.24 0.07 -0.04 2.28 2.57 1nhxA1 PRO 398 HB3 0.06 -0.02 0.13 -0.04 2.02 2.15 1nhxA1 PRO 398 HG2 0.13 0.04 0.02 -0.04 2.03 2.19 1nhxA1 PRO 398 HG3 0.01 0.05 0.10 -0.04 2.03 2.15 1nhxA1 PRO 398 HD2 0.19 0.13 0.19 -0.04 3.68 4.14 1nhxA1 PRO 398 HD3 0.13 0.15 0.12 -0.04 3.65 4.01 1nhxA1 CYS 399 H -0.48 0.05 0.13 -0.55 8.50 7.65 1nhxA1 CYS 399 HA -0.80 0.13 0.54 -0.75 4.58 3.70 1nhxA1 CYS 399 HB2 -0.84 0.02 -0.07 -0.04 2.97 2.04 1nhxA1 CYS 399 HB3 -3.28 0.02 -0.03 -0.04 2.97 -0.36 1nhxA1 ALA 400 H -0.10 0.00 -0.07 -0.55 8.40 7.69 1nhxA1 ALA 400 HA 0.02 0.25 0.90 -0.75 4.34 4.76 1nhxA1 ALA 400 HB3 0.04 -0.00 0.18 -0.04 1.41 1.59 1nhxA1 HIS 401 H -0.85 0.52 0.28 -0.55 8.41 7.82 1nhxA1 HIS 401 HA -0.73 0.12 0.51 -0.75 4.63 3.76 1nhxA1 HIS 401 HB2 -2.62 0.05 0.17 -0.04 3.26 0.82 1nhxA1 HIS 401 HB3 -0.83 -0.02 0.13 -0.04 3.20 2.44 1nhxA1 HIS 401 HD2 -0.55 0.02 0.03 -0.04 6.97 6.42 1nhxA1 HIS 401 HE1 -0.23 0.04 -0.03 -0.04 7.75 7.48 1nhxA1 PRO 402 HA -0.21 0.06 0.47 -0.51 4.44 4.25 1nhxA1 PRO 402 HB2 -0.31 0.03 0.06 -0.04 2.28 2.02 1nhxA1 PRO 402 HB3 -0.18 0.03 0.12 -0.04 2.02 1.95 1nhxA1 PRO 402 HG2 -0.30 0.06 0.11 -0.04 2.03 1.86 1nhxA1 PRO 402 HG3 -0.21 0.03 0.14 -0.04 2.03 1.94 1nhxA1 PRO 402 HD2 -1.62 0.10 0.23 -0.04 3.68 2.35 1nhxA1 PRO 402 HD3 -0.55 0.16 0.29 -0.04 3.65 3.50 1nhxA1 ASN 403 H -0.02 0.07 -0.29 -0.55 8.53 7.75 1nhxA1 ASN 403 HA -0.08 0.18 0.80 -0.75 4.76 4.90 1nhxA1 ASN 403 HB2 0.02 -0.07 0.03 -0.04 2.88 2.83 1nhxA1 ASN 403 HB3 0.01 0.17 0.08 -0.04 2.79 3.01 1nhxA1 ASN 403 HD21 0.15 -0.21 0.12 -0.04 7.03 7.05 1nhxA1 ASN 403 HD22 -0.24 0.51 0.34 -0.04 7.74 8.31 1nhxA1 SER 404 H -0.13 0.40 -0.35 -0.55 8.46 7.83 1nhxA1 SER 404 HA -0.05 0.10 0.49 -0.75 4.49 4.28 1nhxA1 SER 404 HB2 -0.04 0.08 -0.06 -0.04 3.95 3.89 1nhxA1 SER 404 HB3 -0.19 -0.03 0.12 -0.04 3.93 3.79 1nhxA1 ARG 405 H -0.08 0.46 0.38 -0.55 8.46 8.67 1nhxA1 ARG 405 HA -0.50 0.30 1.07 -0.75 4.34 4.46 1nhxA1 ARG 405 HB2 -0.35 -0.12 0.01 -0.04 1.90 1.41 1nhxA1 ARG 405 HB3 -0.96 0.10 -0.13 -0.04 1.80 0.77 1nhxA1 ARG 405 HG2 -0.23 0.20 -0.32 -0.04 1.67 1.28 1nhxA1 ARG 405 HG3 -0.62 -0.15 -0.12 -0.04 1.67 0.74 1nhxA1 ARG 405 HD2 -1.47 -0.03 -0.40 -0.04 3.22 1.27 1nhxA1 ARG 405 HD3 -0.62 0.11 -0.50 -0.04 3.22 2.17 1nhxA1 PHE 406 H -0.91 0.54 0.24 -0.55 8.34 7.66 1nhxA1 PHE 406 HA -0.39 0.21 0.76 -0.75 4.62 4.45 1nhxA1 PHE 406 HB2 -0.48 0.05 -0.07 -0.04 3.15 2.61 1nhxA1 PHE 406 HB3 -0.23 -0.02 0.02 -0.04 3.06 2.79 1nhxA1 PHE 406 HD2 -0.23 0.01 -0.25 -0.04 7.28 6.77 1nhxA1 PHE 406 HE2 -0.15 0.06 -0.20 -0.04 7.38 7.05 1nhxA1 PHE 406 HZ -0.14 -0.04 -0.15 -0.04 7.32 6.95 1nhxA1 CYS 407 H -0.16 0.56 0.18 -0.55 8.50 8.53 1nhxA1 CYS 407 HA 0.07 0.23 1.01 -0.75 4.58 5.13 1nhxA1 CYS 407 HB2 0.17 -0.06 -0.08 -0.04 2.97 2.96 1nhxA1 CYS 407 HB3 -0.00 0.04 0.22 -0.04 2.97 3.19 1nhxA1 THR 408 H 0.09 0.44 0.21 -0.55 8.28 8.47 1nhxA1 THR 408 HA -0.02 0.30 0.95 -0.75 4.39 4.87 1nhxA1 THR 408 HB 0.03 -0.12 -0.40 -0.04 4.32 3.79 1nhxA1 THR 408 HG23 0.26 0.01 -0.16 -0.04 1.22 1.29 1nhxA1 PRO 409 HA -0.13 0.21 0.68 -0.51 4.44 4.69 1nhxA1 PRO 409 HB2 -0.05 -0.08 0.10 -0.04 2.28 2.20 1nhxA1 PRO 409 HB3 -0.03 0.05 0.18 -0.04 2.02 2.17 1nhxA1 PRO 409 HG2 -0.00 0.05 0.16 -0.04 2.03 2.19 1nhxA1 PRO 409 HG3 -0.02 0.03 0.17 -0.04 2.03 2.17 1nhxA1 PRO 409 HD2 -0.02 0.19 0.22 -0.04 3.68 4.03 1nhxA1 PRO 409 HD3 -0.02 0.28 0.38 -0.04 3.65 4.25 1nhxA1 ALA 410 H -0.37 0.69 0.44 -0.55 8.40 8.62 1nhxA1 ALA 410 HA -0.84 0.04 0.42 -0.75 4.34 3.21 1nhxA1 ALA 410 HB3 -1.18 0.01 -0.11 -0.04 1.41 0.09 1nhxA1 SER 411 H -0.19 0.15 -0.05 -0.55 8.46 7.82 1nhxA1 SER 411 HA -0.15 0.10 0.35 -0.75 4.49 4.03 1nhxA1 SER 411 HB2 0.12 0.01 0.07 -0.04 3.95 4.10 1nhxA1 SER 411 HB3 0.23 0.01 0.10 -0.04 3.93 4.24 1nhxA1 GLN 412 H -0.10 0.20 -0.74 -0.55 8.47 7.28 1nhxA1 GLN 412 HA -0.01 0.09 0.54 -0.75 4.36 4.22 1nhxA1 GLN 412 HB2 -0.03 0.21 0.06 -0.04 2.15 2.35 1nhxA1 GLN 412 HB3 -0.01 0.06 0.12 -0.04 2.02 2.15 1nhxA1 GLN 412 HG2 0.00 -0.05 -0.02 -0.04 2.40 2.29 1nhxA1 GLN 412 HG3 -0.01 -0.14 -0.08 -0.04 2.39 2.12 1nhxA1 GLN 412 HE21 -0.00 0.53 0.15 -0.04 6.97 7.60 1nhxA1 GLN 412 HE22 -0.01 0.20 0.17 -0.04 7.69 8.01 1nhxA1 CYS 413 H -0.05 0.47 -0.20 -0.55 8.50 8.17 1nhxA1 CYS 413 HA 0.00 0.09 0.53 -0.75 4.58 4.45 1nhxA1 CYS 413 HB2 0.25 0.01 0.08 -0.04 2.97 3.27 1nhxA1 CYS 413 HB3 -0.02 0.05 0.12 -0.04 2.97 3.09 1nhxA1 PRO 414 HA -0.00 0.11 0.36 -0.51 4.44 4.40 1nhxA1 PRO 414 HB2 -0.01 0.01 -0.04 -0.04 2.28 2.20 1nhxA1 PRO 414 HB3 -0.01 0.02 0.11 -0.04 2.02 2.10 1nhxA1 PRO 414 HG2 -0.03 -0.06 0.10 -0.04 2.03 2.00 1nhxA1 PRO 414 HG3 -0.02 0.01 0.11 -0.04 2.03 2.09 1nhxA1 PRO 414 HD2 -0.03 0.07 0.28 -0.04 3.68 3.96 1nhxA1 PRO 414 HD3 -0.02 0.29 0.20 -0.04 3.65 4.08 1nhxA1 ILE 415 H -0.02 0.03 -0.38 -0.55 8.25 7.33 1nhxA1 ILE 415 HA 0.01 0.25 0.86 -0.75 4.18 4.55 1nhxA1 ILE 415 HB 0.01 0.08 0.31 -0.04 1.89 2.25 1nhxA1 ILE 415 HG12 -0.03 -0.08 -0.03 -0.04 1.49 1.31 1nhxA1 ILE 415 HG13 -0.03 -0.05 -0.14 -0.04 1.21 0.95 1nhxA1 ILE 415 HG23 0.00 -0.01 -0.05 -0.04 0.93 0.83 1nhxA1 ILE 415 HD13 -0.01 -0.01 -0.13 -0.04 0.88 0.68 1nhxA1 ILE 416 H -0.03 0.60 -0.30 -0.55 8.25 7.96 1nhxA1 ILE 416 HA -0.06 0.04 0.58 -0.75 4.18 3.98 1nhxA1 ILE 416 HB -0.20 0.06 0.14 -0.04 1.89 1.86 1nhxA1 ILE 416 HG12 -1.36 -0.09 -0.15 -0.04 1.49 -0.15 1nhxA1 ILE 416 HG13 -0.69 0.05 -0.02 -0.04 1.21 0.51 1nhxA1 ILE 416 HG23 -0.04 0.01 -0.05 -0.04 0.93 0.81 1nhxA1 ILE 416 HD13 -0.61 0.03 -0.03 -0.04 0.88 0.24 1nhxA1 ASP 417 H 0.10 0.81 0.32 -0.55 8.40 9.09 1nhxA1 ASP 417 HA 0.14 0.05 0.31 -0.75 4.63 4.37 1nhxA1 ASP 417 HB2 0.22 0.03 -0.32 -0.04 2.71 2.60 1nhxA1 ASP 417 HB3 0.31 -0.01 -0.07 -0.04 2.70 2.89 1nhxA1 ALA 418 H 0.16 0.14 0.13 -0.55 8.40 8.28 1nhxA1 ALA 418 HA 0.18 0.16 0.45 -0.75 4.34 4.37 1nhxA1 ALA 418 HB3 0.10 0.01 0.07 -0.04 1.41 1.54 1nhxA1 ALA 419 H 0.20 0.06 -0.28 -0.55 8.40 7.83 1nhxA1 ALA 419 HA 0.02 0.21 0.88 -0.75 4.34 4.69 1nhxA1 ALA 419 HB3 0.04 0.02 0.02 -0.04 1.41 1.44 1nhxA1 TRP 420 H 0.35 0.49 -0.48 -0.55 7.97 7.78 1nhxA1 TRP 420 HA 0.00 0.03 0.30 -0.75 4.62 4.20 1nhxA1 TRP 420 HB2 0.04 0.12 0.27 -0.04 3.23 3.61 1nhxA1 TRP 420 HB3 0.06 0.05 0.19 -0.04 3.23 3.48 1nhxA1 TRP 420 HD1 0.03 0.27 -0.03 -0.04 7.22 7.44 1nhxA1 TRP 420 HE1 -0.00 -0.03 -0.07 -0.04 10.20 10.05 1nhxA1 TRP 420 HE3 -0.04 0.11 0.09 -0.04 7.59 7.71 1nhxA1 TRP 420 HZ2 -0.05 -0.06 -0.03 -0.04 7.44 7.26 1nhxA1 TRP 420 HZ3 -0.13 0.19 0.04 -0.04 7.13 7.20 1nhxA1 TRP 420 HH2 -0.11 0.02 0.05 -0.04 7.19 7.11 1nhxA1 GLU 421 H -0.44 0.05 -0.40 -0.55 8.60 7.26 1nhxA1 GLU 421 HA -0.62 0.29 0.93 -0.75 4.29 4.13 1nhxA1 GLU 421 HB2 -0.58 -0.01 -0.04 -0.04 2.09 1.42 1nhxA1 GLU 421 HB3 -0.54 -0.05 0.15 -0.04 1.99 1.51 1nhxA1 GLU 421 HG2 -2.17 0.14 -0.11 -0.04 2.34 0.16 1nhxA1 GLU 421 HG3 -2.72 -0.03 -0.17 -0.04 2.34 -0.61 1nhxA1 SER 422 H -0.17 0.30 -0.25 -0.55 8.46 7.79 1nhxA1 SER 422 HA -0.12 0.10 0.58 -0.75 4.49 4.29 1nhxA1 SER 422 HB2 -0.09 0.11 0.11 -0.04 3.95 4.04 1nhxA1 SER 422 HB3 -0.07 -0.06 0.06 -0.04 3.93 3.82 1nhxA1 PRO 423 HA -0.10 0.12 0.35 -0.51 4.44 4.30 1nhxA1 PRO 423 HB2 -0.06 0.02 0.03 -0.04 2.28 2.23 1nhxA1 PRO 423 HB3 -0.08 0.06 0.08 -0.04 2.02 2.04 1nhxA1 PRO 423 HG2 -0.06 -0.01 0.08 -0.04 2.03 2.00 1nhxA1 PRO 423 HG3 -0.06 0.06 0.07 -0.04 2.03 2.05 1nhxA1 PRO 423 HD2 -0.08 0.02 0.25 -0.04 3.68 3.83 1nhxA1 PRO 423 HD3 -0.10 0.25 0.27 -0.04 3.65 4.02 1nhxA1 GLU 424 H -0.07 0.04 -0.29 -0.55 8.60 7.74 1nhxA1 GLU 424 HA -0.05 0.11 0.54 -0.75 4.29 4.14 1nhxA1 GLU 424 HB2 -0.03 -0.01 0.09 -0.04 2.09 2.10 1nhxA1 GLU 424 HB3 -0.04 -0.07 0.04 -0.04 1.99 1.89 1nhxA1 GLU 424 HG2 -0.06 0.25 -0.16 -0.04 2.34 2.33 1nhxA1 GLU 424 HG3 -0.04 -0.04 -0.03 -0.04 2.34 2.19 1nhxA1 GLY 425 H -0.08 0.24 -0.43 -0.55 8.43 7.61 1nhxA1 GLY 425 HA2 -0.09 0.14 0.30 -0.51 4.01 3.85 1nhxA1 GLY 425 HA3 -0.06 0.05 0.15 -0.51 4.01 3.64 1nhxA1 VAL 426 H -0.13 0.57 0.31 -0.55 8.24 8.43 1nhxA1 VAL 426 HA -0.28 0.20 0.89 -0.75 4.13 4.18 1nhxA1 VAL 426 HB -1.60 0.00 -0.04 -0.04 2.12 0.45 1nhxA1 VAL 426 HG13 -0.46 -0.01 -0.17 -0.04 0.97 0.30 1nhxA1 VAL 426 HG23 -0.26 0.03 -0.05 -0.04 0.95 0.62 1nhxA1 PRO 427 HA 0.01 0.29 0.49 -0.51 4.44 4.72 1nhxA1 PRO 427 HB2 -0.03 0.05 -0.04 -0.04 2.28 2.21 1nhxA1 PRO 427 HB3 -0.06 -0.00 -0.02 -0.04 2.02 1.89 1nhxA1 PRO 427 HG2 0.08 -0.01 0.14 -0.04 2.03 2.20 1nhxA1 PRO 427 HG3 -0.04 0.02 0.07 -0.04 2.03 2.04 1nhxA1 PRO 427 HD2 -0.09 0.03 0.17 -0.04 3.68 3.75 1nhxA1 PRO 427 HD3 -0.09 0.20 0.20 -0.04 3.65 3.92 1nhxA1 ILE 428 H 0.06 0.81 0.38 -0.55 8.25 8.95 1nhxA1 ILE 428 HA 0.14 0.09 0.48 -0.75 4.18 4.14 1nhxA1 ILE 428 HB 0.07 0.01 0.12 -0.04 1.89 