============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 96 rings ring int. center anis. iso. PHE 4 1.000 -60.548 -19.407 -7.047 -99.200 -91.000 TRP 10 1.040 -75.083 -28.138 -1.413 -99.200 -91.000 TRP6 10 1.020 -73.993 -29.708 -2.810 -99.200 -91.000 TRP 17 1.040 -79.372 -17.651 0.293 -99.200 -91.000 TRP6 17 1.020 -77.117 -18.345 0.418 -99.200 -91.000 PHE 18 1.000 -77.702 -11.590 1.432 -99.200 -91.000 PHE 22 1.000 -77.546 -7.140 1.862 -99.200 -91.000 PHE 24 1.000 -76.899 -8.539 -2.871 -99.200 -91.000 TYR 31 0.840 -56.635 9.934 -11.846 -99.200 -91.000 TRP 37 1.040 -56.232 15.354 -18.500 -99.200 -91.000 TRP6 37 1.020 -54.742 17.008 -17.702 -99.200 -91.000 TRP 47 1.040 -54.074 9.613 -7.168 -99.200 -91.000 TRP6 47 1.020 -52.680 7.802 -7.782 -99.200 -91.000 HIS 49 0.900 -47.788 17.700 -9.769 -99.200 -91.000 PHE 50 1.000 -47.546 9.409 -8.067 -99.200 -91.000 HIS 52 0.900 -51.148 14.604 -16.491 -99.200 -91.000 TYR 54 0.840 -42.901 12.899 -9.431 -99.200 -91.000 TYR 71 0.840 -67.153 15.563 -18.203 -99.200 -91.000 HIS 72 0.900 -67.114 13.559 -23.047 -99.200 -91.000 TYR 74 0.840 -73.869 10.822 -18.053 -99.200 -91.000 TYR 89 0.840 -72.193 4.171 -10.227 -99.200 -91.000 PHE 91 1.000 -72.217 9.029 -8.027 -99.200 -91.000 TRP 95 1.040 -61.994 19.763 -3.440 -99.200 -91.000 TRP6 95 1.020 -60.979 19.272 -1.358 -99.200 -91.000 TYR 113 0.840 -69.927 13.519 -14.984 -99.200 -91.000 TYR 114 0.840 -69.494 14.667 -10.343 -99.200 -91.000 TYR 129 0.840 -76.087 4.015 -0.237 -99.200 -91.000 TRP 133 1.040 -60.071 13.347 -0.723 -99.200 -91.000 TRP6 133 1.020 -58.875 11.626 0.377 -99.200 -91.000 HIS 134 0.900 -61.980 6.237 -4.082 -99.200 -91.000 TRP 135 1.040 -57.651 7.189 -1.805 -99.200 -91.000 TRP6 135 1.020 -56.762 5.181 -2.676 -99.200 -91.000 TYR 145 0.840 -53.763 24.000 2.009 -99.200 -91.000 PHE 148 1.000 -57.012 15.654 2.766 -99.200 -91.000 TYR 157 0.840 -63.943 16.681 3.169 -99.200 -91.000 PHE 160 1.000 -65.412 18.260 -2.782 -99.200 -91.000 PHE 165 1.000 -72.623 17.610 2.981 -99.200 -91.000 PHE 168 1.000 -73.863 17.437 -6.849 -99.200 -91.000 TRP 175 1.040 -74.503 12.842 1.315 -99.200 -91.000 TRP6 175 1.020 -73.825 14.056 -0.595 -99.200 -91.000 PHE 176 1.000 -70.398 5.279 2.217 -99.200 -91.000 PHE 178 1.000 -62.161 12.912 4.386 -99.200 -91.000 HIS 182 0.900 -54.356 0.892 6.793 -99.200 -91.000 TYR 184 0.840 -54.483 10.378 1.364 -99.200 -91.000 PHE 187 1.000 -50.470 0.944 -0.340 -99.200 -91.000 TYR 189 0.840 -49.211 12.456 2.575 -99.200 -91.000 HIS 194 0.900 -51.859 4.245 -3.997 -99.200 -91.000 TYR 217 0.840 -48.686 7.354 12.476 -99.200 -91.000 HIS 221 0.900 -55.161 14.760 14.820 -99.200 -91.000 HIS 222 0.900 -53.837 18.194 9.239 -99.200 -91.000 HIS 227 0.900 -66.279 11.703 9.426 -99.200 -91.000 PHE 234 1.000 -75.695 15.144 5.744 -99.200 -91.000 TYR 238 0.840 -76.028 22.010 3.741 -99.200 -91.000 HIS 241 0.900 -86.895 17.749 4.108 -99.200 -91.000 PHE 250 1.000 -64.101 3.568 8.874 -99.200 -91.000 TYR 255 0.840 -54.700 -7.758 9.870 -99.200 -91.000 TYR 258 0.840 -46.350 -17.243 11.435 -99.200 -91.000 PHE 262 1.000 -48.731 -14.912 26.038 -99.200 -91.000 TYR 274 0.840 -50.749 1.274 11.813 -99.200 -91.000 TRP 278 1.040 -54.607 5.903 11.733 -99.200 -91.000 TRP6 278 1.020 -52.935 5.464 10.120 -99.200 -91.000 PHE 279 1.000 -57.465 7.054 9.333 -99.200 -91.000 TYR 288 0.840 -55.696 9.148 16.057 -99.200 -91.000 PHE 290 1.000 -53.430 2.466 26.369 -99.200 -91.000 PHE 303 1.000 -58.422 13.122 17.013 -99.200 -91.000 TYR 322 0.840 -62.416 -9.243 3.793 -99.200 -91.000 TYR 323 0.840 -60.866 -4.898 -2.350 -99.200 -91.000 PHE 327 1.000 -52.302 -17.283 8.505 -99.200 -91.000 HIS 330 0.900 -44.824 -10.091 20.214 -99.200 -91.000 PHE 337 1.000 -39.480 -3.442 14.318 -99.200 -91.000 TYR 347 0.840 -42.891 -2.349 18.030 -99.200 -91.000 TYR 367 0.840 -48.867 -7.422 -5.137 -99.200 -91.000 TRP 368 1.040 -53.560 -6.391 -3.781 -99.200 -91.000 TRP6 368 1.020 -55.482 -5.798 -2.541 -99.200 -91.000 TYR 370 0.840 -51.982 -14.477 -0.737 -99.200 -91.000 TYR 372 0.840 -59.174 -16.863 6.229 -99.200 -91.000 TYR 387 0.840 -64.553 -0.712 17.452 -99.200 -91.000 PHE 393 1.000 -75.378 0.505 3.638 -99.200 -91.000 TRP 415 1.040 -63.325 -19.601 -14.319 -99.200 -91.000 TRP6 415 1.020 -62.205 -20.621 -12.504 -99.200 -91.000 TYR 420 0.840 -63.091 -12.217 -3.509 -99.200 -91.000 HIS 424 0.900 -64.952 -12.812 -0.164 -99.200 -91.000 HIS 441 0.900 -70.975 -7.775 -2.027 -99.200 -91.000 PHE 442 1.000 -73.189 -0.379 -1.584 -99.200 -91.000 TRP 444 1.040 -62.796 -1.537 -7.028 -99.200 -91.000 TRP6 444 1.020 -63.344 0.772 -7.053 -99.200 -91.000 PHE 450 1.000 -54.443 4.970 -13.237 -99.200 -91.000 TRP 452 1.040 -56.150 3.701 -6.962 -99.200 -91.000 TRP6 452 1.020 -56.836 5.939 -7.319 -99.200 -91.000 TYR 456 0.840 -56.415 2.452 -17.503 -99.200 -91.000 PHE 460 1.000 -59.278 -4.938 -8.173 -99.200 -91.000 TYR 464 0.840 -62.757 -6.314 -21.733 -99.200 -91.000 TRP 481 1.040 -74.818 -15.704 -10.027 -99.200 -91.000 TRP6 481 1.020 -74.632 -14.354 -8.091 -99.200 -91.000 PHE 482 1.000 -73.743 -9.402 -8.480 -99.200 -91.000 PHE 485 1.000 -78.073 -12.393 -5.658 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dgaA1 GLY 12 HA2 0.07 -0.14 0.15 -0.51 4.01 3.57 2dgaA1 GLY 12 HA3 0.06 -0.01 0.14 -0.51 4.01 3.68 2dgaA1 PRO 13 HA 0.08 -0.06 0.35 -0.51 4.44 4.30 2dgaA1 PRO 13 HB2 0.10 0.06 -0.00 -0.04 2.28 2.40 2dgaA1 PRO 13 HB3 0.06 -0.03 0.10 -0.04 2.02 2.10 2dgaA1 PRO 13 HG2 0.11 0.08 0.06 -0.04 2.03 2.24 2dgaA1 PRO 13 HG3 0.04 -0.01 0.06 -0.04 2.03 2.07 2dgaA1 PRO 13 HD2 0.05 0.10 0.32 -0.04 3.68 4.11 2dgaA1 PRO 13 HD3 0.04 0.01 0.18 -0.04 3.65 3.83 2dgaA1 VAL 14 H 0.09 0.01 0.12 -0.55 8.24 7.91 2dgaA1 VAL 14 HA 0.12 0.10 0.36 -0.75 4.13 3.96 2dgaA1 VAL 14 HB 0.06 -0.04 0.15 -0.04 2.12 2.25 2dgaA1 VAL 14 HG13 0.04 -0.02 -0.11 -0.04 0.97 0.84 2dgaA1 VAL 14 HG23 0.05 0.00 0.09 -0.04 0.95 1.05 2dgaA1 PHE 15 H 0.26 0.16 0.10 -0.55 8.34 8.31 2dgaA1 PHE 15 HA 0.10 0.14 0.91 -0.75 4.62 5.02 2dgaA1 PHE 15 HB2 0.16 0.20 -0.04 -0.04 3.15 3.42 2dgaA1 PHE 15 HB3 0.44 -0.07 0.19 -0.04 3.06 3.58 2dgaA1 PHE 15 HD2 0.19 0.03 -0.15 -0.04 7.28 7.31 2dgaA1 PHE 15 HE2 0.04 -0.03 -0.11 -0.04 7.38 7.25 2dgaA1 PHE 15 HZ 0.08 -0.05 -0.03 -0.04 7.32 7.28 2dgaA1 THR 16 H -0.09 0.14 -0.02 -0.55 8.28 7.76 2dgaA1 THR 16 HA 0.05 0.04 0.50 -0.75 4.39 4.22 2dgaA1 THR 16 HB -0.07 -0.00 0.05 -0.04 4.32 4.26 2dgaA1 THR 16 HG23 -0.03 0.05 -0.06 -0.04 1.22 1.13 2dgaA1 LYS 17 H 0.03 0.10 0.18 -0.55 8.42 8.17 2dgaA1 LYS 17 HA 0.09 0.15 0.80 -0.75 4.32 4.62 2dgaA1 LYS 17 HB2 -0.01 0.01 0.06 -0.04 1.87 1.89 2dgaA1 LYS 17 HB3 0.04 -0.01 0.11 -0.04 1.79 1.88 2dgaA1 LYS 17 HG2 0.44 0.00 -0.07 -0.04 1.46 1.79 2dgaA1 LYS 17 HG3 0.20 0.07 -0.00 -0.04 1.46 1.69 2dgaA1 LYS 17 HD2 0.10 -0.01 0.00 -0.04 1.69 1.75 2dgaA1 LYS 17 HD3 0.06 -0.04 -0.03 -0.04 1.68 1.63 2dgaA1 LYS 17 HE2 -0.18 -0.00 0.02 -0.04 2.99 2.79 2dgaA1 LYS 17 HE3 -0.07 0.05 0.01 -0.04 2.99 2.93 2dgaA1 LEU 18 H -0.04 0.08 0.11 -0.55 8.37 7.97 2dgaA1 LEU 18 HA -0.14 0.02 0.38 -0.75 4.35 3.86 2dgaA1 LEU 18 HB2 -0.13 -0.03 -0.00 -0.04 1.64 1.43 2dgaA1 LEU 18 HB3 -0.17 0.09 -0.09 -0.04 1.64 1.43 2dgaA1 LEU 18 HG -0.07 -0.04 0.04 -0.04 1.64 1.52 2dgaA1 LEU 18 HD13 -0.11 0.04 -0.15 -0.04 0.93 0.67 2dgaA1 LEU 18 HD23 -0.08 0.00 -0.00 -0.04 0.89 0.77 2dgaA1 LYS 19 H -0.39 0.07 0.14 -0.55 8.42 7.68 2dgaA1 LYS 19 HA -0.40 0.17 0.55 -0.75 4.32 3.89 2dgaA1 LYS 19 HB2 -1.43 -0.04 0.08 -0.04 1.87 0.44 2dgaA1 LYS 19 HB3 -2.26 -0.02 0.07 -0.04 1.79 -0.46 2dgaA1 LYS 19 HG2 -0.35 0.01 0.04 -0.04 1.46 1.13 2dgaA1 LYS 19 HG3 -0.45 0.00 0.03 -0.04 1.46 1.00 2dgaA1 LYS 19 HD2 -0.20 -0.01 0.05 -0.04 1.69 1.48 2dgaA1 LYS 19 HD3 -0.23 0.08 -0.01 -0.04 1.68 1.48 2dgaA1 LYS 19 HE2 -0.01 -0.00 -0.00 -0.04 2.99 2.94 2dgaA1 LYS 19 HE3 -0.05 0.02 -0.01 -0.04 2.99 2.90 2dgaA1 PRO 20 HA -0.07 0.12 0.37 -0.51 4.44 4.35 2dgaA1 PRO 20 HB2 0.17 0.07 -0.00 -0.04 2.28 2.47 2dgaA1 PRO 20 HB3 0.04 0.05 0.12 -0.04 2.02 2.19 2dgaA1 PRO 20 HG2 0.48 -0.02 0.09 -0.04 2.03 2.53 2dgaA1 PRO 20 HG3 0.18 0.06 0.08 -0.04 2.03 2.31 2dgaA1 PRO 20 HD2 -0.39 0.06 0.23 -0.04 3.68 3.54 2dgaA1 PRO 20 HD3 -0.11 0.18 0.19 -0.04 3.65 3.87 2dgaA1 TRP 21 H -0.17 0.07 -0.26 -0.55 7.97 7.06 2dgaA1 TRP 21 HA 0.09 0.19 0.55 -0.75 4.62 4.70 2dgaA1 TRP 21 HB2 0.07 0.05 0.12 -0.04 3.23 3.43 2dgaA1 TRP 21 HB3 0.05 -0.02 0.04 -0.04 3.23 3.27 2dgaA1 TRP 21 HD1 0.05 0.05 -0.17 -0.04 7.22 7.11 2dgaA1 TRP 21 HE1 0.02 0.01 -0.06 -0.04 10.20 10.12 2dgaA1 TRP 21 HE3 0.03 -0.01 0.01 -0.04 7.59 7.58 2dgaA1 TRP 21 HZ2 0.01 0.01 -0.01 -0.04 7.44 7.41 2dgaA1 TRP 21 HZ3 0.01 0.02 0.02 -0.04 7.13 7.14 2dgaA1 TRP 21 HH2 0.01 0.01 0.01 -0.04 7.19 7.18 2dgaA1 GLN 22 H -0.30 0.49 -0.47 -0.55 8.47 7.65 2dgaA1 GLN 22 HA 0.20 0.20 0.79 -0.75 4.36 4.80 2dgaA1 GLN 22 HB2 -0.24 0.02 0.04 -0.04 2.15 1.92 2dgaA1 GLN 22 HB3 -0.03 -0.01 0.12 -0.04 2.02 2.06 2dgaA1 GLN 22 HG2 -0.10 0.08 -0.11 -0.04 2.40 2.23 2dgaA1 GLN 22 HG3 -1.03 -0.13 -0.19 -0.04 2.39 1.00 2dgaA1 GLN 22 HE21 -0.04 -0.00 -0.01 -0.04 6.97 6.88 2dgaA1 GLN 22 HE22 0.06 0.04 -0.03 -0.04 7.69 7.72 2dgaA1 ILE 23 H 0.01 0.24 -0.23 -0.55 8.25 7.72 2dgaA1 ILE 23 HA -0.13 0.06 0.54 -0.75 4.18 3.90 2dgaA1 ILE 23 HB 0.02 0.07 0.10 -0.04 1.89 2.05 2dgaA1 ILE 23 HG12 -0.16 -0.05 -0.09 -0.04 1.49 1.14 2dgaA1 ILE 23 HG13 -0.10 0.02 -0.10 -0.04 1.21 0.99 2dgaA1 ILE 23 HG23 0.02 0.04 -0.08 -0.04 0.93 0.87 2dgaA1 ILE 23 HD13 -0.06 -0.01 -0.04 -0.04 0.88 0.73 2dgaA1 PRO 24 HA -2.84 0.03 0.38 -0.51 4.44 1.50 2dgaA1 PRO 24 HB2 -0.06 -0.01 -0.05 -0.04 2.28 2.12 2dgaA1 PRO 24 HB3 -0.30 0.04 -0.00 -0.04 2.02 1.72 2dgaA1 PRO 24 HG2 -0.11 0.04 0.17 -0.04 2.03 2.09 2dgaA1 PRO 24 HG3 -0.14 0.04 0.08 -0.04 2.03 1.98 2dgaA1 PRO 24 HD2 -0.27 0.01 0.20 -0.04 3.68 3.59 2dgaA1 PRO 24 HD3 -0.18 0.17 0.29 -0.04 3.65 3.89 2dgaA1 LYS 25 H -1.91 0.18 0.20 -0.55 8.42 6.33 2dgaA1 LYS 25 HA -0.16 0.22 0.81 -0.75 4.32 4.43 2dgaA1 LYS 25 HB2 -0.16 -0.05 0.05 -0.04 1.87 1.66 2dgaA1 LYS 25 HB3 -0.12 -0.03 0.11 -0.04 1.79 1.70 2dgaA1 LYS 25 HG2 -0.05 0.08 -0.06 -0.04 1.46 1.38 2dgaA1 LYS 25 HG3 -0.15 0.12 -0.20 -0.04 1.46 1.20 2dgaA1 LYS 25 HD2 0.13 0.02 -0.03 -0.04 1.69 1.77 2dgaA1 LYS 25 HD3 0.23 -0.03 -0.03 -0.04 1.68 1.81 2dgaA1 LYS 25 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 2dgaA1 LYS 25 HE3 0.01 0.04 0.01 -0.04 2.99 3.00 2dgaA1 ARG 26 H -0.79 0.31 0.18 -0.55 8.46 7.62 2dgaA1 ARG 26 HA -0.48 0.05 0.38 -0.75 4.34 3.54 2dgaA1 ARG 26 HB2 -1.19 0.20 0.13 -0.04 1.90 1.00 2dgaA1 ARG 26 HB3 -0.42 -0.03 0.16 -0.04 1.80 1.46 2dgaA1 ARG 26 HG2 -0.15 0.08 -0.00 -0.04 1.67 1.55 2dgaA1 ARG 26 HG3 -0.02 -0.01 -0.20 -0.04 1.67 1.40 2dgaA1 ARG 26 HD2 0.23 -0.10 0.08 -0.04 3.22 3.38 2dgaA1 ARG 26 HD3 -0.15 0.00 -0.01 -0.04 3.22 3.02 2dgaA1 ASP 27 H -0.07 0.03 -0.25 -0.55 8.40 7.56 2dgaA1 ASP 27 HA 0.09 0.18 0.36 -0.75 4.63 4.50 2dgaA1 ASP 27 HB2 0.12 -0.06 -0.02 -0.04 2.71 2.70 2dgaA1 ASP 27 HB3 0.11 0.01 0.00 -0.04 2.70 2.79 2dgaA1 TRP 28 H 0.30 0.43 -0.57 -0.55 7.97 7.58 2dgaA1 TRP 28 HA -0.18 0.01 0.44 -0.75 4.62 4.14 2dgaA1 TRP 28 HB2 -0.21 0.19 0.09 -0.04 3.23 3.25 2dgaA1 TRP 28 HB3 -0.70 -0.05 0.03 -0.04 3.23 2.47 2dgaA1 TRP 28 HD1 -0.02 -0.05 -0.15 -0.04 7.22 6.96 2dgaA1 TRP 28 HE1 0.04 0.03 -0.04 -0.04 10.20 10.19 2dgaA1 TRP 28 HE3 -0.06 0.03 -0.01 -0.04 7.59 7.50 2dgaA1 TRP 28 HZ2 0.06 0.09 -0.22 -0.04 7.44 7.33 2dgaA1 TRP 28 HZ3 0.03 -0.06 0.01 -0.04 7.13 7.07 2dgaA1 TRP 28 HH2 0.02 0.11 -0.22 -0.04 7.19 7.06 2dgaA1 PHE 29 H 0.31 0.51 -0.23 -0.55 8.34 8.37 2dgaA1 PHE 29 HA -0.01 0.10 0.87 -0.75 4.62 4.84 2dgaA1 PHE 29 HB2 0.09 0.14 0.02 -0.04 3.15 3.36 2dgaA1 PHE 29 HB3 -0.37 -0.06 0.04 -0.04 3.06 2.63 2dgaA1 PHE 29 HD2 -0.28 0.09 -0.05 -0.04 7.28 7.01 2dgaA1 PHE 29 HE2 0.12 -0.05 -0.16 -0.04 7.38 7.25 2dgaA1 PHE 29 HZ 0.23 0.15 -0.05 -0.04 7.32 7.61 2dgaA1 ASP 30 H 0.20 0.07 0.12 -0.55 8.40 8.25 2dgaA1 ASP 30 HA 0.13 0.17 0.47 -0.75 4.63 4.64 2dgaA1 ASP 30 HB2 0.11 -0.09 0.18 -0.04 2.71 2.87 2dgaA1 ASP 30 HB3 0.10 0.07 0.12 -0.04 2.70 2.95 2dgaA1 LYS 31 H 0.11 0.09 0.17 -0.55 8.42 8.24 2dgaA1 LYS 31 HA 0.14 0.17 0.39 -0.75 4.32 4.27 2dgaA1 LYS 31 HB2 0.08 -0.01 0.15 -0.04 1.87 2.05 2dgaA1 LYS 31 HB3 0.09 -0.06 0.10 -0.04 1.79 1.88 2dgaA1 LYS 31 HG2 0.07 -0.05 0.02 -0.04 1.46 1.45 2dgaA1 LYS 31 HG3 0.09 0.04 -0.12 -0.04 1.46 1.43 2dgaA1 LYS 31 HD2 0.10 0.10 0.17 -0.04 1.69 2.01 2dgaA1 LYS 31 HD3 0.07 -0.04 0.06 -0.04 1.68 1.73 2dgaA1 LYS 31 HE2 0.07 0.03 0.04 -0.04 2.99 3.09 2dgaA1 LYS 31 HE3 0.06 0.04 0.04 -0.04 2.99 3.10 2dgaA1 ASP 32 H 0.15 -0.06 -0.32 -0.55 8.40 7.62 2dgaA1 ASP 32 HA 0.13 0.19 0.61 -0.75 4.63 4.80 2dgaA1 ASP 32 HB2 0.13 -0.03 -0.02 -0.04 2.71 2.74 2dgaA1 ASP 32 HB3 0.11 0.03 0.05 -0.04 2.70 2.85 2dgaA1 PHE 33 H 0.33 0.20 -0.29 -0.55 8.34 8.03 2dgaA1 PHE 33 HA 0.03 0.15 0.41 -0.75 4.62 4.45 2dgaA1 PHE 33 HB2 0.18 -0.14 0.05 -0.04 3.15 3.20 2dgaA1 PHE 33 HB3 0.17 0.10 -0.08 -0.04 3.06 3.21 2dgaA1 PHE 33 HD2 -0.26 0.05 -0.21 -0.04 7.28 6.82 2dgaA1 PHE 33 HE2 -0.95 0.00 -0.28 -0.04 7.38 6.12 2dgaA1 PHE 33 HZ -0.35 -0.04 -0.34 -0.04 7.32 6.55 2dgaA1 LEU 34 H -0.79 0.41 0.35 -0.55 8.37 7.79 2dgaA1 LEU 34 HA 0.11 0.25 1.08 -0.75 4.35 5.02 2dgaA1 LEU 34 HB2 0.09 -0.09 0.09 -0.04 1.64 1.70 2dgaA1 LEU 34 HB3 0.09 -0.06 -0.14 -0.04 1.64 1.49 2dgaA1 LEU 34 HG 0.10 0.28 -0.19 -0.04 1.64 1.78 2dgaA1 LEU 34 HD13 0.23 -0.04 -0.10 -0.04 0.93 0.99 2dgaA1 LEU 34 HD23 0.11 0.03 -0.07 -0.04 0.89 0.91 2dgaA1 PHE 35 H 0.34 0.28 0.21 -0.55 8.34 8.61 2dgaA1 PHE 35 HA 0.29 0.19 0.96 -0.75 4.62 5.30 2dgaA1 PHE 35 HB2 0.26 0.07 0.18 -0.04 3.15 3.61 2dgaA1 PHE 35 HB3 0.24 0.02 0.06 -0.04 3.06 3.33 2dgaA1 PHE 35 HD2 0.39 0.07 -0.01 -0.04 7.28 7.69 2dgaA1 PHE 35 HE2 0.04 0.01 -0.07 -0.04 7.38 7.31 2dgaA1 PHE 35 HZ -0.60 -0.02 -0.10 -0.04 7.32 6.56 2dgaA1 GLY 36 H 0.39 0.62 0.44 -0.55 8.43 9.32 2dgaA1 GLY 36 HA2 -0.02 0.10 0.73 -0.51 4.01 4.31 2dgaA1 GLY 36 HA3 -0.23 0.03 0.36 -0.51 4.01 3.65 2dgaA1 ALA 37 H -0.10 0.49 0.34 -0.55 8.40 8.58 2dgaA1 ALA 37 HA 0.03 0.18 0.78 -0.75 4.34 4.57 2dgaA1 ALA 37 HB3 -0.10 -0.00 0.02 -0.04 1.41 1.28 2dgaA1 SER 38 H -0.04 0.46 0.26 -0.55 8.46 8.59 2dgaA1 SER 38 HA 0.06 0.42 1.19 -0.75 4.49 5.40 2dgaA1 SER 38 HB2 0.43 -0.16 -0.02 -0.04 3.95 4.15 2dgaA1 SER 38 HB3 0.29 0.02 0.07 -0.04 3.93 4.26 2dgaA1 THR 39 H 0.04 0.73 0.41 -0.55 8.28 8.91 2dgaA1 THR 39 HA -0.69 0.06 0.61 -0.75 4.39 3.61 2dgaA1 THR 39 HB -0.06 -0.08 0.10 -0.04 4.32 4.24 2dgaA1 THR 39 HG23 -0.07 0.01 -0.19 -0.04 1.22 0.93 2dgaA1 SER 40 H 0.04 0.26 0.17 -0.55 8.46 8.38 2dgaA1 SER 40 HA -0.08 0.17 0.71 -0.75 4.49 4.54 2dgaA1 SER 40 HB2 -1.07 0.02 0.10 -0.04 3.95 2.96 2dgaA1 SER 40 HB3 -0.73 0.12 -0.15 -0.04 3.93 3.13 2dgaA1 ALA 41 H 0.04 0.20 0.07 -0.55 8.40 8.16 2dgaA1 ALA 41 HA 0.14 0.13 0.36 -0.75 4.34 4.21 2dgaA1 ALA 41 HB3 0.22 0.07 -0.05 -0.04 1.41 1.61 2dgaA1 TYR 42 H 0.16 0.13 -0.03 -0.55 8.29 8.00 2dgaA1 TYR 42 HA 0.02 0.14 0.42 -0.75 4.56 4.38 2dgaA1 TYR 42 HB2 0.13 -0.04 0.09 -0.04 3.06 3.20 2dgaA1 TYR 42 HB3 -0.04 0.05 0.02 -0.04 2.98 2.97 2dgaA1 TYR 42 HD2 -0.15 0.05 -0.08 -0.04 7.15 6.92 2dgaA1 TYR 42 HE2 -0.15 0.05 -0.09 -0.04 6.85 6.62 2dgaA1 GLN 43 H -0.17 0.08 -0.38 -0.55 8.47 7.45 2dgaA1 GLN 43 HA -0.35 0.10 0.57 -0.75 4.36 3.93 2dgaA1 GLN 43 HB2 -0.14 -0.01 0.10 -0.04 2.15 2.06 2dgaA1 GLN 43 HB3 -0.19 -0.02 0.09 -0.04 2.02 1.86 2dgaA1 GLN 43 HG2 -1.28 0.26 0.11 -0.04 2.40 1.45 2dgaA1 GLN 43 HG3 -0.99 -0.15 -0.01 -0.04 2.39 1.19 2dgaA1 GLN 43 HE21 -0.29 -0.01 -0.09 -0.04 6.97 6.54 2dgaA1 GLN 43 HE22 -0.87 0.38 0.04 -0.04 7.69 7.19 2dgaA1 ILE 44 H -0.08 0.24 -0.17 -0.55 8.25 7.70 2dgaA1 ILE 44 HA -0.04 0.12 1.16 -0.75 4.18 4.67 2dgaA1 ILE 44 HB -0.01 0.03 0.01 -0.04 1.89 1.89 2dgaA1 ILE 44 HG12 0.02 0.14 -0.02 -0.04 1.49 1.59 2dgaA1 ILE 44 HG13 0.06 0.04 -0.21 -0.04 1.21 1.05 2dgaA1 ILE 44 HG23 -0.07 0.01 -0.17 -0.04 0.93 0.65 2dgaA1 ILE 44 HD13 0.09 0.01 -0.14 -0.04 0.88 0.80 2dgaA1 GLU 45 H -0.01 0.51 0.18 -0.55 8.60 8.73 2dgaA1 GLU 45 HA 0.05 -0.10 0.36 -0.75 4.29 3.84 2dgaA1 GLU 45 HB2 0.03 0.10 0.14 -0.04 2.09 2.32 2dgaA1 GLU 45 HB3 -0.02 0.11 -0.11 -0.04 1.99 1.93 2dgaA1 GLU 45 HG2 0.18 0.02 -0.10 -0.04 2.34 2.40 2dgaA1 GLU 45 HG3 0.15 -0.07 0.09 -0.04 2.34 2.47 2dgaA1 GLY 46 H -0.09 0.10 -0.15 -0.55 8.43 7.75 2dgaA1 GLY 46 HA2 -0.01 0.13 -0.20 -0.51 4.01 3.42 2dgaA1 GLY 46 HA3 0.02 0.18 0.59 -0.51 4.01 4.28 2dgaA1 ALA 47 H 0.07 0.16 0.29 -0.55 8.40 8.37 2dgaA1 ALA 47 HA -0.06 -0.02 0.37 -0.75 4.34 3.88 2dgaA1 ALA 47 HB3 -0.42 0.03 -0.00 -0.04 1.41 0.97 2dgaA1 TRP 48 H 0.34 0.26 -0.19 -0.55 7.97 7.83 2dgaA1 TRP 48 HA -0.03 0.11 0.24 -0.75 4.62 4.19 2dgaA1 TRP 48 HB2 0.11 -0.09 0.00 -0.04 3.23 3.21 2dgaA1 TRP 48 HB3 0.02 0.06 0.00 -0.04 3.23 3.27 2dgaA1 TRP 48 HD1 0.02 0.12 0.09 -0.04 7.22 7.40 2dgaA1 TRP 48 HE1 0.02 0.04 -0.05 -0.04 10.20 10.17 2dgaA1 TRP 48 HE3 0.14 -0.09 -0.16 -0.04 7.59 7.45 2dgaA1 TRP 48 HZ2 -0.05 0.04 -0.06 -0.04 7.44 7.33 2dgaA1 TRP 48 HZ3 0.17 -0.03 -0.09 -0.04 7.13 7.15 2dgaA1 TRP 48 HH2 0.03 0.04 -0.06 -0.04 7.19 7.17 2dgaA1 ASN 49 H -0.82 -0.01 -0.37 -0.55 8.53 6.78 2dgaA1 ASN 49 HA -0.59 0.39 0.72 -0.75 4.76 4.52 2dgaA1 ASN 49 HB2 -0.86 0.04 0.11 -0.04 2.88 2.14 2dgaA1 ASN 49 HB3 -2.84 -0.02 -0.15 -0.04 2.79 -0.26 2dgaA1 ASN 49 HD21 -0.20 -0.00 -0.06 -0.04 7.03 6.73 2dgaA1 ASN 49 HD22 -0.46 0.04 -0.03 -0.04 7.74 7.24 2dgaA1 GLU 50 H -0.37 0.39 -0.22 -0.55 8.60 7.84 2dgaA1 GLU 50 HA -0.20 0.15 0.79 -0.75 4.29 4.28 2dgaA1 GLU 50 HB2 -0.20 -0.14 0.05 -0.04 2.09 1.75 2dgaA1 GLU 50 HB3 -0.41 0.11 0.03 -0.04 1.99 1.69 2dgaA1 GLU 50 HG2 -0.01 0.00 0.04 -0.04 2.34 2.33 2dgaA1 GLU 50 HG3 -0.04 0.01 0.07 -0.04 2.34 2.34 2dgaA1 ASP 51 H -0.08 0.14 0.16 -0.55 8.40 8.07 2dgaA1 ASP 51 HA -0.03 0.03 0.36 -0.75 4.63 4.24 2dgaA1 ASP 51 HB2 -0.02 0.12 -0.13 -0.04 2.71 2.64 2dgaA1 ASP 51 HB3 0.04 -0.03 0.18 -0.04 2.70 2.85 2dgaA1 GLY 52 H -0.09 0.11 -0.25 -0.55 8.43 7.66 2dgaA1 GLY 52 HA2 -0.05 0.00 0.23 -0.51 4.01 3.68 2dgaA1 GLY 52 HA3 -0.02 0.04 0.44 -0.51 4.01 3.96 2dgaA1 LYS 53 H -0.13 0.39 -0.48 -0.55 8.42 7.65 2dgaA1 LYS 53 HA -0.01 0.08 0.50 -0.75 4.32 4.14 2dgaA1 LYS 53 HB2 -0.12 -0.01 0.06 -0.04 1.87 1.76 2dgaA1 LYS 53 HB3 -0.17 -0.08 -0.10 -0.04 1.79 1.40 2dgaA1 LYS 53 HG2 0.02 0.26 -0.36 -0.04 1.46 1.34 2dgaA1 LYS 53 HG3 0.04 -0.13 -0.37 -0.04 1.46 0.96 2dgaA1 LYS 53 HD2 -0.04 -0.08 -0.05 -0.04 1.69 1.48 2dgaA1 LYS 53 HD3 -0.05 0.08 -0.06 -0.04 1.68 1.62 2dgaA1 LYS 53 HE2 0.16 -0.23 -0.12 -0.04 2.99 2.75 2dgaA1 LYS 53 HE3 0.17 -0.10 -0.06 -0.04 2.99 2.96 2dgaA1 GLY 54 H 0.02 0.52 0.31 -0.55 8.43 8.74 2dgaA1 GLY 54 HA2 -0.00 0.13 0.72 -0.51 4.01 4.35 2dgaA1 GLY 54 HA3 0.01 0.10 0.50 -0.51 4.01 4.11 2dgaA1 PRO 55 HA 0.30 0.08 0.60 -0.51 4.44 4.92 2dgaA1 PRO 55 HB2 0.23 -0.01 0.02 -0.04 2.28 2.49 2dgaA1 PRO 55 HB3 0.40 0.09 0.08 -0.04 2.02 2.55 2dgaA1 PRO 55 HG2 0.08 -0.14 0.14 -0.04 2.03 2.06 2dgaA1 PRO 55 HG3 0.14 0.10 0.07 -0.04 2.03 2.29 2dgaA1 PRO 55 HD2 0.04 0.14 0.29 -0.04 3.68 4.11 2dgaA1 PRO 55 HD3 0.08 0.20 0.21 -0.04 3.65 4.10 2dgaA1 SER 56 H 0.21 0.08 0.24 -0.55 8.46 8.45 2dgaA1 SER 56 HA 0.06 0.16 0.92 -0.75 4.49 4.87 2dgaA1 SER 56 HB2 0.17 0.08 -0.05 -0.04 3.95 4.11 2dgaA1 SER 56 HB3 0.18 0.11 0.03 -0.04 3.93 4.21 2dgaA1 THR 57 H 0.10 0.75 0.23 -0.55 8.28 8.81 2dgaA1 