============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 11 0.900 -6.755 23.548 141.975 -99.200 -91.000 HIS 12 0.900 -2.082 22.148 142.780 -99.200 -91.000 TYR 15 0.840 -2.154 28.898 144.188 -99.200 -91.000 PHE 18 1.000 -4.185 35.175 141.030 -99.200 -91.000 HIS 19 0.900 -0.171 33.259 143.697 -99.200 -91.000 TYR 36 0.840 1.063 35.112 128.020 -99.200 -91.000 PHE 38 1.000 -4.418 26.105 132.153 -99.200 -91.000 PHE 57 1.000 -9.268 23.140 135.004 -99.200 -91.000 PHE 67 1.000 -7.053 30.236 141.365 -99.200 -91.000 TYR 91 0.840 -12.529 11.201 144.422 -99.200 -91.000 TYR 109 0.840 -4.735 5.084 126.162 -99.200 -91.000 TYR 121 0.840 8.969 15.892 139.650 -99.200 -91.000 HIS 129 0.900 8.384 9.113 130.590 -99.200 -91.000 HIS 132 0.900 9.077 22.340 135.961 -99.200 -91.000 TYR 136 0.840 13.297 21.304 133.613 -99.200 -91.000 TRP 142 1.040 14.897 15.056 136.336 -99.200 -91.000 TRP6 142 1.020 15.837 16.790 135.034 -99.200 -91.000 TRP 144 1.040 19.122 5.402 140.454 -99.200 -91.000 TRP6 144 1.020 18.904 3.211 139.561 -99.200 -91.000 TYR 147 0.840 15.649 15.364 141.753 -99.200 -91.000 TRP 154 1.040 11.191 12.118 144.276 -99.200 -91.000 TRP6 154 1.020 9.472 13.718 144.176 -99.200 -91.000 TYR 157 0.840 14.220 13.105 147.581 -99.200 -91.000 TRP 186 1.040 17.676 11.036 155.580 -99.200 -91.000 TRP6 186 1.020 17.266 12.209 157.599 -99.200 -91.000 HIS 210 0.900 9.339 18.936 164.466 -99.200 -91.000 TRP 218 1.040 -1.455 12.781 155.992 -99.200 -91.000 TRP6 218 1.020 -2.411 11.849 157.949 -99.200 -91.000 PHE 233 1.000 -7.666 7.507 129.772 -99.200 -91.000 PHE 247 1.000 -10.833 32.907 126.267 -99.200 -91.000 PHE 253 1.000 -2.145 37.849 126.224 -99.200 -91.000 HIS 258 0.900 1.101 31.742 113.793 -99.200 -91.000 PHE 260 1.000 -4.163 29.067 121.650 -99.200 -91.000 TRP 274 1.040 18.483 28.061 107.701 -99.200 -91.000 TRP6 274 1.020 16.467 28.034 106.454 -99.200 -91.000 PHE 281 1.000 9.515 25.689 94.763 -99.200 -91.000 PHE 284 1.000 6.692 35.072 103.360 -99.200 -91.000 TRP 293 1.040 3.654 49.661 107.506 -99.200 -91.000 TRP6 293 1.020 3.655 51.447 109.049 -99.200 -91.000 HIS 308 0.900 15.765 21.388 104.270 -99.200 -91.000 TYR 314 0.840 13.568 39.649 111.337 -99.200 -91.000 TYR 353 0.840 -3.195 37.684 87.086 -99.200 -91.000 TYR 369 0.840 -5.073 25.190 90.020 -99.200 -91.000 TRP 373 1.040 -2.343 31.257 102.718 -99.200 -91.000 TRP6 373 1.020 -0.088 31.322 101.981 -99.200 -91.000 PHE 388 1.000 7.689 26.592 89.623 -99.200 -91.000 TRP 392 1.040 7.996 24.770 84.744 -99.200 -91.000 TRP6 392 1.020 8.272 27.045 84.181 -99.200 -91.000 TRP 403 1.040 8.258 36.440 75.286 -99.200 -91.000 TRP6 403 1.020 7.160 38.499 75.693 -99.200 -91.000 TYR 405 0.840 6.909 32.399 85.792 -99.200 -91.000 HIS 418 0.900 14.884 46.641 94.303 -99.200 -91.000 TYR 430 0.840 -1.329 69.767 100.161 -99.200 -91.000 PHE 450 1.000 -27.649 68.657 109.479 -99.200 -91.000 HIS 455 0.900 -36.549 67.056 110.106 -99.200 -91.000 PHE 457 1.000 -31.222 64.592 108.195 -99.200 -91.000 PHE 470 1.000 -42.679 61.708 108.340 -99.200 -91.000 HIS 501 0.900 -37.163 67.115 95.020 -99.200 -91.000 TYR 510 0.840 -21.980 64.579 105.432 -99.200 -91.000 TYR 520 0.840 -8.205 57.655 97.856 -99.200 -91.000 HIS 529 0.900 8.272 51.168 108.132 -99.200 -91.000 HIS 536 0.900 7.708 52.087 102.693 -99.200 -91.000 PHE 539 1.000 2.983 49.611 93.585 -99.200 -91.000 PHE 573 1.000 0.589 60.225 97.228 -99.200 -91.000 TRP 579 1.040 16.897 62.236 95.880 -99.200 -91.000 TRP6 579 1.020 17.120 60.093 94.917 -99.200 -91.000 TYR 586 0.840 3.499 53.801 77.789 -99.200 -91.000 HIS 596 0.900 0.007 46.143 66.740 -99.200 -91.000 PHE 607 1.000 -3.593 57.097 67.784 -99.200 -91.000 HIS 614 0.900 -10.058 62.398 71.398 -99.200 -91.000 TRP 620 1.040 -11.271 61.978 58.387 -99.200 -91.000 TRP6 620 1.020 -9.564 60.535 59.163 -99.200 -91.000 PHE 622 1.000 -20.113 65.255 64.072 -99.200 -91.000 PHE 642 1.000 -14.950 56.998 78.113 -99.200 -91.000 TYR 646 0.840 -17.240 51.750 77.757 -99.200 -91.000 HIS 651 0.900 -30.305 54.374 76.864 -99.200 -91.000 TYR 661 0.840 -31.474 54.146 70.220 -99.200 -91.000 PHE 667 1.000 -23.708 62.490 66.390 -99.200 -91.000 TYR 671 0.840 -15.159 55.485 65.949 -99.200 -91.000 PHE 672 1.000 -17.734 50.857 64.759 -99.200 -91.000 PHE 675 1.000 -11.484 55.984 62.787 -99.200 -91.000 TRP 681 1.040 -9.906 44.056 67.384 -99.200 -91.000 TRP6 681 1.020 -10.754 44.873 69.435 -99.200 -91.000 TYR 694 0.840 -8.501 31.320 74.576 -99.200 -91.000 PHE 699 1.000 3.651 42.064 74.197 -99.200 -91.000 TYR 704 0.840 -9.541 30.236 79.961 -99.200 -91.000 PHE 724 1.000 -15.885 44.995 73.072 -99.200 -91.000 PHE 744 1.000 15.003 47.527 89.337 -99.200 -91.000 HIS 759 0.900 -5.618 55.781 86.792 -99.200 -91.000 TYR 786 0.840 6.161 43.890 70.986 -99.200 -91.000 TRP 802 1.040 1.797 62.025 90.771 -99.200 -91.000 TRP6 802 1.020 0.491 60.288 91.710 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1taqA1 PRO 10 HA -0.10 0.11 0.33 -0.51 4.44 4.27 1taqA1 PRO 10 HB2 -0.04 -0.04 0.11 -0.04 2.28 2.27 1taqA1 PRO 10 HB3 -0.05 0.02 0.05 -0.04 2.02 2.01 1taqA1 PRO 10 HG2 -0.03 -0.04 0.04 -0.04 2.03 1.96 1taqA1 PRO 10 HG3 -0.04 -0.01 0.03 -0.04 2.03 1.97 1taqA1 PRO 10 HD2 -0.03 -0.02 0.06 -0.04 3.68 3.64 1taqA1 PRO 10 HD3 -0.03 -0.04 0.04 -0.04 3.65 3.58 1taqA1 LYS 11 H -0.23 0.72 0.35 -0.55 8.42 8.70 1taqA1 LYS 11 HA -0.13 -0.01 0.44 -0.75 4.32 3.87 1taqA1 LYS 11 HB2 -0.33 0.01 0.21 -0.04 1.87 1.71 1taqA1 LYS 11 HB3 -0.89 0.05 -0.07 -0.04 1.79 0.84 1taqA1 LYS 11 HG2 -0.27 0.00 0.05 -0.04 1.46 1.21 1taqA1 LYS 11 HG3 -0.18 -0.04 0.06 -0.04 1.46 1.26 1taqA1 LYS 11 HD2 -0.10 0.03 0.14 -0.04 1.69 1.72 1taqA1 LYS 11 HD3 -0.10 -0.03 0.07 -0.04 1.68 1.58 1taqA1 LYS 11 HE2 -0.02 -0.04 0.05 -0.04 2.99 2.95 1taqA1 LYS 11 HE3 -0.01 0.01 0.11 -0.04 2.99 3.05 1taqA1 GLY 12 H -0.08 0.16 -0.36 -0.55 8.43 7.62 1taqA1 GLY 12 HA2 0.04 0.06 0.28 -0.51 4.01 3.88 1taqA1 GLY 12 HA3 0.18 0.11 0.59 -0.51 4.01 4.37 1taqA1 ARG 13 H 0.07 0.13 0.28 -0.55 8.46 8.39 1taqA1 ARG 13 HA 0.01 0.42 1.01 -0.75 4.34 5.03 1taqA1 ARG 13 HB2 0.01 -0.00 0.01 -0.04 1.90 1.87 1taqA1 ARG 13 HB3 0.00 -0.21 0.21 -0.04 1.80 1.76 1taqA1 ARG 13 HG2 -0.02 0.08 -0.01 -0.04 1.67 1.67 1taqA1 ARG 13 HG3 -0.03 0.05 0.03 -0.04 1.67 1.68 1taqA1 ARG 13 HD2 -0.01 0.03 -0.04 -0.04 3.22 3.15 1taqA1 ARG 13 HD3 -0.01 -0.06 -0.03 -0.04 3.22 3.08 1taqA1 VAL 14 H -0.07 0.59 0.37 -0.55 8.24 8.58 1taqA1 VAL 14 HA -0.08 0.31 1.03 -0.75 4.13 4.65 1taqA1 VAL 14 HB -0.24 -0.06 0.04 -0.04 2.12 1.82 1taqA1 VAL 14 HG13 -0.07 -0.01 -0.26 -0.04 0.97 0.59 1taqA1 VAL 14 HG23 -0.62 0.01 -0.26 -0.04 0.95 0.03 1taqA1 LEU 15 H -0.03 0.62 0.22 -0.55 8.37 8.63 1taqA1 LEU 15 HA -0.04 0.40 0.99 -0.75 4.35 4.95 1taqA1 LEU 15 HB2 -0.03 0.13 -0.15 -0.04 1.64 1.55 1taqA1 LEU 15 HB3 -0.02 -0.04 0.07 -0.04 1.64 1.62 1taqA1 LEU 15 HG -0.03 -0.14 -0.28 -0.04 1.64 1.15 1taqA1 LEU 15 HD13 -0.04 0.06 -0.11 -0.04 0.93 0.80 1taqA1 LEU 15 HD23 -0.03 0.02 -0.25 -0.04 0.89 0.59 1taqA1 LEU 16 H -0.04 0.46 0.13 -0.55 8.37 8.38 1taqA1 LEU 16 HA -0.01 0.18 0.82 -0.75 4.35 4.58 1taqA1 LEU 16 HB2 -0.02 -0.07 0.07 -0.04 1.64 1.58 1taqA1 LEU 16 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 1taqA1 LEU 16 HG -0.04 0.05 -0.24 -0.04 1.64 1.37 1taqA1 LEU 16 HD13 -0.02 0.02 -0.20 -0.04 0.93 0.69 1taqA1 LEU 16 HD23 0.05 0.00 -0.20 -0.04 0.89 0.70 1taqA1 VAL 17 H -0.04 0.79 0.43 -0.55 8.24 8.88 1taqA1 VAL 17 HA -0.06 0.22 0.98 -0.75 4.13 4.52 1taqA1 VAL 17 HB -0.04 -0.10 0.12 -0.04 2.12 2.06 1taqA1 VAL 17 HG13 -0.15 -0.01 -0.14 -0.04 0.97 0.63 1taqA1 VAL 17 HG23 -0.05 0.06 -0.17 -0.04 0.95 0.75 1taqA1 ASP 18 H -0.05 0.63 0.21 -0.55 8.40 8.64 1taqA1 ASP 18 HA -0.03 0.13 0.76 -0.75 4.63 4.73 1taqA1 ASP 18 HB2 0.03 0.14 0.08 -0.04 2.71 2.92 1taqA1 ASP 18 HB3 0.03 0.04 0.30 -0.04 2.70 3.04 1taqA1 GLY 19 H -0.26 0.42 -0.08 -0.55 8.43 7.96 1taqA1 GLY 19 HA2 0.46 0.05 0.23 -0.51 4.01 4.24 1taqA1 GLY 19 HA3 -0.85 0.11 0.23 -0.51 4.01 2.99 1taqA1 HIS 20 H -0.03 0.40 -0.10 -0.55 8.41 8.13 1taqA1 HIS 20 HA 0.24 0.09 0.34 -0.75 4.63 4.55 1taqA1 HIS 20 HB2 0.01 -0.05 0.11 -0.04 3.26 3.30 1taqA1 HIS 20 HB3 -0.19 -0.06 0.06 -0.04 3.20 2.97 1taqA1 HIS 20 HD2 -0.33 -0.06 -0.03 -0.04 6.97 6.50 1taqA1 HIS 20 HE1 0.04 0.08 -0.01 -0.04 7.75 7.81 1taqA1 HIS 21 H 0.06 0.15 -0.04 -0.55 8.41 8.03 1taqA1 HIS 21 HA 0.01 0.14 0.65 -0.75 4.63 4.68 1taqA1 HIS 21 HB2 0.02 0.02 0.15 -0.04 3.26 3.42 1taqA1 HIS 21 HB3 0.03 -0.01 0.16 -0.04 3.20 3.34 1taqA1 HIS 21 HD2 0.04 -0.00 0.01 -0.04 6.97 6.98 1taqA1 HIS 21 HE1 -0.18 0.07 -0.02 -0.04 7.75 7.57 1taqA1 LEU 22 H 0.18 0.60 -0.21 -0.55 8.37 8.39 1taqA1 LEU 22 HA 0.10 0.03 0.47 -0.75 4.35 4.19 1taqA1 LEU 22 HB2 0.17 0.06 0.03 -0.04 1.64 1.86 1taqA1 LEU 22 HB3 -0.12 0.02 -0.02 -0.04 1.64 1.47 1taqA1 LEU 22 HG -0.01 0.25 -0.14 -0.04 1.64 1.69 1taqA1 LEU 22 HD13 -0.34 0.03 -0.13 -0.04 0.93 0.45 1taqA1 LEU 22 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.76 1taqA1 ALA 23 H 0.40 0.62 -0.07 -0.55 8.40 8.80 1taqA1 ALA 23 HA 0.37 0.05 0.27 -0.75 4.34 4.27 1taqA1 ALA 23 HB3 0.20 0.01 0.07 -0.04 1.41 1.65 1taqA1 TYR 24 H 0.38 0.22 -0.43 -0.55 8.29 7.91 1taqA1 TYR 24 HA 0.46 0.06 0.54 -0.75 4.56 4.86 1taqA1 TYR 24 HB2 -0.03 0.08 0.12 -0.04 3.06 3.18 1taqA1 TYR 24 HB3 0.12 0.02 0.12 -0.04 2.98 3.20 1taqA1 TYR 24 HD2 -0.28 -0.00 -0.06 -0.04 7.15 6.76 1taqA1 TYR 24 HE2 -0.14 0.00 -0.01 -0.04 6.85 6.66 1taqA1 ARG 25 H 0.30 0.46 -0.11 -0.55 8.46 8.56 1taqA1 ARG 25 HA 0.20 0.02 0.40 -0.75 4.34 4.22 1taqA1 ARG 25 HB2 0.16 -0.06 0.15 -0.04 1.90 2.11 1taqA1 ARG 25 HB3 0.15 0.14 0.28 -0.04 1.80 2.33 1taqA1 ARG 25 HG2 0.10 0.04 -0.43 -0.04 1.67 1.34 1taqA1 ARG 25 HG3 0.10 -0.03 -0.05 -0.04 1.67 1.64 1taqA1 ARG 25 HD2 0.03 -0.09 0.01 -0.04 3.22 3.12 1taqA1 ARG 25 HD3 0.04 0.05 -0.01 -0.04 3.22 3.27 1taqA1 THR 26 H 0.17 0.59 -0.12 -0.55 8.28 8.36 1taqA1 THR 26 HA 0.08 0.03 0.29 -0.75 4.39 4.04 1taqA1 THR 26 HB 0.08 -0.00 0.10 -0.04 4.32 4.46 1taqA1 THR 26 HG23 0.06 0.04 -0.19 -0.04 1.22 1.10 1taqA1 PHE 27 H 0.17 0.30 -0.69 -0.55 8.34 7.56 1taqA1 PHE 27 HA -0.06 -0.07 0.49 -0.75 4.62 4.23 1taqA1 PHE 27 HB2 0.04 0.10 0.15 -0.04 3.15 3.39 1taqA1 PHE 27 HB3 -0.36 0.20 0.13 -0.04 3.06 2.98 1taqA1 PHE 27 HD2 -0.62 0.03 -0.11 -0.04 7.28 6.53 1taqA1 PHE 27 HE2 -0.03 -0.00 -0.11 -0.04 7.38 7.20 1taqA1 PHE 27 HZ 0.03 -0.09 -0.01 -0.04 7.32 7.21 1taqA1 HIS 28 H 0.03 0.42 -0.26 -0.55 8.41 8.04 1taqA1 HIS 28 HA -0.04 0.10 0.73 -0.75 4.63 4.66 1taqA1 HIS 28 HB2 -0.01 0.10 0.17 -0.04 3.26 3.48 1taqA1 HIS 28 HB3 0.01 -0.06 0.20 -0.04 3.20 3.31 1taqA1 HIS 28 HD2 -0.56 0.12 -0.01 -0.04 6.97 6.48 1taqA1 HIS 28 HE1 0.07 -0.04 0.00 -0.04 7.75 7.74 1taqA1 ALA 29 H -0.02 0.44 -0.64 -0.55 8.40 7.64 1taqA1 ALA 29 HA 0.05 0.06 0.64 -0.75 4.34 4.33 1taqA1 ALA 29 HB3 0.06 0.03 -0.03 -0.04 1.41 1.42 1taqA1 LEU 30 H 0.04 0.16 0.13 -0.55 8.37 8.15 1taqA1 LEU 30 HA 0.03 0.02 0.35 -0.75 4.35 4.00 1taqA1 LEU 30 HB2 0.07 0.23 0.01 -0.04 1.64 1.91 1taqA1 LEU 30 HB3 0.07 -0.09 0.26 -0.04 1.64 1.83 1taqA1 LEU 30 HG 0.10 -0.05 -0.06 -0.04 1.64 1.60 1taqA1 LEU 30 HD13 0.30 0.05 -0.02 -0.04 0.93 1.22 1taqA1 LEU 30 HD23 0.14 0.01 0.04 -0.04 0.89 1.03 1taqA1 LYS 31 H -0.01 0.03 -0.50 -0.55 8.42 7.39 1taqA1 LYS 31 HA -0.10 0.14 0.16 -0.75 4.32 3.77 1taqA1 LYS 31 HB2 -0.01 -0.04 -0.04 -0.04 1.87 1.74 1taqA1 LYS 31 HB3 -0.04 0.03 0.03 -0.04 1.79 1.77 1taqA1 LYS 31 HG2 -0.06 0.12 -0.14 -0.04 1.46 1.34 1taqA1 LYS 31 HG3 0.00 -0.11 -0.21 -0.04 1.46 1.10 1taqA1 LYS 31 HD2 0.02 -0.02 -0.05 -0.04 1.69 1.59 1taqA1 LYS 31 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.63 1taqA1 LYS 31 HE2 0.08 -0.06 -0.12 -0.04 2.99 2.85 1taqA1 LYS 31 HE3 0.05 0.07 -0.12 -0.04 2.99 2.96 1taqA1 GLY 32 H -0.01 -0.08 -0.67 -0.55 8.43 7.12 1taqA1 GLY 32 HA2 -0.02 0.06 0.44 -0.51 4.01 3.98 1taqA1 GLY 32 HA3 -0.01 -0.04 0.29 -0.51 4.01 3.73 1taqA1 LEU 33 H -0.01 0.23 0.12 -0.55 8.37 8.17 1taqA1 LEU 33 HA -0.01 -0.01 0.30 -0.75 4.35 3.88 1taqA1 LEU 33 HB2 0.03 -0.02 0.08 -0.04 1.64 1.69 1taqA1 LEU 33 HB3 0.07 -0.00 -0.16 -0.04 1.64 1.51 1taqA1 LEU 33 HG 0.01 -0.02 0.15 -0.04 1.64 1.74 1taqA1 LEU 33 HD13 -0.07 0.00 -0.02 -0.04 0.93 0.80 1taqA1 LEU 33 HD23 -0.04 0.00 0.02 -0.04 0.89 0.83 1taqA1 THR 34 H -0.01 0.37 0.25 -0.55 8.28 8.34 1taqA1 THR 34 HA 0.01 -0.10 0.79 -0.75 4.39 4.35 1taqA1 THR 34 HB -0.01 0.81 0.03 -0.04 4.32 5.10 1taqA1 THR 34 HG23 -0.02 -0.05 -0.13 -0.04 1.22 0.99 1taqA1 THR 35 H -0.00 0.76 0.19 -0.55 8.28 8.68 1taqA1 THR 35 HA -0.05 0.08 0.60 -0.75 4.39 4.26 1taqA1 THR 35 HB -0.04 0.02 -0.10 -0.04 4.32 4.15 1taqA1 THR 35 HG23 0.00 0.10 0.03 -0.04 1.22 1.32 1taqA1 SER 36 H -0.06 0.16 0.09 -0.55 8.46 8.11 1taqA1 