============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 10 0.900 95.961 -48.507-105.976 -99.200 -91.000 PHE 58 1.000 41.297 -30.647 -88.205 -99.200 -91.000 TYR 60 0.840 34.542 -21.945 -85.158 -99.200 -91.000 TYR 62 0.840 33.829 -29.903 -77.778 -99.200 -91.000 TRP 68 1.040 22.416 -29.771 -82.370 -99.200 -91.000 TRP6 68 1.020 20.560 -30.322 -83.724 -99.200 -91.000 TYR 85 0.840 -2.016 -24.478 -74.373 -99.200 -91.000 HIS 92 0.900 -9.969 -27.612 -69.296 -99.200 -91.000 TYR 95 0.840 -16.336 -31.310 -68.085 -99.200 -91.000 TYR 135 0.840 -72.436 -29.235 -62.320 -99.200 -91.000 TYR 168 0.840 -84.286 -45.729 -34.756 -99.200 -91.000 TYR 179 0.840 -78.949 -34.832 -29.567 -99.200 -91.000 TYR 182 0.840 -77.569 -44.915 -39.218 -99.200 -91.000 TRP 192 1.040 -73.218 -50.944 -31.045 -99.200 -91.000 TRP6 192 1.020 -71.523 -50.285 -29.558 -99.200 -91.000 PHE 205 1.000 -65.735 -35.904 -40.914 -99.200 -91.000 TRP 209 1.040 -63.584 -25.199 -29.086 -99.200 -91.000 TRP6 209 1.020 -62.291 -27.056 -28.443 -99.200 -91.000 TYR 212 0.840 -63.729 -31.504 -35.662 -99.200 -91.000 PHE 216 1.000 -67.591 -31.770 -38.713 -99.200 -91.000 TYR 228 0.840 -86.737 -46.496 -43.380 -99.200 -91.000 TYR 235 0.840 -73.298 -38.492 -37.348 -99.200 -91.000 TRP 236 1.040 -67.173 -34.386 -34.044 -99.200 -91.000 TRP6 236 1.020 -65.984 -36.328 -33.409 -99.200 -91.000 TRP 260 1.040 -59.574 -46.985 -49.585 -99.200 -91.000 TRP6 260 1.020 -61.061 -45.676 -50.847 -99.200 -91.000 HIS 268 0.900 -66.177 -54.135 -28.900 -99.200 -91.000 TYR 269 0.840 -60.062 -48.441 -27.150 -99.200 -91.000 PHE 272 1.000 -65.637 -42.160 -25.973 -99.200 -91.000 TYR 281 0.840 -65.667 -30.321 -25.944 -99.200 -91.000 TYR 288 0.840 -57.579 -52.914 -28.214 -99.200 -91.000 HIS 313 0.900 -54.516 -40.554 -30.432 -99.200 -91.000 PHE 317 1.000 -55.878 -31.488 -21.898 -99.200 -91.000 PHE 318 1.000 -61.941 -32.666 -30.591 -99.200 -91.000 TYR 321 0.840 -58.657 -24.587 -39.428 -99.200 -91.000 TRP 328 1.040 -45.066 -30.415 -32.296 -99.200 -91.000 TRP6 328 1.020 -45.815 -30.236 -34.524 -99.200 -91.000 TRP 345 1.040 -57.798 -37.905 -32.761 -99.200 -91.000 TRP6 345 1.020 -59.838 -39.052 -32.904 -99.200 -91.000 TRP 346 1.040 -60.268 -36.258 -27.381 -99.200 -91.000 TRP6 346 1.020 -62.008 -37.126 -28.697 -99.200 -91.000 TYR 347 0.840 -54.888 -34.344 -34.396 -99.200 -91.000 HIS 351 0.900 -51.960 -39.306 -36.784 -99.200 -91.000 TYR 359 0.840 -62.967 -41.588 -47.863 -99.200 -91.000 TYR 360 0.840 -54.750 -38.150 -48.518 -99.200 -91.000 TRP 361 1.040 -61.482 -43.157 -54.769 -99.200 -91.000 TRP6 361 1.020 -63.603 -42.719 -53.846 -99.200 -91.000 TYR 365 0.840 -51.877 -40.710 -46.555 -99.200 -91.000 TRP 367 1.040 -42.795 -37.779 -49.296 -99.200 -91.000 TRP6 367 1.020 -41.959 -35.677 -49.971 -99.200 -91.000 HIS 372 0.900 -49.720 -27.616 -43.853 -99.200 -91.000 TRP 380 1.040 -56.319 -48.311 -35.441 -99.200 -91.000 TRP6 380 1.020 -57.710 -47.050 -34.022 -99.200 -91.000 TRP 383 1.040 -55.784 -53.323 -40.086 -99.200 -91.000 TRP6 383 1.020 -57.497 -52.515 -41.502 -99.200 -91.000 TRP 387 1.040 -46.764 -42.469 -44.756 -99.200 -91.000 TRP6 387 1.020 -47.140 -40.212 -45.316 -99.200 -91.000 TYR 388 0.840 -55.051 -48.522 -46.883 -99.200 -91.000 PHE 400 1.000 -69.324 -52.170 -19.266 -99.200 -91.000 PHE 401 1.000 -78.357 -51.753 -19.367 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ghgH1 LYS 58 HA 0.00 -0.09 0.19 -0.75 4.32 3.67 3ghgH1 LYS 58 HB2 0.00 -0.04 0.07 -0.04 1.87 1.85 3ghgH1 LYS 58 HB3 0.00 0.06 -0.02 -0.04 1.79 1.79 3ghgH1 LYS 58 HG2 0.00 -0.04 0.11 -0.04 1.46 1.49 3ghgH1 LYS 58 HG3 0.00 -0.04 0.09 -0.04 1.46 1.47 3ghgH1 LYS 58 HD2 0.00 -0.04 0.04 -0.04 1.69 1.65 3ghgH1 LYS 58 HD3 0.00 0.03 0.03 -0.04 1.68 1.70 3ghgH1 LYS 58 HE2 0.00 0.09 0.08 -0.04 2.99 3.12 3ghgH1 LYS 58 HE3 0.00 -0.05 0.04 -0.04 2.99 2.95 3ghgH1 ALA 59 H 0.00 0.02 0.09 -0.55 8.40 7.97 3ghgH1 ALA 59 HA 0.00 0.17 0.59 -0.75 4.34 4.35 3ghgH1 ALA 59 HB3 0.00 -0.00 0.07 -0.04 1.41 1.44 3ghgH1 PRO 60 HA 0.00 0.15 0.58 -0.51 4.44 4.65 3ghgH1 PRO 60 HB2 0.00 0.01 0.22 -0.04 2.28 2.47 3ghgH1 PRO 60 HB3 0.00 0.04 0.11 -0.04 2.02 2.12 3ghgH1 PRO 60 HG2 0.00 0.02 0.09 -0.04 2.03 2.10 3ghgH1 PRO 60 HG3 0.00 0.03 0.09 -0.04 2.03 2.11 3ghgH1 PRO 60 HD2 0.00 0.07 0.10 -0.04 3.68 3.81 3ghgH1 PRO 60 HD3 0.00 0.13 0.17 -0.04 3.65 3.91 3ghgH1 ASP 61 H 0.00 0.55 -0.31 -0.55 8.40 8.10 3ghgH1 ASP 61 HA 0.00 0.13 0.77 -0.75 4.63 4.78 3ghgH1 ASP 61 HB2 0.00 -0.06 -0.08 -0.04 2.71 2.53 3ghgH1 ASP 61 HB3 0.00 -0.00 -0.05 -0.04 2.70 2.60 3ghgH1 ALA 62 H 0.00 0.32 0.10 -0.55 8.40 8.28 3ghgH1 ALA 62 HA 0.00 0.06 0.65 -0.75 4.34 4.30 3ghgH1 ALA 62 HB3 0.00 0.03 -0.06 -0.04 1.41 1.35 3ghgH1 GLY 63 H 0.00 0.05 0.16 -0.55 8.43 8.10 3ghgH1 GLY 63 HA2 0.00 0.01 0.31 -0.51 4.01 3.82 3ghgH1 GLY 63 HA3 0.00 0.18 0.94 -0.51 4.01 4.63 3ghgH1 GLY 64 H 0.01 0.10 0.23 -0.55 8.43 8.22 3ghgH1 GLY 64 HA2 0.01 0.22 0.76 -0.51 4.01 4.49 3ghgH1 GLY 64 HA3 0.01 0.09 0.34 -0.51 4.01 3.94 3ghgH1 CYS 65 H 0.02 0.21 0.25 -0.55 8.50 8.44 3ghgH1 CYS 65 HA 0.01 0.13 0.50 -0.75 4.58 4.47 3ghgH1 CYS 65 HB2 0.02 -0.08 0.11 -0.04 2.97 2.98 3ghgH1 CYS 65 HB3 0.01 0.12 -0.00 -0.04 2.97 3.06 3ghgH1 LEU 66 H 0.02 0.21 0.07 -0.55 8.37 8.11 3ghgH1 LEU 66 HA 0.04 0.14 0.73 -0.75 4.35 4.50 3ghgH1 LEU 66 HB2 0.01 0.01 -0.06 -0.04 1.64 1.56 3ghgH1 LEU 66 HB3 0.01 -0.02 0.13 -0.04 1.64 1.72 3ghgH1 LEU 66 HG 0.02 0.00 0.01 -0.04 1.64 1.63 3ghgH1 LEU 66 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 3ghgH1 LEU 66 HD23 0.01 0.03 -0.26 -0.04 0.89 0.64 3ghgH1 HIS 67 H 0.13 0.24 0.04 -0.55 8.41 8.27 3ghgH1 HIS 67 HA -0.00 0.08 0.47 -0.75 4.63 4.43 3ghgH1 HIS 67 HB2 -0.00 0.14 0.05 -0.04 3.26 3.42 3ghgH1 HIS 67 HB3 -0.00 -0.08 0.04 -0.04 3.20 3.12 3ghgH1 HIS 67 HD2 -0.00 0.02 -0.03 -0.04 6.97 6.92 3ghgH1 HIS 67 HE1 -0.00 0.04 -0.03 -0.04 7.75 7.71 3ghgH1 ALA 68 H -0.47 0.14 0.10 -0.55 8.40 7.62 3ghgH1 ALA 68 HA -0.01 0.16 0.61 -0.75 4.34 4.35 3ghgH1 ALA 68 HB3 -0.09 0.01 0.17 -0.04 1.41 1.46 3ghgH1 ASP 69 H 0.10 0.53 -0.47 -0.55 8.40 8.02 3ghgH1 ASP 69 HA 0.06 0.18 0.58 -0.75 4.63 4.71 3ghgH1 ASP 69 HB2 0.24 0.17 -0.29 -0.04 2.71 2.79 3ghgH1 ASP 69 HB3 0.14 -0.15 -0.03 -0.04 2.70 2.62 3ghgH1 PRO 70 HA 0.02 0.11 0.44 -0.51 4.44 4.50 3ghgH1 PRO 70 HB2 0.01 0.04 -0.03 -0.04 2.28 2.26 3ghgH1 PRO 70 HB3 0.01 0.06 0.10 -0.04 2.02 2.15 3ghgH1 PRO 70 HG2 0.01 0.06 0.06 -0.04 2.03 2.12 3ghgH1 PRO 70 HG3 0.01 0.06 0.05 -0.04 2.03 2.12 3ghgH1 PRO 70 HD2 0.02 0.10 0.18 -0.04 3.68 3.94 3ghgH1 PRO 70 HD3 0.03 0.15 0.10 -0.04 3.65 3.89 3ghgH1 ASP 71 H 0.01 -0.05 -0.55 -0.55 8.40 7.26 3ghgH1 ASP 71 HA -0.00 0.15 0.45 -0.75 4.63 4.47 3ghgH1 ASP 71 HB2 -0.02 -0.10 0.07 -0.04 2.71 2.62 3ghgH1 ASP 71 HB3 -0.02 0.05 -0.02 -0.04 2.70 2.67 3ghgH1 LEU 72 H -0.04 -0.00 -0.04 -0.55 8.37 7.74 3ghgH1 LEU 72 HA -0.06 0.09 0.17 -0.75 4.35 3.80 3ghgH1 LEU 72 HB2 -0.23 -0.08 0.07 -0.04 1.64 1.36 3ghgH1 LEU 72 HB3 -0.17 0.06 -0.10 -0.04 1.64 1.39 3ghgH1 LEU 72 HG -0.16 -0.06 -0.00 -0.04 1.64 1.38 3ghgH1 LEU 72 HD13 -0.60 -0.00 -0.02 -0.04 0.93 0.27 3ghgH1 LEU 72 HD23 -0.11 0.01 -0.03 -0.04 0.89 0.72 3ghgH1 GLY 73 H 0.03 0.14 -0.10 -0.55 8.43 7.96 3ghgH1 GLY 73 HA2 0.04 -0.02 0.31 -0.51 4.01 3.84 3ghgH1 GLY 73 HA3 0.02 0.08 0.27 -0.51 4.01 3.87 3ghgH1 VAL 74 H 0.01 0.11 0.20 -0.55 8.24 8.00 3ghgH1 VAL 74 HA 0.02 0.15 0.72 -0.75 4.13 4.27 3ghgH1 VAL 74 HB 0.01 -0.03 0.23 -0.04 2.12 2.29 3ghgH1 VAL 74 HG13 0.01 -0.03 -0.07 -0.04 0.97 0.84 3ghgH1 VAL 74 HG23 0.01 0.01 0.09 -0.04 0.95 1.02 3ghgH1 LEU 75 H 0.02 0.02 0.26 -0.55 8.37 8.13 3ghgH1 LEU 75 HA -0.00 0.17 0.73 -0.75 4.35 4.49 3ghgH1 LEU 75 HB2 0.02 -0.07 0.01 -0.04 1.64 1.55 3ghgH1 LEU 75 HB3 0.00 -0.02 0.09 -0.04 1.64 1.67 3ghgH1 LEU 75 HG 0.01 0.07 -0.04 -0.04 1.64 1.65 3ghgH1 LEU 75 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.82 3ghgH1 LEU 75 HD23 -0.04 0.02 -0.12 -0.04 0.89 0.71 3ghgH1 CYS 76 H -0.00 0.21 0.17 -0.55 8.50 8.33 3ghgH1 CYS 76 HA 0.00 0.38 0.78 -0.75 4.58 4.99 3ghgH1 CYS 76 HB2 -0.00 -0.07 0.02 -0.04 2.97 2.88 3ghgH1 CYS 76 HB3 0.00 0.05 0.01 -0.04 2.97 2.99 3ghgH1 PRO 77 HA 0.00 -0.06 0.27 -0.51 4.44 4.14 3ghgH1 PRO 77 HB2 0.00 0.01 -0.00 -0.04 2.28 2.25 3ghgH1 PRO 77 HB3 0.00 -0.00 0.12 -0.04 2.02 2.10 3ghgH1 PRO 77 HG2 0.00 0.02 0.09 -0.04 2.03 2.11 3ghgH1 PRO 77 HG3 0.00 0.07 0.14 -0.04 2.03 2.20 3ghgH1 PRO 77 HD2 0.00 0.08 0.23 -0.04 3.68 3.96 3ghgH1 PRO 77 HD3 0.00 0.43 0.33 -0.04 3.65 4.37 3ghgH1 THR 78 H 0.00 0.02 0.17 -0.55 8.28 7.92 3ghgH1 THR 78 HA -0.00 0.22 0.45 -0.75 4.39 4.31 3ghgH1 THR 78 HB -0.00 -0.11 0.22 -0.04 4.32 4.38 3ghgH1 THR 78 HG23 -0.00 0.05 0.09 -0.04 1.22 1.32 3ghgH1 GLY 79 H -0.00 0.19 0.19 -0.55 8.43 8.26 3ghgH1 GLY 79 HA2 0.00 0.17 0.64 -0.51 4.01 4.31 3ghgH1 GLY 79 HA3 -0.00 0.10 0.40 -0.51 4.01 4.00 3ghgH1 CYS 80 H 0.00 0.15 0.03 -0.55 8.50 8.13 3ghgH1 CYS 80 HA 0.00 0.07 0.23 -0.75 4.58 4.13 3ghgH1 CYS 80 HB2 0.00 0.00 0.02 -0.04 2.97 2.95 3ghgH1 CYS 80 HB3 0.00 0.07 0.05 -0.04 2.97 3.05 3ghgH1 GLN 81 H 0.00 -0.02 -0.49 -0.55 8.47 7.42 3ghgH1 GLN 81 HA 0.00 0.10 0.59 -0.75 4.36 4.30 3ghgH1 GLN 81 HB2 0.00 -0.10 0.07 -0.04 2.15 2.08 3ghgH1 GLN 81 HB3 0.00 0.12 -0.07 -0.04 2.02 2.04 3ghgH1 GLN 81 HG2 0.00 -0.03 0.02 -0.04 2.40 2.35 3ghgH1 GLN 81 HG3 0.00 -0.02 0.06 -0.04 2.39 2.39 3ghgH1 GLN 81 HE21 0.00 0.03 0.00 -0.04 6.97 6.97 3ghgH1 GLN 81 HE22 0.00 0.02 -0.00 -0.04 7.69 7.67 3ghgH1 LEU 82 H 0.00 0.47 -0.11 -0.55 8.37 8.18 3ghgH1 LEU 82 HA 0.00 0.08 0.46 -0.75 4.35 4.13 3ghgH1 LEU 82 HB2 0.00 0.10 0.25 -0.04 1.64 1.94 3ghgH1 LEU 82 HB3 0.00 -0.03 0.01 -0.04 1.64 1.58 3ghgH1 LEU 82 HG 0.00 0.00 -0.01 -0.04 1.64 1.59 3ghgH1 LEU 82 HD13 0.00 0.01 -0.00 -0.04 0.93 0.89 3ghgH1 LEU 82 HD23 0.00 -0.00 0.01 -0.04 0.89 0.86 3ghgH1 GLN 83 H 0.00 0.78 0.08 -0.55 8.47 8.78 3ghgH1 GLN 83 HA 0.00 0.06 0.33 -0.75 4.36 4.00 3ghgH1 GLN 83 HB2 0.00 0.00 0.05 -0.04 2.15 2.16 3ghgH1 GLN 83 HB3 0.00 0.01 0.04 -0.04 2.02 2.03 3ghgH1 GLN 83 HG2 0.00 -0.08 -0.18 -0.04 2.40 2.09 3ghgH1 GLN 83 HG3 0.00 0.01 -0.02 -0.04 2.39 2.34 3ghgH1 GLN 83 HE21 0.00 0.02 -0.05 -0.04 6.97 6.90 3ghgH1 GLN 83 HE22 0.00 -0.06 -0.05 -0.04 7.69 7.54 3ghgH1 GLU 84 H 0.00 0.34 -0.41 -0.55 8.60 7.98 3ghgH1 GLU 84 HA 0.00 0.08 0.74 -0.75 4.29 4.35 3ghgH1 GLU 84 HB2 0.00 0.06 0.15 -0.04 2.09 2.26 3ghgH1 GLU 84 HB3 0.00 0.06 0.14 -0.04 1.99 2.15 3ghgH1 GLU 84 HG2 0.00 -0.01 0.00 -0.04 2.34 2.30 3ghgH1 GLU 84 HG3 0.00 -0.02 -0.06 -0.04 2.34 2.23 3ghgH1 ALA 85 H 0.00 0.55 -0.02 -0.55 8.40 8.38 3ghgH1 ALA 85 HA 0.00 0.01 0.48 -0.75 4.34 4.08 3ghgH1 ALA 85 HB3 0.00 0.00 0.15 -0.04 1.41 1.53 3ghgH1 LEU 86 H 0.00 0.25 -0.52 -0.55 8.37 7.56 3ghgH1 LEU 86 HA 0.00 0.12 0.76 -0.75 4.35 4.48 3ghgH1 LEU 86 HB2 0.00 0.11 0.06 -0.04 1.64 1.78 3ghgH1 LEU 86 HB3 0.00 -0.02 0.11 -0.04 1.64 1.69 3ghgH1 LEU 86 HG 0.00 -0.02 0.00 -0.04 1.64 1.58 3ghgH1 LEU 86 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.85 3ghgH1 LEU 86 HD23 0.00 -0.02 -0.21 -0.04 0.89 0.62 3ghgH1 LEU 87 H 0.00 0.46 -0.03 -0.55 8.37 8.25 3ghgH1 LEU 87 HA 0.00 -0.01 0.36 -0.75 4.35 3.94 3ghgH1 LEU 87 HB2 0.00 0.25 0.28 -0.04 1.64 2.13 3ghgH1 LEU 87 HB3 0.00 0.04 0.10 -0.04 1.64 1.74 3ghgH1 LEU 87 HG 0.00 -0.04 0.11 -0.04 1.64 1.67 3ghgH1 LEU 87 HD13 0.00 0.00 0.04 -0.04 0.93 0.93 3ghgH1 LEU 87 HD23 0.00 -0.03 0.06 -0.04 0.89 0.87 3ghgH1 GLN 88 H 0.00 0.40 -0.47 -0.55 8.47 7.85 3ghgH1 GLN 88 HA 0.00 0.02 0.50 -0.75 4.36 4.12 3ghgH1 GLN 88 HB2 0.00 0.12 -0.01 -0.04 2.15 2.22 3ghgH1 GLN 88 HB3 0.00 -0.04 0.02 -0.04 2.02 1.97 3ghgH1 GLN 88 HG2 0.00 -0.06 0.04 -0.04 2.40 2.34 3ghgH1 GLN 88 HG3 0.00 0.12 0.06 -0.04 2.39 2.53 3ghgH1 GLN 88 HE21 0.00 -0.04 -0.08 -0.04 6.97 6.81 3ghgH1 GLN 88 HE22 0.00 -0.03 -0.11 -0.04 7.69 7.52 3ghgH1 GLN 89 H 0.00 0.60 -0.30 -0.55 8.47 8.23 3ghgH1 GLN 89 HA 0.00 0.12 0.81 -0.75 4.36 4.54 3ghgH1 GLN 89 HB2 0.00 0.12 0.10 -0.04 2.15 2.33 3ghgH1 GLN 89 HB3 0.00 -0.08 0.19 -0.04 2.02 2.09 3ghgH1 GLN 89 HG2 0.00 -0.04 0.02 -0.04 2.40 2.34 3ghgH1 GLN 89 HG3 0.00 -0.07 -0.18 -0.04 2.39 2.10 3ghgH1 GLN 89 HE21 0.00 -0.00 0.04 -0.04 6.97 6.96 3ghgH1 GLN 89 HE22 0.00 -0.06 0.03 -0.04 7.69 7.62 3ghgH1 GLU 90 H 0.00 0.38 -0.24 -0.55 8.60 8.20 3ghgH1 GLU 90 HA 0.00 0.09 0.72 -0.75 4.29 4.34 3ghgH1 GLU 90 HB2 0.00 0.02 0.05 -0.04 2.09 2.11 3ghgH1 GLU 90 HB3 0.00 0.15 0.18 -0.04 1.99 2.28 3ghgH1 GLU 90 HG2 0.00 -0.02 -0.19 -0.04 2.34 2.08 3ghgH1 GLU 90 HG3 0.00 -0.02 0.02 -0.04 2.34 2.31 3ghgH1 ARG 91 H 0.00 0.29 0.05 -0.55 8.46 8.25 3ghgH1 ARG 91 HA 0.00 0.04 0.43 -0.75 4.34 4.06 3ghgH1 ARG 91 HB2 0.00 0.10 0.08 -0.04 1.90 2.04 3ghgH1 ARG 91 HB3 0.00 -0.02 0.02 -0.04 1.80 1.76 3ghgH1 ARG 91 HG2 0.00 -0.02 0.04 -0.04 1.67 1.65 3ghgH1 ARG 91 HG3 0.00 -0.00 0.09 -0.04 1.67 1.72 3ghgH1 ARG 91 HD2 0.00 -0.02 0.02 -0.04 3.22 3.17 3ghgH1 ARG 91 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 3ghgH1 PRO 92 HA 0.00 0.11 0.63 -0.51 4.44 4.67 3ghgH1 PRO 92 HB2 0.00 0.04 0.00 -0.04 2.28 2.28 3ghgH1 PRO 92 HB3 0.00 0.04 0.07 -0.04 2.02 2.09 3ghgH1 PRO 92 HG2 0.00 0.01 0.01 -0.04 2.03 2.01 3ghgH1 PRO 92 HG3 0.00 0.17 0.15 -0.04 2.03 2.31 3ghgH1 PRO 92 HD2 0.00 -0.11 -0.27 -0.04 3.68 3.25 3ghgH1 PRO 92 HD3 0.00 0.18 0.04 -0.04 3.65 3.83 3ghgH1 ILE 93 H 0.00 0.37 -0.13 -0.55 8.25 7.94 3ghgH1 ILE 93 HA 0.00 0.01 0.30 -0.75 4.18 3.74 3ghgH1 ILE 93 HB 0.00 0.17 0.23 -0.04 1.89 2.25 3ghgH1 ILE 93 HG12 0.00 -0.06 0.08 -0.04 1.49 1.46 3ghgH1 ILE 93 HG13 0.00 0.03 0.15 -0.04 1.21 1.35 3ghgH1 ILE 93 HG23 0.00 -0.02 -0.07 -0.04 0.93 0.80 3ghgH1 ILE 93 HD13 0.00 0.01 0.07 -0.04 0.88 0.92 3ghgH1 ARG 94 H 0.00 0.57 -0.28 -0.55 8.46 8.20 3ghgH1 ARG 94 HA 0.00 -0.00 0.33 -0.75 4.34 3.92 3ghgH1 ARG 94 HB2 0.00 0.10 0.15 -0.04 1.90 2.11 3ghgH1 ARG 94 HB3 0.00 0.06 0.02 -0.04 1.80 1.84 3ghgH1 ARG 94 HG2 0.00 -0.02 -0.00 -0.04 1.67 1.61 3ghgH1 ARG 94 HG3 0.00 -0.06 0.12 -0.04 1.67 1.69 3ghgH1 ARG 94 HD2 0.00 -0.01 0.02 -0.04 3.22 3.19 3ghgH1 ARG 94 HD3 0.00 0.02 -0.01 -0.04 3.22 3.19 3ghgH1 ASN 95 H 0.00 0.45 -0.39 -0.55 8.53 8.05 3ghgH1 ASN 95 HA 0.00 0.05 0.83 -0.75 4.76 4.89 3ghgH1 ASN 95 HB2 0.00 0.16 0.14 -0.04 2.88 3.13 3ghgH1 ASN 95 HB3 -0.00 -0.09 0.11 -0.04 2.79 2.78 3ghgH1 ASN 95 HD21 0.00 -0.08 0.05 -0.04 7.03 6.96 3ghgH1 ASN 95 HD22 -0.00 -0.05 0.05 -0.04 7.74 7.69 3ghgH1 SER 96 H 0.00 0.44 -0.06 -0.55 8.46 8.30 3ghgH1 SER 96 HA 0.00 0.03 0.58 -0.75 4.49 4.34 3ghgH1 SER 96 HB2 0.00 0.11 0.11 -0.04 3.95 4.13 3ghgH1 SER 96 HB3 0.00 -0.04 0.05 -0.04 3.93 3.90 3ghgH1 VAL 97 H 0.00 0.52 -0.05 -0.55 8.24 8.17 3ghgH1 VAL 97 HA 0.00 0.04 0.43 -0.75 4.13 3.85 3ghgH1 VAL 97 HB 0.00 0.15 0.11 -0.04 2.12 2.34 3ghgH1 VAL 97 HG13 0.00 -0.01 -0.15 -0.04 0.97 0.77 3ghgH1 VAL 97 HG23 0.00 0.02 0.02 -0.04 0.95 0.95 3ghgH1 ASP 98 H 0.00 0.32 -0.28 -0.55 8.40 7.90 3ghgH1 ASP 98 HA 0.00 0.00 0.27 -0.75 4.63 4.15 3ghgH1 ASP 98 HB2 0.00 0.04 0.17 -0.04 2.71 2.88 3ghgH1 ASP 98 HB3 0.00 0.12 0.24 -0.04 2.70 3.02 3ghgH1 GLU 99 H 0.00 0.61 -0.11 -0.55 8.60 8.56 3ghgH1 GLU 99 HA -0.00 0.00 0.40 -0.75 4.29 3.94 3ghgH1 GLU 99 HB2 -0.00 -0.04 0.07 -0.04 2.09 2.08 3ghgH1 GLU 99 HB3 -0.00 0.04 0.14 -0.04 1.99 2.13 3ghgH1 GLU 99 HG2 -0.00 -0.01 0.08 -0.04 2.34 2.37 3ghgH1 GLU 99 HG3 0.00 0.15 0.21 -0.04 2.34 2.66 3ghgH1 LEU 100 H 0.00 0.70 -0.15 -0.55 8.37 8.37 3ghgH1 LEU 100 HA 0.00 -0.01 0.41 -0.75 4.35 3.99 3ghgH1 LEU 100 HB2 0.00 0.16 0.11 -0.04 1.64 1.87 3ghgH1 LEU 100 HB3 0.00 -0.07 0.09 -0.04 1.64 1.62 3ghgH1 LEU 100 HG 0.00 0.04 0.06 -0.04 1.64 1.71 3ghgH1 LEU 100 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.83 3ghgH1 LEU 100 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 3ghgH1 ASN 101 H 0.00 0.55 -0.35 -0.55 8.53 8.19 3ghgH1 ASN 101 HA 0.00 0.05 0.84 -0.75 4.76 4.91 3ghgH1 ASN 101 HB2 0.00 0.21 0.17 -0.04 2.88 3.23 3ghgH1 ASN 101 HB3 0.00 -0.08 0.05 -0.04 2.79 2.71 3ghgH1 ASN 101 HD21 