THR 57 HA 0.02 0.11 0.43 -0.75 4.39 4.19 2dgaA1 THR 57 HB -0.10 0.01 -0.02 -0.04 4.32 4.17 2dgaA1 THR 57 HG23 0.05 0.06 -0.10 -0.04 1.22 1.20 2dgaA1 TRP 58 H 0.16 0.06 -0.21 -0.55 7.97 7.43 2dgaA1 TRP 58 HA 0.00 0.16 0.59 -0.75 4.62 4.62 2dgaA1 TRP 58 HB2 -0.56 -0.05 0.06 -0.04 3.23 2.64 2dgaA1 TRP 58 HB3 -1.18 0.03 -0.05 -0.04 3.23 2.00 2dgaA1 TRP 58 HD1 0.01 0.13 -0.02 -0.04 7.22 7.29 2dgaA1 TRP 58 HE1 -0.21 0.10 0.03 -0.04 10.20 10.08 2dgaA1 TRP 58 HE3 0.37 -0.02 0.01 -0.04 7.59 7.90 2dgaA1 TRP 58 HZ2 -0.75 0.06 0.05 -0.04 7.44 6.76 2dgaA1 TRP 58 HZ3 0.60 0.13 -0.12 -0.04 7.13 7.70 2dgaA1 TRP 58 HH2 -0.03 0.11 0.05 -0.04 7.19 7.27 2dgaA1 ASP 59 H 0.05 0.01 -0.21 -0.55 8.40 7.71 2dgaA1 ASP 59 HA -0.26 0.03 0.38 -0.75 4.63 4.03 2dgaA1 ASP 59 HB2 0.15 0.05 0.20 -0.04 2.71 3.08 2dgaA1 ASP 59 HB3 -0.05 0.12 -0.02 -0.04 2.70 2.71 2dgaA1 HIS 60 H 0.10 0.45 -0.16 -0.55 8.41 8.25 2dgaA1 HIS 60 HA -0.03 0.08 0.31 -0.75 4.63 4.23 2dgaA1 HIS 60 HB2 0.02 -0.01 0.04 -0.04 3.26 3.27 2dgaA1 HIS 60 HB3 -0.00 0.03 0.09 -0.04 3.20 3.27 2dgaA1 HIS 60 HD2 0.02 -0.01 -0.04 -0.04 6.97 6.89 2dgaA1 HIS 60 HE1 0.02 0.06 -0.07 -0.04 7.75 7.71 2dgaA1 PHE 61 H 0.11 0.44 -0.19 -0.55 8.34 8.15 2dgaA1 PHE 61 HA 0.03 0.10 0.35 -0.75 4.62 4.34 2dgaA1 PHE 61 HB2 -0.34 0.04 0.14 -0.04 3.15 2.96 2dgaA1 PHE 61 HB3 -0.41 -0.07 0.16 -0.04 3.06 2.70 2dgaA1 PHE 61 HD2 -0.22 0.01 -0.14 -0.04 7.28 6.89 2dgaA1 PHE 61 HE2 -0.13 0.07 -0.11 -0.04 7.38 7.17 2dgaA1 PHE 61 HZ -0.11 0.13 -0.13 -0.04 7.32 7.16 2dgaA1 CYS 62 H 0.01 0.47 -0.19 -0.55 8.50 8.25 2dgaA1 CYS 62 HA -0.11 0.11 0.28 -0.75 4.58 4.11 2dgaA1 CYS 62 HB2 -0.15 0.06 0.14 -0.04 2.97 2.98 2dgaA1 CYS 62 HB3 -0.00 -0.02 -0.04 -0.04 2.97 2.88 2dgaA1 HIS 63 H -0.29 0.47 -0.22 -0.55 8.41 7.83 2dgaA1 HIS 63 HA -0.20 0.05 0.44 -0.75 4.63 4.17 2dgaA1 HIS 63 HB2 -0.25 0.04 0.06 -0.04 3.26 3.07 2dgaA1 HIS 63 HB3 -0.22 -0.02 0.02 -0.04 3.20 2.94 2dgaA1 HIS 63 HD2 -0.28 0.02 -0.18 -0.04 6.97 6.48 2dgaA1 HIS 63 HE1 -3.20 -0.05 -0.07 -0.04 7.75 4.38 2dgaA1 THR 64 H -0.36 0.35 -0.30 -0.55 8.28 7.42 2dgaA1 THR 64 HA -0.39 0.13 0.82 -0.75 4.39 4.19 2dgaA1 THR 64 HB -0.90 -0.04 0.04 -0.04 4.32 3.37 2dgaA1 THR 64 HG23 -0.87 0.02 -0.02 -0.04 1.22 0.30 2dgaA1 TYR 65 H -0.40 0.56 -0.08 -0.55 8.29 7.82 2dgaA1 TYR 65 HA -0.17 0.16 0.84 -0.75 4.56 4.64 2dgaA1 TYR 65 HB2 -0.74 0.02 0.19 -0.04 3.06 2.49 2dgaA1 TYR 65 HB3 -0.27 -0.06 0.14 -0.04 2.98 2.75 2dgaA1 TYR 65 HD2 -0.21 -0.00 0.02 -0.04 7.15 6.91 2dgaA1 TYR 65 HE2 0.03 -0.00 -0.04 -0.04 6.85 6.80 2dgaA1 PRO 66 HA -0.04 0.06 0.47 -0.51 4.44 4.42 2dgaA1 PRO 66 HB2 -0.01 -0.02 -0.01 -0.04 2.28 2.20 2dgaA1 PRO 66 HB3 -0.03 0.11 0.10 -0.04 2.02 2.16 2dgaA1 PRO 66 HG2 -0.04 -0.06 0.01 -0.04 2.03 1.91 2dgaA1 PRO 66 HG3 -0.06 0.05 -0.01 -0.04 2.03 1.97 2dgaA1 PRO 66 HD2 -0.11 0.20 -0.22 -0.04 3.68 3.51 2dgaA1 PRO 66 HD3 -0.14 0.20 -0.46 -0.04 3.65 3.21 2dgaA1 GLU 67 H -0.02 0.13 -0.35 -0.55 8.60 7.81 2dgaA1 GLU 67 HA 0.01 0.09 0.36 -0.75 4.29 4.00 2dgaA1 GLU 67 HB2 0.00 0.01 0.06 -0.04 2.09 2.12 2dgaA1 GLU 67 HB3 -0.00 -0.01 0.05 -0.04 1.99 1.99 2dgaA1 GLU 67 HG2 -0.01 0.07 -0.27 -0.04 2.34 2.08 2dgaA1 GLU 67 HG3 0.00 0.01 -0.09 -0.04 2.34 2.22 2dgaA1 ARG 68 H -0.07 0.51 -0.47 -0.55 8.46 7.88 2dgaA1 ARG 68 HA 0.02 0.10 0.52 -0.75 4.34 4.22 2dgaA1 ARG 68 HB2 -0.35 0.12 0.05 -0.04 1.90 1.68 2dgaA1 ARG 68 HB3 0.12 -0.03 0.14 -0.04 1.80 1.98 2dgaA1 ARG 68 HG2 -0.11 -0.03 -0.01 -0.04 1.67 1.47 2dgaA1 ARG 68 HG3 -0.20 -0.05 0.04 -0.04 1.67 1.42 2dgaA1 ARG 68 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.17 2dgaA1 ARG 68 HD3 -0.01 0.05 -0.14 -0.04 3.22 3.08 2dgaA1 ILE 69 H 0.06 0.49 -0.34 -0.55 8.25 7.91 2dgaA1 ILE 69 HA 0.19 0.15 0.93 -0.75 4.18 4.70 2dgaA1 ILE 69 HB 0.17 0.07 0.19 -0.04 1.89 2.28 2dgaA1 ILE 69 HG12 0.50 0.02 0.04 -0.04 1.49 2.01 2dgaA1 ILE 69 HG13 0.48 -0.03 -0.12 -0.04 1.21 1.50 2dgaA1 ILE 69 HG23 0.23 -0.05 -0.12 -0.04 0.93 0.95 2dgaA1 ILE 69 HD13 0.08 -0.05 -0.09 -0.04 0.88 0.77 2dgaA1 SER 70 H 0.09 0.80 0.25 -0.55 8.46 9.05 2dgaA1 SER 70 HA 0.05 0.11 0.34 -0.75 4.49 4.25 2dgaA1 SER 70 HB2 0.06 -0.15 0.14 -0.04 3.95 3.97 2dgaA1 SER 70 HB3 0.05 -0.00 0.01 -0.04 3.93 3.95 2dgaA1 ASP 71 H 0.08 -0.03 -0.31 -0.55 8.40 7.59 2dgaA1 ASP 71 HA 0.06 0.29 0.86 -0.75 4.63 5.09 2dgaA1 ASP 71 HB2 0.09 0.05 0.14 -0.04 2.71 2.95 2dgaA1 ASP 71 HB3 0.07 0.04 0.01 -0.04 2.70 2.78 2dgaA1 MET 72 H 0.09 0.61 -0.31 -0.55 8.47 8.32 2dgaA1 MET 72 HA 0.08 0.23 0.32 -0.75 4.52 4.39 2dgaA1 MET 72 HB2 0.05 0.00 -0.29 -0.04 2.15 1.87 2dgaA1 MET 72 HB3 0.05 0.05 0.12 -0.04 2.03 2.21 2dgaA1 MET 72 HG2 0.02 -0.04 0.00 -0.04 2.63 2.58 2dgaA1 MET 72 HG3 0.03 -0.04 0.08 -0.04 2.56 2.59 2dgaA1 MET 72 HE3 0.02 -0.01 -0.04 -0.04 2.10 2.03 2dgaA1 THR 73 H 0.19 -0.07 -0.26 -0.55 8.28 7.60 2dgaA1 THR 73 HA 0.15 0.26 0.90 -0.75 4.39 4.95 2dgaA1 THR 73 HB 0.49 -0.05 0.16 -0.04 4.32 4.88 2dgaA1 THR 73 HG23 0.24 0.07 -0.13 -0.04 1.22 1.35 2dgaA1 ASN 74 H 0.15 0.23 0.21 -0.55 8.53 8.59 2dgaA1 ASN 74 HA -0.42 0.16 0.49 -0.75 4.76 4.23 2dgaA1 ASN 74 HB2 -0.11 -0.12 0.13 -0.04 2.88 2.73 2dgaA1 ASN 74 HB3 0.02 0.29 -0.16 -0.04 2.79 2.90 2dgaA1 ASN 74 HD21 -0.03 0.02 -0.09 -0.04 7.03 6.90 2dgaA1 ASN 74 HD22 0.04 0.17 -0.19 -0.04 7.74 7.73 2dgaA1 GLY 75 H -0.41 0.22 0.06 -0.55 8.43 7.75 2dgaA1 GLY 75 HA2 -0.52 0.13 0.64 -0.51 4.01 3.75 2dgaA1 GLY 75 HA3 -1.27 0.14 0.35 -0.51 4.01 2.71 2dgaA1 ASP 76 H -0.17 0.15 -0.41 -0.55 8.40 7.43 2dgaA1 ASP 76 HA -0.04 0.03 0.33 -0.75 4.63 4.20 2dgaA1 ASP 76 HB2 -0.04 0.01 0.04 -0.04 2.71 2.68 2dgaA1 ASP 76 HB3 0.11 0.05 -0.05 -0.04 2.70 2.77 2dgaA1 VAL 77 H -0.03 0.03 -0.15 -0.55 8.24 7.53 2dgaA1 VAL 77 HA 0.05 0.05 1.02 -0.75 4.13 4.50 2dgaA1 VAL 77 HB 0.03 0.01 -0.04 -0.04 2.12 2.07 2dgaA1 VAL 77 HG13 -0.06 0.04 0.02 -0.04 0.97 0.92 2dgaA1 VAL 77 HG23 -0.01 0.04 -0.16 -0.04 0.95 0.78 2dgaA1 ALA 78 H -0.04 -0.00 0.04 -0.55 8.40 7.85 2dgaA1 ALA 78 HA 0.13 0.06 0.29 -0.75 4.34 4.07 2dgaA1 ALA 78 HB3 -0.08 0.09 -0.20 -0.04 1.41 1.18 2dgaA1 ALA 79 H -0.02 0.16 0.24 -0.55 8.40 8.24 2dgaA1 ALA 79 HA -0.07 0.14 0.68 -0.75 4.34 4.34 2dgaA1 ALA 79 HB3 -0.04 0.03 0.14 -0.04 1.41 1.50 2dgaA1 ASN 80 H -0.01 0.47 -0.22 -0.55 8.53 8.22 2dgaA1 ASN 80 HA 0.06 0.11 0.35 -0.75 4.76 4.52 2dgaA1 ASN 80 HB2 0.02 -0.00 -0.19 -0.04 2.88 2.66 2dgaA1 ASN 80 HB3 0.02 0.20 -0.01 -0.04 2.79 2.96 2dgaA1 ASN 80 HD21 0.04 -0.02 0.03 -0.04 7.03 7.04 2dgaA1 ASN 80 HD22 0.02 0.12 -0.00 -0.04 7.74 7.84 2dgaA1 SER 81 H 0.04 0.54 -0.07 -0.55 8.46 8.43 2dgaA1 SER 81 HA 0.08 0.04 0.22 -0.75 4.49 4.08 2dgaA1 SER 81 HB2 0.09 -0.09 -0.36 -0.04 3.95 3.55 2dgaA1 SER 81 HB3 0.14 -0.02 -0.10 -0.04 3.93 3.91 2dgaA1 TYR 82 H 0.08 0.53 -0.23 -0.55 8.29 8.11 2dgaA1 TYR 82 HA -0.66 0.04 0.39 -0.75 4.56 3.58 2dgaA1 TYR 82 HB2 -0.36 0.03 -0.11 -0.04 3.06 2.58 2dgaA1 TYR 82 HB3 -0.36 -0.04 -0.04 -0.04 2.98 2.50 2dgaA1 TYR 82 HD2 -1.27 -0.05 -0.07 -0.04 7.15 5.72 2dgaA1 TYR 82 HE2 -0.43 -0.02 -0.04 -0.04 6.85 6.32 2dgaA1 HIS 83 H 0.10 0.25 -0.20 -0.55 8.41 8.01 2dgaA1 HIS 83 HA -0.02 0.18 0.81 -0.75 4.63 4.85 2dgaA1 HIS 83 HB2 0.02 0.10 0.13 -0.04 3.26 3.47 2dgaA1 HIS 83 HB3 -0.01 0.01 0.03 -0.04 3.20 3.20 2dgaA1 HIS 83 HD2 0.09 -0.03 0.03 -0.04 6.97 7.02 2dgaA1 HIS 83 HE1 0.08 -0.01 -0.02 -0.04 7.75 7.76 2dgaA1 LEU 84 H 0.11 0.50 0.14 -0.55 8.37 8.58 2dgaA1 LEU 84 HA -0.08 0.19 0.88 -0.75 4.35 4.59 2dgaA1 LEU 84 HB2 0.00 0.11 0.01 -0.04 1.64 1.72 2dgaA1 LEU 84 HB3 -0.05 -0.08 0.18 -0.04 1.64 1.64 2dgaA1 LEU 84 HG 0.05 -0.00 0.01 -0.04 1.64 1.66 2dgaA1 LEU 84 HD13 -0.02 0.05 -0.00 -0.04 0.93 0.91 2dgaA1 LEU 84 HD23 -0.03 0.01 -0.11 -0.04 0.89 0.73 2dgaA1 TYR 85 H 0.26 0.35 -0.37 -0.55 8.29 7.98 2dgaA1 TYR 85 HA -0.04 -0.02 0.35 -0.75 4.56 4.10 2dgaA1 TYR 85 HB2 -0.11 -0.06 0.02 -0.04 3.06 2.88 2dgaA1 TYR 85 HB3 0.05 0.29 0.11 -0.04 2.98 3.39 2dgaA1 TYR 85 HD2 -0.06 0.05 -0.24 -0.04 7.15 6.86 2dgaA1 TYR 85 HE2 -0.09 0.07 -0.10 -0.04 6.85 6.68 2dgaA1 GLU 86 H -0.81 0.19 -0.34 -0.55 8.60 7.09 2dgaA1 GLU 86 HA -0.26 0.11 0.40 -0.75 4.29 3.78 2dgaA1 GLU 86 HB2 -0.36 0.02 0.02 -0.04 2.09 1.72 2dgaA1 GLU 86 HB3 -0.23 0.04 0.00 -0.04 1.99 1.77 2dgaA1 GLU 86 HG2 -1.14 -0.03 -0.02 -0.04 2.34 1.11 2dgaA1 GLU 86 HG3 -0.33 0.04 -0.00 -0.04 2.34 2.00 2dgaA1 GLU 87 H -0.17 0.46 -0.28 -0.55 8.60 8.07 2dgaA1 GLU 87 HA -0.11 0.09 0.52 -0.75 4.29 4.04 2dgaA1 GLU 87 HB2 -0.08 0.13 0.06 -0.04 2.09 2.16 2dgaA1 GLU 87 HB3 -0.08 -0.04 0.09 -0.04 1.99 1.92 2dgaA1 GLU 87 HG2 -0.11 -0.02 0.09 -0.04 2.34 2.25 2dgaA1 GLU 87 HG3 -0.07 0.03 0.05 -0.04 2.34 2.31 2dgaA1 ASP 88 H -0.11 0.28 -0.27 -0.55 8.40 7.75 2dgaA1 ASP 88 HA -0.15 0.04 0.44 -0.75 4.63 4.20 2dgaA1 ASP 88 HB2 -0.10 0.20 0.12 -0.04 2.71 2.89 2dgaA1 ASP 88 HB3 -0.27 -0.05 -0.06 -0.04 2.70 2.29 2dgaA1 VAL 89 H -0.14 0.45 -0.12 -0.55 8.24 7.88 2dgaA1 VAL 89 HA -0.20 0.05 0.33 -0.75 4.13 3.56 2dgaA1 VAL 89 HB -0.10 0.08 0.09 -0.04 2.12 2.15 2dgaA1 VAL 89 HG13 -0.06 0.02 -0.20 -0.04 0.97 0.68 2dgaA1 VAL 89 HG23 -0.04 0.03 -0.05 -0.04 0.95 0.84 2dgaA1 LYS 90 H -0.12 0.40 -0.30 -0.55 8.42 7.86 2dgaA1 LYS 90 HA -0.07 0.08 0.37 -0.75 4.32 3.94 2dgaA1 LYS 90 HB2 -0.08 0.07 0.12 -0.04 1.87 1.94 2dgaA1 LYS 90 HB3 -0.08 0.05 0.13 -0.04 1.79 1.84 2dgaA1 LYS 90 HG2 -0.05 -0.02 -0.19 -0.04 1.46 1.16 2dgaA1 LYS 90 HG3 -0.05 0.02 0.03 -0.04 1.46 1.41 2dgaA1 LYS 90 HD2 -0.06 -0.01 -0.01 -0.04 1.69 1.57 2dgaA1 LYS 90 HD3 -0.05 -0.02 -0.01 -0.04 1.68 1.55 2dgaA1 LYS 90 HE2 -0.04 0.02 -0.01 -0.04 2.99 2.92 2dgaA1 LYS 90 HE3 -0.04 -0.03 -0.01 -0.04 2.99 2.87 2dgaA1 ALA 91 H -0.11 0.41 -0.35 -0.55 8.40 7.80 2dgaA1 ALA 91 HA -0.06 0.00 0.36 -0.75 4.34 3.89 2dgaA1 ALA 91 HB3 -0.10 0.02 0.04 -0.04 1.41 1.33 2dgaA1 LEU 92 H -0.17 0.46 -0.25 -0.55 8.37 7.86 2dgaA1 LEU 92 HA -0.14 -0.05 0.38 -0.75 4.35 3.79 2dgaA1 LEU 92 HB2 -0.18 0.17 0.11 -0.04 1.64 1.70 2dgaA1 LEU 92 HB3 -0.14 0.08 -0.09 -0.04 1.64 1.44 2dgaA1 LEU 92 HG -0.38 0.01 -0.01 -0.04 1.64 1.23 2dgaA1 LEU 92 HD13 -0.79 -0.03 -0.17 -0.04 0.93 -0.11 2dgaA1 LEU 92 HD23 -0.22 -0.01 -0.04 -0.04 0.89 0.58 2dgaA1 LYS 93 H -0.09 0.52 -0.16 -0.55 8.42 8.14 2dgaA1 LYS 93 HA -0.04 0.16 0.42 -0.75 4.32 4.10 2dgaA1 LYS 93 HB2 -0.05 0.04 0.09 -0.04 1.87 1.91 2dgaA1 LYS 93 HB3 -0.05 0.01 0.16 -0.04 1.79 1.87 2dgaA1 LYS 93 HG2 -0.03 -0.01 -0.21 -0.04 1.46 1.17 2dgaA1 LYS 93 HG3 -0.02 0.09 0.04 -0.04 1.46 1.52 2dgaA1 LYS 93 HD2 -0.03 -0.00 -0.01 -0.04 1.69 1.60 2dgaA1 LYS 93 HD3 -0.04 -0.08 -0.03 -0.04 1.68 1.50 2dgaA1 LYS 93 HE2 -0.02 -0.08 -0.02 -0.04 2.99 2.83 2dgaA1 LYS 93 HE3 -0.02 -0.01 -0.04 -0.04 2.99 2.88 2dgaA1 ASP 94 H -0.05 0.64 -0.09 -0.55 8.40 8.35 2dgaA1 ASP 94 HA -0.02 0.06 0.39 -0.75 4.63 4.30 2dgaA1 ASP 94 HB2 -0.03 0.02 0.11 -0.04 2.71 2.77 2dgaA1 ASP 94 HB3 -0.01 -0.09 0.02 -0.04 2.70 2.58 2dgaA1 MET 95 H -0.03 0.34 -0.43 -0.55 8.47 7.80 2dgaA1 MET 95 HA 0.04 0.06 0.61 -0.75 4.52 4.47 2dgaA1 MET 95 HB2 -0.06 0.06 0.08 -0.04 2.15 2.20 2dgaA1 MET 95 HB3 0.00 -0.09 0.02 -0.04 2.03 1.92 2dgaA1 MET 95 HG2 0.07 0.09 0.02 -0.04 2.63 2.77 2dgaA1 MET 95 HG3 -0.01 0.12 -0.01 -0.04 2.56 2.62 2dgaA1 MET 95 HE3 -0.12 -0.01 -0.10 -0.04 2.10 1.83 2dgaA1 GLY 96 H -0.01 0.32 -0.31 -0.55 8.43 7.87 2dgaA1 GLY 96 HA2 0.00 0.09 0.31 -0.51 4.01 3.91 2dgaA1 GLY 96 HA3 0.02 0.06 0.47 -0.51 4.01 4.05 2dgaA1 MET 97 H -0.03 0.27 -0.09 -0.55 8.47 8.07 2dgaA1 MET 97 HA 0.06 0.03 0.41 -0.75 4.52 4.27 2dgaA1 MET 97 HB2 -0.07 -0.04 0.05 -0.04 2.15 2.06 2dgaA1 MET 97 HB3 -0.04 -0.03 0.09 -0.04 2.03 2.00 2dgaA1 MET 97 HG2 -0.12 0.03 -0.07 -0.04 2.63 2.43 2dgaA1 MET 97 HG3 -0.16 -0.13 -0.09 -0.04 2.56 2.14 2dgaA1 MET 97 HE3 -0.92 -0.04 -0.08 -0.04 2.10 1.02 2dgaA1 LYS 98 H 0.10 0.45 0.41 -0.55 8.42 8.82 2dgaA1 LYS 98 HA 0.04 0.31 0.89 -0.75 4.32 4.80 2dgaA1 LYS 98 HB2 0.13 -0.09 0.24 -0.04 1.87 2.11 2dgaA1 LYS 98 HB3 0.08 -0.05 0.15 -0.04 1.79 1.92 2dgaA1 LYS 98 HG2 0.10 0.13 0.01 -0.04 1.46 1.67 2dgaA1 LYS 98 HG3 0.13 -0.00 0.11 -0.04 1.46 1.65 2dgaA1 LYS 98 HD2 0.07 -0.08 0.11 -0.04 1.69 1.74 2dgaA1 LYS 98 HD3 0.05 0.17 0.15 -0.04 1.68 2.00 2dgaA1 LYS 98 HE2 0.07 -0.04 0.06 -0.04 2.99 3.03 2dgaA1 LYS 98 HE3 0.05 -0.06 0.06 -0.04 2.99 3.00 2dgaA1 VAL 99 H -0.04 0.24 0.21 -0.55 8.24 8.10 2dgaA1 VAL 99 HA -0.05 0.30 0.96 -0.75 4.13 4.59 2dgaA1 VAL 99 HB -0.45 -0.08 -0.24 -0.04 2.12 1.32 2dgaA1 VAL 99 HG13 -0.91 -0.01 -0.33 -0.04 0.97 -0.32 2dgaA1 VAL 99 HG23 -0.14 0.02 -0.26 -0.04 0.95 0.52 2dgaA1 TYR 100 H 0.02 0.64 0.14 -0.55 8.29 8.54 2dgaA1 TYR 100 HA -0.16 0.17 0.92 -0.75 4.56 4.74 2dgaA1 TYR 100 HB2 -0.05 0.07 -0.17 -0.04 3.06 2.87 2dgaA1 TYR 100 HB3 0.04 0.00 -0.02 -0.04 2.98 2.96 2dgaA1 TYR 100 HD2 -0.10 0.14 -0.07 -0.04 7.15 7.09 2dgaA1 TYR 100 HE2 -0.18 -0.08 -0.21 -0.04 6.85 6.34 2dgaA1 ARG 101 H -0.09 0.63 0.27 -0.55 8.46 8.72 2dgaA1 ARG 101 HA -0.19 0.47 1.06 -0.75 4.34 4.92 2dgaA1 ARG 101 HB2 -0.21 0.01 -0.04 -0.04 1.90 1.61 2dgaA1 ARG 101 HB3 -0.03 -0.06 0.12 -0.04 1.80 1.79 2dgaA1 ARG 101 HG2 0.02 -0.07 -0.27 -0.04 1.67 1.31 2dgaA1 ARG 101 HG3 0.12 0.08 -0.12 -0.04 1.67 1.71 2dgaA1 ARG 101 HD2 0.13 0.00 -0.14 -0.04 3.22 3.18 2dgaA1 ARG 101 HD3 0.16 0.09 -0.07 -0.04 3.22 3.36 2dgaA1 PHE 102 H -0.65 0.51 0.28 -0.55 8.34 7.93 2dgaA1 PHE 102 HA -0.24 0.15 0.75 -0.75 4.62 4.52 2dgaA1 PHE 102 HB2 -0.25 -0.12 -0.01 -0.04 3.15 2.73 2dgaA1 PHE 102 HB3 -1.16 0.03 -0.23 -0.04 3.06 1.66 2dgaA1 PHE 102 HD2 -0.46 0.07 -0.30 -0.04 7.28 6.54 2dgaA1 PHE 102 HE2 -0.23 0.02 -0.15 -0.04 7.38 6.98 2dgaA1 PHE 102 HZ -0.28 0.05 -0.13 -0.04 7.32 6.92 2dgaA1 SER 103 H 0.14 0.01 0.09 -0.55 8.46 8.15 2dgaA1 SER 103 HA -0.10 0.40 1.16 -0.75 4.49 5.19 2dgaA1 SER 103 HB2 0.10 0.16 -0.03 -0.04 3.95 4.14 2dgaA1 SER 103 HB3 0.08 0.05 -0.02 -0.04 3.93 3.99 2dgaA1 ILE 104 H 0.01 0.60 0.25 -0.55 8.25 8.57 2dgaA1 ILE 104 HA -0.37 0.11 0.83 -0.75 4.18 4.00 2dgaA1 ILE 104 HB -0.01 0.09 0.15 -0.04 1.89 2.08 2dgaA1 ILE 104 HG12 -0.92 0.01 -0.08 -0.04 1.49 0.45 2dgaA1 ILE 104 HG13 -0.31 -0.03 -0.22 -0.04 1.21 0.61 2dgaA1 ILE 104 HG23 -0.03 -0.02 -0.23 -0.04 0.93 0.61 2dgaA1 ILE 104 HD13 -0.10 0.02 -0.09 -0.04 0.88 0.68 2dgaA1 SER 105 H 0.36 0.22 0.12 -0.55 8.46 8.61 2dgaA1 SER 105 HA 0.28 0.00 0.66 -0.75 4.49 4.68 2dgaA1 SER 105 HB2 0.31 -0.00 0.07 -0.04 3.95 4.29 2dgaA1 SER 105 HB3 0.38 0.09 0.17 -0.04 3.93 4.54 2dgaA1 TRP 106 H 0.36 0.19 0.28 -0.55 7.97 8.26 2dgaA1 TRP 106 HA -0.80 0.14 0.39 -0.75 4.62 3.59 2dgaA1 TRP 106 HB2 -0.26 0.05 0.19 -0.04 3.23 3.17 2dgaA1 TRP 106 HB3 -0.08 0.02 0.19 -0.04 3.23 3.33 2dgaA1 TRP 106 HD1 -0.50 -0.11 0.07 -0.04 7.22 6.64 2dgaA1 TRP 106 HE1 -0.14 0.46 0.14 -0.04 10.20 10.62 2dgaA1 TRP 106 HE3 0.58 -0.09 -0.04 -0.04 7.59 8.01 2dgaA1 TRP 106 HZ2 0.07 0.11 -0.22 -0.04 7.44 7.35 2dgaA1 TRP 106 HZ3 0.38 -0.03 -0.03 -0.04 7.13 7.40 2dgaA1 TRP 106 HH2 0.12 0.01 -0.11 -0.04 7.19 7.17 2dgaA1 SER 107 H 0.18 0.08 -0.10 -0.55 8.46 8.08 2dgaA1 SER 107 HA 0.02 0.25 0.26 -0.75 4.49 4.26 2dgaA1 SER 107 HB2 0.05 0.18 -0.20 -0.04 3.95 3.94 2dgaA1 SER 107 HB3 0.01 -0.12 -0.10 -0.04 3.93 3.69 2dgaA1 ARG 108 H 0.21 0.13 -0.54 -0.55 8.46 7.70 2dgaA1 ARG 108 HA 0.08 0.11 0.63 -0.75 4.34 4.41 2dgaA1 ARG 108 HB2 0.15 -0.09 0.04 -0.04 1.90 1.96 2dgaA1 ARG 108 HB3 0.34 0.06 0.06 -0.04 1.80 2.22 2dgaA1 ARG 108 HG2 0.12 -0.03 0.03 -0.04 1.67 1.75 2dgaA1 ARG 108 HG3 -0.06 0.07 0.05 -0.04 1.67 1.69 2dgaA1 ARG 108 HD2 0.15 -0.02 0.02 -0.04 3.22 3.33 2dgaA1 ARG 108 HD3 -0.06 0.05 0.00 -0.04 3.22 3.16 2dgaA1 ILE 109 H 0.24 0.27 -0.17 -0.55 8.25 8.05 2dgaA1 ILE 109 HA 0.23 0.10 0.77 -0.75 4.18 4.53 2dgaA1 ILE 109 HB 0.31 0.06 0.09 -0.04 1.89 2.31 2dgaA1 ILE 109 HG12 0.44 -0.03 -0.19 -0.04 1.49 1.67 2dgaA1 ILE 109 HG13 0.45 0.01 -0.10 -0.04 1.21 1.53 2dgaA1 ILE 109 HG23 0.24 -0.00 -0.14 -0.04 0.93 0.99 2dgaA1 ILE 109 HD13 0.42 0.00 -0.12 -0.04 0.88 1.14 2dgaA1 LEU 110 H 0.21 0.63 -0.01 -0.55 8.37 8.66 2dgaA1 LEU 110 HA 0.12 0.29 0.68 -0.75 4.35 4.69 2dgaA1 LEU 110 HB2 0.40 0.01 0.06 -0.04 1.64 2.07 2dgaA1 LEU 110 HB3 0.20 -0.09 -0.36 -0.04 1.64 1.35 2dgaA1 LEU 110 HG 0.20 -0.06 -0.45 -0.04 1.64 1.29 2dgaA1 LEU 110 HD13 0.23 0.02 -0.09 -0.04 0.93 1.05 2dgaA1 LEU 110 HD23 0.12 0.02 -0.43 -0.04 0.89 0.56 2dgaA1 PRO 111 HA 0.02 0.06 0.58 -0.51 4.44 4.59 2dgaA1 PRO 111 HB2 0.02 -0.03 0.05 -0.04 2.28 2.27 2dgaA1 PRO 111 HB3 0.01 0.06 0.11 -0.04 2.02 2.16 2dgaA1 PRO 111 HG2 0.03 0.05 0.05 -0.04 2.03 2.11 2dgaA1 PRO 111 HG3 0.04 0.08 0.09 -0.04 2.03 2.19 2dgaA1 PRO 111 HD2 0.06 0.24 0.08 -0.04 3.68 4.02 2dgaA1 PRO 111 HD3 0.09 0.11 -0.46 -0.04 3.65 3.34 2dgaA1 ASP 112 H 0.02 0.22 -0.37 -0.55 8.40 7.73 2dgaA1 ASP 112 HA -0.04 0.13 0.85 -0.75 4.63 4.81 2dgaA1 ASP 112 HB2 0.02 0.26 0.10 -0.04 2.71 3.05 2dgaA1 ASP 112 HB3 -0.01 -0.05 0.18 -0.04 2.70 2.78 2dgaA1 GLY 113 H -0.06 0.71 -0.34 -0.55 8.43 8.19 2dgaA1 GLY 113 HA2 -0.40 -0.02 0.35 -0.51 4.01 3.43 2dgaA1 GLY 113 HA3 -0.20 -0.01 0.49 -0.51 4.01 3.78 2dgaA1 THR 114 H 0.05 0.52 -0.66 -0.55 8.28 7.63 2dgaA1 THR 114 HA 0.18 0.21 0.69 -0.75 4.39 4.72 2dgaA1 THR 114 HB 0.14 -0.02 -0.08 -0.04 4.32 4.32 2dgaA1 THR 114 HG23 0.06 0.03 -0.14 -0.04 1.22 1.13 2dgaA1 GLY 115 H 0.08 0.14 0.06 -0.55 8.43 8.17 2dgaA1 GLY 115 HA2 0.05 0.02 0.28 -0.51 4.01 3.85 2dgaA1 GLY 115 HA3 0.05 0.09 0.63 -0.51 4.01 4.26 2dgaA1 LYS 116 H 0.04 0.10 0.14 -0.55 8.42 8.15 2dgaA1 LYS 116 HA 0.04 0.03 0.47 -0.75 4.32 4.11 2dgaA1 LYS 116 HB2 0.03 -0.03 0.12 -0.04 1.87 1.95 2dgaA1 LYS 116 HB3 0.03 -0.02 0.11 -0.04 1.79 1.87 2dgaA1 LYS 116 HG2 0.03 -0.04 -0.02 -0.04 1.46 1.38 2dgaA1 LYS 116 HG3 0.04 0.22 -0.24 -0.04 1.46 1.43 2dgaA1 LYS 116 HD2 0.03 -0.04 0.10 -0.04 1.69 1.74 2dgaA1 LYS 116 HD3 0.02 -0.03 0.04 -0.04 1.68 1.67 2dgaA1 LYS 116 HE2 0.03 0.08 0.07 -0.04 2.99 3.13 2dgaA1 LYS 116 HE3 0.02 -0.01 0.04 -0.04 2.99 3.00 2dgaA1 VAL 117 H 0.04 0.08 0.21 -0.55 8.24 8.03 2dgaA1 VAL 117 HA 0.09 0.28 0.65 -0.75 4.13 4.40 2dgaA1 VAL 117 HB 0.07 0.03 0.01 -0.04 2.12 2.19 2dgaA1 VAL 117 HG13 0.04 0.02 0.03 -0.04 0.97 1.02 2dgaA1 VAL 117 HG23 0.03 -0.03 0.03 -0.04 0.95 0.94 2dgaA1 ASN 118 H 0.11 0.79 0.29 -0.55 8.53 9.17 2dgaA1 ASN 118 HA 0.06 0.06 0.71 -0.75 4.76 4.83 2dgaA1 ASN 118 HB2 0.06 0.06 0.02 -0.04 2.88 2.99 2dgaA1 ASN 118 HB3 0.11 0.20 0.28 -0.04 2.79 3.33 2dgaA1 ASN 118 HD21 0.02 0.33 0.09 -0.04 7.03 7.43 2dgaA1 ASN 118 HD22 0.06 0.39 0.09 -0.04 7.74 8.24 2dgaA1 GLN 119 H 0.06 0.30 0.19 -0.55 8.47 8.47 2dgaA1 GLN 119 HA 0.08 0.06 0.35 -0.75 4.36 4.10 2dgaA1 GLN 119 HB2 0.04 -0.01 0.16 -0.04 2.15 2.31 2dgaA1 GLN 119 HB3 0.05 0.02 -0.02 -0.04 2.02 2.04 2dgaA1 GLN 119 HG2 0.04 0.07 0.08 -0.04 2.40 2.54 2dgaA1 GLN 119 HG3 0.03 0.02 0.05 -0.04 2.39 2.46 2dgaA1 GLN 119 HE21 0.03 0.04 0.01 -0.04 6.97 7.00 2dgaA1 GLN 119 HE22 0.03 0.00 0.01 -0.04 7.69 7.70 2dgaA1 ALA 120 H 0.07 0.13 -0.20 -0.55 8.40 7.85 2dgaA1 ALA 120 HA 0.08 0.05 0.43 -0.75 4.34 4.14 2dgaA1 ALA 120 HB3 0.07 0.05 0.11 -0.04 1.41 1.60 2dgaA1 GLY 121 H 0.13 0.33 -0.21 -0.55 8.43 8.12 2dgaA1 GLY 121 HA2 0.19 -0.01 0.44 -0.51 4.01 4.12 2dgaA1 GLY 121 HA3 0.23 0.22 0.26 -0.51 4.01 4.21 2dgaA1 ILE 122 H 0.20 0.38 -0.07 -0.55 8.25 8.21 2dgaA1 ILE 122 HA 0.54 0.01 0.38 -0.75 4.18 4.35 2dgaA1 ILE 122 HB 0.13 0.08 0.15 -0.04 1.89 2.21 2dgaA1 ILE 122 HG12 0.13 -0.01 -0.02 -0.04 1.49 1.56 2dgaA1 ILE 122 HG13 0.17 0.06 -0.03 -0.04 1.21 1.37 2dgaA1 ILE 122 HG23 0.08 0.00 -0.12 -0.04 0.93 0.85 