SER 36 HA -0.03 -0.02 0.39 -0.75 4.49 4.08 1taqA1 SER 36 HB2 -0.03 0.00 0.10 -0.04 3.95 3.98 1taqA1 SER 36 HB3 -0.05 0.03 0.14 -0.04 3.93 4.01 1taqA1 ARG 37 H -0.02 -0.34 0.49 -0.55 8.46 8.04 1taqA1 ARG 37 HA -0.02 -0.01 0.30 -0.75 4.34 3.86 1taqA1 ARG 37 HB2 -0.02 0.01 -0.47 -0.04 1.90 1.38 1taqA1 ARG 37 HB3 -0.02 -0.08 0.11 -0.04 1.80 1.77 1taqA1 ARG 37 HG2 -0.02 -0.09 0.13 -0.04 1.67 1.65 1taqA1 ARG 37 HG3 -0.02 0.31 0.34 -0.04 1.67 2.26 1taqA1 ARG 37 HD2 -0.02 -0.07 0.02 -0.04 3.22 3.11 1taqA1 ARG 37 HD3 -0.02 -0.03 0.03 -0.04 3.22 3.16 1taqA1 GLY 38 H -0.02 -0.10 0.24 -0.55 8.43 8.01 1taqA1 GLY 38 HA2 -0.01 -0.01 0.34 -0.51 4.01 3.83 1taqA1 GLY 38 HA3 -0.01 0.12 0.83 -0.51 4.01 4.44 1taqA1 GLU 39 H -0.01 0.19 0.08 -0.55 8.60 8.32 1taqA1 GLU 39 HA -0.00 0.02 0.42 -0.75 4.29 3.98 1taqA1 GLU 39 HB2 -0.01 0.02 0.10 -0.04 2.09 2.16 1taqA1 GLU 39 HB3 -0.02 -0.03 0.04 -0.04 1.99 1.94 1taqA1 GLU 39 HG2 -0.01 0.03 -0.12 -0.04 2.34 2.20 1taqA1 GLU 39 HG3 -0.01 -0.00 0.03 -0.04 2.34 2.31 1taqA1 PRO 40 HA -0.01 0.18 0.79 -0.51 4.44 4.89 1taqA1 PRO 40 HB2 0.00 -0.08 0.08 -0.04 2.28 2.24 1taqA1 PRO 40 HB3 -0.05 0.09 0.16 -0.04 2.02 2.17 1taqA1 PRO 40 HG2 0.01 -0.02 0.07 -0.04 2.03 2.05 1taqA1 PRO 40 HG3 -0.01 0.13 0.04 -0.04 2.03 2.15 1taqA1 PRO 40 HD2 0.01 0.05 0.20 -0.04 3.68 3.90 1taqA1 PRO 40 HD3 0.00 0.06 -0.01 -0.04 3.65 3.66 1taqA1 VAL 41 H 0.00 0.69 0.37 -0.55 8.24 8.75 1taqA1 VAL 41 HA 0.03 0.06 0.78 -0.75 4.13 4.25 1taqA1 VAL 41 HB 0.07 0.14 -0.32 -0.04 2.12 1.97 1taqA1 VAL 41 HG13 0.21 0.02 -0.37 -0.04 0.97 0.79 1taqA1 VAL 41 HG23 0.12 -0.02 0.07 -0.04 0.95 1.08 1taqA1 GLN 42 H -0.03 0.25 0.17 -0.55 8.47 8.31 1taqA1 GLN 42 HA 0.08 0.01 0.39 -0.75 4.36 4.09 1taqA1 GLN 42 HB2 -0.01 0.15 0.06 -0.04 2.15 2.31 1taqA1 GLN 42 HB3 -0.05 0.13 0.05 -0.04 2.02 2.10 1taqA1 GLN 42 HG2 -0.20 0.01 -0.02 -0.04 2.40 2.16 1taqA1 GLN 42 HG3 -0.25 0.10 -0.05 -0.04 2.39 2.16 1taqA1 GLN 42 HE21 -0.13 -0.09 0.13 -0.04 6.97 6.84 1taqA1 GLN 42 HE22 -0.10 0.23 0.09 -0.04 7.69 7.87 1taqA1 ALA 43 H -0.01 0.05 -0.18 -0.55 8.40 7.72 1taqA1 ALA 43 HA 0.10 0.14 0.05 -0.75 4.34 3.88 1taqA1 ALA 43 HB3 0.16 0.01 -0.03 -0.04 1.41 1.50 1taqA1 VAL 44 H 0.04 0.08 -0.22 -0.55 8.24 7.60 1taqA1 VAL 44 HA 0.05 0.05 0.28 -0.75 4.13 3.76 1taqA1 VAL 44 HB 0.03 0.08 0.06 -0.04 2.12 2.24 1taqA1 VAL 44 HG13 0.11 0.00 -0.14 -0.04 0.97 0.91 1taqA1 VAL 44 HG23 0.00 0.02 0.03 -0.04 0.95 0.96 1taqA1 TYR 45 H 0.07 0.57 -0.16 -0.55 8.29 8.21 1taqA1 TYR 45 HA -0.30 -0.00 0.25 -0.75 4.56 3.75 1taqA1 TYR 45 HB2 -0.42 0.05 0.06 -0.04 3.06 2.71 1taqA1 TYR 45 HB3 -0.10 0.05 0.11 -0.04 2.98 2.99 1taqA1 TYR 45 HD2 -0.63 0.00 -0.06 -0.04 7.15 6.42 1taqA1 TYR 45 HE2 0.02 0.00 -0.05 -0.04 6.85 6.79 1taqA1 GLY 46 H 0.08 0.66 -0.11 -0.55 8.43 8.52 1taqA1 GLY 46 HA2 -0.18 -0.03 0.37 -0.51 4.01 3.66 1taqA1 GLY 46 HA3 0.01 0.09 0.31 -0.51 4.01 3.91 1taqA1 PHE 47 H 0.16 0.60 -0.34 -0.55 8.34 8.22 1taqA1 PHE 47 HA -0.01 -0.06 0.27 -0.75 4.62 4.06 1taqA1 PHE 47 HB2 0.04 0.03 0.01 -0.04 3.15 3.19 1taqA1 PHE 47 HB3 0.02 0.13 0.09 -0.04 3.06 3.27 1taqA1 PHE 47 HD2 0.07 0.02 -0.31 -0.04 7.28 7.02 1taqA1 PHE 47 HE2 0.06 -0.00 -0.02 -0.04 7.38 7.38 1taqA1 PHE 47 HZ 0.01 -0.07 -0.09 -0.04 7.32 7.13 1taqA1 ALA 48 H 0.10 0.70 -0.05 -0.55 8.40 8.60 1taqA1 ALA 48 HA 0.20 -0.01 0.39 -0.75 4.34 4.17 1taqA1 ALA 48 HB3 0.12 0.01 0.05 -0.04 1.41 1.55 1taqA1 LYS 49 H -0.38 0.75 -0.03 -0.55 8.42 8.20 1taqA1 LYS 49 HA -0.25 -0.00 0.30 -0.75 4.32 3.61 1taqA1 LYS 49 HB2 -0.90 0.00 0.06 -0.04 1.87 0.99 1taqA1 LYS 49 HB3 -0.38 0.06 0.10 -0.04 1.79 1.53 1taqA1 LYS 49 HG2 -0.16 -0.00 -0.13 -0.04 1.46 1.13 1taqA1 LYS 49 HG3 -0.17 -0.03 -0.01 -0.04 1.46 1.21 1taqA1 LYS 49 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.57 1taqA1 LYS 49 HD3 -0.09 -0.04 -0.04 -0.04 1.68 1.46 1taqA1 LYS 49 HE2 -0.14 0.03 -0.04 -0.04 2.99 2.80 1taqA1 LYS 49 HE3 -0.10 0.04 -0.15 -0.04 2.99 2.75 1taqA1 SER 50 H -0.20 0.60 -0.07 -0.55 8.46 8.25 1taqA1 SER 50 HA -0.13 0.09 0.50 -0.75 4.49 4.19 1taqA1 SER 50 HB2 -0.15 -0.07 0.01 -0.04 3.95 3.70 1taqA1 SER 50 HB3 -0.12 -0.01 0.08 -0.04 3.93 3.84 1taqA1 LEU 51 H -0.21 0.53 -0.28 -0.55 8.37 7.85 1taqA1 LEU 51 HA -0.20 -0.06 0.35 -0.75 4.35 3.69 1taqA1 LEU 51 HB2 -0.26 0.07 0.09 -0.04 1.64 1.50 1taqA1 LEU 51 HB3 -0.01 0.14 0.16 -0.04 1.64 1.89 1taqA1 LEU 51 HG 0.01 0.00 -0.33 -0.04 1.64 1.28 1taqA1 LEU 51 HD13 -0.06 -0.03 -0.06 -0.04 0.93 0.74 1taqA1 LEU 51 HD23 0.20 -0.01 -0.11 -0.04 0.89 0.93 1taqA1 LEU 52 H -0.10 0.59 -0.09 -0.55 8.37 8.22 1taqA1 LEU 52 HA -0.09 0.00 0.32 -0.75 4.35 3.83 1taqA1 LEU 52 HB2 -0.21 0.18 0.12 -0.04 1.64 1.68 1taqA1 LEU 52 HB3 -0.20 0.02 -0.08 -0.04 1.64 1.35 1taqA1 LEU 52 HG -0.31 0.03 -0.13 -0.04 1.64 1.19 1taqA1 LEU 52 HD13 -0.26 -0.01 -0.09 -0.04 0.93 0.53 1taqA1 LEU 52 HD23 -0.72 -0.03 -0.14 -0.04 0.89 -0.04 1taqA1 LYS 53 H -0.12 0.39 -0.28 -0.55 8.42 7.85 1taqA1 LYS 53 HA -0.09 -0.00 0.32 -0.75 4.32 3.80 1taqA1 LYS 53 HB2 -0.09 -0.00 0.11 -0.04 1.87 1.84 1taqA1 LYS 53 HB3 -0.09 0.16 0.16 -0.04 1.79 1.97 1taqA1 LYS 53 HG2 -0.07 0.05 -0.09 -0.04 1.46 1.30 1taqA1 LYS 53 HG3 -0.07 -0.04 -0.15 -0.04 1.46 1.15 1taqA1 LYS 53 HD2 -0.07 -0.03 0.01 -0.04 1.69 1.55 1taqA1 LYS 53 HD3 -0.07 0.03 -0.02 -0.04 1.68 1.58 1taqA1 LYS 53 HE2 -0.07 -0.03 -0.01 -0.04 2.99 2.85 1taqA1 LYS 53 HE3 -0.07 -0.00 -0.05 -0.04 2.99 2.82 1taqA1 ALA 54 H -0.09 0.42 -0.15 -0.55 8.40 8.04 1taqA1 ALA 54 HA -0.05 0.03 0.35 -0.75 4.34 3.92 1taqA1 ALA 54 HB3 -0.07 0.01 0.02 -0.04 1.41 1.33 1taqA1 LEU 55 H -0.06 0.64 -0.10 -0.55 8.37 8.31 1taqA1 LEU 55 HA -0.02 -0.04 0.43 -0.75 4.35 3.96 1taqA1 LEU 55 HB2 -0.03 0.20 0.04 -0.04 1.64 1.81 1taqA1 LEU 55 HB3 -0.02 0.04 -0.05 -0.04 1.64 1.56 1taqA1 LEU 55 HG 0.02 0.03 0.02 -0.04 1.64 1.66 1taqA1 LEU 55 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.82 1taqA1 LEU 55 HD23 0.06 -0.02 -0.11 -0.04 0.89 0.78 1taqA1 LYS 56 H -0.06 0.46 -0.52 -0.55 8.42 7.74 1taqA1 LYS 56 HA -0.04 0.05 0.47 -0.75 4.32 4.04 1taqA1 LYS 56 HB2 -0.06 0.39 0.20 -0.04 1.87 2.36 1taqA1 LYS 56 HB3 -0.05 -0.11 -0.04 -0.04 1.79 1.55 1taqA1 LYS 56 HG2 -0.07 -0.06 -0.01 -0.04 1.46 1.27 1taqA1 LYS 56 HG3 -0.09 0.11 -0.10 -0.04 1.46 1.33 1taqA1 LYS 56 HD2 -0.10 -0.09 -0.11 -0.04 1.69 1.34 1taqA1 LYS 56 HD3 -0.09 -0.05 -0.10 -0.04 1.68 1.41 1taqA1 LYS 56 HE2 -0.05 0.06 -0.01 -0.04 2.99 2.94 1taqA1 LYS 56 HE3 -0.06 -0.05 -0.02 -0.04 2.99 2.82 1taqA1 GLU 57 H -0.04 0.30 -0.11 -0.55 8.60 8.20 1taqA1 GLU 57 HA -0.02 0.04 0.66 -0.75 4.29 4.22 1taqA1 GLU 57 HB2 -0.03 0.10 0.15 -0.04 2.09 2.27 1taqA1 GLU 57 HB3 -0.02 -0.06 0.05 -0.04 1.99 1.93 1taqA1 GLU 57 HG2 -0.02 -0.07 -0.01 -0.04 2.34 2.19 1taqA1 GLU 57 HG3 -0.02 -0.03 0.01 -0.04 2.34 2.26 1taqA1 ASP 58 H -0.02 0.18 -0.19 -0.55 8.40 7.82 1taqA1 ASP 58 HA -0.02 -0.05 0.25 -0.75 4.63 4.06 1taqA1 ASP 58 HB2 -0.00 -0.25 0.21 -0.04 2.71 2.63 1taqA1 ASP 58 HB3 -0.01 0.41 0.05 -0.04 2.70 3.11 1taqA1 GLY 59 H -0.00 0.43 0.18 -0.55 8.43 8.49 1taqA1 GLY 59 HA2 -0.00 0.03 0.29 -0.51 4.01 3.81 1taqA1 GLY 59 HA3 -0.01 -0.01 0.21 -0.51 4.01 3.70 1taqA1 ASP 60 H 0.02 0.18 0.28 -0.55 8.40 8.32 1taqA1 ASP 60 HA 0.02 0.08 0.58 -0.75 4.63 4.56 1taqA1 ASP 60 HB2 0.06 0.05 0.25 -0.04 2.71 3.03 1taqA1 ASP 60 HB3 0.05 0.00 0.12 -0.04 2.70 2.83 1taqA1 ALA 61 H 0.00 0.38 0.15 -0.55 8.40 8.38 1taqA1 ALA 61 HA 0.02 0.23 0.91 -0.75 4.34 4.75 1taqA1 ALA 61 HB3 0.02 -0.01 -0.19 -0.04 1.41 1.18 1taqA1 VAL 62 H 0.02 0.29 0.17 -0.55 8.24 8.17 1taqA1 VAL 62 HA 0.00 0.25 0.97 -0.75 4.13 4.60 1taqA1 VAL 62 HB 0.02 -0.06 0.12 -0.04 2.12 2.15 1taqA1 VAL 62 HG13 0.01 0.00 -0.13 -0.04 0.97 0.81 1taqA1 VAL 62 HG23 0.01 0.02 -0.19 -0.04 0.95 0.74 1taqA1 ILE 63 H 0.01 0.53 0.23 -0.55 8.25 8.46 1taqA1 ILE 63 HA 0.02 0.36 0.98 -0.75 4.18 4.78 1taqA1 ILE 63 HB 0.03 -0.08 -0.03 -0.04 1.89 1.77 1taqA1 ILE 63 HG12 0.01 0.09 -0.25 -0.04 1.49 1.30 1taqA1 ILE 63 HG13 0.07 -0.06 -0.53 -0.04 1.21 0.65 1taqA1 ILE 63 HG23 0.00 -0.01 -0.34 -0.04 0.93 0.54 1taqA1 ILE 63 HD13 0.01 -0.01 -0.25 -0.04 0.88 0.59 1taqA1 VAL 64 H 0.02 0.84 0.28 -0.55 8.24 8.83 1taqA1 VAL 64 HA -0.09 0.08 0.97 -0.75 4.13 4.34 1taqA1 VAL 64 HB 0.10 -0.02 0.12 -0.04 2.12 2.28 1taqA1 VAL 64 HG13 -0.25 -0.02 -0.10 -0.04 0.97 0.55 1taqA1 VAL 64 HG23 0.09 0.04 -0.13 -0.04 0.95 0.90 1taqA1 VAL 65 H -0.16 0.73 0.40 -0.55 8.24 8.66 1taqA1 VAL 65 HA -0.06 0.39 1.01 -0.75 4.13 4.72 1taqA1 VAL 65 HB -0.05 -0.05 0.17 -0.04 2.12 2.14 1taqA1 VAL 65 HG13 0.01 0.00 -0.02 -0.04 0.97 0.91 1taqA1 VAL 65 HG23 -0.01 0.03 -0.17 -0.04 0.95 0.75 1taqA1 PHE 66 H 0.09 0.63 0.33 -0.55 8.34 8.83 1taqA1 PHE 66 HA 0.03 -0.03 0.79 -0.75 4.62 4.65 1taqA1 PHE 66 HB2 -0.03 0.06 -0.11 -0.04 3.15 3.02 1taqA1 PHE 66 HB3 -0.05 0.02 0.06 -0.04 3.06 3.04 1taqA1 PHE 66 HD2 0.03 -0.01 -0.16 -0.04 7.28 7.10 1taqA1 PHE 66 HE2 -0.07 0.07 -0.14 -0.04 7.38 7.19 1taqA1 PHE 66 HZ -0.19 0.06 -0.19 -0.04 7.32 6.96 1taqA1 ASP 67 H -0.13 0.18 0.15 -0.55 8.40 8.05 1taqA1 ASP 67 HA -0.11 0.06 0.79 -0.75 4.63 4.62 1taqA1 ASP 67 HB2 -1.32 -0.07 0.14 -0.04 2.71 1.42 1taqA1 ASP 67 HB3 -0.36 0.08 0.10 -0.04 2.70 2.47 1taqA1 ALA 68 H -0.01 0.38 0.14 -0.55 8.40 8.37 1taqA1 ALA 68 HA -0.02 0.28 0.67 -0.75 4.34 4.51 1taqA1 ALA 68 HB3 -0.01 0.08 -0.40 -0.04 1.41 1.05 1taqA1 ARG 85 HA 0.01 0.01 0.19 -0.75 4.34 3.80 1taqA1 ARG 85 HB2 0.01 -0.09 0.21 -0.04 1.90 1.99 1taqA1 ARG 85 HB3 0.01 0.03 0.08 -0.04 1.80 1.87 1taqA1 ARG 85 HG2 0.01 0.04 -0.15 -0.04 1.67 1.52 1taqA1 ARG 85 HG3 0.03 -0.01 0.32 -0.04 1.67 1.97 1taqA1 ARG 85 HD2 -0.00 -0.04 -4.34 -0.04 3.22 -1.20 1taqA1 ARG 85 HD3 -0.00 0.02 0.77 -0.04 3.22 3.97 1taqA1 ALA 86 H 0.00 0.05 0.09 -0.55 8.40 7.99 1taqA1 ALA 86 HA 0.00 0.15 0.73 -0.75 4.34 4.47 1taqA1 ALA 86 HB3 0.00 -0.01 0.11 -0.04 1.41 1.47 1taqA1 PRO 87 HA 0.01 0.32 0.90 -0.51 4.44 5.15 1taqA1 PRO 87 HB2 0.00 0.01 0.18 -0.04 2.28 2.43 1taqA1 PRO 87 HB3 0.00 0.05 -0.08 -0.04 2.02 1.95 1taqA1 PRO 87 HG2 -0.01 0.02 -0.02 -0.04 2.03 1.98 1taqA1 PRO 87 HG3 -0.00 0.02 -0.01 -0.04 2.03 2.00 1taqA1 PRO 87 HD2 -0.02 0.08 0.03 -0.04 3.68 3.73 1taqA1 PRO 87 HD3 -0.00 0.03 0.15 -0.04 3.65 3.78 1taqA1 THR 88 H -0.01 0.15 -0.25 -0.55 8.28 7.61 1taqA1 THR 88 HA -0.05 0.11 0.59 -0.75 4.39 4.28 1taqA1 THR 88 HB -0.17 -0.01 0.06 -0.04 4.32 4.16 1taqA1 THR 88 HG23 -0.14 -0.03 -0.01 -0.04 1.22 1.00 1taqA1 PRO 89 HA 0.04 0.08 0.48 -0.51 4.44 4.53 1taqA1 PRO 89 HB2 -0.36 -0.19 0.15 -0.04 2.28 1.84 1taqA1 PRO 89 HB3 0.08 0.07 0.13 -0.04 2.02 2.26 1taqA1 PRO 89 HG2 -0.27 0.07 0.10 -0.04 2.03 1.89 1taqA1 PRO 89 HG3 0.07 0.11 0.11 -0.04 2.03 2.27 1taqA1 PRO 89 HD2 -0.38 0.05 0.21 -0.04 3.68 3.51 1taqA1 PRO 89 HD3 -0.06 0.16 0.23 -0.04 3.65 3.94 1taqA1 GLU 90 H 0.07 0.17 0.19 -0.55 8.60 8.48 1taqA1 GLU 90 HA 0.05 0.15 0.31 -0.75 4.29 4.05 1taqA1 GLU 90 HB2 0.05 0.03 0.10 -0.04 2.09 2.23 1taqA1 GLU 90 HB3 0.05 0.05 0.15 -0.04 1.99 2.20 1taqA1 GLU 90 HG2 0.08 0.03 0.06 -0.04 2.34 2.47 1taqA1 GLU 90 HG3 0.11 -0.18 0.04 -0.04 2.34 2.28 1taqA1 ASP 91 H 0.14 -0.04 -0.44 -0.55 8.40 7.52 1taqA1 ASP 91 HA 0.09 0.22 0.92 -0.75 4.63 5.10 1taqA1 ASP 91 HB2 0.15 0.03 -0.02 -0.04 2.71 2.83 1taqA1 ASP 91 HB3 0.39 0.01 0.02 -0.04 2.70 3.07 1taqA1 PHE 92 H 0.01 0.15 -0.10 -0.55 8.34 7.85 1taqA1 PHE 92 HA -0.31 0.00 0.35 -0.75 4.62 3.90 1taqA1 PHE 92 HB2 -0.84 -0.04 0.16 -0.04 3.15 2.38 1taqA1 PHE 92 HB3 -0.23 0.21 0.14 -0.04 3.06 3.15 1taqA1 PHE 92 HD2 -0.47 0.05 -0.06 -0.04 7.28 6.77 1taqA1 PHE 92 HE2 0.08 0.03 -0.18 -0.04 7.38 7.27 1taqA1 PHE 92 HZ 0.16 0.00 -0.10 -0.04 7.32 7.35 1taqA1 PRO 93 HA -0.13 -0.02 0.40 -0.51 4.44 4.18 1taqA1 PRO 93 HB2 0.00 0.04 -0.05 -0.04 2.28 2.23 1taqA1 PRO 93 HB3 0.08 0.05 0.06 -0.04 2.02 2.17 1taqA1 PRO 93 HG2 0.04 0.03 -0.11 -0.04 2.03 1.94 1taqA1 PRO 93 HG3 0.06 0.12 -0.05 -0.04 2.03 2.13 1taqA1 PRO 93 HD2 0.12 0.27 -0.11 -0.04 3.68 3.92 1taqA1 PRO 93 HD3 0.27 0.12 0.03 -0.04 3.65 4.03 1taqA1 ARG 94 H -0.01 0.28 -0.47 -0.55 8.46 7.71 1taqA1 ARG 94 HA -0.03 0.02 0.34 -0.75 4.34 3.91 1taqA1 ARG 94 HB2 0.02 0.03 0.16 -0.04 1.90 2.07 1taqA1 ARG 94 HB3 0.01 0.06 0.13 -0.04 1.80 1.96 1taqA1 ARG 94 HG2 -0.01 -0.04 0.05 -0.04 1.67 1.62 1taqA1 ARG 94 HG3 0.00 0.00 0.06 -0.04 1.67 1.69 1taqA1 ARG 94 HD2 0.01 -0.01 0.04 -0.04 3.22 3.21 1taqA1 ARG 94 HD3 0.02 0.01 0.06 -0.04 3.22 3.27 1taqA1 GLN 95 H -0.06 0.46 -0.01 -0.55 8.47 8.32 1taqA1 GLN 95 HA -0.05 0.07 0.48 -0.75 4.36 4.10 1taqA1 GLN 95 HB2 -0.01 0.14 0.13 -0.04 2.15 2.36 1taqA1 GLN 95 HB3 -0.02 -0.13 -0.03 -0.04 2.02 1.79 1taqA1 GLN 95 HG2 0.01 0.07 -0.00 -0.04 2.40 2.44 1taqA1 GLN 95 HG3 0.08 0.10 0.00 -0.04 2.39 2.53 1taqA1 GLN 95 HE21 -0.07 -0.09 -0.10 -0.04 6.97 6.66 1taqA1 GLN 95 HE22 0.08 