0.00 -0.02 -0.03 -0.04 7.03 6.94 3ghgH1 ASN 101 HD22 0.00 -0.05 0.07 -0.04 7.74 7.72 3ghgH1 ASN 102 H 0.00 0.60 0.10 -0.55 8.53 8.68 3ghgH1 ASN 102 HA -0.00 -0.01 0.64 -0.75 4.76 4.63 3ghgH1 ASN 102 HB2 -0.00 0.11 0.22 -0.04 2.88 3.16 3ghgH1 ASN 102 HB3 -0.00 -0.05 0.15 -0.04 2.79 2.85 3ghgH1 ASN 102 HD21 -0.00 -0.00 0.01 -0.04 7.03 7.00 3ghgH1 ASN 102 HD22 -0.00 -0.04 0.07 -0.04 7.74 7.73 3ghgH1 ASN 103 H 0.00 0.13 -0.34 -0.55 8.53 7.77 3ghgH1 ASN 103 HA -0.00 0.13 0.88 -0.75 4.76 5.01 3ghgH1 ASN 103 HB2 -0.00 0.23 -0.08 -0.04 2.88 2.99 3ghgH1 ASN 103 HB3 0.00 -0.02 0.02 -0.04 2.79 2.75 3ghgH1 ASN 103 HD21 -0.01 -0.02 0.02 -0.04 7.03 6.98 3ghgH1 ASN 103 HD22 -0.01 0.09 -0.02 -0.04 7.74 7.76 3ghgH1 VAL 104 H 0.00 0.11 -0.31 -0.55 8.24 7.49 3ghgH1 VAL 104 HA 0.01 0.11 0.70 -0.75 4.13 4.19 3ghgH1 VAL 104 HB 0.01 0.08 0.18 -0.04 2.12 2.34 3ghgH1 VAL 104 HG13 0.02 -0.01 -0.04 -0.04 0.97 0.90 3ghgH1 VAL 104 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 3ghgH1 GLU 105 H 0.00 0.38 0.17 -0.55 8.60 8.61 3ghgH1 GLU 105 HA 0.01 0.12 0.43 -0.75 4.29 4.08 3ghgH1 GLU 105 HB2 0.00 0.21 0.20 -0.04 2.09 2.47 3ghgH1 GLU 105 HB3 0.00 0.00 -0.01 -0.04 1.99 1.94 3ghgH1 GLU 105 HG2 0.01 0.01 0.04 -0.04 2.34 2.36 3ghgH1 GLU 105 HG3 0.01 0.01 0.03 -0.04 2.34 2.35 3ghgH1 ALA 106 H -0.00 0.13 -0.08 -0.55 8.40 7.90 3ghgH1 ALA 106 HA -0.01 0.14 0.69 -0.75 4.34 4.41 3ghgH1 ALA 106 HB3 -0.01 0.10 0.11 -0.04 1.41 1.58 3ghgH1 VAL 107 H -0.01 -0.03 -0.43 -0.55 8.24 7.23 3ghgH1 VAL 107 HA -0.03 0.16 0.41 -0.75 4.13 3.91 3ghgH1 VAL 107 HB -0.01 0.04 -0.14 -0.04 2.12 1.96 3ghgH1 VAL 107 HG13 -0.03 -0.00 -0.13 -0.04 0.97 0.77 3ghgH1 VAL 107 HG23 -0.01 0.07 0.06 -0.04 0.95 1.03 3ghgH1 SER 108 H -0.01 0.26 -0.12 -0.55 8.46 8.04 3ghgH1 SER 108 HA -0.07 0.02 0.70 -0.75 4.49 4.40 3ghgH1 SER 108 HB2 0.01 0.13 0.21 -0.04 3.95 4.26 3ghgH1 SER 108 HB3 0.03 -0.05 0.24 -0.04 3.93 4.10 3ghgH1 GLN 109 H -0.03 0.23 -0.85 -0.55 8.47 7.28 3ghgH1 GLN 109 HA -0.00 0.13 0.79 -0.75 4.36 4.53 3ghgH1 GLN 109 HB2 -0.00 -0.04 0.02 -0.04 2.15 2.09 3ghgH1 GLN 109 HB3 -0.00 0.23 -0.00 -0.04 2.02 2.20 3ghgH1 GLN 109 HG2 -0.01 0.19 0.01 -0.04 2.40 2.55 3ghgH1 GLN 109 HG3 -0.03 -0.07 -0.10 -0.04 2.39 2.15 3ghgH1 GLN 109 HE21 -0.01 -0.05 -0.03 -0.04 6.97 6.84 3ghgH1 GLN 109 HE22 -0.01 0.05 0.01 -0.04 7.69 7.71 3ghgH1 THR 110 H -0.06 0.33 0.04 -0.55 8.28 8.04 3ghgH1 THR 110 HA -0.07 0.08 0.57 -0.75 4.39 4.21 3ghgH1 THR 110 HB -0.10 0.14 0.17 -0.04 4.32 4.49 3ghgH1 THR 110 HG23 -0.14 0.00 -0.12 -0.04 1.22 0.92 3ghgH1 SER 111 H -0.17 0.09 -0.31 -0.55 8.46 7.53 3ghgH1 SER 111 HA -0.69 0.13 0.44 -0.75 4.49 3.62 3ghgH1 SER 111 HB2 -0.26 -0.03 0.08 -0.04 3.95 3.69 3ghgH1 SER 111 HB3 -0.25 0.12 -0.03 -0.04 3.93 3.73 3ghgH1 SER 112 H -0.04 0.31 -0.39 -0.55 8.46 7.80 3ghgH1 SER 112 HA 0.20 0.00 0.34 -0.75 4.49 4.29 3ghgH1 SER 112 HB2 0.03 -0.00 0.15 -0.04 3.95 4.08 3ghgH1 SER 112 HB3 0.07 -0.04 0.09 -0.04 3.93 4.01 3ghgH1 SER 113 H -0.02 0.48 -0.58 -0.55 8.46 7.80 3ghgH1 SER 113 HA 0.06 0.07 0.63 -0.75 4.49 4.50 3ghgH1 SER 113 HB2 0.02 0.01 0.06 -0.04 3.95 4.00 3ghgH1 SER 113 HB3 -0.01 -0.04 0.21 -0.04 3.93 4.05 3ghgH1 SER 114 H -0.06 0.64 -0.03 -0.55 8.46 8.45 3ghgH1 SER 114 HA 0.25 0.06 0.43 -0.75 4.49 4.47 3ghgH1 SER 114 HB2 -0.19 0.15 0.14 -0.04 3.95 4.01 3ghgH1 SER 114 HB3 -0.33 -0.06 0.17 -0.04 3.93 3.67 3ghgH1 PHE 115 H 0.10 0.41 -0.46 -0.55 8.34 7.83 3ghgH1 PHE 115 HA -0.01 0.07 0.71 -0.75 4.62 4.63 3ghgH1 PHE 115 HB2 -0.00 0.15 0.06 -0.04 3.15 3.32 3ghgH1 PHE 115 HB3 -0.02 -0.07 -0.07 -0.04 3.06 2.86 3ghgH1 PHE 115 HD2 -0.01 0.01 -0.11 -0.04 7.28 7.13 3ghgH1 PHE 115 HE2 -0.01 -0.01 -0.04 -0.04 7.38 7.27 3ghgH1 PHE 115 HZ -0.01 -0.01 -0.02 -0.04 7.32 7.24 3ghgH1 GLN 116 H 0.15 0.31 -0.08 -0.55 8.47 8.31 3ghgH1 GLN 116 HA -0.08 0.13 0.70 -0.75 4.36 4.36 3ghgH1 GLN 116 HB2 -0.26 -0.11 0.21 -0.04 2.15 1.95 3ghgH1 GLN 116 HB3 -0.05 0.05 0.07 -0.04 2.02 2.04 3ghgH1 GLN 116 HG2 0.05 0.03 0.08 -0.04 2.40 2.53 3ghgH1 GLN 116 HG3 0.08 0.17 0.09 -0.04 2.39 2.69 3ghgH1 GLN 116 HE21 0.25 -0.00 0.07 -0.04 6.97 7.25 3ghgH1 GLN 116 HE22 0.15 -0.01 0.09 -0.04 7.69 7.88 3ghgH1 TYR 117 H 0.16 0.45 -0.80 -0.55 8.29 7.55 3ghgH1 TYR 117 HA -0.01 0.14 0.55 -0.75 4.56 4.49 3ghgH1 TYR 117 HB2 -0.01 0.15 0.01 -0.04 3.06 3.17 3ghgH1 TYR 117 HB3 -0.02 0.01 0.09 -0.04 2.98 3.02 3ghgH1 TYR 117 HD2 -0.00 0.01 -0.03 -0.04 7.15 7.09 3ghgH1 TYR 117 HE2 0.00 0.01 -0.04 -0.04 6.85 6.79 3ghgH1 MET 118 H -0.14 0.21 -0.91 -0.55 8.47 7.09 3ghgH1 MET 118 HA -0.01 0.16 0.63 -0.75 4.52 4.54 3ghgH1 MET 118 HB2 -0.33 0.04 -0.01 -0.04 2.15 1.81 3ghgH1 MET 118 HB3 -0.08 0.02 0.01 -0.04 2.03 1.94 3ghgH1 MET 118 HG2 -0.08 0.00 0.01 -0.04 2.63 2.52 3ghgH1 MET 118 HG3 -0.09 0.07 0.00 -0.04 2.56 2.50 3ghgH1 MET 118 HE3 0.09 0.03 -0.29 -0.04 2.10 1.89 3ghgH1 TYR 119 H -0.28 0.30 0.03 -0.55 8.29 7.78 3ghgH1 TYR 119 HA 0.02 0.06 0.70 -0.75 4.56 4.58 3ghgH1 TYR 119 HB2 -0.02 0.11 0.07 -0.04 3.06 3.18 3ghgH1 TYR 119 HB3 -0.01 0.05 0.18 -0.04 2.98 3.16 3ghgH1 TYR 119 HD2 0.01 0.01 0.00 -0.04 7.15 7.14 3ghgH1 TYR 119 HE2 0.02 0.03 0.00 -0.04 6.85 6.86 3ghgH1 LEU 120 H -0.03 -0.11 -0.90 -0.55 8.37 6.79 3ghgH1 LEU 120 HA -0.06 0.26 0.84 -0.75 4.35 4.64 3ghgH1 LEU 120 HB2 -0.54 0.09 -0.05 -0.04 1.64 1.09 3ghgH1 LEU 120 HB3 -0.38 0.05 -0.01 -0.04 1.64 1.27 3ghgH1 LEU 120 HG -0.22 -0.11 -0.14 -0.04 1.64 1.13 3ghgH1 LEU 120 HD13 -0.84 0.02 -0.03 -0.04 0.93 0.03 3ghgH1 LEU 120 HD23 -0.07 0.07 -0.28 -0.04 0.89 0.57 3ghgH1 LEU 121 H 0.00 0.24 0.03 -0.55 8.37 8.10 3ghgH1 LEU 121 HA 0.07 0.10 0.58 -0.75 4.35 4.34 3ghgH1 LEU 121 HB2 0.13 0.09 0.10 -0.04 1.64 1.92 3ghgH1 LEU 121 HB3 0.09 0.00 0.23 -0.04 1.64 1.92 3ghgH1 LEU 121 HG 0.02 -0.03 -0.44 -0.04 1.64 1.16 3ghgH1 LEU 121 HD13 0.17 0.00 -0.01 -0.04 0.93 1.06 3ghgH1 LEU 121 HD23 0.06 0.02 0.09 -0.04 0.89 1.01 3ghgH1 LYS 122 H 0.07 0.10 0.26 -0.55 8.42 8.29 3ghgH1 LYS 122 HA 0.01 0.22 0.75 -0.75 4.32 4.56 3ghgH1 LYS 122 HB2 -0.02 0.07 0.08 -0.04 1.87 1.96 3ghgH1 LYS 122 HB3 0.00 -0.03 0.20 -0.04 1.79 1.92 3ghgH1 LYS 122 HG2 -0.16 -0.04 0.15 -0.04 1.46 1.37 3ghgH1 LYS 122 HG3 -0.15 0.05 0.10 -0.04 1.46 1.43 3ghgH1 LYS 122 HD2 -0.02 -0.04 -0.06 -0.04 1.69 1.52 3ghgH1 LYS 122 HD3 -0.07 0.01 -0.02 -0.04 1.68 1.56 3ghgH1 LYS 122 HE2 -0.08 0.02 0.01 -0.04 2.99 2.90 3ghgH1 LYS 122 HE3 -0.06 0.02 0.01 -0.04 2.99 2.92 3ghgH1 ASP 123 H 0.13 0.60 0.41 -0.55 8.40 9.00 3ghgH1 ASP 123 HA 0.29 0.18 0.91 -0.75 4.63 5.24 3ghgH1 ASP 123 HB2 0.26 0.03 0.18 -0.04 2.71 3.14 3ghgH1 ASP 123 HB3 0.15 0.04 0.10 -0.04 2.70 2.95 3ghgH1 LEU 124 H 0.13 0.00 -0.17 -0.55 8.37 7.79 3ghgH1 LEU 124 HA 0.07 0.16 0.62 -0.75 4.35 4.45 3ghgH1 LEU 124 HB2 0.06 0.16 -0.14 -0.04 1.64 1.68 3ghgH1 LEU 124 HB3 0.10 -0.05 -0.12 -0.04 1.64 1.52 3ghgH1 LEU 124 HG 0.06 -0.06 -0.06 -0.04 1.64 1.53 3ghgH1 LEU 124 HD13 0.02 0.01 0.05 -0.04 0.93 0.97 3ghgH1 LEU 124 HD23 0.04 0.06 0.05 -0.04 0.89 0.99 3ghgH1 TRP 125 H 0.34 0.07 -0.54 -0.55 7.97 7.29 3ghgH1 TRP 125 HA 0.01 0.12 0.40 -0.75 4.62 4.40 3ghgH1 TRP 125 HB2 0.02 0.05 -0.01 -0.04 3.23 3.25 3ghgH1 TRP 125 HB3 0.02 0.02 -0.07 -0.04 3.23 3.17 3ghgH1 TRP 125 HD1 0.02 0.02 -0.01 -0.04 7.22 7.22 3ghgH1 TRP 125 HE1 0.02 -0.01 -0.04 -0.04 10.20 10.13 3ghgH1 TRP 125 HE3 0.01 0.00 -0.04 -0.04 7.59 7.53 3ghgH1 TRP 125 HZ2 0.01 0.01 -0.02 -0.04 7.44 7.39 3ghgH1 TRP 125 HZ3 0.01 0.01 -0.01 -0.04 7.13 7.09 3ghgH1 TRP 125 HH2 0.01 0.01 -0.01 -0.04 7.19 7.16 3ghgH1 GLN 126 H 0.26 0.10 -0.54 -0.55 8.47 7.75 3ghgH1 GLN 126 HA -0.52 0.07 0.29 -0.75 4.36 3.44 3ghgH1 GLN 126 HB2 0.06 0.20 0.10 -0.04 2.15 2.47 3ghgH1 GLN 126 HB3 -0.01 0.01 0.01 -0.04 2.02 1.98 3ghgH1 GLN 126 HG2 0.47 0.01 0.16 -0.04 2.40 3.00 3ghgH1 GLN 126 HG3 0.19 0.02 0.10 -0.04 2.39 2.65 3ghgH1 GLN 126 HE21 0.33 0.01 0.01 -0.04 6.97 7.27 3ghgH1 GLN 126 HE22 0.27 0.01 0.03 -0.04 7.69 7.96 3ghgH1 LYS 127 H -0.02 0.26 -0.33 -0.55 8.42 7.77 3ghgH1 LYS 127 HA -0.07 0.06 0.43 -0.75 4.32 3.98 3ghgH1 LYS 127 HB2 -0.01 0.05 0.12 -0.04 1.87 1.98 3ghgH1 LYS 127 HB3 -0.02 0.10 -0.00 -0.04 1.79 1.82 3ghgH1 LYS 127 HG2 -0.02 0.03 0.02 -0.04 1.46 1.45 3ghgH1 LYS 127 HG3 -0.03 -0.04 0.07 -0.04 1.46 1.42 3ghgH1 LYS 127 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.61 3ghgH1 LYS 127 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 3ghgH1 LYS 127 HE2 -0.02 0.01 0.01 -0.04 2.99 2.94 3ghgH1 LYS 127 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 3ghgH1 ARG 128 H -0.10 0.29 -0.45 -0.55 8.46 7.65 3ghgH1 ARG 128 HA -0.08 0.07 0.68 -0.75 4.34 4.26 3ghgH1 ARG 128 HB2 -0.01 0.04 0.05 -0.04 1.90 1.94 3ghgH1 ARG 128 HB3 -0.02 0.05 0.06 -0.04 1.80 1.85 3ghgH1 ARG 128 HG2 0.01 0.01 0.03 -0.04 1.67 1.68 3ghgH1 ARG 128 HG3 -0.03 -0.02 0.12 -0.04 1.67 1.69 3ghgH1 ARG 128 HD2 -0.02 0.01 0.04 -0.04 3.22 3.20 3ghgH1 ARG 128 HD3 -0.01 0.01 0.03 -0.04 3.22 3.22 3ghgH1 GLN 129 H -0.37 0.32 -0.32 -0.55 8.47 7.55 3ghgH1 GLN 129 HA -0.38 0.12 0.85 -0.75 4.36 4.20 3ghgH1 GLN 129 HB2 -1.62 0.04 -0.00 -0.04 2.15 0.52 3ghgH1 GLN 129 HB3 -1.05 0.05 0.08 -0.04 2.02 1.05 3ghgH1 GLN 129 HG2 -0.55 -0.07 0.16 -0.04 2.40 1.90 3ghgH1 GLN 129 HG3 -1.71 0.00 0.01 -0.04 2.39 0.65 3ghgH1 GLN 129 HE21 -0.03 0.00 -0.01 -0.04 6.97 6.88 3ghgH1 GLN 129 HE22 -0.07 0.01 0.00 -0.04 7.69 7.59 3ghgH1 LYS 130 H -0.20 0.23 -0.16 -0.55 8.42 7.74 3ghgH1 LYS 130 HA -0.13 0.10 0.83 -0.75 4.32 4.36 3ghgH1 LYS 130 HB2 -0.11 0.11 0.10 -0.04 1.87 1.94 3ghgH1 LYS 130 HB3 -0.08 -0.02 0.06 -0.04 1.79 1.71 3ghgH1 LYS 130 HG2 -0.10 -0.03 -0.01 -0.04 1.46 1.28 3ghgH1 LYS 130 HG3 -0.19 -0.00 -0.13 -0.04 1.46 1.09 3ghgH1 LYS 130 HD2 -0.08 0.04 -0.11 -0.04 1.69 1.50 3ghgH1 LYS 130 HD3 -0.05 -0.03 -0.03 -0.04 1.68 1.53 3ghgH1 LYS 130 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.87 3ghgH1 LYS 130 HE3 -0.11 -0.02 -0.00 -0.04 2.99 2.82 3ghgH1 GLN 131 H -0.10 0.24 -0.02 -0.55 8.47 8.04 3ghgH1 GLN 131 HA -0.05 0.12 0.65 -0.75 4.36 4.32 3ghgH1 GLN 131 HB2 -0.07 0.03 0.10 -0.04 2.15 2.17 3ghgH1 GLN 131 HB3 -0.05 0.02 -0.02 -0.04 2.02 1.93 3ghgH1 GLN 131 HG2 -0.05 0.01 0.09 -0.04 2.40 2.41 3ghgH1 GLN 131 HG3 -0.04 0.05 0.08 -0.04 2.39 2.44 3ghgH1 GLN 131 HE21 -0.03 0.00 0.02 -0.04 6.97 6.92 3ghgH1 GLN 131 HE22 -0.03 0.01 0.02 -0.04 7.69 7.65 3ghgH1 VAL 132 H -0.10 0.16 -0.35 -0.55 8.24 7.40 3ghgH1 VAL 132 HA -0.05 0.10 0.38 -0.75 4.13 3.80 3ghgH1 VAL 132 HB -0.05 0.01 0.01 -0.04 2.12 2.04 3ghgH1 VAL 132 HG13 -0.06 0.02 0.01 -0.04 0.97 0.90 3ghgH1 VAL 132 HG23 -0.13 -0.01 -0.06 -0.04 0.95 0.71 3ghgH1 LYS 133 H -0.10 0.26 -0.22 -0.55 8.42 7.80 3ghgH1 LYS 133 HA -0.05 0.08 0.53 -0.75 4.32 4.12 3ghgH1 LYS 133 HB2 -0.10 0.18 0.20 -0.04 1.87 2.11 3ghgH1 LYS 133 HB3 -0.08 -0.01 0.17 -0.04 1.79 1.83 3ghgH1 LYS 133 HG2 -0.03 -0.03 -0.10 -0.04 1.46 1.25 3ghgH1 LYS 133 HG3 -0.03 -0.01 0.06 -0.04 1.46 1.43 3ghgH1 LYS 133 HD2 -0.05 -0.00 -0.01 -0.04 1.69 1.59 3ghgH1 LYS 133 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.59 3ghgH1 LYS 133 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 3ghgH1 LYS 133 HE3 -0.10 0.09 0.02 -0.04 2.99 2.95 3ghgH1 ASP 134 H -0.06 0.42 -0.24 -0.55 8.40 7.97 3ghgH1 ASP 134 HA -0.03 0.06 0.52 -0.75 4.63 4.43 3ghgH1 ASP 134 HB2 -0.04 0.16 0.18 -0.04 2.71 2.97 3ghgH1 ASP 134 HB3 -0.03 0.05 0.08 -0.04 2.70 2.76 3ghgH1 ASN 135 H -0.04 0.41 -0.26 -0.55 8.53 8.10 3ghgH1 ASN 135 HA -0.02 0.05 0.60 -0.75 4.76 4.64 3ghgH1 ASN 135 HB2 -0.04 0.11 0.16 -0.04 2.88 3.08 3ghgH1 ASN 135 HB3 -0.04 -0.04 -0.01 -0.04 2.79 2.66 3ghgH1 ASN 135 HD21 -0.04 -0.01 -0.01 -0.04 7.03 6.94 3ghgH1 ASN 135 HD22 -0.04 -0.02 -0.01 -0.04 7.74 7.63 3ghgH1 GLU 136 H -0.03 0.52 -0.20 -0.55 8.60 8.34 3ghgH1 GLU 136 HA -0.01 0.01 0.61 -0.75 4.29 4.14 3ghgH1 GLU 136 HB2 -0.02 0.08 0.25 -0.04 2.09 2.36 3ghgH1 GLU 136 HB3 -0.01 -0.03 -0.00 -0.04 1.99 1.91 3ghgH1 GLU 136 HG2 -0.01 -0.06 0.07 -0.04 2.34 2.30 3ghgH1 GLU 136 HG3 -0.02 0.13 0.07 -0.04 2.34 2.47 3ghgH1 ASN 137 H -0.02 0.49 -0.23 -0.55 8.53 8.23 3ghgH1 ASN 137 HA -0.00 0.05 0.63 -0.75 4.76 4.68 3ghgH1 ASN 137 HB2 -0.01 0.14 0.19 -0.04 2.88 3.16 3ghgH1 ASN 137 HB3 -0.00 -0.05 0.07 -0.04 2.79 2.76 3ghgH1 ASN 137 HD21 -0.01 -0.04 -0.01 -0.04 7.03 6.93 3ghgH1 ASN 137 HD22 -0.01 -0.02 0.02 -0.04 7.74 7.69 3ghgH1 VAL 138 H -0.01 0.18 -0.46 -0.55 8.24 7.41 3ghgH1 VAL 138 HA 0.02 0.16 0.91 -0.75 4.13 4.45 3ghgH1 VAL 138 HB -0.00 0.14 0.09 -0.04 2.12 2.31 3ghgH1 VAL 138 HG13 -0.01 -0.02 -0.02 -0.04 0.97 0.88 3ghgH1 VAL 138 HG23 0.02 -0.03 0.10 -0.04 0.95 1.00 3ghgH1 VAL 139 H 0.00 0.41 -0.05 -0.55 8.24 8.05 3ghgH1 VAL 139 HA 0.02 0.02 0.67 -0.75 4.13 4.09 3ghgH1 VAL 139 HB 0.00 0.10 0.16 -0.04 2.12 2.34 3ghgH1 VAL 139 HG13 0.01 -0.02 0.01 -0.04 0.97 0.92 3ghgH1 VAL 139 HG23 -0.02 0.17 0.01 -0.04 0.95 1.07 3ghgH1 ASN 140 H 0.02 0.30 -0.33 -0.55 8.53 7.97 3ghgH1 ASN 140 HA 0.03 0.09 0.62 -0.75 4.76 4.74 3ghgH1 ASN 140 HB2 0.02 -0.02 0.14 -0.04 2.88 2.98 3ghgH1 ASN 140 HB3 0.02 0.03 0.07 -0.04 2.79 2.87 3ghgH1 ASN 140 HD21 0.01 0.06 0.09 -0.04 7.03 7.14 3ghgH1 ASN 140 HD22 0.01 -0.05 0.05 -0.04 7.74 7.71 3ghgH1 GLU 141 H 0.05 0.28 -0.60 -0.55 8.60 7.78 3ghgH1 GLU 141 HA 0.03 0.19 0.87 -0.75 4.29 4.62 3ghgH1 GLU 141 HB2 0.04 0.16 0.14 -0.04 2.09 2.39 3ghgH1 GLU 141 HB3 0.04 -0.01 -0.05 -0.04 1.99 1.94 3ghgH1 GLU 141 HG2 0.02 0.00 0.01 -0.04 2.34 2.34 3ghgH1 GLU 141 HG3 0.02 -0.00 0.04 -0.04 2.34 2.35 3ghgH1 TYR 142 H 0.16 0.34 0.11 -0.55 8.29 8.35 3ghgH1 TYR 142 HA -0.02 0.06 0.53 -0.75 4.56 4.38 3ghgH1 TYR 142 HB2 -0.01 0.07 0.18 -0.04 3.06 3.25 3ghgH1 TYR 142 HB3 -0.01 0.07 0.09 -0.04 2.98 3.09 3ghgH1 TYR 142 HD2 -0.02 0.01 -0.06 -0.04 7.15 7.04 3ghgH1 TYR 142 HE2 -0.02 0.01 0.01 -0.04 6.85 6.80 3ghgH1 SER 143 H 0.12 0.37 -0.19 -0.55 8.46 8.22 3ghgH1 SER 143 HA 0.09 0.06 0.58 -0.75 4.49 4.47 3ghgH1 SER 143 HB2 0.05 -0.03 0.01 -0.04 3.95 3.94 3ghgH1 SER 143 HB3 0.07 0.10 0.13 -0.04 3.93 4.19 3ghgH1 SER 144 H 0.04 0.15 -0.56 -0.55 8.46 7.54 3ghgH1 SER 144 HA 0.02 0.04 0.47 -0.75 4.49 4.27 3ghgH1 SER 144 HB2 0.02 0.10 0.12 -0.04 3.95 4.16 3ghgH1 SER 144 HB3 0.02 0.10 0.13 -0.04 3.93 4.15 3ghgH1 GLU 145 H -0.04 0.27 -0.35 -0.55 8.60 7.93 3ghgH1 GLU 145 HA 0.06 0.11 0.61 -0.75 4.29 4.31 3ghgH1 GLU 145 HB2 -0.12 0.10 0.10 -0.04 2.09 2.13 3ghgH1 GLU 145 HB3 -0.30 0.03 0.13 -0.04 1.99 1.81 3ghgH1 GLU 145 HG2 -0.48 -0.02 -0.12 -0.04 2.34 1.68 3ghgH1 GLU 145 HG3 0.01 -0.01 0.03 -0.04 2.34 2.33 3ghgH1 LEU 146 H -0.11 0.39 -0.04 -0.55 8.37 8.07 3ghgH1 LEU 146 HA -0.00 0.06 0.32 -0.75 4.35 3.97 3ghgH1 LEU 146 HB2 -0.01 0.10 0.11 -0.04 1.64 1.79 3ghgH1 LEU 146 HB3 0.00 -0.01 -0.01 -0.04 1.64 1.58 3ghgH1 LEU 146 HG -0.22 0.08 0.08 -0.04 1.64 1.54 3ghgH1 LEU 146 HD13 0.05 0.00 0.01 -0.04 0.93 0.94 3ghgH1 LEU 146 HD23 -0.12 -0.01 -0.03 -0.04 0.89 0.69 3ghgH1 GLU 147 H 0.02 0.34 -0.29 -0.55 8.60 8.12 3ghgH1 GLU 147 HA 0.03 0.04 0.53 -0.75 4.29 4.14 3ghgH1 GLU 147 HB2 0.03 0.09 0.07 -0.04 2.09 2.24 3ghgH1 GLU 147 HB3 0.02 -0.02 -0.00 -0.04 1.99 1.94 3ghgH1 GLU 147 HG2 0.02 -0.05 0.05 -0.04 2.34 2.32 3ghgH1 GLU 147 HG3 0.02 0.17 0.09 -0.04 2.34 2.58 3ghgH1 LYS 148 H 0.07 0.38 -0.29 -0.55 8.42 8.02 3ghgH1 LYS 148 HA 0.03 0.04 0.66 -0.75 4.32 4.30 3ghgH1 LYS 148 HB2 0.09 0.15 0.15 -0.04 1.87 2.23 3ghgH1 LYS 148 HB3 0.04 -0.06 0.13 -0.04 1.79 1.86 3ghgH1 LYS 148 HG2 0.02 -0.07 0.04 -0.04 1.46 1.42 3ghgH1 LYS 148 HG3 0.03 0.01 0.06 -0.04 1.46 1.53 3ghgH1 LYS 148 HD2 0.04 0.11 0.06 -0.04 1.69 1.87 3ghgH1 LYS 148 HD3 0.03 -0.06 0.04 -0.04 1.68 1.65 3ghgH1 LYS 148 HE2 0.02 -0.05 0.03 -0.04 2.99 2.94 3ghgH1 LYS 148 HE3 0.02 0.01 0.05 -0.04 2.99 3.04 3ghgH1 HIS 149 H 0.17 0.31 -0.21 -0.55 8.41 8.13 3ghgH1 HIS 149 HA 0.08 0.11 0.79 -0.75 4.63 4.86 3ghgH1 HIS 149 HB2 -0.03 0.03 -0.00 -0.04 3.26 3.21 3ghgH1 HIS 149 HB3 -0.02 -0.03 0.08 -0.04 3.20 3.19 3ghgH1 HIS 149 HD2 -0.04 0.12 -0.03 -0.04 6.97 6.98 3ghgH1 HIS 149 HE1 -0.08 -0.01 -0.01 -0.04 7.75 7.60 