2dgaA1 ILE 122 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.79 2dgaA1 ASP 123 H 0.13 0.65 -0.10 -0.55 8.40 8.54 2dgaA1 ASP 123 HA 0.09 0.03 0.38 -0.75 4.63 4.38 2dgaA1 ASP 123 HB2 0.07 0.08 0.14 -0.04 2.71 2.95 2dgaA1 ASP 123 HB3 0.03 -0.04 0.03 -0.04 2.70 2.68 2dgaA1 TYR 124 H 0.12 0.43 -0.30 -0.55 8.29 8.00 2dgaA1 TYR 124 HA -0.34 0.03 0.44 -0.75 4.56 3.95 2dgaA1 TYR 124 HB2 -0.21 0.04 0.15 -0.04 3.06 3.00 2dgaA1 TYR 124 HB3 -0.31 0.15 0.23 -0.04 2.98 3.02 2dgaA1 TYR 124 HD2 -1.09 0.02 0.05 -0.04 7.15 6.09 2dgaA1 TYR 124 HE2 -0.42 0.02 0.02 -0.04 6.85 6.42 2dgaA1 TYR 125 H -0.12 0.46 -0.02 -0.55 8.29 8.05 2dgaA1 TYR 125 HA -0.65 -0.02 0.43 -0.75 4.56 3.56 2dgaA1 TYR 125 HB2 -0.28 0.13 0.10 -0.04 3.06 2.97 2dgaA1 TYR 125 HB3 -0.66 -0.01 0.01 -0.04 2.98 2.27 2dgaA1 TYR 125 HD2 -0.00 0.08 -0.03 -0.04 7.15 7.17 2dgaA1 TYR 125 HE2 0.25 0.02 0.01 -0.04 6.85 7.08 2dgaA1 ASN 126 H 0.09 0.50 -0.29 -0.55 8.53 8.28 2dgaA1 ASN 126 HA 0.09 0.03 0.44 -0.75 4.76 4.56 2dgaA1 ASN 126 HB2 0.10 0.10 0.16 -0.04 2.88 3.20 2dgaA1 ASN 126 HB3 0.07 -0.03 -0.01 -0.04 2.79 2.77 2dgaA1 ASN 126 HD21 0.14 0.04 -0.01 -0.04 7.03 7.15 2dgaA1 ASN 126 HD22 0.13 -0.07 -0.07 -0.04 7.74 7.69 2dgaA1 LYS 127 H -0.19 0.50 -0.19 -0.55 8.42 7.99 2dgaA1 LYS 127 HA -0.06 0.02 0.43 -0.75 4.32 3.96 2dgaA1 LYS 127 HB2 -0.48 0.17 0.21 -0.04 1.87 1.73 2dgaA1 LYS 127 HB3 -0.08 -0.08 0.01 -0.04 1.79 1.61 2dgaA1 LYS 127 HG2 -0.01 -0.06 0.04 -0.04 1.46 1.39 2dgaA1 LYS 127 HG3 -0.07 0.27 0.13 -0.04 1.46 1.75 2dgaA1 LYS 127 HD2 -0.12 0.00 0.02 -0.04 1.69 1.55 2dgaA1 LYS 127 HD3 0.05 -0.04 0.01 -0.04 1.68 1.66 2dgaA1 LYS 127 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2dgaA1 LYS 127 HE3 -0.01 0.00 -0.07 -0.04 2.99 2.87 2dgaA1 LEU 128 H -0.58 0.45 -0.10 -0.55 8.37 7.59 2dgaA1 LEU 128 HA -0.18 0.00 0.37 -0.75 4.35 3.79 2dgaA1 LEU 128 HB2 -0.84 -0.02 0.05 -0.04 1.64 0.79 2dgaA1 LEU 128 HB3 -0.60 0.09 0.14 -0.04 1.64 1.22 2dgaA1 LEU 128 HG -0.61 0.06 -0.31 -0.04 1.64 0.74 2dgaA1 LEU 128 HD13 -0.08 -0.02 -0.06 -0.04 0.93 0.73 2dgaA1 LEU 128 HD23 -0.90 -0.02 -0.10 -0.04 0.89 -0.17 2dgaA1 ILE 129 H -0.20 0.69 -0.08 -0.55 8.25 8.11 2dgaA1 ILE 129 HA -0.04 0.01 0.38 -0.75 4.18 3.78 2dgaA1 ILE 129 HB -0.02 0.08 0.17 -0.04 1.89 2.07 2dgaA1 ILE 129 HG12 0.06 -0.04 -0.01 -0.04 1.49 1.46 2dgaA1 ILE 129 HG13 -0.09 0.06 0.07 -0.04 1.21 1.21 2dgaA1 ILE 129 HG23 0.01 0.00 -0.13 -0.04 0.93 0.78 2dgaA1 ILE 129 HD13 -0.21 -0.02 -0.08 -0.04 0.88 0.53 2dgaA1 ASN 130 H -0.04 0.66 -0.12 -0.55 8.53 8.48 2dgaA1 ASN 130 HA 0.00 0.04 0.42 -0.75 4.76 4.47 2dgaA1 ASN 130 HB2 -0.00 0.06 0.14 -0.04 2.88 3.04 2dgaA1 ASN 130 HB3 0.01 -0.06 0.04 -0.04 2.79 2.74 2dgaA1 ASN 130 HD21 0.03 -0.07 -0.02 -0.04 7.03 6.93 2dgaA1 ASN 130 HD22 0.01 -0.06 -0.07 -0.04 7.74 7.58 2dgaA1 SER 131 H -0.01 0.48 -0.28 -0.55 8.46 8.10 2dgaA1 SER 131 HA 0.00 0.02 0.45 -0.75 4.49 4.21 2dgaA1 SER 131 HB2 0.07 0.00 0.09 -0.04 3.95 4.07 2dgaA1 SER 131 HB3 0.04 0.07 0.12 -0.04 3.93 4.12 2dgaA1 LEU 132 H -0.02 0.54 -0.12 -0.55 8.37 8.23 2dgaA1 LEU 132 HA -0.01 -0.01 0.36 -0.75 4.35 3.94 2dgaA1 LEU 132 HB2 0.02 0.13 0.17 -0.04 1.64 1.91 2dgaA1 LEU 132 HB3 0.05 0.12 -0.11 -0.04 1.64 1.65 2dgaA1 LEU 132 HG -0.02 0.14 0.01 -0.04 1.64 1.74 2dgaA1 LEU 132 HD13 0.11 -0.05 -0.17 -0.04 0.93 0.78 2dgaA1 LEU 132 HD23 0.05 -0.03 -0.13 -0.04 0.89 0.73 2dgaA1 ILE 133 H 0.00 0.52 -0.08 -0.55 8.25 8.14 2dgaA1 ILE 133 HA 0.01 0.10 0.42 -0.75 4.18 3.95 2dgaA1 ILE 133 HB 0.01 0.03 0.15 -0.04 1.89 2.03 2dgaA1 ILE 133 HG12 0.00 0.03 0.07 -0.04 1.49 1.55 2dgaA1 ILE 133 HG13 0.00 0.14 0.13 -0.04 1.21 1.44 2dgaA1 ILE 133 HG23 0.01 -0.02 -0.07 -0.04 0.93 0.81 2dgaA1 ILE 133 HD13 0.00 -0.03 -0.04 -0.04 0.88 0.77 2dgaA1 ASP 134 H 0.00 0.51 -0.22 -0.55 8.40 8.14 2dgaA1 ASP 134 HA 0.00 -0.01 0.43 -0.75 4.63 4.31 2dgaA1 ASP 134 HB2 -0.00 0.09 0.14 -0.04 2.71 2.90 2dgaA1 ASP 134 HB3 -0.00 -0.09 0.08 -0.04 2.70 2.64 2dgaA1 ASN 135 H -0.00 0.35 -0.60 -0.55 8.53 7.74 2dgaA1 ASN 135 HA -0.01 0.10 0.78 -0.75 4.76 4.88 2dgaA1 ASN 135 HB2 -0.02 0.09 0.10 -0.04 2.88 3.00 2dgaA1 ASN 135 HB3 -0.02 -0.03 0.12 -0.04 2.79 2.81 2dgaA1 ASN 135 HD21 -0.03 -0.16 -0.07 -0.04 7.03 6.73 2dgaA1 ASN 135 HD22 -0.02 0.54 0.01 -0.04 7.74 8.22 2dgaA1 ASP 136 H 0.00 0.39 -0.38 -0.55 8.40 7.87 2dgaA1 ASP 136 HA 0.02 0.01 0.30 -0.75 4.63 4.20 2dgaA1 ASP 136 HB2 0.01 -0.06 -0.14 -0.04 2.71 2.48 2dgaA1 ASP 136 HB3 0.01 0.18 0.04 -0.04 2.70 2.89 2dgaA1 ILE 137 H 0.01 0.51 -0.12 -0.55 8.25 8.11 2dgaA1 ILE 137 HA 0.02 0.29 0.81 -0.75 4.18 4.54 2dgaA1 ILE 137 HB 0.01 -0.13 -0.08 -0.04 1.89 1.66 2dgaA1 ILE 137 HG12 -0.01 0.27 -0.20 -0.04 1.49 1.51 2dgaA1 ILE 137 HG13 -0.01 0.20 -0.49 -0.04 1.21 0.87 2dgaA1 ILE 137 HG23 0.03 -0.05 -0.50 -0.04 0.93 0.37 2dgaA1 ILE 137 HD13 -0.06 -0.08 -0.15 -0.04 0.88 0.55 2dgaA1 VAL 138 H 0.04 0.82 0.26 -0.55 8.24 8.81 2dgaA1 VAL 138 HA 0.04 0.17 0.69 -0.75 4.13 4.27 2dgaA1 VAL 138 HB 0.14 -0.04 0.12 -0.04 2.12 2.29 2dgaA1 VAL 138 HG13 0.10 -0.01 -0.15 -0.04 0.97 0.87 2dgaA1 VAL 138 HG23 0.07 0.04 -0.03 -0.04 0.95 0.99 2dgaA1 PRO 139 HA 0.09 0.19 0.77 -0.51 4.44 4.97 2dgaA1 PRO 139 HB2 -0.05 -0.07 -0.04 -0.04 2.28 2.08 2dgaA1 PRO 139 HB3 0.17 0.01 0.02 -0.04 2.02 2.18 2dgaA1 PRO 139 HG2 -0.18 -0.07 0.20 -0.04 2.03 1.94 2dgaA1 PRO 139 HG3 -0.04 0.03 0.04 -0.04 2.03 2.01 2dgaA1 PRO 139 HD2 -0.03 0.12 0.26 -0.04 3.68 3.99 2dgaA1 PRO 139 HD3 0.02 0.29 0.21 -0.04 3.65 4.13 2dgaA1 TYR 140 H -0.04 0.64 0.29 -0.55 8.29 8.63 2dgaA1 TYR 140 HA -0.37 0.25 0.81 -0.75 4.56 4.49 2dgaA1 TYR 140 HB2 -0.24 -0.03 -0.03 -0.04 3.06 2.72 2dgaA1 TYR 140 HB3 0.06 -0.09 -0.13 -0.04 2.98 2.78 2dgaA1 TYR 140 HD2 -0.09 -0.04 -0.44 -0.04 7.15 6.54 2dgaA1 TYR 140 HE2 -0.54 0.02 -0.20 -0.04 6.85 6.09 2dgaA1 VAL 141 H -0.65 0.60 0.21 -0.55 8.24 7.85 2dgaA1 VAL 141 HA -0.68 0.30 1.15 -0.75 4.13 4.15 2dgaA1 VAL 141 HB -0.93 0.03 0.04 -0.04 2.12 1.22 2dgaA1 VAL 141 HG13 -0.37 -0.04 -0.32 -0.04 0.97 0.20 2dgaA1 VAL 141 HG23 -1.05 0.02 -0.22 -0.04 0.95 -0.34 2dgaA1 THR 142 H -0.21 0.69 0.39 -0.55 8.28 8.60 2dgaA1 THR 142 HA 0.19 0.21 0.79 -0.75 4.39 4.82 2dgaA1 THR 142 HB 0.07 -0.13 0.00 -0.04 4.32 4.22 2dgaA1 THR 142 HG23 0.10 -0.06 -0.33 -0.04 1.22 0.89 2dgaA1 ILE 143 H 0.10 0.76 0.31 -0.55 8.25 8.88 2dgaA1 ILE 143 HA -0.02 0.02 0.55 -0.75 4.18 3.98 2dgaA1 ILE 143 HB -0.07 0.17 0.30 -0.04 1.89 2.24 2dgaA1 ILE 143 HG12 -0.17 -0.02 -0.02 -0.04 1.49 1.23 2dgaA1 ILE 143 HG13 0.14 0.07 -0.01 -0.04 1.21 1.37 2dgaA1 ILE 143 HG23 -0.76 -0.03 -0.06 -0.04 0.93 0.04 2dgaA1 ILE 143 HD13 -0.49 -0.01 -0.01 -0.04 0.88 0.33 2dgaA1 TRP 144 H 0.20 0.38 0.07 -0.55 7.97 8.08 2dgaA1 TRP 144 HA 0.29 0.12 0.97 -0.75 4.62 5.24 2dgaA1 TRP 144 HB2 0.27 0.11 -0.03 -0.04 3.23 3.54 2dgaA1 TRP 144 HB3 -0.30 0.16 0.26 -0.04 3.23 3.30 2dgaA1 TRP 144 HD1 0.84 0.10 -0.07 -0.04 7.22 8.05 2dgaA1 TRP 144 HE1 0.54 -0.03 -0.17 -0.04 10.20 10.49 2dgaA1 TRP 144 HE3 0.15 -0.06 0.05 -0.04 7.59 7.68 2dgaA1 TRP 144 HZ2 -0.57 0.07 -0.03 -0.04 7.44 6.87 2dgaA1 TRP 144 HZ3 -0.18 0.16 -0.03 -0.04 7.13 7.04 2dgaA1 TRP 144 HH2 -2.50 0.08 -0.01 -0.04 7.19 4.72 2dgaA1 HIS 145 H -0.20 0.11 0.04 -0.55 8.41 7.81 2dgaA1 HIS 145 HA -0.53 0.25 0.85 -0.75 4.63 4.45 2dgaA1 HIS 145 HB2 -0.13 0.09 -0.17 -0.04 3.26 3.02 2dgaA1 HIS 145 HB3 -0.17 -0.15 0.18 -0.04 3.20 3.02 2dgaA1 HIS 145 HD2 -0.12 0.11 -0.10 -0.04 6.97 6.81 2dgaA1 HIS 145 HE1 -0.89 0.02 -0.12 -0.04 7.75 6.72 2dgaA1 TRP 146 H -2.76 0.27 -0.08 -0.55 7.97 4.85 2dgaA1 TRP 146 HA -1.56 0.11 0.31 -0.75 4.62 2.73 2dgaA1 TRP 146 HB2 -0.50 0.15 0.13 -0.04 3.23 2.96 2dgaA1 TRP 146 HB3 -0.12 0.04 0.16 -0.04 3.23 3.27 2dgaA1 TRP 146 HD1 -1.26 -0.04 -0.00 -0.04 7.22 5.88 2dgaA1 TRP 146 HE1 -0.29 0.41 -0.01 -0.04 10.20 10.27 2dgaA1 TRP 146 HE3 -2.31 -0.04 -0.05 -0.04 7.59 5.15 2dgaA1 TRP 146 HZ2 -0.23 -0.02 -0.08 -0.04 7.44 7.08 2dgaA1 TRP 146 HZ3 -2.18 -0.03 -0.08 -0.04 7.13 4.81 2dgaA1 TRP 146 HH2 -0.23 0.02 -0.10 -0.04 7.19 6.83 2dgaA1 ASP 147 H -0.60 -0.08 -0.71 -0.55 8.40 6.46 2dgaA1 ASP 147 HA 0.23 0.05 0.37 -0.75 4.63 4.53 2dgaA1 ASP 147 HB2 -0.02 -0.17 0.04 -0.04 2.71 2.53 2dgaA1 ASP 147 HB3 0.27 -0.00 0.25 -0.04 2.70 3.18 2dgaA1 THR 148 H 0.47 0.33 -0.23 -0.55 8.28 8.30 2dgaA1 THR 148 HA 0.32 0.16 0.35 -0.75 4.39 4.47 2dgaA1 THR 148 HB 0.32 -0.04 0.04 -0.04 4.32 4.59 2dgaA1 THR 148 HG23 -0.02 0.04 -0.08 -0.04 1.22 1.12 2dgaA1 PRO 149 HA -0.12 0.16 0.62 -0.51 4.44 4.59 2dgaA1 PRO 149 HB2 -0.49 -0.14 0.10 -0.04 2.28 1.71 2dgaA1 PRO 149 HB3 -0.30 0.24 0.07 -0.04 2.02 1.99 2dgaA1 PRO 149 HG2 -1.80 0.16 0.08 -0.04 2.03 0.42 2dgaA1 PRO 149 HG3 -0.64 -0.01 -0.06 -0.04 2.03 1.28 2dgaA1 PRO 149 HD2 -1.40 0.09 0.20 -0.04 3.68 2.54 2dgaA1 PRO 149 HD3 -0.80 0.13 0.23 -0.04 3.65 3.17 2dgaA1 GLN 150 H -0.04 0.68 0.33 -0.55 8.47 8.90 2dgaA1 GLN 150 HA -0.10 -0.01 0.29 -0.75 4.36 3.78 2dgaA1 GLN 150 HB2 0.01 -0.00 -0.36 -0.04 2.15 1.75 2dgaA1 GLN 150 HB3 -0.01 0.13 -0.05 -0.04 2.02 2.05 2dgaA1 GLN 150 HG2 -0.14 0.05 -0.07 -0.04 2.40 2.20 2dgaA1 GLN 150 HG3 -0.19 0.02 -0.10 -0.04 2.39 2.08 2dgaA1 GLN 150 HE21 -0.37 0.07 -0.07 -0.04 6.97 6.56 2dgaA1 GLN 150 HE22 -0.40 0.04 -0.05 -0.04 7.69 7.24 2dgaA1 ALA 151 H -0.13 0.19 -0.35 -0.55 8.40 7.56 2dgaA1 ALA 151 HA -0.11 0.10 0.38 -0.75 4.34 3.96 2dgaA1 ALA 151 HB3 -0.10 0.05 -0.00 -0.04 1.41 1.31 2dgaA1 LEU 152 H -0.28 0.31 -0.28 -0.55 8.37 7.57 2dgaA1 LEU 152 HA -0.53 0.13 0.51 -0.75 4.35 3.71 2dgaA1 LEU 152 HB2 -0.41 0.07 0.04 -0.04 1.64 1.31 2dgaA1 LEU 152 HB3 -0.55 -0.04 0.00 -0.04 1.64 1.01 2dgaA1 LEU 152 HG -0.39 -0.04 -0.01 -0.04 1.64 1.17 2dgaA1 LEU 152 HD13 -0.39 0.01 -0.04 -0.04 0.93 0.47 2dgaA1 LEU 152 HD23 -0.09 0.01 -0.09 -0.04 0.89 0.68 2dgaA1 GLU 153 H -0.22 0.28 -0.23 -0.55 8.60 7.88 2dgaA1 GLU 153 HA -0.12 -0.11 0.38 -0.75 4.29 3.69 2dgaA1 GLU 153 HB2 -0.13 0.01 0.13 -0.04 2.09 2.06 2dgaA1 GLU 153 HB3 -0.11 0.11 -0.10 -0.04 1.99 1.85 2dgaA1 GLU 153 HG2 0.01 -0.07 -0.10 -0.04 2.34 2.14 2dgaA1 GLU 153 HG3 -0.02 -0.00 -0.04 -0.04 2.34 2.23 2dgaA1 ASP 154 H -0.18 0.63 -0.13 -0.55 8.40 8.17 2dgaA1 ASP 154 HA -0.10 0.07 0.40 -0.75 4.63 4.24 2dgaA1 ASP 154 HB2 -0.11 0.07 0.13 -0.04 2.71 2.76 2dgaA1 ASP 154 HB3 -0.07 0.01 -0.02 -0.04 2.70 2.57 2dgaA1 LYS 155 H -0.22 0.38 -0.16 -0.55 8.42 7.87 2dgaA1 LYS 155 HA -0.05 0.07 0.40 -0.75 4.32 3.98 2dgaA1 LYS 155 HB2 -0.13 0.09 0.15 -0.04 1.87 1.94 2dgaA1 LYS 155 HB3 -0.39 -0.08 0.16 -0.04 1.79 1.43 2dgaA1 LYS 155 HG2 0.16 -0.01 -0.20 -0.04 1.46 1.37 2dgaA1 LYS 155 HG3 0.03 0.01 0.04 -0.04 1.46 1.49 2dgaA1 LYS 155 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 2dgaA1 LYS 155 HD3 0.11 -0.05 -0.04 -0.04 1.68 1.66 2dgaA1 LYS 155 HE2 0.14 -0.02 -0.04 -0.04 2.99 3.03 2dgaA1 LYS 155 HE3 0.06 0.02 -0.01 -0.04 2.99 3.01 2dgaA1 TYR 156 H -0.47 0.32 -0.07 -0.55 8.29 7.52 2dgaA1 TYR 156 HA -0.01 0.26 0.73 -0.75 4.56 4.78 2dgaA1 TYR 156 HB2 -0.02 -0.06 0.14 -0.04 3.06 3.08 2dgaA1 TYR 156 HB3 -0.02 0.09 -0.16 -0.04 2.98 2.85 2dgaA1 TYR 156 HD2 -0.04 0.05 -0.27 -0.04 7.15 6.86 2dgaA1 TYR 156 HE2 -0.08 0.05 -0.09 -0.04 6.85 6.68 2dgaA1 GLY 157 H -0.08 0.43 0.04 -0.55 8.43 8.27 2dgaA1 GLY 157 HA2 0.05 0.12 0.36 -0.51 4.01 4.03 2dgaA1 GLY 157 HA3 0.11 0.14 0.60 -0.51 4.01 4.35 2dgaA1 GLY 158 H -0.19 0.33 -0.08 -0.55 8.43 7.94 2dgaA1 GLY 158 HA2 -0.05 0.02 0.09 -0.51 4.01 3.55 2dgaA1 GLY 158 HA3 0.12 -0.04 0.26 -0.51 4.01 3.84 2dgaA1 PHE 159 H 0.48 0.10 0.16 -0.55 8.34 8.52 2dgaA1 PHE 159 HA 0.15 0.10 0.40 -0.75 4.62 4.51 2dgaA1 PHE 159 HB2 0.35 -0.01 0.11 -0.04 3.15 3.56 2dgaA1 PHE 159 HB3 0.16 0.07 0.14 -0.04 3.06 3.39 2dgaA1 PHE 159 HD2 0.13 0.01 -0.02 -0.04 7.28 7.36 2dgaA1 PHE 159 HE2 -0.03 -0.02 -0.08 -0.04 7.38 7.21 2dgaA1 PHE 159 HZ -0.35 0.02 -0.05 -0.04 7.32 6.90 2dgaA1 LEU 160 H 0.21 0.48 -0.52 -0.55 8.37 7.99 2dgaA1 LEU 160 HA 0.13 0.09 0.59 -0.75 4.35 4.41 2dgaA1 LEU 160 HB2 0.11 0.16 0.07 -0.04 1.64 1.94 2dgaA1 LEU 160 HB3 0.05 -0.02 0.11 -0.04 1.64 1.73 2dgaA1 LEU 160 HG -0.06 -0.04 -0.01 -0.04 1.64 1.49 2dgaA1 LEU 160 HD13 0.08 -0.00 0.03 -0.04 0.93 1.00 2dgaA1 LEU 160 HD23 -0.44 -0.01 -0.00 -0.04 0.89 0.40 2dgaA1 ASN 161 H 0.08 0.41 -0.27 -0.55 8.53 8.21 2dgaA1 ASN 161 HA -0.02 0.21 0.96 -0.75 4.76 5.16 2dgaA1 ASN 161 HB2 0.10 0.40 -0.02 -0.04 2.88 3.32 2dgaA1 ASN 161 HB3 -0.19 -0.11 -0.02 -0.04 2.79 2.43 2dgaA1 ASN 161 HD21 -0.05 -0.02 0.05 -0.04 7.03 6.97 2dgaA1 ASN 161 HD22 0.01 0.14 0.05 -0.04 7.74 7.90 2dgaA1 ARG 162 H -0.21 0.24 0.13 -0.55 8.46 8.06 2dgaA1 ARG 162 HA -0.71 0.11 0.34 -0.75 4.34 3.32 2dgaA1 ARG 162 HB2 -0.12 0.01 0.10 -0.04 1.90 1.85 2dgaA1 ARG 162 HB3 -0.09 0.00 0.02 -0.04 1.80 1.69 2dgaA1 ARG 162 HG2 0.16 0.04 0.04 -0.04 1.67 1.86 2dgaA1 ARG 162 HG3 0.05 0.04 0.05 -0.04 1.67 1.77 2dgaA1 ARG 162 HD2 0.07 -0.01 0.02 -0.04 3.22 3.26 2dgaA1 ARG 162 HD3 0.14 -0.03 0.03 -0.04 3.22 3.32 2dgaA1 GLN 163 H -0.44 0.13 -0.39 -0.55 8.47 7.22 2dgaA1 GLN 163 HA -0.23 0.06 0.38 -0.75 4.36 3.82 2dgaA1 GLN 163 HB2 -0.48 0.04 0.04 -0.04 2.15 1.71 2dgaA1 GLN 163 HB3 -1.57 0.05 -0.05 -0.04 2.02 0.41 2dgaA1 GLN 163 HG2 -0.25 0.06 -0.04 -0.04 2.40 2.13 2dgaA1 GLN 163 HG3 -0.23 -0.05 -0.11 -0.04 2.39 1.96 2dgaA1 GLN 163 HE21 -0.01 0.04 0.00 -0.04 6.97 6.97 2dgaA1 GLN 163 HE22 0.02 -0.05 0.02 -0.04 7.69 7.63 2dgaA1 ILE 164 H -0.38 0.57 -0.38 -0.55 8.25 7.51 2dgaA1 ILE 164 HA 0.06 -0.02 0.28 -0.75 4.18 3.74 2dgaA1 ILE 164 HB -0.17 0.25 -0.09 -0.04 1.89 1.84 2dgaA1 ILE 164 HG12 -2.14 -0.04 -0.17 -0.04 1.49 -0.91 2dgaA1 ILE 164 HG13 -0.48 -0.03 -0.06 -0.04 1.21 0.61 2dgaA1 ILE 164 HG23 -0.25 0.04 -0.17 -0.04 0.93 0.51 2dgaA1 ILE 164 HD13 -0.15 -0.04 -0.12 -0.04 0.88 0.52 2dgaA1 VAL 165 H -0.13 0.47 -0.36 -0.55 8.24 7.67 2dgaA1 VAL 165 HA 0.10 0.05 0.38 -0.75 4.13 3.90 2dgaA1 VAL 165 HB -0.00 0.08 0.14 -0.04 2.12 2.29 2dgaA1 VAL 165 HG13 0.08 -0.00 -0.24 -0.04 0.97 0.76 2dgaA1 VAL 165 HG23 0.03 0.01 0.04 -0.04 0.95 0.99 2dgaA1 ASP 166 H 0.01 0.23 -0.05 -0.55 8.40 8.03 2dgaA1 ASP 166 HA 0.06 0.10 0.47 -0.75 4.63 4.51 2dgaA1 ASP 166 HB2 0.02 0.02 0.09 -0.04 2.71 2.79 2dgaA1 ASP 166 HB3 0.02 0.04 0.06 -0.04 2.70 2.79 2dgaA1 ASP 167 H 0.10 0.44 -0.17 -0.55 8.40 8.22 2dgaA1 ASP 167 HA 0.19 0.04 0.41 -0.75 4.63 4.51 2dgaA1 ASP 167 HB2 0.30 0.02 0.07 -0.04 2.71 3.06 2dgaA1 ASP 167 HB3 0.45 0.00 -0.05 -0.04 2.70 3.06 2dgaA1 TYR 168 H 0.31 0.63 -0.21 -0.55 8.29 8.48 2dgaA1 TYR 168 HA -0.40 -0.02 0.44 -0.75 4.56 3.82 2dgaA1 TYR 168 HB2 0.20 -0.05 0.11 -0.04 3.06 3.28 2dgaA1 TYR 168 HB3 0.10 0.18 0.18 -0.04 2.98 3.40 2dgaA1 TYR 168 HD2 -0.05 0.03 -0.09 -0.04 7.15 6.99 2dgaA1 TYR 168 HE2 -0.22 0.01 -0.07 -0.04 6.85 6.53 2dgaA1 LYS 169 H 0.12 0.47 -0.16 -0.55 8.42 8.30 2dgaA1 LYS 169 HA -0.15 0.01 0.40 -0.75 4.32 3.83 2dgaA1 LYS 169 HB2 0.08 0.04 0.11 -0.04 1.87 2.05 2dgaA1 LYS 169 HB3 0.03 0.12 0.21 -0.04 1.79 2.11 2dgaA1 LYS 169 HG2 -0.02 -0.03 -0.29 -0.04 1.46 1.09 2dgaA1 LYS 169 HG3 0.02 0.02 -0.10 -0.04 1.46 1.36 2dgaA1 LYS 169 HD2 0.04 -0.01 -0.06 -0.04 1.69 1.62 2dgaA1 LYS 169 HD3 0.03 -0.03 -0.02 -0.04 1.68 1.61 2dgaA1 LYS 169 HE2 0.03 -0.02 -0.06 -0.04 2.99 2.90 2dgaA1 LYS 169 HE3 0.04 0.06 -0.03 -0.04 2.99 3.02 2dgaA1 GLN 170 H -0.03 0.55 -0.18 -0.55 8.47 8.28 2dgaA1 GLN 170 HA -0.09 0.04 0.45 -0.75 4.36 4.01 2dgaA1 GLN 170 HB2 0.05 0.10 0.11 -0.04 2.15 2.37 2dgaA1 GLN 170 HB3 0.01 -0.05 0.07 -0.04 2.02 2.01 2dgaA1 GLN 170 HG2 0.03 0.38 0.10 -0.04 2.40 2.87 2dgaA1 GLN 170 HG3 0.04 -0.08 0.00 -0.04 2.39 2.32 2dgaA1 GLN 170 HE21 0.02 0.01 -0.05 -0.04 6.97 6.91 2dgaA1 GLN 170 HE22 0.02 0.00 -0.01 -0.04 7.69 7.66 2dgaA1 PHE 171 H -0.19 0.41 -0.24 -0.55 8.34 7.77 2dgaA1 PHE 171 HA -0.34 0.02 0.47 -0.75 4.62 4.02 2dgaA1 PHE 171 HB2 -0.93 0.06 0.15 -0.04 3.15 2.39 2dgaA1 PHE 171 HB3 -1.25 0.14 0.27 -0.04 3.06 2.17 2dgaA1 PHE 171 HD2 -1.02 -0.00 0.03 -0.04 7.28 6.24 2dgaA1 PHE 171 HE2 -0.08 0.02 -0.07 -0.04 7.38 7.21 2dgaA1 PHE 171 HZ -0.02 0.08 -0.12 -0.04 7.32 7.21 2dgaA1 ALA 172 H -0.93 0.72 0.02 -0.55 8.40 7.67 2dgaA1 ALA 172 HA -1.42 -0.04 0.41 -0.75 4.34 2.53 2dgaA1 ALA 172 HB3 -1.05 0.04 0.11 -0.04 1.41 0.47 2dgaA1 GLU 173 H -0.52 0.54 -0.24 -0.55 8.60 7.84 2dgaA1 GLU 173 HA -0.52 0.02 0.38 -0.75 4.29 3.41 2dgaA1 GLU 173 HB2 -0.11 0.05 0.09 -0.04 2.09 2.08 2dgaA1 GLU 173 HB3 -0.18 0.11 0.14 -0.04 1.99 2.02 2dgaA1 GLU 173 HG2 -0.08 -0.01 -0.19 -0.04 2.34 2.02 2dgaA1 GLU 173 HG3 -0.10 -0.03 0.02 -0.04 2.34 2.19 2dgaA1 VAL 174 H -0.35 0.46 -0.26 -0.55 8.24 7.54 2dgaA1 VAL 174 HA -0.19 -0.00 0.41 -0.75 4.13 3.60 2dgaA1 VAL 174 HB -0.11 0.17 0.17 -0.04 2.12 2.32 2dgaA1 VAL 174 HG13 -0.04 -0.03 -0.11 -0.04 0.97 0.75 2dgaA1 VAL 174 HG23 -0.03 0.07 0.07 -0.04 0.95 1.01 2dgaA1 CYS 175 H -0.62 0.46 -0.21 -0.55 8.50 7.58 2dgaA1 CYS 175 HA -0.12 -0.03 0.40 -0.75 4.58 4.08 2dgaA1 CYS 175 HB2 -0.94 0.20 0.18 -0.04 2.97 2.38 2dgaA1 CYS 175 HB3 0.04 -0.05 -0.02 -0.04 2.97 2.90 2dgaA1 PHE 176 H -0.95 0.61 -0.02 -0.55 8.34 7.43 2dgaA1 PHE 176 HA -0.36 0.02 0.39 -0.75 4.62 3.92 2dgaA1 PHE 176 HB2 -1.22 0.05 0.13 -0.04 3.15 2.07 2dgaA1 PHE 176 HB3 -0.73 0.03 0.03 -0.04 3.06 2.36 2dgaA1 PHE 176 HD2 -1.15 -0.03 -0.09 -0.04 7.28 5.96 2dgaA1 PHE 176 HE2 -1.03 -0.00 -0.07 -0.04 7.38 6.24 2dgaA1 PHE 176 HZ -0.57 -0.05 -0.09 -0.04 7.32 6.57 2dgaA1 LYS 177 H -0.36 0.68 -0.08 -0.55 8.42 8.10 2dgaA1 LYS 177 HA 0.01 0.05 0.39 -0.75 4.32 4.02 2dgaA1 LYS 177 HB2 -0.15 0.05 0.14 -0.04 1.87 1.87 2dgaA1 LYS 177 HB3 -0.03 -0.06 0.00 -0.04 1.79 1.66 2dgaA1 LYS 177 HG2 0.26 -0.01 0.02 -0.04 1.46 1.69 2dgaA1 LYS 177 HG3 -0.18 0.16 0.06 -0.04 1.46 1.46 2dgaA1 LYS 177 HD2 0.06 -0.03 -0.01 -0.04 1.69 1.68 2dgaA1 LYS 177 HD3 0.14 -0.03 -0.02 -0.04 1.68 1.73 2dgaA1 LYS 177 HE2 -0.05 0.00 -0.15 -0.04 2.99 2.75 2dgaA1 LYS 177 HE3 -0.05 0.01 -0.02 -0.04 2.99 2.88 2dgaA1 ASN 178 H -0.32 0.48 -0.15 -0.55 8.53 7.99 2dgaA1 ASN 178 HA -0.18 0.12 0.69 -0.75 4.76 4.63 2dgaA1 ASN 178 HB2 -1.06 0.10 0.13 -0.04 2.88 2.00 2dgaA1 ASN 178 HB3 -0.77 -0.07 0.02 -0.04 2.79 1.93 2dgaA1 ASN 178 HD21 -0.13 -0.10 0.01 -0.04 7.03 6.77 2dgaA1 ASN 178 HD22 -0.27 0.52 0.16 -0.04 7.74 8.11 2dgaA1 PHE 179 H -0.10 0.61 0.04 -0.55 8.34 8.34 2dgaA1 PHE 179 HA 0.10 0.20 1.05 -0.75 4.62 5.21 2dgaA1 PHE 179 HB2 0.38 0.10 0.01 -0.04 3.15 3.59 2dgaA1 PHE 179 HB3 0.07 -0.07 0.09 -0.04 3.06 3.10 2dgaA1 PHE 179 HD2 0.13 0.06 -0.08 -0.04 7.28 7.35 2dgaA1 PHE 179 HE2 0.07 0.02 -0.05 -0.04 7.38 7.38 2dgaA1 PHE 179 HZ 0.23 -0.06 -0.02 -0.04 7.32 7.42 2dgaA1 GLY 180 H 0.27 0.50 0.09 -0.55 8.43 8.74 2dgaA1 GLY 180 HA2 0.63 0.15 0.42 -0.51 4.01 4.69 2dgaA1 GLY 180 HA3 0.32 0.15 0.42 -0.51 4.01 4.39 2dgaA1 ASP 181 H 0.13 0.08 -0.49 -0.55 8.40 7.58 2dgaA1 ASP 181 HA 0.02 0.09 0.45 -0.75 4.63 4.43 2dgaA1 ASP 181 HB2 0.02 -0.02 0.04 -0.04 2.71 2.71 2dgaA1 ASP 181 HB3 0.04 -0.00 0.02 -0.04 2.70 2.72 2dgaA1 ARG 182 H 0.10 0.29 -0.17 -0.55 8.46 8.13 2dgaA1 ARG 182 HA 0.01 0.21 0.92 -0.75 4.34 4.73 2dgaA1 ARG 182 HB2 0.06 -0.02 0.07 -0.04 1.90 1.97 2dgaA1 ARG 182 HB3 0.01 -0.00 -0.02 -0.04 1.80 1.75 2dgaA1 ARG 182 HG2 0.02 -0.02 -0.05 -0.04 1.67 1.59 2dgaA1 ARG 182 HG3 0.02 0.11 -0.21 -0.04 1.67 1.55 2dgaA1 ARG 182 HD2 0.04 -0.02 -0.09 -0.04 3.22 3.11 2dgaA1 ARG 182 HD3 0.08 -0.06 -0.12 -0.04 3.22 3.07 2dgaA1 VAL 183 H 0.05 0.55 0.20 -0.55 8.24 8.49 2dgaA1 VAL 183 HA -0.27 0.12 0.70 -0.75 4.13 3.93 2dgaA1 VAL 183 HB -0.35 -0.01 -0.04 -0.04 