0.09 -0.09 -0.04 7.69 7.73 1taqA1 LEU 96 H -0.37 0.61 -0.09 -0.55 8.37 7.97 1taqA1 LEU 96 HA -0.33 0.01 0.36 -0.75 4.35 3.63 1taqA1 LEU 96 HB2 -0.87 0.02 -0.01 -0.04 1.64 0.74 1taqA1 LEU 96 HB3 -0.32 0.10 0.09 -0.04 1.64 1.47 1taqA1 LEU 96 HG -0.30 -0.02 -0.13 -0.04 1.64 1.15 1taqA1 LEU 96 HD13 0.00 -0.02 -0.02 -0.04 0.93 0.84 1taqA1 LEU 96 HD23 0.13 -0.01 -0.03 -0.04 0.89 0.94 1taqA1 ALA 97 H -0.17 0.69 -0.22 -0.55 8.40 8.16 1taqA1 ALA 97 HA -0.19 -0.01 0.41 -0.75 4.34 3.79 1taqA1 ALA 97 HB3 -0.08 0.05 0.10 -0.04 1.41 1.43 1taqA1 LEU 98 H -0.08 0.34 -0.31 -0.55 8.37 7.77 1taqA1 LEU 98 HA 0.10 0.04 0.49 -0.75 4.35 4.23 1taqA1 LEU 98 HB2 -0.00 0.16 0.12 -0.04 1.64 1.88 1taqA1 LEU 98 HB3 0.14 -0.05 0.00 -0.04 1.64 1.69 1taqA1 LEU 98 HG -0.02 0.25 0.09 -0.04 1.64 1.92 1taqA1 LEU 98 HD13 -0.05 -0.02 -0.01 -0.04 0.93 0.81 1taqA1 LEU 98 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 1taqA1 ILE 99 H -0.16 0.42 -0.21 -0.55 8.25 7.75 1taqA1 ILE 99 HA -0.16 0.05 0.46 -0.75 4.18 3.78 1taqA1 ILE 99 HB -0.35 0.18 0.21 -0.04 1.89 1.89 1taqA1 ILE 99 HG12 -0.18 0.12 -0.10 -0.04 1.49 1.29 1taqA1 ILE 99 HG13 -0.39 -0.04 -0.09 -0.04 1.21 0.65 1taqA1 ILE 99 HG23 -0.94 -0.01 -0.18 -0.04 0.93 -0.24 1taqA1 ILE 99 HD13 -0.15 0.00 -0.00 -0.04 0.88 0.69 1taqA1 LYS 100 H -0.31 0.51 -0.13 -0.55 8.42 7.93 1taqA1 LYS 100 HA -0.19 0.01 0.33 -0.75 4.32 3.72 1taqA1 LYS 100 HB2 -0.28 0.14 0.09 -0.04 1.87 1.77 1taqA1 LYS 100 HB3 -0.28 -0.03 -0.02 -0.04 1.79 1.42 1taqA1 LYS 100 HG2 -1.42 -0.07 -0.05 -0.04 1.46 -0.11 1taqA1 LYS 100 HG3 -0.82 0.16 0.05 -0.04 1.46 0.81 1taqA1 LYS 100 HD2 -0.39 0.03 -0.07 -0.04 1.69 1.22 1taqA1 LYS 100 HD3 -0.39 -0.01 -0.04 -0.04 1.68 1.20 1taqA1 LYS 100 HE2 -0.90 -0.06 -0.08 -0.04 2.99 1.90 1taqA1 LYS 100 HE3 -0.75 -0.03 -0.08 -0.04 2.99 2.09 1taqA1 GLU 101 H -0.13 0.41 -0.28 -0.55 8.60 8.05 1taqA1 GLU 101 HA -0.12 -0.01 0.39 -0.75 4.29 3.80 1taqA1 GLU 101 HB2 -0.02 0.15 0.19 -0.04 2.09 2.37 1taqA1 GLU 101 HB3 0.00 0.13 0.15 -0.04 1.99 2.23 1taqA1 GLU 101 HG2 -0.16 -0.05 -0.06 -0.04 2.34 2.04 1taqA1 GLU 101 HG3 -0.04 -0.03 0.05 -0.04 2.34 2.28 1taqA1 LEU 102 H -0.22 0.54 -0.35 -0.55 8.37 7.79 1taqA1 LEU 102 HA -0.70 -0.06 0.21 -0.75 4.35 3.05 1taqA1 LEU 102 HB2 -0.25 0.00 0.08 -0.04 1.64 1.44 1taqA1 LEU 102 HB3 -0.11 0.22 0.16 -0.04 1.64 1.87 1taqA1 LEU 102 HG -0.07 0.01 -0.27 -0.04 1.64 1.27 1taqA1 LEU 102 HD13 -0.27 -0.02 -0.05 -0.04 0.93 0.55 1taqA1 LEU 102 HD23 0.18 -0.02 -0.07 -0.04 0.89 0.95 1taqA1 VAL 103 H -0.09 0.40 -0.22 -0.55 8.24 7.78 1taqA1 VAL 103 HA 0.04 0.02 0.36 -0.75 4.13 3.80 1taqA1 VAL 103 HB 0.05 0.08 0.13 -0.04 2.12 2.33 1taqA1 VAL 103 HG13 0.11 0.01 -0.26 -0.04 0.97 0.79 1taqA1 VAL 103 HG23 0.24 0.04 -0.08 -0.04 0.95 1.11 1taqA1 ASP 104 H -0.09 0.66 -0.06 -0.55 8.40 8.37 1taqA1 ASP 104 HA -0.04 0.07 0.43 -0.75 4.63 4.34 1taqA1 ASP 104 HB2 -0.11 0.17 0.27 -0.04 2.71 2.99 1taqA1 ASP 104 HB3 -0.07 -0.07 0.03 -0.04 2.70 2.55 1taqA1 LEU 105 H -0.18 0.64 0.01 -0.55 8.37 8.30 1taqA1 LEU 105 HA -0.11 -0.07 0.39 -0.75 4.35 3.81 1taqA1 LEU 105 HB2 -0.35 0.14 -0.03 -0.04 1.64 1.35 1taqA1 LEU 105 HB3 -0.20 -0.14 0.03 -0.04 1.64 1.28 1taqA1 LEU 105 HG -0.25 0.33 0.04 -0.04 1.64 1.71 1taqA1 LEU 105 HD13 -0.35 -0.03 -0.20 -0.04 0.93 0.31 1taqA1 LEU 105 HD23 -0.09 -0.04 0.00 -0.04 0.89 0.72 1taqA1 LEU 106 H -0.11 0.36 -0.86 -0.55 8.37 7.22 1taqA1 LEU 106 HA -0.08 0.05 0.80 -0.75 4.35 4.36 1taqA1 LEU 106 HB2 -0.03 0.11 0.08 -0.04 1.64 1.77 1taqA1 LEU 106 HB3 0.01 -0.03 0.08 -0.04 1.64 1.66 1taqA1 LEU 106 HG -0.22 0.19 -0.06 -0.04 1.64 1.51 1taqA1 LEU 106 HD13 0.10 -0.03 -0.09 -0.04 0.93 0.87 1taqA1 LEU 106 HD23 -0.36 -0.02 -0.06 -0.04 0.89 0.41 1taqA1 GLY 107 H -0.04 0.80 0.01 -0.55 8.43 8.65 1taqA1 GLY 107 HA2 -0.02 0.00 0.26 -0.51 4.01 3.74 1taqA1 GLY 107 HA3 -0.01 0.09 0.13 -0.51 4.01 3.71 1taqA1 LEU 108 H 0.00 0.41 -0.02 -0.55 8.37 8.22 1taqA1 LEU 108 HA 0.02 0.17 0.85 -0.75 4.35 4.63 1taqA1 LEU 108 HB2 0.05 -0.07 -0.08 -0.04 1.64 1.50 1taqA1 LEU 108 HB3 0.04 -0.02 -0.06 -0.04 1.64 1.55 1taqA1 LEU 108 HG 0.03 0.03 -0.26 -0.04 1.64 1.39 1taqA1 LEU 108 HD13 0.07 -0.03 -0.10 -0.04 0.93 0.84 1taqA1 LEU 108 HD23 0.03 0.03 -0.14 -0.04 0.89 0.77 1taqA1 ALA 109 H 0.02 0.44 0.23 -0.55 8.40 8.55 1taqA1 ALA 109 HA 0.01 0.04 0.56 -0.75 4.34 4.19 1taqA1 ALA 109 HB3 -0.01 0.04 0.10 -0.04 1.41 1.50 1taqA1 ARG 110 H 0.03 0.19 0.23 -0.55 8.46 8.35 1taqA1 ARG 110 HA 0.13 0.19 0.84 -0.75 4.34 4.75 1taqA1 ARG 110 HB2 0.06 0.06 0.08 -0.04 1.90 2.06 1taqA1 ARG 110 HB3 0.08 -0.04 -0.08 -0.04 1.80 1.72 1taqA1 ARG 110 HG2 0.43 -0.05 -0.04 -0.04 1.67 1.97 1taqA1 ARG 110 HG3 0.36 0.01 -0.03 -0.04 1.67 1.97 1taqA1 ARG 110 HD2 -0.09 -0.09 -0.02 -0.04 3.22 2.98 1taqA1 ARG 110 HD3 0.01 0.07 -0.02 -0.04 3.22 3.24 1taqA1 LEU 111 H 0.13 0.56 0.25 -0.55 8.37 8.76 1taqA1 LEU 111 HA 0.04 0.12 0.73 -0.75 4.35 4.49 1taqA1 LEU 111 HB2 0.00 0.11 -0.34 -0.04 1.64 1.37 1taqA1 LEU 111 HB3 0.02 -0.02 -0.16 -0.04 1.64 1.44 1taqA1 LEU 111 HG 0.03 -0.09 -0.42 -0.04 1.64 1.12 1taqA1 LEU 111 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.79 1taqA1 LEU 111 HD23 -0.01 0.01 -0.20 -0.04 0.89 0.65 1taqA1 GLU 112 H 0.04 0.40 0.07 -0.55 8.60 8.57 1taqA1 GLU 112 HA 0.07 0.16 0.57 -0.75 4.29 4.33 1taqA1 GLU 112 HB2 0.04 -0.03 -0.36 -0.04 2.09 1.71 1taqA1 GLU 112 HB3 0.13 -0.05 -0.30 -0.04 1.99 1.72 1taqA1 GLU 112 HG2 0.03 -0.01 -0.06 -0.04 2.34 2.27 1taqA1 GLU 112 HG3 0.01 0.03 -0.10 -0.04 2.34 2.23 1taqA1 VAL 113 H 0.07 0.19 0.05 -0.55 8.24 8.00 1taqA1 VAL 113 HA -0.01 0.25 0.91 -0.75 4.13 4.53 1taqA1 VAL 113 HB 0.18 -0.07 0.01 -0.04 2.12 2.21 1taqA1 VAL 113 HG13 -0.05 0.05 -0.03 -0.04 0.97 0.91 1taqA1 VAL 113 HG23 0.11 0.00 -0.14 -0.04 0.95 0.88 1taqA1 PRO 114 HA -0.06 0.10 0.52 -0.51 4.44 4.49 1taqA1 PRO 114 HB2 -0.08 0.05 0.05 -0.04 2.28 2.26 1taqA1 PRO 114 HB3 -0.05 0.00 0.11 -0.04 2.02 2.04 1taqA1 PRO 114 HG2 -0.10 0.04 0.13 -0.04 2.03 2.06 1taqA1 PRO 114 HG3 -0.06 0.05 0.09 -0.04 2.03 2.08 1taqA1 PRO 114 HD2 -0.05 0.10 0.25 -0.04 3.68 3.94 1taqA1 PRO 114 HD3 -0.04 0.16 0.10 -0.04 3.65 3.83 1taqA1 GLY 115 H -0.05 0.56 0.25 -0.55 8.43 8.64 1taqA1 GLY 115 HA2 -0.05 -0.03 0.33 -0.51 4.01 3.75 1taqA1 GLY 115 HA3 -0.17 0.16 0.71 -0.51 4.01 4.20 1taqA1 TYR 116 H 0.03 0.49 0.08 -0.55 8.29 8.34 1taqA1 TYR 116 HA -0.01 0.20 1.02 -0.75 