2.05 1nhxA1 ILE 428 HG12 0.04 0.15 0.02 -0.04 1.49 1.66 1nhxA1 ILE 428 HG13 0.08 -0.05 -0.14 -0.04 1.21 1.06 1nhxA1 ILE 428 HG23 0.12 -0.04 -0.17 -0.04 0.93 0.80 1nhxA1 ILE 428 HD13 0.11 -0.02 -0.32 -0.04 0.88 0.61 1nhxA1 GLU 429 H 0.13 0.60 0.45 -0.55 8.60 9.23 1nhxA1 GLU 429 HA 0.11 0.22 0.94 -0.75 4.29 4.80 1nhxA1 GLU 429 HB2 0.05 0.02 0.19 -0.04 2.09 2.31 1nhxA1 GLU 429 HB3 0.03 -0.03 0.11 -0.04 1.99 2.07 1nhxA1 GLU 429 HG2 0.07 0.04 -0.01 -0.04 2.34 2.39 1nhxA1 GLU 429 HG3 0.07 0.05 -0.15 -0.04 2.34 2.27 1nhxA1 GLY 430 H 0.13 0.20 0.25 -0.55 8.43 8.47 1nhxA1 GLY 430 HA2 0.18 0.28 0.83 -0.51 4.01 4.79 1nhxA1 GLY 430 HA3 0.23 -0.02 0.28 -0.51 4.01 3.99 1nhxA1 ILE 431 H 0.12 0.74 0.26 -0.55 8.25 8.82 1nhxA1 ILE 431 HA -0.00 0.28 1.00 -0.75 4.18 4.71 1nhxA1 ILE 431 HB 0.03 -0.01 0.05 -0.04 1.89 1.92 1nhxA1 ILE 431 HG12 0.15 0.01 -0.08 -0.04 1.49 1.53 1nhxA1 ILE 431 HG13 0.16 -0.07 -0.40 -0.04 1.21 0.85 1nhxA1 ILE 431 HG23 -0.43 -0.01 -0.20 -0.04 0.93 0.25 1nhxA1 ILE 431 HD13 0.44 0.01 -0.12 -0.04 0.88 1.17 1nhxA1 ILE 432 H -0.16 0.70 0.36 -0.55 8.25 8.60 1nhxA1 ILE 432 HA -0.04 0.16 0.97 -0.75 4.18 4.52 1nhxA1 ILE 432 HB -0.10 -0.06 0.09 -0.04 1.89 1.78 1nhxA1 ILE 432 HG12 0.12 -0.01 -0.23 -0.04 1.49 1.33 1nhxA1 ILE 432 HG13 0.08 -0.00 -0.35 -0.04 1.21 0.90 1nhxA1 ILE 432 HG23 0.07 -0.00 -0.24 -0.04 0.93 0.72 1nhxA1 ILE 432 HD13 0.11 -0.01 -0.22 -0.04 0.88 0.71 1nhxA1 PHE 433 H -0.14 0.73 0.39 -0.55 8.34 8.77 1nhxA1 PHE 433 HA -0.19 0.26 0.99 -0.75 4.62 4.93 1nhxA1 PHE 433 HB2 -0.10 0.02 0.13 -0.04 3.15 3.15 1nhxA1 PHE 433 HB3 -0.14 0.01 0.13 -0.04 3.06 3.02 1nhxA1 PHE 433 HD2 -0.20 0.07 0.02 -0.04 7.28 7.13 1nhxA1 PHE 433 HE2 -0.24 0.05 -0.03 -0.04 7.38 7.12 1nhxA1 PHE 433 HZ -0.61 0.00 -0.05 -0.04 7.32 6.63 1nhxA1 GLY 434 H 0.11 0.44 0.36 -0.55 8.43 8.79 1nhxA1 GLY 434 HA2 -0.65 0.20 0.90 -0.51 4.01 3.95 1nhxA1 GLY 434 HA3 0.06 -0.03 0.28 -0.51 4.01 3.81 1nhxA1 GLY 435 H -0.26 0.50 0.40 -0.55 8.43 8.53 1nhxA1 GLY 435 HA2 -0.05 0.10 0.56 -0.51 4.01 4.11 1nhxA1 GLY 435 HA3 -0.01 0.18 0.41 -0.51 4.01 4.09 1nhxA1 ARG 436 H -0.08 0.17 0.21 -0.55 8.46 8.21 1nhxA1 ARG 436 HA 0.10 0.06 0.89 -0.75 4.34 4.63 1nhxA1 ARG 436 HB2 -0.44 0.09 0.06 -0.04 1.90 1.57 1nhxA1 ARG 436 HB3 -0.20 -0.04 0.30 -0.04 1.80 1.83 1nhxA1 ARG 436 HG2 -0.14 -0.04 -0.09 -0.04 1.67 1.36 1nhxA1 ARG 436 HG3 -1.12 -0.02 0.05 -0.04 1.67 0.54 1nhxA1 ARG 436 HD2 -0.25 0.18 0.10 -0.04 3.22 3.22 1nhxA1 ARG 436 HD3 -0.19 -0.05 0.01 -0.04 3.22 2.94 1nhxA1 ARG 437 H 0.12 0.17 -0.06 -0.55 8.46 8.13 1nhxA1 ARG 437 HA 0.01 0.17 0.90 -0.75 4.34 4.66 1nhxA1 ARG 437 HB2 0.03 0.02 0.04 -0.04 1.90 1.95 1nhxA1 ARG 437 HB3 -0.00 0.12 0.01 -0.04 1.80 1.89 1nhxA1 ARG 437 HG2 0.04 -0.09 -0.42 -0.04 1.67 1.15 1nhxA1 ARG 437 HG3 0.04 0.02 -0.11 -0.04 1.67 1.58 1nhxA1 ARG 437 HD2 -0.03 0.13 -0.05 -0.04 3.22 3.23 1nhxA1 ARG 437 HD3 -0.05 0.15 -0.26 -0.04 3.22 3.02 1nhxA1 PRO 438 HA 0.06 0.26 0.47 -0.51 4.44 4.71 1nhxA1 PRO 438 HB2 -0.02 0.00 -0.01 -0.04 2.28 2.22 1nhxA1 PRO 438 HB3 0.00 0.07 0.08 -0.04 2.02 2.12 1nhxA1 PRO 438 HG2 0.00 -0.03 0.06 -0.04 2.03 2.02 1nhxA1 PRO 438 HG3 -0.01 0.07 0.02 -0.04 2.03 2.07 1nhxA1 PRO 438 HD2 -0.00 0.11 0.20 -0.04 3.68 3.95 1nhxA1 PRO 438 HD3 0.01 0.16 -0.01 -0.04 3.65 3.76 1nhxA1 ALA 439 H -0.03 0.15 -0.18 -0.55 8.40 7.79 1nhxA1 ALA 439 HA -0.13 0.21 0.91 -0.75 4.34 4.57 1nhxA1 ALA 439 HB3 -0.03 -0.00 -0.04 -0.04 1.41 1.30 1nhxA1 GLY 440 H -0.35 0.19 0.05 -0.55 8.43 7.77 1nhxA1 GLY 440 HA2 -0.76 -0.05 0.32 -0.51 4.01 3.00 1nhxA1 GLY 440 HA3 -2.79 0.02 -0.04 -0.51 4.01 0.69 1nhxA1 VAL 441 H -0.24 0.27 -0.30 -0.55 8.24 7.42 1nhxA1 VAL 441 HA 0.31 0.14 0.70 -0.75 4.13 4.52 1nhxA1 VAL 441 HB 0.04 -0.03 0.04 -0.04 2.12 2.12 1nhxA1 VAL 441 HG13 0.32 0.06 -0.21 -0.04 0.97 1.09 1nhxA1 VAL 441 HG23 0.00 0.00 -0.10 -0.04 0.95 0.82 1nhxA1 PRO 442 HA -0.25 0.38 0.48 -0.51 4.44 4.54 1nhxA1 PRO 442 HB2 0.04 0.01 -0.15 -0.04 2.28 2.14 1nhxA1 PRO 442 HB3 -0.18 -0.03 0.13 -0.04 2.02 1.89 1nhxA1 PRO 442 HG2 -0.02 -0.02 -0.07 -0.04 2.03 1.88 1nhxA1 PRO 442 HG3 0.01 0.17 -0.21 -0.04 2.03 1.96 1nhxA1 PRO 442 HD2 0.15 0.03 0.05 -0.04 3.68 3.88 1nhxA1 PRO 442 HD3 0.24 0.27 0.26 -0.04 3.65 4.38 1nhxA1 LEU 443 H -0.86 0.17 0.12 -0.55 8.37 7.26 1nhxA1 LEU 443 HA -0.32 0.28 0.51 -0.75 4.35 4.06 1nhxA1 LEU 443 HB2 -0.71 -0.01 0.11 -0.04 1.64 0.99 1nhxA1 LEU 443 HB3 -1.09 -0.04 0.11 -0.04 1.64 0.58 1nhxA1 LEU 443 HG -0.46 0.01 -0.25 -0.04 1.64 0.90 1nhxA1 LEU 443 HD13 -0.58 0.00 0.01 -0.04 0.93 0.32 1nhxA1 LEU 443 HD23 -1.39 -0.02 -0.06 -0.04 0.89 -0.63 1nhxA1 VAL 444 H -0.18 0.17 -0.07 -0.55 8.24 7.61 1nhxA1 VAL 444 HA -0.03 0.38 0.79 -0.75 4.13 4.52 1nhxA1 VAL 444 HB -0.05 -0.01 -0.10 -0.04 2.12 1.92 1nhxA1 VAL 444 HG13 -0.15 -0.04 -0.06 -0.04 0.97 0.68 1nhxA1 VAL 444 HG23 0.23 0.01 -0.11 -0.04 0.95 1.04 1nhxA1 TYR 445 H 0.02 0.62 0.32 -0.55 8.29 8.70 1nhxA1 TYR 445 HA 0.24 0.26 0.38 -0.75 4.56 4.69 1nhxA1 TYR 445 HB2 0.13 -0.02 -0.10 -0.04 3.06 3.03 1nhxA1 TYR 445 HB3 0.09 0.02 -0.07 -0.04 2.98 2.98 1nhxA1 TYR 445 HD2 0.10 0.04 -0.34 -0.04 7.15 6.91 1nhxA1 TYR 445 HE2 -0.01 0.00 -0.16 -0.04 6.85 6.64 1nhxA1 GLU 446 H 0.55 0.52 0.28 -0.55 8.60 9.41 1nhxA1 GLU 446 HA 0.18 0.19 1.10 -0.75 4.29 5.00 1nhxA1 GLU 446 HB2 0.68 -0.03 -0.07 -0.04 2.09 2.63 1nhxA1 GLU 446 HB3 0.61 -0.12 0.12 -0.04 1.99 2.56 1nhxA1 GLU 446 HG2 0.10 0.24 -0.05 -0.04 2.34 2.60 1nhxA1 GLU 446 HG3 -0.59 0.01 0.01 -0.04 2.34 1.73 1nhxA1 ALA 447 H -0.00 0.72 0.31 -0.55 8.40 8.88 1nhxA1 ALA 447 HA 0.31 0.07 0.44 -0.75 4.34 4.41 1nhxA1 ALA 447 HB3 0.03 -0.03 0.08 -0.04 1.41 1.46 1nhxA1 LEU 448 H 0.78 0.07 0.16 -0.55 8.37 8.83 1nhxA1 LEU 448 HA 0.07 0.20 0.66 -0.75 4.35 4.52 1nhxA1 LEU 448 HB2 -0.15 -0.09 0.06 -0.04 1.64 1.42 1nhxA1 LEU 448 HB3 -0.10 0.01 0.05 -0.04 1.64 1.56 1nhxA1 LEU 448 HG -0.32 0.02 -0.03 -0.04 1.64 1.27 1nhxA1 LEU 448 HD13 -0.41 0.02 -0.08 -0.04 0.93 0.42 1nhxA1 LEU 448 HD23 -0.66 0.02 -0.07 -0.04 0.89 0.14 1nhxA1 SER 449 H 0.25 0.14 0.07 -0.55 8.46 8.37 1nhxA1 SER 449 HA 0.20 0.27 0.53 -0.75 4.49 4.73 1nhxA1 SER 449 HB2 0.18 -0.00 0.16 -0.04 3.95 4.25 1nhxA1 SER 449 HB3 0.13 0.23 -0.16 -0.04 3.93 4.08 1nhxA1 TRP 450 H 0.38 0.26 0.14 -0.55 7.97 8.21 1nhxA1 TRP 450 HA 0.15 0.18 0.57 -0.75 4.62 4.77 1nhxA1 TRP 450 HB2 0.11 0.12 0.12 -0.04 3.23 3.55 1nhxA1 TRP 450 HB3 0.11 -0.05 0.14 -0.04 3.23 3.39 1nhxA1 TRP 450 HD1 0.14 -0.03 -0.07 -0.04 7.22 7.21 1nhxA1 TRP 450 HE1 0.20 0.47 0.05 -0.04 10.20 10.88 1nhxA1 TRP 450 HE3 0.14 0.03 -0.03 -0.04 7.59 7.69 1nhxA1 TRP 450 HZ2 0.09 0.08 -0.01 -0.04 7.44 7.56 1nhxA1 TRP 450 HZ3 0.17 0.18 -0.07 -0.04 7.13 7.37 1nhxA1 TRP 450 HH2 0.14 0.01 -0.06 -0.04 7.19 7.24 1nhxA1 GLN 451 H 0.27 0.12 -0.06 -0.55 8.47 8.26 1nhxA1 GLN 451 HA 0.09 0.13 0.33 -0.75 4.36 4.15 1nhxA1 GLN 451 HB2 0.14 -0.04 0.05 -0.04 2.15 2.26 1nhxA1 GLN 451 HB3 0.11 0.06 -0.02 -0.04 2.02 2.12 1nhxA1 GLN 451 HG2 0.14 0.03 0.02 -0.04 2.40 2.55 1nhxA1 GLN 451 HG3 0.22 0.06 0.02 -0.04 2.39 2.66 1nhxA1 GLN 451 HE21 0.24 0.06 0.05 -0.04 6.97 7.29 1nhxA1 GLN 451 HE22 0.28 0.09 0.02 -0.04 7.69 8.05 1nhxA1 HIS 452 H 0.20 0.02 -0.26 -0.55 8.41 7.83 1nhxA1 HIS 452 HA 0.10 0.10 0.46 -0.75 4.63 4.53 1nhxA1 HIS 452 HB2 0.03 0.05 0.06 -0.04 3.26 3.37 1nhxA1 HIS 452 HB3 0.06 -0.18 0.14 -0.04 3.20 3.18 1nhxA1 HIS 452 HD2 0.13 -0.01 0.02 -0.04 6.97 7.07 1nhxA1 HIS 452 HE1 0.11 0.36 0.01 -0.04 7.75 8.19 1nhxA1 GLY 453 H 0.00 0.44 -0.31 -0.55 8.43 8.02 1nhxA1 GLY 453 HA2 -0.16 0.00 0.38 -0.51 4.01 3.72 1nhxA1 GLY 453 HA3 -0.17 0.13 0.32 -0.51 4.01 3.78 1nhxA1 VAL 454 H -0.29 0.56 -0.09 -0.55 8.24 7.87 1nhxA1 VAL 454 HA -0.21 0.06 0.48 -0.75 4.13 3.71 1nhxA1 VAL 454 HB -0.01 0.05 0.08 -0.04 2.12 2.20 1nhxA1 VAL 454 HG13 0.15 0.00 -0.06 -0.04 0.97 1.01 1nhxA1 VAL 454 HG23 -0.24 0.08 -0.09 -0.04 0.95 0.66 1nhxA1 PHE 455 H 0.09 0.46 -0.17 -0.55 8.34 8.17 1nhxA1 PHE 455 HA -0.04 -0.02 0.43 -0.75 4.62 4.25 1nhxA1 PHE 455 HB2 0.01 -0.07 0.09 -0.04 3.15 3.14 1nhxA1 PHE 455 HB3 -0.02 0.12 0.18 -0.04 3.06 3.30 1nhxA1 PHE 455 HD2 0.03 0.02 -0.07 -0.04 7.28 7.21 1nhxA1 PHE 455 HE2 0.11 0.00 -0.11 -0.04 7.38 7.34 1nhxA1 PHE 455 HZ 0.11 -0.01 -0.08 -0.04 7.32 7.30 1nhxA1 VAL 456 H -0.23 0.53 -0.17 -0.55 8.24 7.81 1nhxA1 VAL 456 HA -0.46 0.01 0.34 -0.75 4.13 3.28 1nhxA1 VAL 456 HB -0.19 0.13 0.11 -0.04 2.12 2.12 1nhxA1 VAL 456 HG13 -0.04 -0.01 -0.22 -0.04 0.97 0.65 1nhxA1 VAL 456 HG23 -0.22 0.02 -0.06 -0.04 0.95 0.65 1nhxA1 GLY 457 H -0.78 0.49 -0.18 -0.55 8.43 7.41 1nhxA1 GLY 457 HA2 -1.89 0.01 0.51 -0.51 4.01 2.12 1nhxA1 GLY 457 HA3 -2.67 0.07 0.33 -0.51 4.01 1.23 1nhxA1 ALA 458 H -0.48 0.51 -0.16 -0.55 