2.12 1.68 2dgaA1 VAL 183 HG13 -1.50 -0.00 -0.13 -0.04 0.97 -0.71 2dgaA1 VAL 183 HG23 -0.26 -0.01 -0.01 -0.04 0.95 0.63 2dgaA1 LYS 184 H -0.31 0.20 0.21 -0.55 8.42 7.97 2dgaA1 LYS 184 HA 0.09 0.22 0.91 -0.75 4.32 4.78 2dgaA1 LYS 184 HB2 -0.11 0.01 0.04 -0.04 1.87 1.77 2dgaA1 LYS 184 HB3 -0.01 0.08 0.15 -0.04 1.79 1.97 2dgaA1 LYS 184 HG2 -0.04 0.11 -0.41 -0.04 1.46 1.07 2dgaA1 LYS 184 HG3 -0.02 -0.01 -0.11 -0.04 1.46 1.28 2dgaA1 LYS 184 HD2 0.04 -0.14 -0.19 -0.04 1.69 1.36 2dgaA1 LYS 184 HD3 0.08 0.24 -0.33 -0.04 1.68 1.63 2dgaA1 LYS 184 HE2 -0.01 0.08 -0.43 -0.04 2.99 2.59 2dgaA1 LYS 184 HE3 -0.03 -0.09 -0.13 -0.04 2.99 2.70 2dgaA1 ASN 185 H -0.74 0.15 0.07 -0.55 8.53 7.47 2dgaA1 ASN 185 HA -0.39 0.29 0.95 -0.75 4.76 4.87 2dgaA1 ASN 185 HB2 -1.45 0.02 0.13 -0.04 2.88 1.54 2dgaA1 ASN 185 HB3 -1.28 -0.04 -0.06 -0.04 2.79 1.37 2dgaA1 ASN 185 HD21 -0.21 0.09 -0.14 -0.04 7.03 6.73 2dgaA1 ASN 185 HD22 -0.56 -0.00 -0.11 -0.04 7.74 7.03 2dgaA1 TRP 186 H -0.22 0.67 0.33 -0.55 7.97 8.20 2dgaA1 TRP 186 HA -0.39 0.26 1.13 -0.75 4.62 4.87 2dgaA1 TRP 186 HB2 -0.41 -0.04 0.02 -0.04 3.23 2.76 2dgaA1 TRP 186 HB3 -0.22 -0.05 0.00 -0.04 3.23 2.92 2dgaA1 TRP 186 HD1 -0.40 0.19 -0.24 -0.04 7.22 6.72 2dgaA1 TRP 186 HE1 0.09 0.21 -0.16 -0.04 10.20 10.29 2dgaA1 TRP 186 HE3 -0.17 -0.01 -0.11 -0.04 7.59 7.26 2dgaA1 TRP 186 HZ2 0.16 0.09 -0.17 -0.04 7.44 7.48 2dgaA1 TRP 186 HZ3 -0.14 -0.09 -0.15 -0.04 7.13 6.72 2dgaA1 TRP 186 HH2 0.20 0.04 -0.25 -0.04 7.19 7.13 2dgaA1 PHE 187 H 0.14 0.67 0.31 -0.55 8.34 8.90 2dgaA1 PHE 187 HA 0.06 0.27 0.70 -0.75 4.62 4.89 2dgaA1 PHE 187 HB2 0.01 -0.08 -0.01 -0.04 3.15 3.03 2dgaA1 PHE 187 HB3 0.00 -0.08 -0.07 -0.04 3.06 2.87 2dgaA1 PHE 187 HD2 0.01 -0.05 -0.47 -0.04 7.28 6.72 2dgaA1 PHE 187 HE2 0.17 0.04 -0.37 -0.04 7.38 7.18 2dgaA1 PHE 187 HZ 0.01 0.05 -0.31 -0.04 7.32 7.02 2dgaA1 THR 188 H 0.21 0.78 0.39 -0.55 8.28 9.11 2dgaA1 THR 188 HA 0.05 0.02 0.55 -0.75 4.39 4.27 2dgaA1 THR 188 HB 0.23 -0.04 0.04 -0.04 4.32 4.51 2dgaA1 THR 188 HG23 0.15 0.05 0.06 -0.04 1.22 1.44 2dgaA1 PHE 189 H 0.23 0.18 0.17 -0.55 8.34 8.37 2dgaA1 PHE 189 HA 0.32 0.23 1.02 -0.75 4.62 5.43 2dgaA1 PHE 189 HB2 -0.16 0.01 0.01 -0.04 3.15 2.97 2dgaA1 PHE 189 HB3 -0.00 -0.01 -0.03 -0.04 3.06 2.98 2dgaA1 PHE 189 HD2 -0.49 -0.06 -0.07 -0.04 7.28 6.62 2dgaA1 PHE 189 HE2 -0.74 -0.02 -0.09 -0.04 7.38 6.49 2dgaA1 PHE 189 HZ -1.30 -0.01 -0.06 -0.04 7.32 5.91 2dgaA1 ASN 190 H 0.33 0.26 0.24 -0.55 8.53 8.81 2dgaA1 ASN 190 HA -0.14 0.20 1.03 -0.75 4.76 5.10 2dgaA1 ASN 190 HB2 -0.35 0.05 -0.02 -0.04 2.88 2.51 2dgaA1 ASN 190 HB3 -0.81 -0.11 0.19 -0.04 2.79 2.01 2dgaA1 ASN 190 HD21 -0.77 0.00 -0.19 -0.04 7.03 6.03 2dgaA1 ASN 190 HD22 -1.55 -0.08 -0.21 -0.04 7.74 5.86 2dgaA1 GLU 191 H -0.10 0.50 0.17 -0.55 8.60 8.62 2dgaA1 GLU 191 HA 0.00 -0.04 0.52 -0.75 4.29 4.03 2dgaA1 GLU 191 HB2 0.45 0.08 -0.07 -0.04 2.09 2.51 2dgaA1 GLU 191 HB3 0.18 -0.15 0.19 -0.04 1.99 2.17 2dgaA1 GLU 191 HG2 0.05 0.04 -0.07 -0.04 2.34 2.31 2dgaA1 GLU 191 HG3 -0.10 0.01 -0.17 -0.04 2.34 2.04 2dgaA1 PRO 192 HA -0.30 0.06 0.43 -0.51 4.44 4.12 2dgaA1 PRO 192 HB2 -2.84 0.10 -0.03 -0.04 2.28 -0.54 2dgaA1 PRO 192 HB3 -0.91 0.04 0.02 -0.04 2.02 1.13 2dgaA1 PRO 192 HG2 -0.76 -0.01 0.08 -0.04 2.03 1.30 2dgaA1 PRO 192 HG3 -0.65 0.14 -0.02 -0.04 2.03 1.45 2dgaA1 PRO 192 HD2 -0.22 0.14 0.23 -0.04 3.68 3.80 2dgaA1 PRO 192 HD3 -0.24 0.13 -0.24 -0.04 3.65 3.26 2dgaA1 HIS 193 H -0.18 0.14 -0.11 -0.55 8.41 7.71 2dgaA1 HIS 193 HA -0.45 0.11 0.45 -0.75 4.63 3.99 2dgaA1 HIS 193 HB2 0.14 0.12 0.15 -0.04 3.26 3.63 2dgaA1 HIS 193 HB3 0.04 -0.04 0.21 -0.04 3.20 3.37 2dgaA1 HIS 193 HD2 0.68 0.13 0.02 -0.04 6.97 7.75 2dgaA1 HIS 193 HE1 0.07 -0.03 -0.09 -0.04 7.75 7.65 2dgaA1 THR 194 H -0.02 0.06 -0.13 -0.55 8.28 7.64 2dgaA1 THR 194 HA -0.58 0.06 0.38 -0.75 4.39 3.50 2dgaA1 THR 194 HB 0.04 0.10 0.13 -0.04 4.32 4.55 2dgaA1 THR 194 HG23 -0.26 -0.01 -0.13 -0.04 1.22 0.78 2dgaA1 TYR 195 H -0.25 0.60 -0.09 -0.55 8.29 8.00 2dgaA1 TYR 195 HA -0.92 -0.04 0.38 -0.75 4.56 3.23 2dgaA1 TYR 195 HB2 -0.92 -0.00 0.11 -0.04 3.06 2.21 2dgaA1 TYR 195 HB3 -0.31 0.12 0.19 -0.04 2.98 2.94 2dgaA1 TYR 195 HD2 -0.44 0.03 -0.02 -0.04 7.15 6.68 2dgaA1 TYR 195 HE2 0.02 0.05 -0.02 -0.04 6.85 6.86 2dgaA1 CYS 196 H -0.27 0.69 -0.05 -0.55 8.50 8.33 2dgaA1 CYS 196 HA -0.23 0.01 0.45 -0.75 4.58 4.05 2dgaA1 CYS 196 HB2 -0.37 0.08 0.15 -0.04 2.97 2.79 2dgaA1 CYS 196 HB3 0.02 -0.05 0.07 -0.04 2.97 2.97 2dgaA1 CYS 197 H -0.40 0.61 -0.13 -0.55 8.50 8.04 2dgaA1 CYS 197 HA -0.12 0.01 0.52 -0.75 4.58 4.24 2dgaA1 CYS 197 HB2 -0.73 0.11 0.21 -0.04 2.97 2.53 2dgaA1 CYS 197 HB3 -0.37 -0.08 0.02 -0.04 2.97 2.50 2dgaA1 PHE 198 H -0.46 0.77 0.06 -0.55 8.34 8.16 2dgaA1 PHE 198 HA -0.34 0.00 0.76 -0.75 4.62 4.29 2dgaA1 PHE 198 HB2 -0.74 0.14 0.08 -0.04 3.15 2.59 2dgaA1 PHE 198 HB3 -0.97 -0.09 -0.01 -0.04 3.06 1.96 2dgaA1 PHE 198 HD2 -0.49 -0.04 -0.10 -0.04 7.28 6.61 2dgaA1 PHE 198 HE2 -0.26 0.01 -0.05 -0.04 7.38 7.04 2dgaA1 PHE 198 HZ -0.26 0.03 -0.04 -0.04 7.32 7.00 2dgaA1 SER 199 H -0.45 0.66 0.00 -0.55 8.46 8.13 2dgaA1 SER 199 HA -0.49 0.20 0.64 -0.75 4.49 4.09 2dgaA1 SER 199 HB2 -1.03 0.12 0.09 -0.04 3.95 3.09 2dgaA1 SER 199 HB3 -0.91 -0.00 -0.06 -0.04 3.93 2.92 2dgaA1 TYR 200 H -0.22 0.22 -0.08 -0.55 8.29 7.65 2dgaA1 TYR 200 HA -0.16 0.25 0.88 -0.75 4.56 4.78 2dgaA1 TYR 200 HB2 -0.19 0.13 -0.02 -0.04 3.06 2.93 2dgaA1 TYR 200 HB3 -0.11 -0.12 -0.10 -0.04 2.98 2.60 2dgaA1 TYR 200 HD2 -0.26 -0.01 -0.05 -0.04 7.15 6.79 2dgaA1 TYR 200 HE2 -0.08 -0.01 -0.05 -0.04 6.85 6.67 2dgaA1 GLY 201 H -0.10 0.05 -0.03 -0.55 8.43 7.80 2dgaA1 GLY 201 HA2 -0.04 0.06 0.97 -0.51 4.01 4.49 2dgaA1 GLY 201 HA3 -0.05 0.01 0.58 -0.51 4.01 4.04 2dgaA1 GLU 202 H -0.03 0.48 0.37 -0.55 8.60 8.88 2dgaA1 GLU 202 HA -0.05 0.11 0.60 -0.75 4.29 4.20 2dgaA1 GLU 202 HB2 -0.03 -0.10 0.14 -0.04 2.09 2.06 2dgaA1 GLU 202 HB3 -0.07 0.07 0.08 -0.04 1.99 2.03 2dgaA1 GLU 202 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2dgaA1 GLU 202 HG3 0.08 -0.00 0.07 -0.04 2.34 2.44 2dgaA1 GLY 203 H -0.14 -0.08 -0.30 -0.55 8.43 7.36 2dgaA1 GLY 203 HA2 -0.25 0.06 0.05 -0.51 4.01 3.35 2dgaA1 GLY 203 HA3 -0.15 0.08 -0.15 -0.51 4.01 3.29 2dgaA1 ILE 204 H -0.21 0.02 -0.09 -0.55 8.25 7.43 2dgaA1 ILE 204 HA -0.03 0.19 0.58 -0.75 4.18 4.17 2dgaA1 ILE 204 HB -0.10 -0.01 0.13 -0.04 1.89 1.88 2dgaA1 ILE 204 HG12 -0.53 -0.05 0.08 -0.04 1.49 0.95 2dgaA1 ILE 204 HG13 -0.70 -0.03 -0.19 -0.04 1.21 0.26 2dgaA1 ILE 204 HG23 -0.16 0.02 -0.04 -0.04 0.93 0.71 2dgaA1 ILE 204 HD13 -1.23 -0.01 -0.02 -0.04 0.88 -0.42 2dgaA1 HIS 205 H -0.26 0.44 -0.20 -0.55 8.41 7.85 2dgaA1 HIS 205 HA -0.39 0.15 0.84 -0.75 4.63 4.48 2dgaA1 HIS 205 HB2 -0.33 -0.05 -0.34 -0.04 3.26 2.51 2dgaA1 HIS 205 HB3 -0.12 0.03 -0.04 -0.04 3.20 3.02 2dgaA1 HIS 205 HD2 0.13 0.33 -0.37 -0.04 6.97 7.01 2dgaA1 HIS 205 HE1 0.04 0.00 -0.09 -0.04 7.75 7.66 2dgaA1 ALA 206 H -2.14 0.05 0.07 -0.55 8.40 5.83 2dgaA1 ALA 206 HA -1.36 0.11 0.26 -0.75 4.34 2.60 2dgaA1 ALA 206 HB3 -1.46 0.00 -0.05 -0.04 1.41 -0.14 2dgaA1 PRO 207 HA -0.31 0.00 0.33 -0.51 4.44 3.95 2dgaA1 PRO 207 HB2 -0.09 0.10 0.05 -0.04 2.28 2.30 2dgaA1 PRO 207 HB3 -0.09 -0.07 0.08 -0.04 2.02 1.90 2dgaA1 PRO 207 HG2 -0.46 0.11 0.00 -0.04 2.03 1.64 2dgaA1 PRO 207 HG3 -0.09 0.01 0.04 -0.04 2.03 1.94 2dgaA1 PRO 207 HD2 -0.77 0.15 0.32 -0.04 3.68 3.34 2dgaA1 PRO 207 HD3 -0.14 -0.04 0.18 -0.04 3.65 3.61 2dgaA1 GLY 208 H -0.62 0.48 0.26 -0.55 8.43 8.00 2dgaA1 GLY 208 HA2 -0.37 0.23 0.26 -0.51 4.01 3.63 2dgaA1 GLY 208 HA3 -0.14 -0.04 0.43 -0.51 4.01 3.75 2dgaA1 ARG 209 H -0.36 0.46 0.17 -0.55 8.46 8.18 2dgaA1 ARG 209 HA -0.10 0.38 0.92 -0.75 4.34 4.78 2dgaA1 ARG 209 HB2 -0.08 -0.02 0.11 -0.04 1.90 1.87 2dgaA1 ARG 209 HB3 0.01 -0.07 0.05 -0.04 1.80 1.75 2dgaA1 ARG 209 HG2 -0.03 0.09 -0.09 -0.04 1.67 1.61 2dgaA1 ARG 209 HG3 -0.14 -0.07 -0.32 -0.04 1.67 1.10 2dgaA1 ARG 209 HD2 0.07 -0.01 -0.06 -0.04 3.22 3.19 2dgaA1 ARG 209 HD3 0.21 -0.05 -0.03 -0.04 3.22 3.31 2dgaA1 CYS 210 H -0.05 0.41 0.22 -0.55 8.50 8.53 2dgaA1 CYS 210 HA -0.04 0.19 0.31 -0.75 4.58 4.29 2dgaA1 CYS 210 HB2 -0.05 -0.03 -0.03 -0.04 2.97 2.82 2dgaA1 CYS 210 HB3 -0.08 0.10 -0.78 -0.04 2.97 2.17 2dgaA1 SER 211 H -0.03 0.15 0.10 -0.55 8.46 8.13 2dgaA1 SER 211 HA -0.02 0.22 0.19 -0.75 4.49 4.12 2dgaA1 SER 211 HB2 -0.03 0.03 0.10 -0.04 3.95 4.00 2dgaA1 SER 211 HB3 -0.03 0.20 0.10 -0.04 3.93 4.16 2dgaA1 PRO 212 HA -0.02 0.26 0.58 -0.51 4.44 4.75 2dgaA1 PRO 212 HB2 -0.02 -0.05 0.10 -0.04 2.28 2.27 2dgaA1 PRO 212 HB3 -0.02 0.02 0.18 -0.04 2.02 2.16 2dgaA1 PRO 212 HG2 -0.01 -0.01 0.13 -0.04 2.03 2.09 2dgaA1 PRO 212 HG3 -0.01 0.15 0.19 -0.04 2.03 2.32 2dgaA1 PRO 212 HD2 -0.02 0.02 0.23 -0.04 3.68 3.86 2dgaA1 PRO 212 HD3 -0.01 0.31 0.15 -0.04 3.65 4.05 2dgaA1 GLY 213 H -0.02 0.19 0.22 -0.55 8.43 8.27 2dgaA1 GLY 213 HA2 -0.02 -0.03 0.38 -0.51 4.01 3.83 2dgaA1 GLY 213 HA3 -0.03 0.12 0.68 -0.51 4.01 4.27 2dgaA1 MET 214 H -0.03 0.47 -0.33 -0.55 8.47 8.03 2dgaA1 MET 214 HA -0.03 0.09 0.66 -0.75 4.52 4.49 2dgaA1 MET 214 HB2 -0.04 0.12 -0.07 -0.04 2.15 2.12 2dgaA1 MET 214 HB3 -0.04 -0.03 -0.03 -0.04 2.03 1.89 2dgaA1 MET 214 HG2 -0.04 -0.02 -0.05 -0.04 2.63 2.48 2dgaA1 MET 214 HG3 -0.04 0.08 -0.16 -0.04 2.56 2.41 2dgaA1 MET 214 HE3 -0.04 -0.01 -0.00 -0.04 2.10 2.01 2dgaA1 ASP 215 H -0.04 0.10 0.07 -0.55 8.40 7.99 2dgaA1 ASP 215 HA -0.04 0.19 0.78 -0.75 4.63 4.81 2dgaA1 ASP 215 HB2 -0.03 0.01 0.04 -0.04 2.71 2.69 2dgaA1 ASP 215 HB3 -0.04 -0.05 0.20 -0.04 2.70 2.77 2dgaA1 CYS 216 H -0.06 0.45 0.09 -0.55 8.50 8.42 2dgaA1 CYS 216 HA -0.06 0.10 0.46 -0.75 4.58 4.33 2dgaA1 CYS 216 HB2 -0.09 0.15 -0.05 -0.04 2.97 2.93 2dgaA1 CYS 216 HB3 -0.08 0.20 -0.37 -0.04 2.97 2.68 2dgaA1 ALA 217 H -0.11 0.21 0.12 -0.55 8.40 8.08 2dgaA1 ALA 217 HA -0.33 0.01 0.40 -0.75 4.34 3.66 2dgaA1 ALA 217 HB3 -0.89 0.01 0.13 -0.04 1.41 0.62 2dgaA1 VAL 218 H -0.18 0.62 -0.02 -0.55 8.24 8.12 2dgaA1 VAL 218 HA -0.09 0.24 0.95 -0.75 4.13 4.47 2dgaA1 VAL 218 HB -0.06 0.02 -0.08 -0.04 2.12 1.96 2dgaA1 VAL 218 HG13 -0.08 0.01 -0.06 -0.04 0.97 0.80 2dgaA1 VAL 218 HG23 0.00 -0.06 -0.05 -0.04 0.95 0.80 2dgaA1 PRO 219 HA -0.04 0.13 0.39 -0.51 4.44 4.40 2dgaA1 PRO 219 HB2 -0.03 -0.18 0.20 -0.04 2.28 2.23 2dgaA1 PRO 219 HB3 -0.05 0.16 0.02 -0.04 2.02 2.11 2dgaA1 PRO 219 HG2 -0.03 -0.04 0.04 -0.04 2.03 1.96 2dgaA1 PRO 219 HG3 -0.04 0.06 0.07 -0.04 2.03 2.09 2dgaA1 PRO 219 HD2 -0.05 0.12 0.08 -0.04 3.68 3.79 2dgaA1 PRO 219 HD3 -0.08 0.43 -0.27 -0.04 3.65 3.68 2dgaA1 GLU 220 H -0.02 0.38 -0.28 -0.55 8.60 8.13 2dgaA1 GLU 220 HA -0.01 0.19 0.88 -0.75 4.29 4.60 2dgaA1 GLU 220 HB2 0.00 -0.02 0.19 -0.04 2.09 2.23 2dgaA1 GLU 220 HB3 -0.00 0.02 -0.08 -0.04 1.99 1.88 2dgaA1 GLU 220 HG2 -0.00 -0.02 -0.17 -0.04 2.34 2.11 2dgaA1 GLU 220 HG3 0.01 -0.01 -0.08 -0.04 2.34 2.23 2dgaA1 GLY 221 H -0.01 0.55 0.04 -0.55 8.43 8.47 2dgaA1 GLY 221 HA2 0.02 0.20 0.80 -0.51 4.01 4.52 2dgaA1 GLY 221 HA3 0.03 -0.08 0.29 -0.51 4.01 3.74 2dgaA1 ASP 222 H 0.02 0.20 -0.04 -0.55 8.40 8.03 2dgaA1 ASP 222 HA -0.01 0.16 0.66 -0.75 4.63 4.68 2dgaA1 ASP 222 HB2 -0.00 0.22 -0.17 -0.04 2.71 2.71 2dgaA1 ASP 222 HB3 -0.00 -0.16 0.20 -0.04 2.70 2.69 2dgaA1 SER 223 H -0.02 0.22 0.18 -0.55 8.46 8.29 2dgaA1 SER 223 HA -0.03 0.31 0.63 -0.75 4.49 4.65 2dgaA1 SER 223 HB2 -0.04 0.26 0.29 -0.04 3.95 4.42 2dgaA1 SER 223 HB3 -0.04 -0.20 0.38 -0.04 3.93 4.02 2dgaA1 LEU 224 H -0.01 0.05 -0.39 -0.55 8.37 7.46 2dgaA1 LEU 224 HA 0.03 0.12 0.72 -0.75 4.35 4.46 2dgaA1 LEU 224 HB2 -0.00 -0.01 -0.05 -0.04 1.64 1.54 2dgaA1 LEU 224 HB3 0.03 0.07 0.02 -0.04 1.64 1.71 2dgaA1 LEU 224 HG -0.03 0.07 -0.25 -0.04 1.64 1.38 2dgaA1 LEU 224 HD13 -0.05 0.08 -0.12 -0.04 0.93 0.81 2dgaA1 LEU 224 HD23 -0.02 -0.06 -0.62 -0.04 0.89 0.15 2dgaA1 ARG 225 H -0.00 0.26 -0.12 -0.55 8.46 8.04 2dgaA1 ARG 225 HA 0.15 0.31 1.04 -0.75 4.34 5.08 2dgaA1 ARG 225 HB2 -0.00 -0.05 0.09 -0.04 1.90 1.90 2dgaA1 ARG 225 HB3 0.00 0.03 0.02 -0.04 1.80 1.81 2dgaA1 ARG 225 HG2 0.01 0.14 -0.07 -0.04 1.67 1.72 2dgaA1 ARG 225 HG3 0.01 -0.13 -0.39 -0.04 1.67 1.11 2dgaA1 ARG 225 HD2 -0.01 -0.02 -0.04 -0.04 3.22 3.10 2dgaA1 ARG 225 HD3 -0.02 0.03 -0.03 -0.04 3.22 3.16 2dgaA1 GLU 226 H -0.02 0.48 0.30 -0.55 8.60 8.82 2dgaA1 GLU 226 HA -0.11 0.05 0.46 -0.75 4.29 3.93 2dgaA1 GLU 226 HB2 0.02 0.15 0.13 -0.04 2.09 2.35 2dgaA1 GLU 226 HB3 -0.21 -0.03 0.08 -0.04 1.99 1.79 2dgaA1 GLU 226 HG2 -0.03 0.04 0.09 -0.04 2.34 2.39 2dgaA1 GLU 226 HG3 0.00 -0.02 0.20 -0.04 2.34 2.48 2dgaA1 PRO 227 HA -0.06 0.02 0.43 -0.51 4.44 4.33 2dgaA1 PRO 227 HB2 -0.47 0.06 -0.11 -0.04 2.28 1.72 2dgaA1 PRO 227 HB3 0.00 -0.02 -0.14 -0.04 2.02 1.83 2dgaA1 PRO 227 HG2 -0.12 0.12 0.01 -0.04 2.03 1.99 2dgaA1 PRO 227 HG3 -0.02 -0.01 -0.36 -0.04 2.03 1.59 2dgaA1 PRO 227 HD2 -0.15 0.04 -0.36 -0.04 3.68 3.17 2dgaA1 PRO 227 HD3 -0.04 0.23 0.07 -0.04 3.65 3.87 2dgaA1 TYR 228 H -0.20 0.28 -0.36 -0.55 8.29 7.47 2dgaA1 TYR 228 HA 0.32 0.01 0.46 -0.75 4.56 4.59 2dgaA1 TYR 228 HB2 -0.10 0.26 0.18 -0.04 3.06 3.36 2dgaA1 TYR 228 HB3 -0.16 -0.02 0.12 -0.04 2.98 2.88 2dgaA1 TYR 228 HD2 -0.32 0.08 -0.04 -0.04 7.15 6.84 2dgaA1 TYR 228 HE2 -0.76 0.02 -0.05 -0.04 6.85 6.03 2dgaA1 THR 229 H 0.01 0.45 -0.05 -0.55 8.28 8.14 2dgaA1 THR 229 HA -0.12 0.05 0.46 -0.75 4.39 4.03 2dgaA1 THR 229 HB -0.10 -0.00 0.19 -0.04 4.32 4.37 2dgaA1 THR 229 HG23 -0.05 0.01 -0.03 -0.04 1.22 1.10 2dgaA1 ALA 230 H -0.13 0.60 -0.08 -0.55 8.40 8.24 2dgaA1 ALA 230 HA 0.13 0.31 0.40 -0.75 4.34 4.43 2dgaA1 ALA 230 HB3 -0.18 -0.01 0.04 -0.04 1.41 1.21 2dgaA1 GLY 231 H 0.16 0.53 -0.19 -0.55 8.43 8.38 2dgaA1 GLY 231 HA2 0.16 -0.07 0.38 -0.51 4.01 3.97 2dgaA1 GLY 231 HA3 0.40 0.10 0.28 -0.51 4.01 4.29 2dgaA1 HIS 232 H 0.23 0.57 -0.28 -0.55 8.41 8.39 2dgaA1 HIS 232 HA 0.27 0.03 0.39 -0.75 4.63 4.57 2dgaA1 HIS 232 HB2 0.01 0.21 0.17 -0.04 3.26 3.61 2dgaA1 HIS 232 HB3 -0.23 0.06 0.10 -0.04 3.20 3.09 2dgaA1 HIS 232 HD2 -0.05 -0.04 -0.14 -0.04 6.97 6.70 2dgaA1 HIS 232 HE1 -1.45 -0.00 -0.57 -0.04 7.75 5.68 2dgaA1 HIS 233 H 0.02 0.56 -0.16 -0.55 8.41 8.28 2dgaA1 HIS 233 HA 0.10 -0.02 0.42 -0.75 4.63 4.37 2dgaA1 HIS 233 HB2 0.21 0.22 0.15 -0.04 3.26 3.80 2dgaA1 HIS 233 HB3 0.11 -0.16 -0.04 -0.04 3.20 3.07 2dgaA1 HIS 233 HD2 0.13 -0.05 -0.09 -0.04 6.97 6.90 2dgaA1 HIS 233 HE1 0.03 0.12 -0.29 -0.04 7.75 7.56 2dgaA1 ILE 234 H 0.06 0.53 -0.21 -0.55 8.25 8.08 2dgaA1 ILE 234 HA -0.52 -0.04 0.40 -0.75 4.18 3.26 2dgaA1 ILE 234 HB -0.27 0.20 0.18 -0.04 1.89 1.96 2dgaA1 ILE 234 HG12 -1.34 -0.11 0.01 -0.04 1.49 0.02 2dgaA1 ILE 234 HG13 -0.44 0.21 0.04 -0.04 1.21 0.99 2dgaA1 ILE 234 HG23 -1.34 -0.03 -0.17 -0.04 0.93 -0.64 2dgaA1 ILE 234 HD13 -0.58 -0.04 -0.05 -0.04 0.88 0.17 2dgaA1 LEU 235 H 0.03 0.60 -0.15 -0.55 8.37 8.31 2dgaA1 LEU 235 HA -0.03 0.00 0.40 -0.75 4.35 3.97 2dgaA1 LEU 235 HB2 0.16 0.14 0.14 -0.04 1.64 2.04 2dgaA1 LEU 235 HB3 0.01 0.00 -0.04 -0.04 1.64 1.57 2dgaA1 LEU 235 HG 0.34 -0.02 0.04 -0.04 1.64 1.96 2dgaA1 LEU 235 HD13 0.22 0.01 -0.04 -0.04 0.93 1.09 2dgaA1 LEU 235 HD23 0.11 -0.01 0.00 -0.04 0.89 0.95 2dgaA1 LEU 236 H 0.05 0.53 -0.15 -0.55 8.37 8.26 2dgaA1 LEU 236 HA 0.05 0.06 0.43 -0.75 4.35 4.14 2dgaA1 LEU 236 HB2 0.15 0.04 0.14 -0.04 1.64 1.92 2dgaA1 LEU 236 HB3 0.11 -0.08 0.02 -0.04 1.64 1.65 2dgaA1 LEU 236 HG -0.02 0.27 0.05 -0.04 1.64 1.90 2dgaA1 LEU 236 HD13 0.26 -0.03 -0.05 -0.04 0.93 1.08 2dgaA1 LEU 236 HD23 0.16 -0.01 -0.02 -0.04 0.89 0.98 2dgaA1 ALA 237 H 0.04 0.65 -0.17 -0.55 8.40 8.37 2dgaA1 ALA 237 HA 0.16 0.00 0.48 -0.75 4.34 4.23 2dgaA1 ALA 237 HB3 0.08 -0.00 0.09 -0.04 1.41 1.53 2dgaA1 HIS 238 H 0.07 0.62 -0.14 -0.55 8.41 8.41 2dgaA1 HIS 238 HA 0.31 -0.06 0.41 -0.75 4.63 4.53 2dgaA1 HIS 238 HB2 0.05 -0.10 0.08 -0.04 3.26 3.25 2dgaA1 HIS 238 HB3 -0.03 0.18 0.19 -0.04 3.20 3.50 2dgaA1 HIS 238 HD2 0.02 0.08 -0.12 -0.04 6.97 6.91 2dgaA1 HIS 238 HE1 0.08 -0.01 -0.15 -0.04 7.75 7.62 2dgaA1 ALA 239 H 0.10 0.57 -0.17 -0.55 8.40 8.36 2dgaA1 ALA 239 HA -0.11 0.13 0.33 -0.75 4.34 3.94 2dgaA1 ALA 239 HB3 0.00 0.02 0.00 -0.04 1.41 1.39 2dgaA1 GLU 240 H 0.06 0.48 -0.20 -0.55 8.60 8.39 2dgaA1 GLU 240 HA 0.03 0.04 0.47 -0.75 4.29 4.07 2dgaA1 GLU 240 HB2 0.10 0.09 0.16 -0.04 2.09 2.39 2dgaA1 GLU 240 HB3 0.06 -0.08 0.01 -0.04 1.99 1.94 2dgaA1 GLU 240 HG2 0.06 0.23 0.06 -0.04 2.34 2.64 2dgaA1 GLU 240 HG3 0.06 -0.11 -0.04 -0.04 2.34 2.21 2dgaA1 ALA 241 H 0.11 0.62 -0.08 -0.55 8.40 8.50 2dgaA1 ALA 241 HA 0.08 -0.01 0.47 -0.75 4.34 4.13 2dgaA1 ALA 241 HB3 0.15 0.00 0.10 -0.04 1.41 1.62 2dgaA1 VAL 242 H -0.10 0.66 -0.08 -0.55 8.24 8.17 2dgaA1 VAL 242 HA -0.03 -0.03 0.46 -0.75 4.13 3.77 2dgaA1 VAL 242 HB -0.19 0.12 0.15 -0.04 2.12 2.16 2dgaA1 VAL 242 HG13 -0.02 0.03 -0.03 -0.04 0.97 0.91 2dgaA1 VAL 242 HG23 -0.39 0.02 0.05 -0.04 0.95 0.59 2dgaA1 GLN 243 H -0.01 0.51 -0.15 -0.55 8.47 8.27 2dgaA1 GLN 243 HA 0.00 0.07 0.40 -0.75 4.36 4.08 2dgaA1 GLN 243 HB2 -0.00 0.12 0.15 -0.04 2.15 2.38 2dgaA1 GLN 243 HB3 0.01 0.05 0.17 -0.04 2.02 2.21 2dgaA1 GLN 243 HG2 0.00 -0.05 -0.20 -0.04 2.40 2.11 2dgaA1 GLN 243 HG3 -0.00 0.01 0.03 -0.04 2.39 2.39 2dgaA1 GLN 243 HE21 0.00 -0.07 -0.03 -0.04 6.97 6.84 2dgaA1 GLN 243 HE22 -0.00 0.04 -0.02 -0.04 7.69 7.67 2dgaA1 LEU 244 H 0.06 0.48 -0.21 -0.55 8.37 8.15 2dgaA1 LEU 244 HA 0.03 -0.00 0.41 -0.75 4.35 4.04 2dgaA1 LEU 244 HB2 0.08 -0.01 0.11 -0.04 1.64 1.78 2dgaA1 LEU 244 HB3 0.16 0.14 0.16 -0.04 1.64 2.06 2dgaA1 LEU 244 HG 0.38 -0.00 -0.25 -0.04 1.64 1.73 2dgaA1 LEU 244 HD13 0.11 -0.02 0.02 -0.04 0.93 0.99 2dgaA1 LEU 244 HD23 0.12 -0.02 -0.03 -0.04 0.89 0.93 2dgaA1 PHE 245 H 0.14 0.57 -0.16 -0.55 8.34 8.33 2dgaA1 PHE 245 HA -0.27 -0.06 0.37 -0.75 4.62 3.90 2dgaA1 PHE 245 HB2 -0.61 0.02 0.09 -0.04 3.15 2.62 2dgaA1 PHE 245 HB3 -0.27 0.15 0.17 -0.04 3.06 3.07 2dgaA1 PHE 245 HD2 -1.40 -0.00 -0.12 -0.04 7.28 5.72 2dgaA1 PHE 245 HE2 -0.38 0.03 -0.21 -0.04 7.38 6.79 2dgaA1 PHE 245 HZ 0.02 -0.01 -0.15 -0.04 7.32 7.14 2dgaA1 LYS 246 H 0.04 0.72 -0.07 -0.55 8.42 8.55 2dgaA1 LYS 246 HA -0.20 0.02 0.33 -0.75 4.32 3.72 2dgaA1 LYS 246 HB2 -0.01 0.07 0.08 -0.04 1.87 1.97 2dgaA1 LYS 246 HB3 -0.03 -0.03 0.03 -0.04 1.79 1.72 2dgaA1 LYS 246 HG2 0.09 -0.05 0.00 -0.04 1.46 1.47 2dgaA1 LYS 246 HG3 0.11 0.13 0.07 -0.04 1.46 1.73 2dgaA1 LYS 246 HD2 0.05 0.04 -0.02 -0.04 1.69 1.72 2dgaA1 LYS 246 HD3 0.02 0.00 -0.04 -0.04 1.68 1.62 2dgaA1 LYS 246 HE2 0.00 -0.05 -0.01 -0.04 2.99 2.90 2dgaA1 LYS 246 HE3 0.03 -0.02 0.01 -0.04 2.99 2.97 2dgaA1 ALA 247 H -0.08 0.35 -0.38 -0.55 8.40 7.74 2dgaA1 ALA 247 HA -0.10 0.09 0.57 -0.75 4.34 4.14 2dgaA1 ALA 247 HB3 -0.07 -0.02 0.09 -0.04 1.41 1.37 2dgaA1 ARG 248 H -0.23 0.55 0.04 -0.55 8.46 8.27 2dgaA1 ARG 248 HA -0.32 0.23 1.09 -0.75 4.34 4.59 2dgaA1 ARG 248 HB2 -0.77 0.03 0.01 -0.04 1.90 1.13 2dgaA1 ARG 248 HB3 -0.57 -0.06 0.10 -0.04 1.80 1.23 2dgaA1 ARG 248 HG2 -0.18 0.08 -0.27 -0.04 1.67 1.25 2dgaA1 ARG 248 HG3 -0.16 0.02 -0.11 -0.04 1.67 1.38 2dgaA1 ARG 248 HD2 -0.08 -0.04 -0.04 -0.04 3.22 3.02 2dgaA1 ARG 248 HD3 -0.11 -0.02 -0.02 -0.04 3.22 3.03 2dgaA1 TYR 249 H -0.41 0.59 0.13 -0.55 8.29 8.05 2dgaA1 TYR 249 HA -0.24 0.18 1.03 -0.75 4.56 4.78 2dgaA1 TYR 249 HB2 -0.79 0.01 0.14 -0.04 3.06 2.39 2dgaA1 TYR 249 HB3 -0.41 -0.00 0.18 -0.04 2.98 2.71 2dgaA1 TYR 249 HD2 -0.08 0.06 -0.15 -0.04 7.15 6.94 2dgaA1 TYR 249 HE2 0.01 -0.02 -0.08 -0.04 6.85 6.72 2dgaA1 ASN 250 H -0.34 0.20 -0.26 -0.55 8.53 7.58 2dgaA1 ASN 250 HA -0.25 0.10 0.64 -0.75 4.76 4.51 2dgaA1 ASN 250 HB2 -0.85 0.07 -0.23 -0.04 2.88 1.83 2dgaA1 ASN 250 HB3 -0.32 0.15 0.06 -0.04 2.79 2.64 2dgaA1 ASN 250 HD21 0.00 0.10 0.03 -0.04 7.03 7.12 2dgaA1 ASN 250 HD22 -0.07 0.06 0.05 -0.04 7.74 7.74 2dgaA1 MET 251 H -0.09 0.20 -0.09 -0.55 8.47 7.94 2dgaA1 MET 251 HA -0.11 0.16 0.36 -0.75 4.52 4.18 2dgaA1 MET 251 HB2 0.04 -0.02 0.02 -0.04 2.15 2.16 2dgaA1 MET 251 HB3 -0.12 0.01 0.04 -0.04 2.03 1.92 2dgaA1 MET 251 HG2 -0.13 0.04 -0.04 -0.04 2.63 2.46 2dgaA1 MET 251 HG3 -0.09 -0.01 0.03 -0.04 2.56 2.45 2dgaA1 MET 251 HE3 -0.20 0.11 -0.46 -0.04 2.10 1.51 2dgaA1 HIS 252 H 0.20 0.05 -0.29 -0.55 8.41 7.83 2dgaA1 HIS 252 HA -0.03 0.17 0.65 -0.75 4.63 4.67 2dgaA1 HIS 252 HB2 -0.02 -0.03 -0.01 -0.04 3.26 3.17 2dgaA1 HIS 252 HB3 -0.01 0.05 0.07 -0.04 3.20 3.27 2dgaA1 HIS 252 HD2 -0.00 0.01 -0.00 -0.04 6.97 6.93 2dgaA1 HIS 252 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.63 2dgaA1 GLY 253 H 0.00 0.30 -0.44 -0.55 8.43 7.74 2dgaA1 GLY 253 HA2 -0.01 0.11 0.33 -0.51 4.01 3.93 2dgaA1 GLY 253 HA3 0.01 0.07 0.36 -0.51 4.01 3.93 2dgaA1 ASP 254 H 0.06 -0.07 -0.36 -0.55 8.40 7.49 2dgaA1 ASP 254 HA 0.05 0.25 0.87 -0.75 4.63 5.05 2dgaA1 ASP 254 HB2 0.04 0.01 0.11 -0.04 2.71 2.82 2dgaA1 ASP 254 HB3 0.06 0.05 -0.07 -0.04 2.70 2.69 2dgaA1 SER 255 H 0.06 -0.03 -0.07 -0.55 8.46 7.87 2dgaA1 SER 255 HA 0.11 0.36 1.02 -0.75 4.49 5.22 2dgaA1 SER 255 HB2 0.17 -0.08 0.08 -0.04 3.95 4.08 2dgaA1 SER 255 HB3 0.64 -0.00 0.02 -0.04 3.93 4.55 2dgaA1 LYS 256 H 0.10 0.69 0.35 -0.55 8.42 9.00 2dgaA1 LYS 256 HA 0.11 0.16 0.88 -0.75 4.32 4.72 2dgaA1 LYS 256 HB2 -0.06 -0.03 0.07 -0.04 1.87 1.81 2dgaA1 LYS 256 HB3 0.02 -0.07 -0.04 -0.04 1.79 1.65 2dgaA1 LYS 256 HG2 0.08 0.07 -0.11 -0.04 1.46 1.45 2dgaA1 LYS 256 HG3 0.06 0.03 -0.59 -0.04 1.46 0.92 2dgaA1 LYS 256 HD2 0.08 -0.04 -0.11 -0.04 1.69 1.58 2dgaA1 LYS 256 HD3 0.12 -0.00 -0.12 -0.04 1.68 1.63 2dgaA1 LYS 256 HE2 0.08 0.02 -0.07 -0.04 2.99 2.99 2dgaA1 LYS 256 HE3 0.07 0.06 -0.12 -0.04 2.99 2.96 2dgaA1 ILE 257 H -0.01 0.28 0.25 -0.55 8.25 8.22 2dgaA1 ILE 257 HA -0.19 0.20 0.95 -0.75 4.18 4.40 2dgaA1 ILE 257 HB -0.95 0.03 -0.18 -0.04 1.89 0.74 2dgaA1 ILE 257 HG12 -0.09 0.05 -0.05 -0.04 1.49 1.35 2dgaA1 ILE 257 HG13 -0.18 -0.08 -0.03 -0.04 1.21 0.88 2dgaA1 ILE 257 HG23 -0.12 0.03 0.02 -0.04 0.93 0.83 2dgaA1 ILE 257 HD13 -0.50 -0.01 -0.09 -0.04 0.88 0.23 2dgaA1 GLY 258 H -0.07 0.43 0.33 -0.55 8.43 8.58 2dgaA1 GLY 258 HA2 0.20 0.15 0.62 -0.51 4.01 4.47 2dgaA1 GLY 258 HA3 0.15 0.34 0.61 -0.51 4.01 4.60 2dgaA1 MET 259 H 0.16 0.41 0.36 -0.55 8.47 8.86 2dgaA1 MET 259 HA 0.20 -0.02 0.78 -0.75 4.52 4.73 2dgaA1 MET 259 HB2 -0.18 0.02 0.24 -0.04 2.15 2.18 2dgaA1 MET 259 HB3 -0.08 0.03 -0.01 -0.04 2.03 1.93 2dgaA1 MET 259 HG2 -0.28 0.08 -0.04 -0.04 2.63 2.36 2dgaA1 MET 259 HG3 -1.47 -0.02 -0.21 -0.04 2.56 0.82 2dgaA1 MET 259 HE3 -0.46 -0.00 -0.06 -0.04 2.10 1.54 2dgaA1 ALA 260 H -0.20 0.55 0.34 -0.55 8.40 8.55 2dgaA1 ALA 260 HA -0.21 0.26 1.08 -0.75 4.34 4.71 2dgaA1 ALA 260 HB3 -0.39 -0.01 -0.00 -0.04 1.41 0.96 2dgaA1 PHE 261 H 0.14 0.98 0.38 -0.55 8.34 9.29 2dgaA1 PHE 261 HA -0.00 -0.00 1.04 -0.75 4.62 4.90 2dgaA1 PHE 261 HB2 0.05 0.03 0.10 -0.04 3.15 3.29 2dgaA1 PHE 261 HB3 0.06 0.08 0.07 -0.04 3.06 3.22 2dgaA1 PHE 261 HD2 0.06 0.07 0.04 -0.04 7.28 7.41 2dgaA1 PHE 261 HE2 0.06 0.06 -0.19 -0.04 7.38 7.27 2dgaA1 PHE 261 HZ -0.01 0.09 -0.07 -0.04 7.32 7.29 2dgaA1 ASP 262 H 0.15 -0.03 0.26 -0.55 8.40 8.23 2dgaA1 ASP 262 HA 0.17 0.18 0.74 -0.75 4.63 4.96 2dgaA1 ASP 262 HB2 0.16 0.10 0.05 -0.04 2.71 2.98 2dgaA1 ASP 262 HB3 0.14 -0.07 0.13 -0.04 2.70 2.86 2dgaA1 VAL 263 H 0.20 0.67 0.32 -0.55 8.24 8.88 2dgaA1 VAL 263 HA 0.14 0.14 0.78 -0.75 4.13 4.44 2dgaA1 VAL 263 HB 0.21 0.05 -0.09 -0.04 2.12 2.25 2dgaA1 VAL 263 HG13 0.15 0.00 -0.34 -0.04 0.97 0.73 2dgaA1 VAL 263 HG23 0.27 -0.01 -0.15 -0.04 0.95 1.02 2dgaA1 MET 264 H 0.17 0.19 0.12 -0.55 8.47 8.41 2dgaA1 MET 264 HA 0.00 0.22 1.02 -0.75 4.52 5.01 2dgaA1 MET 264 HB2 -0.05 -0.06 0.03 -0.04 2.15 2.03 2dgaA1 MET 264 HB3 -0.37 0.12 -0.03 -0.04 2.03 1.72 2dgaA1 MET 264 HG2 0.07 0.00 -0.04 -0.04 2.63 2.63 2dgaA1 MET 264 HG3 0.12 -0.08 -0.18 -0.04 2.56 2.37 2dgaA1 MET 264 HE3 0.23 -0.02 -0.10 -0.04 2.10 2.18 2dgaA1 GLY 265 H 0.16 0.43 0.35 -0.55 8.43 8.83 2dgaA1 GLY 265 HA2 0.18 0.15 0.65 -0.51 4.01 4.48 2dgaA1 GLY 265 HA3 0.24 -0.03 0.32 -0.51 4.01 4.02 2dgaA1 TYR 266 H 0.20 0.25 0.20 -0.55 8.29 8.40 2dgaA1 TYR 266 HA 0.01 0.37 0.94 -0.75 4.56 5.13 2dgaA1 TYR 266 HB2 0.09 -0.02 0.02 -0.04 3.06 3.11 2dgaA1 TYR 266 HB3 0.08 -0.02 -0.06 -0.04 2.98 2.94 2dgaA1 TYR 266 HD2 0.09 0.01 -0.24 -0.04 7.15 6.96 2dgaA1 TYR 266 HE2 0.09 -0.04 -0.13 -0.04 6.85 6.72 2dgaA1 GLU 267 H 0.05 0.56 0.38 -0.55 8.60 9.04 2dgaA1 GLU 267 HA 0.13 0.19 0.82 -0.75 4.29 4.67 2dgaA1 GLU 267 HB2 -0.32 -0.03 -0.05 -0.04 2.09 1.65 2dgaA1 GLU 267 HB3 0.14 0.08 -0.00 -0.04 1.99 2.18 2dgaA1 GLU 267 HG2 -0.03 -0.09 -0.42 -0.04 2.34 1.76 2dgaA1 GLU 267 HG3 -0.24 0.01 -0.14 -0.04 2.34 1.93 2dgaA1 PRO 268 HA 0.19 0.14 0.64 -0.51 4.44 4.90 2dgaA1 PRO 268 HB2 0.10 0.11 -0.01 -0.04 2.28 2.45 2dgaA1 PRO 268 HB3 0.11 0.04 -0.12 -0.04 2.02 2.02 2dgaA1 PRO 268 HG2 0.12 0.02 0.01 -0.04 2.03 2.14 2dgaA1 PRO 268 HG3 0.10 0.03 0.04 -0.04 2.03 2.16 2dgaA1 PRO 268 HD2 0.15 0.10 0.20 -0.04 3.68 4.09 2dgaA1 PRO 268 HD3 0.13 0.16 0.15 -0.04 3.65 4.04 2dgaA1 TYR 269 H 0.28 0.61 0.33 -0.55 8.29 8.97 2dgaA1 TYR 269 HA 0.01 0.04 0.36 -0.75 4.56 4.21 2dgaA1 TYR 269 HB2 0.07 0.03 -0.28 -0.04 3.06 2.84 2dgaA1 TYR 269 HB3 0.02 -0.09 0.14 -0.04 2.98 3.00 2dgaA1 TYR 269 HD2 -0.06 0.01 -0.08 -0.04 7.15 6.97 2dgaA1 TYR 269 HE2 -0.09 0.11 -0.16 -0.04 6.85 6.67 2dgaA1 GLN 270 H 0.12 0.09 -0.01 -0.55 8.47 8.13 2dgaA1 GLN 270 HA -0.16 0.18 0.83 -0.75 4.36 4.46 2dgaA1 GLN 270 HB2 0.10 0.00 -0.12 -0.04 2.15 2.09 2dgaA1 GLN 270 HB3 0.04 -0.06 -0.11 -0.04 2.02 1.85 2dgaA1 GLN 270 HG2 -0.04 -0.09 0.06 -0.04 2.40 2.30 2dgaA1 GLN 270 HG3 -0.09 0.04 0.05 -0.04 2.39 2.35 2dgaA1 GLN 270 HE21 -0.01 0.00 -0.01 -0.04 6.97 6.92 2dgaA1 GLN 270 HE22 -0.02 0.03 0.01 -0.04 7.69 7.67 2dgaA1 ASP 271 H -0.04 0.19 0.08 -0.55 8.40 8.09 2dgaA1 ASP 271 HA 0.02 0.10 0.53 -0.75 4.63 4.52 2dgaA1 ASP 271 HB2 0.00 0.05 0.11 -0.04 2.71 2.83 2dgaA1 ASP 271 HB3 -0.01 -0.00 0.23 -0.04 2.70 2.88 2dgaA1 SER 272 H 0.02 0.41 0.25 -0.55 8.46 8.59 2dgaA1 SER 272 HA -0.02 0.15 0.58 -0.75 4.49 4.46 2dgaA1 SER 272 HB2 -0.08 0.24 -0.11 -0.04 3.95 3.96 2dgaA1 SER 272 HB3 -0.07 -0.05 -0.14 -0.04 3.93 3.62 2dgaA1 PHE 273 H 0.07 0.27 0.17 -0.55 8.34 8.29 2dgaA1 PHE 273 HA 0.01 0.12 0.47 -0.75 4.62 4.46 2dgaA1 PHE 273 HB2 -0.01 0.07 0.13 -0.04 3.15 3.30 2dgaA1 PHE 273 HB3 -0.01 0.06 0.15 -0.04 3.06 3.22 2dgaA1 PHE 273 HD2 -0.03 0.00 -0.10 -0.04 7.28 7.12 2dgaA1 PHE 273 HE2 -0.04 0.04 -0.01 -0.04 7.38 7.33 2dgaA1 PHE 273 HZ -0.04 0.05 -0.00 -0.04 7.32 7.28 2dgaA1 LEU 274 H -0.75 0.07 -0.28 -0.55 8.37 6.86 2dgaA1 LEU 274 HA -0.30 0.16 0.47 -0.75 4.35 3.92 2dgaA1 LEU 274 HB2 -0.43 -0.04 0.07 -0.04 1.64 1.20 2dgaA1 LEU 274 HB3 -0.57 0.05 -0.01 -0.04 1.64 1.06 2dgaA1 LEU 274 HG -1.29 -0.05 0.03 -0.04 1.64 0.29 2dgaA1 LEU 274 HD13 -0.39 0.02 -0.01 -0.04 0.93 0.51 2dgaA1 LEU 274 HD23 -0.51 0.03 0.00 -0.04 0.89 0.36 2dgaA1 ASP 275 H -0.09 0.20 -0.09 -0.55 8.40 7.87 2dgaA1 ASP 275 HA 0.07 0.05 0.66 -0.75 4.63 4.65 2dgaA1 ASP 275 HB2 0.05 0.25 0.23 -0.04 2.71 3.20 2dgaA1 ASP 275 HB3 0.12 -0.02 0.31 -0.04 2.70 3.08 2dgaA1 ASP 276 H 0.04 0.28 -0.28 -0.55 8.40 7.89 2dgaA1 ASP 276 HA 0.08 0.08 0.53 -0.75 4.63 4.56 2dgaA1 ASP 276 HB2 0.11 0.11 0.20 -0.04 2.71 3.09 2dgaA1 ASP 276 HB3 0.08 0.03 0.04 -0.04 2.70 2.81 2dgaA1 GLN 277 H 0.08 0.43 -0.14 -0.55 8.47 8.30 2dgaA1 GLN 277 HA 0.08 0.05 0.46 -0.75 4.36 4.20 2dgaA1 GLN 277 HB2 0.08 0.12 0.21 -0.04 2.15 2.51 2dgaA1 GLN 277 HB3 0.10 -0.00 0.05 -0.04 2.02 2.12 2dgaA1 GLN 277 HG2 0.11 -0.02 0.05 -0.04 2.40 2.49 2dgaA1 GLN 277 HG3 0.17 0.18 0.15 -0.04 2.39 2.85 2dgaA1 GLN 277 HE21 0.14 -0.01 -0.02 -0.04 6.97 7.04 2dgaA1 GLN 277 HE22 0.10 0.00 -0.00 -0.04 7.69 7.75 2dgaA1 ALA 278 H 0.08 0.39 -0.13 -0.55 8.40 8.20 2dgaA1 ALA 278 HA 0.07 0.15 0.34 -0.75 4.34 4.15 2dgaA1 ALA 278 HB3 0.09 0.01 -0.05 -0.04 1.41 1.41 2dgaA1 ARG 279 H 0.07 0.56 -0.34 -0.55 8.46 8.19 2dgaA1 ARG 279 HA 0.00 -0.03 0.29 -0.75 4.34 3.85 2dgaA1 ARG 279 HB2 0.11 0.02 0.04 -0.04 1.90 2.03 2dgaA1 ARG 279 HB3 0.09 0.17 0.11 -0.04 1.80 2.12 2dgaA1 ARG 279 HG2 0.12 -0.03 -0.24 -0.04 1.67 1.47 2dgaA1 ARG 279 HG3 0.19 -0.11 -0.23 -0.04 1.67 1.48 2dgaA1 ARG 279 HD2 0.16 0.31 -0.12 -0.04 3.22 3.53 2dgaA1 ARG 279 HD3 0.13 -0.07 -0.09 -0.04 3.22 3.16 2dgaA1 GLU 280 H 0.06 0.44 -0.26 -0.55 8.60 8.29 2dgaA1 GLU 280 HA 0.06 0.01 0.46 -0.75 4.29 4.06 2dgaA1 GLU 280 HB2 0.06 0.15 0.15 -0.04 2.09 2.41 2dgaA1 GLU 280 HB3 0.06 -0.07 0.05 -0.04 1.99 1.99 2dgaA1 GLU 280 HG2 0.06 0.19 0.10 -0.04 2.34 2.64 2dgaA1 GLU 280 HG3 0.05 -0.02 0.03 -0.04 2.34 2.35 2dgaA1 ARG 281 H 0.03 0.48 -0.24 -0.55 8.46 8.18 2dgaA1 ARG 281 HA 0.06 -0.05 0.46 -0.75 4.34 4.06 2dgaA1 ARG 281 HB2 0.02 0.14 0.13 -0.04 1.90 2.15 2dgaA1 ARG 281 HB3 0.04 0.05 0.04 -0.04 1.80 1.90 2dgaA1 ARG 281 HG2 0.07 -0.15 -0.00 -0.04 1.67 1.55 2dgaA1 ARG 281 HG3 0.07 0.13 0.01 -0.04 1.67 1.83 2dgaA1 ARG 281 HD2 0.07 0.06 -0.03 -0.04 3.22 3.27 2dgaA1 ARG 281 HD3 0.06 -0.10 -0.04 -0.04 3.22 3.10 2dgaA1 SER 282 H -0.10 0.56 -0.17 -0.55 8.46 8.21 2dgaA1 SER 282 HA -0.16 0.03 0.38 -0.75 4.49 3.98 2dgaA1 SER 282 HB2 -0.61 0.14 0.10 -0.04 3.95 3.54 2dgaA1 SER 282 HB3 -1.55 -0.06 -0.08 -0.04 3.93 2.20 2dgaA1 ILE 283 H -0.09 0.58 -0.13 -0.55 8.25 8.06 2dgaA1 ILE 283 HA 0.13 0.03 0.48 -0.75 4.18 4.06 2dgaA1 ILE 283 HB 0.09 0.10 0.15 -0.04 1.89 2.19 2dgaA1 ILE 283 HG12 0.31 -0.02 0.04 -0.04 1.49 1.79 2dgaA1 ILE 283 HG13 0.09 0.14 0.07 -0.04 1.21 1.47 2dgaA1 ILE 283 HG23 0.16 -0.02 -0.06 -0.04 0.93 0.97 2dgaA1 ILE 283 HD13 0.15 -0.00 -0.03 -0.04 0.88 0.96 2dgaA1 ASP 284 H 0.07 0.64 -0.16 -0.55 8.40 8.40 2dgaA1 ASP 284 HA 0.12 -0.05 0.45 -0.75 4.63 4.40 2dgaA1 ASP 284 HB2 0.09 0.19 0.22 -0.04 2.71 3.17 2dgaA1 ASP 284 HB3 0.09 -0.10 -0.05 -0.04 2.70 2.61 2dgaA1 TYR 285 H 0.17 0.57 -0.27 -0.55 8.29 8.21 2dgaA1 TYR 285 HA 0.08 0.03 0.45 -0.75 4.56 4.37 2dgaA1 TYR 285 HB2 -0.00 0.12 0.07 -0.04 3.06 3.21 2dgaA1 TYR 285 HB3 0.05 0.04 0.10 -0.04 2.98 3.13 2dgaA1 TYR 285 HD2 0.12 0.02 -0.22 -0.04 7.15 7.03 2dgaA1 TYR 285 HE2 0.08 -0.02 -0.12 -0.04 6.85 6.75 2dgaA1 ASN 286 H 0.17 0.69 0.04 -0.55 8.53 8.89 2dgaA1 ASN 286 HA -0.45 -0.01 0.46 -0.75 4.76 4.01 2dgaA1 ASN 286 HB2 0.22 0.08 0.14 -0.04 2.88 3.28 2dgaA1 ASN 286 HB3 0.22 0.02 0.16 -0.04 2.79 3.15 2dgaA1 ASN 286 HD21 0.17 -0.05 -0.07 -0.04 7.03 7.04 2dgaA1 ASN 286 HD22 0.52 0.09 -0.03 -0.04 7.74 8.28 2dgaA1 MET 287 H 0.11 0.56 0.05 -0.55 8.47 8.64 2dgaA1 MET 287 HA 0.07 0.17 0.96 -0.75 4.52 4.96 2dgaA1 MET 287 HB2 0.10 -0.04 0.04 -0.04 2.15 2.21 2dgaA1 MET 287 HB3 0.09 0.12 0.17 -0.04 2.03 2.37 2dgaA1 MET 287 HG2 -0.14 -0.02 -0.24 -0.04 2.63 2.19 2dgaA1 MET 287 HG3 -0.13 -0.03 -0.01 -0.04 2.56 2.34 2dgaA1 MET 287 HE3 0.15 0.01 -0.07 -0.04 2.10 2.14 2dgaA1 GLY 288 H 0.10 0.48 0.22 -0.55 8.43 8.67 2dgaA1 GLY 288 HA2 -0.02 -0.06 0.39 -0.51 4.01 3.81 2dgaA1 GLY 288 HA3 0.11 0.05 0.44 -0.51 4.01 4.10 2dgaA1 TRP 289 H 0.22 0.33 -0.28 -0.55 7.97 7.69 2dgaA1 TRP 289 HA -0.11 -0.01 0.36 -0.75 4.62 4.11 2dgaA1 TRP 289 HB2 -0.29 0.20 0.15 -0.04 3.23 3.25 2dgaA1 TRP 289 HB3 -0.10 -0.07 -0.02 -0.04 3.23 3.00 2dgaA1 TRP 289 HD1 -0.40 0.02 -0.01 -0.04 7.22 6.79 2dgaA1 TRP 289 HE1 -0.29 0.01 -0.07 -0.04 10.20 9.80 2dgaA1 TRP 289 HE3 -0.08 0.26 0.03 -0.04 7.59 7.76 2dgaA1 TRP 289 HZ2 -0.06 0.05 -0.24 -0.04 7.44 7.15 2dgaA1 TRP 289 HZ3 -0.01 -0.06 -0.06 -0.04 7.13 6.97 2dgaA1 TRP 289 HH2 -0.25 -0.09 -0.19 -0.04 7.19 6.62 2dgaA1 PHE 290 H 0.23 0.19 -0.27 -0.55 8.34 7.94 2dgaA1 PHE 290 HA 0.16 0.23 0.94 -0.75 4.62 5.20 2dgaA1 PHE 290 HB2 0.25 -0.00 0.05 -0.04 3.15 3.40 2dgaA1 PHE 290 HB3 0.19 -0.00 -0.00 -0.04 3.06 3.20 2dgaA1 PHE 290 HD2 -0.18 0.05 -0.04 -0.04 7.28 7.07 2dgaA1 PHE 290 HE2 -1.05 0.08 -0.09 -0.04 7.38 6.28 2dgaA1 PHE 290 HZ -0.95 -0.00 -0.07 -0.04 7.32 6.26 2dgaA1 LEU 291 H -0.07 0.41 0.07 -0.55 8.37 8.24 2dgaA1 LEU 291 HA -0.34 0.07 0.47 -0.75 4.35 3.80 2dgaA1 LEU 291 HB2 -1.00 -0.03 0.04 -0.04 1.64 0.62 2dgaA1 LEU 291 HB3 -0.42 -0.03 -0.03 -0.04 1.64 1.12 2dgaA1 LEU 291 HG -0.75 0.02 -0.33 -0.04 1.64 0.54 2dgaA1 LEU 291 HD13 -0.46 0.01 -0.02 -0.04 0.93 0.43 2dgaA1 LEU 291 HD23 -0.61 -0.01 -0.11 -0.04 0.89 0.12 2dgaA1 GLU 292 H -0.07 0.43 0.07 -0.55 8.60 8.49 2dgaA1 GLU 292 HA -0.08 0.02 0.38 -0.75 4.29 3.86 2dgaA1 GLU 292 HB2 0.10 -0.13 0.15 -0.04 2.09 2.17 2dgaA1 GLU 292 HB3 0.10 0.15 0.05 -0.04 1.99 2.24 2dgaA1 GLU 292 HG2 0.12 0.18 -0.13 -0.04 2.34 2.46 2dgaA1 GLU 292 HG3 0.22 -0.03 0.07 -0.04 2.34 2.55 2dgaA1 PRO 293 HA -0.14 -0.10 0.33 -0.51 4.44 4.02 2dgaA1 PRO 293 HB2 -0.06 0.08 -0.06 -0.04 2.28 2.20 2dgaA1 PRO 293 HB3 -0.35 -0.02 -0.16 -0.04 2.02 1.44 2dgaA1 PRO 293 HG2 -0.01 0.19 0.02 -0.04 2.03 2.20 2dgaA1 PRO 293 HG3 -0.19 -0.11 -0.50 -0.04 2.03 1.18 2dgaA1 PRO 293 HD2 0.06 -0.07 -0.70 -0.04 3.68 2.92 2dgaA1 PRO 293 HD3 0.09 0.14 -0.07 -0.04 3.65 3.77 2dgaA1 VAL 294 H 0.01 0.35 -0.28 -0.55 8.24 7.77 2dgaA1 VAL 294 HA 0.02 0.27 0.42 -0.75 4.13 4.08 2dgaA1 VAL 294 HB 0.13 -0.06 0.10 -0.04 2.12 2.25 2dgaA1 VAL 294 HG13 -0.01 0.01 0.00 -0.04 0.97 0.93 2dgaA1 VAL 294 HG23 0.14 0.01 0.03 -0.04 0.95 1.09 2dgaA1 VAL 295 H -0.02 0.21 -0.43 -0.55 8.24 7.44 2dgaA1 VAL 295 HA 0.04 0.13 0.85 -0.75 4.13 4.39 2dgaA1 VAL 295 HB 0.02 -0.07 0.18 -0.04 2.12 2.22 2dgaA1 VAL 295 HG13 0.21 0.00 -0.07 -0.04 0.97 1.07 2dgaA1 VAL 295 HG23 -0.14 0.04 -0.02 -0.04 0.95 0.80 2dgaA1 ARG 296 H 0.03 0.64 0.23 -0.55 8.46 8.80 2dgaA1 ARG 296 HA 0.03 0.27 1.06 -0.75 4.34 4.95 2dgaA1 ARG 296 HB2 0.05 -0.02 0.11 -0.04 1.90 1.99 2dgaA1 ARG 296 HB3 0.09 -0.02 -0.01 -0.04 1.80 1.81 2dgaA1 ARG 296 HG2 0.07 0.16 0.02 -0.04 1.67 1.88 2dgaA1 ARG 296 HG3 0.04 -0.07 -0.28 -0.04 1.67 1.32 2dgaA1 ARG 296 HD2 0.07 -0.02 -0.05 -0.04 3.22 3.19 2dgaA1 ARG 296 HD3 0.11 -0.01 -0.03 -0.04 3.22 3.24 2dgaA1 GLY 297 H -0.05 0.34 0.07 -0.55 8.43 8.24 2dgaA1 GLY 297 HA2 -0.19 0.10 0.36 -0.51 4.01 3.78 2dgaA1 GLY 297 HA3 -0.09 0.18 0.78 -0.51 4.01 4.38 2dgaA1 ASP 298 H -0.04 0.25 -0.07 -0.55 8.40 7.99 2dgaA1 ASP 298 HA 0.00 0.07 0.52 -0.75 4.63 4.47 2dgaA1 ASP 298 HB2 0.07 0.08 -0.32 -0.04 2.71 2.49 2dgaA1 ASP 298 HB3 0.09 0.01 -0.15 -0.04 2.70 2.61 2dgaA1 TYR 299 H 0.12 0.10 0.06 -0.55 8.29 8.02 2dgaA1 TYR 299 HA 0.10 0.18 0.41 -0.75 4.56 4.50 2dgaA1 TYR 299 HB2 0.00 -0.04 -0.02 -0.04 3.06 2.96 2dgaA1 TYR 299 HB3 -0.04 -0.01 0.05 -0.04 2.98 2.93 2dgaA1 TYR 299 HD2 0.07 0.11 0.05 -0.04 7.15 7.35 2dgaA1 TYR 299 HE2 0.00 0.14 -0.05 -0.04 6.85 6.90 2dgaA1 PRO 300 HA 0.16 0.11 0.39 -0.51 4.44 4.59 2dgaA1 PRO 300 HB2 0.08 -0.18 -0.01 -0.04 2.28 2.13 2dgaA1 PRO 300 HB3 0.13 0.03 0.10 -0.04 2.02 2.24 2dgaA1 PRO 300 HG2 0.11 0.13 -0.09 -0.04 2.03 2.13 2dgaA1 PRO 300 HG3 0.14 0.07 0.03 -0.04 2.03 2.24 2dgaA1 PRO 300 HD2 0.11 0.05 0.06 -0.04 3.68 3.86 2dgaA1 PRO 300 HD3 0.22 0.35 0.05 -0.04 3.65 4.23 2dgaA1 PHE 301 H 0.25 0.19 0.15 -0.55 8.34 8.38 2dgaA1 PHE 301 HA 0.03 0.13 0.37 -0.75 4.62 4.39 2dgaA1 PHE 301 HB2 0.03 0.09 0.12 -0.04 3.15 3.34 2dgaA1 PHE 301 HB3 0.02 -0.04 0.10 -0.04 3.06 3.10 2dgaA1 PHE 301 HD2 0.01 0.01 -0.15 -0.04 7.28 7.11 2dgaA1 PHE 301 HE2 -0.00 0.02 -0.04 -0.04 7.38 7.31 2dgaA1 PHE 301 HZ -0.01 0.02 -0.03 -0.04 7.32 7.26 2dgaA1 SER 302 H 0.18 0.07 -0.20 -0.55 8.46 7.97 2dgaA1 SER 302 HA 0.08 0.08 0.31 -0.75 4.49 4.20 2dgaA1 SER 302 HB2 0.07 0.09 -0.01 -0.04 3.95 4.06 2dgaA1 SER 302 HB3 0.12 0.00 0.04 -0.04 3.93 4.05 2dgaA1 MET 303 H -0.02 0.12 -0.39 -0.55 8.47 7.63 2dgaA1 MET 303 HA -0.12 0.10 0.37 -0.75 4.52 4.12 2dgaA1 MET 303 HB2 -0.15 0.14 0.02 -0.04 2.15 2.12 2dgaA1 MET 303 HB3 -0.41 0.01 -0.08 -0.04 2.03 1.52 2dgaA1 MET 303 HG2 -0.12 0.02 -0.10 -0.04 2.63 2.39 2dgaA1 MET 303 HG3 -0.05 -0.09 -0.14 -0.04 2.56 2.23 2dgaA1 MET 303 HE3 -1.51 0.00 -0.05 -0.04 2.10 0.50 2dgaA1 ARG 304 H -0.17 0.41 -0.16 -0.55 8.46 7.98 2dgaA1 ARG 304 HA -0.24 0.05 0.42 -0.75 4.34 3.82 2dgaA1 ARG 304 HB2 -0.27 0.05 0.10 -0.04 1.90 1.74 2dgaA1 ARG 304 HB3 -0.21 -0.02 -0.01 -0.04 1.80 1.52 2dgaA1 ARG 304 HG2 -0.09 0.02 -0.04 -0.04 1.67 1.52 2dgaA1 ARG 304 HG3 0.02 0.06 -0.10 -0.04 1.67 1.61 2dgaA1 ARG 304 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.14 2dgaA1 ARG 304 HD3 -0.04 -0.00 -0.03 -0.04 3.22 3.11 2dgaA1 SER 305 H -0.41 0.59 -0.19 -0.55 8.46 7.90 2dgaA1 SER 305 HA -0.28 0.02 0.39 -0.75 4.49 3.86 2dgaA1 SER 305 HB2 -0.18 -0.06 0.06 -0.04 3.95 3.73 2dgaA1 SER 305 HB3 -0.72 -0.01 0.06 -0.04 3.93 3.22 2dgaA1 LEU 306 H -0.17 0.29 -0.35 -0.55 8.37 7.60 2dgaA1 LEU 306 HA -0.10 0.14 0.88 -0.75 4.35 4.52 2dgaA1 LEU 306 HB2 -0.05 0.04 0.13 -0.04 1.64 1.72 2dgaA1 LEU 306 HB3 0.04 0.01 0.09 -0.04 1.64 1.74 2dgaA1 LEU 306 HG -0.08 -0.06 -0.11 -0.04 1.64 1.35 2dgaA1 LEU 306 HD13 0.05 0.00 -0.07 -0.04 0.93 0.88 2dgaA1 LEU 306 HD23 -0.24 -0.01 -0.03 -0.04 0.89 0.56 2dgaA1 ILE 307 H -0.21 0.54 0.08 -0.55 8.25 8.11 2dgaA1 ILE 307 HA -0.18 0.14 0.79 -0.75 4.18 4.18 2dgaA1 ILE 307 HB -0.48 0.08 0.01 -0.04 1.89 1.46 2dgaA1 ILE 307 HG12 -0.25 -0.03 -0.07 -0.04 1.49 1.09 2dgaA1 ILE 307 HG13 -0.21 0.01 -0.07 -0.04 1.21 0.90 2dgaA1 ILE 307 HG23 -0.80 -0.05 -0.15 -0.04 0.93 -0.12 2dgaA1 ILE 307 HD13 -0.64 -0.04 -0.08 -0.04 0.88 0.08 2dgaA1 GLY 308 H -0.21 0.41 0.05 -0.55 8.43 8.13 2dgaA1 GLY 308 HA2 -0.16 0.14 0.36 -0.51 4.01 3.85 2dgaA1 GLY 308 HA3 -0.13 -0.04 0.32 -0.51 4.01 3.65 2dgaA1 ASP 309 H -0.11 0.13 0.18 -0.55 8.40 8.05 2dgaA1 ASP 309 HA -0.11 0.08 0.34 -0.75 4.63 4.18 2dgaA1 ASP 309 HB2 -0.08 0.02 0.09 -0.04 2.71 2.70 2dgaA1 ASP 309 HB3 -0.08 -0.00 0.06 -0.04 2.70 2.64 2dgaA1 ARG 310 H -0.17 0.46 -0.39 -0.55 8.46 7.81 2dgaA1 ARG 310 HA -0.10 0.05 0.58 -0.75 4.34 4.11 2dgaA1 ARG 310 HB2 -0.21 0.15 0.08 -0.04 1.90 1.88 2dgaA1 ARG 310 HB3 -0.06 0.04 0.18 -0.04 1.80 1.92 2dgaA1 ARG 310 HG2 -0.05 -0.07 -0.03 -0.04 1.67 1.48 2dgaA1 ARG 310 HG3 -0.08 -0.05 -0.02 -0.04 1.67 1.48 2dgaA1 ARG 310 HD2 0.02 0.23 0.00 -0.04 3.22 3.42 2dgaA1 ARG 310 HD3 -0.03 -0.10 -0.05 -0.04 3.22 3.01 2dgaA1 LEU 311 H -0.28 0.56 -0.43 -0.55 8.37 7.68 2dgaA1 LEU 311 HA -0.39 0.11 0.77 -0.75 4.35 4.08 2dgaA1 LEU 311 HB2 -0.71 -0.08 -0.14 -0.04 1.64 0.67 2dgaA1 LEU 311 HB3 -0.38 0.08 0.04 -0.04 1.64 1.35 2dgaA1 LEU 311 HG -0.49 0.12 -0.20 -0.04 1.64 1.03 2dgaA1 LEU 311 HD13 -1.10 -0.00 -0.03 -0.04 0.93 -0.25 2dgaA1 LEU 311 HD23 -0.59 -0.03 -0.18 -0.04 0.89 0.04 2dgaA1 PRO 312 HA -0.29 -0.00 0.34 -0.51 4.44 3.99 2dgaA1 PRO 312 HB2 -1.87 -0.02 -0.04 -0.04 2.28 0.31 2dgaA1 PRO 312 HB3 -0.73 0.00 0.04 -0.04 2.02 1.28 2dgaA1 PRO 312 HG2 -0.38 0.00 -0.01 -0.04 2.03 1.60 2dgaA1 PRO 312 HG3 -0.28 0.05 -0.03 -0.04 2.03 1.72 2dgaA1 PRO 312 HD2 -0.20 0.07 0.09 -0.04 3.68 3.59 2dgaA1 PRO 312 HD3 -0.18 0.35 0.05 -0.04 3.65 3.83 2dgaA1 MET 313 H -0.19 0.06 0.15 -0.55 8.47 7.94 2dgaA1 MET 313 HA -0.05 0.13 0.64 -0.75 4.52 4.48 2dgaA1 MET 313 HB2 -0.06 0.01 0.10 -0.04 2.15 2.16 2dgaA1 MET 313 HB3 -0.02 -0.06 -0.01 -0.04 2.03 1.89 2dgaA1 MET 313 HG2 0.01 -0.05 -0.01 -0.04 2.63 2.53 2dgaA1 MET 313 HG3 0.05 0.10 0.05 -0.04 2.56 2.72 