4.56 5.02 1taqA1 TYR 116 HB2 -0.01 0.06 0.02 -0.04 3.06 3.09 1taqA1 TYR 116 HB3 -0.00 -0.08 -0.10 -0.04 2.98 2.76 1taqA1 TYR 116 HD2 -0.01 0.04 -0.10 -0.04 7.15 7.04 1taqA1 TYR 116 HE2 -0.01 0.05 -0.09 -0.04 6.85 6.75 1taqA1 GLU 117 H 0.10 0.20 0.15 -0.55 8.60 8.50 1taqA1 GLU 117 HA 0.05 0.09 0.63 -0.75 4.29 4.30 1taqA1 GLU 117 HB2 0.05 -0.02 0.15 -0.04 2.09 2.23 1taqA1 GLU 117 HB3 0.09 -0.02 0.04 -0.04 1.99 2.06 1taqA1 GLU 117 HG2 0.06 0.03 -0.01 -0.04 2.34 2.37 1taqA1 GLU 117 HG3 0.06 0.03 0.03 -0.04 2.34 2.42 1taqA1 ALA 118 H 0.01 0.15 0.13 -0.55 8.40 8.15 1taqA1 ALA 118 HA 0.04 0.18 0.23 -0.75 4.34 4.03 1taqA1 ALA 118 HB3 0.08 -0.01 -0.09 -0.04 1.41 1.35 1taqA1 ASP 119 H 0.15 0.07 -0.24 -0.55 8.40 7.83 1taqA1 ASP 119 HA 0.07 0.01 0.35 -0.75 4.63 4.31 1taqA1 ASP 119 HB2 0.08 0.02 0.09 -0.04 2.71 2.86 1taqA1 ASP 119 HB3 0.04 0.17 -0.00 -0.04 2.70 2.86 1taqA1 ASP 120 H 0.01 0.38 -0.03 -0.55 8.40 8.21 1taqA1 ASP 120 HA -0.05 0.07 0.44 -0.75 4.63 4.33 1taqA1 ASP 120 HB2 -0.10 0.01 0.12 -0.04 2.71 2.70 1taqA1 ASP 120 HB3 -0.24 0.03 -0.04 -0.04 2.70 2.41 1taqA1 VAL 121 H -0.02 0.26 -0.25 -0.55 8.24 7.69 1taqA1 VAL 121 HA -0.04 0.07 0.32 -0.75 4.13 3.73 1taqA1 VAL 121 HB 0.03 0.12 0.02 -0.04 2.12 2.24 1taqA1 VAL 121 HG13 0.03 0.00 -0.23 -0.04 0.97 0.74 1taqA1 VAL 121 HG23 0.09 -0.03 -0.14 -0.04 0.95 0.84 1taqA1 LEU 122 H 0.01 0.51 -0.18 -0.55 8.37 8.16 1taqA1 LEU 122 HA 0.01 0.02 0.25 -0.75 4.35 3.88 1taqA1 LEU 122 HB2 0.03 0.09 0.15 -0.04 1.64 1.86 1taqA1 LEU 122 HB3 0.01 0.01 -0.13 -0.04 1.64 1.50 1taqA1 LEU 122 HG 0.02 0.04 -0.07 -0.04 1.64 1.59 1taqA1 LEU 122 HD13 0.06 -0.06 -0.16 -0.04 0.93 0.73 1taqA1 LEU 122 HD23 -0.01 0.02 -0.23 -0.04 0.89 0.64 1taqA1 ALA 123 H 0.00 0.69 -0.05 -0.55 8.40 8.50 1taqA1 ALA 123 HA 0.00 0.01 0.35 -0.75 4.34 3.95 1taqA1 ALA 123 HB3 -0.01 0.03 -0.03 -0.04 1.41 1.36 1taqA1 SER 124 H -0.02 0.56 -0.27 -0.55 8.46 8.18 1taqA1 SER 124 HA -0.01 0.13 0.53 -0.75 4.49 4.39 1taqA1 SER 124 HB2 -0.03 0.03 0.10 -0.04 3.95 4.01 1taqA1 SER 124 HB3 -0.01 0.07 -0.01 -0.04 3.93 3.94 1taqA1 LEU 125 H 0.03 0.63 -0.14 -0.55 8.37 8.34 1taqA1 LEU 125 HA 0.15 0.03 0.34 -0.75 4.35 4.11 1taqA1 LEU 125 HB2 0.05 0.08 0.08 -0.04 1.64 1.81 1taqA1 LEU 125 HB3 0.15 -0.05 -0.13 -0.04 1.64 1.57 1taqA1 LEU 125 HG 0.04 0.08 -0.09 -0.04 1.64 1.63 1taqA1 LEU 125 HD13 0.04 -0.04 -0.20 -0.04 0.93 0.69 1taqA1 LEU 125 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.77 1taqA1 ALA 126 H 0.01 0.60 -0.21 -0.55 8.40 8.24 1taqA1 ALA 126 HA -0.06 -0.02 0.34 -0.75 4.34 3.85 1taqA1 ALA 126 HB3 -0.02 0.03 0.04 -0.04 1.41 1.42 1taqA1 LYS 127 H -0.00 0.53 -0.14 -0.55 8.42 8.25 1taqA1 LYS 127 HA -0.01 0.00 0.36 -0.75 4.32 3.92 1taqA1 LYS 127 HB2 0.01 0.18 0.25 -0.04 1.87 2.26 1taqA1 LYS 127 HB3 0.00 -0.07 0.03 -0.04 1.79 1.71 1taqA1 LYS 127 HG2 -0.01 0.21 0.10 -0.04 1.46 1.72 1taqA1 LYS 127 HG3 -0.01 -0.12 0.06 -0.04 1.46 1.36 1taqA1 LYS 127 HD2 -0.01 0.00 -0.00 -0.04 1.69 1.64 1taqA1 LYS 127 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.64 1taqA1 LYS 127 HE2 -0.01 -0.05 0.01 -0.04 2.99 2.91 1taqA1 LYS 127 HE3 -0.00 -0.00 0.05 -0.04 2.99 2.99 1taqA1 LYS 128 H 0.05 0.63 -0.08 -0.55 8.42 8.46 1taqA1 LYS 128 HA 0.07 -0.02 0.41 -0.75 4.32 4.02 1taqA1 LYS 128 HB2 0.13 0.16 0.16 -0.04 1.87 2.27 1taqA1 LYS 128 HB3 0.32 -0.01 0.17 -0.04 1.79 2.23 1taqA1 LYS 128 HG2 0.36 -0.03 -0.07 -0.04 1.46 1.68 1taqA1 LYS 128 HG3 0.14 -0.07 0.04 -0.04 1.46 1.53 1taqA1 LYS 128 HD2 0.08 -0.00 0.02 -0.04 1.69 1.74 1taqA1 LYS 128 HD3 0.13 -0.02 -0.05 -0.04 1.68 1.70 1taqA1 LYS 128 HE2 0.07 -0.13 0.03 -0.04 2.99 2.93 1taqA1 LYS 128 HE3 0.01 0.19 0.13 -0.04 2.99 3.28 1taqA1 ALA 129 H -0.10 0.57 -0.05 -0.55 8.40 8.26 1taqA1 ALA 129 HA -0.50 -0.04 0.21 -0.75 4.34 3.25 1taqA1 ALA 129 HB3 -0.90 0.01 -0.04 -0.04 1.41 0.43 1taqA1 GLU 130 H -0.07 0.51 -0.48 -0.55 8.60 8.01 1taqA1 GLU 130 HA -0.04 0.21 0.44 -0.75 4.29 4.15 1taqA1 GLU 130 HB2 -0.05 0.01 0.09 -0.04 2.09 2.09 1taqA1 GLU 130 HB3 -0.03 0.16 0.25 -0.04 1.99 2.33 1taqA1 GLU 130 HG2 -0.03 -0.03 -0.14 -0.04 2.34 2.09 1taqA1 GLU 130 HG3 -0.04 -0.07 0.07 -0.04 2.34 2.26 1taqA1 LYS 131 H -0.00 0.71 0.12 -0.55 8.42 8.70 1taqA1 LYS 131 HA -0.01 -0.05 0.44 -0.75 4.32 3.95 1taqA1 LYS 131 HB2 0.01 -0.08 0.16 -0.04 1.87 1.91 1taqA1 LYS 131 HB3 0.03 0.20 0.29 -0.04 1.79 2.27 1taqA1 LYS 131 HG2 0.02 -0.06 0.01 -0.04 1.46 1.39 1taqA1 LYS 131 HG3 0.03 0.02 -0.16 -0.04 1.46 1.31 1taqA1 LYS 131 HD2 0.01 -0.05 -0.04 -0.04 1.69 1.56 1taqA1 LYS 131 HD3 -0.00 0.02 0.04 -0.04 1.68 1.70 1taqA1 LYS 131 HE2 -0.00 0.03 0.07 -0.04 2.99 3.04 1taqA1 LYS 131 HE3 0.00 -0.04 0.02 -0.04 2.99 2.94 1taqA1 GLU 132 H 0.06 0.63 -0.14 -0.55 8.60 8.61 1taqA1 GLU 132 HA 0.01 -0.02 0.30 -0.75 4.29 3.83 1taqA1 GLU 132 HB2 0.22 0.08 -0.02 -0.04 2.09 2.34 1taqA1 GLU 132 HB3 0.19 -0.03 0.06 -0.04 1.99 2.17 1taqA1 GLU 132 HG2 0.14 -0.04 0.03 -0.04 2.34 2.43 1taqA1 GLU 132 HG3 0.10 -0.03 -0.01 -0.04 2.34 2.36 1taqA1 GLY 133 H -0.06 0.48 -0.79 -0.55 8.43 7.51 1taqA1 GLY 133 HA2 -0.11 0.01 0.36 -0.51 4.01 3.76 1taqA1 GLY 133 HA3 -0.20 -0.01 0.69 -0.51 4.01 3.98 1taqA1 TYR 134 H -0.01 0.56 0.10 -0.55 8.29 8.39 1taqA1 TYR 134 HA -0.10 0.09 0.97 -0.75 4.56 4.76 1taqA1 TYR 134 HB2 -0.26 0.13 -0.30 -0.04 3.06 2.58 1taqA1 TYR 134 HB3 -0.20 -0.02 -0.29 -0.04 2.98 2.43 1taqA1 TYR 134 HD2 -0.19 0.06 -0.25 -0.04 7.15 6.72 1taqA1 TYR 134 HE2 0.02 -0.01 -0.14 -0.04 6.85 6.68 1taqA1 GLU 135 H 0.04 0.73 0.38 -0.55 8.60 9.20 1taqA1 GLU 135 HA -0.09 0.03 0.78 -0.75 4.29 4.25 1taqA1 GLU 135 HB2 -0.05 -0.00 0.16 -0.04 2.09 2.16 1taqA1 GLU 135 HB3 -0.04 -0.06 0.25 -0.04 1.99 2.10 1taqA1 GLU 135 HG2 -0.14 0.03 -0.01 -0.04 2.34 2.18 1taqA1 GLU 135 HG3 -0.15 -0.06 0.17 -0.04 2.34 2.25 1taqA1 VAL 136 H -0.14 0.50 0.05 -0.55 8.24 8.11 1taqA1 VAL 136 HA -0.10 0.14 1.17 -0.75 4.13 4.58 1taqA1 VAL 136 HB -0.09 -0.04 0.02 -0.04 2.12 1.96 1taqA1 VAL 136 HG13 -0.09 -0.02 -0.14 -0.04 0.97 0.68 1taqA1 VAL 136 HG23 -0.14 0.06 -0.37 -0.04 0.95 0.47 1taqA1 ARG 137 H -0.07 0.73 0.32 -0.55 8.46 8.90 1taqA1 ARG 137 HA -0.03 0.09 0.85 -0.75 4.34 4.50 1taqA1 ARG 137 HB2 -0.03 0.01 0.08 -0.04 1.90 1.92 1taqA1 ARG 137 HB3 -0.01 -0.03 -0.10 -0.04 1.80 1.62 1taqA1 ARG 137 HG2 -0.05 0.01 -0.27 -0.04 1.67 1.33 1taqA1 ARG 137 HG3 -0.05 -0.01 -0.19 -0.04 1.67 1.37 1taqA1 ARG 137 