8.40 7.72 1nhxA1 ALA 458 HA 0.33 -0.04 0.41 -0.75 4.34 4.29 1nhxA1 ALA 458 HB3 0.14 0.00 0.09 -0.04 1.41 1.60 1nhxA1 ALA 459 H -0.46 0.39 -0.42 -0.55 8.40 7.36 1nhxA1 ALA 459 HA -0.06 0.07 0.42 -0.75 4.34 4.01 1nhxA1 ALA 459 HB3 -0.52 -0.02 0.02 -0.04 1.41 0.85 1nhxA1 MET 460 H -0.25 0.23 -0.40 -0.55 8.47 7.51 1nhxA1 MET 460 HA -0.08 -0.00 0.27 -0.75 4.52 3.95 1nhxA1 MET 460 HB2 -0.16 -0.05 0.05 -0.04 2.15 1.95 1nhxA1 MET 460 HB3 -0.06 0.04 -0.02 -0.04 2.03 1.95 1nhxA1 MET 460 HG2 0.04 -0.01 0.02 -0.04 2.63 2.63 1nhxA1 MET 460 HG3 -0.33 0.19 0.18 -0.04 2.56 2.56 1nhxA1 MET 460 HE3 0.04 0.10 0.08 -0.04 2.10 2.28 1nhxA1 ARG 461 H -0.11 0.22 0.23 -0.55 8.46 8.25 1nhxA1 ARG 461 HA -0.27 0.15 0.75 -0.75 4.34 4.21 1nhxA1 ARG 461 HB2 -0.25 -0.05 -0.07 -0.04 1.90 1.48 1nhxA1 ARG 461 HB3 -0.36 -0.05 -0.15 -0.04 1.80 1.20 1nhxA1 ARG 461 HG2 -1.56 -0.06 -0.18 -0.04 1.67 -0.17 1nhxA1 ARG 461 HG3 -0.56 0.28 -0.35 -0.04 1.67 0.99 1nhxA1 ARG 461 HD2 -0.42 0.00 -0.11 -0.04 3.22 2.65 1nhxA1 ARG 461 HD3 -0.32 -0.03 -0.10 -0.04 3.22 2.73 1nhxA1 SER 462 H -0.15 0.61 0.29 -0.55 8.46 8.67 1nhxA1 SER 462 HA -0.07 0.15 0.83 -0.75 4.49 4.64 1nhxA1 SER 462 HB2 -0.05 0.06 -0.23 -0.04 3.95 3.69 1nhxA1 SER 462 HB3 -0.07 0.01 -0.04 -0.04 3.93 3.79 1nhxA1 GLU 463 H -0.08 0.57 0.35 -0.55 8.60 8.89 1nhxA1 GLU 463 HA -0.07 0.17 0.67 -0.75 4.29 4.31 1nhxA1 GLU 463 HB2 -0.05 -0.01 0.12 -0.04 2.09 2.12 1nhxA1 GLU 463 HB3 -0.09 -0.05 0.17 -0.04 1.99 1.97 1nhxA1 GLU 463 HG2 -0.05 0.19 -0.12 -0.04 2.34 2.31 1nhxA1 GLU 463 HG3 -0.04 -0.05 -0.18 -0.04 2.34 2.03 1nhxA1 ALA 464 H -0.06 0.61 0.32 -0.55 8.40 8.72 1nhxA1 ALA 464 HA -0.06 0.13 0.46 -0.75 4.34 4.11 1nhxA1 ALA 464 HB3 -0.04 -0.00 0.13 -0.04 1.41 1.46 1nhxA1 LYS 473 HA -0.02 -0.03 0.24 -0.75 4.32 3.75 1nhxA1 LYS 473 HB2 -0.02 -0.04 0.17 -0.04 1.87 1.94 1nhxA1 LYS 473 HB3 -0.01 -0.01 0.12 -0.04 1.79 1.84 1nhxA1 LYS 473 HG2 -0.01 0.01 0.00 -0.04 1.46 1.42 1nhxA1 LYS 473 HG3 -0.01 -0.03 0.01 -0.04 1.46 1.39 1nhxA1 LYS 473 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.66 1nhxA1 LYS 473 HD3 -0.01 0.01 0.03 -0.04 1.68 1.67 1nhxA1 LYS 473 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 1nhxA1 LYS 473 HE3 -0.00 -0.01 0.01 -0.04 2.99 2.94 1nhxA1 ILE 474 H -0.03 0.35 -0.56 -0.55 8.25 7.46 1nhxA1 ILE 474 HA -0.03 0.12 0.81 -0.75 4.18 4.32 1nhxA1 ILE 474 HB -0.03 -0.02 0.08 -0.04 1.89 1.88 1nhxA1 ILE 474 HG12 -0.02 0.04 -0.08 -0.04 1.49 1.39 1nhxA1 ILE 474 HG13 -0.01 -0.03 -0.03 -0.04 1.21 1.09 1nhxA1 ILE 474 HG23 -0.03 -0.01 -0.18 -0.04 0.93 0.67 1nhxA1 ILE 474 HD13 -0.02 0.06 -0.24 -0.04 0.88 0.65 1nhxA1 ILE 475 H -0.05 0.17 0.12 -0.55 8.25 7.94 1nhxA1 ILE 475 HA -0.08 0.25 0.89 -0.75 4.18 4.49 1nhxA1 ILE 475 HB -0.09 -0.03 0.08 -0.04 1.89 1.81 1nhxA1 ILE 475 HG12 -0.06 0.04 -0.14 -0.04 1.49 1.29 1nhxA1 ILE 475 HG13 -0.05 -0.03 -0.21 -0.04 1.21 0.89 1nhxA1 ILE 475 HG23 -0.15 -0.01 -0.27 -0.04 0.93 0.45 1nhxA1 ILE 475 HD13 -0.04 -0.01 -0.05 -0.04 0.88 0.74 1nhxA1 MET 476 H -0.10 0.65 0.28 -0.55 8.47 8.74 1nhxA1 MET 476 HA -0.08 0.15 0.96 -0.75 4.52 4.80 1nhxA1 MET 476 HB2 -0.06 0.02 0.04 -0.04 2.15 2.11 1nhxA1 MET 476 HB3 -0.04 0.12 0.01 -0.04 2.03 2.07 1nhxA1 MET 476 HG2 -0.01 0.02 0.01 -0.04 2.63 2.60 1nhxA1 MET 476 HG3 -0.03 -0.07 -0.36 -0.04 2.56 2.06 1nhxA1 MET 476 HE3 -0.03 -0.01 -0.02 -0.04 2.10 2.00 1nhxA1 HIS 477 H -0.05 0.11 0.19 -0.55 8.41 8.12 1nhxA1 HIS 477 HA -0.27 0.18 0.77 -0.75 4.63 4.56 1nhxA1 HIS 477 HB2 -0.80 -0.07 0.17 -0.04 3.26 2.53 1nhxA1 HIS 477 HB3 -0.73 0.08 0.01 -0.04 3.20 2.51 1nhxA1 HIS 477 HD2 -0.39 -0.05 0.05 -0.04 6.97 6.53 1nhxA1 HIS 477 HE1 -0.16 -0.03 -0.11 -0.04 7.75 7.42 1nhxA1 ASP 478 H -0.11 0.58 0.04 -0.55 8.40 8.37 1nhxA1 ASP 478 HA -0.04 0.13 0.61 -0.75 4.63 4.57 1nhxA1 ASP 478 HB2 -0.05 0.07 -0.18 -0.04 2.71 2.51 1nhxA1 ASP 478 HB3 -0.03 -0.01 0.10 -0.04 2.70 2.73 1nhxA1 PRO 479 HA -0.05 0.20 0.47 -0.51 4.44 4.56 1nhxA1 PRO 479 HB2 0.14 -0.02 0.01 -0.04 2.28 2.36 1nhxA1 PRO 479 HB3 0.15 0.30 0.21 -0.04 2.02 2.63 1nhxA1 PRO 479 HG2 -0.14 -0.03 0.08 -0.04 2.03 1.90 1nhxA1 PRO 479 HG3 -0.26 0.04 0.06 -0.04 2.03 1.83 1nhxA1 PRO 479 HD2 -0.00 0.10 0.05 -0.04 3.68 3.78 1nhxA1 PRO 479 HD3 0.05 0.16 -0.01 -0.04 3.65 3.80 1nhxA1 PHE 480 H -0.37 0.58 0.32 -0.55 8.34 8.32 1nhxA1 PHE 480 HA -0.18 0.03 0.37 -0.75 4.62 4.09 1nhxA1 PHE 480 HB2 0.08 0.10 -0.07 -0.04 3.15 3.22 1nhxA1 PHE 480 HB3 0.19 -0.01 0.16 -0.04 3.06 3.36 1nhxA1 PHE 480 HD2 -0.07 -0.02 -0.24 -0.04 7.28 6.91 1nhxA1 PHE 480 HE2 -1.14 -0.01 -0.08 -0.04 7.38 6.11 1nhxA1 PHE 480 HZ -0.57 -0.03 0.05 -0.04 7.32 6.74 1nhxA1 ALA 481 H 0.03 0.45 -0.33 -0.55 8.40 8.02 1nhxA1 ALA 481 HA 0.10 -0.01 0.13 -0.75 4.34 3.81 1nhxA1 ALA 481 HB3 0.18 0.06 -0.11 -0.04 1.41 1.50 1nhxA1 MET 482 H -0.06 0.65 -0.30 -0.55 8.47 8.21 1nhxA1 MET 482 HA 0.05 0.18 0.68 -0.75 4.52 4.68 1nhxA1 MET 482 HB2 -0.57 0.12 -0.00 -0.04 2.15 1.66 1nhxA1 MET 482 HB3 -1.10 -0.08 0.04 -0.04 2.03 0.84 1nhxA1 MET 482 HG2 0.21 0.19 -0.22 -0.04 2.63 2.77 1nhxA1 MET 482 HG3 0.18 -0.02 -0.02 -0.04 2.56 2.67 1nhxA1 MET 482 HE3 0.13 0.02 -0.03 -0.04 2.10 2.18 1nhxA1 ARG 483 H -0.24 0.07 -0.22 -0.55 8.46 7.51 1nhxA1 ARG 483 HA -0.28 0.06 0.28 -0.75 4.34 3.65 1nhxA1 ARG 483 HB2 -0.09 -0.11 0.12 -0.04 1.90 1.78 1nhxA1 ARG 483 HB3 -0.14 0.01 0.08 -0.04 1.80 1.70 1nhxA1 ARG 483 HG2 -0.02 0.14 0.13 -0.04 1.67 1.87 1nhxA1 ARG 483 HG3 0.04 -0.09 0.06 -0.04 1.67 1.64 1nhxA1 ARG 483 HD2 0.05 0.03 0.10 -0.04 3.22 3.35 1nhxA1 ARG 483 HD3 0.04 0.20 0.09 -0.04 3.22 3.52 1nhxA1 PRO 484 HA -0.33 0.14 0.56 -0.51 4.44 4.30 1nhxA1 PRO 484 HB2 -1.75 0.02 -0.12 -0.04 2.28 0.39 1nhxA1 PRO 484 HB3 -0.49 -0.05 0.05 -0.04 2.02 1.49 1nhxA1 PRO 484 HG2 -0.55 0.01 -0.04 -0.04 2.03 1.41 1nhxA1 PRO 484 HG3 -0.32 0.02 -0.03 -0.04 2.03 1.66 1nhxA1 PRO 484 HD2 -0.66 0.18 -0.26 -0.04 3.68 2.89 1nhxA1 PRO 484 HD3 -0.29 -0.02 -0.01 -0.04 3.65 3.29 1nhxA1 PHE 485 H -0.52 0.68 -0.45 -0.55 8.34 7.49 1nhxA1 PHE 485 HA -0.13 0.17 0.73 -0.75 4.62 4.64 1nhxA1 PHE 485 HB2 -0.28 0.05 -0.05 -0.04 3.15 2.83 1nhxA1 PHE 485 HB3 -0.12 -0.06 -0.03 -0.04 3.06 2.80 1nhxA1 PHE 485 HD2 -0.20 0.10 -0.09 -0.04 7.28 7.05 1nhxA1 PHE 485 HE2 -0.19 -0.01 -0.07 -0.04 7.38 7.07 1nhxA1 PHE 485 HZ -0.10 -0.08 -0.06 -0.04 7.32 7.04 1nhxA1 PHE 486 H -0.35 0.23 0.03 -0.55 8.34 7.70 1nhxA1 PHE 486 HA -0.13 -0.03 0.42 -0.75 4.62 4.12 1nhxA1 PHE 486 HB2 -0.16 0.17 0.23 -0.04 3.15 3.35 1nhxA1 PHE 486 HB3 -0.26 0.13 0.11 -0.04 3.06 3.00 1nhxA1 PHE 486 HD2 -0.49 0.13 0.11 -0.04 7.28 6.99 1nhxA1 PHE 486 HE2 -1.08 -0.04 -0.03 -0.04 7.38 6.18 1nhxA1 PHE 486 HZ -0.78 0.02 -0.10 -0.04 7.32 6.42 1nhxA1 GLY 487 H 0.18 0.11 0.25 -0.55 8.43 8.43 1nhxA1 GLY 487 HA2 0.07 0.03 0.53 -0.51 4.01 4.13 1nhxA1 GLY 487 HA3 0.19 0.25 0.49 -0.51 4.01 4.43 1nhxA1 TYR 488 H -0.01 0.21 -0.34 -0.55 8.29 7.60 1nhxA1 TYR 488 HA 0.04 0.09 0.70 -0.75 4.56 4.63 1nhxA1 TYR 488 HB2 0.00 0.08 0.19 -0.04 3.06 3.29 1nhxA1 TYR 488 HB3 0.01 0.06 -0.22 -0.04 2.98 2.78 1nhxA1 TYR 488 HD2 0.03 -0.08 -0.22 -0.04 7.15 6.84 1nhxA1 TYR 488 HE2 0.10 -0.01 -0.39 -0.04 6.85 6.51 1nhxA1 ASN 489 H 0.15 0.44 -0.04 -0.55 8.53 8.53 1nhxA1 ASN 489 HA -0.07 0.03 0.11 -0.75 4.76 4.07 1nhxA1 ASN 489 HB2 0.01 0.33 -0.13 -0.04 2.88 3.06 1nhxA1 ASN 489 HB3 0.08 -0.09 0.08 -0.04 2.79 2.83 1nhxA1 ASN 489 HD21 -0.06 -0.11 -0.05 -0.04 7.03 6.77 1nhxA1 ASN 489 HD22 -0.05 0.59 -0.10 -0.04 7.74 8.13 1nhxA1 PHE 490 H -0.16 0.22 0.23 -0.55 8.34 8.07 1nhxA1 PHE 490 HA -0.80 0.11 0.43 -0.75 4.62 3.61 1nhxA1 PHE 490 HB2 -1.18 0.17 0.19 -0.04 3.15 2.30 1nhxA1 PHE 490 HB3 -0.43 -0.04 0.14 -0.04 3.06 2.69 1nhxA1 PHE 490 HD2 -0.80 0.00 -0.00 -0.04 7.28 6.44 1nhxA1 PHE 490 HE2 -0.02 0.02 -0.05 -0.04 7.38 7.28 1nhxA1 PHE 490 HZ 0.19 -0.00 0.01 -0.04 7.32 7.48 1nhxA1 GLY 491 H -0.16 0.10 -0.17 -0.55 8.43 7.66 1nhxA1 GLY 491 HA2 -0.33 0.04 0.45 -0.51 4.01 3.66 1nhxA1 GLY 491 HA3 -0.14 0.11 0.24 -0.51 4.01 3.70 1nhxA1 LYS 492 H -0.03 0.14 -0.24 -0.55 8.42 7.74 1nhxA1 LYS 492 HA 0.06 0.02 0.50 -0.75 4.32 4.15 1nhxA1 LYS 492 HB2 0.30 0.20 0.05 -0.04 1.87 2.37 1nhxA1 LYS 492 HB3 0.18 0.02 0.02 -0.04 1.79 1.96 1nhxA1 LYS 492 HG2 0.03 -0.01 -0.00 -0.04 1.46 1.43 1nhxA1 LYS 492 HG3 0.03 -0.07 0.01 -0.04 1.46 1.40 1nhxA1 LYS 492 HD2 0.10 0.05 0.03 -0.04 1.69 1.82 1nhxA1 LYS 492 HD3 0.04 0.02 -0.00 -0.04 1.68 1.69 1nhxA1 LYS 492 HE2 -0.00 -0.02 -0.04 -0.04 2.99 2.89 1nhxA1 LYS 492 HE3 -0.00 0.04 -0.06 -0.04 2.99 2.92 1nhxA1 TYR 493 H -0.00 0.39 -0.24 -0.55 8.29 7.88 1nhxA1 TYR 493 HA 0.33 0.08 0.47 -0.75 4.56 4.69 1nhxA1 TYR 493 HB2 -0.59 0.05 -0.00 -0.04 3.06 2.48 1nhxA1 TYR 493 HB3 -0.30 0.09 0.19 -0.04 