3ghgH1 GLN 150 H 0.08 0.20 -0.32 -0.55 8.47 7.88 3ghgH1 GLN 150 HA 0.06 0.16 0.80 -0.75 4.36 4.63 3ghgH1 GLN 150 HB2 0.04 0.12 0.11 -0.04 2.15 2.38 3ghgH1 GLN 150 HB3 0.03 0.05 0.21 -0.04 2.02 2.27 3ghgH1 GLN 150 HG2 0.02 -0.10 -0.28 -0.04 2.40 2.01 3ghgH1 GLN 150 HG3 0.03 0.01 -0.02 -0.04 2.39 2.37 3ghgH1 GLN 150 HE21 0.02 -0.00 -0.02 -0.04 6.97 6.92 3ghgH1 GLN 150 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 3ghgH1 LEU 151 H 0.03 0.39 0.03 -0.55 8.37 8.27 3ghgH1 LEU 151 HA -0.01 -0.00 0.40 -0.75 4.35 3.97 3ghgH1 LEU 151 HB2 -0.07 0.09 0.13 -0.04 1.64 1.76 3ghgH1 LEU 151 HB3 -0.09 -0.04 0.08 -0.04 1.64 1.55 3ghgH1 LEU 151 HG -0.01 0.25 0.21 -0.04 1.64 2.05 3ghgH1 LEU 151 HD13 -0.04 0.01 0.06 -0.04 0.93 0.91 3ghgH1 LEU 151 HD23 -0.02 -0.02 0.06 -0.04 0.89 0.87 3ghgH1 TYR 152 H 0.11 0.26 -0.33 -0.55 8.29 7.77 3ghgH1 TYR 152 HA -0.03 0.01 0.46 -0.75 4.56 4.24 3ghgH1 TYR 152 HB2 -0.07 0.07 -0.05 -0.04 3.06 2.98 3ghgH1 TYR 152 HB3 -0.04 0.04 -0.02 -0.04 2.98 2.91 3ghgH1 TYR 152 HD2 -0.09 0.11 0.10 -0.04 7.15 7.23 3ghgH1 TYR 152 HE2 -0.07 0.01 0.03 -0.04 6.85 6.78 3ghgH1 ILE 153 H 0.07 0.67 -0.64 -0.55 8.25 7.80 3ghgH1 ILE 153 HA 0.05 0.10 0.84 -0.75 4.18 4.42 3ghgH1 ILE 153 HB 0.05 0.11 0.11 -0.04 1.89 2.12 3ghgH1 ILE 153 HG12 0.09 0.06 -0.19 -0.04 1.49 1.40 3ghgH1 ILE 153 HG13 0.05 -0.01 0.01 -0.04 1.21 1.23 3ghgH1 ILE 153 HG23 0.03 -0.02 0.15 -0.04 0.93 1.05 3ghgH1 ILE 153 HD13 0.06 0.07 -0.12 -0.04 0.88 0.85 3ghgH1 ASP 154 H 0.01 0.28 0.03 -0.55 8.40 8.18 3ghgH1 ASP 154 HA 0.01 0.22 0.89 -0.75 4.63 5.00 3ghgH1 ASP 154 HB2 0.01 0.06 0.00 -0.04 2.71 2.74 3ghgH1 ASP 154 HB3 -0.01 -0.09 0.20 -0.04 2.70 2.76 3ghgH1 GLU 155 H -0.03 0.47 0.32 -0.55 8.60 8.81 3ghgH1 GLU 155 HA -0.03 0.02 0.36 -0.75 4.29 3.88 3ghgH1 GLU 155 HB2 -0.10 0.09 0.11 -0.04 2.09 2.15 3ghgH1 GLU 155 HB3 -0.07 -0.00 0.06 -0.04 1.99 1.94 3ghgH1 GLU 155 HG2 -0.06 -0.03 0.14 -0.04 2.34 2.35 3ghgH1 GLU 155 HG3 -0.08 0.03 0.04 -0.04 2.34 2.29 3ghgH1 THR 156 H -0.01 0.24 -0.29 -0.55 8.28 7.67 3ghgH1 THR 156 HA 0.00 0.01 0.53 -0.75 4.39 4.18 3ghgH1 THR 156 HB 0.04 0.00 -0.06 -0.04 4.32 4.25 3ghgH1 THR 156 HG23 0.03 -0.00 -0.09 -0.04 1.22 1.11 3ghgH1 VAL 157 H 0.01 0.20 -0.41 -0.55 8.24 7.49 3ghgH1 VAL 157 HA 0.01 0.03 0.11 -0.75 4.13 3.52 3ghgH1 VAL 157 HB 0.01 0.13 0.03 -0.04 2.12 2.25 3ghgH1 VAL 157 HG13 0.01 -0.01 0.05 -0.04 0.97 0.98 3ghgH1 VAL 157 HG23 0.02 -0.02 -0.01 -0.04 0.95 0.90 3ghgH1 ASN 158 H -0.00 0.37 -0.18 -0.55 8.53 8.17 3ghgH1 ASN 158 HA -0.00 0.22 0.98 -0.75 4.76 5.20 3ghgH1 ASN 158 HB2 -0.01 0.03 -0.05 -0.04 2.88 2.82 3ghgH1 ASN 158 HB3 -0.01 -0.02 -0.04 -0.04 2.79 2.68 3ghgH1 ASN 158 HD21 0.00 -0.00 -0.03 -0.04 7.03 6.96 3ghgH1 ASN 158 HD22 -0.00 -0.03 -0.04 -0.04 7.74 7.63 3ghgH1 SER 159 H -0.01 0.22 0.04 -0.55 8.46 8.17 3ghgH1 SER 159 HA -0.01 0.18 0.86 -0.75 4.49 4.76 3ghgH1 SER 159 HB2 -0.02 -0.02 0.07 -0.04 3.95 3.94 3ghgH1 SER 159 HB3 -0.02 0.04 0.29 -0.04 3.93 4.20 3ghgH1 ASN 160 H -0.01 0.51 0.25 -0.55 8.53 8.73 3ghgH1 ASN 160 HA -0.01 0.09 0.37 -0.75 4.76 4.46 3ghgH1 ASN 160 HB2 -0.00 0.06 0.30 -0.04 2.88 3.19 3ghgH1 ASN 160 HB3 -0.01 -0.03 0.06 -0.04 2.79 2.77 3ghgH1 ASN 160 HD21 -0.05 -0.06 -0.13 -0.04 7.03 6.75 3ghgH1 ASN 160 HD22 -0.02 -0.02 -0.05 -0.04 7.74 7.60 3ghgH1 ILE 161 H -0.00 0.61 0.23 -0.55 8.25 8.54 3ghgH1 ILE 161 HA 0.00 -0.02 0.31 -0.75 4.18 3.71 3ghgH1 ILE 161 HB 0.00 0.13 0.11 -0.04 1.89 2.10 3ghgH1 ILE 161 HG12 0.01 0.09 0.07 -0.04 1.49 1.61 3ghgH1 ILE 161 HG13 0.01 0.00 -0.03 -0.04 1.21 1.15 3ghgH1 ILE 161 HG23 0.00 -0.00 -0.16 -0.04 0.93 0.73 3ghgH1 ILE 161 HD13 0.01 -0.02 0.02 -0.04 0.88 0.84 3ghgH1 PRO 162 HA -0.00 0.04 0.48 -0.51 4.44 4.45 3ghgH1 PRO 162 HB2 -0.00 0.05 -0.10 -0.04 2.28 2.18 3ghgH1 PRO 162 HB3 -0.00 0.03 0.05 -0.04 2.02 2.05 3ghgH1 PRO 162 HG2 -0.00 0.14 -0.36 -0.04 2.03 1.77 3ghgH1 PRO 162 HG3 -0.00 0.14 -0.09 -0.04 2.03 2.04 3ghgH1 PRO 162 HD2 -0.00 -0.05 -0.54 -0.04 3.68 3.05 3ghgH1 PRO 162 HD3 -0.00 0.25 -0.08 -0.04 3.65 3.77 3ghgH1 THR 163 H -0.00 0.35 -0.35 -0.55 8.28 7.73 3ghgH1 THR 163 HA -0.01 0.06 0.73 -0.75 4.39 4.42 3ghgH1 THR 163 HB -0.01 -0.10 0.10 -0.04 4.32 4.27 3ghgH1 THR 163 HG23 -0.01 -0.00 0.06 -0.04 1.22 1.23 3ghgH1 ASN 164 H -0.00 1.01 0.14 -0.55 8.53 9.13 3ghgH1 ASN 164 HA -0.00 0.00 0.59 -0.75 4.76 4.60 3ghgH1 ASN 164 HB2 -0.00 0.04 -0.08 -0.04 2.88 2.80 3ghgH1 ASN 164 HB3 -0.00 0.08 0.11 -0.04 2.79 2.94 3ghgH1 ASN 164 HD21 -0.00 -0.01 0.02 -0.04 7.03 7.00 3ghgH1 ASN 164 HD22 -0.00 0.01 0.04 -0.04 7.74 7.75 3ghgH1 LEU 165 H -0.00 1.07 0.11 -0.55 8.37 9.00 3ghgH1 LEU 165 HA -0.00 -0.02 0.43 -0.75 4.35 4.01 3ghgH1 LEU 165 HB2 -0.00 0.10 0.14 -0.04 1.64 1.84 3ghgH1 LEU 165 HB3 -0.00 -0.04 -0.01 -0.04 1.64 1.55 3ghgH1 LEU 165 HG 0.00 0.09 -0.01 -0.04 1.64 1.68 3ghgH1 LEU 165 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.82 3ghgH1 LEU 165 HD23 -0.00 -0.02 0.00 -0.04 0.89 0.83 3ghgH1 ARG 166 H -0.00 0.18 -0.76 -0.55 8.46 7.32 3ghgH1 ARG 166 HA -0.00 0.04 0.47 -0.75 4.34 4.09 3ghgH1 ARG 166 HB2 -0.00 0.25 0.23 -0.04 1.90 2.33 3ghgH1 ARG 166 HB3 -0.01 0.11 0.19 -0.04 1.80 2.05 3ghgH1 ARG 166 HG2 -0.01 -0.06 0.09 -0.04 1.67 1.66 3ghgH1 ARG 166 HG3 -0.01 0.01 0.04 -0.04 1.67 1.67 3ghgH1 ARG 166 HD2 -0.01 -0.03 -0.28 -0.04 3.22 2.86 3ghgH1 ARG 166 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 3ghgH1 VAL 167 H -0.01 0.47 -0.04 -0.55 8.24 8.11 3ghgH1 VAL 167 HA -0.01 0.05 0.59 -0.75 4.13 4.01 3ghgH1 VAL 167 HB -0.01 0.07 0.16 -0.04 2.12 2.31 3ghgH1 VAL 167 HG13 -0.00 0.08 0.07 -0.04 0.97 1.07 3ghgH1 VAL 167 HG23 -0.01 -0.02 0.01 -0.04 0.95 0.89 3ghgH1 LEU 168 H -0.00 0.50 -0.10 -0.55 8.37 8.22 3ghgH1 LEU 168 HA -0.01 -0.02 0.33 -0.75 4.35 3.89 3ghgH1 LEU 168 HB2 -0.00 0.17 0.14 -0.04 1.64 1.90 3ghgH1 LEU 168 HB3 -0.00 0.02 -0.06 -0.04 1.64 1.55 3ghgH1 LEU 168 HG -0.00 -0.05 0.06 -0.04 1.64 1.61 3ghgH1 LEU 168 HD13 -0.00 0.01 0.00 -0.04 0.93 0.90 3ghgH1 LEU 168 HD23 -0.00 -0.00 -0.02 -0.04 0.89 0.83 3ghgH1 ARG 169 H -0.00 0.49 -0.31 -0.55 8.46 8.08 3ghgH1 ARG 169 HA -0.00 0.00 0.55 -0.75 4.34 4.13 3ghgH1 ARG 169 HB2 -0.00 0.15 0.17 -0.04 1.90 2.18 3ghgH1 ARG 169 HB3 -0.00 0.12 0.18 -0.04 1.80 2.06 3ghgH1 ARG 169 HG2 -0.00 -0.01 -0.11 -0.04 1.67 1.50 3ghgH1 ARG 169 HG3 -0.00 -0.06 0.03 -0.04 1.67 1.59 3ghgH1 ARG 169 HD2 -0.00 0.01 0.02 -0.04 3.22 3.21 3ghgH1 ARG 169 HD3 -0.00 -0.03 -0.01 -0.04 3.22 3.14 3ghgH1 SER 170 H -0.01 0.55 -0.06 -0.55 8.46 8.40 3ghgH1 SER 170 HA -0.01 -0.03 0.26 -0.75 4.49 3.96 3ghgH1 SER 170 HB2 -0.01 0.02 0.18 -0.04 3.95 4.09 3ghgH1 SER 170 HB3 -0.01 0.08 0.27 -0.04 3.93 4.24 3ghgH1 ILE 171 H -0.01 0.64 -0.16 -0.55 8.25 8.17 3ghgH1 ILE 171 HA -0.01 0.04 0.48 -0.75 4.18 3.94 3ghgH1 ILE 171 HB -0.01 0.02 0.07 -0.04 1.89 1.93 3ghgH1 ILE 171 HG12 -0.01 -0.03 -0.22 -0.04 1.49 1.19 3ghgH1 ILE 171 HG13 -0.02 -0.02 0.02 -0.04 1.21 1.16 3ghgH1 ILE 171 HG23 -0.01 0.04 0.08 -0.04 0.93 1.00 3ghgH1 ILE 171 HD13 -0.01 -0.00 -0.03 -0.04 0.88 0.80 3ghgH1 LEU 172 H -0.01 0.51 0.09 -0.55 8.37 8.42 3ghgH1 LEU 172 HA -0.01 -0.03 0.44 -0.75 4.35 3.99 3ghgH1 LEU 172 HB2 -0.01 -0.03 0.17 -0.04 1.64 1.73 3ghgH1 LEU 172 HB3 -0.01 0.22 0.19 -0.04 1.64 2.00 3ghgH1 LEU 172 HG -0.01 -0.08 0.12 -0.04 1.64 1.63 3ghgH1 LEU 172 HD13 -0.00 -0.01 0.03 -0.04 0.93 0.91 3ghgH1 LEU 172 HD23 -0.00 0.01 -0.10 -0.04 0.89 0.75 3ghgH1 GLU 173 H -0.01 0.60 -0.32 -0.55 8.60 8.32 3ghgH1 GLU 173 HA -0.01 0.00 0.60 -0.75 4.29 4.13 3ghgH1 GLU 173 HB2 -0.01 0.03 0.05 -0.04 2.09 2.13 3ghgH1 GLU 173 HB3 -0.01 0.14 0.05 -0.04 1.99 2.12 3ghgH1 GLU 173 HG2 -0.01 -0.01 -0.21 -0.04 2.34 2.08 3ghgH1 GLU 173 HG3 -0.01 -0.06 0.00 -0.04 2.34 2.24 3ghgH1 ASN 174 H -0.01 0.54 -0.00 -0.55 8.53 8.51 3ghgH1 ASN 174 HA -0.01 -0.02 0.49 -0.75 4.76 4.46 3ghgH1 ASN 174 HB2 -0.01 0.07 0.23 -0.04 2.88 3.13 3ghgH1 ASN 174 HB3 -0.01 0.19 0.31 -0.04 2.79 3.24 3ghgH1 ASN 174 HD21 -0.02 -0.03 0.02 -0.04 7.03 6.96 3ghgH1 ASN 174 HD22 -0.01 0.02 0.05 -0.04 7.74 7.76 3ghgH1 LEU 175 H -0.01 0.48 -0.21 -0.55 8.37 8.09 3ghgH1 LEU 175 HA -0.02 -0.01 0.45 -0.75 4.35 4.02 3ghgH1 LEU 175 HB2 -0.01 0.13 0.19 -0.04 1.64 1.91 3ghgH1 LEU 175 HB3 -0.01 -0.06 0.03 -0.04 1.64 1.56 3ghgH1 LEU 175 HG -0.01 0.13 -0.01 -0.04 1.64 1.70 3ghgH1 LEU 175 HD13 -0.01 -0.01 -0.00 -0.04 0.93 0.87 3ghgH1 LEU 175 HD23 -0.02 -0.03 -0.04 -0.04 0.89 0.76 3ghgH1 ARG 176 H -0.01 0.54 0.00 -0.55 8.46 8.44 3ghgH1 ARG 176 HA -0.01 -0.03 0.32 -0.75 4.34 3.87 3ghgH1 ARG 176 HB2 -0.01 0.13 0.23 -0.04 1.90 2.21 3ghgH1 ARG 176 HB3 -0.01 0.11 0.08 -0.04 1.80 1.94 3ghgH1 ARG 176 HG2 -0.01 -0.02 -0.02 -0.04 1.67 1.58 3ghgH1 ARG 176 HG3 -0.01 -0.04 0.08 -0.04 1.67 1.66 3ghgH1 ARG 176 HD2 -0.01 0.03 0.03 -0.04 3.22 3.24 3ghgH1 ARG 176 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 3ghgH1 SER 177 H -0.01 0.33 -0.62 -0.55 8.46 7.62 3ghgH1 SER 177 HA -0.01 0.04 0.65 -0.75 4.49 4.42 3ghgH1 SER 177 HB2 -0.01 -0.07 0.03 -0.04 3.95 3.86 3ghgH1 SER 177 HB3 -0.01 0.00 0.07 -0.04 3.93 3.96 3ghgH1 LYS 178 H -0.01 0.52 0.25 -0.55 8.42 8.62 3ghgH1 LYS 178 HA -0.02 -0.02 0.53 -0.75 4.32 4.07 3ghgH1 LYS 178 HB2 -0.02 0.00 0.29 -0.04 1.87 2.11 3ghgH1 LYS 178 HB3 -0.02 -0.06 0.07 -0.04 1.79 1.74 3ghgH1 LYS 178 HG2 -0.02 0.22 0.16 -0.04 1.46 1.78 3ghgH1 LYS 178 HG3 -0.02 -0.04 0.02 -0.04 1.46 1.38 3ghgH1 LYS 178 HD2 -0.02 -0.03 0.05 -0.04 1.69 1.65 3ghgH1 LYS 178 HD3 -0.02 -0.03 0.06 -0.04 1.68 1.66 3ghgH1 LYS 178 HE2 -0.02 -0.02 0.02 -0.04 2.99 2.93 3ghgH1 LYS 178 HE3 -0.02 0.02 0.03 -0.04 2.99 2.98 3ghgH1 ILE 179 H -0.01 0.80 0.01 -0.55 8.25 8.50 3ghgH1 ILE 179 HA -0.01 -0.03 0.31 -0.75 4.18 3.70 3ghgH1 ILE 179 HB -0.01 -0.04 0.00 -0.04 1.89 1.79 3ghgH1 ILE 179 HG12 -0.01 -0.05 0.09 -0.04 1.49 1.47 3ghgH1 ILE 179 HG13 -0.01 -0.01 -0.01 -0.04 1.21 1.14 3ghgH1 ILE 179 HG23 -0.01 0.06 -0.16 -0.04 0.93 0.78 3ghgH1 ILE 179 HD13 -0.01 0.01 -0.15 -0.04 0.88 0.69 3ghgH1 GLN 180 H -0.01 0.34 -0.47 -0.55 8.47 7.78 3ghgH1 GLN 180 HA -0.01 0.05 0.72 -0.75 4.36 4.36 3ghgH1 GLN 180 HB2 -0.01 -0.09 0.12 -0.04 2.15 2.13 3ghgH1 GLN 180 HB3 -0.01 0.11 0.17 -0.04 2.02 2.25 3ghgH1 GLN 180 HG2 -0.01 -0.07 0.08 -0.04 2.40 2.36 3ghgH1 GLN 180 HG3 -0.01 0.22 0.28 -0.04 2.39 2.84 3ghgH1 GLN 180 HE21 -0.01 -0.04 -0.09 -0.04 6.97 6.79 3ghgH1 GLN 180 HE22 -0.01 -0.02 -0.05 -0.04 7.69 7.58 3ghgH1 LYS 181 H -0.01 0.60 -0.07 -0.55 8.42 8.39 3ghgH1 LYS 181 HA -0.01 0.03 0.43 -0.75 4.32 4.03 3ghgH1 LYS 181 HB2 -0.01 -0.08 0.08 -0.04 1.87 1.83 3ghgH1 LYS 181 HB3 -0.01 0.08 0.14 -0.04 1.79 1.96 3ghgH1 LYS 181 HG2 -0.02 -0.06 0.09 -0.04 1.46 1.43 3ghgH1 LYS 181 HG3 -0.01 0.39 0.36 -0.04 1.46 2.15 3ghgH1 LYS 181 HD2 -0.02 -0.03 0.00 -0.04 1.69 1.60 3ghgH1 LYS 181 HD3 -0.02 -0.02 -0.43 -0.04 1.68 1.17 3ghgH1 LYS 181 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 3ghgH1 LYS 181 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 3ghgH1 LEU 182 H -0.01 0.58 0.04 -0.55 8.37 8.43 3ghgH1 LEU 182 HA -0.01 0.00 0.49 -0.75 4.35 4.07 3ghgH1 LEU 182 HB2 -0.01 0.14 0.15 -0.04 1.64 1.87 3ghgH1 LEU 182 HB3 -0.01 -0.02 0.03 -0.04 1.64 1.59 3ghgH1 LEU 182 HG -0.02 -0.03 0.05 -0.04 1.64 1.60 3ghgH1 LEU 182 HD13 -0.02 0.02 0.04 -0.04 0.93 0.93 3ghgH1 LEU 182 HD23 -0.02 0.01 -0.03 -0.04 0.89 0.81 3ghgH1 GLU 183 H -0.01 0.36 -0.26 -0.55 8.60 8.15 3ghgH1 GLU 183 HA -0.01 -0.07 0.25 -0.75 4.29 3.71 3ghgH1 GLU 183 HB2 -0.01 0.12 0.18 -0.04 2.09 2.34 3ghgH1 GLU 183 HB3 -0.01 0.25 0.07 -0.04 1.99 2.25 3ghgH1 GLU 183 HG2 -0.01 -0.03 0.04 -0.04 2.34 2.31 3ghgH1 GLU 183 HG3 -0.01 -0.05 0.08 -0.04 2.34 2.31 3ghgH1 SER 184 H -0.01 0.37 -0.66 -0.55 8.46 7.62 3ghgH1 SER 184 HA -0.01 0.04 0.74 -0.75 4.49 4.51 3ghgH1 SER 184 HB2 -0.00 -0.09 0.11 -0.04 3.95 3.93 3ghgH1 SER 184 HB3 -0.01 0.03 0.17 -0.04 3.93 4.08 3ghgH1 ASP 185 H -0.00 0.72 0.35 -0.55 8.40 8.92 3ghgH1 ASP 185 HA 0.02 0.03 0.64 -0.75 4.63 4.57 3ghgH1 ASP 185 HB2 -0.01 0.03 0.29 -0.04 2.71 2.98 3ghgH1 ASP 185 HB3 0.00 -0.05 0.06 -0.04 2.70 2.67 3ghgH1 VAL 186 H -0.00 0.44 -0.01 -0.55 8.24 8.11 3ghgH1 VAL 186 HA 0.00 0.04 0.37 -0.75 4.13 3.79 3ghgH1 VAL 186 HB -0.01 0.04 -0.05 -0.04 2.12 2.06 3ghgH1 VAL 186 HG13 -0.00 0.01 -0.12 -0.04 0.97 0.81 3ghgH1 VAL 186 HG23 -0.01 -0.00 -0.02 -0.04 0.95 0.88 3ghgH1 SER 187 H -0.01 0.26 -0.56 -0.55 8.46 7.61 3ghgH1 SER 187 HA -0.02 0.04 0.56 -0.75 4.49 4.32 3ghgH1 SER 187 HB2 -0.02 0.02 0.14 -0.04 3.95 4.05 3ghgH1 SER 187 HB3 -0.01 0.14 0.17 -0.04 3.93 4.18 3ghgH1 ALA 188 H -0.00 0.36 -0.22 -0.55 8.40 8.00 3ghgH1 ALA 188 HA -0.08 0.01 0.64 -0.75 4.34 4.16 3ghgH1 ALA 188 HB3 0.09 0.04 0.21 -0.04 1.41 1.70 3ghgH1 GLN 189 H 0.03 0.60 -0.08 -0.55 8.47 8.47 3ghgH1 GLN 189 HA 0.16 0.01 0.43 -0.75 4.36 4.20 3ghgH1 GLN 189 HB2 0.06 0.01 0.06 -0.04 2.15 2.24 3ghgH1 GLN 189 HB3 0.03 0.07 0.01 -0.04 2.02 2.10 3ghgH1 GLN 189 HG2 0.04 -0.02 -0.00 -0.04 2.40 2.37 3ghgH1 GLN 189 HG3 0.05 0.01 0.07 -0.04 2.39 2.48 3ghgH1 GLN 189 HE21 0.08 0.01 -0.04 -0.04 6.97 6.97 3ghgH1 GLN 189 HE22 0.08 0.04 -0.08 -0.04 7.69 7.68 3ghgH1 MET 190 H -0.03 0.26 -0.58 -0.55 8.47 7.57 3ghgH1 MET 190 HA -0.02 0.13 0.73 -0.75 4.52 4.61 3ghgH1 MET 190 HB2 -0.05 0.14 0.09 -0.04 2.15 2.29 3ghgH1 MET 190 HB3 -0.03 -0.04 0.01 -0.04 2.03 1.93 3ghgH1 MET 190 HG2 -0.02 0.26 0.11 -0.04 2.63 2.95 3ghgH1 MET 190 HG3 -0.02 -0.06 0.03 -0.04 2.56 2.47 3ghgH1 MET 190 HE3 -0.01 -0.01 -0.04 -0.04 2.10 2.00 3ghgH1 GLU 191 H -0.18 0.37 -0.15 -0.55 8.60 8.10 3ghgH1 GLU 191 HA -0.14 0.08 0.42 -0.75 4.29 3.89 3ghgH1 GLU 191 HB2 -0.45 0.18 0.23 -0.04 2.09 2.01 3ghgH1 GLU 191 HB3 -0.46 -0.04 0.04 -0.04 1.99 1.50 3ghgH1 GLU 191 HG2 -0.17 0.00 0.07 -0.04 2.34 2.21 3ghgH1 GLU 191 HG3 -0.14 -0.04 0.06 -0.04 2.34 2.18 3ghgH1 TYR 192 H -0.24 0.31 -0.09 -0.55 8.29 7.72 3ghgH1 TYR 192 HA -0.00 0.11 0.71 -0.75 4.56 4.62 3ghgH1 TYR 192 HB2 -0.01 0.02 0.03 -0.04 3.06 3.06 3ghgH1 TYR 192 HB3 -0.01 -0.00 0.15 -0.04 2.98 3.08 3ghgH1 TYR 192 HD2 -0.01 0.01 -0.07 -0.04 7.15 7.04 3ghgH1 TYR 192 HE2 -0.01 -0.03 -0.02 -0.04 6.85 6.75 3ghgH1 CYS 193 H 0.01 0.16 -0.84 -0.55 8.50 7.28 3ghgH1 CYS 193 HA 0.04 0.20 0.62 -0.75 4.58 4.69 3ghgH1 CYS 193 HB2 0.01 0.15 0.15 -0.04 2.97 3.24 3ghgH1 CYS 193 HB3 0.02 -0.07 0.17 -0.04 2.97 3.04 3ghgH1 ARG 194 H -0.01 0.26 -0.36 -0.55 8.46 7.80 3ghgH1 ARG 194 HA -0.01 0.09 0.77 -0.75 4.34 4.43 3ghgH1 ARG 194 HB2 -0.01 0.09 0.16 -0.04 1.90 2.09 3ghgH1 ARG 194 HB3 -0.01 -0.08 0.05 -0.04 1.80 1.71 3ghgH1 ARG 194 HG2 -0.03 -0.03 0.07 -0.04 1.67 1.63 3ghgH1 ARG 194 HG3 -0.06 0.08 0.18 -0.04 1.67 1.84 3ghgH1 ARG 194 HD2 -0.07 -0.01 0.11 -0.04 3.22 3.20 3ghgH1 ARG 194 HD3 -0.03 -0.04 0.05 -0.04 3.22 3.16 3ghgH1 THR 195 H 0.03 0.14 -0.16 -0.55 8.28 7.75 3ghgH1 THR 195 HA 0.02 0.20 0.84 -0.75 4.39 4.69 3ghgH1 THR 195 HB 0.03 0.07 -0.04 -0.04 4.32 4.34 3ghgH1 THR 195 HG23 0.02 -0.02 -0.08 -0.04 1.22 1.10 3ghgH1 PRO 196 HA 0.02 0.05 0.63 -0.51 4.44 4.63 3ghgH1 PRO 196 HB2 0.02 0.12 0.03 -0.04 2.28 2.41 3ghgH1 PRO 196 HB3 0.02 -0.00 0.08 -0.04 2.02 2.07 3ghgH1 PRO 196 HG2 0.01 0.02 0.06 -0.04 2.03 2.09 3ghgH1 PRO 196 HG3 0.01 0.00 0.07 -0.04 2.03 2.07 3ghgH1 PRO 196 HD2 0.01 0.04 0.23 -0.04 3.68 3.92 3ghgH1 PRO 196 HD3 0.01 0.26 0.10 -0.04 3.65 3.98 3ghgH1 CYS 197 H 0.02 0.06 0.16 -0.55 8.50 8.19 3ghgH1 CYS 197 HA 0.01 0.08 0.47 -0.75 4.58 4.39 3ghgH1 CYS 197 HB2 0.01 -0.00 0.09 -0.04 2.97 3.03 3ghgH1 CYS 197 HB3 0.01 0.03 0.13 -0.04 2.97 3.10 3ghgH1 THR 198 H 0.01 0.19 0.20 -0.55 8.28 8.12 3ghgH1 THR 198 HA 0.01 0.18 0.84 -0.75 4.39 4.67 3ghgH1 THR 198 HB 0.01 0.05 -0.00 -0.04 4.32 4.33 3ghgH1 THR 198 HG23 0.01 0.04 -0.12 -0.04 1.22 1.11 3ghgH1 VAL 199 H 0.01 0.21 0.16 -0.55 8.24 8.07 3ghgH1 VAL 199 HA 0.00 0.18 0.71 -0.75 4.13 4.26 3ghgH1 VAL 199 HB 0.00 -0.08 0.03 -0.04 2.12 2.03 3ghgH1 VAL 199 HG13 0.01 0.03 0.05 -0.04 0.97 1.01 3ghgH1 VAL 199 HG23 0.01 0.02 -0.03 -0.04 0.95 0.90 3ghgH1 SER 200 H -0.00 0.17 -0.04 -0.55 8.46 