HD2 0.01 -0.05 -0.10 -0.04 3.22 3.04 1taqA1 ARG 137 HD3 -0.01 -0.00 -0.09 -0.04 3.22 3.08 1taqA1 ILE 138 H -0.02 0.58 0.16 -0.55 8.25 8.42 1taqA1 ILE 138 HA -0.03 0.22 0.95 -0.75 4.18 4.57 1taqA1 ILE 138 HB -0.01 -0.03 0.17 -0.04 1.89 1.98 1taqA1 ILE 138 HG12 -0.02 -0.04 -0.14 -0.04 1.49 1.25 1taqA1 ILE 138 HG13 -0.02 0.20 0.01 -0.04 1.21 1.36 1taqA1 ILE 138 HG23 -0.01 -0.03 -0.22 -0.04 0.93 0.63 1taqA1 ILE 138 HD13 -0.00 -0.02 -0.11 -0.04 0.88 0.71 1taqA1 LEU 139 H -0.04 0.59 0.27 -0.55 8.37 8.64 1taqA1 LEU 139 HA -0.05 0.28 0.79 -0.75 4.35 4.62 1taqA1 LEU 139 HB2 -0.06 0.05 0.02 -0.04 1.64 1.60 1taqA1 LEU 139 HB3 -0.09 -0.18 0.19 -0.04 1.64 1.52 1taqA1 LEU 139 HG -0.08 0.10 -0.15 -0.04 1.64 1.47 1taqA1 LEU 139 HD13 -0.14 0.01 -0.10 -0.04 0.93 0.66 1taqA1 LEU 139 HD23 -0.12 -0.01 -0.32 -0.04 0.89 0.40 1taqA1 THR 140 H -0.04 0.78 0.34 -0.55 8.28 8.81 1taqA1 THR 140 HA -0.05 -0.01 0.62 -0.75 4.39 4.19 1taqA1 THR 140 HB -0.00 0.04 -0.31 -0.04 4.32 4.01 1taqA1 THR 140 HG23 0.03 0.05 -0.31 -0.04 1.22 0.95 1taqA1 ALA 141 H -0.07 -0.06 0.16 -0.55 8.40 7.89 1taqA1 ALA 141 HA -0.47 0.21 0.82 -0.75 4.34 4.14 1taqA1 ALA 141 HB3 -0.15 0.00 0.06 -0.04 1.41 1.28 1taqA1 ASP 142 H -0.05 -0.07 0.11 -0.55 8.40 7.85 1taqA1 ASP 142 HA -0.08 0.04 0.41 -0.75 4.63 4.24 1taqA1 ASP 142 HB2 -0.18 0.06 0.12 -0.04 2.71 2.66 1taqA1 ASP 142 HB3 -0.15 -0.02 0.17 -0.04 2.70 2.66 1taqA1 LYS 143 H -0.12 0.12 0.22 -0.55 8.42 8.09 1taqA1 LYS 143 HA -1.22 0.17 0.41 -0.75 4.32 2.93 1taqA1 LYS 143 HB2 0.08 -0.03 0.07 -0.04 1.87 1.95 1taqA1 LYS 143 HB3 -0.10 0.04 0.05 -0.04 1.79 1.73 1taqA1 LYS 143 HG2 -0.24 0.15 0.05 -0.04 1.46 1.38 1taqA1 LYS 143 HG3 -0.02 -0.06 0.12 -0.04 1.46 1.46 1taqA1 LYS 143 HD2 0.23 0.02 0.00 -0.04 1.69 1.90 1taqA1 LYS 143 HD3 0.20 0.02 0.01 -0.04 1.68 1.87 1taqA1 LYS 143 HE2 0.11 -0.04 0.03 -0.04 2.99 3.05 1taqA1 LYS 143 HE3 0.20 -0.02 0.01 -0.04 2.99 3.14 1taqA1 ASP 144 H -0.02 0.04 -0.24 -0.55 8.40 7.62 1taqA1 ASP 144 HA 0.30 0.08 0.25 -0.75 4.63 4.51 1taqA1 ASP 144 HB2 0.01 -0.07 0.02 -0.04 2.71 2.63 1taqA1 ASP 144 HB3 0.06 0.20 0.03 -0.04 2.70 2.95 1taqA1 LEU 145 H 0.00 0.17 -0.37 -0.55 8.37 7.63 1taqA1 LEU 145 HA 0.07 0.04 0.18 -0.75 4.35 3.88 1taqA1 LEU 145 HB2 0.07 0.11 -0.13 -0.04 1.64 1.65 1taqA1 LEU 145 HB3 0.04 0.04 0.00 -0.04 1.64 1.69 1taqA1 LEU 145 HG 0.01 -0.05 -0.05 -0.04 1.64 1.52 1taqA1 LEU 145 HD13 0.03 -0.00 -0.12 -0.04 0.93 0.79 1taqA1 LEU 145 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.80 1taqA1 TYR 146 H -0.02 0.70 -0.69 -0.55 8.29 7.73 1taqA1 TYR 146 HA -0.36 0.05 0.34 -0.75 4.56 3.84 1taqA1 TYR 146 HB2 -2.33 0.11 0.01 -0.04 3.06 0.80 1taqA1 TYR 146 HB3 -1.50 -0.07 -0.04 -0.04 2.98 1.33 1taqA1 TYR 146 HD2 -0.65 -0.06 -0.19 -0.04 7.15 6.21 1taqA1 TYR 146 HE2 -0.04 0.01 -0.14 -0.04 6.85 6.65 1taqA1 GLN 147 H 0.21 0.53 -0.14 -0.55 8.47 8.52 1taqA1 GLN 147 HA 0.16 0.05 0.47 -0.75 4.36 4.27 1taqA1 GLN 147 HB2 0.17 0.00 0.08 -0.04 2.15 2.36 1taqA1 GLN 147 HB3 0.40 -0.08 0.03 -0.04 2.02 2.34 1taqA1 GLN 147 HG2 0.14 0.05 -0.01 -0.04 2.40 2.54 1taqA1 GLN 147 HG3 0.08 0.03 -0.24 -0.04 2.39 2.23 1taqA1 GLN 147 HE21 0.08 0.27 -0.12 -0.04 6.97 7.15 1taqA1 GLN 147 HE22 0.17 0.18 -0.02 -0.04 7.69 7.98 1taqA1 LEU 148 H 0.04 0.23 -0.40 -0.55 8.37 7.69 1taqA1 LEU 148 HA 0.01 0.07 0.46 -0.75 4.35 4.13 1taqA1 LEU 148 HB2 0.01 0.15 -0.06 -0.04 1.64 1.70 1taqA1 LEU 148 HB3 -0.00 -0.01 0.03 -0.04 1.64 1.61 1taqA1 LEU 148 HG 0.04 -0.08 -0.06 -0.04 1.64 1.49 1taqA1 LEU 148 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 1taqA1 LEU 148 HD23 0.01 0.02 -0.06 -0.04 0.89 0.82 1taqA1 LEU 149 H -0.06 0.16 -0.68 -0.55 8.37 7.25 1taqA1 LEU 149 HA -0.04 0.13 0.35 -0.75 4.35 4.04 1taqA1 LEU 149 HB2 -0.19 0.54 0.18 -0.04 1.64 2.13 1taqA1 LEU 149 HB3 -0.13 -0.16 -0.04 -0.04 1.64 1.26 1taqA1 LEU 149 HG -0.14 -0.11 -0.13 -0.04 1.64 1.22 1taqA1 LEU 149 HD13 -0.20 0.12 -0.05 -0.04 0.93 0.76 1taqA1 LEU 149 HD23 -0.38 -0.06 -0.32 -0.04 0.89 0.09 1taqA1 SER 150 H 0.06 0.89 0.49 -0.55 8.46 9.34 1taqA1 SER 150 HA -0.01 -0.10 0.40 -0.75 4.49 4.03 1taqA1 SER 150 HB2 -0.02 0.10 -0.03 -0.04 3.95 3.97 1taqA1 SER 150 HB3 -0.01 -0.01 0.30 -0.04 3.93 4.16 1taqA1 ASP 151 H 0.01 0.08 0.23 -0.55 8.40 8.18 1taqA1 ASP 151 HA 0.14 0.07 0.68 -0.75 4.63 4.77 1taqA1 ASP 151 HB2 0.02 0.03 0.13 -0.04 2.71 2.85 1taqA1 ASP 151 HB3 0.05 -0.02 0.16 -0.04 2.70 2.85 1taqA1 ARG 152 H -0.16 0.13 0.04 -0.55 8.46 7.92 1taqA1 ARG 152 HA -0.15 -0.00 0.45 -0.75 4.34 3.88 1taqA1 ARG 152 HB2 -0.07 0.11 0.50 -0.04 1.90 2.40 1taqA1 ARG 152 HB3 -0.08 0.19 0.24 -0.04 1.80 2.11 1taqA1 ARG 152 HG2 -0.04 -0.14 -0.61 -0.04 1.67 0.84 1taqA1 ARG 152 HG3 -0.04 0.04 -0.03 -0.04 1.67 1.60 1taqA1 ARG 152 HD2 -0.06 -0.09 -0.01 -0.04 3.22 3.02 1taqA1 ARG 152 HD3 -0.04 -0.05 -0.05 -0.04 3.22 3.04 1taqA1 ILE 153 H -0.09 0.39 -0.47 -0.55 8.25 7.53 1taqA1 ILE 153 HA -0.13 0.24 0.79 -0.75 4.18 4.32 1taqA1 ILE 153 HB -0.03 0.07 0.12 -0.04 1.89 2.02 1taqA1 ILE 153 HG12 -0.06 -0.00 -0.07 -0.04 1.49 1.31 1taqA1 ILE 153 HG13 -0.06 -0.04 0.04 -0.04 1.21 1.11 1taqA1 ILE 153 HG23 -0.03 -0.03 -0.25 -0.04 0.93 0.58 1taqA1 ILE 153 HD13 -0.03 -0.00 -0.07 -0.04 0.88 0.74 1taqA1 HIS 154 H -0.06 0.72 0.48 -0.55 8.41 9.00 1taqA1 HIS 154 HA -0.11 0.16 1.00 -0.75 4.63 4.93 1taqA1 HIS 154 HB2 -0.07 -0.01 0.01 -0.04 3.26 3.16 1taqA1 HIS 154 HB3 -0.11 -0.04 0.08 -0.04 3.20 3.10 1taqA1 HIS 154 HD2 -0.04 0.01 -0.08 -0.04 6.97 6.81 1taqA1 HIS 154 HE1 -0.03 -0.13 0.07 -0.04 7.75 7.62 1taqA1 VAL 155 H -0.08 0.48 0.21 -0.55 8.24 8.29 1taqA1 VAL 155 HA -0.03 0.18 1.03 -0.75 4.13 4.55 1taqA1 VAL 155 HB -0.27 -0.05 0.08 -0.04 2.12 1.83 1taqA1 VAL 155 HG13 0.10 -0.01 -0.23 -0.04 0.97 0.79 1taqA1 VAL 155 HG23 -0.00 -0.02 -0.35 -0.04 0.95 0.53 1taqA1 LEU 156 H -0.03 0.67 0.13 -0.55 8.37 8.60 1taqA1 LEU 156 HA -0.03 0.20 0.88 -0.75 4.35 4.64 1taqA1 LEU 156 HB2 -0.03 -0.09 -0.09 -0.04 1.64 1.38 1taqA1 LEU 156 HB3 -0.03 0.08 -0.09 -0.04 1.64 1.55 1taqA1 LEU 156 HG -0.03 0.11 -0.02 -0.04 1.64 1.66 1taqA1 LEU 156 HD13 -0.01 -0.02 -0.30 -0.04 0.93 0.55 1taqA1 LEU 156 HD23 -0.03 0.01 -0.11 -0.04 0.89 0.71 1taqA1 HIS 157 H 0.12 0.45 0.21 -0.55 8.41 8.64 1taqA1 HIS 157 HA 0.05 0.39 0.64 -0.75 4.63 4.96 1taqA1 HIS 157 HB2 0.18 -0.01 0.08 -0.04 3.26 3.47 1taqA1 HIS 157 HB3 0.21 -0.15 0.03 -0.04 3.20 3.25 1taqA1 