2.98 2.92 1nhxA1 TYR 493 HD2 -0.01 0.02 -0.10 -0.04 7.15 7.02 1nhxA1 TYR 493 HE2 -0.79 0.02 -0.06 -0.04 6.85 5.98 1nhxA1 LEU 494 H -0.16 0.58 -0.09 -0.55 8.37 8.15 1nhxA1 LEU 494 HA -0.07 0.04 0.50 -0.75 4.35 4.06 1nhxA1 LEU 494 HB2 -0.24 0.21 0.21 -0.04 1.64 1.78 1nhxA1 LEU 494 HB3 -0.09 -0.13 0.01 -0.04 1.64 1.38 1nhxA1 LEU 494 HG -1.11 0.18 0.07 -0.04 1.64 0.74 1nhxA1 LEU 494 HD13 -0.52 -0.03 -0.01 -0.04 0.93 0.34 1nhxA1 LEU 494 HD23 0.03 -0.02 -0.03 -0.04 0.89 0.83 1nhxA1 ALA 495 H 0.02 0.51 -0.11 -0.55 8.40 8.27 1nhxA1 ALA 495 HA 0.08 -0.08 0.53 -0.75 4.34 4.11 1nhxA1 ALA 495 HB3 0.06 0.05 0.12 -0.04 1.41 1.60 1nhxA1 HIS 496 H 0.21 0.43 -0.37 -0.55 8.41 8.13 1nhxA1 HIS 496 HA 0.04 0.03 0.41 -0.75 4.63 4.36 1nhxA1 HIS 496 HB2 0.07 0.04 0.13 -0.04 3.26 3.46 1nhxA1 HIS 496 HB3 0.05 0.13 0.19 -0.04 3.20 3.53 1nhxA1 HIS 496 HD2 -0.14 -0.06 -0.05 -0.04 6.97 6.68 1nhxA1 HIS 496 HE1 -0.06 -0.06 -0.03 -0.04 7.75 7.56 1nhxA1 TRP 497 H 0.25 0.48 -0.10 -0.55 7.97 8.05 1nhxA1 TRP 497 HA 0.01 0.08 0.44 -0.75 4.62 4.40 1nhxA1 TRP 497 HB2 -0.13 0.07 0.20 -0.04 3.23 3.33 1nhxA1 TRP 497 HB3 0.06 -0.09 -0.04 -0.04 3.23 3.12 1nhxA1 TRP 497 HD1 -1.04 0.22 0.01 -0.04 7.22 6.37 1nhxA1 TRP 497 HE1 -0.43 0.01 -0.06 -0.04 10.20 9.69 1nhxA1 TRP 497 HE3 0.03 -0.05 -0.05 -0.04 7.59 7.48 1nhxA1 TRP 497 HZ2 0.34 -0.00 -0.09 -0.04 7.44 7.65 1nhxA1 TRP 497 HZ3 0.11 -0.01 -0.09 -0.04 7.13 7.10 1nhxA1 TRP 497 HH2 0.30 -0.01 -0.10 -0.04 7.19 7.34 1nhxA1 LEU 498 H 0.27 0.55 -0.20 -0.55 8.37 8.44 1nhxA1 LEU 498 HA 0.50 -0.03 0.39 -0.75 4.35 4.45 1nhxA1 LEU 498 HB2 0.16 0.14 0.17 -0.04 1.64 2.07 1nhxA1 LEU 498 HB3 0.19 -0.10 0.01 -0.04 1.64 1.70 1nhxA1 LEU 498 HG 0.18 0.19 0.05 -0.04 1.64 2.01 1nhxA1 LEU 498 HD13 0.08 -0.05 -0.08 -0.04 0.93 0.85 1nhxA1 LEU 498 HD23 0.16 -0.02 -0.03 -0.04 0.89 0.96 1nhxA1 SER 499 H 0.14 0.52 -0.28 -0.55 8.46 8.29 1nhxA1 SER 499 HA 0.09 -0.05 0.39 -0.75 4.49 4.15 1nhxA1 SER 499 HB2 0.06 -0.08 0.09 -0.04 3.95 3.98 1nhxA1 SER 499 HB3 0.09 0.06 0.12 -0.04 3.93 4.16 1nhxA1 MET 500 H 0.13 0.40 -0.55 -0.55 8.47 7.91 1nhxA1 MET 500 HA 0.03 0.09 0.49 -0.75 4.52 4.38 1nhxA1 MET 500 HB2 0.07 0.18 0.10 -0.04 2.15 2.46 1nhxA1 MET 500 HB3 -0.19 -0.06 -0.00 -0.04 2.03 1.74 1nhxA1 MET 500 HG2 -0.08 -0.01 -0.00 -0.04 2.63 2.50 1nhxA1 MET 500 HG3 -0.23 0.13 0.01 -0.04 2.56 2.43 1nhxA1 MET 500 HE3 -0.36 -0.02 -0.07 -0.04 2.10 1.61 1nhxA1 ALA 501 H -0.03 0.38 -0.23 -0.55 8.40 7.98 1nhxA1 ALA 501 HA -0.35 0.09 0.49 -0.75 4.34 3.81 1nhxA1 ALA 501 HB3 0.01 -0.01 0.11 -0.04 1.41 1.47 1nhxA1 GLN 502 H -0.02 0.35 -0.47 -0.55 8.47 7.78 1nhxA1 GLN 502 HA -0.06 0.14 0.83 -0.75 4.36 4.52 1nhxA1 GLN 502 HB2 -0.00 0.09 0.07 -0.04 2.15 2.27 1nhxA1 GLN 502 HB3 -0.03 -0.05 0.14 -0.04 2.02 2.05 1nhxA1 GLN 502 HG2 0.00 -0.06 -0.00 -0.04 2.40 2.30 1nhxA1 GLN 502 HG3 -0.01 0.03 -0.08 -0.04 2.39 2.29 1nhxA1 GLN 502 HE21 0.09 -0.03 -0.08 -0.04 6.97 6.91 1nhxA1 GLN 502 HE22 0.04 0.02 -0.14 -0.04 7.69 7.56 1nhxA1 HIS 503 H -0.07 0.32 -0.27 -0.55 8.41 7.84 1nhxA1 HIS 503 HA -0.18 0.07 0.64 -0.75 4.63 4.41 1nhxA1 HIS 503 HB2 -0.25 0.00 0.15 -0.04 3.26 3.13 1nhxA1 HIS 503 HB3 -0.69 0.05 0.14 -0.04 3.20 2.66 1nhxA1 HIS 503 HD2 -0.79 0.05 -0.29 -0.04 6.97 5.90 1nhxA1 HIS 503 HE1 0.00 -0.01 0.00 -0.04 7.75 7.70 1nhxA1 PRO 504 HA -0.18 -0.04 0.25 -0.51 4.44 3.96 1nhxA1 PRO 504 HB2 -0.25 0.04 0.05 -0.04 2.28 2.07 1nhxA1 PRO 504 HB3 -0.17 -0.03 0.08 -0.04 2.02 1.86 1nhxA1 PRO 504 HG2 -0.29 0.00 0.10 -0.04 2.03 1.80 1nhxA1 PRO 504 HG3 -0.21 0.03 0.13 -0.04 2.03 1.94 1nhxA1 PRO 504 HD2 -1.14 0.10 0.17 -0.04 3.68 2.76 1nhxA1 PRO 504 HD3 -0.42 0.19 0.32 -0.04 3.65 3.70 1nhxA1 ALA 505 H -0.13 0.06 0.15 -0.55 8.40 7.93 1nhxA1 ALA 505 HA -0.11 -0.02 0.32 -0.75 4.34 3.77 1nhxA1 ALA 505 HB3 -0.10 0.02 -0.04 -0.04 1.41 1.25 1nhxA1 ALA 506 H -0.20 0.38 -0.31 -0.55 8.40 7.72 1nhxA1 ALA 506 HA -0.37 0.04 0.40 -0.75 4.34 3.66 1nhxA1 ALA 506 HB3 -0.34 -0.03 0.04 -0.04 1.41 1.04 1nhxA1 LYS 507 H -0.11 0.84 0.28 -0.55 8.42 8.87 1nhxA1 LYS 507 HA -0.09 0.08 0.86 -0.75 4.32 4.42 1nhxA1 LYS 507 HB2 -0.21 -0.09 0.16 -0.04 1.87 1.69 1nhxA1 LYS 507 HB3 -0.09 -0.05 0.07 -0.04 1.79 1.68 1nhxA1 LYS 507 HG2 -0.36 0.20 -0.04 -0.04 1.46 1.21 1nhxA1 LYS 507 HG3 -0.89 -0.12 -0.07 -0.04 1.46 0.34 1nhxA1 LYS 507 HD2 -0.11 -0.12 -0.00 -0.04 1.69 1.42 1nhxA1 LYS 507 HD3 -0.12 0.07 -0.09 -0.04 1.68 1.50 1nhxA1 LYS 507 HE2 -0.08 -0.17 -0.01 -0.04 2.99 2.69 1nhxA1 LYS 507 HE3 -0.14 0.32 -0.03 -0.04 2.99 3.11 1nhxA1 LEU 508 H -0.09 0.16 -0.14 -0.55 8.37 7.75 1nhxA1 LEU 508 HA -0.14 0.08 0.30 -0.75 4.35 3.84 1nhxA1 LEU 508 HB2 -0.08 -0.06 0.03 -0.04 1.64 1.50 1nhxA1 LEU 508 HB3 -0.38 0.04 -0.05 -0.04 1.64 1.22 1nhxA1 LEU 508 HG -0.31 0.06 -0.11 -0.04 1.64 1.24 1nhxA1 LEU 508 HD13 -0.53 -0.04 -0.01 -0.04 0.93 0.31 1nhxA1 LEU 508 HD23 -0.97 0.04 -0.20 -0.04 0.89 -0.28 1nhxA1 PRO 509 HA 0.14 0.19 0.40 -0.51 4.44 4.66 1nhxA1 PRO 509 HB2 0.30 -0.06 -0.21 -0.04 2.28 2.27 1nhxA1 PRO 509 HB3 0.17 -0.09 -0.45 -0.04 2.02 1.61 1nhxA1 PRO 509 HG2 0.22 -0.04 -0.06 -0.04 2.03 2.10 1nhxA1 PRO 509 HG3 0.12 0.22 -0.02 -0.04 2.03 2.31 1nhxA1 PRO 509 HD2 0.13 0.00 0.13 -0.04 3.68 3.89 1nhxA1 PRO 509 HD3 0.03 0.22 0.23 -0.04 3.65 4.09 1nhxA1 LYS 510 H 0.11 0.47 0.30 -0.55 8.42 8.74 1nhxA1 LYS 510 HA 0.03 0.03 0.64 -0.75 4.32 4.27 1nhxA1 LYS 510 HB2 0.04 0.11 0.21 -0.04 1.87 2.19 1nhxA1 LYS 510 HB3 -0.04 -0.07 0.04 -0.04 1.79 1.68 1nhxA1 LYS 510 HG2 -0.59 -0.02 -0.06 -0.04 1.46 0.76 1nhxA1 LYS 510 HG3 -0.09 -0.00 0.05 -0.04 1.46 1.37 1nhxA1 LYS 510 HD2 0.09 -0.00 -0.15 -0.04 1.69 1.58 1nhxA1 LYS 510 HD3 -0.06 -0.06 -0.15 -0.04 1.68 1.37 1nhxA1 LYS 510 HE2 0.00 0.05 -0.00 -0.04 2.99 2.99 1nhxA1 LYS 510 HE3 -0.04 0.22 -0.18 -0.04 2.99 2.96 1nhxA1 ILE 511 H -0.14 0.13 0.16 -0.55 8.25 7.84 1nhxA1 ILE 511 HA -0.10 0.36 1.10 -0.75 4.18 4.80 1nhxA1 ILE 511 HB -0.04 -0.12 0.14 -0.04 1.89 1.84 1nhxA1 ILE 511 HG12 -0.02 0.04 -0.06 -0.04 1.49 1.40 1nhxA1 ILE 511 HG13 0.15 0.11 -0.40 -0.04 1.21 1.03 1nhxA1 ILE 511 HG23 0.00 0.00 -0.09 -0.04 0.93 0.80 1nhxA1 ILE 511 HD13 -0.35 -0.01 -0.11 -0.04 0.88 0.37 1nhxA1 PHE 512 H 0.04 0.75 0.46 -0.55 8.34 9.04 1nhxA1 PHE 512 HA 0.05 0.16 1.15 -0.75 4.62 5.22 1nhxA1 PHE 512 HB2 0.02 -0.05 -0.00 -0.04 3.15 3.08 1nhxA1 PHE 512 HB3 0.08 0.06 0.07 -0.04 3.06 3.23 1nhxA1 PHE 512 HD2 0.20 0.08 -0.21 -0.04 7.28 7.31 1nhxA1 PHE 512 HE2 -0.09 0.01 -0.15 -0.04 7.38 7.11 1nhxA1 PHE 512 HZ -0.12 0.07 -0.08 -0.04 7.32 7.14 1nhxA1 HIS 513 H -0.04 0.68 0.36 -0.55 8.41 8.86 1nhxA1 HIS 513 HA -0.09 0.39 0.96 -0.75 4.63 5.13 1nhxA1 HIS 513 HB2 -0.47 -0.05 -0.16 -0.04 3.26 2.55 1nhxA1 HIS 513 HB3 -1.49 -0.06 -0.02 -0.04 3.20 1.59 1nhxA1 HIS 513 HD2 -0.06 -0.02 -0.17 -0.04 6.97 6.68 1nhxA1 HIS 513 HE1 0.02 -0.03 -0.17 -0.04 7.75 7.52 1nhxA1 VAL 514 H -0.55 0.62 0.43 -0.55 8.24 8.20 1nhxA1 VAL 514 HA -0.29 0.33 1.16 -0.75 4.13 4.58 1nhxA1 VAL 514 HB -1.38 -0.01 0.05 -0.04 2.12 0.74 1nhxA1 VAL 514 HG13 -0.17 -0.02 -0.15 -0.04 0.97 0.59 1nhxA1 VAL 514 HG23 -0.75 0.01 -0.09 -0.04 0.95 0.08 1nhxA1 ASN 515 H -0.39 0.73 0.26 -0.55 8.53 8.59 1nhxA1 ASN 515 HA -0.35 0.19 0.79 -0.75 4.76 4.64 1nhxA1 ASN 515 HB2 0.02 0.02 -0.05 -0.04 2.88 2.83 1nhxA1 ASN 515 HB3 -0.06 0.30 -0.03 -0.04 2.79 2.96 1nhxA1 ASN 515 HD21 0.03 0.32 -0.02 -0.04 7.03 7.32 1nhxA1 ASN 515 HD22 -0.02 0.54 -0.00 -0.04 7.74 8.22 1nhxA1 TRP 516 H -0.53 0.26 0.13 -0.55 7.97 7.28 1nhxA1 TRP 516 HA -0.27 0.10 0.64 -0.75 4.62 4.33 1nhxA1 TRP 516 HB2 -1.78 0.06 0.02 -0.04 3.23 1.49 1nhxA1 TRP 516 HB3 -0.65 -0.06 0.15 -0.04 3.23 2.63 1nhxA1 TRP 516 HD1 -0.37 0.15 0.03 -0.04 7.22 6.99 1nhxA1 TRP 516 HE1 -0.46 0.04 -0.08 -0.04 10.20 9.65 1nhxA1 TRP 516 HE3 -0.22 0.02 -0.08 -0.04 7.59 7.27 1nhxA1 TRP 516 HZ2 0.01 0.03 -0.11 -0.04 7.44 7.33 1nhxA1 TRP 516 HZ3 -0.16 -0.02 -0.05 -0.04 7.13 6.85 1nhxA1 TRP 516 HH2 -0.02 0.01 -0.09 -0.04 7.19 7.04 1nhxA1 PHE 517 H 0.10 0.07 -0.36 -0.55 8.34 7.61 1nhxA1 PHE 517 HA 0.24 0.24 0.62 -0.75 4.62 4.97 1nhxA1 PHE 517 HB2 0.06 -0.15 0.04 -0.04 3.15 3.07 1nhxA1 PHE 517 HB3 0.28 0.03 0.04 -0.04 3.06 3.37 1nhxA1 PHE 517 HD2 -0.12 0.04 0.04 -0.04 7.28 7.21 1nhxA1 PHE 517 HE2 -0.13 0.01 -0.02 -0.04 7.38 7.20 1nhxA1 PHE 517 HZ -0.05 0.01 -0.14 -0.04 7.32 7.10 1nhxA1 ARG 518 H 0.12 0.10 -0.16 -0.55 8.46 7.96 1nhxA1 ARG 518 HA 0.07 0.26 0.48 -0.75 4.34 4.39 1nhxA1 ARG 518 HB2 -0.02 0.14 0.04 -0.04 1.90 2.02 1nhxA1 ARG 518 HB3 0.01 -0.17 -0.01 -0.04 1.80 1.59 1nhxA1 ARG 518 HG2 -0.03 0.03 -0.09 -0.04 1.67 1.53 1nhxA1 ARG 518 HG3 -0.06 -0.03 -0.18 -0.04 1.67 1.35 1nhxA1 ARG 518 HD2 -0.12 0.26 -0.21 -0.04 3.22 3.11 1nhxA1 ARG 518 HD3 -0.09 -0.11 -0.10 -0.04 3.22 2.88 1nhxA1 LYS 519 H 0.00 0.74 0.38 -0.55 8.42 9.00 1nhxA1 LYS 519 HA -0.01 0.15 0.90 -0.75 4.32 4.62 1nhxA1 LYS 519 HB2 -0.07 0.03 0.09 -0.04 1.87 1.88 1nhxA1 LYS 519 HB3 -0.13 -0.13 -0.10 -0.04 1.79 1.39 1nhxA1 LYS 519 HG2 -0.60 -0.04 -0.50 -0.04 1.46 0.28 1nhxA1 LYS 519 HG3 -0.09 0.21 -0.30 -0.04 1.46 1.24 1nhxA1 LYS 519 HD2 -0.10 -0.07 -0.00 -0.04 1.69 1.48 1nhxA1 LYS 519 HD3 -0.22 -0.07 -0.01 -0.04 1.68 1.34 1nhxA1 LYS 519 HE2 -0.85 0.05 -0.02 -0.04 2.99 2.13 1nhxA1 LYS 519 HE3 -0.13 0.03 -0.04 -0.04 2.99 2.81 1nhxA1 ASP 520 H -0.03 0.68 0.21 -0.55 8.40 8.72 1nhxA1 ASP 520 HA -0.01 0.16 0.74 -0.75 4.63 4.77 1nhxA1 ASP 520 HB2 0.00 -0.11 0.19 -0.04 2.71 2.76 1nhxA1 ASP 520 HB3 0.01 0.08 0.09 -0.04 2.70 2.84 1nhxA1 LYS 521 H -0.01 0.13 0.15 -0.55 8.42 8.14 1nhxA1 LYS 521 HA -0.02 0.18 0.25 -0.75 4.32 3.97 1nhxA1 LYS 521 HB2 -0.01 0.05 0.11 -0.04 1.87 1.98 1nhxA1 LYS 521 HB3 -0.00 0.02 0.11 -0.04 1.79 1.88 1nhxA1 LYS 521 HG2 0.00 -0.02 0.09 -0.04 1.46 1.49 1nhxA1 LYS 521 HG3 -0.00 -0.03 -0.01 -0.04 1.46 1.38 1nhxA1 LYS 521 HD2 0.00 0.00 -0.02 -0.04 1.69 1.63 1nhxA1 LYS 521 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.65 1nhxA1 LYS 521 HE2 0.01 -0.02 0.02 -0.04 2.99 2.96 1nhxA1 LYS 521 HE3 0.00 0.01 0.00 -0.04 2.99 2.97 1nhxA1 GLU 522 H -0.02 -0.02 -0.31 -0.55 8.60 7.71 1nhxA1 GLU 522 HA -0.02 0.22 0.70 -0.75 4.29 4.43 1nhxA1 GLU 522 HB2 -0.02 -0.07 0.02 -0.04 2.09 1.98 1nhxA1 GLU 522 HB3 -0.02 0.06 0.11 -0.04 1.99 2.10 1nhxA1 GLU 522 HG2 -0.01 0.02 0.00 -0.04 2.34 2.32 1nhxA1 GLU 522 HG3 -0.01 0.07 -0.04 -0.04 2.34 2.33 1nhxA1 GLY 523 H -0.06 0.55 -0.44 -0.55 8.43 7.93 1nhxA1 GLY 523 HA2 -0.13 0.10 0.22 -0.51 4.01 3.69 1nhxA1 GLY 523 HA3 -0.11 0.09 0.45 -0.51 4.01 3.94 1nhxA1 LYS 524 H -0.07 -0.11 -0.31 -0.55 8.42 7.37 1nhxA1 LYS 524 HA -0.15 0.18 0.77 -0.75 4.32 4.37 1nhxA1 LYS 524 HB2 -0.01 -0.12 -0.02 -0.04 1.87 1.68 1nhxA1 LYS 524 HB3 0.02 0.11 -0.01 -0.04 1.79 1.87 1nhxA1 LYS 524 HG2 -0.03 -0.06 -0.16 -0.04 1.46 1.17 1nhxA1 LYS 524 HG3 0.00 -0.02 -0.04 -0.04 1.46 1.36 1nhxA1 LYS 524 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 1nhxA1 LYS 524 HD3 -0.04 0.10 -0.15 -0.04 1.68 1.55 1nhxA1 LYS 524 HE2 -0.00 -0.05 -0.04 -0.04 2.99 2.85 1nhxA1 LYS 524 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 1nhxA1 PHE 525 H 0.02 0.13 0.11 -0.55 8.34 8.05 1nhxA1 PHE 525 HA 0.06 0.28 0.49 -0.75 4.62 4.69 1nhxA1 PHE 525 HB2 0.05 -0.06 0.08 -0.04 3.15 3.18 1nhxA1 PHE 525 HB3 0.07 0.11 0.04 -0.04 3.06 3.23 1nhxA1 PHE 525 HD2 0.11 0.01 -0.05 -0.04 7.28 7.30 1nhxA1 PHE 525 HE2 0.22 -0.01 -0.00 -0.04 7.38 7.55 1nhxA1 PHE 525 HZ 0.16 -0.02 -0.01 -0.04 7.32 7.41 1nhxA1 LEU 526 H 0.20 0.70 0.26 -0.55 8.37 8.98 1nhxA1 LEU 526 HA 0.10 0.02 0.49 -0.75 4.35 4.21 1nhxA1 LEU 526 HB2 0.10 0.11 -0.03 -0.04 1.64 1.78 1nhxA1 LEU 526 HB3 0.09 -0.10 0.01 -0.04 1.64 1.60 1nhxA1 LEU 526 HG 0.05 0.03 -0.24 -0.04 1.64 1.44 1nhxA1 LEU 526 HD13 0.00 0.01 -0.37 -0.04 0.93 0.53 1nhxA1 LEU 526 HD23 0.04 -0.04 -0.06 -0.04 0.89 0.79 1nhxA1 TRP 527 H 0.29 0.24 -0.17 -0.55 7.97 7.78 1nhxA1 TRP 527 HA -0.02 0.18 0.85 -0.75 4.62 4.88 1nhxA1 TRP 527 HB2 -0.03 -0.01 -0.14 -0.04 3.23 3.01 1nhxA1 TRP 527 HB3 -0.03 0.11 0.07 -0.04 3.23 3.34 1nhxA1 TRP 527 HD1 -0.09 0.08 -0.05 -0.04 7.22 7.12 1nhxA1 TRP 527 HE1 -0.19 -0.04 -0.16 -0.04 10.20 9.77 1nhxA1 TRP 527 HE3 -0.01 0.04 -0.02 -0.04 7.59 7.56 1nhxA1 TRP 527 HZ2 -0.07 0.11 -0.09 -0.04 7.44 7.35 1nhxA1 TRP 527 HZ3 0.01 -0.02 -0.06 -0.04 7.13 7.02 1nhxA1 TRP 527 HH2 -0.02 0.06 -0.07 -0.04 7.19 7.12 1nhxA1 PRO 528 HA -0.16 0.09 0.37 -0.51 4.44 4.23 1nhxA1 PRO 528 HB2 -0.36 0.05 -0.03 -0.04 2.28 1.91 1nhxA1 PRO 528 HB3 -0.25 0.01 0.07 -0.04 2.02 1.81 1nhxA1 PRO 528 HG2 -1.05 -0.00 0.05 -0.04 2.03 0.99 1nhxA1 PRO 528 HG3 -0.49 0.03 0.05 -0.04 2.03 1.58 1nhxA1 PRO 528 HD2 -1.24 0.07 0.20 -0.04 3.68 2.67 1nhxA1 PRO 528 HD3 -0.31 0.20 0.11 -0.04 3.65 3.61 1nhxA1 GLY 529 H -1.43 0.02 -0.25 -0.55 8.43 6.22 1nhxA1 GLY 529 HA2 -0.24 -0.01 0.17 -0.51 4.01 3.42 1nhxA1 GLY 529 HA3 -0.38 0.14 0.21 -0.51 4.01 3.46 1nhxA1 PHE 530 H -0.81 0.16 0.15 -0.55 8.34 7.28 1nhxA1 PHE 530 HA -0.31 0.11 0.36 -0.75 4.62 4.03 1nhxA1 PHE 530 HB2 -0.23 0.11 0.05 -0.04 3.15 3.04 1nhxA1 PHE 530 HB3 -0.18 0.05 0.25 -0.04 3.06 3.14 1nhxA1 PHE 530 HD2 -0.19 0.23 0.02 -0.04 7.28 7.30 1nhxA1 PHE 530 HE2 -0.14 0.02 0.02 -0.04 7.38 7.24 1nhxA1 PHE 530 HZ -0.09 -0.02 -0.00 -0.04 7.32 7.17 1nhxA1 GLY 531 H 0.02 0.23 0.23 -0.55 8.43 8.36 1nhxA1 GLY 531 HA2 -0.09 0.12 0.42 -0.51 4.01 3.95 1nhxA1 GLY 531 HA3 -0.07 0.18 0.39 -0.51 4.01 4.00 1nhxA1 GLU 532 H -0.17 0.50 -0.18 -0.55 8.60 8.20 1nhxA1 GLU 532 HA -0.14 0.05 0.60 -0.75 4.29 4.05 1nhxA1 GLU 532 HB2 -0.54 0.02 -0.05 -0.04 2.09 1.47 1nhxA1 GLU 532 HB3 -0.45 -0.03 0.08 -0.04 1.99 1.55 1nhxA1 GLU 532 HG2 -0.25 0.13 0.01 -0.04 2.34 2.19 1nhxA1 GLU 532 HG3 -0.41 -0.04 -0.02 -0.04 2.34 1.83 1nhxA1 ASN 533 H -0.22 0.59 -0.61 -0.55 8.53 7.74 1nhxA1 ASN 533 HA 0.10 0.02 0.50 -0.75 4.76 4.62 1nhxA1 ASN 533 HB2 -0.54 0.27 0.01 -0.04 2.88 2.58 1nhxA1 ASN 533 HB3 -0.70 -0.02 0.03 -0.04 2.79 2.05 1nhxA1 ASN 533 HD21 -1.93 -0.04 0.05 -0.04 7.03 5.06 1nhxA1 ASN 533 HD22 -1.59 0.10 0.01 -0.04 7.74 6.23 1nhxA1 SER 534 H -0.12 0.41 -0.51 -0.55 8.46 7.69 1nhxA1 SER 534 HA -0.16 0.09 0.41 -0.75 4.49 4.08 1nhxA1 SER 534 HB2 -0.32 0.03 0.03 -0.04 3.95 3.66 1nhxA1 SER 534 HB3 -0.13 0.05 0.13 -0.04 3.93 3.95 1nhxA1 ARG 535 H 0.00 0.54 -0.38 -0.55 8.46 8.06 1nhxA1 ARG 535 HA -0.16 0.06 0.42 -0.75 4.34 3.91 1nhxA1 ARG 535 HB2 0.33 0.04 0.09 -0.04 1.90 2.33 1nhxA1 ARG 535 HB3 0.12 -0.02 0.10 -0.04 1.80 1.96 1nhxA1 ARG 535 HG2 -0.01 0.00 0.05 -0.04 1.67 1.67 1nhxA1 ARG 535 HG3 -0.03 -0.14 0.07 -0.04 1.67 1.52 1nhxA1 ARG 535 HD2 0.10 0.02 0.09 -0.04 3.22 3.39 1nhxA1 ARG 535 HD3 0.16 0.17 0.10 -0.04 3.22 3.61 1nhxA1 VAL 536 H 0.10 0.20 -0.19 -0.55 8.24 7.81 1nhxA1 VAL 536 HA 0.07 0.05 0.51 -0.75 4.13 4.00 1nhxA1 VAL 536 HB 0.20 0.15 0.10 -0.04 2.12 2.53 1nhxA1 VAL 536 HG13 0.17 0.01 -0.19 -0.04 0.97 0.93 1nhxA1 VAL 536 HG23 -0.07 -0.00 -0.04 -0.04 0.95 0.79 1nhxA1 LEU 537 H -0.00 0.49 -0.16 -0.55 8.37 8.15 1nhxA1 LEU 537 HA 0.01 0.03 0.37 -0.75 4.35 4.01 1nhxA1 LEU 537 HB2 -0.11 0.06 0.07 -0.04 1.64 1.62 1nhxA1 LEU 537 HB3 0.02 -0.00 -0.08 -0.04 1.64 1.53 1nhxA1 LEU 537 HG 0.05 0.07 -0.09 -0.04 1.64 1.62 1nhxA1 LEU 537 HD13 0.07 0.01 -0.12 -0.04 0.93 0.84 1nhxA1 LEU 537 HD23 0.12 -0.01 -0.14 -0.04 0.89 0.81 1nhxA1 GLU 538 H -0.28 0.53 -0.31 -0.55 8.60 8.00 1nhxA1 GLU 538 HA -0.39 0.01 0.38 -0.75 4.29 3.53 1nhxA1 GLU 538 HB2 -1.01 0.05 0.10 -0.04 2.09 1.19 1nhxA1 GLU 538 HB3 -0.22 0.13 0.18 -0.04 1.99 2.03 1nhxA1 GLU 538 HG2 0.07 -0.01 -0.25 -0.04 2.34 2.11 1nhxA1 GLU 538 HG3 0.10 -0.04 0.01 -0.04 2.34 2.37 1nhxA1 TRP 539 H 0.18 0.42 -0.23 -0.55 7.97 7.80 1nhxA1 TRP 539 HA 0.03 0.01 0.36 -0.75 4.62 4.27 1nhxA1 TRP 539 HB2 -0.02 -0.01 0.09 -0.04 3.23 3.24 1nhxA1 TRP 539 HB3 -0.05 0.12 0.09 -0.04 3.23 3.36 1nhxA1 TRP 539 HD1 0.01 0.03 -0.10 -0.04 7.22 7.13 1nhxA1 TRP 539 HE1 0.02 0.19 -0.02 -0.04 10.20 10.35 1nhxA1 TRP 539 HE3 -0.07 0.05 -0.22 -0.04 7.59 7.31 1nhxA1 TRP 539 HZ2 0.11 0.05 -0.47 -0.04 7.44 7.08 1nhxA1 TRP 539 HZ3 0.33 0.02 -0.32 -0.04 7.13 7.13 1nhxA1 TRP 539 HH2 0.30 0.05 -0.36 -0.04 7.19 7.13 1nhxA1 MET 540 H 0.06 0.51 -0.19 -0.55 8.47 8.30 1nhxA1 MET 540 HA -0.62 0.01 0.34 -0.75 4.52 3.49 1nhxA1 MET 540 HB2 -0.18 0.10 0.07 -0.04 2.15 2.10 1nhxA1 MET 540 HB3 -0.56 -0.02 -0.13 -0.04 2.03 1.28 1nhxA1 MET 540 HG2 -2.41 -0.02 -0.11 -0.04 2.63 0.05 1nhxA1 MET 540 HG3 -0.29 0.07 -0.06 -0.04 2.56 2.23 1nhxA1 MET 540 HE3 -0.01 -0.01 -0.18 -0.04 2.10 1.85 1nhxA1 PHE 541 H 0.15 0.70 -0.18 -0.55 8.34 8.46 1nhxA1 PHE 541 HA 0.06 -0.00 0.31 -0.75 4.62 4.24 1nhxA1 PHE 541 HB2 0.16 0.09 0.05 -0.04 3.15 3.41 1nhxA1 PHE 541 HB3 0.23 0.13 0.14 -0.04 3.06 3.52 1nhxA1 PHE 541 HD2 0.21 0.01 -0.24 -0.04 7.28 7.22 1nhxA1 PHE 541 HE2 0.04 0.07 -0.05 -0.04 7.38 7.40 1nhxA1 PHE 541 HZ -0.05 -0.01 -0.22 -0.04 7.32 7.00 1nhxA1 ASN 542 H 0.19 0.56 -0.17 -0.55 8.53 8.57 1nhxA1 ASN 542 HA 0.19 0.03 0.38 -0.75 4.76 4.61 1nhxA1 ASN 542 HB2 0.04 0.10 0.08 -0.04 2.88 3.06 1nhxA1 ASN 542 HB3 0.07 -0.10 0.00 -0.04 2.79 2.72 1nhxA1 ASN 542 HD21 0.23 -0.05 -0.03 -0.04 7.03 7.13 1nhxA1 ASN 542 HD22 0.16 0.00 -0.05 -0.04 7.74 7.82 1nhxA1 ARG 543 H -0.28 0.60 -0.16 -0.55 8.46 8.06 1nhxA1 ARG 543 HA -0.22 0.03 0.55 -0.75 4.34 3.95 1nhxA1 ARG 543 HB2 -0.39 0.13 0.15 -0.04 1.90 1.75 1nhxA1 ARG 543 HB3 -0.20 -0.04 -0.06 -0.04 1.80 1.46 1nhxA1 ARG 543 HG2 -1.35 0.05 -0.03 -0.04 1.67 0.30 1nhxA1 ARG 543 HG3 -1.85 -0.05 -0.14 -0.04 1.67 -0.41 1nhxA1 ARG 543 HD2 -0.29 0.17 0.02 -0.04 3.22 3.08 1nhxA1 ARG 543 HD3 -0.29 -0.11 -0.18 -0.04 3.22 2.60 1nhxA1 ILE 544 H -0.02 0.69 -0.13 -0.55 8.25 8.24 1nhxA1 ILE 544 HA 0.01 0.01 0.47 -0.75 4.18 3.92 1nhxA1 ILE 544 HB -0.10 0.19 0.15 -0.04 1.89 2.09 1nhxA1 ILE 544 HG12 0.10 0.07 0.08 -0.04 1.49 1.70 1nhxA1 ILE 544 HG13 0.20 -0.02 0.02 -0.04 1.21 1.37 1nhxA1 ILE 544 HG23 -0.05 -0.02 -0.07 -0.04 0.93 0.74 1nhxA1 ILE 544 HD13 0.10 -0.05 -0.22 -0.04 0.88 0.67 1nhxA1 ASP 545 H -0.04 0.23 -0.48 -0.55 8.40 7.57 1nhxA1 ASP 545 HA -0.03 0.09 0.50 -0.75 4.63 4.44 1nhxA1 ASP 545 HB2 0.03 0.05 0.14 -0.04 2.71 2.89 1nhxA1 ASP 545 HB3 0.02 -0.09 0.13 -0.04 2.70 2.73 1nhxA1 GLY 546 H -0.04 0.51 -0.58 -0.55 8.43 7.77 1nhxA1 GLY 546 HA2 -0.04 0.05 0.26 -0.51 4.01 3.76 1nhxA1 GLY 546 HA3 -0.02 0.02 0.41 -0.51 4.01 3.91 1nhxA1 LYS 547 H -0.03 0.56 -0.12 -0.55 8.42 8.28 1nhxA1 LYS 547 HA 0.00 -0.01 0.44 -0.75 4.32 4.00 1nhxA1 LYS 547 HB2 0.01 0.11 -0.01 -0.04 1.87 1.93 1nhxA1 LYS 547 HB3 -0.05 -0.08 -0.19 -0.04 1.79 1.42 1nhxA1 LYS 547 HG2 0.05 -0.01 -0.12 -0.04 1.46 1.34 1nhxA1 LYS 547 HG3 0.04 -0.04 -0.15 -0.04 1.46 1.26 1nhxA1 LYS 547 HD2 0.04 0.03 -0.02 -0.04 1.69 1.70 1nhxA1 LYS 547 HD3 0.06 0.01 -0.03 -0.04 1.68 1.67 1nhxA1 LYS 547 HE2 0.06 -0.01 -0.04 -0.04 2.99 2.97 1nhxA1 LYS 547 HE3 0.06 0.00 -0.07 -0.04 2.99 2.94 1nhxA1 ALA 548 H 0.01 0.13 0.14 -0.55 8.40 8.13 1nhxA1 ALA 548 HA -0.02 0.13 0.52 -0.75 4.34 4.22 1nhxA1 ALA 548 HB3 0.01 0.01 0.20 -0.04 1.41 1.59 1nhxA1 SER 549 H 0.02 0.68 -0.27 -0.55 8.46 8.34 1nhxA1 SER 549 HA 0.15 0.16 0.61 -0.75 4.49 4.64 1nhxA1 SER 549 HB2 0.52 -0.08 0.11 -0.04 3.95 4.46 1nhxA1 SER 549 HB3 0.17 -0.01 -0.10 -0.04 3.93 3.94 1nhxA1 THR 550 H 0.08 0.12 -0.41 -0.55 8.28 7.52 1nhxA1 THR 550 HA 0.36 0.22 0.51 -0.75 4.39 4.73 1nhxA1 THR 550 HB -0.06 -0.03 0.04 -0.04 4.32 4.24 1nhxA1 THR 550 HG23 -0.04 -0.01 -0.22 -0.04 1.22 0.91 1nhxA1 LYS 551 H 0.23 0.70 0.23 -0.55 8.42 9.03 1nhxA1 LYS 551 HA 0.11 0.09 0.57 -0.75 4.32 4.34 1nhxA1 LYS 551 HB2 0.04 -0.05 0.03 -0.04 1.87 1.84 1nhxA1 LYS 551 HB3 0.03 0.08 -0.10 -0.04 1.79 1.76 1nhxA1 LYS 551 HG2 0.03 0.14 -0.38 -0.04 1.46 1.21 1nhxA1 LYS 551 HG3 0.03 -0.04 0.03 -0.04 1.46 1.45 1nhxA1 LYS 551 HD2 -0.01 -0.11 -0.01 -0.04 1.69 1.52 1nhxA1 LYS 551 HD3 -0.02 0.03 -0.08 -0.04 1.68 1.57 1nhxA1 LYS 551 HE2 0.00 0.11 -0.01 -0.04 2.99 3.05 1nhxA1 LYS 551 HE3 0.00 -0.05 0.01 -0.04 2.99 2.91 1nhxA1 LEU 552 H 0.13 0.11 0.08 -0.55 8.37 8.14 1nhxA1 LEU 552 HA 0.12 0.10 0.48 -0.75 4.35 4.29 1nhxA1 LEU 552 HB2 0.19 -0.02 0.04 -0.04 1.64 1.81 1nhxA1 LEU 552 HB3 0.06 -0.04 0.11 -0.04 1.64 1.73 1nhxA1 LEU 552 HG -0.06 0.06 -0.28 -0.04 1.64 1.33 1nhxA1 LEU 552 HD13 -0.21 -0.00 -0.05 -0.04 0.93 0.63 1nhxA1 LEU 552 HD23 0.00 -0.02 -0.06 -0.04 0.89 0.78 1nhxA1 THR 553 H -0.09 0.56 0.37 -0.55 8.28 8.57 1nhxA1 THR 553 HA -0.08 0.16 0.64 -0.75 4.39 4.35 1nhxA1 THR 553 HB -0.15 -0.01 0.19 -0.04 4.32 4.31 1nhxA1 THR 553 HG23 -0.03 0.05 -0.14 -0.04 1.22 1.07 1nhxA1 PRO 554 HA -0.17 0.09 0.46 -0.51 4.44 4.31 1nhxA1 PRO 554 HB2 -0.27 0.01 -0.11 -0.04 2.28 1.87 1nhxA1 PRO 554 HB3 -0.14 0.00 -0.20 -0.04 2.02 1.65 1nhxA1 PRO 554 HG2 -0.13 0.01 0.01 -0.04 2.03 1.88 1nhxA1 PRO 554 HG3 -0.10 0.14 -0.02 -0.04 2.03 2.01 1nhxA1 PRO 554 HD2 -0.19 0.10 0.19 -0.04 3.68 3.73 1nhxA1 PRO 554 HD3 -0.11 0.16 0.16 -0.04 3.65 3.82 1nhxA1 ILE 555 H -0.41 0.09 -0.29 -0.55 8.25 7.09 1nhxA1 ILE 555 HA -0.33 0.15 0.63 -0.75 4.18 3.87 1nhxA1 ILE 555 HB -1.02 0.02 0.02 -0.04 1.89 0.86 1nhxA1 ILE 555 HG12 -0.60 -0.05 -0.09 -0.04 1.49 0.70 1nhxA1 ILE 555 HG13 -0.75 0.05 -0.43 -0.04 1.21 0.04 1nhxA1 ILE 555 HG23 -1.72 -0.01 -0.10 -0.04 0.93 -0.94 1nhxA1 ILE 555 HD13 -0.94 0.01 -0.11 -0.04 0.88 -0.19 1nhxA1 GLY 556 H -0.24 0.28 -0.22 -0.55 8.43 7.70 1nhxA1 GLY 556 HA2 -0.19 -0.03 0.27 -0.51 4.01 3.55 1nhxA1 GLY 556 HA3 0.17 0.24 0.54 -0.51 4.01 4.44 1nhxA1 TYR 557 H 0.15 0.53 0.23 -0.55 8.29 8.65 1nhxA1 TYR 557 HA 0.14 0.20 0.87 -0.75 4.56 5.01 1nhxA1 TYR 557 HB2 0.37 -0.03 0.06 -0.04 3.06 3.42 1nhxA1 TYR 557 HB3 0.30 -0.00 -0.01 -0.04 2.98 3.22 1nhxA1 TYR 557 HD2 0.12 0.02 -0.17 -0.04 7.15 7.09 1nhxA1 TYR 557 HE2 0.06 0.03 -0.02 -0.04 6.85 6.88 1nhxA1 ILE 558 H 0.19 0.57 0.31 -0.55 8.25 8.77 1nhxA1 ILE 558 HA 0.01 0.22 0.79 -0.75 4.18 4.44 1nhxA1 ILE 558 HB -0.06 0.03 0.17 -0.04 1.89 1.99 1nhxA1 ILE 558 HG12 0.02 0.06 0.01 -0.04 1.49 1.54 1nhxA1 ILE 558 HG13 -0.09 0.06 -0.25 -0.04 1.21 0.89 1nhxA1 ILE 558 HG23 0.12 0.03 -0.09 -0.04 0.93 0.95 1nhxA1 ILE 558 HD13 -0.02 -0.02 -0.02 -0.04 0.88 0.77 1nhxA1 PRO 559 HA -0.04 0.26 0.63 -0.51 4.44 4.78 1nhxA1 PRO 559 HB2 -0.70 -0.04 0.01 -0.04 2.28 1.52 1nhxA1 PRO 559 HB3 -0.95 0.00 0.03 -0.04 2.02 1.06 1nhxA1 PRO 559 HG2 -0.94 -0.04 0.04 -0.04 2.03 1.05 1nhxA1 PRO 559 HG3 -2.37 0.05 -0.01 -0.04 2.03 -0.34 1nhxA1 PRO 559 HD2 -0.82 0.07 0.20 -0.04 3.68 3.09 1nhxA1 PRO 559 HD3 -0.78 0.24 0.14 -0.04 3.65 3.20 1nhxA1 LYS 560 H 0.13 0.69 0.14 -0.55 8.42 8.82 1nhxA1 LYS 560 HA -0.02 0.02 0.35 -0.75 4.32 3.91 1nhxA1 LYS 560 HB2 0.08 -0.02 -0.08 -0.04 1.87 1.81 1nhxA1 LYS 560 HB3 0.02 0.08 -0.12 -0.04 1.79 1.73 1nhxA1 LYS 560 HG2 0.06 0.01 -0.27 -0.04 1.46 1.22 1nhxA1 LYS 560 HG3 0.10 -0.04 -0.48 -0.04 1.46 0.99 1nhxA1 LYS 560 HD2 0.03 -0.04 -0.02 -0.04 1.69 1.62 1nhxA1 LYS 560 HD3 0.04 -0.03 0.01 -0.04 1.68 1.66 1nhxA1 LYS 560 HE2 0.07 0.08 0.09 -0.04 2.99 3.18 1nhxA1 LYS 560 HE3 0.04 -0.08 0.01 -0.04 2.99 2.93 1nhxA1 GLU 561 H -0.04 0.11 0.09 -0.55 8.60 8.22 1nhxA1 GLU 561 HA -0.09 0.01 0.47 -0.75 4.29 3.93 1nhxA1 GLU 561 HB2 -0.03 0.02 0.15 -0.04 2.09 2.19 1nhxA1 GLU 561 HB3 -0.01 0.02 0.03 -0.04 1.99 1.99 1nhxA1 GLU 561 HG2 -0.02 -0.03 0.03 -0.04 2.34 2.28 1nhxA1 GLU 561 HG3 -0.03 0.00 0.05 -0.04 2.34 2.32 1nhxA1 ASP 562 H -0.06 0.09 0.16 -0.55 8.40 8.04 1nhxA1 ASP 562 HA -0.01 0.00 0.32 -0.75 4.63 4.18 1nhxA1 ASP 562 HB2 0.01 0.21 -0.15 -0.04 2.71 2.74 1nhxA1 ASP 562 HB3 0.02 -0.00 0.11 -0.04 2.70 2.79 1nhxA1 ALA 563 H -0.05 0.47 -0.61 -0.55 8.40 7.67 1nhxA1 ALA 563 HA 0.07 0.08 0.43 -0.75 4.34 4.17 1nhxA1 ALA 563 HB3 0.12 -0.00 -0.00 -0.04 1.41 1.48 1nhxA1 LEU 564 H -0.13 0.06 -0.12 -0.55 8.37 7.63 1nhxA1 LEU 564 HA 0.01 0.09 0.56 -0.75 4.35 4.26 1nhxA1 LEU 564 HB2 -0.31 0.03 0.03 -0.04 1.64 1.35 1nhxA1 LEU 564 HB3 -0.10 -0.06 -0.03 -0.04 1.64 1.41 1nhxA1 LEU 564 HG 0.07 0.07 -0.25 -0.04 1.64 1.49 1nhxA1 LEU 564 HD13 -0.07 -0.01 -0.13 -0.04 0.93 0.68 1nhxA1 LEU 564 HD23 -0.16 -0.01 -0.11 -0.04 0.89 0.56 1nhxA1 ASN 565 H 0.07 0.17 0.13 -0.55 8.53 8.34 1nhxA1 ASN 565 HA 0.06 0.06 0.49 -0.75 4.76 4.61 1nhxA1 ASN 565 HB2 0.06 0.09 0.11 -0.04 2.88 3.10 1nhxA1 ASN 565 HB3 0.03 -0.02 0.20 -0.04 2.79 2.96 1nhxA1 ASN 565 HD21 0.06 0.02 -0.00 -0.04 7.03 7.06 1nhxA1 ASN 565 HD22 0.04 0.02 0.02 -0.04 7.74 7.77 1nhxA1 LEU 566 H 0.06 0.18 0.20 -0.55 8.37 8.26 1nhxA1 LEU 566 HA 0.09 0.21 0.75 -0.75 4.35 4.63 1nhxA1 LEU 566 HB2 0.06 -0.00 0.05 -0.04 1.64 1.70 1nhxA1 LEU 566 HB3 0.07 -0.00 0.11 -0.04 1.64 1.77 1nhxA1 LEU 566 HG 0.08 0.23 -0.22 -0.04 1.64 1.69 1nhxA1 LEU 566 HD13 0.07 -0.03 -0.00 -0.04 0.93 0.93 1nhxA1 LEU 566 HD23 0.28 0.02 -0.22 -0.04 0.89 0.92 1nhxA1 LYS 567 H 0.04 0.04 -0.04 -0.55 8.42 7.90 1nhxA1 LYS 567 HA 0.02 0.00 0.45 -0.75 4.32 4.03 1nhxA1 LYS 567 HB2 0.03 -0.02 0.12 -0.04 1.87 1.96 1nhxA1 LYS 567 HB3 0.02 0.04 0.09 -0.04 1.79 1.90 1nhxA1 LYS 567 HG2 0.01 0.05 -0.13 -0.04 1.46 1.34 1nhxA1 LYS 567 HG3 0.02 -0.03 0.04 -0.04 1.46 1.46 1nhxA1 LYS 567 HD2 0.03 -0.01 0.01 -0.04 1.69 1.68 1nhxA1 LYS 567 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 1nhxA1 LYS 567 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 1nhxA1 LYS 567 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.93 1nhxA1 GLY 568 H 0.00 0.14 0.23 -0.55 8.43 8.25 1nhxA1 GLY 568 HA2 -0.01 -0.03 0.34 -0.51 4.01 3.79 1nhxA1 GLY 568 HA3 -0.02 0.16 0.65 -0.51 4.01 4.29 1nhxA1 LEU 569 H -0.02 0.43 -0.06 -0.55 8.37 8.17 1nhxA1 LEU 569 HA -0.09 0.07 0.74 -0.75 4.35 4.31 1nhxA1 LEU 569 HB2 -0.04 0.12 0.12 -0.04 1.64 1.81 1nhxA1 LEU 569 HB3 -0.11 0.04 0.07 -0.04 1.64 1.59 1nhxA1 LEU 569 HG -0.10 0.04 -0.17 -0.04 1.64 1.37 1nhxA1 LEU 569 HD13 -0.18 -0.03 0.01 -0.04 0.93 0.69 1nhxA1 LEU 569 HD23 -0.29 -0.01 -0.03 -0.04 0.89 0.52 1nhxA1 GLY 570 H -0.07 0.08 0.11 -0.55 8.43 8.01 1nhxA1 GLY 570 HA2 0.01 0.08 0.61 -0.51 4.01 4.21 1nhxA1 GLY 570 HA3 -0.01 0.02 0.34 -0.51 4.01 3.85 1nhxA1 HIS 571 H 0.12 0.07 0.11 -0.55 8.41 8.16 1nhxA1 HIS 571 HA 0.02 0.07 0.41 -0.75 4.63 4.38 1nhxA1 HIS 571 HB2 0.01 0.01 0.10 -0.04 3.26 3.34 1nhxA1 HIS 571 HB3 0.01 -0.02 0.11 -0.04 3.20 3.27 