8.04 3ghgH1 SER 200 HA 0.00 0.15 0.61 -0.75 4.49 4.49 3ghgH1 SER 200 HB2 -0.00 -0.01 0.12 -0.04 3.95 4.01 3ghgH1 SER 200 HB3 0.00 0.04 0.04 -0.04 3.93 3.97 3ghgH1 CYS 201 H 0.00 0.23 -0.08 -0.55 8.50 8.11 3ghgH1 CYS 201 HA 0.01 0.07 0.92 -0.75 4.58 4.84 3ghgH1 CYS 201 HB2 0.01 0.03 0.09 -0.04 2.97 3.06 3ghgH1 CYS 201 HB3 0.01 0.08 -0.04 -0.04 2.97 2.98 3ghgH1 ASN 202 H 0.03 0.49 0.10 -0.55 8.53 8.60 3ghgH1 ASN 202 HA 0.01 0.02 0.65 -0.75 4.76 4.67 3ghgH1 ASN 202 HB2 0.04 0.07 0.05 -0.04 2.88 3.01 3ghgH1 ASN 202 HB3 0.01 0.05 -0.04 -0.04 2.79 2.77 3ghgH1 ASN 202 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.95 3ghgH1 ASN 202 HD22 0.03 0.02 0.05 -0.04 7.74 7.80 3ghgH1 ILE 203 H -0.01 0.08 0.17 -0.55 8.25 7.95 3ghgH1 ILE 203 HA -0.04 0.10 0.27 -0.75 4.18 3.76 3ghgH1 ILE 203 HB -0.01 -0.09 0.07 -0.04 1.89 1.81 3ghgH1 ILE 203 HG12 -0.01 0.01 -0.04 -0.04 1.49 1.41 3ghgH1 ILE 203 HG13 -0.01 0.04 0.04 -0.04 1.21 1.24 3ghgH1 ILE 203 HG23 -0.02 0.04 -0.16 -0.04 0.93 0.75 3ghgH1 ILE 203 HD13 -0.00 -0.02 0.01 -0.04 0.88 0.83 3ghgH1 PRO 204 HA -0.09 -0.01 0.58 -0.51 4.44 4.41 3ghgH1 PRO 204 HB2 -0.04 0.11 -0.08 -0.04 2.28 2.22 3ghgH1 PRO 204 HB3 -0.18 -0.08 0.03 -0.04 2.02 1.75 3ghgH1 PRO 204 HG2 -0.66 0.04 0.04 -0.04 2.03 1.42 3ghgH1 PRO 204 HG3 -0.37 -0.03 0.01 -0.04 2.03 1.61 3ghgH1 PRO 204 HD2 -0.11 0.02 0.22 -0.04 3.68 3.77 3ghgH1 PRO 204 HD3 -0.12 0.20 0.17 -0.04 3.65 3.87 3ghgH1 VAL 205 H -0.03 0.02 0.10 -0.55 8.24 7.78 3ghgH1 VAL 205 HA -0.01 0.08 0.11 -0.75 4.13 3.56 3ghgH1 VAL 205 HB -0.01 -0.11 0.18 -0.04 2.12 2.14 3ghgH1 VAL 205 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 3ghgH1 VAL 205 HG23 -0.02 0.01 0.04 -0.04 0.95 0.94 3ghgH1 VAL 206 H 0.01 -0.02 0.02 -0.55 8.24 7.70 3ghgH1 VAL 206 HA 0.00 0.01 0.42 -0.75 4.13 3.81 3ghgH1 VAL 206 HB 0.01 0.05 0.02 -0.04 2.12 2.16 3ghgH1 VAL 206 HG13 0.09 -0.02 -0.09 -0.04 0.97 0.91 3ghgH1 VAL 206 HG23 0.01 -0.01 -0.25 -0.04 0.95 0.65 3ghgH1 SER 207 H -0.01 0.05 0.02 -0.55 8.46 7.98 3ghgH1 SER 207 HA 0.00 0.06 0.66 -0.75 4.49 4.46 3ghgH1 SER 207 HB2 -0.00 0.16 -0.05 -0.04 3.95 4.03 3ghgH1 SER 207 HB3 -0.01 -0.04 -0.13 -0.04 3.93 3.71 3ghgH1 GLY 208 H -0.06 0.11 0.03 -0.55 8.43 7.96 3ghgH1 GLY 208 HA2 -0.05 0.14 0.21 -0.51 4.01 3.80 3ghgH1 GLY 208 HA3 -0.06 -0.07 0.23 -0.51 4.01 3.59 3ghgH1 LYS 209 H -0.05 0.07 0.16 -0.55 8.42 8.05 3ghgH1 LYS 209 HA -0.06 0.45 0.57 -0.75 4.32 4.53 3ghgH1 LYS 209 HB2 -0.05 -0.14 0.18 -0.04 1.87 1.82 3ghgH1 LYS 209 HB3 -0.04 0.06 0.07 -0.04 1.79 1.84 3ghgH1 LYS 209 HG2 -0.04 0.02 0.06 -0.04 1.46 1.47 3ghgH1 LYS 209 HG3 -0.04 0.11 0.10 -0.04 1.46 1.60 3ghgH1 LYS 209 HD2 -0.04 -0.09 0.11 -0.04 1.69 1.64 3ghgH1 LYS 209 HD3 -0.03 0.02 0.04 -0.04 1.68 1.67 3ghgH1 LYS 209 HE2 -0.03 0.04 0.00 -0.04 2.99 2.96 3ghgH1 LYS 209 HE3 -0.04 -0.02 -0.07 -0.04 2.99 2.82 3ghgH1 GLU 210 H -0.06 0.03 0.04 -0.55 8.60 8.07 3ghgH1 GLU 210 HA -0.05 0.27 0.50 -0.75 4.29 4.25 3ghgH1 GLU 210 HB2 -0.03 -0.02 0.11 -0.04 2.09 2.11 3ghgH1 GLU 210 HB3 -0.02 0.24 -0.15 -0.04 1.99 2.02 3ghgH1 GLU 210 HG2 -0.05 0.17 -0.05 -0.04 2.34 2.37 3ghgH1 GLU 210 HG3 -0.05 -0.07 -0.10 -0.04 2.34 2.07 3ghgH1 CYS 211 H -0.03 0.30 0.05 -0.55 8.50 8.27 3ghgH1 CYS 211 HA -0.15 0.05 0.20 -0.75 4.58 3.92 3ghgH1 CYS 211 HB2 -0.02 0.10 -0.33 -0.04 2.97 2.69 3ghgH1 CYS 211 HB3 -0.07 -0.01 -0.30 -0.04 2.97 2.56 3ghgH1 GLU 212 H -0.09 0.07 -0.29 -0.55 8.60 7.75 3ghgH1 GLU 212 HA -0.13 0.12 0.84 -0.75 4.29 4.37 3ghgH1 GLU 212 HB2 -0.18 0.24 0.17 -0.04 2.09 2.28 3ghgH1 GLU 212 HB3 -0.08 -0.08 0.12 -0.04 1.99 1.92 3ghgH1 GLU 212 HG2 0.07 0.10 -0.03 -0.04 2.34 2.44 3ghgH1 GLU 212 HG3 0.06 -0.08 -0.28 -0.04 2.34 2.00 3ghgH1 GLU 213 H -0.06 0.09 -0.02 -0.55 8.60 8.07 3ghgH1 GLU 213 HA -0.01 0.13 0.48 -0.75 4.29 4.13 3ghgH1 GLU 213 HB2 -0.04 -0.06 0.21 -0.04 2.09 2.15 3ghgH1 GLU 213 HB3 -0.05 -0.06 0.07 -0.04 1.99 1.91 3ghgH1 GLU 213 HG2 0.00 0.06 0.10 -0.04 2.34 2.46 3ghgH1 GLU 213 HG3 -0.02 0.04 0.07 -0.04 2.34 2.40 3ghgH1 ILE 214 H -0.11 0.32 -0.34 -0.55 8.25 7.57 3ghgH1 ILE 214 HA -0.10 0.05 0.48 -0.75 4.18 3.85 3ghgH1 ILE 214 HB -0.27 0.12 0.02 -0.04 1.89 1.72 3ghgH1 ILE 214 HG12 -0.10 -0.06 -0.04 -0.04 1.49 1.24 3ghgH1 ILE 214 HG13 -0.12 0.12 -0.09 -0.04 1.21 1.08 3ghgH1 ILE 214 HG23 -0.48 0.02 -0.25 -0.04 0.93 0.18 3ghgH1 ILE 214 HD13 -0.13 0.06 -0.12 -0.04 0.88 0.64 3ghgH1 ILE 215 H -0.16 0.36 -0.08 -0.55 8.25 7.82 3ghgH1 ILE 215 HA -0.12 0.06 0.48 -0.75 4.18 3.84 3ghgH1 ILE 215 HB -0.13 -0.01 0.21 -0.04 1.89 1.91 3ghgH1 ILE 215 HG12 -0.06 0.03 -0.03 -0.04 1.49 1.38 3ghgH1 ILE 215 HG13 -0.07 0.01 -0.16 -0.04 1.21 0.95 3ghgH1 ILE 215 HG23 -0.11 0.02 0.09 -0.04 0.93 0.89 3ghgH1 ILE 215 HD13 -0.05 0.01 0.01 -0.04 0.88 0.81 3ghgH1 ARG 216 H -0.08 0.42 -0.27 -0.55 8.46 7.98 3ghgH1 ARG 216 HA -0.06 0.08 0.55 -0.75 4.34 4.14 3ghgH1 ARG 216 HB2 -0.04 0.06 0.10 -0.04 1.90 1.98 3ghgH1 ARG 216 HB3 -0.04 -0.02 -0.04 -0.04 1.80 1.66 3ghgH1 ARG 216 HG2 -0.09 -0.03 0.02 -0.04 1.67 1.53 3ghgH1 ARG 216 HG3 -0.09 0.01 -0.01 -0.04 1.67 1.53 3ghgH1 ARG 216 HD2 -0.19 -0.01 -0.03 -0.04 3.22 2.95 3ghgH1 ARG 216 HD3 -0.01 0.04 -0.07 -0.04 3.22 3.14 3ghgH1 LYS 217 H -0.06 0.30 -0.24 -0.55 8.42 7.86 3ghgH1 LYS 217 HA -0.03 0.03 0.65 -0.75 4.32 4.21 3ghgH1 LYS 217 HB2 -0.06 0.07 0.23 -0.04 1.87 2.07 3ghgH1 LYS 217 HB3 -0.04 -0.10 0.00 -0.04 1.79 1.62 3ghgH1 LYS 217 HG2 -0.03 -0.02 0.06 -0.04 1.46 1.44 3ghgH1 LYS 217 HG3 -0.04 0.16 0.06 -0.04 1.46 1.60 3ghgH1 LYS 217 HD2 -0.04 -0.10 -0.08 -0.04 1.69 1.43 3ghgH1 LYS 217 HD3 -0.03 -0.02 -0.02 -0.04 1.68 1.58 3ghgH1 LYS 217 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.91 3ghgH1 LYS 217 HE3 -0.03 -0.04 -0.08 -0.04 2.99 2.80 3ghgH1 GLY 218 H -0.06 0.20 -0.46 -0.55 8.43 7.56 3ghgH1 GLY 218 HA2 -0.04 0.16 0.17 -0.51 4.01 3.79 3ghgH1 GLY 218 HA3 -0.03 0.07 0.37 -0.51 4.01 3.91 3ghgH1 GLY 219 H -0.08 0.24 0.00 -0.55 8.43 8.05 3ghgH1 GLY 219 HA2 0.02 0.09 0.82 -0.51 4.01 4.44 3ghgH1 GLY 219 HA3 0.02 -0.00 0.21 -0.51 4.01 3.73 3ghgH1 GLU 220 H 0.02 0.10 0.08 -0.55 8.60 8.26 3ghgH1 GLU 220 HA -0.00 0.20 0.33 -0.75 4.29 4.06 3ghgH1 GLU 220 HB2 0.01 -0.03 -0.04 -0.04 2.09 1.99 3ghgH1 GLU 220 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 3ghgH1 GLU 220 HG2 -0.00 -0.00 0.03 -0.04 2.34 2.32 3ghgH1 GLU 220 HG3 -0.00 -0.01 -0.02 -0.04 2.34 2.27 3ghgH1 THR 221 H 0.08 -0.01 -0.04 -0.55 8.28 7.76 3ghgH1 THR 221 HA 0.07 0.02 0.26 -0.75 4.39 3.98 3ghgH1 THR 221 HB 0.06 0.11 -0.10 -0.04 4.32 4.36 3ghgH1 THR 221 HG23 -0.04 -0.02 0.00 -0.04 1.22 1.13 3ghgH1 SER 222 H 0.10 0.08 0.18 -0.55 8.46 8.28 3ghgH1 SER 222 HA 0.05 0.24 0.89 -0.75 4.49 4.91 3ghgH1 SER 222 HB2 0.16 0.02 0.27 -0.04 3.95 4.36 3ghgH1 SER 222 HB3 0.25 0.07 0.19 -0.04 3.93 4.39 3ghgH1 GLU 223 H -0.14 0.46 0.31 -0.55 8.60 8.68 3ghgH1 GLU 223 HA 0.03 0.12 0.38 -0.75 4.29 4.06 3ghgH1 GLU 223 HB2 0.14 0.03 -0.04 -0.04 2.09 2.18 3ghgH1 GLU 223 HB3 0.15 0.03 -0.33 -0.04 1.99 1.80 3ghgH1 GLU 223 HG2 -0.33 -0.01 -0.35 -0.04 2.34 1.60 3ghgH1 GLU 223 HG3 -0.88 0.02 -0.67 -0.04 2.34 0.76 3ghgH1 MET 224 H -0.00 0.39 0.12 -0.55 8.47 8.43 3ghgH1 MET 224 HA -0.03 0.05 0.58 -0.75 4.52 4.36 3ghgH1 MET 224 HB2 0.15 -0.01 -0.05 -0.04 2.15 2.19 3ghgH1 MET 224 HB3 0.02 -0.06 0.11 -0.04 2.03 2.06 3ghgH1 MET 224 HG2 0.03 0.34 -0.11 -0.04 2.63 2.85 3ghgH1 MET 224 HG3 0.04 -0.12 -0.21 -0.04 2.56 2.23 3ghgH1 MET 224 HE3 0.01 -0.02 -0.11 -0.04 2.10 1.94 3ghgH1 TYR 225 H 0.18 0.23 0.32 -0.55 8.29 8.47 3ghgH1 TYR 225 HA -0.04 0.17 0.76 -0.75 4.56 4.69 3ghgH1 TYR 225 HB2 -0.06 -0.03 -0.03 -0.04 3.06 2.90 3ghgH1 TYR 225 HB3 -0.05 0.02 0.11 -0.04 2.98 3.01 3ghgH1 TYR 225 HD2 -0.10 0.07 -0.01 -0.04 7.15 7.07 3ghgH1 TYR 225 HE2 -0.10 0.01 -0.02 -0.04 6.85 6.70 3ghgH1 LEU 226 H 0.10 0.32 0.18 -0.55 8.37 8.43 3ghgH1 LEU 226 HA -0.02 0.14 0.73 -0.75 4.35 4.46 3ghgH1 LEU 226 HB2 -0.01 -0.03 -0.14 -0.04 1.64 1.42 3ghgH1 LEU 226 HB3 -0.01 0.11 0.05 -0.04 1.64 1.74 3ghgH1 LEU 226 HG -0.07 0.02 -0.21 -0.04 1.64 1.34 3ghgH1 LEU 226 HD13 -0.03 0.03 -0.29 -0.04 0.93 0.60 3ghgH1 LEU 226 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 3ghgH1 ILE 227 H -0.26 0.56 0.26 -0.55 8.25 8.26 3ghgH1 ILE 227 HA -0.13 0.20 0.70 -0.75 4.18 4.20 3ghgH1 ILE 227 HB -0.13 0.19 -0.36 -0.04 1.89 1.56 3ghgH1 ILE 227 HG12 -0.42 0.04 -0.04 -0.04 1.49 1.03 3ghgH1 ILE 227 HG13 -0.29 0.09 -0.31 -0.04 1.21 0.66 3ghgH1 ILE 227 HG23 -0.05 -0.07 -0.48 -0.04 0.93 0.29 3ghgH1 ILE 227 HD13 0.02 -0.04 -0.06 -0.04 0.88 0.76 3ghgH1 GLN 228 H -0.14 0.62 0.08 -0.55 8.47 8.49 3ghgH1 GLN 228 HA -0.21 0.23 0.77 -0.75 4.36 4.39 3ghgH1 GLN 228 HB2 -0.10 -0.04 -0.07 -0.04 2.15 1.90 3ghgH1 GLN 228 HB3 -0.07 -0.01 0.11 -0.04 2.02 2.01 3ghgH1 GLN 228 HG2 -0.04 -0.24 -0.29 -0.04 2.40 1.80 3ghgH1 GLN 228 HG3 -0.05 0.39 -0.03 -0.04 2.39 2.66 3ghgH1 GLN 228 HE21 -0.01 -0.08 -0.01 -0.04 6.97 6.82 3ghgH1 GLN 228 HE22 -0.01 0.31 -0.01 -0.04 7.69 7.94 3ghgH1 PRO 229 HA -0.04 0.05 0.84 -0.51 4.44 4.78 3ghgH1 PRO 229 HB2 0.02 -0.02 0.08 -0.04 2.28 2.31 3ghgH1 PRO 229 HB3 -0.01 0.05 0.10 -0.04 2.02 2.12 3ghgH1 PRO 229 HG2 0.14 -0.00 -0.01 -0.04 2.03 2.12 3ghgH1 PRO 229 HG3 -0.02 0.07 -0.02 -0.04 2.03 2.02 3ghgH1 PRO 229 HD2 0.04 0.11 0.09 -0.04 3.68 3.88 3ghgH1 PRO 229 HD3 -0.27 0.22 -0.02 -0.04 3.65 3.54 3ghgH1 ASP 230 H -0.02 0.26 -0.37 -0.55 8.40 7.73 3ghgH1 ASP 230 HA -0.01 0.02 0.46 -0.75 4.63 4.35 3ghgH1 ASP 230 HB2 0.01 0.20 0.09 -0.04 2.71 2.96 3ghgH1 ASP 230 HB3 0.03 0.02 -0.26 -0.04 2.70 2.45 3ghgH1 SER 231 H -0.01 0.17 0.09 -0.55 8.46 8.17 3ghgH1 SER 231 HA -0.01 0.18 0.36 -0.75 4.49 4.27 3ghgH1 SER 231 HB2 -0.01 0.03 0.12 -0.04 3.95 4.05 3ghgH1 SER 231 HB3 -0.01 0.01 0.10 -0.04 3.93 3.99 3ghgH1 SER 232 H 0.01 0.03 -0.41 -0.55 8.46 7.54 3ghgH1 SER 232 HA 0.01 0.19 0.81 -0.75 4.49 4.75 3ghgH1 SER 232 HB2 0.01 -0.06 0.04 -0.04 3.95 3.91 3ghgH1 SER 232 HB3 0.02 0.01 0.15 -0.04 3.93 4.07 3ghgH1 VAL 233 H 0.02 0.57 -0.30 -0.55 8.24 7.98 3ghgH1 VAL 233 HA 0.04 -0.00 0.27 -0.75 4.13 3.69 3ghgH1 VAL 233 HB 0.06 -0.02 0.08 -0.04 2.12 2.20 3ghgH1 VAL 233 HG13 0.07 -0.04 -0.01 -0.04 0.97 0.95 3ghgH1 VAL 233 HG23 0.15 0.11 -0.04 -0.04 0.95 1.13 3ghgH1 LYS 234 H 0.05 0.03 0.06 -0.55 8.42 8.02 3ghgH1 LYS 234 HA 0.02 0.04 0.45 -0.75 4.32 4.08 3ghgH1 LYS 234 HB2 0.03 0.10 0.12 -0.04 1.87 2.08 3ghgH1 LYS 234 HB3 0.03 -0.08 0.12 -0.04 1.79 1.82 3ghgH1 LYS 234 HG2 0.05 -0.09 0.10 -0.04 1.46 1.48 3ghgH1 LYS 234 HG3 0.10 0.05 0.02 -0.04 1.46 1.58 3ghgH1 LYS 234 HD2 0.04 0.04 0.03 -0.04 1.69 1.76 3ghgH1 LYS 234 HD3 0.03 -0.07 0.03 -0.04 1.68 1.63 3ghgH1 LYS 234 HE2 0.04 -0.06 0.03 -0.04 2.99 2.95 3ghgH1 LYS 234 HE3 0.05 -0.06 0.02 -0.04 2.99 2.96 3ghgH1 PRO 235 HA -0.28 0.36 0.69 -0.51 4.44 4.70 3ghgH1 PRO 235 HB2 -0.06 -0.05 -0.13 -0.04 2.28 2.00 3ghgH1 PRO 235 HB3 -0.14 0.00 -0.21 -0.04 2.02 1.63 3ghgH1 PRO 235 HG2 -0.04 -0.00 -0.00 -0.04 2.03 1.95 3ghgH1 PRO 235 HG3 -0.06 0.05 -0.02 -0.04 2.03 1.95 3ghgH1 PRO 235 HD2 -0.01 0.03 0.19 -0.04 3.68 3.85 3ghgH1 PRO 235 HD3 -0.02 0.13 0.19 -0.04 3.65 3.92 3ghgH1 TYR 236 H -0.40 0.42 0.34 -0.55 8.29 8.10 3ghgH1 TYR 236 HA -0.02 0.01 0.56 -0.75 4.56 4.37 3ghgH1 TYR 236 HB2 -0.03 -0.05 0.09 -0.04 3.06 3.03 3ghgH1 TYR 236 HB3 -0.02 0.15 -0.13 -0.04 2.98 2.94 3ghgH1 TYR 236 HD2 -0.02 0.22 -0.34 -0.04 7.15 6.96 3ghgH1 TYR 236 HE2 -0.02 -0.04 -0.06 -0.04 6.85 6.70 3ghgH1 ARG 237 H 0.12 0.08 0.16 -0.55 8.46 8.27 3ghgH1 ARG 237 HA 0.04 0.19 0.47 -0.75 4.34 4.29 3ghgH1 ARG 237 HB2 -0.01 -0.05 -0.02 -0.04 1.90 1.78 3ghgH1 ARG 237 HB3 0.01 0.03 0.03 -0.04 1.80 1.83 3ghgH1 ARG 237 HG2 0.01 0.07 -0.07 -0.04 1.67 1.63 3ghgH1 ARG 237 HG3 0.03 -0.07 0.04 -0.04 1.67 1.63 3ghgH1 ARG 237 HD2 -0.00 -0.02 -0.01 -0.04 3.22 3.14 3ghgH1 ARG 237 HD3 -0.00 -0.02 -0.07 -0.04 3.22 3.09 3ghgH1 VAL 238 H 0.05 0.43 0.19 -0.55 8.24 8.35 3ghgH1 VAL 238 HA 0.01 0.05 0.68 -0.75 4.13 4.12 3ghgH1 VAL 238 HB 0.14 0.03 -0.45 -0.04 2.12 1.80 3ghgH1 VAL 238 HG13 0.10 0.02 -0.35 -0.04 0.97 0.71 3ghgH1 VAL 238 HG23 0.19 0.03 0.02 -0.04 0.95 1.15 3ghgH1 TYR 239 H 0.31 0.15 0.16 -0.55 8.29 8.36 3ghgH1 TYR 239 HA 0.14 0.12 0.67 -0.75 4.56 4.74 3ghgH1 TYR 239 HB2 0.22 0.16 0.09 -0.04 3.06 3.48 3ghgH1 TYR 239 HB3 0.23 -0.11 0.03 -0.04 2.98 3.09 3ghgH1 TYR 239 HD2 0.11 -0.04 -0.26 -0.04 7.15 6.93 3ghgH1 TYR 239 HE2 0.08 -0.06 -0.36 -0.04 6.85 6.47 3ghgH1 CYS 240 H -0.33 0.47 0.23 -0.55 8.50 8.32 3ghgH1 CYS 240 HA 0.13 0.30 0.72 -0.75 4.58 4.97 3ghgH1 CYS 240 HB2 -0.09 -0.02 0.09 -0.04 2.97 2.91 3ghgH1 CYS 240 HB3 -0.04 0.09 -0.03 -0.04 2.97 2.96 3ghgH1 ASP 241 H 0.29 0.17 -0.07 -0.55 8.40 8.25 3ghgH1 ASP 241 HA 0.22 0.06 0.78 -0.75 4.63 4.94 3ghgH1 ASP 241 HB2 0.22 0.07 0.07 -0.04 2.71 3.03 3ghgH1 ASP 241 HB3 0.27 0.05 0.08 -0.04 2.70 3.06 3ghgH1 MET 242 H 0.10 0.21 0.11 -0.55 8.47 8.34 3ghgH1 MET 242 HA 0.07 -0.03 0.90 -0.75 4.52 4.71 3ghgH1 MET 242 HB2 0.06 0.08 -0.17 -0.04 2.15 2.08 3ghgH1 MET 242 HB3 0.01 0.06 0.15 -0.04 2.03 2.20 3ghgH1 MET 242 HG2 -0.01 0.06 -0.26 -0.04 2.63 2.37 3ghgH1 MET 242 HG3 -0.08 0.15 -0.23 -0.04 2.56 2.37 3ghgH1 MET 242 HE3 -0.39 0.05 0.04 -0.04 2.10 1.77 3ghgH1 ASN 243 H 0.13 -0.07 -0.18 -0.55 8.53 7.87 3ghgH1 ASN 243 HA 0.07 0.30 0.79 -0.75 4.76 5.16 3ghgH1 ASN 243 HB2 0.08 -0.08 0.15 -0.04 2.88 2.99 3ghgH1 ASN 243 HB3 0.05 0.03 -0.03 -0.04 2.79 2.80 3ghgH1 ASN 243 HD21 0.05 0.02 -0.00 -0.04 7.03 7.06 3ghgH1 ASN 243 HD22 0.05 -0.00 -0.01 -0.04 7.74 7.73 3ghgH1 THR 244 H 0.08 0.03 0.05 -0.55 8.28 7.88 3ghgH1 THR 244 HA 0.03 0.07 0.33 -0.75 4.39 4.07 3ghgH1 THR 244 HB -0.08 0.03 -0.00 -0.04 4.32 4.22 3ghgH1 THR 244 HG23 -0.04 -0.00 0.02 -0.04 1.22 1.16 3ghgH1 GLU 245 H 0.06 0.12 0.15 -0.55 8.60 8.38 3ghgH1 GLU 245 HA 0.11 0.01 0.29 -0.75 4.29 3.95 3ghgH1 GLU 245 HB2 0.47 0.15 -0.24 -0.04 2.09 2.43 3ghgH1 GLU 245 HB3 0.34 0.06 0.10 -0.04 1.99 2.46 3ghgH1 GLU 245 HG2 0.02 -0.13 -0.13 -0.04 2.34 2.06 3ghgH1 GLU 245 HG3 0.05 -0.00 -0.15 -0.04 2.34 2.19 3ghgH1 ASN 246 H 0.12 0.17 -0.42 -0.55 8.53 7.85 3ghgH1 ASN 246 HA 0.05 0.02 0.17 -0.75 4.76 4.25 3ghgH1 ASN 246 HB2 0.02 0.24 0.13 -0.04 2.88 3.24 3ghgH1 ASN 246 HB3 -0.01 -0.03 0.11 -0.04 2.79 2.82 3ghgH1 ASN 246 HD21 0.00 -0.07 -0.11 -0.04 7.03 6.82 3ghgH1 ASN 246 HD22 -0.00 0.09 -0.11 -0.04 7.74 7.67 3ghgH1 GLY 247 H 0.24 0.10 -0.71 -0.55 8.43 7.52 3ghgH1 GLY 247 HA2 0.22 -0.08 -0.03 -0.51 4.01 3.61 3ghgH1 GLY 247 HA3 0.04 0.09 0.07 -0.51 4.01 3.70 3ghgH1 GLY 248 H -0.05 0.13 0.17 -0.55 8.43 8.13 3ghgH1 GLY 248 HA2 -0.15 0.21 0.04 -0.51 4.01 3.60 3ghgH1 GLY 248 HA3 -0.25 0.09 0.43 -0.51 4.01 3.77 3ghgH1 TRP 249 H 0.16 0.30 -0.30 -0.55 7.97 7.58 3ghgH1 TRP 249 HA 0.02 0.17 0.39 -0.75 4.62 4.45 3ghgH1 TRP 249 HB2 0.03 0.01 0.03 -0.04 3.23 3.26 3ghgH1 TRP 249 HB3 0.03 -0.08 -0.19 -0.04 3.23 2.96 3ghgH1 TRP 249 HD1 0.01 -0.10 -0.25 -0.04 7.22 6.84 3ghgH1 TRP 249 HE1 0.02 0.08 -0.22 -0.04 10.20 10.04 3ghgH1 TRP 249 HE3 0.02 -0.08 -0.50 -0.04 7.59 6.99 3ghgH1 TRP 249 HZ2 0.08 -0.01 -0.15 -0.04 7.44 7.32 3ghgH1 TRP 249 HZ3 0.03 0.05 -0.06 -0.04 7.13 7.11 3ghgH1 TRP 249 HH2 0.02 -0.03 -0.27 -0.04 7.19 6.87 3ghgH1 THR 250 H 0.31 0.45 0.23 -0.55 8.28 8.72 3ghgH1 THR 250 HA 0.16 0.23 0.95 -0.75 4.39 4.97 3ghgH1 THR 250 HB 0.14 0.01 0.23 -0.04 4.32 4.66 3ghgH1 THR 250 HG23 0.10 0.03 0.01 -0.04 1.22 1.32 3ghgH1 VAL 251 H 0.27 0.52 0.21 -0.55 8.24 8.69 3ghgH1 VAL 251 HA 0.14 0.06 0.58 -0.75 4.13 4.15 3ghgH1 VAL 251 HB 0.41 -0.04 0.11 -0.04 2.12 2.56 3ghgH1 VAL 251 HG13 -0.07 0.04 -0.14 -0.04 0.97 0.75 3ghgH1 VAL 251 HG23 0.24 -0.02 -0.12 -0.04 0.95 1.01 3ghgH1 ILE 252 H -0.04 0.55 0.53 -0.55 8.25 8.75 3ghgH1 ILE 252 HA -0.09 0.13 0.82 -0.75 4.18 4.29 3ghgH1 ILE 252 HB -0.01 0.02 -0.16 -0.04 1.89 1.70 3ghgH1 ILE 252 HG12 -0.04 0.02 -0.04 -0.04 1.49 1.39 3ghgH1 ILE 252 HG13 0.07 0.08 -0.21 -0.04 1.21 1.12 3ghgH1 ILE 252 HG23 -0.26 -0.00 -0.19 -0.04 0.93 0.43 3ghgH1 ILE 252 HD13 0.20 -0.03 -0.11 -0.04 0.88 