2dgaA1 MET 313 HE3 0.07 -0.02 0.04 -0.04 2.10 2.16 2dgaA1 PHE 314 H 0.15 0.17 0.17 -0.55 8.34 8.28 2dgaA1 PHE 314 HA 0.16 0.09 0.76 -0.75 4.62 4.88 2dgaA1 PHE 314 HB2 0.01 0.04 0.14 -0.04 3.15 3.30 2dgaA1 PHE 314 HB3 0.01 -0.00 -0.01 -0.04 3.06 3.02 2dgaA1 PHE 314 HD2 -0.11 -0.07 0.02 -0.04 7.28 7.08 2dgaA1 PHE 314 HE2 -0.91 -0.04 -0.09 -0.04 7.38 6.30 2dgaA1 PHE 314 HZ -0.39 -0.02 -0.07 -0.04 7.32 6.79 2dgaA1 THR 315 H 0.22 0.08 0.15 -0.55 8.28 8.18 2dgaA1 THR 315 HA 0.09 0.18 0.53 -0.75 4.39 4.43 2dgaA1 THR 315 HB 0.06 -0.03 0.17 -0.04 4.32 4.49 2dgaA1 THR 315 HG23 0.09 0.05 0.05 -0.04 1.22 1.36 2dgaA1 LYS 316 H 0.05 0.17 0.17 -0.55 8.42 8.26 2dgaA1 LYS 316 HA 0.04 0.18 0.40 -0.75 4.32 4.18 2dgaA1 LYS 316 HB2 0.03 -0.06 0.12 -0.04 1.87 1.93 2dgaA1 LYS 316 HB3 0.03 0.09 0.05 -0.04 1.79 1.91 2dgaA1 LYS 316 HG2 0.04 -0.06 0.14 -0.04 1.46 1.54 2dgaA1 LYS 316 HG3 0.03 0.04 0.06 -0.04 1.46 1.54 2dgaA1 LYS 316 HD2 0.03 0.05 0.03 -0.04 1.69 1.76 2dgaA1 LYS 316 HD3 0.04 0.03 0.01 -0.04 1.68 1.72 2dgaA1 LYS 316 HE2 0.03 -0.02 0.02 -0.04 2.99 2.99 2dgaA1 LYS 316 HE3 0.03 -0.00 0.02 -0.04 2.99 2.99 2dgaA1 GLU 317 H 0.04 0.04 -0.10 -0.55 8.60 8.04 2dgaA1 GLU 317 HA 0.01 0.15 0.40 -0.75 4.29 4.11 2dgaA1 GLU 317 HB2 0.02 0.09 0.00 -0.04 2.09 2.16 2dgaA1 GLU 317 HB3 0.02 0.02 0.08 -0.04 1.99 2.07 2dgaA1 GLU 317 HG2 0.04 -0.13 0.04 -0.04 2.34 2.26 2dgaA1 GLU 317 HG3 0.05 0.02 -0.09 -0.04 2.34 2.28 2dgaA1 GLU 318 H 0.06 -0.02 -0.35 -0.55 8.60 7.74 2dgaA1 GLU 318 HA -0.00 0.09 0.42 -0.75 4.29 4.05 2dgaA1 GLU 318 HB2 0.16 0.01 0.13 -0.04 2.09 2.35 2dgaA1 GLU 318 HB3 0.07 0.08 0.01 -0.04 1.99 2.11 2dgaA1 GLU 318 HG2 0.09 0.07 0.01 -0.04 2.34 2.47 2dgaA1 GLU 318 HG3 0.09 -0.11 0.03 -0.04 2.34 2.31 2dgaA1 GLN 319 H 0.01 0.49 -0.15 -0.55 8.47 8.27 2dgaA1 GLN 319 HA -0.24 0.13 0.50 -0.75 4.36 3.99 2dgaA1 GLN 319 HB2 -0.00 0.02 0.12 -0.04 2.15 2.25 2dgaA1 GLN 319 HB3 -0.04 0.04 0.10 -0.04 2.02 2.09 2dgaA1 GLN 319 HG2 0.03 0.05 0.09 -0.04 2.40 2.52 2dgaA1 GLN 319 HG3 0.09 0.19 -0.13 -0.04 2.39 2.50 2dgaA1 GLN 319 HE21 0.11 -0.08 -0.02 -0.04 6.97 6.93 2dgaA1 GLN 319 HE22 0.20 -0.03 0.08 -0.04 7.69 7.90 2dgaA1 GLU 320 H -0.02 0.30 -0.30 -0.55 8.60 8.04 2dgaA1 GLU 320 HA -0.02 0.08 0.41 -0.75 4.29 4.01 2dgaA1 GLU 320 HB2 0.00 -0.03 0.10 -0.04 2.09 2.13 2dgaA1 GLU 320 HB3 -0.00 0.06 0.14 -0.04 1.99 2.15 2dgaA1 GLU 320 HG2 0.00 -0.10 -0.03 -0.04 2.34 2.18 2dgaA1 GLU 320 HG3 -0.00 0.07 -0.19 -0.04 2.34 2.17 2dgaA1 LYS 321 H -0.03 0.32 -0.14 -0.55 8.42 8.02 2dgaA1 LYS 321 HA -0.01 0.08 0.43 -0.75 4.32 4.06 2dgaA1 LYS 321 HB2 -0.03 -0.02 0.12 -0.04 1.87 1.91 2dgaA1 LYS 321 HB3 -0.02 -0.02 -0.01 -0.04 1.79 1.70 2dgaA1 LYS 321 HG2 -0.00 0.02 0.01 -0.04 1.46 1.44 2dgaA1 LYS 321 HG3 -0.00 0.10 0.04 -0.04 1.46 1.55 2dgaA1 LYS 321 HD2 0.01 0.03 -0.08 -0.04 1.69 1.60 2dgaA1 LYS 321 HD3 0.01 -0.06 -0.05 -0.04 1.68 1.54 2dgaA1 LYS 321 HE2 0.01 0.03 -0.07 -0.04 2.99 2.92 2dgaA1 LYS 321 HE3 0.02 -0.08 -0.09 -0.04 2.99 2.81 2dgaA1 LEU 322 H -0.10 0.34 -0.31 -0.55 8.37 7.75 2dgaA1 LEU 322 HA -0.01 -0.03 0.51 -0.75 4.35 4.07 2dgaA1 LEU 322 HB2 -0.27 0.09 0.14 -0.04 1.64 1.56 2dgaA1 LEU 322 HB3 -0.19 0.09 -0.17 -0.04 1.64 1.33 2dgaA1 LEU 322 HG -0.20 -0.02 -0.06 -0.04 1.64 1.31 2dgaA1 LEU 322 HD13 -0.93 -0.05 -0.19 -0.04 0.93 -0.28 2dgaA1 LEU 322 HD23 -0.01 0.00 -0.10 -0.04 0.89 0.74 2dgaA1 ALA 323 H -0.06 0.45 -0.12 -0.55 8.40 8.13 2dgaA1 ALA 323 HA -0.00 -0.06 -0.03 -0.75 4.34 3.49 2dgaA1 ALA 323 HB3 -0.01 0.02 -0.13 -0.04 1.41 1.25 2dgaA1 SER 324 H 0.04 0.33 0.29 -0.55 8.46 8.57 2dgaA1 SER 324 HA 0.06 -0.01 0.45 -0.75 4.49 4.24 2dgaA1 SER 324 HB2 0.03 0.22 0.09 -0.04 3.95 4.25 2dgaA1 SER 324 HB3 0.04 -0.07 0.22 -0.04 3.93 4.09 2dgaA1 SER 325 H 0.08 0.48 -0.04 -0.55 8.46 8.44 2dgaA1 SER 325 HA 0.06 0.14 0.55 -0.75 4.49 4.48 2dgaA1 SER 325 HB2 0.04 -0.20 0.13 -0.04 3.95 3.87 2dgaA1 SER 325 HB3 0.05 0.32 0.09 -0.04 3.93 4.36 2dgaA1 CYS 326 H 0.13 0.17 -0.26 -0.55 8.50 7.99 2dgaA1 CYS 326 HA 0.16 0.25 1.22 -0.75 4.58 5.45 2dgaA1 CYS 326 HB2 0.17 0.03 0.07 -0.04 2.97 3.19 2dgaA1 CYS 326 HB3 0.19 0.11 0.01 -0.04 2.97 3.24 2dgaA1 ASP 327 H 0.09 0.75 0.44 -0.55 8.40 9.13 2dgaA1 ASP 327 HA 0.09 0.15 0.62 -0.75 4.63 4.73 2dgaA1 ASP 327 HB2 0.06 -0.17 0.18 -0.04 2.71 2.74 2dgaA1 ASP 327 HB3 0.09 0.03 0.10 -0.04 2.70 2.88 2dgaA1 ILE 328 H 0.12 0.13 -0.01 -0.55 8.25 7.95 2dgaA1 ILE 328 HA 0.22 0.36 0.80 -0.75 4.18 4.80 2dgaA1 ILE 328 HB 0.47 -0.01 -0.17 -0.04 1.89 2.14 2dgaA1 ILE 328 HG12 -0.01 -0.08 -0.28 -0.04 1.49 1.08 2dgaA1 ILE 328 HG13 0.09 -0.10 -0.29 -0.04 1.21 0.86 2dgaA1 ILE 328 HG23 0.26 0.01 -0.28 -0.04 0.93 0.87 2dgaA1 ILE 328 HD13 -0.34 0.02 -0.26 -0.04 0.88 0.26 2dgaA1 MET 329 H 0.28 0.82 0.28 -0.55 8.47 9.31 2dgaA1 MET 329 HA 0.37 0.10 1.02 -0.75 4.52 5.25 2dgaA1 MET 329 HB2 0.19 0.02 0.06 -0.04 2.15 2.37 2dgaA1 MET 329 HB3 0.29 -0.08 -0.02 -0.04 2.03 2.18 2dgaA1 MET 329 HG2 0.17 0.10 -0.26 -0.04 2.63 2.60 2dgaA1 MET 329 HG3 0.11 0.01 -0.13 -0.04 2.56 2.52 2dgaA1 MET 329 HE3 0.08 0.04 -0.08 -0.04 2.10 2.09 2dgaA1 GLY 330 H 0.27 0.61 0.39 -0.55 8.43 9.15 2dgaA1 GLY 330 HA2 0.15 0.31 1.04 -0.51 4.01 5.00 2dgaA1 GLY 330 HA3 -0.11 -0.08 0.32 -0.51 4.01 3.63 2dgaA1 LEU 331 H 0.06 0.68 0.43 -0.55 8.37 8.99 2dgaA1 LEU 331 HA 0.18 0.24 1.08 -0.75 4.35 5.10 2dgaA1 LEU 331 HB2 0.09 0.04 0.12 -0.04 1.64 1.85 2dgaA1 LEU 331 HB3 0.14 -0.02 -0.07 -0.04 1.64 1.66 2dgaA1 LEU 331 HG 0.15 0.00 -0.08 -0.04 1.64 1.67 2dgaA1 LEU 331 HD13 0.16 0.01 -0.48 -0.04 0.93 0.58 2dgaA1 LEU 331 HD23 0.08 0.01 -0.14 -0.04 0.89 0.80 2dgaA1 ASN 332 H 0.13 0.80 0.24 -0.55 8.53 9.15 2dgaA1 ASN 332 HA 0.01 0.16 0.82 -0.75 4.76 4.99 2dgaA1 ASN 332 HB2 0.12 -0.08 0.08 -0.04 2.88 2.96 2dgaA1 ASN 332 HB3 0.16 -0.01 -0.07 -0.04 2.79 2.84 2dgaA1 ASN 332 HD21 -0.12 0.00 -0.23 -0.04 7.03 6.65 2dgaA1 ASN 332 HD22 -0.03 -0.07 -0.19 -0.04 7.74 7.41 2dgaA1 TYR 333 H 0.03 0.62 0.24 -0.55 8.29 8.63 2dgaA1 TYR 333 HA 0.13 0.27 1.12 -0.75 4.56 5.33 2dgaA1 TYR 333 HB2 0.08 -0.02 -0.10 -0.04 3.06 2.98 2dgaA1 TYR 333 HB3 0.04 0.05 0.11 -0.04 2.98 3.14 2dgaA1 TYR 333 HD2 0.13 0.04 -0.24 -0.04 7.15 7.04 2dgaA1 TYR 333 HE2 0.26 -0.05 -0.25 -0.04 6.85 6.77 2dgaA1 TYR 334 H -0.30 0.11 0.27 -0.55 8.29 7.82 2dgaA1 TYR 334 HA 0.06 0.20 1.03 -0.75 4.56 5.09 2dgaA1 TYR 334 HB2 0.20 -0.03 0.02 -0.04 3.06 3.21 2dgaA1 TYR 334 HB3 -0.19 0.02 -0.01 -0.04 2.98 2.75 2dgaA1 TYR 334 HD2 0.14 0.20 -0.12 -0.04 7.15 7.32 2dgaA1 TYR 334 HE2 0.14 -0.01 -0.27 -0.04 6.85 6.67 2dgaA1 THR 335 H -0.33 0.10 0.30 -0.55 8.28 7.80 2dgaA1 THR 335 HA 0.09 0.21 0.76 -0.75 4.39 4.69 2dgaA1 THR 335 HB 0.06 -0.01 -0.24 -0.04 4.32 4.09 2dgaA1 THR 335 HG23 0.29 0.03 -0.08 -0.04 1.22 1.42 2dgaA1 SER 336 H 0.08 0.34 0.24 -0.55 8.46 8.56 2dgaA1 SER 336 HA -0.13 0.17 0.91 -0.75 4.49 4.68 2dgaA1 SER 336 HB2 -0.01 0.01 -0.08 -0.04 3.95 3.83 2dgaA1 SER 336 HB3 -0.13 0.07 -0.17 -0.04 3.93 3.66 2dgaA1 ARG 337 H -0.36 0.61 0.28 -0.55 8.46 8.44 2dgaA1 ARG 337 HA -0.21 0.19 0.82 -0.75 4.34 4.38 2dgaA1 ARG 337 HB2 -0.05 -0.03 -0.05 -0.04 1.90 1.73 2dgaA1 ARG 337 HB3 0.09 0.04 0.05 -0.04 1.80 1.94 2dgaA1 ARG 337 HG2 -0.05 -0.07 -0.58 -0.04 1.67 0.92 2dgaA1 ARG 337 HG3 0.07 -0.05 -0.17 -0.04 1.67 1.48 2dgaA1 ARG 337 HD2 0.04 -0.06 -0.40 -0.04 3.22 2.76 2dgaA1 ARG 337 HD3 -0.09 0.13 0.03 -0.04 3.22 3.24 2dgaA1 PHE 338 H 0.14 0.74 0.30 -0.55 8.34 8.98 2dgaA1 PHE 338 HA 0.10 0.23 0.81 -0.75 4.62 5.01 2dgaA1 PHE 338 HB2 0.17 0.03 0.00 -0.04 3.15 3.31 2dgaA1 PHE 338 HB3 0.22 -0.08 -0.09 -0.04 3.06 3.07 2dgaA1 PHE 338 HD2 -0.00 0.09 -0.56 -0.04 7.28 6.78 2dgaA1 PHE 338 HE2 -0.08 0.05 -0.19 -0.04 7.38 7.13 2dgaA1 PHE 338 HZ -0.10 0.06 -0.11 -0.04 7.32 7.13 2dgaA1 SER 339 H 0.31 0.62 0.33 -0.55 8.46 9.17 2dgaA1 SER 339 HA 0.16 0.34 0.87 -0.75 4.49 5.11 2dgaA1 SER 339 HB2 0.11 0.02 -0.12 -0.04 3.95 3.93 2dgaA1 SER 339 HB3 0.14 -0.05 0.01 -0.04 3.93 3.99 2dgaA1 LYS 340 H 0.02 0.69 0.21 -0.55 8.42 8.79 2dgaA1 LYS 340 HA 0.06 -0.01 1.04 -0.75 4.32 4.66 2dgaA1 LYS 340 HB2 -0.30 -0.00 -0.08 -0.04 1.87 1.45 2dgaA1 LYS 340 HB3 -0.19 -0.00 0.08 -0.04 1.79 1.64 2dgaA1 LYS 340 HG2 -0.18 0.19 -0.13 -0.04 1.46 1.30 2dgaA1 LYS 340 HG3 -0.22 -0.11 0.03 -0.04 1.46 1.12 2dgaA1 LYS 340 HD2 -1.42 -0.00 -0.07 -0.04 1.69 0.15 2dgaA1 LYS 340 HD3 -0.42 0.01 -0.07 -0.04 1.68 1.16 2dgaA1 LYS 340 HE2 -0.30 -0.05 -0.05 -0.04 2.99 2.55 2dgaA1 LYS 340 HE3 -0.36 0.02 -0.06 -0.04 2.99 2.55 2dgaA1 HIS 341 H 0.10 0.00 0.11 -0.55 8.41 8.08 2dgaA1 HIS 341 HA -0.04 0.20 0.49 -0.75 4.63 4.53 2dgaA1 HIS 341 HB2 -0.04 0.07 -0.08 -0.04 3.26 3.17 2dgaA1 HIS 341 HB3 -0.06 -0.11 0.00 -0.04 3.20 2.99 2dgaA1 HIS 341 HD2 -0.07 -0.06 -0.29 -0.04 6.97 6.51 2dgaA1 HIS 341 HE1 -0.01 0.01 -0.05 -0.04 7.75 7.65 2dgaA1 VAL 342 H -0.52 0.59 0.23 -0.55 8.24 7.99 2dgaA1 VAL 342 HA -0.36 0.08 0.79 -0.75 4.13 3.90 2dgaA1 VAL 342 HB -0.39 -0.01 -0.04 -0.04 2.12 1.63 2dgaA1 VAL 342 HG13 -0.95 0.05 -0.12 -0.04 0.97 -0.09 2dgaA1 VAL 342 HG23 -0.37 0.01 -0.25 -0.04 0.95 0.30 2dgaA1 ASP 343 H -0.20 0.09 0.05 -0.55 8.40 7.79 2dgaA1 ASP 343 HA -0.09 0.10 0.56 -0.75 4.63 4.45 2dgaA1 ASP 343 HB2 0.01 -0.03 0.03 -0.04 2.71 2.67 2dgaA1 ASP 343 HB3 0.05 0.12 -0.09 -0.04 2.70 2.75 2dgaA1 MET 344 H -0.00 0.11 0.17 -0.55 8.47 8.21 2dgaA1 MET 344 HA 0.20 0.17 0.71 -0.75 4.52 4.84 2dgaA1 MET 344 HB2 -0.07 -0.06 0.19 -0.04 2.15 2.17 2dgaA1 MET 344 HB3 -0.07 0.03 0.03 -0.04 2.03 1.98 2dgaA1 MET 344 HG2 -0.98 0.07 0.00 -0.04 2.63 1.69 2dgaA1 MET 344 HG3 -0.37 -0.03 0.05 -0.04 2.56 2.17 2dgaA1 MET 344 HE3 -0.27 0.02 0.02 -0.04 2.10 1.83 2dgaA1 SER 345 H 0.19 0.44 0.25 -0.55 8.46 8.79 2dgaA1 SER 345 HA 0.05 0.13 0.43 -0.75 4.49 4.34 2dgaA1 SER 345 HB2 0.04 0.02 0.13 -0.04 3.95 4.11 2dgaA1 SER 345 HB3 0.05 0.14 -0.30 -0.04 3.93 3.78 2dgaA1 PRO 346 HA 0.03 0.16 0.44 -0.51 4.44 4.56 2dgaA1 PRO 346 HB2 0.01 0.04 0.05 -0.04 2.28 2.34 2dgaA1 PRO 346 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 2dgaA1 PRO 346 HG2 0.02 0.03 -0.00 -0.04 2.03 2.04 2dgaA1 PRO 346 HG3 0.02 0.05 0.06 -0.04 2.03 2.11 2dgaA1 PRO 346 HD2 0.03 0.09 0.22 -0.04 3.68 3.98 2dgaA1 PRO 346 HD3 0.02 0.15 0.16 -0.04 3.65 3.94 2dgaA1 ASP 347 H 0.06 -0.01 -0.61 -0.55 8.40 7.30 2dgaA1 ASP 347 HA 0.03 0.12 0.49 -0.75 4.63 4.52 2dgaA1 ASP 347 HB2 0.07 -0.01 -0.07 -0.04 2.71 2.66 2dgaA1 ASP 347 HB3 0.05 0.01 0.05 -0.04 2.70 2.77 2dgaA1 PHE 348 H 0.15 0.51 -0.26 -0.55 8.34 8.19 2dgaA1 PHE 348 HA -0.04 0.14 0.92 -0.75 4.62 4.89 2dgaA1 PHE 348 HB2 -0.03 -0.05 -0.11 -0.04 3.15 2.92 2dgaA1 PHE 348 HB3 0.04 0.03 0.13 -0.04 3.06 3.22 2dgaA1 PHE 348 HD2 -0.11 0.02 -0.06 -0.04 7.28 7.09 2dgaA1 PHE 348 HE2 -0.58 0.03 -0.07 -0.04 7.38 6.72 2dgaA1 PHE 348 HZ -0.31 -0.09 -0.03 -0.04 7.32 6.84 2dgaA1 THR 349 H -0.56 0.20 0.04 -0.55 8.28 7.40 2dgaA1 THR 349 HA -0.29 0.24 0.92 -0.75 4.39 4.51 2dgaA1 THR 349 HB -0.20 -0.05 0.05 -0.04 4.32 4.07 2dgaA1 THR 349 HG23 -0.13 0.04 -0.09 -0.04 1.22 1.00 2dgaA1 PRO 350 HA -0.41 -0.08 0.43 -0.51 4.44 3.86 2dgaA1 PRO 350 HB2 -0.10 0.04 -0.03 -0.04 2.28 2.15 2dgaA1 PRO 350 HB3 -0.12 -0.03 -0.08 -0.04 2.02 1.74 2dgaA1 PRO 350 HG2 0.02 0.12 -0.01 -0.04 2.03 2.12 2dgaA1 PRO 350 HG3 -0.21 0.06 -0.10 -0.04 2.03 1.74 2dgaA1 PRO 350 HD2 -0.13 0.12 0.17 -0.04 3.68 3.80 2dgaA1 PRO 350 HD3 -0.23 0.23 0.08 -0.04 3.65 3.69 2dgaA1 THR 351 H -0.16 -0.15 0.25 -0.55 8.28 7.68 2dgaA1 THR 351 HA -0.09 0.22 0.80 -0.75 4.39 4.56 2dgaA1 THR 351 HB -0.07 -0.01 0.05 -0.04 4.32 4.25 2dgaA1 THR 351 HG23 -0.13 0.08 -0.15 -0.04 1.22 0.98 2dgaA1 LEU 352 H -0.08 -0.05 0.22 -0.55 8.37 7.91 2dgaA1 LEU 352 HA -0.05 0.24 0.82 -0.75 4.35 4.60 2dgaA1 LEU 352 HB2 -0.04 -0.01 0.12 -0.04 1.64 1.66 2dgaA1 LEU 352 HB3 -0.04 -0.14 -0.01 -0.04 1.64 1.41 2dgaA1 LEU 352 HG -0.04 0.06 -0.06 -0.04 1.64 1.56 2dgaA1 LEU 352 HD13 -0.01 0.00 -0.01 -0.04 0.93 0.87 2dgaA1 LEU 352 HD23 -0.03 0.02 -0.03 -0.04 0.89 0.81 2dgaA1 ASN 353 H -0.05 0.34 0.21 -0.55 8.53 8.48 2dgaA1 ASN 353 HA 0.04 0.12 0.35 -0.75 4.76 4.51 2dgaA1 ASN 353 HB2 -0.27 0.01 0.03 -0.04 2.88 2.61 2dgaA1 ASN 353 HB3 -0.21 0.30 0.22 -0.04 2.79 3.06 2dgaA1 ASN 353 HD21 0.17 -0.06 -0.05 -0.04 7.03 7.05 2dgaA1 ASN 353 HD22 0.17 0.05 -0.15 -0.04 7.74 7.77 2dgaA1 THR 354 H -0.05 0.06 -0.22 -0.55 8.28 7.53 2dgaA1 THR 354 HA -0.55 0.12 0.34 -0.75 4.39 3.55 2dgaA1 THR 354 HB -0.11 0.05 0.05 -0.04 4.32 4.27 2dgaA1 THR 354 HG23 0.06 0.00 0.01 -0.04 1.22 1.26 2dgaA1 ASP 355 H -0.10 0.48 -0.45 -0.55 8.40 7.78 2dgaA1 ASP 355 HA -0.08 0.04 0.41 -0.75 4.63 4.26 2dgaA1 ASP 355 HB2 -0.10 0.19 0.13 -0.04 2.71 2.89 2dgaA1 ASP 355 HB3 -0.02 0.04 0.04 -0.04 2.70 2.71 2dgaA1 ASP 356 H -0.12 0.51 -0.29 -0.55 8.40 7.95 2dgaA1 ASP 356 HA 0.05 0.09 0.33 -0.75 4.63 4.35 2dgaA1 ASP 356 HB2 0.08 0.12 0.05 -0.04 2.71 2.91 2dgaA1 ASP 356 HB3 0.03 -0.02 -0.02 -0.04 2.70 2.65 2dgaA1 ALA 357 H -0.29 0.28 -0.56 -0.55 8.40 7.28 2dgaA1 ALA 357 HA 0.03 0.12 0.49 -0.75 4.34 4.23 2dgaA1 ALA 357 HB3 -0.23 0.00 -0.05 -0.04 1.41 1.09 2dgaA1 TYR 358 H -0.17 0.42 -0.28 -0.55 8.29 7.71 2dgaA1 TYR 358 HA -0.22 0.02 0.25 -0.75 4.56 3.85 2dgaA1 TYR 358 HB2 -0.08 0.08 -0.30 -0.04 3.06 2.73 2dgaA1 TYR 358 HB3 -0.20 0.04 0.26 -0.04 2.98 3.04 2dgaA1 TYR 358 HD2 -0.13 0.13 -0.29 -0.04 7.15 6.82 2dgaA1 TYR 358 HE2 0.11 0.03 -0.03 -0.04 6.85 6.92 2dgaA1 ALA 359 H -0.15 0.15 -0.38 -0.55 8.40 7.48 2dgaA1 ALA 359 HA -0.10 0.22 0.57 -0.75 4.34 4.28 2dgaA1 ALA 359 HB3 -0.05 -0.01 -0.18 -0.04 1.41 1.13 2dgaA1 SER 360 H -0.12 0.56 0.15 -0.55 8.46 8.50 2dgaA1 SER 360 HA -0.06 0.09 0.64 -0.75 4.49 4.40 2dgaA1 SER 360 HB2 -0.06 0.04 -0.02 -0.04 3.95 3.87 2dgaA1 SER 360 HB3 -0.14 0.01 0.02 -0.04 3.93 3.78 2dgaA1 SER 361 H 0.04 0.14 0.16 -0.55 8.46 8.24 2dgaA1 SER 361 HA 0.18 0.26 0.78 -0.75 4.49 4.96 2dgaA1 SER 361 HB2 0.13 -0.05 0.15 -0.04 3.95 4.13 2dgaA1 SER 361 HB3 0.19 0.02 -0.03 -0.04 3.93 4.06 2dgaA1 GLU 362 H 0.18 0.79 0.34 -0.55 8.60 9.36 2dgaA1 GLU 362 HA 0.08 0.15 0.95 -0.75 4.29 4.72 2dgaA1 GLU 362 HB2 0.31 0.01 0.06 -0.04 2.09 2.43 2dgaA1 GLU 362 HB3 0.15 -0.01 0.10 -0.04 1.99 2.19 2dgaA1 GLU 362 HG2 -0.00 0.06 -0.30 -0.04 2.34 2.05 2dgaA1 GLU 362 HG3 -0.25 -0.02 -0.10 -0.04 2.34 1.93 2dgaA1 THR 363 H 0.06 0.17 0.19 -0.55 8.28 8.15 2dgaA1 THR 363 HA -0.18 0.16 0.73 -0.75 4.39 4.35 2dgaA1 THR 363 HB -0.65 -0.01 0.14 -0.04 4.32 3.76 2dgaA1 THR 363 HG23 -0.03 0.03 0.02 -0.04 1.22 1.20 2dgaA1 THR 364 H 0.14 0.04 -0.05 -0.55 8.28 7.86 2dgaA1 THR 364 HA 0.12 0.32 0.84 -0.75 4.39 4.92 2dgaA1 THR 364 HB 0.02 0.05 -0.36 -0.04 4.32 3.99 2dgaA1 THR 364 HG23 0.08 -0.03 -0.25 -0.04 1.22 0.98 2dgaA1 GLY 365 H -0.30 0.53 0.07 -0.55 8.43 8.17 2dgaA1 GLY 365 HA2 -1.27 0.16 0.67 -0.51 4.01 3.06 2dgaA1 GLY 365 HA3 -1.46 0.05 0.33 -0.51 4.01 2.42 2dgaA1 SER 366 H -1.00 0.54 0.26 -0.55 8.46 7.71 2dgaA1 SER 366 HA -0.72 0.07 0.31 -0.75 4.49 3.40 2dgaA1 SER 366 HB2 -0.26 -0.01 0.09 -0.04 3.95 3.73 2dgaA1 SER 366 HB3 -0.62 0.04 0.10 -0.04 3.93 3.41 2dgaA1 ASP 367 H -0.30 0.05 -0.33 -0.55 8.40 7.27 2dgaA1 ASP 367 HA -0.10 0.20 0.71 -0.75 4.63 4.69 2dgaA1 ASP 367 HB2 -0.05 0.05 0.14 -0.04 2.71 2.80 2dgaA1 ASP 367 HB3 -0.09 0.00 0.05 -0.04 2.70 2.62 2dgaA1 GLY 368 H -0.17 0.58 -0.37 -0.55 8.43 7.92 2dgaA1 GLY 368 HA2 -0.02 0.04 0.23 -0.51 4.01 3.75 2dgaA1 GLY 368 HA3 -0.02 0.13 0.52 -0.51 4.01 4.13 2dgaA1 ASN 369 H -0.07 -0.04 -0.38 -0.55 8.53 7.49 2dgaA1 ASN 369 HA 0.04 0.13 0.60 -0.75 4.76 4.78 2dgaA1 ASN 369 HB2 0.01 -0.10 -0.02 -0.04 2.88 2.73 2dgaA1 ASN 369 HB3 0.06 0.16 -0.02 -0.04 2.79 2.94 2dgaA1 ASN 369 HD21 0.01 0.02 -0.04 -0.04 7.03 6.98 2dgaA1 ASN 369 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.67 2dgaA1 ASP 370 H 0.10 0.10 0.15 -0.55 8.40 8.20 2dgaA1 ASP 370 HA 0.11 0.18 0.51 -0.75 4.63 4.68 2dgaA1 ASP 370 HB2 0.19 -0.03 0.06 -0.04 2.71 2.89 2dgaA1 ASP 370 HB3 0.32 0.05 0.10 -0.04 2.70 3.13 2dgaA1 ILE 371 H 0.00 0.46 0.30 -0.55 8.25 8.46 2dgaA1 ILE 371 HA 0.12 0.02 0.31 -0.75 4.18 3.88 2dgaA1 ILE 371 HB -0.40 0.01 -0.01 -0.04 1.89 1.45 2dgaA1 ILE 371 HG12 -1.09 -0.01 -0.20 -0.04 1.49 0.15 2dgaA1 ILE 371 HG13 -1.00 -0.02 -0.05 -0.04 1.21 0.10 2dgaA1 ILE 371 HG23 -0.21 0.06 -0.08 -0.04 0.93 0.66 2dgaA1 ILE 371 HD13 -1.08 -0.02 -0.43 -0.04 0.88 -0.68 2dgaA1 GLY 372 H 0.22 0.16 -0.16 -0.55 8.43 8.10 2dgaA1 GLY 372 HA2 0.17 0.10 0.42 -0.51 4.01 4.19 2dgaA1 GLY 372 HA3 0.23 0.31 0.23 -0.51 4.01 4.27 2dgaA1 PRO 373 HA 0.09 0.01 0.50 -0.51 4.44 4.53 2dgaA1 PRO 373 HB2 -0.07 -0.02 0.05 -0.04 2.28 2.19 2dgaA1 PRO 373 HB3 -0.02 0.19 0.13 -0.04 2.02 2.28 2dgaA1 PRO 373 HG2 -0.24 0.04 0.11 -0.04 2.03 1.90 2dgaA1 PRO 373 HG3 -0.04 0.04 0.10 -0.04 2.03 2.08 2dgaA1 PRO 373 HD2 0.05 0.16 0.28 -0.04 3.68 4.13 2dgaA1 PRO 373 HD3 0.07 0.13 0.24 -0.04 3.65 4.05 2dgaA1 ILE 374 H 0.03 0.10 0.21 -0.55 8.25 8.03 2dgaA1 ILE 374 HA -0.33 0.12 0.57 -0.75 4.18 3.80 2dgaA1 ILE 374 HB -0.08 -0.00 0.11 -0.04 1.89 1.87 2dgaA1 ILE 374 HG12 -1.00 0.05 -0.03 -0.04 1.49 0.47 2dgaA1 ILE 374 HG13 -0.15 -0.01 0.09 -0.04 1.21 1.09 2dgaA1 ILE 374 HG23 -0.22 -0.04 -0.16 -0.04 0.93 0.46 2dgaA1 ILE 374 HD13 -0.05 -0.00 0.01 -0.04 0.88 0.79 2dgaA1 THR 375 H -0.19 0.42 0.25 -0.55 8.28 8.21 2dgaA1 THR 375 HA -0.06 0.24 0.86 -0.75 4.39 4.68 2dgaA1 THR 375 HB -0.24 -0.07 0.11 -0.04 4.32 4.08 2dgaA1 THR 375 HG23 0.20 0.04 -0.09 -0.04 1.22 1.33 2dgaA1 GLY 376 H -0.20 0.13 -0.19 -0.55 8.43 7.63 2dgaA1 GLY 376 HA2 -0.17 0.01 0.32 -0.51 4.01 3.66 2dgaA1 GLY 376 HA3 -0.25 0.30 0.79 -0.51 4.01 4.34 2dgaA1 THR 377 H -0.32 0.14 0.04 -0.55 8.28 7.60 2dgaA1 THR 377 HA -0.04 0.15 0.53 -0.75 4.39 4.27 2dgaA1 THR 377 HB -0.21 0.04 0.02 -0.04 4.32 4.13 2dgaA1 THR 377 HG23 -0.68 -0.05 -0.05 -0.04 1.22 0.39 2dgaA1 TYR 378 H 0.26 0.16 0.13 -0.55 8.29 8.29 2dgaA1 TYR 378 HA -0.04 0.13 0.27 -0.75 4.56 4.16 2dgaA1 TYR 378 HB2 0.11 0.05 0.08 -0.04 3.06 3.26 2dgaA1 TYR 378 HB3 0.07 0.04 0.13 -0.04 2.98 3.18 2dgaA1 TYR 378 HD2 0.20 0.01 -0.11 -0.04 7.15 7.21 2dgaA1 TYR 378 HE2 0.17 0.01 -0.05 -0.04 6.85 6.94 2dgaA1 TRP 379 H -0.51 -0.02 -0.35 -0.55 7.97 6.54 2dgaA1 TRP 379 HA 0.12 0.30 0.92 -0.75 4.62 5.21 2dgaA1 TRP 379 HB2 -0.03 0.03 0.05 -0.04 3.23 3.23 2dgaA1 TRP 379 HB3 -0.50 -0.00 -0.06 -0.04 3.23 2.63 2dgaA1 TRP 379 HD1 -0.93 -0.05 -0.06 -0.04 7.22 6.14 2dgaA1 TRP 379 HE1 -0.04 -0.01 -0.10 -0.04 10.20 10.02 2dgaA1 TRP 379 HE3 0.02 0.02 -0.17 -0.04 7.59 7.41 2dgaA1 TRP 379 HZ2 -0.18 -0.01 -0.14 -0.04 7.44 7.07 2dgaA1 TRP 379 HZ3 -0.00 -0.03 -0.12 -0.04 7.13 6.94 2dgaA1 TRP 379 HH2 -0.86 0.00 -0.15 -0.04 7.19 6.15 2dgaA1 ILE 380 H -0.65 0.21 -0.20 -0.55 8.25 7.05 2dgaA1 ILE 380 HA -0.29 0.20 0.86 -0.75 4.18 4.19 2dgaA1 ILE 380 HB -0.59 -0.11 0.17 -0.04 1.89 1.33 2dgaA1 ILE 380 HG12 -1.74 0.06 -0.17 -0.04 1.49 -0.40 2dgaA1 ILE 380 HG13 -2.41 -0.17 -0.15 -0.04 1.21 -1.55 2dgaA1 ILE 380 HG23 -0.24 0.06 -0.11 -0.04 0.93 0.59 2dgaA1 ILE 380 HD13 -0.55 0.02 -0.01 -0.04 0.88 0.30 2dgaA1 TYR 381 H 0.31 0.25 0.09 -0.55 8.29 8.38 2dgaA1 TYR 381 HA 0.06 0.21 0.57 -0.75 4.56 4.65 2dgaA1 TYR 381 HB2 0.05 -0.02 0.09 -0.04 3.06 3.15 2dgaA1 TYR 381 HB3 0.07 0.01 -0.16 -0.04 2.98 2.86 2dgaA1 TYR 381 HD2 0.08 0.19 -0.08 -0.04 7.15 7.29 2dgaA1 TYR 381 HE2 0.13 0.02 0.05 -0.04 6.85 7.00 2dgaA1 MET 382 H 0.21 0.78 0.08 -0.55 8.47 9.00 2dgaA1 MET 382 HA 0.41 0.06 0.53 -0.75 4.52 4.77 2dgaA1 MET 382 HB2 0.38 0.03 0.04 -0.04 2.15 2.56 2dgaA1 