1nhxA1 HIS 571 HD2 0.03 -0.01 -0.16 -0.04 6.97 6.77 1nhxA1 HIS 571 HE1 0.03 -0.02 -0.01 -0.04 7.75 7.71 1nhxA1 ILE 572 H -0.29 0.18 0.20 -0.55 8.25 7.80 1nhxA1 ILE 572 HA -0.11 0.25 0.89 -0.75 4.18 4.45 1nhxA1 ILE 572 HB 0.03 -0.07 0.13 -0.04 1.89 1.94 1nhxA1 ILE 572 HG12 -0.01 0.15 -0.09 -0.04 1.49 1.50 1nhxA1 ILE 572 HG13 0.17 -0.02 -0.02 -0.04 1.21 1.31 1nhxA1 ILE 572 HG23 0.24 0.02 -0.22 -0.04 0.93 0.94 1nhxA1 ILE 572 HD13 -0.07 0.04 -0.06 -0.04 0.88 0.74 1nhxA1 ASN 573 H -0.09 0.30 0.06 -0.55 8.53 8.25 1nhxA1 ASN 573 HA -0.05 0.07 0.68 -0.75 4.76 4.72 1nhxA1 ASN 573 HB2 0.04 0.08 0.12 -0.04 2.88 3.08 1nhxA1 ASN 573 HB3 0.03 0.07 0.22 -0.04 2.79 3.07 1nhxA1 ASN 573 HD21 0.05 0.02 0.03 -0.04 7.03 7.09 1nhxA1 ASN 573 HD22 0.06 0.06 0.04 -0.04 7.74 7.86 1nhxA1 MET 574 H 0.00 0.48 0.08 -0.55 8.47 8.49 1nhxA1 MET 574 HA 0.18 0.10 0.29 -0.75 4.52 4.34 1nhxA1 MET 574 HB2 0.05 -0.02 0.12 -0.04 2.15 2.26 1nhxA1 MET 574 HB3 0.06 0.04 -0.01 -0.04 2.03 2.09 1nhxA1 MET 574 HG2 0.06 0.08 0.00 -0.04 2.63 2.74 1nhxA1 MET 574 HG3 0.04 0.01 0.03 -0.04 2.56 2.60 1nhxA1 MET 574 HE3 -0.18 0.01 -0.03 -0.04 2.10 1.85 1nhxA1 MET 575 H 0.07 0.06 -0.16 -0.55 8.47 7.89 1nhxA1 MET 575 HA 0.07 0.14 0.34 -0.75 4.52 4.32 1nhxA1 MET 575 HB2 0.05 -0.00 0.08 -0.04 2.15 2.24 1nhxA1 MET 575 HB3 0.05 -0.04 0.02 -0.04 2.03 2.02 1nhxA1 MET 575 HG2 0.04 0.03 -0.11 -0.04 2.63 2.54 1nhxA1 MET 575 HG3 0.04 0.03 0.00 -0.04 2.56 2.59 1nhxA1 MET 575 HE3 0.03 0.01 -0.04 -0.04 2.10 2.05 1nhxA1 GLU 576 H 0.05 0.06 -0.17 -0.55 8.60 8.00 1nhxA1 GLU 576 HA 0.02 0.08 0.53 -0.75 4.29 4.18 1nhxA1 GLU 576 HB2 0.03 -0.09 0.10 -0.04 2.09 2.09 1nhxA1 GLU 576 HB3 0.02 0.10 -0.04 -0.04 1.99 2.02 1nhxA1 GLU 576 HG2 -0.00 0.05 0.04 -0.04 2.34 2.39 1nhxA1 GLU 576 HG3 0.02 -0.04 0.03 -0.04 2.34 2.30 1nhxA1 LEU 577 H 0.04 0.41 -0.14 -0.55 8.37 8.13 1nhxA1 LEU 577 HA -0.10 0.04 0.26 -0.75 4.35 3.79 1nhxA1 LEU 577 HB2 0.02 0.04 0.01 -0.04 1.64 1.66 1nhxA1 LEU 577 HB3 0.05 0.04 0.07 -0.04 1.64 1.76 1nhxA1 LEU 577 HG -0.82 -0.05 -0.12 -0.04 1.64 0.61 1nhxA1 LEU 577 HD13 -0.18 0.01 -0.01 -0.04 0.93 0.70 1nhxA1 LEU 577 HD23 0.03 0.00 -0.13 -0.04 0.89 0.75 1nhxA1 PHE 578 H 0.14 0.37 -0.40 -0.55 8.34 7.91 1nhxA1 PHE 578 HA -0.06 0.10 0.77 -0.75 4.62 4.68 1nhxA1 PHE 578 HB2 -0.06 0.12 0.07 -0.04 3.15 3.23 1nhxA1 PHE 578 HB3 -0.08 -0.01 0.12 -0.04 3.06 3.05 1nhxA1 PHE 578 HD2 -0.11 0.08 0.05 -0.04 7.28 7.25 1nhxA1 PHE 578 HE2 -0.28 0.08 0.04 -0.04 7.38 7.18 1nhxA1 PHE 578 HZ -0.43 -0.01 -0.01 -0.04 7.32 6.82 1nhxA1 SER 579 H 0.03 0.28 -0.38 -0.55 8.46 7.85 1nhxA1 SER 579 HA 0.05 0.00 0.45 -0.75 4.49 4.24 1nhxA1 SER 579 HB2 0.03 -0.12 0.00 -0.04 3.95 3.82 1nhxA1 SER 579 HB3 0.04 0.21 0.16 -0.04 3.93 4.30 1nhxA1 ILE 580 H 0.03 0.16 0.14 -0.55 8.25 8.03 1nhxA1 ILE 580 HA 0.17 0.23 0.88 -0.75 4.18 4.70 1nhxA1 ILE 580 HB -0.08 -0.03 0.18 -0.04 1.89 1.92 1nhxA1 ILE 580 HG12 -0.21 0.05 -0.04 -0.04 1.49 1.24 1nhxA1 ILE 580 HG13 -0.03 0.15 -0.49 -0.04 1.21 0.81 1nhxA1 ILE 580 HG23 -0.41 -0.03 -0.10 -0.04 0.93 0.35 1nhxA1 ILE 580 HD13 -0.18 -0.03 -0.03 -0.04 0.88 0.60 1nhxA1 SER 581 H 0.31 0.26 0.10 -0.55 8.46 8.58 1nhxA1 SER 581 HA 0.12 0.15 0.74 -0.75 4.49 4.74 1nhxA1 SER 581 HB2 0.10 0.09 0.06 -0.04 3.95 4.15 1nhxA1 SER 581 HB3 0.14 0.12 0.12 -0.04 3.93 4.27 1nhxA1 LYS 582 H 0.10 0.23 0.21 -0.55 8.42 8.41 1nhxA1 LYS 582 HA 0.15 0.14 0.44 -0.75 4.32 4.29 1nhxA1 LYS 582 HB2 0.06 0.08 0.18 -0.04 1.87 2.14 1nhxA1 LYS 582 HB3 0.07 -0.06 0.14 -0.04 1.79 1.90 1nhxA1 LYS 582 HG2 0.06 -0.06 -0.14 -0.04 1.46 1.28 1nhxA1 LYS 582 HG3 0.06 0.17 0.05 -0.04 1.46 1.69 1nhxA1 LYS 582 HD2 0.03 -0.01 0.02 -0.04 1.69 1.69 1nhxA1 LYS 582 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.61 1nhxA1 LYS 582 HE2 0.02 -0.05 -0.03 -0.04 2.99 2.89 1nhxA1 LYS 582 HE3 0.03 0.12 -0.03 -0.04 2.99 3.06 1nhxA1 GLU 583 H 0.10 0.09 -0.07 -0.55 8.60 8.17 1nhxA1 GLU 583 HA 0.05 0.11 0.42 -0.75 4.29 4.11 1nhxA1 GLU 583 HB2 0.05 0.05 0.09 -0.04 2.09 2.23 1nhxA1 GLU 583 HB3 0.08 -0.06 0.08 -0.04 1.99 2.04 1nhxA1 GLU 583 HG2 0.05 0.02 -0.31 -0.04 2.34 2.06 1nhxA1 GLU 583 HG3 0.02 0.01 -0.06 -0.04 2.34 2.27 1nhxA1 PHE 584 H 0.23 0.04 -0.21 -0.55 8.34 7.85 1nhxA1 PHE 584 HA -0.11 0.07 0.40 -0.75 4.62 4.22 1nhxA1 PHE 584 HB2 -0.06 -0.05 0.09 -0.04 3.15 3.09 1nhxA1 PHE 584 HB3 -0.05 0.10 0.12 -0.04 3.06 3.19 1nhxA1 PHE 584 HD2 -0.90 0.01 -0.18 -0.04 7.28 6.16 1nhxA1 PHE 584 HE2 -0.64 0.02 -0.18 -0.04 7.38 6.55 1nhxA1 PHE 584 HZ -0.31 0.07 -0.11 -0.04 7.32 6.92 1nhxA1 TRP 585 H 0.38 0.48 -0.22 -0.55 7.97 8.07 1nhxA1 TRP 585 HA 0.02 0.03 0.35 -0.75 4.62 4.26 1nhxA1 TRP 585 HB2 0.06 0.11 0.06 -0.04 3.23 3.42 1nhxA1 TRP 585 HB3 0.03 -0.00 -0.02 -0.04 3.23 3.20 1nhxA1 TRP 585 HD1 0.13 -0.01 0.05 -0.04 7.22 7.35 1nhxA1 TRP 585 HE1 -0.06 0.42 0.13 -0.04 10.20 10.65 1nhxA1 TRP 585 HE3 0.04 -0.07 -0.03 -0.04 7.59 7.49 1nhxA1 TRP 585 HZ2 -0.08 0.06 -0.06 -0.04 7.44 7.32 1nhxA1 TRP 585 HZ3 0.01 0.01 -0.09 -0.04 7.13 7.02 1nhxA1 TRP 585 HH2 -0.10 0.04 -0.10 -0.04 7.19 7.00 1nhxA1 ASP 586 H 0.13 0.68 -0.05 -0.55 8.40 8.61 1nhxA1 ASP 586 HA 0.07 0.03 0.51 -0.75 4.63 4.48 1nhxA1 ASP 586 HB2 0.03 0.13 0.20 -0.04 2.71 3.02 1nhxA1 ASP 586 HB3 0.01 -0.04 -0.04 -0.04 2.70 2.59 1nhxA1 LYS 587 H -0.11 0.43 -0.18 -0.55 8.42 8.01 1nhxA1 LYS 587 HA -0.10 0.00 0.40 -0.75 4.32 3.87 1nhxA1 LYS 587 HB2 -0.39 0.20 0.14 -0.04 1.87 1.79 1nhxA1 LYS 587 HB3 -0.24 -0.04 -0.00 -0.04 1.79 1.47 1nhxA1 LYS 587 HG2 -0.09 -0.05 0.02 -0.04 1.46 1.30 1nhxA1 LYS 587 HG3 -0.10 0.11 0.08 -0.04 1.46 1.51 1nhxA1 LYS 587 HD2 -0.16 -0.00 -0.01 -0.04 1.69 1.47 1nhxA1 LYS 587 HD3 -0.08 -0.05 -0.02 -0.04 1.68 1.49 1nhxA1 LYS 587 HE2 -0.06 -0.07 -0.19 -0.04 2.99 2.63 1nhxA1 LYS 587 HE3 -0.28 0.11 0.04 -0.04 2.99 2.82 1nhxA1 GLU 588 H -0.39 0.46 -0.08 -0.55 8.60 8.04 1nhxA1 GLU 588 HA -0.37 0.03 0.40 -0.75 4.29 3.59 1nhxA1 GLU 588 HB2 -1.02 0.08 0.04 -0.04 2.09 1.14 1nhxA1 GLU 588 HB3 -0.27 0.05 0.10 -0.04 1.99 1.83 1nhxA1 GLU 588 HG2 -1.12 0.02 -0.09 -0.04 2.34 1.11 1nhxA1 GLU 588 HG3 -0.21 -0.02 -0.16 -0.04 2.34 1.91 1nhxA1 VAL 589 H 0.06 0.67 -0.09 -0.55 8.24 8.32 1nhxA1 VAL 589 HA 0.17 0.02 0.37 -0.75 4.13 3.94 1nhxA1 VAL 589 HB 0.24 0.05 0.06 -0.04 2.12 2.43 1nhxA1 VAL 589 HG13 0.08 0.04 0.04 -0.04 0.97 1.09 1nhxA1 VAL 589 HG23 0.14 -0.03 0.03 -0.04 0.95 1.05 1nhxA1 GLU 590 H 0.00 0.45 -0.25 -0.55 8.60 8.26 1nhxA1 GLU 590 HA 0.03 -0.01 0.47 -0.75 4.29 4.02 1nhxA1 GLU 590 HB2 -0.00 0.07 0.11 -0.04 2.09 2.23 1nhxA1 GLU 590 HB3 -0.03 0.10 0.13 -0.04 1.99 2.15 1nhxA1 GLU 590 HG2 -0.00 -0.02 -0.13 -0.04 2.34 2.15 1nhxA1 GLU 590 HG3 0.00 -0.04 0.03 -0.04 2.34 2.29 1nhxA1 ASP 591 H -0.04 0.62 -0.12 -0.55 8.40 8.32 1nhxA1 ASP 591 HA 0.03 -0.02 0.56 -0.75 4.63 4.46 1nhxA1 ASP 591 HB2 -0.06 -0.01 0.12 -0.04 2.71 2.71 1nhxA1 ASP 591 HB3 -0.07 0.16 0.18 -0.04 2.70 2.93 1nhxA1 ILE 592 H 0.07 0.62 -0.05 -0.55 8.25 8.34 1nhxA1 ILE 592 HA 0.23 0.05 0.37 -0.75 4.18 4.07 1nhxA1 ILE 592 HB 0.20 0.01 0.15 -0.04 1.89 2.22 1nhxA1 ILE 592 HG12 0.04 0.09 0.03 -0.04 1.49 1.61 1nhxA1 ILE 592 HG13 0.04 0.07 0.04 -0.04 1.21 1.31 1nhxA1 ILE 592 HG23 0.20 -0.01 -0.16 -0.04 0.93 0.92 1nhxA1 ILE 592 HD13 0.12 -0.03 -0.15 -0.04 0.88 0.78 1nhxA1 GLU 593 H 0.12 0.79 0.01 -0.55 8.60 8.98 1nhxA1 GLU 593 HA 0.11 -0.04 0.45 -0.75 4.29 4.06 1nhxA1 GLU 593 HB2 0.07 0.02 0.11 -0.04 2.09 2.26 1nhxA1 GLU 593 HB3 0.05 0.09 0.17 -0.04 1.99 2.26 1nhxA1 GLU 593 HG2 0.03 -0.00 -0.23 -0.04 2.34 2.09 1nhxA1 GLU 593 HG3 0.04 -0.07 0.00 -0.04 2.34 2.27 1nhxA1 LYS 594 H 0.06 0.58 -0.19 -0.55 8.42 8.32 1nhxA1 LYS 594 HA 0.02 -0.05 0.36 -0.75 4.32 3.90 1nhxA1 LYS 594 HB2 0.02 -0.06 0.12 -0.04 1.87 1.91 1nhxA1 LYS 594 HB3 0.04 0.23 0.24 -0.04 1.79 2.26 1nhxA1 LYS 594 HG2 0.04 0.02 -0.03 -0.04 1.46 1.45 1nhxA1 LYS 594 HG3 0.02 -0.04 -0.39 -0.04 1.46 1.01 1nhxA1 LYS 594 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 1nhxA1 LYS 594 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.64 1nhxA1 LYS 594 HE2 0.01 0.00 -0.03 -0.04 2.99 2.93 1nhxA1 LYS 594 HE3 0.00 -0.02 -0.06 -0.04 2.99 2.87 1nhxA1 TYR 595 H 0.11 0.61 -0.13 -0.55 8.29 8.33 1nhxA1 TYR 595 HA -0.13 -0.02 0.45 -0.75 4.56 4.11 1nhxA1 TYR 595 HB2 -0.43 0.02 0.14 -0.04 3.06 2.74 1nhxA1 TYR 595 HB3 -0.33 0.14 0.17 -0.04 2.98 2.92 1nhxA1 TYR 595 HD2 -0.25 0.02 -0.03 -0.04 7.15 6.85 1nhxA1 TYR 595 HE2 -0.09 0.02 0.01 -0.04 6.85 6.76 1nhxA1 LEU 596 H 0.11 0.66 -0.03 -0.55 8.37 8.56 1nhxA1 LEU 596 HA -0.05 0.02 0.46 -0.75 4.35 4.02 1nhxA1 LEU 596 HB2 0.11 0.08 0.11 -0.04 1.64 1.90 1nhxA1 LEU 596 HB3 0.08 -0.09 -0.03 -0.04 1.64 1.56 1nhxA1 LEU 596 HG 0.24 0.13 0.02 -0.04 1.64 2.00 