0.90 3ghgH1 GLN 253 H -0.11 0.37 0.45 -0.55 8.47 8.63 3ghgH1 GLN 253 HA -0.10 0.49 1.01 -0.75 4.36 5.01 3ghgH1 GLN 253 HB2 0.58 0.06 -0.07 -0.04 2.15 2.68 3ghgH1 GLN 253 HB3 0.27 -0.14 0.06 -0.04 2.02 2.16 3ghgH1 GLN 253 HG2 0.35 0.08 0.02 -0.04 2.40 2.81 3ghgH1 GLN 253 HG3 0.64 -0.02 -0.09 -0.04 2.39 2.88 3ghgH1 GLN 253 HE21 -0.01 -0.10 -0.22 -0.04 6.97 6.60 3ghgH1 GLN 253 HE22 0.02 0.15 -0.24 -0.04 7.69 7.57 3ghgH1 ASN 254 H -0.02 0.45 0.33 -0.55 8.53 8.75 3ghgH1 ASN 254 HA -0.08 0.23 1.10 -0.75 4.76 5.26 3ghgH1 ASN 254 HB2 -0.18 -0.07 -0.17 -0.04 2.88 2.42 3ghgH1 ASN 254 HB3 -0.12 0.10 0.13 -0.04 2.79 2.87 3ghgH1 ASN 254 HD21 -0.10 -0.02 -0.20 -0.04 7.03 6.66 3ghgH1 ASN 254 HD22 -0.06 0.34 -0.38 -0.04 7.74 7.60 3ghgH1 ARG 255 H -0.08 0.87 0.47 -0.55 8.46 9.17 3ghgH1 ARG 255 HA -0.11 0.07 0.79 -0.75 4.34 4.33 3ghgH1 ARG 255 HB2 -0.05 -0.10 0.00 -0.04 1.90 1.72 3ghgH1 ARG 255 HB3 -0.14 0.03 0.11 -0.04 1.80 1.76 3ghgH1 ARG 255 HG2 -0.16 -0.02 -0.11 -0.04 1.67 1.34 3ghgH1 ARG 255 HG3 -0.21 0.10 -0.01 -0.04 1.67 1.51 3ghgH1 ARG 255 HD2 -0.46 0.14 -0.34 -0.04 3.22 2.52 3ghgH1 ARG 255 HD3 -0.97 0.06 -0.06 -0.04 3.22 2.21 3ghgH1 GLN 256 H -0.26 -0.08 0.27 -0.55 8.47 7.85 3ghgH1 GLN 256 HA -0.11 0.30 0.72 -0.75 4.36 4.51 3ghgH1 GLN 256 HB2 -0.10 -0.02 0.04 -0.04 2.15 2.03 3ghgH1 GLN 256 HB3 -0.10 0.09 0.03 -0.04 2.02 2.00 3ghgH1 GLN 256 HG2 -0.07 -0.09 -0.46 -0.04 2.40 1.73 3ghgH1 GLN 256 HG3 -0.08 -0.08 -0.17 -0.04 2.39 2.02 3ghgH1 GLN 256 HE21 -0.06 0.18 -0.07 -0.04 6.97 6.99 3ghgH1 GLN 256 HE22 -0.03 -0.19 -0.12 -0.04 7.69 7.31 3ghgH1 ASP 257 H -0.37 -0.02 0.27 -0.55 8.40 7.73 3ghgH1 ASP 257 HA -0.24 0.19 0.44 -0.75 4.63 4.27 3ghgH1 ASP 257 HB2 0.13 -0.12 0.24 -0.04 2.71 2.92 3ghgH1 ASP 257 HB3 0.04 0.20 0.09 -0.04 2.70 3.00 3ghgH1 GLY 258 H 0.17 0.18 0.17 -0.55 8.43 8.40 3ghgH1 GLY 258 HA2 -0.02 0.18 0.59 -0.51 4.01 4.26 3ghgH1 GLY 258 HA3 0.17 0.05 0.36 -0.51 4.01 4.09 3ghgH1 SER 259 H -0.01 -0.01 -0.33 -0.55 8.46 7.57 3ghgH1 SER 259 HA 0.05 0.05 -0.06 -0.75 4.49 3.77 3ghgH1 SER 259 HB2 0.05 0.04 0.05 -0.04 3.95 4.05 3ghgH1 SER 259 HB3 0.04 -0.00 0.08 -0.04 3.93 4.00 3ghgH1 VAL 260 H 0.13 0.21 -0.20 -0.55 8.24 7.83 3ghgH1 VAL 260 HA 0.08 0.16 1.04 -0.75 4.13 4.66 3ghgH1 VAL 260 HB 0.34 -0.00 -0.08 -0.04 2.12 2.34 3ghgH1 VAL 260 HG13 0.03 0.10 -0.01 -0.04 0.97 1.06 3ghgH1 VAL 260 HG23 0.13 0.02 -0.13 -0.04 0.95 0.93 3ghgH1 ASP 261 H 0.02 0.11 0.14 -0.55 8.40 8.12 3ghgH1 ASP 261 HA 0.11 0.09 0.60 -0.75 4.63 4.67 3ghgH1 ASP 261 HB2 -0.01 0.05 0.13 -0.04 2.71 2.84 3ghgH1 ASP 261 HB3 -0.12 -0.02 0.03 -0.04 2.70 2.55 3ghgH1 PHE 262 H 0.26 0.19 0.13 -0.55 8.34 8.36 3ghgH1 PHE 262 HA -0.02 0.13 0.63 -0.75 4.62 4.60 3ghgH1 PHE 262 HB2 0.12 0.07 0.08 -0.04 3.15 3.38 3ghgH1 PHE 262 HB3 0.20 0.07 0.32 -0.04 3.06 3.60 3ghgH1 PHE 262 HD2 0.18 0.03 -0.17 -0.04 7.28 7.29 3ghgH1 PHE 262 HE2 0.15 -0.05 -0.10 -0.04 7.38 7.34 3ghgH1 PHE 262 HZ 0.08 0.01 -0.05 -0.04 7.32 7.33 3ghgH1 GLY 263 H 0.01 0.06 -0.16 -0.55 8.43 7.80 3ghgH1 GLY 263 HA2 0.24 0.24 0.79 -0.51 4.01 4.76 3ghgH1 GLY 263 HA3 0.12 0.01 0.29 -0.51 4.01 3.92 3ghgH1 ARG 264 H 0.23 0.25 -0.22 -0.55 8.46 8.17 3ghgH1 ARG 264 HA 0.15 0.22 0.86 -0.75 4.34 4.81 3ghgH1 ARG 264 HB2 -0.40 0.07 -0.14 -0.04 1.90 1.38 3ghgH1 ARG 264 HB3 -0.15 -0.10 0.01 -0.04 1.80 1.53 3ghgH1 ARG 264 HG2 -0.23 0.05 -0.33 -0.04 1.67 1.12 3ghgH1 ARG 264 HG3 -0.69 -0.05 -0.36 -0.04 1.67 0.53 3ghgH1 ARG 264 HD2 -0.98 0.03 -0.15 -0.04 3.22 2.07 3ghgH1 ARG 264 HD3 -0.33 -0.01 -0.09 -0.04 3.22 2.76 3ghgH1 LYS 265 H 0.01 0.13 0.08 -0.55 8.42 8.09 3ghgH1 LYS 265 HA -0.12 -0.00 0.31 -0.75 4.32 3.75 3ghgH1 LYS 265 HB2 0.02 0.03 0.08 -0.04 1.87 1.97 3ghgH1 LYS 265 HB3 0.01 -0.14 0.18 -0.04 1.79 1.79 3ghgH1 LYS 265 HG2 -0.63 -0.00 -0.03 -0.04 1.46 0.75 3ghgH1 LYS 265 HG3 -0.14 0.05 0.06 -0.04 1.46 1.39 3ghgH1 LYS 265 HD2 -0.02 0.01 0.03 -0.04 1.69 1.67 3ghgH1 LYS 265 HD3 -0.10 -0.00 0.02 -0.04 1.68 1.56 3ghgH1 LYS 265 HE2 0.03 0.03 0.00 -0.04 2.99 3.01 3ghgH1 LYS 265 HE3 0.01 0.04 0.00 -0.04 2.99 3.00 3ghgH1 TRP 266 H 0.29 0.13 0.11 -0.55 7.97 7.95 3ghgH1 TRP 266 HA 0.17 0.13 0.43 -0.75 4.62 4.60 3ghgH1 TRP 266 HB2 0.05 -0.01 0.09 -0.04 3.23 3.32 3ghgH1 TRP 266 HB3 0.06 -0.02 0.12 -0.04 3.23 3.35 3ghgH1 TRP 266 HD1 0.10 -0.00 -0.10 -0.04 7.22 7.17 3ghgH1 TRP 266 HE1 0.16 0.02 -0.04 -0.04 10.20 10.29 3ghgH1 TRP 266 HE3 0.16 -0.13 -0.09 -0.04 7.59 7.49 3ghgH1 TRP 266 HZ2 0.20 -0.01 -0.03 -0.04 7.44 7.56 3ghgH1 TRP 266 HZ3 0.36 0.07 -0.43 -0.04 7.13 7.09 3ghgH1 TRP 266 HH2 0.42 0.07 -0.13 -0.04 7.19 7.51 3ghgH1 ASP 267 H 0.26 0.08 -0.05 -0.55 8.40 8.14 3ghgH1 ASP 267 HA 0.08 0.07 0.16 -0.75 4.63 4.18 3ghgH1 ASP 267 HB2 0.20 0.01 0.08 -0.04 2.71 2.95 3ghgH1 ASP 267 HB3 0.11 0.03 0.04 -0.04 2.70 2.84 3ghgH1 PRO 268 HA 0.08 0.19 0.71 -0.51 4.44 4.91 3ghgH1 PRO 268 HB2 -0.01 0.04 -0.16 -0.04 2.28 2.11 3ghgH1 PRO 268 HB3 -0.01 0.11 -0.04 -0.04 2.02 2.05 3ghgH1 PRO 268 HG2 0.01 -0.04 -0.02 -0.04 2.03 1.93 3ghgH1 PRO 268 HG3 0.03 0.13 -0.07 -0.04 2.03 2.07 3ghgH1 PRO 268 HD2 0.11 -0.07 -0.40 -0.04 3.68 3.29 3ghgH1 PRO 268 HD3 0.09 0.07 -0.05 -0.04 3.65 3.72 3ghgH1 TYR 269 H 0.25 0.45 -0.22 -0.55 8.29 8.22 3ghgH1 TYR 269 HA 0.33 0.12 0.56 -0.75 4.56 4.81 3ghgH1 TYR 269 HB2 0.05 0.14 0.14 -0.04 3.06 3.36 3ghgH1 TYR 269 HB3 -0.08 -0.05 -0.05 -0.04 2.98 2.76 3ghgH1 TYR 269 HD2 -0.39 0.14 -0.06 -0.04 7.15 6.79 3ghgH1 TYR 269 HE2 -0.43 -0.02 0.07 -0.04 6.85 6.43 3ghgH1 LYS 270 H -0.09 0.46 -0.20 -0.55 8.42 8.04 3ghgH1 LYS 270 HA -0.34 -0.10 0.68 -0.75 4.32 3.80 3ghgH1 LYS 270 HB2 -0.51 0.00 0.03 -0.04 1.87 1.35 3ghgH1 LYS 270 HB3 -0.12 0.09 0.13 -0.04 1.79 1.85 3ghgH1 LYS 270 HG2 -0.01 0.09 -0.21 -0.04 1.46 1.29 3ghgH1 LYS 270 HG3 0.00 -0.16 0.03 -0.04 1.46 1.29 3ghgH1 LYS 270 HD2 0.17 -0.05 -0.02 -0.04 1.69 1.75 3ghgH1 LYS 270 HD3 0.06 -0.01 -0.05 -0.04 1.68 1.63 3ghgH1 LYS 270 HE2 0.16 0.00 -0.02 -0.04 2.99 3.09 3ghgH1 LYS 270 HE3 0.08 0.06 -0.03 -0.04 2.99 3.05 3ghgH1 GLN 271 H 0.01 0.43 -0.02 -0.55 8.47 8.34 3ghgH1 GLN 271 HA -0.04 0.01 0.59 -0.75 4.36 4.17 3ghgH1 GLN 271 HB2 0.03 0.06 0.12 -0.04 2.15 2.32 3ghgH1 GLN 271 HB3 0.00 0.00 0.14 -0.04 2.02 2.13 3ghgH1 GLN 271 HG2 0.03 0.25 0.18 -0.04 2.40 2.81 3ghgH1 GLN 271 HG3 0.03 -0.05 0.05 -0.04 2.39 2.38 3ghgH1 GLN 271 HE21 0.02 -0.02 0.02 -0.04 6.97 6.95 3ghgH1 GLN 271 HE22 0.02 0.01 0.04 -0.04 7.69 7.72 3ghgH1 GLY 272 H 0.07 0.09 -0.54 -0.55 8.43 7.50 3ghgH1 GLY 272 HA2 0.02 0.19 0.05 -0.51 4.01 3.76 3ghgH1 GLY 272 HA3 -0.09 -0.08 0.28 -0.51 4.01 3.62 3ghgH1 PHE 273 H -0.29 0.67 0.31 -0.55 8.34 8.49 3ghgH1 PHE 273 HA -0.03 0.15 0.83 -0.75 4.62 4.81 3ghgH1 PHE 273 HB2 -0.11 -0.06 0.05 -0.04 3.15 2.99 3ghgH1 PHE 273 HB3 -0.09 0.06 -0.29 -0.04 3.06 2.70 3ghgH1 PHE 273 HD2 -0.30 0.08 -0.41 -0.04 7.28 6.61 3ghgH1 PHE 273 HE2 -1.91 0.02 -0.06 -0.04 7.38 5.39 3ghgH1 PHE 273 HZ -0.81 0.02 0.03 -0.04 7.32 6.52 3ghgH1 GLY 274 H 0.16 0.17 0.19 -0.55 8.43 8.40 3ghgH1 GLY 274 HA2 0.15 0.01 0.29 -0.51 4.01 3.95 3ghgH1 GLY 274 HA3 0.15 0.21 0.96 -0.51 4.01 4.82 3ghgH1 ASN 275 H 0.14 0.71 0.21 -0.55 8.53 9.04 3ghgH1 ASN 275 HA 0.02 0.13 0.86 -0.75 4.76 5.01 3ghgH1 ASN 275 HB2 0.07 -0.04 0.14 -0.04 2.88 3.01 3ghgH1 ASN 275 HB3 0.04 0.00 -0.04 -0.04 2.79 2.75 3ghgH1 ASN 275 HD21 0.05 0.05 -0.06 -0.04 7.03 7.03 3ghgH1 ASN 275 HD22 0.07 -0.01 -0.04 -0.04 7.74 7.72 3ghgH1 VAL 276 H -0.07 0.18 -0.01 -0.55 8.24 7.78 3ghgH1 VAL 276 HA -0.36 0.15 0.17 -0.75 4.13 3.33 3ghgH1 VAL 276 HB -0.15 -0.01 -0.10 -0.04 2.12 1.83 3ghgH1 VAL 276 HG13 -0.38 0.01 -0.23 -0.04 0.97 0.32 3ghgH1 VAL 276 HG23 -0.46 0.04 -0.21 -0.04 0.95 0.28 3ghgH1 ALA 277 H 0.01 0.23 -0.09 -0.55 8.40 8.00 3ghgH1 ALA 277 HA 0.05 0.02 0.32 -0.75 4.34 3.98 3ghgH1 ALA 277 HB3 0.16 0.05 -0.00 -0.04 1.41 1.58 3ghgH1 THR 278 H 0.03 0.72 0.23 -0.55 8.28 8.72 3ghgH1 THR 278 HA 0.01 0.10 0.81 -0.75 4.39 4.55 3ghgH1 THR 278 HB 0.00 -0.02 0.07 -0.04 4.32 4.33 3ghgH1 THR 278 HG23 0.02 -0.01 -0.31 -0.04 1.22 0.87 3ghgH1 ASN 279 H -0.01 0.14 0.15 -0.55 8.53 8.26 3ghgH1 ASN 279 HA -0.07 0.04 0.26 -0.75 4.76 4.24 3ghgH1 ASN 279 HB2 -0.02 0.05 0.09 -0.04 2.88 2.96 3ghgH1 ASN 279 HB3 -0.04 -0.03 0.04 -0.04 2.79 2.72 3ghgH1 ASN 279 HD21 -0.01 -0.03 0.17 -0.04 7.03 7.12 3ghgH1 ASN 279 HD22 -0.04 0.08 -0.04 -0.04 7.74 7.70 3ghgH1 THR 280 H -0.14 0.12 0.18 -0.55 8.28 7.88 3ghgH1 THR 280 HA -0.06 0.17 0.41 -0.75 4.39 4.16 3ghgH1 THR 280 HB -0.19 -0.17 0.28 -0.04 4.32 4.19 3ghgH1 THR 280 HG23 -0.07 0.04 -0.04 -0.04 1.22 1.12 3ghgH1 ASP 281 H -0.07 0.03 0.05 -0.55 8.40 7.86 3ghgH1 ASP 281 HA -0.02 0.24 0.61 -0.75 4.63 4.70 3ghgH1 ASP 281 HB2 -0.01 0.05 0.16 -0.04 2.71 2.87 3ghgH1 ASP 281 HB3 -0.02 0.07 0.02 -0.04 2.70 2.74 3ghgH1 GLY 282 H -0.04 0.16 -0.22 -0.55 8.43 7.79 3ghgH1 GLY 282 HA2 -0.02 0.07 0.27 -0.51 4.01 3.82 3ghgH1 GLY 282 HA3 -0.02 0.13 0.56 -0.51 4.01 4.18 3ghgH1 LYS 283 H -0.08 -0.24 -0.08 -0.55 8.42 7.47 3ghgH1 LYS 283 HA -0.02 0.22 0.70 -0.75 4.32 4.47 3ghgH1 LYS 283 HB2 -0.28 -0.05 0.14 -0.04 1.87 1.64 3ghgH1 LYS 283 HB3 -0.12 -0.03 0.18 -0.04 1.79 1.77 3ghgH1 LYS 283 HG2 -0.06 -0.06 -0.08 -0.04 1.46 1.22 3ghgH1 LYS 283 HG3 -0.12 0.03 0.07 -0.04 1.46 1.39 3ghgH1 LYS 283 HD2 0.08 0.01 0.06 -0.04 1.69 1.80 3ghgH1 LYS 283 HD3 0.02 0.06 0.05 -0.04 1.68 1.77 3ghgH1 LYS 283 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 3ghgH1 LYS 283 HE3 0.04 0.02 0.01 -0.04 2.99 3.02 3ghgH1 ASN 284 H 0.06 0.13 0.14 -0.55 8.53 8.31 3ghgH1 ASN 284 HA 0.01 0.17 0.48 -0.75 4.76 4.67 3ghgH1 ASN 284 HB2 0.05 0.02 0.05 -0.04 2.88 2.96 3ghgH1 ASN 284 HB3 0.04 0.03 0.06 -0.04 2.79 2.88 3ghgH1 ASN 284 HD21 0.09 0.02 0.04 -0.04 7.03 7.13 3ghgH1 ASN 284 HD22 0.05 0.03 0.05 -0.04 7.74 7.83 3ghgH1 TYR 285 H 0.03 0.02 -0.06 -0.55 8.29 7.73 3ghgH1 TYR 285 HA -0.03 0.15 0.91 -0.75 4.56 4.83 3ghgH1 TYR 285 HB2 -0.08 0.17 -0.04 -0.04 3.06 3.07 3ghgH1 TYR 285 HB3 -0.05 0.01 -0.05 -0.04 2.98 2.85 3ghgH1 TYR 285 HD2 -0.05 0.01 -0.16 -0.04 7.15 6.91 3ghgH1 TYR 285 HE2 -0.01 0.06 -0.03 -0.04 6.85 6.82 3ghgH1 CYS 286 H 0.03 0.18 0.06 -0.55 8.50 8.22 3ghgH1 CYS 286 HA -0.10 -0.01 0.36 -0.75 4.58 4.07 3ghgH1 CYS 286 HB2 0.04 0.01 0.04 -0.04 2.97 3.01 3ghgH1 CYS 286 HB3 0.03 0.04 -0.20 -0.04 2.97 2.80 3ghgH1 GLY 287 H -0.22 0.09 0.32 -0.55 8.43 8.08 3ghgH1 GLY 287 HA2 0.14 0.14 0.69 -0.51 4.01 4.47 3ghgH1 GLY 287 HA3 -0.06 -0.03 0.37 -0.51 4.01 3.78 3ghgH1 LEU 288 H 0.03 0.30 -0.07 -0.55 8.37 8.08 3ghgH1 LEU 288 HA 0.03 0.23 0.77 -0.75 4.35 4.63 3ghgH1 LEU 288 HB2 -0.00 -0.01 -0.06 -0.04 1.64 1.52 3ghgH1 LEU 288 HB3 -0.02 0.06 -0.14 -0.04 1.64 1.51 3ghgH1 LEU 288 HG -0.02 -0.14 -0.13 -0.04 1.64 1.31 3ghgH1 LEU 288 HD13 -0.01 0.04 -0.03 -0.04 0.93 0.89 3ghgH1 LEU 288 HD23 0.01 0.03 -0.10 -0.04 0.89 0.78 3ghgH1 PRO 289 HA -0.19 0.15 0.55 -0.51 4.44 4.44 3ghgH1 PRO 289 HB2 -0.42 0.11 -0.08 -0.04 2.28 1.85 3ghgH1 PRO 289 HB3 -2.12 -0.03 -0.02 -0.04 2.02 -0.20 3ghgH1 PRO 289 HG2 -0.28 0.03 0.07 -0.04 2.03 1.80 3ghgH1 PRO 289 HG3 -0.59 -0.02 0.01 -0.04 2.03 1.39 3ghgH1 PRO 289 HD2 -0.13 0.06 0.16 -0.04 3.68 3.73 3ghgH1 PRO 289 HD3 -0.16 0.26 0.19 -0.04 3.65 3.90 3ghgH1 GLY 290 H 0.04 0.11 -0.35 -0.55 8.43 7.69 3ghgH1 GLY 290 HA2 0.02 -0.00 0.31 -0.51 4.01 3.84 3ghgH1 GLY 290 HA3 0.08 0.11 0.18 -0.51 4.01 3.86 3ghgH1 GLU 291 H 0.10 -0.01 0.10 -0.55 8.60 8.24 3ghgH1 GLU 291 HA 0.13 0.29 0.63 -0.75 4.29 4.58 3ghgH1 GLU 291 HB2 0.28 -0.08 0.07 -0.04 2.09 2.32 3ghgH1 GLU 291 HB3 0.37 0.18 0.19 -0.04 1.99 2.69 3ghgH1 GLU 291 HG2 0.03 0.00 -0.01 -0.04 2.34 2.32 3ghgH1 GLU 291 HG3 0.08 -0.07 0.02 -0.04 2.34 2.32 3ghgH1 TYR 292 H 0.12 0.29 0.34 -0.55 8.29 8.48 3ghgH1 TYR 292 HA -0.04 0.06 0.37 -0.75 4.56 4.20 3ghgH1 TYR 292 HB2 -0.06 0.12 -0.12 -0.04 3.06 2.96 3ghgH1 TYR 292 HB3 0.02 0.07 -0.52 -0.04 2.98 2.51 3ghgH1 TYR 292 HD2 -0.05 0.11 -0.52 -0.04 7.15 6.65 3ghgH1 TYR 292 HE2 -0.02 0.01 -0.10 -0.04 6.85 6.70 3ghgH1 TRP 293 H -0.27 0.90 0.31 -0.55 7.97 8.37 3ghgH1 TRP 293 HA -0.20 0.25 0.99 -0.75 4.62 4.91 3ghgH1 TRP 293 HB2 -0.67 -0.04 0.07 -0.04 3.23 2.55 3ghgH1 TRP 293 HB3 -1.81 -0.12 0.24 -0.04 3.23 1.50 3ghgH1 TRP 293 HD1 -0.33 -0.12 0.05 -0.04 7.22 6.78 3ghgH1 TRP 293 HE1 -0.16 -0.04 0.03 -0.04 10.20 9.99 3ghgH1 TRP 293 HE3 0.18 -0.00 0.11 -0.04 7.59 7.84 3ghgH1 TRP 293 HZ2 -0.17 -0.05 -0.06 -0.04 7.44 7.11 3ghgH1 TRP 293 HZ3 0.40 -0.08 -0.08 -0.04 7.13 7.33 3ghgH1 TRP 293 HH2 0.55 -0.06 -0.06 -0.04 7.19 7.57 3ghgH1 LEU 294 H -0.34 0.52 0.19 -0.55 8.37 8.18 3ghgH1 LEU 294 HA -0.09 0.00 0.41 -0.75 4.35 3.92 3ghgH1 LEU 294 HB2 -0.01 0.07 0.23 -0.04 1.64 1.89 3ghgH1 LEU 294 HB3 -0.37 0.02 0.03 -0.04 1.64 1.28 3ghgH1 LEU 294 HG -0.22 -0.06 0.07 -0.04 1.64 1.39 3ghgH1 LEU 294 HD13 0.03 0.02 0.07 -0.04 0.93 1.01 3ghgH1 LEU 294 HD23 -0.00 0.02 -0.03 -0.04 0.89 0.83 3ghgH1 GLY 295 H -0.23 0.13 0.07 -0.55 8.43 7.85 3ghgH1 GLY 295 HA2 -0.13 0.01 -0.04 -0.51 4.01 3.34 3ghgH1 GLY 295 HA3 -0.19 0.01 0.12 -0.51 4.01 3.45 3ghgH1 ASN 296 H -0.17 0.34 0.34 -0.55 8.53 8.50 3ghgH1 ASN 296 HA -0.29 0.12 0.55 -0.75 4.76 4.38 3ghgH1 ASN 296 HB2 -0.75 -0.07 0.19 -0.04 2.88 2.21 3ghgH1 ASN 296 HB3 -1.69 -0.06 -0.03 -0.04 2.79 0.96 3ghgH1 ASN 296 HD21 -2.03 -0.02 -0.15 -0.04 7.03 4.79 3ghgH1 ASN 296 HD22 -1.24 -0.10 -0.23 -0.04 7.74 6.13 3ghgH1 ASP 297 H -0.19 0.20 0.08 -0.55 8.40 7.95 3ghgH1 ASP 297 HA 0.23 0.03 0.33 -0.75 4.63 4.47 3ghgH1 ASP 297 HB2 0.11 0.03 0.07 -0.04 2.71 2.88 3ghgH1 ASP 297 HB3 0.36 -0.09 0.12 -0.04 2.70 3.05 3ghgH1 LYS 298 H -0.13 0.10 -0.67 -0.55 8.42 7.17 3ghgH1 LYS 298 HA -0.07 0.07 0.62 -0.75 4.32 4.20 3ghgH1 LYS 298 HB2 -0.24 0.12 0.01 -0.04 1.87 1.71 3ghgH1 LYS 298 HB3 -0.21 0.02 -0.07 -0.04 1.79 1.49 3ghgH1 LYS 298 HG2 -0.44 0.04 0.02 -0.04 1.46 1.04 3ghgH1 LYS 298 HG3 -0.24 -0.06 -0.00 -0.04 1.46 1.12 3ghgH1 LYS 298 HD2 -0.39 -0.15 0.07 -0.04 1.69 1.18 3ghgH1 LYS 298 HD3 -1.07 0.05 0.01 -0.04 1.68 0.63 3ghgH1 LYS 298 HE2 -0.56 0.04 0.00 -0.04 2.99 2.43 3ghgH1 LYS 298 HE3 -0.26 -0.02 0.04 -0.04 2.99 2.71 3ghgH1 ILE 299 H -0.14 0.68 -0.05 -0.55 8.25 8.19 3ghgH1 ILE 299 HA -0.05 0.01 0.29 -0.75 4.18 3.68 3ghgH1 ILE 299 HB -0.04 0.06 0.10 -0.04 1.89 1.97 3ghgH1 ILE 299 HG12 -0.21 -0.08 -0.01 -0.04 1.49 1.14 3ghgH1 ILE 299 HG13 -0.32 0.47 0.11 -0.04 1.21 1.43 3ghgH1 ILE 299 HG23 0.06 -0.03 -0.05 -0.04 0.93 0.87 3ghgH1 ILE 299 HD13 -0.60 -0.03 -0.04 -0.04 0.88 0.17 3ghgH1 SER 300 H 0.01 0.35 -0.11 -0.55 8.46 8.16 3ghgH1 SER 300 HA -0.02 0.08 0.41 -0.75 4.49 4.22 3ghgH1 SER 300 HB2 0.09 0.23 -0.26 -0.04 3.95 3.96 3ghgH1 SER 300 HB3 0.25 -0.04 -0.08 -0.04 3.93 4.01 3ghgH1 GLN 301 H 0.02 0.43 -0.21 -0.55 8.47 8.16 3ghgH1 GLN 301 HA 0.00 -0.03 0.25 -0.75 4.36 3.82 3ghgH1 GLN 301 HB2 0.02 0.02 0.14 -0.04 2.15 2.29 3ghgH1 GLN 301 HB3 0.02 0.14 0.11 -0.04 2.02 2.25 3ghgH1 GLN 301 HG2 0.01 -0.05 -0.00 -0.04 2.40 2.32 3ghgH1 GLN 301 HG3 0.03 -0.04 -0.03 -0.04 2.39 2.30 3ghgH1 GLN 301 HE21 0.01 0.13 -0.11 -0.04 6.97 6.97 3ghgH1 GLN 301 HE22 0.01 -0.07 -0.07 -0.04 7.69 7.52 3ghgH1 LEU 302 H -0.01 0.47 -0.41 -0.55 8.37 7.87 3ghgH1 LEU 302 HA 0.00 -0.01 0.31 -0.75 4.35 3.90 3ghgH1 LEU 302 HB2 0.02 0.19 0.11 -0.04 1.64 1.92 3ghgH1 LEU 302 HB3 -0.01 0.05 0.15 -0.04 1.64 1.80 3ghgH1 LEU 302 HG 0.03 -0.04 0.01 -0.04 1.64 1.60 3ghgH1 LEU 302 HD13 0.07 -0.02 -0.05 -0.04 0.93 0.89 3ghgH1 LEU 302 HD23 0.02 -0.02 -0.22 -0.04 0.89 0.63 3ghgH1 THR 303 H -0.09 0.70 0.03 -0.55 8.28 8.37 3ghgH1 THR 303 HA -0.10 -0.02 0.41 -0.75 4.39 3.92 3ghgH1 THR 303 HB -0.35 0.05 0.31 -0.04 4.32 4.28 3ghgH1 THR 303 HG23 -0.56 -0.02 0.08 -0.04 1.22 0.68 3ghgH1 ARG 304 H -0.06 0.53 -0.39 -0.55 8.46 7.98 3ghgH1 ARG 304 HA -0.07 0.07 0.67 -0.75 4.34 4.26 3ghgH1 ARG 304 HB2 -0.03 0.12 -0.02 -0.04 1.90 1.93 3ghgH1 ARG 304 HB3 -0.03 -0.10 0.04 -0.04 1.80 1.66 3ghgH1 ARG 304 HG2 -0.05 -0.06 -0.08 -0.04 1.67 1.44 3ghgH1 ARG 304 HG3 -0.07 0.05 -0.12 -0.04 1.67 1.49 3ghgH1 ARG 304 HD2 -0.02 -0.06 -0.07 -0.04 3.22 3.03 3ghgH1 ARG 304 HD3 -0.02 -0.10 -0.14 -0.04 3.22 2.91 3ghgH1 MET 305 H -0.04 0.46 -0.20 -0.55 8.47 8.14 3ghgH1 MET 305 HA -0.03 -0.02 0.61 -0.75 4.52 4.32 3ghgH1 MET 305 HB2 -0.04 0.22 0.17 -0.04 2.15 2.45 3ghgH1 MET 305 HB3 -0.05 -0.14 -0.09 -0.04 2.03 1.71 3ghgH1 MET 305 HG2 -0.03 -0.07 0.11 -0.04 2.63 2.61 3ghgH1 MET 305 HG3 -0.02 0.10 0.12 -0.04 2.56 2.72 3ghgH1 MET 305 HE3 -0.06 -0.04 -0.03 -0.04 2.10 1.93 3ghgH1 GLY 306 H -0.05 0.41 -0.23 -0.55 8.43 8.01 3ghgH1 GLY 306 HA2 -0.05 0.06 0.43 -0.51 4.01 3.94 3ghgH1 GLY 306 HA3 -0.06 -0.04 0.22 -0.51 4.01 3.61 3ghgH1 PRO 307 HA -0.05 0.08 0.55 -0.51 4.44 4.51 3ghgH1 PRO 307 HB2 0.03 -0.08 0.21 -0.04 2.28 2.40 3ghgH1 PRO 307 HB3 -0.13 0.06 0.11 -0.04 2.02 2.02 3ghgH1 PRO 307 HG2 -0.02 0.00 0.12 -0.04 2.03 2.08 3ghgH1 PRO 307 HG3 -0.05 0.07 0.08 -0.04 2.03 2.09 3ghgH1 PRO 307 HD2 -0.04 -0.00 0.22 -0.04 3.68 3.81 3ghgH1 PRO 307 HD3 -0.05 0.16 0.24 -0.04 3.65 3.96 3ghgH1 THR 308 H 0.00 0.17 0.30 -0.55 8.28 8.21 3ghgH1 THR 308 HA 0.10 0.12 0.87 -0.75 4.39 4.72 3ghgH1 THR 308 HB -0.03 0.13 0.28 -0.04 4.32 4.66 3ghgH1 THR 308 HG23 0.18 -0.04 -0.31 -0.04 1.22 1.01 3ghgH1 GLU 309 H 0.22 0.56 0.31 -0.55 8.60 9.15 3ghgH1 GLU 309 HA 0.33 0.21 0.68 -0.75 4.29 4.75 3ghgH1 GLU 309 HB2 0.41 -0.06 0.05 -0.04 2.09 2.45 3ghgH1 GLU 309 HB3 0.49 0.03 0.11 -0.04 1.99 2.58 3ghgH1 GLU 309 HG2 0.12 0.11 0.07 -0.04 2.34 2.60 3ghgH1 GLU 309 HG3 0.55 -0.09 -0.35 -0.04 2.34 2.41 3ghgH1 LEU 310 H 0.32 0.66 0.35 -0.55 8.37 9.15 3ghgH1 LEU 310 HA 0.30 0.19 1.01 -0.75 4.35 5.10 3ghgH1 LEU 310 HB2 -0.10 0.05 -0.04 -0.04 1.64 1.50 3ghgH1 LEU 310 HB3 0.05 0.03 0.13 -0.04 1.64 1.81 3ghgH1 LEU 310 HG -0.04 -0.04 -0.31 -0.04 1.64 1.21 3ghgH1 LEU 310 HD13 -0.11 -0.06 0.00 -0.04 0.93 0.72 3ghgH1 LEU 310 HD23 -0.98 -0.01 -0.07 -0.04 0.89 -0.21 3ghgH1 LEU 311 H -0.06 0.76 0.40 -0.55 8.37 8.92 3ghgH1 LEU 311 HA -0.32 0.24 0.97 -0.75 4.35 4.48 3ghgH1 LEU 311 HB2 -0.86 0.04 -0.14 -0.04 1.64 0.64 3ghgH1 LEU 311 HB3 -1.15 0.05 0.04 -0.04 1.64 0.54 3ghgH1 LEU 311 HG -0.58 -0.07 -0.50 -0.04 1.64 0.45 3ghgH1 LEU 311 HD13 -0.73 -0.02 -0.16 -0.04 0.93 -0.02 3ghgH1 LEU 311 HD23 -0.86 0.00 -0.18 -0.04 0.89 -0.18 3ghgH1 ILE 312 H -0.22 0.36 0.22 -0.55 8.25 8.06 3ghgH1 ILE 312 HA -0.20 0.33 1.08 -0.75 4.18 4.64 3ghgH1 ILE 312 HB -0.27 -0.13 0.23 -0.04 1.89 1.69 3ghgH1 ILE 312 HG12 -0.02 0.04 -0.01 -0.04 1.49 1.45 3ghgH1 ILE 312 HG13 -0.02 -0.04 -0.16 -0.04 1.21 0.94 3ghgH1 ILE 312 HG23 -0.16 0.09 0.06 -0.04 0.93 0.88 3ghgH1 ILE 312 HD13 0.20 -0.02 -0.03 -0.04 0.88 1.00 3ghgH1 GLU 313 H -0.26 0.21 0.14 -0.55 8.60 8.14 3ghgH1 GLU 313 HA -0.33 0.17 0.97 -0.75 4.29 4.35 3ghgH1 GLU 313 HB2 -0.21 -0.00 -0.04 -0.04 2.09 1.80 3ghgH1 GLU 313 HB3 -0.23 -0.01 0.03 -0.04 1.99 1.75 3ghgH1 GLU 313 HG2 -0.30 -0.02 -0.12 -0.04 2.34 1.87 3ghgH1 GLU 313 HG3 -0.33 0.01 -0.12 -0.04 2.34 1.86 3ghgH1 MET 314 H -0.34 0.36 0.33 -0.55 8.47 8.27 3ghgH1 MET 314 HA -0.17 0.17 0.41 -0.75 4.52 4.18 3ghgH1 MET 314 HB2 -0.08 0.07 0.13 -0.04 2.15 2.23 3ghgH1 MET 314 HB3 -0.25 0.06 0.04 -0.04 2.03 1.84 3ghgH1 MET 314 HG2 -0.62 0.10 -0.02 -0.04 2.63 2.05 3ghgH1 MET 314 HG3 -0.66 -0.05 -0.06 -0.04 2.56 1.75 3ghgH1 MET 314 HE3 -0.50 0.01 -0.13 -0.04 2.10 1.44 3ghgH1 GLU 315 H -0.07 0.42 0.33 -0.55 8.60 8.72 3ghgH1 GLU 315 HA 0.05 0.53 1.13 -0.75 4.29 5.24 3ghgH1 GLU 315 HB2 -0.07 -0.01 -0.14 -0.04 2.09 1.83 3ghgH1 GLU 315 HB3 -0.10 -0.05 0.05 -0.04 1.99 1.85 3ghgH1 GLU 315 HG2 -0.10 -0.01 -0.32 -0.04 2.34 1.87 3ghgH1 GLU 315 HG3 -0.00 -0.09 -0.03 -0.04 2.34 2.18 3ghgH1 ASP 316 H 0.31 0.39 0.36 -0.55 8.40 8.91 3ghgH1 ASP 316 HA 0.19 0.12 0.78 -0.75 4.63 4.97 3ghgH1 ASP 316 HB2 -0.08 0.02 0.10 -0.04 2.71 2.71 3ghgH1 ASP 316 HB3 -0.30 0.14 0.08 -0.04 2.70 2.58 3ghgH1 TRP 317 H 0.66 0.24 0.13 -0.55 7.97 8.46 3ghgH1 TRP 317 HA -0.03 0.10 0.20 -0.75 4.62 4.13 3ghgH1 TRP 317 HB2 0.03 0.09 0.03 -0.04 3.23 3.33 3ghgH1 TRP 317 HB3 -0.09 0.04 0.09 -0.04 3.23 3.22 3ghgH1 TRP 317 HD1 0.10 -0.08 -0.05 -0.04 7.22 7.15 3ghgH1 TRP 317 HE1 -0.31 0.78 0.00 -0.04 10.20 10.63 3ghgH1 TRP 317 HE3 -0.37 0.06 0.07 -0.04 7.59 7.31 3ghgH1 TRP 317 HZ2 -1.05 0.25 -0.12 -0.04 7.44 6.48 3ghgH1 TRP 317 HZ3 -1.75 0.05 0.05 -0.04 7.13 5.44 3ghgH1 TRP 317 HH2 -1.59 0.03 -0.02 -0.04 7.19 5.57 3ghgH1 LYS 318 H 0.19 -0.08 -0.50 -0.55 8.42 7.48 3ghgH1 LYS 318 HA 0.11 0.20 0.77 -0.75 4.32 4.64 3ghgH1 LYS 318 HB2 0.10 -0.04 0.02 -0.04 1.87 1.91 3ghgH1 LYS 318 HB3 0.06 -0.02 -0.08 -0.04 1.79 1.70 3ghgH1 LYS 318 HG2 0.05 0.01 0.04 -0.04 1.46 1.52 3ghgH1 LYS 318 HG3 0.07 0.04 0.09 -0.04 1.46 1.62 3ghgH1 LYS 318 HD2 0.04 0.01 0.01 -0.04 1.69 1.71 3ghgH1 LYS 318 HD3 0.06 -0.00 -0.00 -0.04 1.68 1.69 3ghgH1 LYS 318 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 3ghgH1 LYS 318 HE3 0.02 0.01 -0.02 -0.04 2.99 2.95 3ghgH1 GLY 319 H 0.06 0.44 -0.03 -0.55 8.43 8.36 3ghgH1 GLY 319 HA2 0.00 0.04 0.24 -0.51 4.01 3.78 3ghgH1 GLY 319 HA3 0.02 0.15 0.50 -0.51 4.01 4.17 3ghgH1 ASP 320 H 0.13 -0.04 0.22 -0.55 8.40 8.16 3ghgH1 ASP 320 HA 0.07 0.24 0.97 -0.75 4.63 5.16 3ghgH1 ASP 320 HB2 0.25 -0.10 0.05 -0.04 2.71 2.86 3ghgH1 ASP 320 HB3 0.25 0.08 0.02 -0.04 2.70 3.02 3ghgH1 LYS 321 H 0.00 0.22 0.23 -0.55 8.42 8.31 3ghgH1 LYS 321 HA -0.18 0.36 0.96 -0.75 4.32 4.71 3ghgH1 LYS 321 HB2 -0.09 -0.00 0.06 -0.04 1.87 1.79 3ghgH1 LYS 321 HB3 -0.16 -0.02 -0.04 -0.04 1.79 1.52 3ghgH1 LYS 321 HG2 -0.08 0.00 -0.10 -0.04 1.46 1.23 3ghgH1 LYS 321 HG3 -0.09 0.02 -0.22 -0.04 1.46 1.12 3ghgH1 LYS 321 HD2 -0.02 -0.07 -0.57 -0.04 1.69 1.00 3ghgH1 LYS 321 HD3 -0.02 -0.01 -0.06 -0.04 1.68 1.54 3ghgH1 LYS 321 HE2 -0.05 -0.02 -0.11 -0.04 2.99 2.77 3ghgH1 LYS 321 HE3 -0.02 0.10 -0.11 -0.04 2.99 2.92 3ghgH1 VAL 322 H -0.47 0.52 0.38 -0.55 8.24 8.12 3ghgH1 VAL 322 HA -0.38 0.07 0.67 -0.75 4.13 3.73 3ghgH1 VAL 322 HB -0.75 -0.07 -0.17 -0.04 2.12 1.09 3ghgH1 VAL 322 HG13 -1.15 0.01 -0.28 -0.04 0.97 -0.50 3ghgH1 VAL 322 HG23 -1.49 0.04 -0.02 -0.04 0.95 -0.57 3ghgH1 LYS 323 H -0.27 0.09 0.23 -0.55 8.42 7.91 3ghgH1 LYS 323 HA -0.35 0.44 1.13 -0.75 4.32 4.79 3ghgH1 LYS 323 HB2 -0.20 0.01 -0.00 -0.04 1.87 1.64 3ghgH1 LYS 323 HB3 -0.23 0.04 -0.02 -0.04 1.79 1.54 3ghgH1 LYS 323 HG2 -0.14 0.04 -0.03 -0.04 1.46 1.30 3ghgH1 LYS 323 HG3 -0.14 -0.13 0.11 -0.04 1.46 1.26 3ghgH1 LYS 323 HD2 0.13 -0.05 -0.07 -0.04 1.69 1.65 3ghgH1 LYS 323 HD3 0.07 0.06 -0.07 -0.04 1.68 1.70 3ghgH1 LYS 323 HE2 -0.07 -0.02 -0.02 -0.04 2.99 2.84 3ghgH1 LYS 323 HE3 -0.05 0.04 -0.04 -0.04 2.99 2.89 3ghgH1 ALA 324 H -0.27 0.38 0.22 -0.55 8.40 8.19 3ghgH1 ALA 324 HA -0.00 0.06 0.82 -0.75 4.34 4.46 3ghgH1 ALA 324 HB3 0.10 0.00 0.14 -0.04 1.41 1.61 3ghgH1 HIS 325 H -0.15 0.33 0.24 -0.55 8.41 8.29 3ghgH1 HIS 325 HA -0.03 0.21 0.90 -0.75 4.63 4.96 3ghgH1 HIS 325 HB2 -0.24 -0.02 0.11 -0.04 3.26 3.07 3ghgH1 HIS 325 HB3 -0.09 0.05 0.02 -0.04 3.20 3.13 3ghgH1 HIS 325 HD2 0.14 0.07 -0.04 -0.04 6.97 7.09 3ghgH1 HIS 325 HE1 -0.05 -0.03 -0.08 -0.04 7.75 7.56 3ghgH1 TYR 326 H 0.22 0.66 0.35 -0.55 8.29 8.97 3ghgH1 TYR 326 HA 0.18 0.12 0.68 -0.75 4.56 4.78 3ghgH1 TYR 326 HB2 0.06 0.00 0.16 -0.04 3.06 3.24 3ghgH1 TYR 326 HB3 0.12 0.07 0.17 -0.04 2.98 3.30 3ghgH1 TYR 326 HD2 0.12 0.07 -0.21 -0.04 7.15 7.09 3ghgH1 TYR 326 HE2 0.24 -0.06 -0.09 -0.04 6.85 6.89 3ghgH1 GLY 327 H 0.19 0.53 0.37 -0.55 8.43 8.97 3ghgH1 GLY 327 HA2 0.35 0.00 0.32 -0.51 4.01 4.17 3ghgH1 GLY 327 HA3 0.19 -0.03 0.37 -0.51 4.01 4.03 3ghgH1 GLY 328 H 0.18 0.28 -0.16 -0.55 8.43 8.18 3ghgH1 GLY 328 HA2 0.05 0.20 0.64 -0.51 4.01 4.39 3ghgH1 GLY 328 HA3 0.02 -0.07 0.23 -0.51 4.01 3.67 3ghgH1 PHE 329 H 0.07 0.21 0.14 -0.55 8.34 8.22 3ghgH1 PHE 329 HA -0.07 0.22 0.84 -0.75 4.62 4.86 3ghgH1 PHE 329 HB2 0.02 -0.03 0.05 -0.04 3.15 3.14 3ghgH1 PHE 329 HB3 0.06 0.16 -0.05 -0.04 3.06 3.19 3ghgH1 PHE 329 HD2 -0.10 0.07 -0.09 -0.04 7.28 7.13 3ghgH1 PHE 329 HE2 -0.27 -0.02 -0.13 -0.04 7.38 6.91 3ghgH1 PHE 329 HZ -0.07 -0.01 -0.13 -0.04 7.32 7.08 3ghgH1 THR 330 H -0.16 0.45 0.26 -0.55 8.28 8.28 3ghgH1 THR 330 HA -0.49 0.22 1.04 -0.75 4.39 4.41 3ghgH1 THR 330 HB -0.16 0.16 -0.14 -0.04 4.32 4.14 3ghgH1 THR 330 HG23 -0.09 -0.01 -0.23 -0.04 1.22 0.85 3ghgH1 VAL 331 H -0.26 0.26 0.11 -0.55 8.24 7.80 3ghgH1 VAL 331 HA -0.06 0.41 0.59 -0.75 4.13 4.32 3ghgH1 VAL 331 HB -0.09 -0.02 -0.01 -0.04 2.12 1.96 3ghgH1 VAL 331 HG13 0.34 0.07 -0.28 -0.04 0.97 1.06 3ghgH1 VAL 331 HG23 -0.29 -0.01 -0.22 -0.04 0.95 0.38 3ghgH1 GLN 332 H 0.08 0.62 0.12 -0.55 8.47 8.74 3ghgH1 GLN 332 HA 0.01 0.08 0.23 -0.75 4.36 3.93 3ghgH1 GLN 332 HB2 0.07 -0.05 0.02 -0.04 2.15 2.15 3ghgH1 GLN 332 HB3 0.02 -0.19 0.14 -0.04 2.02 1.95 3ghgH1 GLN 332 HG2 0.00 0.18 0.00 -0.04 2.40 2.54 3ghgH1 GLN 332 HG3 0.01 -0.02 0.01 -0.04 2.39 2.35 3ghgH1 GLN 332 HE21 -0.05 -0.02 -0.26 -0.04 6.97 6.61 3ghgH1 GLN 332 HE22 -0.05 0.16 -0.23 -0.04 7.69 7.53 3ghgH1 ASN 333 H 0.00 0.10 0.12 -0.55 8.53 8.21 3ghgH1 ASN 333 HA -0.02 0.19 0.61 -0.75 4.76 4.78 3ghgH1 ASN 333 HB2 -0.03 -0.08 0.17 -0.04 2.88 2.90 3ghgH1 ASN 333 HB3 -0.00 0.16 0.12 -0.04 2.79 3.03 3ghgH1 ASN 333 HD21 0.00 0.06 0.03 -0.04 7.03 7.09 3ghgH1 ASN 333 HD22 0.00 0.11 0.07 -0.04 7.74 7.88 3ghgH1 GLU 334 H -0.19 0.21 0.14 -0.55 8.60 8.22 3ghgH1 GLU 334 HA -0.67 0.04 0.38 -0.75 4.29 3.28 3ghgH1 GLU 334 HB2 -0.09 0.02 0.11 -0.04 2.09 2.09 3ghgH1 GLU 334 HB3 0.00 0.02 0.08 -0.04 1.99 2.05 3ghgH1 GLU 334 HG2 0.17 0.06 -0.15 -0.04 2.34 2.37 3ghgH1 GLU 334 HG3 0.48 0.00 0.04 -0.04 2.34 2.82 3ghgH1 ALA 335 H -0.03 0.05 -0.20 -0.55 8.40 7.67 3ghgH1 ALA 335 HA 0.02 0.11 0.50 -0.75 4.34 4.21 3ghgH1 ALA 335 HB3 0.01 0.00 0.06 -0.04 1.41 1.44 3ghgH1 ASN 336 H 0.00 0.05 -0.32 -0.55 8.53 7.72 3ghgH1 ASN 336 HA 0.13 0.21 0.58 -0.75 4.76 4.92 3ghgH1 ASN 336 HB2 0.05 -0.07 0.05 -0.04 2.88 2.86 3ghgH1 ASN 336 HB3 0.11 0.07 0.14 -0.04 2.79 3.08 3ghgH1 ASN 336 HD21 0.02 0.03 -0.02 -0.04 7.03 7.02 3ghgH1 ASN 336 HD22 0.02 -0.05 0.02 -0.04 7.74 7.70 3ghgH1 LYS 337 H 0.03 0.13 -0.64 -0.55 8.42 7.38 3ghgH1 LYS 337 HA 0.32 -0.00 0.24 -0.75 4.32 4.13 3ghgH1 LYS 337 HB2 0.59 0.15 -0.26 -0.04 1.87 2.31 3ghgH1 LYS 337 HB3 0.37 -0.03 0.10 -0.04 1.79 2.19 3ghgH1 LYS 337 HG2 0.04 -0.01 -0.01 -0.04 1.46 1.44 3ghgH1 LYS 337 HG3 0.11 0.11 -0.18 -0.04 1.46 1.46 3ghgH1 LYS 337 HD2 -0.20 -0.00 -0.01 -0.04 1.69 1.43 3ghgH1 LYS 337 HD3 -0.12 -0.03 0.00 -0.04 1.68 1.49 3ghgH1 LYS 337 HE2 0.00 0.03 0.01 -0.04 2.99 2.99 3ghgH1 LYS 337 HE3 0.18 0.02 -0.11 -0.04 2.99 3.04 3ghgH1 TYR 338 H -0.27 0.20 -0.43 -0.55 8.29 7.24 3ghgH1 TYR 338 HA 0.19 0.33 0.04 -0.75 4.56 4.36 3ghgH1 TYR 338 HB2 0.16 0.01 -0.18 -0.04 3.06 3.00 3ghgH1 TYR 338 HB3 0.20 0.02 -0.05 -0.04 2.98 3.10 3ghgH1 TYR 338 HD2 0.01 0.16 -0.22 -0.04 7.15 7.05 3ghgH1 TYR 338 HE2 -0.38 -0.03 -0.06 -0.04 6.85 6.34 3ghgH1 GLN 339 H 0.21 0.13 -0.40 -0.55 8.47 7.86 3ghgH1 GLN 339 HA 0.12 0.28 0.67 -0.75 4.36 4.68 3ghgH1 GLN 339 HB2 -0.04 0.14 0.13 -0.04 2.15 2.34 3ghgH1 GLN 339 HB3 -0.00 -0.25 0.09 -0.04 2.02 1.82 3ghgH1 GLN 339 HG2 -0.13 0.01 -0.13 -0.04 2.40 2.11 3ghgH1 GLN 339 HG3 -0.33 0.28 -0.04 -0.04 2.39 2.25 3ghgH1 GLN 339 HE21 -0.06 -0.08 0.02 -0.04 6.97 6.81 3ghgH1 GLN 339 HE22 -0.09 -0.03 -0.00 -0.04 7.69 7.53 3ghgH1 ILE 340 H -0.03 0.66 0.27 -0.55 8.25 8.61 3ghgH1 ILE 340 HA -0.28 0.11 0.74 -0.75 4.18 3.99 3ghgH1 ILE 340 HB -2.18 0.02 0.01 -0.04 1.89 -0.31 3ghgH1 ILE 340 HG12 -0.41 -0.16 -0.22 -0.04 1.49 0.65 3ghgH1 ILE 340 HG13 -0.34 -0.04 0.03 -0.04 1.21 0.82 3ghgH1 ILE 340 HG23 -0.34 -0.01 0.03 -0.04 0.93 0.58 3ghgH1 ILE 340 HD13 -1.14 -0.02 -0.10 -0.04 0.88 -0.41 3ghgH1 SER 341 H -0.17 0.29 0.23 -0.55 8.46 8.26 3ghgH1 SER 341 HA -0.11 -0.09 0.13 -0.75 4.49 3.67 3ghgH1 SER 341 HB2 -0.07 0.08 0.24 -0.04 3.95 4.16 3ghgH1 SER 341 HB3 -0.08 0.09 0.10 -0.04 3.93 4.00 3ghgH1 VAL 342 H -0.05 0.18 0.17 -0.55 8.24 7.98 3ghgH1 VAL 342 HA 0.07 0.39 0.96 -0.75 4.13 4.80 3ghgH1 VAL 342 HB -0.17 0.03 0.12 -0.04 2.12 2.05 3ghgH1 VAL 342 HG13 -0.32 -0.00 -0.14 -0.04 0.97 0.46 3ghgH1 VAL 342 HG23 -0.12 -0.05 -0.18 -0.04 0.95 0.55 3ghgH1 ASN 343 H 0.21 0.59 0.27 -0.55 8.53 9.05 3ghgH1 ASN 343 HA 0.23 -0.00 -0.01 -0.75 4.76 4.22 3ghgH1 ASN 343 HB2 0.08 -0.18 0.24 -0.04 2.88 2.98 3ghgH1 ASN 343 HB3 0.07 0.23 0.44 -0.04 2.79 3.50 3ghgH1 ASN 343 HD21 0.00 0.01 -0.22 -0.04 7.03 6.78 3ghgH1 ASN 343 HD22 0.02 0.14 -0.18 -0.04 7.74 7.68 3ghgH1 LYS 344 H 0.12 0.17 0.14 -0.55 8.42 8.30 3ghgH1 LYS 344 HA 0.08 0.08 0.37 -0.75 4.32 4.10 3ghgH1 LYS 344 HB2 0.09 -0.01 -0.13 -0.04 1.87 1.78 3ghgH1 LYS 344 HB3 0.08 0.05 0.19 -0.04 1.79 2.07 3ghgH1 LYS 344 HG2 0.04 0.04 0.04 -0.04 1.46 1.54 3ghgH1 LYS 344 HG3 0.03 -0.03 -0.04 -0.04 1.46 1.38 3ghgH1 LYS 344 HD2 0.05 0.02 -0.01 -0.04 1.69 1.71 3ghgH1 LYS 344 HD3 0.00 0.02 -0.03 -0.04 1.68 1.64 3ghgH1 LYS 344 HE2 -0.08 -0.00 -0.12 -0.04 2.99 2.75 3ghgH1 LYS 344 HE3 -0.07 -0.07 -0.26 -0.04 2.99 2.56 3ghgH1 TYR 345 H 0.18 0.05 0.05 -0.55 8.29 8.02 3ghgH1 TYR 345 HA -0.35 0.43 0.67 -0.75 4.56 4.55 3ghgH1 TYR 345 HB2 -0.31 -0.05 0.02 -0.04 3.06 2.68 3ghgH1 TYR 345 HB3 -0.03 -0.07 0.12 -0.04 2.98 2.96 3ghgH1 TYR 345 HD2 -0.55 0.06 -0.10 -0.04 7.15 6.52 3ghgH1 TYR 345 HE2 0.00 0.00 -0.14 -0.04 6.85 6.67 3ghgH1 ARG 346 H -0.42 0.34 0.29 -0.55 8.46 8.12 3ghgH1 ARG 346 HA -0.50 0.15 0.45 -0.75 4.34 3.69 3ghgH1 ARG 346 HB2 -0.23 -0.03 0.17 -0.04 1.90 1.76 3ghgH1 ARG 346 HB3 -0.18 0.07 0.08 -0.04 1.80 1.73 3ghgH1 ARG 346 HG2 -0.18 0.02 0.04 -0.04 1.67 1.51 3ghgH1 ARG 346 HG3 -0.28 -0.07 -0.11 -0.04 1.67 1.17 3ghgH1 ARG 346 HD2 -0.19 -0.00 -0.00 -0.04 3.22 2.99 3ghgH1 ARG 346 HD3 -0.13 0.04 -0.03 -0.04 3.22 3.05 3ghgH1 GLY 347 H -0.34 0.27 0.19 -0.55 8.43 8.00 3ghgH1 GLY 347 HA2 -0.19 0.03 0.28 -0.51 4.01 3.62 3ghgH1 GLY 347 HA3 -0.33 0.12 1.02 -0.51 4.01 4.31 3ghgH1 THR 348 H -0.10 0.46 0.42 -0.55 8.28 8.51 3ghgH1 THR 348 HA 0.00 0.23 0.92 -0.75 4.39 4.78 3ghgH1 THR 348 HB -0.11 0.09 0.14 -0.04 4.32 4.40 3ghgH1 THR 348 HG23 -0.08 0.00 -0.13 -0.04 1.22 0.97 3ghgH1 ALA 349 H -0.12 0.40 0.30 -0.55 8.40 8.43 3ghgH1 ALA 349 HA -0.44 0.10 0.52 -0.75 4.34 3.78 3ghgH1 ALA 349 HB3 -0.75 0.00 -0.05 -0.04 1.41 0.57 3ghgH1 GLY 350 H 0.31 -0.03 -0.41 -0.55 8.43 7.75 3ghgH1 GLY 350 HA2 0.20 0.08 0.22 -0.51 4.01 4.00 3ghgH1 GLY 350 HA3 0.27 0.21 0.61 -0.51 4.01 4.59 3ghgH1 ASN 351 H -0.08 0.25 -0.03 -0.55 8.53 8.12 3ghgH1 ASN 351 HA -0.26 0.17 0.34 -0.75 4.76 4.26 3ghgH1 ASN 351 HB2 -1.17 0.08 -0.03 -0.04 2.88 1.72 3ghgH1 ASN 351 HB3 -0.25 0.08 0.15 -0.04 2.79 2.73 3ghgH1 ASN 351 HD21 0.07 0.00 0.01 -0.04 7.03 7.07 3ghgH1 ASN 351 HD22 -0.13 0.11 0.01 -0.04 7.74 7.69 3ghgH1 ALA 352 H -0.01 0.43 -0.15 -0.55 8.40 8.12 3ghgH1 ALA 352 HA -0.22 0.05 0.11 -0.75 4.34 3.53 3ghgH1 ALA 352 HB3 -1.18 -0.01 -0.09 -0.04 1.41 0.10 3ghgH1 LEU 353 H 0.07 0.09 -0.34 -0.55 8.37 7.64 3ghgH1 LEU 353 HA 0.24 0.14 0.49 -0.75 4.35 4.46 3ghgH1 LEU 353 HB2 -0.21 -0.00 -0.08 -0.04 1.64 1.31 3ghgH1 LEU 353 HB3 -0.15 0.06 -0.06 -0.04 1.64 1.45 3ghgH1 LEU 353 HG 0.14 -0.09 -0.03 -0.04 1.64 1.63 3ghgH1 LEU 353 HD13 -0.92 0.03 -0.07 -0.04 0.93 -0.08 3ghgH1 LEU 353 HD23 0.07 0.02 -0.06 -0.04 0.89 0.88 3ghgH1 MET 354 H 0.05 0.09 -0.09 -0.55 8.47 7.97 3ghgH1 MET 354 HA 0.01 0.17 0.84 -0.75 4.52 4.79 3ghgH1 MET 354 HB2 0.06 -0.01 0.09 -0.04 2.15 2.25 3ghgH1 MET 354 HB3 0.05 0.07 0.01 -0.04 2.03 2.13 3ghgH1 MET 354 HG2 0.08 0.03 -0.17 -0.04 2.63 2.54 3ghgH1 MET 354 HG3 0.37 -0.07 -0.07 -0.04 2.56 2.75 3ghgH1 MET 354 HE3 0.12 0.01 0.01 -0.04 2.10 2.20 3ghgH1 ASP 355 H -0.03 0.31 0.10 -0.55 8.40 8.23 3ghgH1 ASP 355 HA -0.02 0.17 0.50 -0.75 4.63 4.53 3ghgH1 ASP 355 HB2 -0.05 0.01 0.05 -0.04 2.71 2.67 3ghgH1 ASP 355 HB3 -0.03 0.06 -0.04 -0.04 2.70 2.65 3ghgH1 GLY 356 H -0.07 -0.02 -0.15 -0.55 8.43 7.63 3ghgH1 GLY 356 HA2 -0.12 0.12 0.14 -0.51 4.01 3.63 3ghgH1 GLY 356 HA3 -0.09 0.28 0.42 -0.51 4.01 4.11 3ghgH1 ALA 357 H -0.11 0.17 0.05 -0.55 8.40 7.97 3ghgH1 ALA 357 HA -0.09 -0.13 0.29 -0.75 4.34 3.67 3ghgH1 ALA 357 HB3 -0.08 0.02 0.09 -0.04 1.41 1.40 3ghgH1 SER 358 H -0.02 0.04 0.07 -0.55 8.46 8.00 3ghgH1 SER 358 HA -0.01 0.21 0.33 -0.75 4.49 4.27 3ghgH1 SER 358 HB2 0.03 0.04 0.06 -0.04 3.95 4.04 3ghgH1 SER 358 HB3 0.03 -0.04 0.09 -0.04 3.93 3.97 3ghgH1 GLN 359 H -0.00 -0.05 -0.17 -0.55 8.47 7.70 3ghgH1 GLN 359 HA 0.01 0.21 0.70 -0.75 4.36 4.52 3ghgH1 GLN 359 HB2 0.01 0.02 0.04 -0.04 2.15 2.18 3ghgH1 GLN 359 HB3 0.02 0.03 0.03 -0.04 2.02 2.06 3ghgH1 GLN 359 HG2 -0.01 -0.06 -0.09 -0.04 2.40 2.20 3ghgH1 GLN 359 HG3 0.01 0.00 -0.07 -0.04 2.39 2.29 3ghgH1 GLN 359 HE21 0.01 0.45 0.10 -0.04 6.97 7.49 3ghgH1 GLN 359 HE22 -0.02 -0.13 -0.02 -0.04 7.69 7.48 3ghgH1 LEU 360 H -0.03 0.03 -0.34 -0.55 8.37 7.48 3ghgH1 LEU 360 HA -0.02 0.09 0.64 -0.75 4.35 4.31 3ghgH1 LEU 360 HB2 -0.05 0.10 -0.08 -0.04 1.64 1.56 3ghgH1 LEU 360 HB3 -0.05 -0.07 -0.27 -0.04 1.64 1.21 3ghgH1 LEU 360 HG -0.06 -0.10 -0.07 -0.04 1.64 1.37 3ghgH1 LEU 360 HD13 -0.09 -0.00 -0.16 -0.04 0.93 0.64 3ghgH1 LEU 360 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.75 3ghgH1 MET 361 H -0.02 0.09 0.11 -0.55 8.47 8.10 3ghgH1 MET 361 HA -0.01 0.31 0.81 -0.75 4.52 4.88 3ghgH1 MET 361 HB2 -0.01 -0.04 0.05 -0.04 2.15 2.11 3ghgH1 MET 361 HB3 -0.01 -0.02 0.02 -0.04 2.03 1.98 3ghgH1 MET 361 HG2 -0.01 0.07 -0.30 -0.04 2.63 2.35 3ghgH1 MET 361 HG3 -0.01 -0.00 -0.04 -0.04 2.56 2.47 3ghgH1 MET 361 HE3 -0.00 -0.01 -0.01 -0.04 2.10 2.03 3ghgH1 GLY 362 H -0.01 0.21 0.12 -0.55 8.43 8.21 3ghgH1 GLY 362 HA2 -0.01 0.12 0.34 -0.51 4.01 3.95 3ghgH1 GLY 362 HA3 -0.01 -0.00 0.43 -0.51 4.01 3.92 3ghgH1 GLU 363 H -0.01 0.11 0.22 -0.55 8.60 8.37 3ghgH1 GLU 363 HA -0.01 0.08 0.40 -0.75 4.29 4.01 3ghgH1 GLU 363 HB2 -0.01 0.00 0.15 -0.04 2.09 2.20 3ghgH1 GLU 363 HB3 -0.01 -0.04 0.18 -0.04 1.99 2.08 3ghgH1 GLU 363 HG2 -0.01 0.03 -0.24 -0.04 2.34 2.08 3ghgH1 GLU 363 HG3 -0.01 0.03 0.01 -0.04 2.34 2.34 3ghgH1 ASN 364 H -0.03 0.30 0.07 -0.55 8.53 8.32 3ghgH1 ASN 364 HA -0.05 0.10 0.38 -0.75 4.76 4.44 3ghgH1 ASN 364 HB2 -0.04 -0.04 0.11 -0.04 2.88 2.87 3ghgH1 ASN 364 HB3 -0.06 -0.00 0.02 -0.04 2.79 2.71 3ghgH1 ASN 364 HD21 -0.02 0.01 0.03 -0.04 7.03 7.01 3ghgH1 ASN 364 HD22 -0.02 -0.01 0.07 -0.04 7.74 7.74 3ghgH1 ARG 365 H -0.04 0.28 -0.64 -0.55 8.46 7.51 3ghgH1 ARG 365 HA -0.07 -0.04 0.27 -0.75 4.34 3.74 3ghgH1 ARG 365 HB2 -0.04 0.11 -0.48 -0.04 1.90 1.45 3ghgH1 ARG 365 HB3 -0.03 0.09 -0.25 -0.04 1.80 1.57 3ghgH1 ARG 365 HG2 -0.05 0.01 -0.63 -0.04 1.67 0.95 3ghgH1 ARG 365 HG3 -0.05 0.01 -0.33 -0.04 1.67 1.25 3ghgH1 ARG 365 HD2 -0.03 -0.09 -0.10 -0.04 3.22 2.97 3ghgH1 ARG 365 HD3 -0.03 0.14 -0.13 -0.04 3.22 3.16 3ghgH1 THR 366 H -0.04 0.43 -0.14 -0.55 8.28 7.98 3ghgH1 THR 366 HA -0.05 0.10 0.11 -0.75 4.39 3.79 3ghgH1 THR 366 HB -0.03 0.01 0.09 -0.04 4.32 4.35 3ghgH1 THR 366 HG23 -0.02 0.06 0.01 -0.04 1.22 1.23 3ghgH1 MET 367 H -0.06 0.26 -0.43 -0.55 8.47 7.70 3ghgH1 MET 367 HA -0.04 0.13 0.70 -0.75 4.52 4.55 3ghgH1 MET 367 HB2 -0.08 0.13 0.23 -0.04 2.15 2.39 3ghgH1 MET 367 HB3 -0.04 -0.09 0.12 -0.04 2.03 1.98 3ghgH1 MET 367 HG2 -0.07 0.07 0.10 -0.04 2.63 2.69 3ghgH1 MET 367 HG3 -0.11 0.05 -0.05 -0.04 2.56 2.41 3ghgH1 MET 367 HE3 -0.06 -0.04 -0.01 -0.04 2.10 1.95 3ghgH1 THR 368 H -0.11 0.70 -0.37 -0.55 8.28 7.96 3ghgH1 THR 368 HA -0.16 0.03 0.42 -0.75 4.39 3.92 3ghgH1 THR 368 HB -0.15 -0.21 -0.32 -0.04 4.32 3.60 3ghgH1 THR 368 HG23 -0.14 0.03 -0.03 -0.04 1.22 1.04 3ghgH1 ILE 369 H -0.14 0.39 -0.42 -0.55 8.25 7.52 3ghgH1 ILE 369 HA -0.24 -0.04 0.40 -0.75 4.18 3.54 3ghgH1 ILE 369 HB -0.07 0.16 0.03 -0.04 1.89 1.97 3ghgH1 ILE 369 HG12 -0.08 -0.22 -0.85 -0.04 1.49 0.30 3ghgH1 ILE 369 HG13 -0.08 -0.04 -0.21 -0.04 1.21 0.84 3ghgH1 ILE 369 HG23 -0.05 -0.02 -0.19 -0.04 0.93 0.63 3ghgH1 ILE 369 HD13 -0.03 0.09 -0.00 -0.04 0.88 0.89 3ghgH1 HIS 370 H -0.07 0.18 0.26 -0.55 8.41 8.24 3ghgH1 HIS 370 HA 0.05 0.28 0.63 -0.75 4.63 4.84 3ghgH1 HIS 370 HB2 -0.04 -0.11 0.18 -0.04 3.26 3.26 3ghgH1 HIS 370 HB3 -0.03 -0.01 0.13 -0.04 3.20 3.25 3ghgH1 HIS 370 HD2 -0.02 0.03 -0.08 -0.04 6.97 6.85 3ghgH1 HIS 370 HE1 0.35 0.03 0.18 -0.04 7.75 8.26 3ghgH1 ASN 371 H -0.01 0.40 0.24 -0.55 8.53 8.62 3ghgH1 ASN 371 HA -0.09 -0.12 0.41 -0.75 4.76 4.21 3ghgH1 ASN 371 HB2 -0.02 0.07 0.30 -0.04 2.88 3.18 3ghgH1 ASN 371 HB3 -0.02 0.06 0.11 -0.04 2.79 2.89 3ghgH1 ASN 371 HD21 0.01 0.24 0.13 -0.04 7.03 7.37 3ghgH1 ASN 371 HD22 0.01 -0.07 0.08 -0.04 7.74 7.72 3ghgH1 GLY 372 H -0.11 0.11 0.12 -0.55 8.43 8.01 3ghgH1 GLY 372 HA2 -0.13 0.09 0.45 -0.51 4.01 3.92 3ghgH1 GLY 372 HA3 -0.08 0.01 0.48 -0.51 4.01 3.91 3ghgH1 MET 373 H -0.03 0.50 -0.45 -0.55 8.47 7.94 3ghgH1 MET 373 HA 0.03 0.05 0.51 -0.75 4.52 4.35 3ghgH1 MET 373 HB2 0.21 0.01 0.15 -0.04 2.15 2.48 3ghgH1 MET 373 HB3 0.27 0.04 -0.03 -0.04 2.03 2.27 3ghgH1 MET 373 HG2 0.07 -0.04 -0.06 -0.04 2.63 2.56 3ghgH1 MET 373 HG3 0.17 -0.03 -0.23 -0.04 2.56 2.43 3ghgH1 MET 373 HE3 0.28 -0.00 0.04 -0.04 2.10 2.38 3ghgH1 PHE 374 H 0.45 0.17 0.19 -0.55 8.34 8.59 3ghgH1 PHE 374 HA 0.38 0.22 0.81 -0.75 4.62 5.27 3ghgH1 PHE 374 HB2 0.17 0.13 0.12 -0.04 3.15 3.54 3ghgH1 PHE 374 HB3 0.23 -0.04 0.22 -0.04 3.06 3.42 3ghgH1 PHE 374 HD2 0.14 0.07 0.05 -0.04 7.28 7.50 3ghgH1 PHE 374 HE2 0.07 -0.05 -0.00 -0.04 7.38 7.36 3ghgH1 PHE 374 HZ 0.06 -0.08 0.01 -0.04 7.32 7.27 3ghgH1 PHE 375 H 0.62 0.36 0.13 -0.55 8.34 8.90 3ghgH1 PHE 375 HA -0.35 0.17 0.79 -0.75 4.62 4.47 3ghgH1 PHE 375 HB2 -0.06 0.21 -0.11 -0.04 3.15 3.15 3ghgH1 PHE 375 HB3 0.39 -0.11 -0.12 -0.04 3.06 3.18 3ghgH1 PHE 375 HD2 -1.56 -0.00 -0.27 -0.04 7.28 5.40 3ghgH1 PHE 375 HE2 -1.13 -0.03 -0.16 -0.04 7.38 6.02 3ghgH1 PHE 375 HZ -0.97 0.09 -0.21 -0.04 7.32 6.20 3ghgH1 SER 376 H -0.67 0.53 0.32 -0.55 8.46 8.09 3ghgH1 SER 376 HA 0.15 0.22 0.95 -0.75 4.49 5.06 3ghgH1 SER 376 HB2 0.18 -0.05 0.18 -0.04 3.95 4.22 3ghgH1 SER 376 HB3 0.08 0.02 0.18 -0.04 3.93 4.17 3ghgH1 THR 377 H 0.17 0.33 0.29 -0.55 8.28 8.53 3ghgH1 THR 377 HA -0.01 0.27 0.61 -0.75 4.39 4.51 3ghgH1 THR 377 HB 0.09 0.02 0.08 -0.04 4.32 4.47 3ghgH1 THR 377 HG23 0.05 0.06 -0.25 -0.04 1.22 1.04 3ghgH1 TYR 378 H 0.14 0.29 -0.06 -0.55 8.29 8.11 3ghgH1 TYR 378 HA 0.01 0.05 0.04 -0.75 4.56 3.90 3ghgH1 TYR 378 HB2 0.02 0.01 -0.03 -0.04 3.06 3.02 3ghgH1 TYR 378 HB3 0.04 0.20 -0.17 -0.04 2.98 3.01 3ghgH1 TYR 378 HD2 0.06 0.03 -0.22 -0.04 7.15 6.97 3ghgH1 TYR 378 HE2 0.05 0.14 -0.10 -0.04 6.85 6.90 3ghgH1 ASP 379 H -0.18 -0.07 -0.34 -0.55 8.40 7.26 3ghgH1 ASP 379 HA -0.02 0.33 0.92 -0.75 4.63 5.11 3ghgH1 ASP 379 HB2 -0.06 0.07 0.16 -0.04 2.71 2.84 3ghgH1 ASP 379 HB3 -0.22 0.02 -0.01 -0.04 2.70 2.46 3ghgH1 ARG 380 H -0.00 0.30 -0.26 -0.55 8.46 7.94 3ghgH1 ARG 380 HA -0.16 0.20 0.85 -0.75 4.34 4.48 3ghgH1 ARG 380 HB2 -0.14 -0.19 -0.11 -0.04 1.90 1.42 3ghgH1 ARG 380 HB3 -0.23 -0.05 0.13 -0.04 1.80 1.60 3ghgH1 ARG 380 HG2 -1.43 -0.01 -0.02 -0.04 1.67 0.17 3ghgH1 ARG 380 HG3 -0.51 0.10 -0.03 -0.04 1.67 1.19 3ghgH1 ARG 380 HD2 -0.35 0.06 0.04 -0.04 3.22 2.93 3ghgH1 ARG 380 HD3 -0.25 0.19 0.04 -0.04 3.22 3.16 3ghgH1 ASP 381 H -0.10 0.23 0.06 -0.55 8.40 8.04 3ghgH1 ASP 381 HA 0.00 -0.02 0.68 -0.75 4.63 4.53 3ghgH1 ASP 381 HB2 -0.02 0.01 0.02 -0.04 2.71 2.68 3ghgH1 ASP 381 HB3 -0.05 0.05 0.19 -0.04 2.70 2.85 3ghgH1 ASN 382 H 0.04 0.15 0.15 -0.55 8.53 8.31 3ghgH1 ASN 382 HA -0.08 0.21 0.60 -0.75 4.76 4.74 3ghgH1 ASN 382 HB2 0.14 0.11 -0.02 -0.04 2.88 3.07 3ghgH1 ASN 382 HB3 -0.13 0.02 0.18 -0.04 2.79 2.82 3ghgH1 ASN 382 HD21 -0.38 -0.14 -0.07 -0.04 7.03 6.39 3ghgH1 ASN 382 HD22 0.11 0.55 0.12 -0.04 7.74 8.48 3ghgH1 ASP 383 H 0.08 -0.02 -0.06 -0.55 8.40 7.86 3ghgH1 ASP 383 HA 0.21 0.41 0.31 -0.75 4.63 4.80 3ghgH1 ASP 383 HB2 0.19 -0.20 0.10 -0.04 2.71 2.76 3ghgH1 ASP 383 HB3 0.15 -0.07 0.12 -0.04 2.70 2.86 3ghgH1 GLY 384 H 0.16 -0.11 -0.07 -0.55 8.43 7.87 3ghgH1 GLY 384 HA2 0.13 0.20 0.46 -0.51 4.01 4.29 3ghgH1 GLY 384 HA3 0.10 0.19 0.01 -0.51 4.01 3.81 3ghgH1 TRP 385 H 0.30 -0.15 -0.25 -0.55 7.97 7.33 3ghgH1 TRP 385 HA 0.01 0.08 0.22 -0.75 4.62 4.18 3ghgH1 TRP 385 HB2 0.00 -0.22 0.07 -0.04 3.23 3.04 3ghgH1 TRP 385 HB3 -0.01 0.13 0.06 -0.04 3.23 3.37 3ghgH1 TRP 385 HD1 -0.00 0.07 -0.09 -0.04 7.22 7.16 3ghgH1 TRP 385 HE1 -0.01 0.02 -0.09 -0.04 10.20 10.08 3ghgH1 TRP 385 HE3 -0.04 -0.22 -0.36 -0.04 7.59 6.93 3ghgH1 TRP 385 HZ2 -0.01 0.03 -0.09 -0.04 7.44 7.33 3ghgH1 TRP 385 HZ3 -0.07 0.09 -0.27 -0.04 7.13 6.84 3ghgH1 TRP 385 HH2 -0.03 0.05 -0.08 -0.04 7.19 7.09 3ghgH1 LEU 386 H 0.21 0.19 0.18 -0.55 8.37 8.40 3ghgH1 LEU 386 HA 0.03 0.20 0.78 -0.75 4.35 4.60 3ghgH1 LEU 386 HB2 0.05 -0.07 0.23 -0.04 1.64 1.81 3ghgH1 LEU 386 HB3 0.02 -0.00 0.05 -0.04 1.64 1.67 3ghgH1 LEU 386 HG 0.08 0.07 0.10 -0.04 1.64 1.85 3ghgH1 LEU 386 HD13 0.03 -0.02 0.00 -0.04 0.93 0.91 3ghgH1 LEU 386 HD23 0.07 -0.04 -0.38 -0.04 0.89 0.51 3ghgH1 THR 387 H -0.11 0.41 0.12 -0.55 8.28 8.15 3ghgH1 THR 387 HA -0.10 0.14 0.65 -0.75 4.39 4.33 3ghgH1 THR 387 HB -0.27 0.10 -0.08 -0.04 4.32 4.03 3ghgH1 THR 387 HG23 -0.18 -0.05 0.11 -0.04 1.22 1.06 3ghgH1 SER 388 H -0.10 0.02 0.15 -0.55 8.46 7.98 3ghgH1 SER 388 HA -0.08 0.24 0.85 -0.75 4.49 4.75 3ghgH1 SER 388 HB2 -0.05 0.01 0.07 -0.04 3.95 3.93 3ghgH1 SER 388 HB3 -0.06 -0.06 0.07 -0.04 3.93 3.84 3ghgH1 ASP 389 H -0.12 -0.05 0.11 -0.55 8.40 7.79 3ghgH1 ASP 389 HA -0.09 0.10 0.42 -0.75 4.63 4.30 3ghgH1 ASP 389 HB2 -0.12 0.03 0.13 -0.04 2.71 2.71 3ghgH1 ASP 389 HB3 -0.22 -0.01 0.06 -0.04 2.70 2.49 3ghgH1 PRO 390 HA -0.09 0.21 0.33 -0.51 4.44 4.38 3ghgH1 PRO 390 HB2 -0.04 0.02 -0.04 -0.04 2.28 2.18 3ghgH1 PRO 390 HB3 -0.04 0.07 0.08 -0.04 2.02 2.08 3ghgH1 PRO 390 HG2 -0.04 0.03 0.09 -0.04 2.03 2.07 3ghgH1 PRO 390 HG3 -0.04 0.09 0.10 -0.04 2.03 2.13 3ghgH1 PRO 390 HD2 -0.07 -0.01 0.19 -0.04 3.68 3.75 3ghgH1 PRO 390 HD3 -0.07 0.12 0.23 -0.04 3.65 3.89 3ghgH1 ARG 391 H -0.10 0.11 -0.08 -0.55 8.46 7.83 3ghgH1 ARG 391 HA -0.09 0.08 0.30 -0.75 4.34 3.88 3ghgH1 ARG 391 HB2 -0.08 -0.04 0.05 -0.04 1.90 1.79 3ghgH1 ARG 391 HB3 -0.07 0.02 -0.04 -0.04 1.80 1.67 3ghgH1 ARG 391 HG2 -0.03 0.03 0.04 -0.04 1.67 1.67 3ghgH1 ARG 391 HG3 -0.02 -0.01 0.01 -0.04 1.67 1.61 3ghgH1 ARG 391 HD2 0.03 0.02 -0.00 -0.04 3.22 3.23 3ghgH1 ARG 391 HD3 0.06 0.03 0.00 -0.04 3.22 3.27 3ghgH1 LYS 392 H -0.32 0.13 -0.84 -0.55 8.42 6.84 3ghgH1 LYS 392 HA -1.21 0.05 0.47 -0.75 4.32 2.88 3ghgH1 LYS 392 HB2 -0.69 0.15 0.04 -0.04 1.87 1.33 3ghgH1 LYS 392 HB3 -1.94 -0.03 -0.02 -0.04 1.79 -0.24 3ghgH1 LYS 392 HG2 -0.37 -0.09 -0.11 -0.04 1.46 0.85 3ghgH1 LYS 392 HG3 -0.49 -0.02 -0.04 -0.04 1.46 0.87 3ghgH1 LYS 392 HD2 -0.53 0.02 -0.10 -0.04 1.69 1.04 3ghgH1 LYS 392 HD3 -0.37 -0.00 -0.29 -0.04 1.68 0.98 3ghgH1 LYS 392 HE2 -0.15 -0.05 -0.06 -0.04 2.99 2.69 3ghgH1 LYS 392 HE3 -0.09 0.02 -0.06 -0.04 2.99 2.82 3ghgH1 GLN 393 H -0.07 0.58 -0.05 -0.55 8.47 8.39 3ghgH1 GLN 393 HA 0.18 0.12 0.67 -0.75 4.36 4.58 3ghgH1 GLN 393 HB2 -0.00 0.04 -0.00 -0.04 2.15 2.15 3ghgH1 GLN 393 HB3 0.04 -0.16 -0.08 -0.04 2.02 1.78 3ghgH1 GLN 393 HG2 -0.02 -0.01 -0.00 -0.04 2.40 2.33 3ghgH1 GLN 393 HG3 -0.10 0.22 -0.48 -0.04 2.39 1.99 3ghgH1 GLN 393 HE21 -0.03 -0.04 -0.05 -0.04 6.97 6.81 3ghgH1 GLN 393 HE22 -0.06 0.08 -0.05 -0.04 7.69 7.62 3ghgH1 CYS 394 H 0.27 0.16 0.10 -0.55 8.50 8.49 3ghgH1 CYS 394 HA -0.01 0.09 0.30 -0.75 4.58 4.20 3ghgH1 CYS 394 HB2 -0.09 0.01 0.16 -0.04 2.97 3.00 3ghgH1 CYS 394 HB3 -0.56 0.09 -0.01 -0.04 2.97 2.45 3ghgH1 SER 395 H -0.14 0.11 -0.18 -0.55 8.46 7.70 3ghgH1 SER 395 HA -0.42 0.13 0.26 -0.75 4.49 3.71 3ghgH1 SER 395 HB2 -0.01 -0.01 -0.16 -0.04 3.95 3.72 3ghgH1 SER 395 HB3 0.04 0.03 -0.54 -0.04 3.93 3.41 3ghgH1 LYS 396 H -0.01 0.22 -0.51 -0.55 8.42 7.56 3ghgH1 LYS 396 HA 0.00 0.07 0.53 -0.75 4.32 4.16 3ghgH1 LYS 396 HB2 -0.06 0.17 0.17 -0.04 1.87 2.12 3ghgH1 LYS 396 HB3 -0.15 0.00 0.01 -0.04 1.79 1.61 3ghgH1 LYS 396 HG2 0.07 -0.12 -0.04 -0.04 1.46 1.33 3ghgH1 LYS 396 HG3 -0.01 0.10 -0.00 -0.04 1.46 1.50 3ghgH1 LYS 396 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.59 3ghgH1 LYS 396 HD3 0.11 -0.00 0.01 -0.04 1.68 1.76 3ghgH1 LYS 396 HE2 0.06 -0.04 -0.03 -0.04 2.99 2.94 3ghgH1 LYS 396 HE3 0.04 0.06 -0.03 -0.04 2.99 3.02 3ghgH1 GLU 397 H -0.05 0.28 -0.00 -0.55 8.60 8.28 3ghgH1 GLU 397 HA -0.03 0.15 0.44 -0.75 4.29 4.10 3ghgH1 GLU 397 HB2 0.11 -0.13 0.01 -0.04 2.09 2.04 3ghgH1 GLU 397 HB3 -0.15 0.07 0.06 -0.04 1.99 1.93 3ghgH1 GLU 397 HG2 0.09 0.13 0.16 -0.04 2.34 2.67 3ghgH1 GLU 397 HG3 0.05 -0.07 -0.01 -0.04 2.34 2.27 3ghgH1 ASP 398 H -0.08 0.51 -0.01 -0.55 8.40 8.28 3ghgH1 ASP 398 HA 0.08 0.05 0.52 -0.75 4.63 4.52 3ghgH1 ASP 398 HB2 -0.16 0.10 -0.02 -0.04 2.71 2.60 3ghgH1 ASP 398 HB3 0.11 0.02 0.03 -0.04 2.70 2.82 3ghgH1 GLY 399 H 0.04 0.23 -0.53 -0.55 8.43 7.62 3ghgH1 GLY 399 HA2 0.08 0.08 0.15 -0.51 4.01 3.81 3ghgH1 GLY 399 HA3 0.09 -0.11 -0.03 -0.51 4.01 3.46 3ghgH1 GLY 400 H 0.14 0.19 -0.01 -0.55 8.43 8.20 3ghgH1 GLY 400 HA2 0.28 0.12 0.58 -0.51 4.01 4.48 3ghgH1 GLY 400 HA3 0.21 0.30 0.30 -0.51 4.01 4.31 3ghgH1 GLY 401 H 0.10 0.27 0.22 -0.55 8.43 8.47 3ghgH1 GLY 401 HA2 -0.36 0.29 0.93 -0.51 4.01 4.36 3ghgH1 GLY 401 HA3 -1.48 -0.03 0.37 -0.51 4.01 2.37 3ghgH1 TRP 402 H -0.68 0.52 0.42 -0.55 7.97 7.69 3ghgH1 TRP 402 HA -0.95 0.14 0.70 -0.75 4.62 3.75 3ghgH1 TRP 402 HB2 -0.68 0.04 -0.62 -0.04 3.23 1.93 3ghgH1 TRP 402 HB3 -1.95 -0.05 -0.20 -0.04 3.23 0.99 3ghgH1 TRP 402 HD1 -0.68 -0.00 -0.31 -0.04 7.22 6.19 3ghgH1 TRP 402 HE1 -1.02 -0.01 0.04 -0.04 10.20 9.16 3ghgH1 TRP 402 HE3 -0.23 0.24 0.14 -0.04 7.59 7.70 3ghgH1 TRP 402 HZ2 -0.11 -0.07 -0.05 -0.04 7.44 7.17 3ghgH1 TRP 402 HZ3 0.39 0.04 -0.05 -0.04 7.13 7.46 3ghgH1 TRP 402 HH2 0.24 -0.01 -0.06 -0.04 7.19 7.32 3ghgH1 TRP 403 H -1.67 0.13 0.10 -0.55 7.97 5.98 3ghgH1 TRP 403 HA -0.15 0.65 0.88 -0.75 4.62 5.25 3ghgH1 TRP 403 HB2 -0.79 -0.14 0.19 -0.04 3.23 2.45 3ghgH1 TRP 403 HB3 -0.17 0.11 0.15 -0.04 3.23 3.27 3ghgH1 TRP 403 HD1 0.07 0.15 -0.52 -0.04 7.22 6.88 3ghgH1 TRP 403 HE1 0.19 0.84 -0.04 -0.04 10.20 11.15 3ghgH1 TRP 403 HE3 -2.03 -0.06 0.03 -0.04 7.59 5.49 3ghgH1 TRP 403 HZ2 0.06 0.01 -0.14 -0.04 7.44 7.33 3ghgH1 TRP 403 HZ3 -0.12 -0.02 -0.05 -0.04 7.13 6.90 3ghgH1 TRP 403 HH2 0.34 0.00 -0.09 -0.04 7.19 7.41 3ghgH1 TYR 404 H 0.10 0.37 -0.04 -0.55 8.29 8.17 3ghgH1 TYR 404 HA 0.40 0.25 0.41 -0.75 4.56 4.87 3ghgH1 TYR 404 HB2 0.10 -0.02 0.11 -0.04 3.06 3.21 3ghgH1 TYR 404 HB3 0.14 -0.24 0.09 -0.04 2.98 2.93 3ghgH1 TYR 404 HD2 0.12 0.10 -0.04 -0.04 7.15 7.29 3ghgH1 TYR 404 HE2 0.00 0.19 -0.17 -0.04 6.85 6.84 3ghgH1 ASN 405 H 0.27 0.38 0.23 -0.55 8.53 8.87 3ghgH1 ASN 405 HA 0.15 0.12 0.86 -0.75 4.76 5.13 3ghgH1 ASN 405 HB2 0.07 0.14 -0.15 -0.04 2.88 2.90 3ghgH1 ASN 405 HB3 -0.04 -0.07 -0.25 -0.04 2.79 2.39 3ghgH1 ASN 405 HD21 -0.03 0.00 0.09 -0.04 7.03 7.05 3ghgH1 ASN 405 HD22 -0.10 -0.19 -0.24 -0.04 7.74 7.17 3ghgH1 ARG 406 H 0.08 -0.08 0.14 -0.55 8.46 8.05 3ghgH1 ARG 406 HA -0.33 -0.13 0.37 -0.75 4.34 3.50 3ghgH1 ARG 406 HB2 -0.01 -0.27 -0.29 -0.04 1.90 1.28 3ghgH1 ARG 406 HB3 -0.08 0.48 0.49 -0.04 1.80 2.65 3ghgH1 ARG 406 HG2 -0.64 -0.04 0.00 -0.04 1.67 0.96 3ghgH1 ARG 406 HG3 -0.35 -0.10 -0.08 -0.04 1.67 1.10 3ghgH1 ARG 406 HD2 -0.01 0.07 -0.02 -0.04 3.22 3.22 3ghgH1 ARG 406 HD3 -0.12 0.06 0.13 -0.04 3.22 3.24 3ghgH1 CYS 407 H -0.21 0.01 0.00 -0.55 8.50 7.76 3ghgH1 CYS 407 HA 0.05 -0.34 0.45 -0.75 4.58 3.98 3ghgH1 CYS 407 HB2 -0.20 0.09 0.06 -0.04 2.97 2.88 3ghgH1 CYS 407 HB3 0.13 0.06 -0.05 -0.04 2.97 3.07 3ghgH1 HIS 408 H -0.28 0.17 0.15 -0.55 8.41 7.91 3ghgH1 HIS 408 HA 0.14 0.23 0.41 -0.75 4.63 4.65 3ghgH1 HIS 408 HB2 0.20 0.14 -0.15 -0.04 3.26 3.42 3ghgH1 HIS 408 HB3 0.34 0.08 -0.29 -0.04 3.20 3.28 3ghgH1 HIS 408 HD2 0.22 -0.09 -0.26 -0.04 6.97 6.80 3ghgH1 HIS 408 HE1 -0.11 0.13 -0.08 -0.04 7.75 7.65 3ghgH1 ALA 409 H 0.22 0.42 0.22 -0.55 8.40 8.72 3ghgH1 ALA 409 HA -0.06 0.06 0.79 -0.75 4.34 4.37 3ghgH1 ALA 409 HB3 -0.13 -0.03 0.12 -0.04 1.41 1.33 3ghgH1 ALA 410 H 0.36 0.21 0.13 -0.55 8.40 8.55 3ghgH1 ALA 410 