MET 382 HB3 0.15 0.01 0.17 -0.04 2.03 2.32 2dgaA1 MET 382 HG2 0.10 -0.04 -0.18 -0.04 2.63 2.47 2dgaA1 MET 382 HG3 0.32 -0.03 -0.02 -0.04 2.56 2.79 2dgaA1 MET 382 HE3 -0.27 0.01 -0.02 -0.04 2.10 1.78 2dgaA1 TYR 383 H 0.40 0.20 0.02 -0.55 8.29 8.35 2dgaA1 TYR 383 HA 0.05 0.19 0.63 -0.75 4.56 4.67 2dgaA1 TYR 383 HB2 0.09 0.12 -0.45 -0.04 3.06 2.78 2dgaA1 TYR 383 HB3 0.14 -0.10 0.06 -0.04 2.98 3.03 2dgaA1 TYR 383 HD2 0.04 0.06 0.01 -0.04 7.15 7.22 2dgaA1 TYR 383 HE2 -0.00 0.05 -0.08 -0.04 6.85 6.78 2dgaA1 PRO 384 HA -0.33 0.07 0.41 -0.51 4.44 4.07 2dgaA1 PRO 384 HB2 -0.42 0.09 -0.04 -0.04 2.28 1.87 2dgaA1 PRO 384 HB3 -1.17 0.06 -0.08 -0.04 2.02 0.79 2dgaA1 PRO 384 HG2 -0.27 0.01 0.02 -0.04 2.03 1.74 2dgaA1 PRO 384 HG3 -0.28 0.11 -0.02 -0.04 2.03 1.80 2dgaA1 PRO 384 HD2 -0.12 0.20 0.03 -0.04 3.68 3.74 2dgaA1 PRO 384 HD3 -0.14 0.13 -0.03 -0.04 3.65 3.58 2dgaA1 LYS 385 H -0.53 0.16 -0.32 -0.55 8.42 7.18 2dgaA1 LYS 385 HA -0.22 0.10 0.36 -0.75 4.32 3.80 2dgaA1 LYS 385 HB2 -0.98 0.00 -0.02 -0.04 1.87 0.83 2dgaA1 LYS 385 HB3 -0.24 0.03 -0.03 -0.04 1.79 1.51 2dgaA1 LYS 385 HG2 -0.21 0.04 0.01 -0.04 1.46 1.26 2dgaA1 LYS 385 HG3 -0.38 -0.03 0.02 -0.04 1.46 1.02 2dgaA1 LYS 385 HD2 -0.35 0.02 -0.02 -0.04 1.69 1.31 2dgaA1 LYS 385 HD3 -0.13 0.01 -0.02 -0.04 1.68 1.50 2dgaA1 LYS 385 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 2dgaA1 LYS 385 HE3 -0.09 0.01 -0.01 -0.04 2.99 2.86 2dgaA1 GLY 386 H -0.15 0.32 -0.33 -0.55 8.43 7.72 2dgaA1 GLY 386 HA2 0.16 0.04 0.32 -0.51 4.01 4.02 2dgaA1 GLY 386 HA3 0.33 0.05 0.21 -0.51 4.01 4.09 2dgaA1 LEU 387 H -0.30 0.33 -0.36 -0.55 8.37 7.49 2dgaA1 LEU 387 HA -0.58 0.02 0.41 -0.75 4.35 3.44 2dgaA1 LEU 387 HB2 -1.38 -0.05 0.01 -0.04 1.64 0.19 2dgaA1 LEU 387 HB3 -0.36 0.19 0.12 -0.04 1.64 1.55 2dgaA1 LEU 387 HG -0.13 0.04 -0.32 -0.04 1.64 1.18 2dgaA1 LEU 387 HD13 -0.20 -0.03 -0.03 -0.04 0.93 0.64 2dgaA1 LEU 387 HD23 0.05 0.01 -0.04 -0.04 0.89 0.87 2dgaA1 THR 388 H -0.16 0.34 -0.06 -0.55 8.28 7.85 2dgaA1 THR 388 HA -0.04 0.07 0.38 -0.75 4.39 4.05 2dgaA1 THR 388 HB -0.07 0.05 0.13 -0.04 4.32 4.39 2dgaA1 THR 388 HG23 -0.03 -0.01 -0.10 -0.04 1.22 1.05 2dgaA1 ASP 389 H -0.04 0.54 -0.20 -0.55 8.40 8.15 2dgaA1 ASP 389 HA 0.02 0.04 0.36 -0.75 4.63 4.30 2dgaA1 ASP 389 HB2 0.06 0.07 0.13 -0.04 2.71 2.93 2dgaA1 ASP 389 HB3 0.07 -0.03 -0.00 -0.04 2.70 2.70 2dgaA1 LEU 390 H 0.01 0.46 -0.18 -0.55 8.37 8.12 2dgaA1 LEU 390 HA 0.09 -0.01 0.45 -0.75 4.35 4.13 2dgaA1 LEU 390 HB2 0.02 0.12 0.12 -0.04 1.64 1.87 2dgaA1 LEU 390 HB3 0.10 -0.05 -0.05 -0.04 1.64 1.60 2dgaA1 LEU 390 HG 0.14 0.13 0.07 -0.04 1.64 1.94 2dgaA1 LEU 390 HD13 0.25 -0.01 -0.37 -0.04 0.93 0.76 2dgaA1 LEU 390 HD23 0.18 -0.00 0.01 -0.04 0.89 1.04 2dgaA1 LEU 391 H 0.00 0.61 -0.16 -0.55 8.37 8.27 2dgaA1 LEU 391 HA 0.05 0.01 0.39 -0.75 4.35 4.04 2dgaA1 LEU 391 HB2 0.01 0.14 0.14 -0.04 1.64 1.89 2dgaA1 LEU 391 HB3 0.03 -0.02 -0.02 -0.04 1.64 1.59 2dgaA1 LEU 391 HG -0.02 0.16 0.02 -0.04 1.64 1.76 2dgaA1 LEU 391 HD13 0.03 -0.01 -0.10 -0.04 0.93 0.80 2dgaA1 LEU 391 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.78 2dgaA1 LEU 392 H 0.03 0.49 -0.24 -0.55 8.37 8.11 2dgaA1 LEU 392 HA 0.03 0.09 0.54 -0.75 4.35 4.26 2dgaA1 LEU 392 HB2 0.02 0.10 0.15 -0.04 1.64 1.87 2dgaA1 LEU 392 HB3 0.02 -0.06 0.01 -0.04 1.64 1.58 2dgaA1 LEU 392 HG 0.01 -0.04 0.00 -0.04 1.64 1.57 2dgaA1 LEU 392 HD13 0.01 0.01 0.03 -0.04 0.93 0.94 2dgaA1 LEU 392 HD23 0.01 0.05 -0.05 -0.04 0.89 0.86 2dgaA1 ILE 393 H 0.06 0.39 -0.25 -0.55 8.25 7.91 2dgaA1 ILE 393 HA 0.04 0.02 0.51 -0.75 4.18 4.00 2dgaA1 ILE 393 HB 0.11 0.17 0.20 -0.04 1.89 2.33 2dgaA1 ILE 393 HG12 0.06 -0.05 0.03 -0.04 1.49 1.49 2dgaA1 ILE 393 HG13 0.07 0.22 0.07 -0.04 1.21 1.53 2dgaA1 ILE 393 HG23 0.14 -0.03 -0.11 -0.04 0.93 0.89 2dgaA1 ILE 393 HD13 0.11 -0.04 -0.03 -0.04 0.88 0.89 2dgaA1 MET 394 H 0.10 0.52 -0.13 -0.55 8.47 8.41 2dgaA1 MET 394 HA 0.23 -0.03 0.35 -0.75 4.52 4.31 2dgaA1 MET 394 HB2 0.08 0.21 0.12 -0.04 2.15 2.51 2dgaA1 MET 394 HB3 0.09 0.05 -0.05 -0.04 2.03 2.09 2dgaA1 MET 394 HG2 0.09 0.18 0.01 -0.04 2.63 2.86 2dgaA1 MET 394 HG3 0.07 -0.03 -0.07 -0.04 2.56 2.49 2dgaA1 MET 394 HE3 0.02 0.02 -0.06 -0.04 2.10 2.04 2dgaA1 LYS 395 H 0.06 0.33 -0.35 -0.55 8.42 7.90 2dgaA1 LYS 395 HA 0.06 0.02 0.48 -0.75 4.32 4.12 2dgaA1 LYS 395 HB2 0.04 -0.04 0.07 -0.04 1.87 1.90 2dgaA1 LYS 395 HB3 0.03 0.02 0.16 -0.04 1.79 1.96 2dgaA1 LYS 395 HG2 0.02 -0.02 -0.40 -0.04 1.46 1.03 2dgaA1 LYS 395 HG3 0.03 0.06 -0.07 -0.04 1.46 1.44 2dgaA1 LYS 395 HD2 0.02 -0.07 -0.42 -0.04 1.69 1.18 2dgaA1 LYS 395 HD3 0.02 -0.05 -0.06 -0.04 1.68 1.54 2dgaA1 LYS 395 HE2 0.02 0.09 -0.04 -0.04 2.99 3.02 2dgaA1 LYS 395 HE3 0.01 0.23 0.13 -0.04 2.99 3.32 2dgaA1 GLU 396 H 0.03 0.67 0.02 -0.55 8.60 8.78 2dgaA1 GLU 396 HA 0.01 0.14 0.54 -0.75 4.29 4.22 2dgaA1 GLU 396 HB2 -0.00 -0.03 0.10 -0.04 2.09 2.11 2dgaA1 GLU 396 HB3 -0.00 -0.07 0.08 -0.04 1.99 1.96 2dgaA1 GLU 396 HG2 0.01 0.00 -0.00 -0.04 2.34 2.31 2dgaA1 GLU 396 HG3 0.02 0.24 0.17 -0.04 2.34 2.72 2dgaA1 LYS 397 H -0.02 0.57 -0.03 -0.55 8.42 8.39 2dgaA1 LYS 397 HA -0.13 0.19 0.96 -0.75 4.32 4.58 2dgaA1 LYS 397 HB2 -0.15 -0.08 0.04 -0.04 1.87 1.64 2dgaA1 LYS 397 HB3 -0.26 0.13 0.13 -0.04 1.79 1.74 2dgaA1 LYS 397 HG2 -1.07 0.03 -0.27 -0.04 1.46 0.11 2dgaA1 LYS 397 HG3 -0.33 -0.01 0.03 -0.04 1.46 1.11 2dgaA1 LYS 397 HD2 -0.17 -0.03 -0.01 -0.04 1.69 1.44 2dgaA1 LYS 397 HD3 -0.38 -0.02 -0.06 -0.04 1.68 1.19 2dgaA1 LYS 397 HE2 -0.44 0.01 -0.05 -0.04 2.99 2.47 2dgaA1 LYS 397 HE3 -0.20 0.01 -0.02 -0.04 2.99 2.75 2dgaA1 TYR 398 H 0.06 0.30 0.04 -0.55 8.29 8.13 2dgaA1 TYR 398 HA 0.02 0.20 0.87 -0.75 4.56 4.90 2dgaA1 TYR 398 HB2 0.02 0.04 0.15 -0.04 3.06 3.22 2dgaA1 TYR 398 HB3 0.02 0.03 0.18 -0.04 2.98 3.16 2dgaA1 TYR 398 HD2 0.01 0.06 -0.09 -0.04 7.15 7.09 2dgaA1 TYR 398 HE2 0.02 -0.04 -0.08 -0.04 6.85 6.71 2dgaA1 GLY 399 H 0.05 0.14 -0.43 -0.55 8.43 7.64 2dgaA1 GLY 399 HA2 0.05 -0.01 0.25 -0.51 4.01 3.79 2dgaA1 GLY 399 HA3 0.08 0.10 0.51 -0.51 4.01 4.19 2dgaA1 ASN 400 H 0.09 0.38 -0.03 -0.55 8.53 8.43 2dgaA1 ASN 400 HA 0.07 -0.08 0.12 -0.75 4.76 4.12 2dgaA1 ASN 400 HB2 0.04 0.08 -0.01 -0.04 2.88 2.95 2dgaA1 ASN 400 HB3 0.04 0.11 0.14 -0.04 2.79 3.04 2dgaA1 ASN 400 HD21 0.03 0.24 0.16 -0.04 7.03 7.42 2dgaA1 ASN 400 HD22 0.03 -0.03 0.07 -0.04 7.74 7.78 2dgaA1 PRO 401 HA 0.07 0.15 0.43 -0.51 4.44 4.58 2dgaA1 PRO 401 HB2 0.10 0.07 -0.06 -0.04 2.28 2.35 2dgaA1 PRO 401 HB3 0.09 0.06 0.02 -0.04 2.02 2.15 2dgaA1 PRO 401 HG2 0.09 -0.07 -0.19 -0.04 2.03 1.82 2dgaA1 PRO 401 HG3 0.08 -0.02 -0.05 -0.04 2.03 2.00 2dgaA1 PRO 401 HD2 0.10 -0.03 -0.05 -0.04 3.68 3.65 2dgaA1 PRO 401 HD3 0.10 0.30 -0.22 -0.04 3.65 3.80 2dgaA1 PRO 402 HA 0.01 0.18 0.56 -0.51 4.44 4.69 2dgaA1 PRO 402 HB2 0.16 -0.09 0.20 -0.04 2.28 2.52 2dgaA1 PRO 402 HB3 0.05 -0.01 0.09 -0.04 2.02 2.11 2dgaA1 PRO 402 HG2 0.10 0.11 0.17 -0.04 2.03 2.37 2dgaA1 PRO 402 HG3 0.07 0.02 0.12 -0.04 2.03 2.20 2dgaA1 PRO 402 HD2 0.11 0.23 0.24 -0.04 3.68 4.22 2dgaA1 PRO 402 HD3 0.08 0.11 0.26 -0.04 3.65 4.06 2dgaA1 VAL 403 H -0.07 0.68 0.45 -0.55 8.24 8.75 2dgaA1 VAL 403 HA 0.13 0.26 1.13 -0.75 4.13 4.90 2dgaA1 VAL 403 HB 0.01 0.01 0.02 -0.04 2.12 2.12 2dgaA1 VAL 403 HG13 0.05 -0.05 -0.25 -0.04 0.97 0.68 2dgaA1 VAL 403 HG23 0.08 0.06 -0.21 -0.04 0.95 0.84 2dgaA1 PHE 404 H 0.24 0.74 0.38 -0.55 8.34 9.14 2dgaA1 PHE 404 HA -0.23 0.10 0.93 -0.75 4.62 4.67 2dgaA1 PHE 404 HB2 -0.00 -0.05 -0.06 -0.04 3.15 3.00 2dgaA1 PHE 404 HB3 -0.63 0.01 -0.29 -0.04 3.06 2.11 2dgaA1 PHE 404 HD2 -0.22 -0.01 -0.29 -0.04 7.28 6.72 2dgaA1 PHE 404 HE2 0.04 0.09 -0.21 -0.04 7.38 7.25 2dgaA1 PHE 404 HZ 0.16 0.08 -0.15 -0.04 7.32 7.38 2dgaA1 ILE 405 H -0.22 0.72 0.16 -0.55 8.25 8.36 2dgaA1 ILE 405 HA -0.04 0.14 0.82 -0.75 4.18 4.35 2dgaA1 ILE 405 HB -0.19 -0.08 0.35 -0.04 1.89 1.93 2dgaA1 ILE 405 HG12 0.02 0.14 0.12 -0.04 1.49 1.72 2dgaA1 ILE 405 HG13 0.14 -0.01 0.04 -0.04 1.21 1.34 2dgaA1 ILE 405 HG23 -0.05 -0.02 -0.01 -0.04 0.93 0.81 2dgaA1 ILE 405 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.80 2dgaA1 THR 406 H -0.09 0.20 0.09 -0.55 8.28 7.93 2dgaA1 THR 406 HA -0.14 0.13 0.37 -0.75 4.39 4.00 2dgaA1 THR 406 HB -0.15 -0.04 -0.13 -0.04 4.32 3.96 2dgaA1 THR 406 HG23 -0.38 0.03 -0.20 -0.04 1.22 0.63 2dgaA1 GLU 407 H -0.04 0.33 -0.09 -0.55 8.60 8.25 2dgaA1 GLU 407 HA 0.19 0.18 0.44 -0.75 4.29 4.35 2dgaA1 GLU 407 HB2 0.03 -0.16 -0.08 -0.04 2.09 1.84 2dgaA1 GLU 407 HB3 0.12 -0.02 -0.13 -0.04 1.99 1.92 2dgaA1 GLU 407 HG2 0.52 0.03 -0.03 -0.04 2.34 2.81 2dgaA1 GLU 407 HG3 0.13 0.09 -0.51 -0.04 2.34 2.01 2dgaA1 ASN 408 H 0.12 -0.01 0.20 -0.55 8.53 8.29 2dgaA1 ASN 408 HA -0.35 0.35 0.61 -0.75 4.76 4.61 2dgaA1 ASN 408 HB2 -0.02 0.11 -0.01 -0.04 2.88 2.91 2dgaA1 ASN 408 HB3 -0.04 -0.02 -0.08 -0.04 2.79 2.61 2dgaA1 ASN 408 HD21 -0.36 -0.09 -0.00 -0.04 7.03 6.54 2dgaA1 ASN 408 HD22 0.06 0.54 0.29 -0.04 7.74 8.60 2dgaA1 GLY 409 H 0.10 0.33 0.26 -0.55 8.43 8.58 2dgaA1 GLY 409 HA2 0.20 0.05 0.33 -0.51 4.01 4.08 2dgaA1 GLY 409 HA3 0.33 0.24 0.65 -0.51 4.01 4.71 2dgaA1 ILE 410 H -0.03 0.33 0.22 -0.55 8.25 8.22 2dgaA1 ILE 410 HA -0.28 0.13 0.83 -0.75 4.18 4.11 2dgaA1 ILE 410 HB -0.47 -0.02 0.09 -0.04 1.89 1.44 2dgaA1 ILE 410 HG12 -0.29 -0.07 -0.02 -0.04 1.49 1.07 2dgaA1 ILE 410 HG13 -0.35 0.05 -0.56 -0.04 1.21 0.31 2dgaA1 ILE 410 HG23 -1.09 0.01 -0.21 -0.04 0.93 -0.40 2dgaA1 ILE 410 HD13 -0.36 0.05 -0.15 -0.04 0.88 0.38 2dgaA1 ALA 411 H -0.65 0.07 0.11 -0.55 8.40 7.39 2dgaA1 ALA 411 HA -0.86 0.44 0.83 -0.75 4.34 4.00 2dgaA1 ALA 411 HB3 -1.03 -0.05 -0.13 -0.04 1.41 0.16 2dgaA1 ASP 412 H -0.27 0.62 0.34 -0.55 8.40 8.55 2dgaA1 ASP 412 HA -0.23 0.15 0.82 -0.75 4.63 4.61 2dgaA1 ASP 412 HB2 -0.12 -0.04 0.21 -0.04 2.71 2.73 2dgaA1 ASP 412 HB3 -0.14 0.06 0.05 -0.04 2.70 2.62 2dgaA1 VAL 413 H -0.13 0.17 0.09 -0.55 8.24 7.82 2dgaA1 VAL 413 HA -0.05 0.33 1.11 -0.75 4.13 4.76 2dgaA1 VAL 413 HB -0.05 -0.01 -0.01 -0.04 2.12 2.01 2dgaA1 VAL 413 HG13 0.01 0.07 -0.12 -0.04 0.97 0.90 2dgaA1 VAL 413 HG23 -0.08 -0.03 -0.28 -0.04 0.95 0.53 2dgaA1 GLU 414 H 0.01 0.60 0.35 -0.55 8.60 9.01 2dgaA1 GLU 414 HA 0.01 0.03 0.48 -0.75 4.29 4.05 2dgaA1 GLU 414 HB2 0.04 0.05 0.20 -0.04 2.09 2.34 2dgaA1 GLU 414 HB3 0.03 -0.03 0.22 -0.04 1.99 2.17 2dgaA1 GLU 414 HG2 0.04 -0.02 0.01 -0.04 2.34 2.32 2dgaA1 GLU 414 HG3 0.03 0.02 -0.14 -0.04 2.34 2.21 2dgaA1 GLY 415 H -0.00 0.18 0.17 -0.55 8.43 8.23 2dgaA1 GLY 415 HA2 0.00 -0.00 0.31 -0.51 4.01 3.81 2dgaA1 GLY 415 HA3 0.01 0.18 0.74 -0.51 4.01 4.43 2dgaA1 ASP 416 H -0.02 0.51 -0.15 -0.55 8.40 8.19 2dgaA1 ASP 416 HA -0.02 0.06 0.56 -0.75 4.63 4.48 2dgaA1 ASP 416 HB2 -0.05 0.02 0.08 -0.04 2.71 2.72 2dgaA1 ASP 416 HB3 -0.07 0.10 0.23 -0.04 2.70 2.92 2dgaA1 GLU 417 H -0.01 0.24 0.22 -0.55 8.60 8.51 2dgaA1 GLU 417 HA -0.00 0.08 0.29 -0.75 4.29 3.91 2dgaA1 GLU 417 HB2 0.01 0.02 0.09 -0.04 2.09 2.16 2dgaA1 GLU 417 HB3 0.00 0.04 0.12 -0.04 1.99 2.11 2dgaA1 GLU 417 HG2 0.00 -0.06 0.15 -0.04 2.34 2.39 2dgaA1 GLU 417 HG3 0.01 0.07 -0.08 -0.04 2.34 2.30 2dgaA1 SER 418 H -0.02 0.02 -0.41 -0.55 8.46 7.51 2dgaA1 SER 418 HA 0.04 0.16 0.59 -0.75 4.49 4.52 2dgaA1 SER 418 HB2 0.04 0.06 0.12 -0.04 3.95 4.12 2dgaA1 SER 418 HB3 0.01 0.05 0.08 -0.04 3.93 4.03 2dgaA1 MET 419 H -0.04 0.48 -0.50 -0.55 8.47 7.86 2dgaA1 MET 419 HA -0.07 0.15 0.76 -0.75 4.52 4.61 2dgaA1 MET 419 HB2 -0.15 -0.06 -0.09 -0.04 2.15 1.80 2dgaA1 MET 419 HB3 -0.10 0.02 0.18 -0.04 2.03 2.08 2dgaA1 MET 419 HG2 -0.26 0.06 0.04 -0.04 2.63 2.43 2dgaA1 MET 419 HG3 -0.23 -0.07 0.04 -0.04 2.56 2.26 2dgaA1 MET 419 HE3 -0.17 0.04 -0.22 -0.04 2.10 1.71 2dgaA1 PRO 420 HA -0.02 0.09 0.52 -0.51 4.44 4.52 2dgaA1 PRO 420 HB2 -0.00 -0.02 0.00 -0.04 2.28 2.22 2dgaA1 PRO 420 HB3 -0.00 0.07 0.07 -0.04 2.02 2.12 2dgaA1 PRO 420 HG2 0.02 -0.06 0.02 -0.04 2.03 1.97 2dgaA1 PRO 420 HG3 0.02 0.07 0.03 -0.04 2.03 2.11 2dgaA1 PRO 420 HD2 0.03 0.18 -0.13 -0.04 3.68 3.72 2dgaA1 PRO 420 HD3 0.01 0.33 -0.33 -0.04 3.65 3.62 2dgaA1 ASP 421 H -0.02 0.20 -0.17 -0.55 8.40 7.86 2dgaA1 ASP 421 HA -0.07 0.24 0.87 -0.75 4.63 4.92 2dgaA1 ASP 421 HB2 -0.02 0.08 0.01 -0.04 2.71 2.74 2dgaA1 ASP 421 HB3 -0.01 0.01 0.19 -0.04 2.70 2.85 2dgaA1 PRO 422 HA -0.13 0.12 0.29 -0.51 4.44 4.20 2dgaA1 PRO 422 HB2 -0.61 -0.00 -0.03 -0.04 2.28 1.60 2dgaA1 PRO 422 HB3 -0.15 0.06 0.05 -0.04 2.02 1.95 2dgaA1 PRO 422 HG2 -0.56 -0.01 0.01 -0.04 2.03 1.42 2dgaA1 PRO 422 HG3 -0.41 0.05 0.03 -0.04 2.03 1.66 2dgaA1 PRO 422 HD2 -0.15 0.10 0.23 -0.04 3.68 3.82 2dgaA1 PRO 422 HD3 -0.11 0.26 0.06 -0.04 3.65 3.82 2dgaA1 LEU 423 H -0.18 0.08 -0.41 -0.55 8.37 7.32 2dgaA1 LEU 423 HA -0.10 0.16 0.74 -0.75 4.35 4.40 2dgaA1 LEU 423 HB2 -0.08 0.02 -0.01 -0.04 1.64 1.52 2dgaA1 LEU 423 HB3 -0.05 0.05 0.11 -0.04 1.64 1.72 2dgaA1 LEU 423 HG -0.27 -0.06 -0.06 -0.04 1.64 1.21 2dgaA1 LEU 423 HD13 -0.05 0.04 -0.05 -0.04 0.93 0.83 2dgaA1 LEU 423 HD23 -0.15 0.04 -0.22 -0.04 0.89 0.52 2dgaA1 ASP 424 H -0.05 0.38 -0.19 -0.55 8.40 7.99 2dgaA1 ASP 424 HA 0.06 0.09 0.67 -0.75 4.63 4.69 2dgaA1 ASP 424 HB2 0.04 -0.02 0.12 -0.04 2.71 2.81 2dgaA1 ASP 424 HB3 0.07 0.10 0.28 -0.04 2.70 3.10 2dgaA1 ASP 425 H -0.02 0.28 -0.22 -0.55 8.40 7.90 2dgaA1 ASP 425 HA -0.27 0.22 0.69 -0.75 4.63 4.52 2dgaA1 ASP 425 HB2 -0.16 -0.06 0.17 -0.04 2.71 2.61 2dgaA1 ASP 425 HB3 -0.11 0.21 0.01 -0.04 2.70 2.77 2dgaA1 TRP 426 H 0.00 0.48 -0.24 -0.55 7.97 7.67 2dgaA1 TRP 426 HA -0.09 0.05 0.36 -0.75 4.62 4.19 2dgaA1 TRP 426 HB2 -0.07 0.04 0.05 -0.04 3.23 3.20 2dgaA1 TRP 426 HB3 -0.06 0.02 0.06 -0.04 3.23 3.20 2dgaA1 TRP 426 HD1 -0.07 0.04 0.10 -0.04 7.22 7.25 2dgaA1 TRP 426 HE1 -0.08 0.08 0.11 -0.04 10.20 10.27 2dgaA1 TRP 426 HE3 -0.06 -0.07 -0.30 -0.04 7.59 7.12 2dgaA1 TRP 426 HZ2 -0.08 0.08 0.05 -0.04 7.44 7.45 2dgaA1 TRP 426 HZ3 0.14 0.11 -0.04 -0.04 7.13 7.29 2dgaA1 TRP 426 HH2 -0.01 0.07 0.03 -0.04 7.19 7.23 2dgaA1 LYS 427 H -1.26 0.15 -0.18 -0.55 8.42 6.58 2dgaA1 LYS 427 HA -0.70 0.13 0.46 -0.75 4.32 3.46 2dgaA1 LYS 427 HB2 -0.96 -0.04 0.09 -0.04 1.87 0.92 2dgaA1 LYS 427 HB3 -0.99 0.07 -0.02 -0.04 1.79 0.82 2dgaA1 LYS 427 HG2 -2.19 0.03 0.03 -0.04 1.46 -0.71 2dgaA1 LYS 427 HG3 -2.79 -0.02 0.05 -0.04 1.46 -1.34 2dgaA1 LYS 427 HD2 -0.80 -0.00 -0.00 -0.04 1.69 0.84 2dgaA1 LYS 427 HD3 -1.08 0.03 0.01 -0.04 1.68 0.60 2dgaA1 LYS 427 HE2 -0.46 0.04 -0.01 -0.04 2.99 2.52 2dgaA1 LYS 427 HE3 -0.56 0.01 0.01 -0.04 2.99 2.41 2dgaA1 ARG 428 H -0.36 0.11 -0.17 -0.55 8.46 7.48 2dgaA1 ARG 428 HA -0.14 0.05 0.39 -0.75 4.34 3.88 2dgaA1 ARG 428 HB2 -0.18 0.04 0.04 -0.04 1.90 1.77 2dgaA1 ARG 428 HB3 -0.12 0.06 0.14 -0.04 1.80 1.85 2dgaA1 ARG 428 HG2 0.04 -0.02 -0.32 -0.04 1.67 1.33 2dgaA1 ARG 428 HG3 0.00 -0.09 0.03 -0.04 1.67 1.57 2dgaA1 ARG 428 HD2 0.01 -0.06 -0.02 -0.04 3.22 3.11 2dgaA1 ARG 428 HD3 0.08 0.03 -0.11 -0.04 3.22 3.18 2dgaA1 LEU 429 H -0.09 0.44 -0.18 -0.55 8.37 7.99 2dgaA1 LEU 429 HA -0.12 0.04 0.41 -0.75 4.35 3.92 2dgaA1 LEU 429 HB2 -0.06 -0.08 0.05 -0.04 1.64 1.51 2dgaA1 LEU 429 HB3 -0.06 0.09 0.14 -0.04 1.64 1.76 2dgaA1 LEU 429 HG -0.50 0.02 -0.20 -0.04 1.64 0.92 2dgaA1 LEU 429 HD13 -0.82 -0.01 0.07 -0.04 0.93 0.13 2dgaA1 LEU 429 HD23 -0.16 0.00 -0.08 -0.04 0.89 0.62 2dgaA1 ASP 430 H 0.01 0.59 -0.11 -0.55 8.40 8.34 2dgaA1 ASP 430 HA -0.09 0.02 0.42 -0.75 4.63 4.22 2dgaA1 ASP 430 HB2 0.22 0.07 0.16 -0.04 2.71 3.11 2dgaA1 ASP 430 HB3 0.35 0.09 0.13 -0.04 2.70 3.23 2dgaA1 TYR 431 H 0.21 0.62 -0.14 -0.55 8.29 8.43 2dgaA1 TYR 431 HA 0.20 -0.01 0.41 -0.75 4.56 4.41 2dgaA1 TYR 431 HB2 0.15 0.03 0.08 -0.04 3.06 3.28 2dgaA1 TYR 431 HB3 0.03 0.10 0.17 -0.04 2.98 3.23 2dgaA1 TYR 431 HD2 0.11 0.04 -0.21 -0.04 7.15 7.05 2dgaA1 TYR 431 HE2 -0.05 -0.01 -0.08 -0.04 6.85 6.67 2dgaA1 LEU 432 H 0.19 0.71 -0.10 -0.55 8.37 8.62 2dgaA1 LEU 432 HA 0.23 -0.03 0.38 -0.75 4.35 4.18 2dgaA1 LEU 432 HB2 -0.00 0.10 0.16 -0.04 1.64 1.86 2dgaA1 LEU 432 HB3 0.16 -0.02 -0.01 -0.04 1.64 1.73 2dgaA1 LEU 432 HG 0.27 0.08 0.06 -0.04 1.64 2.01 2dgaA1 LEU 432 HD13 0.31 -0.01 -0.05 -0.04 0.93 1.14 2dgaA1 LEU 432 HD23 0.43 -0.01 -0.07 -0.04 0.89 1.20 2dgaA1 GLN 433 H -0.22 0.64 -0.10 -0.55 8.47 8.25 2dgaA1 GLN 433 HA -0.33 0.03 0.46 -0.75 4.36 3.77 2dgaA1 GLN 433 HB2 -0.28 0.06 0.19 -0.04 2.15 2.07 2dgaA1 GLN 433 HB3 -0.34 -0.01 0.09 -0.04 2.02 1.72 2dgaA1 GLN 433 HG2 -1.48 0.00 0.05 -0.04 2.40 0.93 2dgaA1 GLN 433 HG3 -0.94 0.20 0.12 -0.04 2.39 1.72 2dgaA1 GLN 433 HE21 -0.84 -0.03 -0.04 -0.04 6.97 6.01 2dgaA1 GLN 433 HE22 -2.81 0.04 -0.02 -0.04 7.69 4.86 2dgaA1 ARG 434 H -0.06 0.61 -0.14 -0.55 8.46 8.32 2dgaA1 ARG 434 HA -0.06 0.05 0.47 -0.75 4.34 4.05 2dgaA1 ARG 434 HB2 -0.07 0.15 0.19 -0.04 1.90 2.13 2dgaA1 ARG 434 HB3 -0.19 -0.12 0.03 -0.04 1.80 1.47 2dgaA1 ARG 434 HG2 -0.08 -0.05 0.04 -0.04 1.67 1.54 2dgaA1 ARG 434 HG3 -0.05 0.14 0.09 -0.04 1.67 1.81 2dgaA1 ARG 434 HD2 0.01 0.01 -0.08 -0.04 3.22 3.13 2dgaA1 ARG 434 HD3 -0.08 -0.07 -0.02 -0.04 3.22 3.01 2dgaA1 HIS 435 H 0.07 0.52 -0.16 -0.55 8.41 8.31 2dgaA1 HIS 435 HA -0.05 -0.01 0.63 -0.75 4.63 4.44 2dgaA1 HIS 435 HB2 -0.01 0.13 0.11 -0.04 3.26 3.46 2dgaA1 HIS 435 HB3 0.09 -0.03 0.02 -0.04 3.20 3.23 2dgaA1 HIS 435 HD2 0.10 -0.03 -0.05 -0.04 6.97 6.95 2dgaA1 HIS 435 HE1 -0.67 -0.05 -0.05 -0.04 7.75 6.95 2dgaA1 ILE 436 H 0.03 0.61 -0.10 -0.55 8.25 8.24 2dgaA1 ILE 436 HA 0.10 0.02 0.44 -0.75 4.18 3.98 2dgaA1 ILE 436 HB 0.00 0.12 0.18 -0.04 1.89 2.16 2dgaA1 ILE 436 HG12 -0.31 -0.05 -0.01 -0.04 1.49 1.07 2dgaA1 ILE 436 HG13 -0.24 0.12 0.06 -0.04 1.21 1.10 2dgaA1 ILE 436 HG23 0.32 -0.01 -0.12 -0.04 0.93 1.08 2dgaA1 ILE 436 HD13 -0.06 -0.01 -0.11 -0.04 0.88 0.66 2dgaA1 SER 437 H 0.11 0.48 -0.25 -0.55 8.46 8.25 2dgaA1 SER 437 HA 0.49 0.05 0.46 -0.75 4.49 4.74 2dgaA1 SER 437 HB2 0.26 0.14 0.16 -0.04 3.95 4.47 2dgaA1 SER 437 HB3 0.09 0.09 0.16 -0.04 3.93 4.23 2dgaA1 ALA 438 H 0.02 0.36 -0.26 -0.55 8.40 7.97 2dgaA1 ALA 438 HA -0.03 0.00 0.43 -0.75 4.34 3.99 2dgaA1 ALA 438 HB3 -0.14 0.01 0.10 -0.04 1.41 1.35 2dgaA1 VAL 439 H 0.15 0.46 -0.37 -0.55 8.24 7.93 2dgaA1 VAL 439 HA 0.11 -0.01 0.44 -0.75 4.13 3.92 2dgaA1 VAL 439 HB 0.28 0.21 0.14 -0.04 2.12 2.71 2dgaA1 VAL 439 HG13 0.30 -0.01 -0.17 -0.04 0.97 1.05 2dgaA1 VAL 439 HG23 0.21 0.03 0.00 -0.04 0.95 1.15 2dgaA1 LYS 440 H 0.29 0.43 -0.18 -0.55 8.42 8.40 2dgaA1 LYS 440 HA 0.01 0.06 0.41 -0.75 4.32 4.04 2dgaA1 LYS 440 HB2 0.05 0.03 0.10 -0.04 1.87 2.01 2dgaA1 LYS 440 HB3 0.14 0.15 0.22 -0.04 1.79 2.26 2dgaA1 LYS 440 HG2 -0.46 -0.03 0.00 -0.04 1.46 0.93 2dgaA1 LYS 440 HG3 -0.26 -0.04 -0.22 -0.04 1.46 0.90 2dgaA1 LYS 440 HD2 -0.26 -0.11 0.09 -0.04 1.69 1.37 2dgaA1 LYS 440 HD3 -0.61 0.09 0.03 -0.04 1.68 1.14 2dgaA1 LYS 440 HE2 -0.32 0.13 0.11 -0.04 2.99 2.86 2dgaA1 LYS 440 HE3 -0.58 -0.07 0.09 -0.04 2.99 2.38 2dgaA1 ASP 441 H 0.03 0.49 -0.22 -0.55 8.40 8.16 2dgaA1 ASP 441 HA -0.06 0.02 0.38 -0.75 4.63 4.21 2dgaA1 ASP 441 HB2 -0.02 0.13 0.14 -0.04 2.71 2.92 2dgaA1 ASP 441 HB3 -0.04 -0.07 0.00 -0.04 2.70 2.56 2dgaA1 ALA 442 H 0.03 0.41 -0.26 -0.55 8.40 8.03 2dgaA1 ALA 442 HA 0.01 0.01 0.42 -0.75 4.34 4.02 2dgaA1 ALA 442 HB3 0.03 0.01 0.09 -0.04 1.41 1.51 2dgaA1 ILE 443 H 0.05 0.57 -0.09 -0.55 8.25 8.23 2dgaA1 ILE 443 HA 0.04 0.22 0.51 -0.75 4.18 4.21 2dgaA1 ILE 443 HB 0.01 0.09 0.20 -0.04 1.89 2.15 2dgaA1 ILE 443 HG12 0.13 0.02 0.14 -0.04 1.49 1.74 2dgaA1 ILE 443 HG13 0.14 0.05 0.09 -0.04 1.21 1.45 2dgaA1 ILE 443 HG23 0.04 -0.01 -0.03 -0.04 0.93 0.89 2dgaA1 ILE 