1nhxA1 LEU 596 HD13 0.21 -0.02 -0.13 -0.04 0.93 0.95 1nhxA1 LEU 596 HD23 0.29 0.02 -0.03 -0.04 0.89 1.13 1nhxA1 VAL 597 H 0.01 0.74 0.01 -0.55 8.24 8.45 1nhxA1 VAL 597 HA -0.02 0.02 0.51 -0.75 4.13 3.88 1nhxA1 VAL 597 HB -0.00 0.11 0.12 -0.04 2.12 2.30 1nhxA1 VAL 597 HG13 -0.01 -0.02 -0.07 -0.04 0.97 0.83 1nhxA1 VAL 597 HG23 0.01 -0.00 0.04 -0.04 0.95 0.96 1nhxA1 ASP 598 H -0.06 0.62 -0.10 -0.55 8.40 8.31 1nhxA1 ASP 598 HA -0.06 -0.05 0.54 -0.75 4.63 4.31 1nhxA1 ASP 598 HB2 -0.05 0.06 0.18 -0.04 2.71 2.86 1nhxA1 ASP 598 HB3 -0.12 0.11 0.23 -0.04 2.70 2.87 1nhxA1 GLN 599 H -0.25 0.70 0.00 -0.55 8.47 8.37 1nhxA1 GLN 599 HA -0.16 0.03 0.32 -0.75 4.36 3.79 1nhxA1 GLN 599 HB2 -0.62 0.20 0.17 -0.04 2.15 1.87 1nhxA1 GLN 599 HB3 -0.31 -0.09 0.02 -0.04 2.02 1.60 1nhxA1 GLN 599 HG2 -0.43 -0.01 0.08 -0.04 2.40 2.00 1nhxA1 GLN 599 HG3 -1.00 0.00 0.07 -0.04 2.39 1.42 1nhxA1 GLN 599 HE21 -0.07 0.19 -0.04 -0.04 6.97 7.01 1nhxA1 GLN 599 HE22 -0.12 -0.01 -0.05 -0.04 7.69 7.48 1nhxA1 VAL 600 H -0.11 0.49 -0.06 -0.55 8.24 8.01 1nhxA1 VAL 600 HA -0.06 0.05 0.64 -0.75 4.13 4.01 1nhxA1 VAL 600 HB -0.06 0.13 0.02 -0.04 2.12 2.17 1nhxA1 VAL 600 HG13 -0.15 -0.08 -0.23 -0.04 0.97 0.47 1nhxA1 VAL 600 HG23 0.04 0.00 -0.01 -0.04 0.95 0.94 1nhxA1 ASN 601 H -0.06 0.30 -0.08 -0.55 8.53 8.14 1nhxA1 ASN 601 HA -0.04 0.20 0.40 -0.75 4.76 4.57 1nhxA1 ASN 601 HB2 -0.06 0.13 -0.18 -0.04 2.88 2.72 1nhxA1 ASN 601 HB3 -0.05 -0.03 -0.08 -0.04 2.79 2.58 1nhxA1 ASN 601 HD21 -0.03 -0.09 -0.08 -0.04 7.03 6.79 1nhxA1 ASN 601 HD22 -0.04 0.51 -0.21 -0.04 7.74 7.96 1nhxA1 ALA 602 H -0.05 0.21 0.21 -0.55 8.40 8.23 1nhxA1 ALA 602 HA -0.03 0.07 0.39 -0.75 4.34 4.01 1nhxA1 ALA 602 HB3 -0.04 -0.01 0.13 -0.04 1.41 1.46 1nhxA1 ASP 603 H -0.05 0.59 -0.29 -0.55 8.40 8.09 1nhxA1 ASP 603 HA -0.04 0.18 0.73 -0.75 4.63 4.74 1nhxA1 ASP 603 HB2 -0.07 0.14 0.10 -0.04 2.71 2.84 1nhxA1 ASP 603 HB3 -0.07 -0.17 0.10 -0.04 2.70 2.52 1nhxA1 LEU 604 H -0.05 0.41 -0.42 -0.55 8.37 7.76 1nhxA1 LEU 604 HA -0.09 0.07 0.50 -0.75 4.35 4.07 1nhxA1 LEU 604 HB2 -0.05 0.01 -0.08 -0.04 1.64 1.48 1nhxA1 LEU 604 HB3 -0.03 0.02 0.03 -0.04 1.64 1.62 1nhxA1 LEU 604 HG -0.01 0.01 -0.18 -0.04 1.64 1.42 1nhxA1 LEU 604 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.81 1nhxA1 LEU 604 HD23 0.01 -0.00 -0.20 -0.04 0.89 0.66 1nhxA1 PRO 605 HA -0.00 0.10 0.45 -0.51 4.44 4.48 1nhxA1 PRO 605 HB2 0.02 -0.19 0.03 -0.04 2.28 2.09 1nhxA1 PRO 605 HB3 0.02 0.05 0.10 -0.04 2.02 2.15 1nhxA1 PRO 605 HG2 -0.03 -0.02 -0.06 -0.04 2.03 1.89 1nhxA1 PRO 605 HG3 -0.02 0.17 0.11 -0.04 2.03 2.25 1nhxA1 PRO 605 HD2 -0.08 -0.01 0.21 -0.04 3.68 3.76 1nhxA1 PRO 605 HD3 -0.11 0.38 0.43 -0.04 3.65 4.30 1nhxA1 CYS 606 H 0.01 0.21 0.17 -0.55 8.50 8.34 1nhxA1 CYS 606 HA 0.00 0.12 0.43 -0.75 4.58 4.38 1nhxA1 CYS 606 HB2 0.01 0.01 0.06 -0.04 2.97 3.00 1nhxA1 CYS 606 HB3 0.00 0.09 0.12 -0.04 2.97 3.15 1nhxA1 GLU 607 H 0.03 0.12 -0.21 -0.55 8.60 7.99 1nhxA1 GLU 607 HA 0.03 0.09 0.45 -0.75 4.29 4.10 1nhxA1 GLU 607 HB2 0.07 0.03 0.02 -0.04 2.09 2.16 1nhxA1 GLU 607 HB3 0.08 0.01 -0.03 -0.04 1.99 2.02 1nhxA1 GLU 607 HG2 0.07 0.01 0.01 -0.04 2.34 2.39 1nhxA1 GLU 607 HG3 0.05 -0.05 -0.00 -0.04 2.34 2.30 1nhxA1 ILE 608 H 0.03 0.26 -0.36 -0.55 8.25 7.64 1nhxA1 ILE 608 HA 0.07 0.08 0.56 -0.75 4.18 4.15 1nhxA1 ILE 608 HB 0.04 0.14 0.01 -0.04 1.89 2.03 1nhxA1 ILE 608 HG12 0.04 -0.10 -0.03 -0.04 1.49 1.36 1nhxA1 ILE 608 HG13 0.01 0.07 -0.02 -0.04 1.21 1.22 1nhxA1 ILE 608 HG23 0.20 0.00 -0.08 -0.04 0.93 1.02 1nhxA1 ILE 608 HD13 0.12 0.02 -0.14 -0.04 0.88 0.83 1nhxA1 GLU 609 H 0.01 0.42 -0.13 -0.55 8.60 8.35 1nhxA1 GLU 609 HA 0.00 0.03 0.39 -0.75 4.29 3.96 1nhxA1 GLU 609 HB2 -0.00 0.11 0.13 -0.04 2.09 2.29 1nhxA1 GLU 609 HB3 -0.01 -0.03 0.01 -0.04 1.99 1.92 1nhxA1 GLU 609 HG2 0.00 -0.02 -0.03 -0.04 2.34 2.24 1nhxA1 GLU 609 HG3 0.00 0.18 -0.11 -0.04 2.34 2.36 1nhxA1 ARG 610 H -0.01 0.50 -0.30 -0.55 8.46 8.10 1nhxA1 ARG 610 HA -0.04 0.02 0.39 -0.75 4.34 3.96 1nhxA1 ARG 610 HB2 -0.00 0.08 0.13 -0.04 1.90 2.06 1nhxA1 ARG 610 HB3 -0.02 -0.04 -0.01 -0.04 1.80 1.69 1nhxA1 ARG 610 HG2 -0.01 -0.04 -0.00 -0.04 1.67 1.57 1nhxA1 ARG 610 HG3 -0.00 0.17 0.01 -0.04 1.67 1.81 1nhxA1 ARG 610 HD2 -0.00 -0.01 -0.02 -0.04 3.22 3.14 1nhxA1 ARG 610 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.13 1nhxA1 GLU 611 H -0.07 0.38 -0.26 -0.55 8.60 8.10 1nhxA1 GLU 611 HA -0.18 -0.00 0.47 -0.75 4.29 3.83 1nhxA1 GLU 611 HB2 -0.22 0.10 0.13 -0.04 2.09 2.05 1nhxA1 GLU 611 HB3 -0.44 -0.03 0.00 -0.04 1.99 1.48 1nhxA1 GLU 611 HG2 0.00 0.31 0.03 -0.04 2.34 2.65 1nhxA1 GLU 611 HG3 0.08 0.09 -0.26 -0.04 2.34 2.21 1nhxA1 ILE 612 H -0.22 0.65 -0.10 -0.55 8.25 8.04 1nhxA1 ILE 612 HA -0.32 0.03 0.49 -0.75 4.18 3.62 1nhxA1 ILE 612 HB -0.03 0.14 0.15 -0.04 1.89 2.11 1nhxA1 ILE 612 HG12 0.28 -0.03 -0.04 -0.04 1.49 1.66 1nhxA1 ILE 612 HG13 0.05 0.10 0.01 -0.04 1.21 1.33 1nhxA1 ILE 612 HG23 0.04 -0.02 -0.09 -0.04 0.93 0.82 1nhxA1 ILE 612 HD13 0.11 -0.02 -0.10 -0.04 0.88 0.83 1nhxA1 LEU 613 H -0.09 0.49 -0.18 -0.55 8.37 8.05 1nhxA1 LEU 613 HA -0.04 0.02 0.40 -0.75 4.35 3.98 1nhxA1 LEU 613 HB2 -0.03 0.04 0.09 -0.04 1.64 1.70 1nhxA1 LEU 613 HB3 -0.05 0.08 0.12 -0.04 1.64 1.76 1nhxA1 LEU 613 HG -0.03 -0.03 -0.18 -0.04 1.64 1.36 1nhxA1 LEU 613 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.87 1nhxA1 LEU 613 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.79 1nhxA1 ALA 614 H -0.10 0.66 -0.01 -0.55 8.40 8.40 1nhxA1 ALA 614 HA -0.07 -0.02 0.49 -0.75 4.34 3.99 1nhxA1 ALA 614 HB3 -0.11 0.02 0.09 -0.04 1.41 1.37 1nhxA1 LEU 615 H -0.17 0.54 -0.26 -0.55 8.37 7.94 1nhxA1 LEU 615 HA -0.10 0.09 0.47 -0.75 4.35 4.06 1nhxA1 LEU 615 HB2 -0.12 0.04 0.11 -0.04 1.64 1.64 1nhxA1 LEU 615 HB3 -0.06 0.11 0.15 -0.04 1.64 1.80 1nhxA1 LEU 615 HG 0.12 -0.05 -0.19 -0.04 1.64 1.47 1nhxA1 LEU 615 HD13 -0.07 -0.02 -0.03 -0.04 0.93 0.77 1nhxA1 LEU 615 HD23 0.43 -0.01 -0.04 -0.04 0.89 1.23 1nhxA1 LYS 616 H -0.04 0.48 -0.11 -0.55 8.42 8.20 1nhxA1 LYS 616 HA 0.03 -0.01 0.42 -0.75 4.32 4.00 1nhxA1 LYS 616 HB2 -0.01 0.15 0.22 -0.04 1.87 2.19 1nhxA1 LYS 616 HB3 -0.00 -0.01 -0.02 -0.04 1.79 1.71 1nhxA1 LYS 616 HG2 0.02 -0.04 0.01 -0.04 1.46 1.40 1nhxA1 LYS 616 HG3 0.04 -0.03 0.03 -0.04 1.46 1.46 1nhxA1 LYS 616 HD2 0.03 -0.03 -0.07 -0.04 1.69 1.57 1nhxA1 LYS 616 HD3 0.02 0.10 -0.07 -0.04 1.68 1.68 1nhxA1 LYS 616 HE2 -0.00 0.00 -0.03 -0.04 2.99 2.91 1nhxA1 LYS 616 HE3 0.00 -0.02 -0.03 -0.04 2.99 2.90 1nhxA1 GLN 617 H -0.04 0.57 -0.17 -0.55 8.47 8.28 1nhxA1 GLN 617 HA -0.02 -0.00 0.43 -0.75 4.36 4.01 1nhxA1 GLN 617 HB2 -0.04 0.10 0.16 -0.04 2.15 2.32 1nhxA1 GLN 617 HB3 -0.03 -0.05 0.01 -0.04 2.02 1.91 1nhxA1 GLN 617 HG2 -0.02 -0.06 -0.00 -0.04 2.40 2.28 1nhxA1 GLN 617 HG3 -0.03 0.18 0.04 -0.04 2.39 2.54 1nhxA1 GLN 617 HE21 -0.02 -0.03 -0.05 -0.04 6.97 6.83 1nhxA1 GLN 617 HE22 -0.02 -0.02 -0.04 -0.04 7.69 7.57 1nhxA1 ARG 618 H -0.06 0.66 -0.04 -0.55 8.46 8.47 1nhxA1 ARG 618 HA -0.05 -0.01 0.42 -0.75 4.34 3.95 1nhxA1 ARG 618 HB2 -0.10 0.16 0.24 -0.04 1.90 2.16 1nhxA1 ARG 618 HB3 -0.11 -0.11 0.07 -0.04 1.80 1.62 1nhxA1 ARG 618 HG2 -0.08 -0.09 0.04 -0.04 1.67 1.50 1nhxA1 ARG 618 HG3 -0.10 0.16 0.10 -0.04 1.67 1.79 1nhxA1 ARG 618 HD2 -0.15 -0.04 0.01 -0.04 3.22 3.00 1nhxA1 ARG 618 HD3 -0.14 -0.09 -0.02 -0.04 3.22 2.93 1nhxA1 ILE 619 H -0.02 0.62 -0.19 -0.55 8.25 8.11 1nhxA1 ILE 619 HA -0.02 -0.02 0.45 -0.75 4.18 3.84 1nhxA1 ILE 619 HB 0.04 0.13 0.11 -0.04 1.89 2.14 1nhxA1 ILE 619 HG12 0.02 -0.11 -0.07 -0.04 1.49 1.29 1nhxA1 ILE 619 HG13 -0.02 0.18 0.00 -0.04 1.21 1.34 1nhxA1 ILE 619 HG23 0.09 -0.04 -0.15 -0.04 0.93 0.79 1nhxA1 ILE 619 HD13 0.21 -0.03 -0.22 -0.04 0.88 0.80 1nhxA1 SER 620 H -0.00 0.54 -0.16 -0.55 8.46 8.29 1nhxA1 SER 620 HA 0.01 -0.04 0.32 -0.75 4.49 4.02 1nhxA1 SER 620 HB2 0.00 -0.10 0.10 -0.04 3.95 3.91 1nhxA1 SER 620 HB3 0.00 0.07 0.14 -0.04 3.93 4.10 1nhxA1 GLN 621 H -0.01 0.33 -0.59 -0.55 8.47 7.66 1nhxA1 GLN 621 HA -0.01 0.07 0.59 -0.75 4.36 4.27 1nhxA1 GLN 621 HB2 -0.02 0.08 0.06 -0.04 2.15 2.23 1nhxA1 GLN 621 HB3 -0.02 0.07 0.02 -0.04 2.02 2.04 1nhxA1 GLN 621 HG2 -0.01 -0.04 0.03 -0.04 2.40 2.33 1nhxA1 GLN 621 HG3 -0.01 -0.02 0.15 -0.04 2.39 2.47 1nhxA1 GLN 621 HE21 -0.01 -0.04 -0.00 -0.04 6.97 6.88 1nhxA1 GLN 621 HE22 -0.01 -0.02 0.01 -0.04 7.69 7.64 1nhxA1 MET 622 H -0.00 0.47 -0.33 -0.55 8.47 8.05 1nhxA1 MET 622 HA -0.01 0.16 0.62 -0.75 4.52 4.54 1nhxA1 MET 622 HB2 -0.01 -0.06 0.10 -0.04 2.15 2.14 1nhxA1 MET 622 HB3 -0.03 0.06 0.06 -0.04 2.03 2.08 1nhxA1 MET 622 HG2 0.01 0.65 0.25 -0.04 2.63 3.50 1nhxA1 MET 622 HG3 0.02 -0.17 0.11 -0.04 2.56 2.49 1nhxA1 MET 622 HE3 -0.00 0.00 -0.02 -0.04 2.10 2.04