HA -0.15 0.38 0.98 -0.75 4.34 4.80 3ghgH1 ALA 410 HB3 -0.58 -0.02 0.02 -0.04 1.41 0.79 3ghgH1 ASN 411 H -0.26 0.91 0.22 -0.55 8.53 8.85 3ghgH1 ASN 411 HA -1.17 0.15 0.75 -0.75 4.76 3.74 3ghgH1 ASN 411 HB2 -1.36 -0.02 -0.17 -0.04 2.88 1.29 3ghgH1 ASN 411 HB3 -0.50 0.17 0.29 -0.04 2.79 2.71 3ghgH1 ASN 411 HD21 -0.05 0.74 0.20 -0.04 7.03 7.89 3ghgH1 ASN 411 HD22 -0.26 0.13 0.16 -0.04 7.74 7.73 3ghgH1 PRO 412 HA -0.20 0.12 0.51 -0.51 4.44 4.36 3ghgH1 PRO 412 HB2 -0.17 0.07 -0.15 -0.04 2.28 1.99 3ghgH1 PRO 412 HB3 -0.07 0.03 -0.03 -0.04 2.02 1.91 3ghgH1 PRO 412 HG2 -0.16 0.05 -0.08 -0.04 2.03 1.81 3ghgH1 PRO 412 HG3 -0.03 0.01 -0.12 -0.04 2.03 1.84 3ghgH1 PRO 412 HD2 -2.99 0.13 0.01 -0.04 3.68 0.80 3ghgH1 PRO 412 HD3 -1.20 0.11 -0.49 -0.04 3.65 2.03 3ghgH1 ASN 413 H -0.53 0.06 -0.31 -0.55 8.53 7.20 3ghgH1 ASN 413 HA -0.19 0.25 0.81 -0.75 4.76 4.88 3ghgH1 ASN 413 HB2 0.03 -0.03 -0.01 -0.04 2.88 2.83 3ghgH1 ASN 413 HB3 0.39 0.02 0.25 -0.04 2.79 3.41 3ghgH1 ASN 413 HD21 0.24 -0.03 -0.08 -0.04 7.03 7.11 3ghgH1 ASN 413 HD22 0.48 0.03 0.02 -0.04 7.74 8.22 3ghgH1 GLY 414 H -0.22 0.08 -0.56 -0.55 8.43 7.18 3ghgH1 GLY 414 HA2 0.01 0.20 0.42 -0.51 4.01 4.13 3ghgH1 GLY 414 HA3 -0.08 -0.02 0.07 -0.51 4.01 3.48 3ghgH1 ARG 415 H 0.08 0.01 0.02 -0.55 8.46 8.01 3ghgH1 ARG 415 HA 0.08 0.15 0.40 -0.75 4.34 4.22 3ghgH1 ARG 415 HB2 0.02 0.01 -0.15 -0.04 1.90 1.74 3ghgH1 ARG 415 HB3 -0.04 0.02 0.00 -0.04 1.80 1.74 3ghgH1 ARG 415 HG2 0.09 0.13 0.01 -0.04 1.67 1.86 3ghgH1 ARG 415 HG3 0.12 -0.06 -0.11 -0.04 1.67 1.58 3ghgH1 ARG 415 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 3ghgH1 ARG 415 HD3 0.06 0.02 -0.00 -0.04 3.22 3.26 3ghgH1 TYR 416 H 0.14 0.16 0.08 -0.55 8.29 8.13 3ghgH1 TYR 416 HA 0.11 0.09 0.42 -0.75 4.56 4.43 3ghgH1 TYR 416 HB2 0.05 0.07 0.06 -0.04 3.06 3.19 3ghgH1 TYR 416 HB3 0.12 -0.06 0.15 -0.04 2.98 3.15 3ghgH1 TYR 416 HD2 0.20 -0.06 -0.19 -0.04 7.15 7.05 3ghgH1 TYR 416 HE2 0.04 -0.02 -0.20 -0.04 6.85 6.62 3ghgH1 TYR 417 H 0.10 0.21 0.12 -0.55 8.29 8.17 3ghgH1 TYR 417 HA -0.02 0.07 0.64 -0.75 4.56 4.50 3ghgH1 TYR 417 HB2 -0.29 0.01 -0.01 -0.04 3.06 2.73 3ghgH1 TYR 417 HB3 -0.16 0.11 -0.19 -0.04 2.98 2.69 3ghgH1 TYR 417 HD2 -0.18 0.07 -0.09 -0.04 7.15 6.91 3ghgH1 TYR 417 HE2 -0.08 -0.02 -0.22 -0.04 6.85 6.48 3ghgH1 TRP 418 H 0.16 0.14 0.14 -0.55 7.97 7.87 3ghgH1 TRP 418 HA -0.52 0.05 0.40 -0.75 4.62 3.81 3ghgH1 TRP 418 HB2 -0.03 0.03 0.13 -0.04 3.23 3.31 3ghgH1 TRP 418 HB3 -0.18 0.01 0.10 -0.04 3.23 3.13 3ghgH1 TRP 418 HD1 -0.19 0.01 -0.14 -0.04 7.22 6.85 3ghgH1 TRP 418 HE1 0.11 0.01 0.00 -0.04 10.20 10.28 3ghgH1 TRP 418 HE3 0.42 0.03 -0.04 -0.04 7.59 7.96 3ghgH1 TRP 418 HZ2 0.24 0.01 0.03 -0.04 7.44 7.68 3ghgH1 TRP 418 HZ3 0.33 -0.16 0.06 -0.04 7.13 7.31 3ghgH1 TRP 418 HH2 0.20 0.00 0.06 -0.04 7.19 7.41 3ghgH1 GLY 419 H -4.13 0.16 0.19 -0.55 8.43 4.10 3ghgH1 GLY 419 HA2 -1.24 0.00 0.38 -0.51 4.01 2.64 3ghgH1 GLY 419 HA3 -0.69 0.17 0.65 -0.51 4.01 3.63 3ghgH1 GLY 420 H -1.33 0.43 -0.41 -0.55 8.43 6.57 3ghgH1 GLY 420 HA2 -0.46 0.46 0.41 -0.51 4.01 3.91 3ghgH1 GLY 420 HA3 -1.18 -0.04 0.56 -0.51 4.01 2.84 3ghgH1 GLN 421 H -0.52 0.28 -0.45 -0.55 8.47 7.23 3ghgH1 GLN 421 HA -0.18 0.17 0.54 -0.75 4.36 4.13 3ghgH1 GLN 421 HB2 -0.17 -0.02 0.06 -0.04 2.15 1.98 3ghgH1 GLN 421 HB3 -0.10 0.01 0.01 -0.04 2.02 1.90 3ghgH1 GLN 421 HG2 -0.19 0.01 0.07 -0.04 2.40 2.25 3ghgH1 GLN 421 HG3 -0.08 -0.02 0.04 -0.04 2.39 2.28 3ghgH1 GLN 421 HE21 0.12 0.00 0.00 -0.04 6.97 7.05 3ghgH1 GLN 421 HE22 0.12 -0.03 0.01 -0.04 7.69 7.74 3ghgH1 TYR 422 H -0.00 0.47 0.28 -0.55 8.29 8.48 3ghgH1 TYR 422 HA -0.09 0.10 0.49 -0.75 4.56 4.30 3ghgH1 TYR 422 HB2 -0.28 -0.09 0.08 -0.04 3.06 2.73 3ghgH1 TYR 422 HB3 -0.29 0.08 -0.31 -0.04 2.98 2.41 3ghgH1 TYR 422 HD2 -0.23 0.04 -0.22 -0.04 7.15 6.71 3ghgH1 TYR 422 HE2 -0.10 -0.03 -0.27 -0.04 6.85 6.41 3ghgH1 THR 423 H 0.07 0.24 0.17 -0.55 8.28 8.20 3ghgH1 THR 423 HA -0.65 0.24 0.87 -0.75 4.39 4.09 3ghgH1 THR 423 HB -0.43 -0.03 0.08 -0.04 4.32 3.89 3ghgH1 THR 423 HG23 -0.20 0.04 -0.29 -0.04 1.22 0.74 3ghgH1 TRP 424 H -0.55 0.20 0.15 -0.55 7.97 7.22 3ghgH1 TRP 424 HA 0.20 0.18 0.27 -0.75 4.62 4.52 3ghgH1 TRP 424 HB2 0.05 0.15 0.13 -0.04 3.23 3.52 3ghgH1 TRP 424 HB3 -0.51 0.01 0.14 -0.04 3.23 2.82 3ghgH1 TRP 424 HD1 -0.48 0.00 0.09 -0.04 7.22 6.79 3ghgH1 TRP 424 HE1 -0.16 0.02 0.01 -0.04 10.20 10.03 3ghgH1 TRP 424 HE3 0.03 0.03 -0.24 -0.04 7.59 7.36 3ghgH1 TRP 424 HZ2 -0.06 0.00 -0.02 -0.04 7.44 7.32 3ghgH1 TRP 424 HZ3 0.01 0.03 -0.07 -0.04 7.13 7.06 3ghgH1 TRP 424 HH2 -0.02 0.01 -0.03 -0.04 7.19 7.11 3ghgH1 ASP 425 H -1.36 0.03 -0.21 -0.55 8.40 6.30 3ghgH1 ASP 425 HA -0.60 0.19 0.52 -0.75 4.63 3.99 3ghgH1 ASP 425 HB2 -0.64 0.05 0.09 -0.04 2.71 2.18 3ghgH1 ASP 425 HB3 -1.99 -0.01 0.04 -0.04 2.70 0.71 3ghgH1 MET 426 H -0.15 0.35 -0.37 -0.55 8.47 7.76 3ghgH1 MET 426 HA -0.01 0.15 0.79 -0.75 4.52 4.69 3ghgH1 MET 426 HB2 0.18 0.05 0.17 -0.04 2.15 2.50 3ghgH1 MET 426 HB3 0.25 -0.01 0.01 -0.04 2.03 2.24 3ghgH1 MET 426 HG2 0.00 0.04 0.00 -0.04 2.63 2.64 3ghgH1 MET 426 HG3 -0.10 -0.09 -0.14 -0.04 2.56 2.19 3ghgH1 MET 426 HE3 0.15 0.04 0.01 -0.04 2.10 2.27 3ghgH1 ALA 427 H 0.23 0.21 -0.02 -0.55 8.40 8.27 3ghgH1 ALA 427 HA 0.37 0.02 0.36 -0.75 4.34 4.33 3ghgH1 ALA 427 HB3 0.43 -0.00 0.07 -0.04 1.41 1.87 3ghgH1 LYS 428 H 0.17 0.12 0.19 -0.55 8.42 8.34 3ghgH1 LYS 428 HA -0.00 0.14 0.31 -0.75 4.32 4.02 3ghgH1 LYS 428 HB2 -0.00 0.03 0.13 -0.04 1.87 1.99 3ghgH1 LYS 428 HB3 0.06 -0.04 0.14 -0.04 1.79 1.91 3ghgH1 LYS 428 HG2 -0.50 0.01 -0.30 -0.04 1.46 0.63 3ghgH1 LYS 428 HG3 -0.19 0.01 0.06 -0.04 1.46 1.30 3ghgH1 LYS 428 HD2 0.02 0.00 0.01 -0.04 1.69 1.67 3ghgH1 LYS 428 HD3 -0.07 -0.00 -0.02 -0.04 1.68 1.54 3ghgH1 LYS 428 HE2 -0.06 -0.01 0.01 -0.04 2.99 2.89 3ghgH1 LYS 428 HE3 -0.04 0.01 0.03 -0.04 2.99 2.95 3ghgH1 HIS 429 H 0.22 -0.02 -0.23 -0.55 8.41 7.84 3ghgH1 HIS 429 HA 0.12 0.28 0.92 -0.75 4.63 5.20 3ghgH1 HIS 429 HB2 0.11 0.03 0.10 -0.04 3.26 3.46 3ghgH1 HIS 429 HB3 0.12 -0.04 0.15 -0.04 3.20 3.38 3ghgH1 HIS 429 HD2 0.04 0.07 -0.06 -0.04 6.97 6.96 3ghgH1 HIS 429 HE1 0.03 -0.03 -0.02 -0.04 7.75 7.69 3ghgH1 GLY 430 H 0.28 0.26 -0.23 -0.55 8.43 8.19 3ghgH1 GLY 430 HA2 0.46 0.24 0.40 -0.51 4.01 4.61 3ghgH1 GLY 430 HA3 0.33 0.09 0.59 -0.51 4.01 4.51 3ghgH1 THR 431 H 0.27 -0.02 -0.50 -0.55 8.28 7.49 3ghgH1 THR 431 HA 0.16 0.12 0.34 -0.75 4.39 4.27 3ghgH1 THR 431 HB 0.05 -0.08 -0.01 -0.04 4.32 4.23 3ghgH1 THR 431 HG23 0.11 0.03 -0.10 -0.04 1.22 1.22 3ghgH1 ASP 432 H -0.14 0.10 -0.00 -0.55 8.40 7.82 3ghgH1 ASP 432 HA -0.56 0.22 0.67 -0.75 4.63 4.19 3ghgH1 ASP 432 HB2 -0.48 0.35 0.19 -0.04 2.71 2.72 3ghgH1 ASP 432 HB3 -1.50 -0.08 -0.03 -0.04 2.70 1.06 3ghgH1 ASP 433 H 0.13 0.08 -0.59 -0.55 8.40 7.48 3ghgH1 ASP 433 HA 0.05 0.11 0.50 -0.75 4.63 4.54 3ghgH1 ASP 433 HB2 0.12 -0.03 -0.19 -0.04 2.71 2.57 3ghgH1 ASP 433 HB3 0.13 0.18 0.21 -0.04 2.70 3.18 3ghgH1 GLY 434 H -0.02 0.13 0.19 -0.55 8.43 8.19 3ghgH1 GLY 434 HA2 0.06 0.23 0.35 -0.51 4.01 4.14 3ghgH1 GLY 434 HA3 -0.21 0.23 0.67 -0.51 4.01 4.19 3ghgH1 VAL 435 H 0.02 0.33 -0.08 -0.55 8.24 7.96 3ghgH1 VAL 435 HA -0.07 0.27 0.31 -0.75 4.13 3.88 3ghgH1 VAL 435 HB 0.07 -0.19 0.14 -0.04 2.12 2.09 3ghgH1 VAL 435 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.82 3ghgH1 VAL 435 HG23 0.08 0.06 -0.23 -0.04 0.95 0.82 3ghgH1 VAL 436 H -0.11 0.40 0.47 -0.55 8.24 8.46 3ghgH1 VAL 436 HA 0.16 0.32 0.79 -0.75 4.13 4.65 3ghgH1 VAL 436 HB -0.11 -0.17 0.10 -0.04 2.12 1.91 3ghgH1 VAL 436 HG13 0.10 -0.01 -0.32 -0.04 0.97 0.71 3ghgH1 VAL 436 HG23 0.05 0.20 -0.18 -0.04 0.95 0.98 3ghgH1 TRP 437 H 0.34 0.33 0.07 -0.55 7.97 8.16 3ghgH1 TRP 437 HA 0.08 0.11 0.73 -0.75 4.62 4.78 3ghgH1 TRP 437 HB2 0.10 0.09 -0.05 -0.04 3.23 3.33 3ghgH1 TRP 437 HB3 0.25 -0.02 0.18 -0.04 3.23 3.60 3ghgH1 TRP 437 HD1 0.18 -0.02 -0.12 -0.04 7.22 7.22 3ghgH1 TRP 437 HE1 0.06 0.19 -0.51 -0.04 10.20 9.89 3ghgH1 TRP 437 HE3 -0.01 0.08 -0.05 -0.04 7.59 7.56 3ghgH1 TRP 437 HZ2 0.15 0.09 0.07 -0.04 7.44 7.70 3ghgH1 TRP 437 HZ3 0.06 0.06 -0.06 -0.04 7.13 7.15 3ghgH1 TRP 437 HH2 0.15 0.01 -0.03 -0.04 7.19 7.28 3ghgH1 MET 438 H -0.16 0.77 0.10 -0.55 8.47 8.63 3ghgH1 MET 438 HA 0.07 0.01 0.02 -0.75 4.52 3.87 3ghgH1 MET 438 HB2 -0.09 -0.01 0.20 -0.04 2.15 2.21 3ghgH1 MET 438 HB3 -0.04 -0.11 0.10 -0.04 2.03 1.94 3ghgH1 MET 438 HG2 -0.03 -0.12 -0.25 -0.04 2.63 2.19 3ghgH1 MET 438 HG3 0.03 0.30 -0.05 -0.04 2.56 2.80 3ghgH1 MET 438 HE3 -0.07 -0.06 0.06 -0.04 2.10 1.99 3ghgH1 ASN 439 H -0.13 0.10 -0.36 -0.55 8.53 7.59 3ghgH1 ASN 439 HA 0.09 0.02 0.56 -0.75 4.76 4.68 3ghgH1 ASN 439 HB2 0.18 0.08 -0.12 -0.04 2.88 2.98 3ghgH1 ASN 439 HB3 0.17 0.07 0.13 -0.04 2.79 3.13 3ghgH1 ASN 439 HD21 -0.05 0.41 -0.21 -0.04 7.03 7.14 3ghgH1 ASN 439 HD22 0.03 0.01 -0.05 -0.04 7.74 7.69 3ghgH1 TRP 440 H 0.52 0.23 -0.22 -0.55 7.97 7.94 3ghgH1 TRP 440 HA 0.12 0.22 0.93 -0.75 4.62 5.13 3ghgH1 TRP 440 HB2 0.27 0.06 0.07 -0.04 3.23 3.59 3ghgH1 TRP 440 HB3 0.18 0.01 0.12 -0.04 3.23 3.50 3ghgH1 TRP 440 HD1 0.03 0.07 0.11 -0.04 7.22 7.39 3ghgH1 TRP 440 HE1 -0.03 -0.01 -0.04 -0.04 10.20 10.08 3ghgH1 TRP 440 HE3 -0.03 0.01 -0.08 -0.04 7.59 7.44 3ghgH1 TRP 440 HZ2 -0.07 -0.04 -0.19 -0.04 7.44 7.10 3ghgH1 TRP 440 HZ3 -0.10 -0.03 -0.29 -0.04 7.13 6.67 3ghgH1 TRP 440 HH2 -0.10 -0.07 -0.01 -0.04 7.19 6.97 3ghgH1 LYS 441 H 0.24 0.21 0.16 -0.55 8.42 8.47 3ghgH1 LYS 441 HA -0.21 0.21 0.83 -0.75 4.32 4.40 3ghgH1 LYS 441 HB2 0.05 0.05 0.00 -0.04 1.87 1.93 3ghgH1 LYS 441 HB3 -0.20 -0.00 0.06 -0.04 1.79 1.61 3ghgH1 LYS 441 HG2 -1.01 -0.07 -0.41 -0.04 1.46 -0.07 3ghgH1 LYS 441 HG3 -0.74 -0.03 -0.11 -0.04 1.46 0.54 3ghgH1 LYS 441 HD2 -1.18 -0.01 -0.04 -0.04 1.69 0.42 3ghgH1 LYS 441 HD3 -0.96 0.13 -0.07 -0.04 1.68 0.74 3ghgH1 LYS 441 HE2 -2.98 0.03 -0.09 -0.04 2.99 -0.09 3ghgH1 LYS 441 HE3 -1.50 -0.11 -0.05 -0.04 2.99 1.30 3ghgH1 GLY 442 H 0.10 0.09 0.05 -0.55 8.43 8.12 3ghgH1 GLY 442 HA2 0.03 0.02 0.42 -0.51 4.01 3.98 3ghgH1 GLY 442 HA3 0.07 0.11 0.42 -0.51 4.01 4.09 3ghgH1 SER 443 H -0.07 0.12 0.13 -0.55 8.46 8.09 3ghgH1 SER 443 HA -0.19 0.07 0.28 -0.75 4.49 3.89 3ghgH1 SER 443 HB2 -0.43 -0.03 0.11 -0.04 3.95 3.56 3ghgH1 SER 443 HB3 -1.38 0.04 -0.05 -0.04 3.93 2.50 3ghgH1 TRP 444 H 0.05 0.06 -0.58 -0.55 7.97 6.95 3ghgH1 TRP 444 HA -0.72 0.19 0.39 -0.75 4.62 3.73 3ghgH1 TRP 444 HB2 -0.16 -0.00 0.07 -0.04 3.23 3.10 3ghgH1 TRP 444 HB3 -0.45 0.16 0.16 -0.04 3.23 3.06 3ghgH1 TRP 444 HD1 -0.07 -0.01 -0.02 -0.04 7.22 7.08 3ghgH1 TRP 444 HE1 -0.05 -0.00 -0.04 -0.04 10.20 10.06 3ghgH1 TRP 444 HE3 -1.54 0.04 -0.36 -0.04 7.59 5.69 3ghgH1 TRP 444 HZ2 0.02 0.01 -0.08 -0.04 7.44 7.35 3ghgH1 TRP 444 HZ3 -0.04 0.05 -0.37 -0.04 7.13 6.73 3ghgH1 TRP 444 HH2 0.16 0.34 -0.21 -0.04 7.19 7.43 3ghgH1 TYR 445 H 0.28 0.40 -0.34 -0.55 8.29 8.08 3ghgH1 TYR 445 HA 0.20 0.30 0.67 -0.75 4.56 4.98 3ghgH1 TYR 445 HB2 0.04 0.07 -0.13 -0.04 3.06 3.00 3ghgH1 TYR 445 HB3 0.06 -0.07 0.00 -0.04 2.98 2.93 3ghgH1 TYR 445 HD2 0.06 0.04 -0.33 -0.04 7.15 6.87 3ghgH1 TYR 445 HE2 0.16 -0.06 -0.05 -0.04 6.85 6.86 3ghgH1 SER 446 H -0.07 0.77 0.17 -0.55 8.46 8.79 3ghgH1 SER 446 HA 0.13 0.36 0.69 -0.75 4.49 4.92 3ghgH1 SER 446 HB2 -0.38 0.05 -0.09 -0.04 3.95 3.49 3ghgH1 SER 446 HB3 -0.10 0.02 0.15 -0.04 3.93 3.96 3ghgH1 MET 447 H 0.19 0.46 0.22 -0.55 8.47 8.79 3ghgH1 MET 447 HA 0.43 -0.10 0.05 -0.75 4.52 4.14 3ghgH1 MET 447 HB2 0.09 -0.02 -0.14 -0.04 2.15 2.03 3ghgH1 MET 447 HB3 0.09 0.05 0.07 -0.04 2.03 2.20 3ghgH1 MET 447 HG2 0.25 0.32 0.09 -0.04 2.63 3.25 3ghgH1 MET 447 HG3 0.17 -0.03 -0.07 -0.04 2.56 2.59 3ghgH1 MET 447 HE3 0.42 -0.00 -0.03 -0.04 2.10 2.44 3ghgH1 ARG 448 H -0.34 0.17 0.26 -0.55 8.46 8.00 3ghgH1 ARG 448 HA -1.08 0.16 0.75 -0.75 4.34 3.42 3ghgH1 ARG 448 HB2 -2.04 -0.14 -0.05 -0.04 1.90 -0.37 3ghgH1 ARG 448 HB3 -0.67 0.02 -0.15 -0.04 1.80 0.96 3ghgH1 ARG 448 HG2 -0.72 0.08 -0.02 -0.04 1.67 0.98 3ghgH1 ARG 448 HG3 -2.34 -0.02 0.06 -0.04 1.67 -0.67 3ghgH1 ARG 448 HD2 -0.71 -0.01 0.02 -0.04 3.22 2.48 3ghgH1 ARG 448 HD3 -0.83 -0.05 -0.01 -0.04 3.22 2.29 3ghgH1 LYS 449 H -0.15 0.39 0.20 -0.55 8.42 8.30 3ghgH1 LYS 449 HA -0.09 0.34 0.90 -0.75 4.32 4.72 3ghgH1 LYS 449 HB2 -0.12 -0.27 0.11 -0.04 1.87 1.55 3ghgH1 LYS 449 HB3 -0.11 0.07 0.00 -0.04 1.79 1.71 3ghgH1 LYS 449 HG2 -0.22 -0.03 -0.46 -0.04 1.46 0.71 3ghgH1 LYS 449 HG3 -0.14 -0.06 -0.09 -0.04 1.46 1.13 3ghgH1 LYS 449 HD2 -0.11 -0.03 -0.01 -0.04 1.69 1.50 3ghgH1 LYS 449 HD3 -0.13 0.13 0.07 -0.04 1.68 1.71 3ghgH1 LYS 449 HE2 -0.14 0.03 -0.06 -0.04 2.99 2.79 3ghgH1 LYS 449 HE3 -0.10 -0.06 -0.06 -0.04 2.99 2.73 3ghgH1 MET 450 H -0.07 0.58 0.16 -0.55 8.47 8.60 3ghgH1 MET 450 HA -0.10 0.21 0.88 -0.75 4.52 4.76 3ghgH1 MET 450 HB2 -0.02 -0.00 -0.17 -0.04 2.15 1.92 3ghgH1 MET 450 HB3 -0.05 -0.02 0.05 -0.04 2.03 1.97 3ghgH1 MET 450 HG2 -0.06 0.02 -0.04 -0.04 2.63 2.52 3ghgH1 MET 450 HG3 -0.04 0.01 -0.31 -0.04 2.56 2.18 3ghgH1 MET 450 HE3 0.11 -0.02 -0.21 -0.04 2.10 1.94 3ghgH1 SER 451 H -0.13 0.71 0.37 -0.55 8.46 8.86 3ghgH1 SER 451 HA -0.07 0.34 1.13 -0.75 4.49 5.14 3ghgH1 SER 451 HB2 -0.11 0.03 0.12 -0.04 3.95 3.95 3ghgH1 SER 451 HB3 -0.11 0.02 0.01 -0.04 3.93 3.81 3ghgH1 MET 452 H -0.03 0.79 0.53 -0.55 8.47 9.21 3ghgH1 MET 452 HA -0.07 0.24 0.67 -0.75 4.52 4.60 3ghgH1 MET 452 HB2 0.10 -0.09 0.10 -0.04 2.15 2.22 3ghgH1 MET 452 HB3 0.04 0.01 0.09 -0.04 2.03 2.12 3ghgH1 MET 452 HG2 0.12 0.08 -0.02 -0.04 2.63 2.77 3ghgH1 MET 452 HG3 0.16 -0.04 -0.37 -0.04 2.56 2.27 3ghgH1 MET 452 HE3 0.13 0.00 -0.06 -0.04 2.10 2.14 3ghgH1 LYS 453 H -0.04 0.34 0.27 -0.55 8.42 8.44 3ghgH1 LYS 453 HA 0.13 0.21 0.92 -0.75 4.32 4.83 3ghgH1 LYS 453 HB2 0.24 -0.01 -0.22 -0.04 1.87 1.84 3ghgH1 LYS 453 HB3 0.07 -0.02 -0.18 -0.04 1.79 1.63 3ghgH1 LYS 453 HG2 -0.17 -0.13 -0.35 -0.04 1.46 0.77 3ghgH1 LYS 453 HG3 -0.39 0.14 0.03 -0.04 1.46 1.20 3ghgH1 LYS 453 HD2 -0.49 -0.04 -0.15 -0.04 1.69 0.96 3ghgH1 LYS 453 HD3 -0.27 0.01 -0.18 -0.04 1.68 1.19 3ghgH1 LYS 453 HE2 -0.00 0.03 -0.13 -0.04 2.99 2.85 3ghgH1 LYS 453 HE3 -0.13 -0.02 -0.09 -0.04 2.99 2.70 3ghgH1 ILE 454 H 0.32 0.57 0.38 -0.55 8.25 8.97 3ghgH1 ILE 454 HA 0.53 0.24 1.15 -0.75 4.18 5.35 3ghgH1 ILE 454 HB 0.31 0.12 -0.07 -0.04 1.89 2.20 3ghgH1 ILE 454 HG12 0.19 0.02 0.12 -0.04 1.49 1.78 3ghgH1 ILE 454 HG13 0.14 -0.01 -0.13 -0.04 1.21 1.17 3ghgH1 ILE 454 HG23 0.41 -0.04 -0.21 -0.04 0.93 1.05 3ghgH1 ILE 454 HD13 0.14 0.00 -0.07 -0.04 0.88 0.91 3ghgH1 ARG 455 H 0.19 0.90 0.34 -0.55 8.46 9.34 3ghgH1 ARG 455 HA -0.20 0.13 0.92 -0.75 4.34 4.43 3ghgH1 ARG 455 HB2 -1.64 -0.05 -0.23 -0.04 1.90 -0.06 3ghgH1 ARG 455 HB3 -0.95 -0.05 -0.01 -0.04 1.80 0.75 3ghgH1 ARG 455 HG2 -0.35 0.22 -0.23 -0.04 1.67 1.28 3ghgH1 ARG 455 HG3 -0.42 -0.06 0.05 -0.04 1.67 1.20 3ghgH1 ARG 455 HD2 -0.48 -0.02 -0.06 -0.04 3.22 2.62 3ghgH1 ARG 455 HD3 -1.46 0.03 -0.19 -0.04 3.22 1.55 3ghgH1 PRO 456 HA -0.02 0.15 0.50 -0.51 4.44 4.56 3ghgH1 PRO 456 HB2 -0.19 -0.01 -0.03 -0.04 2.28 2.02 3ghgH1 PRO 456 HB3 -0.15 0.03 0.04 -0.04 2.02 1.90 3ghgH1 PRO 456 HG2 -0.09 -0.09 0.06 -0.04 2.03 1.86 3ghgH1 PRO 456 HG3 -0.08 0.09 0.04 -0.04 2.03 2.04 3ghgH1 PRO 456 HD2 -0.15 0.11 0.24 -0.04 3.68 3.84 3ghgH1 PRO 456 HD3 -0.08 0.14 0.20 -0.04 3.65 3.86 3ghgH1 PHE 457 H 0.11 0.57 0.40 -0.55 8.34 8.86 3ghgH1 PHE 457 HA 0.01 0.07 0.06 -0.75 4.62 4.01 3ghgH1 PHE 457 HB2 0.02 0.01 -0.08 -0.04 3.15 3.06 3ghgH1 PHE 457 HB3 -0.02 -0.11 0.18 -0.04 3.06 3.07 3ghgH1 PHE 457 HD2 0.05 -0.05 -0.07 -0.04 7.28 7.17 3ghgH1 PHE 457 HE2 0.05 -0.08 0.00 -0.04 7.38 7.31 3ghgH1 PHE 457 HZ 0.03 -0.07 -0.01 -0.04 7.32 7.24 3ghgH1 PHE 458 H -0.02 0.01 -0.05 -0.55 8.34 7.74 3ghgH1 PHE 458 HA 0.00 -0.00 0.17 -0.75 4.62 4.04 3ghgH1 PHE 458 HB2 -0.17 0.19 -0.40 -0.04 3.15 2.73 3ghgH1 PHE 458 HB3 -0.14 -0.00 0.08 -0.04 3.06 2.96 3ghgH1 PHE 458 HD2 -0.08 0.05 -0.06 -0.04 7.28 7.15 3ghgH1 PHE 458 HE2 -0.06 -0.03 -0.04 -0.04 7.38 7.21 3ghgH1 PHE 458 HZ -0.05 -0.02 -0.03 -0.04 7.32 7.18