443 HD13 0.27 -0.03 -0.04 -0.04 0.88 1.04 2dgaA1 ASP 444 H -0.04 0.61 -0.12 -0.55 8.40 8.30 2dgaA1 ASP 444 HA -0.05 0.02 0.43 -0.75 4.63 4.27 2dgaA1 ASP 444 HB2 -0.07 0.12 0.15 -0.04 2.71 2.87 2dgaA1 ASP 444 HB3 -0.07 -0.09 0.05 -0.04 2.70 2.54 2dgaA1 GLN 445 H -0.01 0.30 -0.54 -0.55 8.47 7.68 2dgaA1 GLN 445 HA -0.01 0.09 0.70 -0.75 4.36 4.38 2dgaA1 GLN 445 HB2 -0.00 0.05 0.14 -0.04 2.15 2.29 2dgaA1 GLN 445 HB3 -0.00 -0.09 0.17 -0.04 2.02 2.06 2dgaA1 GLN 445 HG2 -0.02 -0.06 -0.03 -0.04 2.40 2.25 2dgaA1 GLN 445 HG3 -0.03 0.21 0.01 -0.04 2.39 2.55 2dgaA1 GLN 445 HE21 -0.02 -0.11 -0.07 -0.04 6.97 6.73 2dgaA1 GLN 445 HE22 -0.03 0.03 -0.04 -0.04 7.69 7.61 2dgaA1 GLY 446 H 0.00 0.51 -0.46 -0.55 8.43 7.94 2dgaA1 GLY 446 HA2 0.01 0.02 0.28 -0.51 4.01 3.81 2dgaA1 GLY 446 HA3 0.01 0.08 0.65 -0.51 4.01 4.23 2dgaA1 ALA 447 H 0.02 0.49 -0.06 -0.55 8.40 8.30 2dgaA1 ALA 447 HA 0.04 0.04 0.45 -0.75 4.34 4.12 2dgaA1 ALA 447 HB3 0.04 -0.04 -0.18 -0.04 1.41 1.19 2dgaA1 ASP 448 H 0.04 0.19 0.06 -0.55 8.40 8.14 2dgaA1 ASP 448 HA 0.04 0.14 0.58 -0.75 4.63 4.64 2dgaA1 ASP 448 HB2 0.04 0.08 0.08 -0.04 2.71 2.86 2dgaA1 ASP 448 HB3 0.03 0.16 0.04 -0.04 2.70 2.89 2dgaA1 VAL 449 H 0.07 0.43 -0.06 -0.55 8.24 8.13 2dgaA1 VAL 449 HA -0.06 0.20 0.85 -0.75 4.13 4.36 2dgaA1 VAL 449 HB 0.20 0.03 0.07 -0.04 2.12 2.38 2dgaA1 VAL 449 HG13 0.08 -0.05 -0.06 -0.04 0.97 0.90 2dgaA1 VAL 449 HG23 0.07 0.00 -0.19 -0.04 0.95 0.78 2dgaA1 ARG 450 H -0.49 0.75 0.37 -0.55 8.46 8.54 2dgaA1 ARG 450 HA -0.20 0.18 0.78 -0.75 4.34 4.35 2dgaA1 ARG 450 HB2 -2.11 -0.04 -0.10 -0.04 1.90 -0.38 2dgaA1 ARG 450 HB3 -0.49 0.03 0.03 -0.04 1.80 1.33 2dgaA1 ARG 450 HG2 -0.33 0.04 -0.11 -0.04 1.67 1.23 2dgaA1 ARG 450 HG3 -0.32 -0.01 -0.09 -0.04 1.67 1.21 2dgaA1 ARG 450 HD2 -0.04 0.01 -0.08 -0.04 3.22 3.06 2dgaA1 ARG 450 HD3 -0.06 0.02 -0.26 -0.04 3.22 2.88 2dgaA1 GLY 451 H -0.60 0.19 0.19 -0.55 8.43 7.66 2dgaA1 GLY 451 HA2 -2.02 0.08 0.45 -0.51 4.01 2.01 2dgaA1 GLY 451 HA3 -0.51 0.11 0.42 -0.51 4.01 3.52 2dgaA1 HIS 452 H -0.34 0.65 0.27 -0.55 8.41 8.45 2dgaA1 HIS 452 HA -0.15 0.08 0.87 -0.75 4.63 4.69 2dgaA1 HIS 452 HB2 0.05 0.02 -0.12 -0.04 3.26 3.17 2dgaA1 HIS 452 HB3 -0.08 0.01 0.10 -0.04 3.20 3.19 2dgaA1 HIS 452 HD2 0.15 -0.00 -0.09 -0.04 6.97 6.98 2dgaA1 HIS 452 HE1 0.31 -0.03 -0.16 -0.04 7.75 7.83 2dgaA1 PHE 453 H -0.31 0.79 0.11 -0.55 8.34 8.38 2dgaA1 PHE 453 HA 0.01 0.18 0.65 -0.75 4.62 4.71 2dgaA1 PHE 453 HB2 -0.04 0.02 -0.16 -0.04 3.15 2.93 2dgaA1 PHE 453 HB3 -0.01 -0.07 -0.41 -0.04 3.06 2.54 2dgaA1 PHE 453 HD2 -0.07 0.04 -0.47 -0.04 7.28 6.74 2dgaA1 PHE 453 HE2 -0.23 0.06 -0.31 -0.04 7.38 6.86 2dgaA1 PHE 453 HZ -1.06 0.07 -0.26 -0.04 7.32 6.03 2dgaA1 THR 454 H 0.17 0.60 0.23 -0.55 8.28 8.73 2dgaA1 THR 454 HA 0.17 0.17 0.55 -0.75 4.39 4.53 2dgaA1 THR 454 HB 0.06 -0.04 0.14 -0.04 4.32 4.44 2dgaA1 THR 454 HG23 0.19 0.02 -0.14 -0.04 1.22 1.25 2dgaA1 TRP 455 H 0.30 0.30 0.23 -0.55 7.97 8.25 2dgaA1 TRP 455 HA 0.08 0.04 0.61 -0.75 4.62 4.60 2dgaA1 TRP 455 HB2 0.12 -0.05 0.03 -0.04 3.23 3.29 2dgaA1 TRP 455 HB3 0.22 -0.00 -0.06 -0.04 3.23 3.34 2dgaA1 TRP 455 HD1 -0.34 0.03 -0.30 -0.04 7.22 6.57 2dgaA1 TRP 455 HE1 -0.41 -0.05 -0.20 -0.04 10.20 9.50 2dgaA1 TRP 455 HE3 0.04 0.11 -0.15 -0.04 7.59 7.55 2dgaA1 TRP 455 HZ2 -0.24 -0.03 -0.13 -0.04 7.44 7.01 2dgaA1 TRP 455 HZ3 -0.05 0.11 -0.39 -0.04 7.13 6.76 2dgaA1 TRP 455 HH2 -0.25 -0.18 -0.20 -0.04 7.19 6.52 2dgaA1 GLY 456 H -0.99 0.31 0.22 -0.55 8.43 7.42 2dgaA1 GLY 456 HA2 -0.87 -0.02 0.26 -0.51 4.01 2.86 2dgaA1 GLY 456 HA3 -0.33 0.38 0.52 -0.51 4.01 4.07 2dgaA1 LEU 457 H -0.39 0.39 0.23 -0.55 8.37 8.05 2dgaA1 LEU 457 HA -0.14 0.13 0.54 -0.75 4.35 4.13 2dgaA1 LEU 457 HB2 -0.11 0.03 -0.04 -0.04 1.64 1.47 2dgaA1 LEU 457 HB3 -0.14 -0.08 0.03 -0.04 1.64 1.41 2dgaA1 LEU 457 HG -0.17 -0.03 -0.34 -0.04 1.64 1.07 2dgaA1 LEU 457 HD13 -0.18 0.01 -0.05 -0.04 0.93 0.66 2dgaA1 LEU 457 HD23 -0.45 0.03 -0.11 -0.04 0.89 0.32 2dgaA1 ILE 458 H -0.23 0.10 0.01 -0.55 8.25 7.58 2dgaA1 ILE 458 HA -0.08 0.28 0.89 -0.75 4.18 4.52 2dgaA1 ILE 458 HB -0.09 0.12 -0.02 -0.04 1.89 1.86 2dgaA1 ILE 458 HG12 -0.12 -0.11 -0.06 -0.04 1.49 1.16 2dgaA1 ILE 458 HG13 -0.12 -0.03 -0.13 -0.04 1.21 0.88 2dgaA1 ILE 458 HG23 -0.09 0.01 -0.22 -0.04 0.93 0.59 2dgaA1 ILE 458 HD13 -0.05 0.00 -0.07 -0.04 0.88 0.71 2dgaA1 ASP 459 H -0.05 0.43 0.22 -0.55 8.40 8.45 2dgaA1 ASP 459 HA 0.03 -0.20 0.54 -0.75 4.63 4.24 2dgaA1 ASP 459 HB2 -0.07 -0.01 0.17 -0.04 2.71 2.77 2dgaA1 ASP 459 HB3 0.04 0.09 0.14 -0.04 2.70 2.94 2dgaA1 ASN 460 H 0.08 0.16 0.29 -0.55 8.53 8.51 2dgaA1 ASN 460 HA 0.12 0.14 0.68 -0.75 4.76 4.95 2dgaA1 ASN 460 HB2 -0.05 0.14 0.12 -0.04 2.88 3.05 2dgaA1 ASN 460 HB3 -0.07 0.10 -0.30 -0.04 2.79 2.49 2dgaA1 ASN 460 HD21 -0.19 -0.04 -0.08 -0.04 7.03 6.68 2dgaA1 ASN 460 HD22 -0.24 0.47 -0.03 -0.04 7.74 7.91 2dgaA1 PHE 461 H -0.00 0.52 0.27 -0.55 8.34 8.57 2dgaA1 PHE 461 HA -0.90 0.08 0.35 -0.75 4.62 3.41 2dgaA1 PHE 461 HB2 -0.42 0.03 0.07 -0.04 3.15 2.79 2dgaA1 PHE 461 HB3 -0.57 -0.06 0.22 -0.04 3.06 2.61 2dgaA1 PHE 461 HD2 -0.95 -0.03 -0.14 -0.04 7.28 6.11 2dgaA1 PHE 461 HE2 0.06 -0.02 -0.26 -0.04 7.38 7.12 2dgaA1 PHE 461 HZ 0.26 0.15 -0.07 -0.04 7.32 7.62 2dgaA1 GLU 462 H -0.52 0.75 0.18 -0.55 8.60 8.46 2dgaA1 GLU 462 HA -0.45 0.06 0.53 -0.75 4.29 3.68 2dgaA1 GLU 462 HB2 0.10 0.13 0.07 -0.04 2.09 2.35 2dgaA1 GLU 462 HB3 -0.07 0.11 0.14 -0.04 1.99 2.13 2dgaA1 GLU 462 HG2 0.39 -0.01 -0.04 -0.04 2.34 2.65 2dgaA1 GLU 462 HG3 0.16 -0.12 0.03 -0.04 2.34 2.37 2dgaA1 TRP 463 H -1.36 0.44 -0.29 -0.55 7.97 6.21 2dgaA1 TRP 463 HA -0.58 0.03 0.26 -0.75 4.62 3.57 2dgaA1 TRP 463 HB2 -0.12 0.04 -0.06 -0.04 3.23 3.05 2dgaA1 TRP 463 HB3 -0.44 0.05 0.13 -0.04 3.23 2.92 2dgaA1 TRP 463 HD1 -0.06 0.03 -0.17 -0.04 7.22 6.98 2dgaA1 TRP 463 HE1 -0.57 0.02 -0.09 -0.04 10.20 9.52 2dgaA1 TRP 463 HE3 -2.64 0.01 0.00 -0.04 7.59 4.93 2dgaA1 TRP 463 HZ2 -0.73 -0.01 -0.05 -0.04 7.44 6.61 2dgaA1 TRP 463 HZ3 -1.68 -0.07 -0.04 -0.04 7.13 5.30 2dgaA1 TRP 463 HH2 -0.37 -0.04 -0.00 -0.04 7.19 6.74 2dgaA1 SER 464 H 0.40 0.14 0.19 -0.55 8.46 8.63 2dgaA1 SER 464 HA 0.33 0.12 0.50 -0.75 4.49 4.69 2dgaA1 SER 464 HB2 0.22 0.24 0.32 -0.04 3.95 4.70 2dgaA1 SER 464 HB3 0.44 0.10 0.21 -0.04 3.93 4.64 2dgaA1 LEU 465 H -0.02 0.58 -0.34 -0.55 8.37 8.05 2dgaA1 LEU 465 HA 0.05 0.14 0.90 -0.75 4.35 4.69 2dgaA1 LEU 465 HB2 0.07 0.16 0.07 -0.04 1.64 1.90 2dgaA1 LEU 465 HB3 0.08 -0.08 0.09 -0.04 1.64 1.68 2dgaA1 LEU 465 HG 0.16 -0.03 -0.11 -0.04 1.64 1.61 2dgaA1 LEU 465 HD13 0.28 -0.01 -0.03 -0.04 0.93 1.13 2dgaA1 LEU 465 HD23 0.14 0.03 -0.00 -0.04 0.89 1.02 2dgaA1 GLY 466 H -0.39 0.55 -0.32 -0.55 8.43 7.72 2dgaA1 GLY 466 HA2 -0.79 0.08 0.15 -0.51 4.01 2.94 2dgaA1 GLY 466 HA3 -0.09 -0.05 0.31 -0.51 4.01 3.67 2dgaA1 TYR 467 H 0.07 0.16 0.15 -0.55 8.29 8.12 2dgaA1 TYR 467 HA 0.01 0.28 0.70 -0.75 4.56 4.79 2dgaA1 TYR 467 HB2 0.04 0.03 0.06 -0.04 3.06 3.15 2dgaA1 TYR 467 HB3 0.02 0.04 0.10 -0.04 2.98 3.10 2dgaA1 TYR 467 HD2 0.07 0.07 -0.11 -0.04 7.15 7.13 2dgaA1 TYR 467 HE2 0.06 -0.02 -0.04 -0.04 6.85 6.82 2dgaA1 SER 468 H 0.04 0.24 -0.16 -0.55 8.46 8.04 2dgaA1 SER 468 HA 0.07 0.03 0.39 -0.75 4.49 4.23 2dgaA1 SER 468 HB2 0.05 -0.00 0.14 -0.04 3.95 4.10 2dgaA1 SER 468 HB3 0.06 -0.04 0.13 -0.04 3.93 4.04 2dgaA1 SER 469 H 0.03 0.19 -0.49 -0.55 8.46 7.64 2dgaA1 SER 469 HA -0.02 0.21 0.91 -0.75 4.49 4.83 2dgaA1 SER 469 HB2 0.15 0.00 0.05 -0.04 3.95 4.11 2dgaA1 SER 469 HB3 0.09 -0.03 -0.12 -0.04 3.93 3.82 2dgaA1 ARG 470 H -0.07 0.76 0.29 -0.55 8.46 8.88 2dgaA1 ARG 470 HA 0.09 0.05 0.94 -0.75 4.34 4.66 2dgaA1 ARG 470 HB2 -0.02 0.03 0.28 -0.04 1.90 2.15 2dgaA1 ARG 470 HB3 0.06 -0.06 0.10 -0.04 1.80 1.86 2dgaA1 ARG 470 HG2 0.08 0.03 -0.00 -0.04 1.67 1.74 2dgaA1 ARG 470 HG3 0.05 0.10 -0.02 -0.04 1.67 1.75 2dgaA1 ARG 470 HD2 0.24 -0.07 0.04 -0.04 3.22 3.40 2dgaA1 ARG 470 HD3 0.19 0.00 0.01 -0.04 3.22 3.38 2dgaA1 PHE 471 H 0.25 0.07 0.18 -0.55 8.34 8.29 2dgaA1 PHE 471 HA 0.03 0.42 0.89 -0.75 4.62 5.21 2dgaA1 PHE 471 HB2 0.18 -0.10 -0.03 -0.04 3.15 3.17 2dgaA1 PHE 471 HB3 0.15 0.15 -0.08 -0.04 3.06 3.25 2dgaA1 PHE 471 HD2 0.26 0.09 -0.25 -0.04 7.28 7.34 2dgaA1 PHE 471 HE2 0.07 0.02 -0.27 -0.04 7.38 7.16 2dgaA1 PHE 471 HZ 0.00 -0.04 -0.18 -0.04 7.32 7.06 2dgaA1 GLY 472 H 0.05 -0.12 -0.16 -0.55 8.43 7.66 2dgaA1 GLY 472 HA2 -0.07 0.20 0.05 -0.51 4.01 3.68 2dgaA1 GLY 472 HA3 -0.02 -0.07 -0.09 -0.51 4.01 3.32 2dgaA1 LEU 473 H -0.04 0.57 0.06 -0.55 8.37 8.42 2dgaA1 LEU 473 HA 0.07 -0.01 0.60 -0.75 4.35 4.25 2dgaA1 LEU 473 HB2 -0.02 0.15 0.18 -0.04 1.64 1.91 2dgaA1 LEU 473 HB3 0.07 -0.12 0.06 -0.04 1.64 1.61 2dgaA1 LEU 473 HG 0.04 0.16 0.00 -0.04 1.64 1.81 2dgaA1 LEU 473 HD13 -0.15 -0.00 0.00 -0.04 0.93 0.74 2dgaA1 LEU 473 HD23 0.29 -0.02 -0.07 -0.04 0.89 1.04 2dgaA1 VAL 474 H -0.02 0.23 0.03 -0.55 8.24 7.93 2dgaA1 VAL 474 HA 0.04 0.08 0.97 -0.75 4.13 4.47 2dgaA1 VAL 474 HB -0.05 0.02 0.15 -0.04 2.12 2.20 2dgaA1 VAL 474 HG13 -0.02 0.02 -0.26 -0.04 0.97 0.67 2dgaA1 VAL 474 HG23 -0.03 -0.01 -0.12 -0.04 0.95 0.75 2dgaA1 TYR 475 H 0.15 0.68 0.25 -0.55 8.29 8.82 2dgaA1 TYR 475 HA -0.02 -0.02 0.50 -0.75 4.56 4.26 2dgaA1 TYR 475 HB2 -0.02 0.04 -0.02 -0.04 3.06 3.02 2dgaA1 TYR 475 HB3 -0.02 0.06 0.07 -0.04 2.98 3.05 2dgaA1 TYR 475 HD2 -0.02 0.01 -0.13 -0.04 7.15 6.97 2dgaA1 TYR 475 HE2 -0.02 -0.02 -0.06 -0.04 6.85 6.71 2dgaA1 ILE 476 H -0.56 0.14 0.16 -0.55 8.25 7.45 2dgaA1 ILE 476 HA -0.23 0.41 0.76 -0.75 4.18 4.37 2dgaA1 ILE 476 HB -0.24 -0.10 0.12 -0.04 1.89 1.63 2dgaA1 ILE 476 HG12 -0.12 -0.19 -0.10 -0.04 1.49 1.04 2dgaA1 ILE 476 HG13 -0.10 0.16 0.00 -0.04 1.21 1.24 2dgaA1 ILE 476 HG23 -0.18 0.02 -0.24 -0.04 0.93 0.50 2dgaA1 ILE 476 HD13 -0.10 0.06 -0.11 -0.04 0.88 0.70 2dgaA1 ASP 477 H -0.23 0.80 -0.05 -0.55 8.40 8.38 2dgaA1 ASP 477 HA -0.36 0.10 0.65 -0.75 4.63 4.26 2dgaA1 ASP 477 HB2 0.07 0.12 -0.01 -0.04 2.71 2.85 2dgaA1 ASP 477 HB3 -0.03 -0.02 0.16 -0.04 2.70 2.76 2dgaA1 LYS 478 H -0.21 0.34 0.12 -0.55 8.42 8.12 2dgaA1 LYS 478 HA -0.14 0.07 0.30 -0.75 4.32 3.80 2dgaA1 LYS 478 HB2 -0.11 0.01 0.05 -0.04 1.87 1.78 2dgaA1 LYS 478 HB3 -0.16 0.02 0.06 -0.04 1.79 1.66 2dgaA1 LYS 478 HG2 -0.25 0.03 -0.07 -0.04 1.46 1.13 2dgaA1 LYS 478 HG3 -0.21 0.12 0.08 -0.04 1.46 1.40 2dgaA1 LYS 478 HD2 -0.21 0.03 -0.01 -0.04 1.69 1.46 2dgaA1 LYS 478 HD3 -0.19 -0.00 -0.00 -0.04 1.68 1.45 2dgaA1 LYS 478 HE2 -0.70 0.05 -0.07 -0.04 2.99 2.23 2dgaA1 LYS 478 HE3 -1.16 -0.07 -0.02 -0.04 2.99 1.69 2dgaA1 ASN 479 H -0.04 0.08 -0.29 -0.55 8.53 7.73 2dgaA1 ASN 479 HA -0.03 0.22 0.78 -0.75 4.76 4.97 2dgaA1 ASN 479 HB2 0.00 -0.02 0.03 -0.04 2.88 2.85 2dgaA1 ASN 479 HB3 -0.01 0.05 0.11 -0.04 2.79 2.90 2dgaA1 ASN 479 HD21 -0.01 0.01 -0.00 -0.04 7.03 6.99 2dgaA1 ASN 479 HD22 -0.01 0.02 0.06 -0.04 7.74 7.76 2dgaA1 ASP 480 H -0.04 0.33 -0.45 -0.55 8.40 7.69 2dgaA1 ASP 480 HA -0.02 0.24 0.84 -0.75 4.63 4.94 2dgaA1 ASP 480 HB2 0.01 -0.01 -0.10 -0.04 2.71 2.57 2dgaA1 ASP 480 HB3 -0.01 -0.04 0.14 -0.04 2.70 2.75 2dgaA1 GLY 481 H -0.04 0.20 -0.26 -0.55 8.43 7.79 2dgaA1 GLY 481 HA2 -0.05 0.03 0.24 -0.51 4.01 3.73 2dgaA1 GLY 481 HA3 -0.04 0.07 0.31 -0.51 4.01 3.84 2dgaA1 ASN 482 H -0.08 0.17 -0.25 -0.55 8.53 7.82 2dgaA1 ASN 482 HA -0.13 -0.09 -0.11 -0.75 4.76 3.67 2dgaA1 ASN 482 HB2 -0.06 0.20 -0.27 -0.04 2.88 2.71 2dgaA1 ASN 482 HB3 -0.08 0.04 0.13 -0.04 2.79 2.84 2dgaA1 ASN 482 HD21 -0.09 -0.00 -0.15 -0.04 7.03 6.74 2dgaA1 ASN 482 HD22 -0.05 0.01 -0.29 -0.04 7.74 7.37 2dgaA1 LYS 483 H -0.06 0.25 -0.33 -0.55 8.42 7.72 2dgaA1 LYS 483 HA -0.05 0.06 0.36 -0.75 4.32 3.94 2dgaA1 LYS 483 HB2 -0.03 0.20 0.11 -0.04 1.87 2.12 2dgaA1 LYS 483 HB3 -0.02 -0.16 0.06 -0.04 1.79 1.63 2dgaA1 LYS 483 HG2 -0.00 0.07 -0.32 -0.04 1.46 1.17 2dgaA1 LYS 483 HG3 -0.02 -0.01 0.05 -0.04 1.46 1.43 2dgaA1 LYS 483 HD2 0.01 -0.08 -0.05 -0.04 1.69 1.53 2dgaA1 LYS 483 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 2dgaA1 LYS 483 HE2 -0.02 0.00 0.00 -0.04 2.99 2.94 2dgaA1 LYS 483 HE3 -0.02 0.10 0.03 -0.04 2.99 3.06 2dgaA1 ARG 484 H -0.04 0.12 0.18 -0.55 8.46 8.17 2dgaA1 ARG 484 HA -0.05 0.29 0.76 -0.75 4.34 4.58 2dgaA1 ARG 484 HB2 -0.05 -0.04 0.16 -0.04 1.90 1.93 2dgaA1 ARG 484 HB3 -0.04 -0.01 -0.09 -0.04 1.80 1.63 2dgaA1 ARG 484 HG2 -0.07 0.03 -0.15 -0.04 1.67 1.44 2dgaA1 ARG 484 HG3 -0.07 -0.01 -0.09 -0.04 1.67 1.47 2dgaA1 ARG 484 HD2 -0.07 0.14 -0.15 -0.04 3.22 3.10 2dgaA1 ARG 484 HD3 -0.06 -0.05 0.02 -0.04 3.22 3.09 2dgaA1 LYS 485 H 0.05 0.62 0.21 -0.55 8.42 8.75 2dgaA1 LYS 485 HA 0.03 0.17 0.87 -0.75 4.32 4.64 2dgaA1 LYS 485 HB2 0.22 -0.11 0.00 -0.04 1.87 1.95 2dgaA1 LYS 485 HB3 0.07 0.06 -0.04 -0.04 1.79 1.84 2dgaA1 LYS 485 HG2 0.05 0.11 -0.19 -0.04 1.46 1.39 2dgaA1 LYS 485 HG3 0.09 -0.01 -0.57 -0.04 1.46 0.93 2dgaA1 LYS 485 HD2 0.24 -0.08 -0.14 -0.04 1.69 1.68 2dgaA1 LYS 485 HD3 0.07 0.02 -0.08 -0.04 1.68 1.64 2dgaA1 LYS 485 HE2 0.04 0.05 -0.09 -0.04 2.99 2.95 2dgaA1 LYS 485 HE3 0.08 -0.03 -0.12 -0.04 2.99 2.87 2dgaA1 LEU 486 H 0.02 0.18 0.10 -0.55 8.37 8.13 2dgaA1 LEU 486 HA 0.04 0.03 0.56 -0.75 4.35 4.21 2dgaA1 LEU 486 HB2 0.03 -0.01 0.09 -0.04 1.64 1.71 2dgaA1 LEU 486 HB3 0.04 0.05 0.01 -0.04 1.64 1.70 2dgaA1 LEU 486 HG 0.01 -0.04 0.04 -0.04 1.64 1.60 2dgaA1 LEU 486 HD13 0.01 0.03 -0.09 -0.04 0.93 0.85 2dgaA1 LEU 486 HD23 -0.00 -0.00 -0.06 -0.04 0.89 0.78 2dgaA1 LYS 487 H 0.06 0.41 0.45 -0.55 8.42 8.78 2dgaA1 LYS 487 HA 0.02 0.14 0.81 -0.75 4.32 4.54 2dgaA1 LYS 487 HB2 0.05 0.01 0.22 -0.04 1.87 2.12 2dgaA1 LYS 487 HB3 0.01 -0.09 0.31 -0.04 1.79 1.98 2dgaA1 LYS 487 HG2 0.02 -0.03 0.02 -0.04 1.46 1.42 2dgaA1 LYS 487 HG3 0.07 -0.06 -0.03 -0.04 1.46 1.39 2dgaA1 LYS 487 HD2 0.03 0.14 -0.09 -0.04 1.69 1.73 2dgaA1 LYS 487 HD3 -0.01 0.07 0.06 -0.04 1.68 1.76 2dgaA1 LYS 487 HE2 0.18 -0.08 -0.15 -0.04 2.99 2.90 2dgaA1 LYS 487 HE3 0.10 -0.15 -0.77 -0.04 2.99 2.14 2dgaA1 LYS 488 H 0.03 0.62 0.39 -0.55 8.42 8.91 2dgaA1 LYS 488 HA 0.07 0.11 0.41 -0.75 4.32 4.16 2dgaA1 LYS 488 HB2 0.06 0.07 0.21 -0.04 1.87 2.17 2dgaA1 LYS 488 HB3 0.06 -0.16 0.09 -0.04 1.79 1.74 2dgaA1 LYS 488 HG2 0.08 0.02 -0.22 -0.04 1.46 1.30 2dgaA1 LYS 488 HG3 0.08 0.05 0.03 -0.04 1.46 1.58 2dgaA1 LYS 488 HD2 0.12 -0.00 -0.03 -0.04 1.69 1.74 2dgaA1 LYS 488 HD3 0.15 -0.10 -0.18 -0.04 1.68 1.50 2dgaA1 LYS 488 HE2 0.10 -0.00 -0.01 -0.04 2.99 3.03 2dgaA1 LYS 488 HE3 0.06 0.03 -0.05 -0.04 2.99 2.99 2dgaA1 SER 489 H 0.07 0.07 -0.11 -0.55 8.46 7.94 2dgaA1 SER 489 HA 0.13 0.08 0.43 -0.75 4.49 4.36 2dgaA1 SER 489 HB2 0.19 0.08 0.01 -0.04 3.95 4.18 2dgaA1 SER 489 HB3 0.05 -0.02 0.09 -0.04 3.93 4.01 2dgaA1 ALA 490 H 0.14 0.13 -0.14 -0.55 8.40 7.98 2dgaA1 ALA 490 HA 0.28 0.07 0.42 -0.75 4.34 4.36 2dgaA1 ALA 490 HB3 0.08 0.07 0.10 -0.04 1.41 1.62 2dgaA1 LYS 491 H 0.13 0.42 -0.21 -0.55 8.42 8.20 2dgaA1 LYS 491 HA 0.07 0.10 0.44 -0.75 4.32 4.18 2dgaA1 LYS 491 HB2 0.10 0.07 0.12 -0.04 1.87 2.12 2dgaA1 LYS 491 HB3 0.07 -0.02 0.01 -0.04 1.79 1.81 2dgaA1 LYS 491 HG2 0.04 0.02 -0.01 -0.04 1.46 1.46 2dgaA1 LYS 491 HG3 0.06 0.06 -0.09 -0.04 1.46 1.44 2dgaA1 LYS 491 HD2 0.05 -0.06 -0.13 -0.04 1.69 1.51 2dgaA1 LYS 491 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.64 2dgaA1 LYS 491 HE2 0.02 -0.05 -0.05 -0.04 2.99 2.87 2dgaA1 LYS 491 HE3 0.02 0.01 -0.03 -0.04 2.99 2.95 2dgaA1 TRP 492 H 0.28 0.38 -0.22 -0.55 7.97 7.86 2dgaA1 TRP 492 HA -0.03 0.02 0.48 -0.75 4.62 4.33 2dgaA1 TRP 492 HB2 -0.07 -0.04 0.13 -0.04 3.23 3.20 2dgaA1 TRP 492 HB3 -0.16 0.15 0.20 -0.04 3.23 3.38 2dgaA1 TRP 492 HD1 -0.08 -0.03 0.03 -0.04 7.22 7.11 2dgaA1 TRP 492 HE1 -0.11 0.04 -0.01 -0.04 10.20 10.08 2dgaA1 TRP 492 HE3 -1.11 0.06 -0.09 -0.04 7.59 6.42 2dgaA1 TRP 492 HZ2 -0.30 0.27 -0.02 -0.04 7.44 7.34 2dgaA1 TRP 492 HZ3 -1.85 -0.01 -0.08 -0.04 7.13 5.15 2dgaA1 TRP 492 HH2 -1.29 -0.01 -0.10 -0.04 7.19 5.76 2dgaA1 PHE 493 H 0.30 0.40 -0.13 -0.55 8.34 8.36 2dgaA1 PHE 493 HA -0.48 -0.04 0.44 -0.75 4.62 3.78 2dgaA1 PHE 493 HB2 0.05 0.06 0.22 -0.04 3.15 3.44 2dgaA1 PHE 493 HB3 -0.02 0.19 0.02 -0.04 3.06 3.21 2dgaA1 PHE 493 HD2 0.03 0.05 -0.03 -0.04 7.28 7.29 2dgaA1 PHE 493 HE2 -0.02 -0.04 -0.04 -0.04 7.38 7.24 2dgaA1 PHE 493 HZ 0.19 -0.04 -0.04 -0.04 7.32 7.38 2dgaA1 SER 494 H 0.07 0.26 -0.26 -0.55 8.46 7.98 2dgaA1 SER 494 HA 0.01 0.18 0.37 -0.75 4.49 4.29 2dgaA1 SER 494 HB2 0.00 0.07 0.18 -0.04 3.95 4.17 2dgaA1 SER 494 HB3 -0.01 -0.00 0.05 -0.04 3.93 3.93 2dgaA1 LYS 495 H -0.15 0.32 -0.20 -0.55 8.42 7.84 2dgaA1 LYS 495 HA -0.11 0.06 0.49 -0.75 4.32 4.00 2dgaA1 LYS 495 HB2 -0.09 -0.02 0.14 -0.04 1.87 1.86 2dgaA1 LYS 495 HB3 -0.30 0.09 0.19 -0.04 1.79 1.73 2dgaA1 LYS 495 HG2 -0.14 0.01 -0.14 -0.04 1.46 1.14 2dgaA1 LYS 495 HG3 -0.08 -0.02 0.05 -0.04 1.46 1.38 2dgaA1 LYS 495 HD2 -0.01 -0.05 -0.00 -0.04 1.69 1.59 2dgaA1 LYS 495 HD3 -0.00 -0.03 0.02 -0.04 1.68 1.63 2dgaA1 LYS 495 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.92 2dgaA1 LYS 495 HE3 0.09 -0.07 -0.00 -0.04 2.99 2.97 2dgaA1 PHE 496 H -0.58 0.70 0.07 -0.55 8.34 7.98 2dgaA1 PHE 496 HA -0.58 -0.08 0.44 -0.75 4.62 3.65 2dgaA1 PHE 496 HB2 -2.29 -0.02 0.08 -0.04 3.15 0.88 2dgaA1 PHE 496 HB3 -0.96 0.11 0.19 -0.04 3.06 2.36 2dgaA1 PHE 496 HD2 -0.54 0.13 -0.09 -0.04 7.28 6.74 2dgaA1 PHE 496 HE2 -1.03 -0.04 -0.46 -0.04 7.38 5.81 2dgaA1 PHE 496 HZ -0.23 0.02 -0.24 -0.04 7.32 6.83 2dgaA1 ASN 497 H -0.11 0.73 -0.22 -0.55 8.53 8.39 2dgaA1 ASN 497 HA -0.21 0.01 0.60 -0.75 4.76 4.41 2dgaA1 ASN 497 HB2 0.01 0.24 0.13 -0.04 2.88 3.23 2dgaA1 ASN 497 HB3 0.00 -0.00 0.21 -0.04 2.79 2.95 2dgaA1 ASN 497 HD21 0.24 -0.26 -0.15 -0.04 7.03 6.81 2dgaA1 ASN 497 HD22 0.13 0.61 -0.04 -0.04 7.74 8.41 2dgaA1 SER 498 H -0.16 0.40 -0.62 -0.55 8.46 7.52 2dgaA1 SER 498 HA -0.09 -0.00 0.32 -0.75 4.49 3.96 2dgaA1 SER 498 HB2 -0.07 0.14 -0.11 -0.04 3.95 3.87 2dgaA1 SER 498 HB3 -0.06 -0.11 0.18 -0.04 3.93 3.90 2dgaA1 VAL 499 H -0.05 0.55 -0.10 -0.55 8.24 8.09 2dgaA1 VAL 499 HA -0.02 0.10 0.47 -0.75 4.13 3.93 2dgaA1 VAL 499 HB -0.02 -0.10 0.07 -0.04 2.12 2.02 2dgaA1 VAL 499 HG13 -0.01 0.04 -0.07 -0.04 0.97 0.89 2dgaA1 VAL 499 HG23 -0.01 0.02 -0.21 -0.04 0.95 0.70 2dgaA1 PRO 500 HA -0.02 -0.03 0.46 -0.51 4.44 4.34 2dgaA1 PRO 500 HB2 -0.01 0.01 0.00 -0.04 2.28 2.24 2dgaA1 PRO 500 HB3 -0.01 -0.01 0.13 -0.04 2.02 2.09 2dgaA1 PRO 500 HG2 -0.01 -0.01 0.07 -0.04 2.03 2.03 2dgaA1 PRO 500 HG3 -0.01 -0.01 0.09 -0.04 2.03 2.06 2dgaA1 PRO 500 HD2 -0.01 0.09 0.26 -0.04 3.68 3.98 2dgaA1 PRO 500 HD3 -0.02 0.21 0.27 -0.04 3.65 4.08 2dgaA1 LYS 501 H -0.01 0.04 0.17 -0.55 8.42 8.06 2dgaA1 LYS 501 HA -0.01 0.21 0.76 -0.75 4.32 4.52 2dgaA1 LYS 501 HB2 -0.01 0.08 -0.04 -0.04 1.87 1.85 2dgaA1 LYS 501 HB3 -0.01 -0.02 0.07 -0.04 1.79 1.79 2dgaA1 LYS 501 HG2 -0.01 0.10 0.07 -0.04 1.46 1.58 2dgaA1 LYS 501 HG3 -0.01 -0.05 0.10 -0.04 1.46 1.46 2dgaA1 LYS 501 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.61 2dgaA1 LYS 501 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 2dgaA1 LYS 501 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.92 2dgaA1 LYS 501 HE3 -0.01 -0.06 -0.00 -0.04 2.99 2.88 2dgaA1 PRO 502 HA -0.01 0.15 0.27 -0.51 4.44 4.34 2dgaA1 PRO 502 HB2 -0.01 -0.01 0.06 -0.04 2.28 2.28 2dgaA1 PRO 502 HB3 -0.01 0.06 0.05 -0.04 2.02 2.08 2dgaA1 PRO 502 HG2 -0.01 -0.01 0.05 -0.04 2.03 2.03 2dgaA1 PRO 502 HG3 -0.01 0.03 0.06 -0.04 2.03 2.06 2dgaA1 PRO 502 HD2 -0.01 0.08 0.18 -0.04 3.68 3.88 2dgaA1 PRO 502 HD3 -0.01 0.22 0.15 -0.04 3.65 3.97