HIS 157 HD2 0.17 0.04 0.02 -0.04 6.97 7.15 1taqA1 HIS 157 HE1 0.15 0.00 0.00 -0.04 7.75 7.86 1taqA1 PRO 158 HA -0.07 0.12 0.29 -0.51 4.44 4.27 1taqA1 PRO 158 HB2 -0.04 -0.00 -0.04 -0.04 2.28 2.16 1taqA1 PRO 158 HB3 -0.07 0.03 0.00 -0.04 2.02 1.94 1taqA1 PRO 158 HG2 -0.16 -0.07 -0.05 -0.04 2.03 1.72 1taqA1 PRO 158 HG3 -0.13 0.04 -0.14 -0.04 2.03 1.76 1taqA1 PRO 158 HD2 -0.96 0.02 0.13 -0.04 3.68 2.82 1taqA1 PRO 158 HD3 -0.35 0.46 -0.32 -0.04 3.65 3.40 1taqA1 GLU 159 H 0.45 0.00 -0.37 -0.55 8.60 8.14 1taqA1 GLU 159 HA 0.01 0.08 0.41 -0.75 4.29 4.05 1taqA1 GLU 159 HB2 0.41 -0.06 0.02 -0.04 2.09 2.42 1taqA1 GLU 159 HB3 -0.06 0.00 -0.11 -0.04 1.99 1.78 1taqA1 GLU 159 HG2 0.02 0.02 0.02 -0.04 2.34 2.36 1taqA1 GLU 159 HG3 0.08 -0.03 -0.03 -0.04 2.34 2.33 1taqA1 GLY 160 H 0.01 0.17 -0.28 -0.55 8.43 7.79 1taqA1 GLY 160 HA2 -0.14 0.12 0.26 -0.51 4.01 3.74 1taqA1 GLY 160 HA3 -0.36 0.02 0.63 -0.51 4.01 3.79 1taqA1 TYR 161 H -0.33 0.10 0.08 -0.55 8.29 7.60 1taqA1 TYR 161 HA -0.13 0.05 0.29 -0.75 4.56 4.02 1taqA1 TYR 161 HB2 -0.65 -0.02 0.05 -0.04 3.06 2.41 1taqA1 TYR 161 HB3 -0.39 0.02 0.09 -0.04 2.98 2.66 1taqA1 TYR 161 HD2 -0.09 0.08 -0.16 -0.04 7.15 6.95 1taqA1 TYR 161 HE2 -0.52 -0.02 -0.08 -0.04 6.85 6.19 1taqA1 LEU 162 H -0.22 0.13 -0.07 -0.55 8.37 7.66 1taqA1 LEU 162 HA -0.13 0.27 0.77 -0.75 4.35 4.50 1taqA1 LEU 162 HB2 -0.06 -0.05 -0.10 -0.04 1.64 1.39 1taqA1 LEU 162 HB3 -0.13 -0.08 0.20 -0.04 1.64 1.59 1taqA1 LEU 162 HG -0.03 0.08 -0.03 -0.04 1.64 1.63 1taqA1 LEU 162 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 1taqA1 LEU 162 HD23 -0.04 0.02 -0.11 -0.04 0.89 0.72 1taqA1 ILE 163 H -0.41 0.37 0.13 -0.55 8.25 7.79 1taqA1 ILE 163 HA -1.18 -0.06 0.53 -0.75 4.18 2.72 1taqA1 ILE 163 HB -0.62 -0.01 0.17 -0.04 1.89 1.39 1taqA1 ILE 163 HG12 -0.36 0.14 0.02 -0.04 1.49 1.25 1taqA1 ILE 163 HG13 -0.47 0.01 -0.05 -0.04 1.21 0.66 1taqA1 ILE 163 HG23 -1.35 0.00 -0.08 -0.04 0.93 -0.54 1taqA1 ILE 163 HD13 -1.26 -0.04 -0.03 -0.04 0.88 -0.49 1taqA1 THR 164 H -0.14 0.03 0.35 -0.55 8.28 7.97 1taqA1 THR 164 HA -0.30 0.33 0.93 -0.75 4.39 4.59 1taqA1 THR 164 HB -0.28 0.02 0.18 -0.04 4.32 4.20 1taqA1 THR 164 HG23 -0.61 0.14 -0.11 -0.04 1.22 0.60 1taqA1 PRO 165 HA -0.08 0.14 0.43 -0.51 4.44 4.41 1taqA1 PRO 165 HB2 -0.01 -0.01 0.00 -0.04 2.28 2.22 1taqA1 PRO 165 HB3 -0.07 0.07 0.05 -0.04 2.02 2.02 1taqA1 PRO 165 HG2 0.02 -0.02 -0.21 -0.04 2.03 1.77 1taqA1 PRO 165 HG3 -0.03 0.13 -0.23 -0.04 2.03 1.86 1taqA1 PRO 165 HD2 -0.07 0.05 0.16 -0.04 3.68 3.78 1taqA1 PRO 165 HD3 -0.07 0.32 0.23 -0.04 3.65 4.08 1taqA1 ALA 166 H 0.03 0.16 -0.18 -0.55 8.40 7.86 1taqA1 ALA 166 HA 0.19 0.11 0.48 -0.75 4.34 4.37 1taqA1 ALA 166 HB3 0.08 0.03 0.08 -0.04 1.41 1.55 1taqA1 TRP 167 H 0.19 0.06 -0.15 -0.55 7.97 7.52 1taqA1 TRP 167 HA -0.06 0.03 0.33 -0.75 4.62 4.17 1taqA1 TRP 167 HB2 -0.12 0.03 0.21 -0.04 3.23 3.30 1taqA1 TRP 167 HB3 -0.17 0.23 0.27 -0.04 3.23 3.52 1taqA1 TRP 167 HD1 -0.07 0.08 -0.36 -0.04 7.22 6.83 1taqA1 TRP 167 HE1 0.15 0.03 -0.07 -0.04 10.20 10.27 1taqA1 TRP 167 HE3 -0.09 0.01 0.03 -0.04 7.59 7.50 1taqA1 TRP 167 HZ2 -0.37 0.02 -0.03 -0.04 7.44 7.03 1taqA1 TRP 167 HZ3 -0.03 0.01 -0.00 -0.04 7.13 7.07 1taqA1 TRP 167 HH2 -0.26 0.02 -0.02 -0.04 7.19 6.88 1taqA1 LEU 168 H 0.15 0.23 -0.73 -0.55 8.37 7.47 1taqA1 LEU 168 HA 0.37 0.01 0.43 -0.75 4.35 4.41 1taqA1 LEU 168 HB2 -0.03 0.01 0.16 -0.04 1.64 1.73 1taqA1 LEU 168 HB3 -0.04 0.29 -0.02 -0.04 1.64 1.83 1taqA1 LEU 168 HG -0.31 0.02 -0.18 -0.04 1.64 1.12 1taqA1 LEU 168 HD13 -0.11 -0.04 -0.22 -0.04 0.93 0.52 1taqA1 LEU 168 HD23 -0.31 -0.00 -0.14 -0.04 0.89 0.40 1taqA1 TRP 169 H 0.21 0.41 0.14 -0.55 7.97 8.18 1taqA1 TRP 169 HA 0.02 -0.03 0.37 -0.75 4.62 4.22 1taqA1 TRP 169 HB2 -0.00 0.04 0.23 -0.04 3.23 3.46 1taqA1 TRP 169 HB3 -0.02 -0.03 0.05 -0.04 3.23 3.19 1taqA1 TRP 169 HD1 0.02 -0.16 -0.24 -0.04 7.22 6.80 1taqA1 TRP 169 HE1 0.03 0.07 -0.05 -0.04 10.20 10.21 1taqA1 TRP 169 HE3 0.00 -0.03 -0.01 -0.04 7.59 7.52 1taqA1 TRP 169 HZ2 0.02 -0.00 -0.03 -0.04 7.44 7.39 1taqA1 TRP 169 HZ3 0.01 -0.02 -0.01 -0.04 7.13 7.06 1taqA1 TRP 169 HH2 0.01 -0.02 -0.02 -0.04 7.19 7.13 1taqA1 GLU 170 H 0.08 0.75 -0.02 -0.55 8.60 8.86 1taqA1 GLU 170 HA -0.07 0.10 0.48 -0.75 4.29 4.05 1taqA1 GLU 170 HB2 -0.08 0.03 -0.01 -0.04 2.09 1.99 1taqA1 GLU 170 HB3 -0.19 0.01 -0.08 -0.04 1.99 1.69 1taqA1 GLU 170 HG2 -0.06 -0.03 -0.03 -0.04 2.34 2.18 1taqA1 GLU 170 HG3 -0.09 0.02 0.02 -0.04 2.34 2.25 1taqA1 LYS 171 H -0.36 0.45 -0.13 -0.55 8.42 7.83 1taqA1 LYS 171 HA -0.45 0.17 0.88 -0.75 4.32 4.16 1taqA1 LYS 171 HB2 -1.37 -0.03 0.13 -0.04 1.87 0.56 1taqA1 LYS 171 HB3 -1.43 0.01 0.03 -0.04 1.79 0.36 1taqA1 LYS 171 HG2 -0.67 0.01 0.05 -0.04 1.46 0.81 1taqA1 LYS 171 HG3 -1.34 -0.07 0.03 -0.04 1.46 0.03 1taqA1 LYS 171 HD2 -0.86 0.00 0.04 -0.04 1.69 0.83 1taqA1 LYS 171 HD3 -0.47 0.03 0.14 -0.04 1.68 1.34 1taqA1 LYS 171 HE2 -0.24 -0.03 0.01 -0.04 2.99 2.68 1taqA1 LYS 171 HE3 -0.16 -0.02 0.02 -0.04 2.99 2.79 1taqA1 TYR 172 H -0.04 0.21 -0.06 -0.55 8.29 7.85 1taqA1 TYR 172 HA 0.09 0.16 0.91 -0.75 4.56 4.97 1taqA1 TYR 172 HB2 0.04 0.11 0.14 -0.04 3.06 3.30 1taqA1 TYR 172 HB3 0.08 -0.07 0.04 -0.04 2.98 2.99 1taqA1 TYR 172 HD2 0.16 -0.00 0.01 -0.04 7.15 7.28 1taqA1 TYR 172 HE2 0.42 -0.05 -0.07 -0.04 6.85 7.11 1taqA1 GLY 173 H 0.20 0.21 0.21 -0.55 8.43 8.51 1taqA1 GLY 173 HA2 0.38 0.18 0.47 -0.51 4.01 4.53 1taqA1 GLY 173 HA3 0.23 0.06 0.64 -0.51 4.01 4.43 1taqA1 LEU 174 H 0.20 0.16 -0.34 -0.55 8.37 7.85 1taqA1 LEU 174 HA 0.03 0.26 0.96 -0.75 4.35 4.84 1taqA1 LEU 174 HB2 0.04 -0.03 -0.15 -0.04 1.64 1.45 1taqA1 LEU 174 HB3 0.01 -0.04 -0.02 -0.04 1.64 1.55 1taqA1 LEU 174 HG -0.07 0.02 -0.03 -0.04 1.64 1.52 1taqA1 LEU 174 HD13 0.12 0.03 0.05 -0.04 0.93 1.08 1taqA1 LEU 174 HD23 0.19 -0.03 -0.28 -0.04 0.89 0.73 1taqA1 ARG 175 H -0.12 0.25 0.11 -0.55 8.46 8.15 1taqA1 ARG 175 HA -0.34 0.24 0.82 -0.75 4.34 4.31 1taqA1 ARG 175 HB2 -0.23 -0.11 -0.00 -0.04 1.90 1.52 1taqA1 ARG 175 HB3 -0.42 0.05 0.07 -0.04 1.80 1.46 1taqA1 ARG 175 HG2 -1.41 0.10 -0.26 -0.04 1.67 0.06 1taqA1 ARG 175 HG3 -0.45 -0.04 -0.14 -0.04 1.67 1.00 1taqA1 ARG 175 HD2 -0.26 0.04 -0.03 -0.04 3.22 2.93 1taqA1 ARG 175 HD3 -0.23 -0.04 -0.01 -0.04 3.22 2.90 1taqA1 PRO 176 HA 0.02 0.00 0.35 -0.51 4.44 4.31 1taqA1 PRO 176 HB2 -0.05 -0.08 0.14 -0.04 2.28 2.25 1taqA1 PRO 176 HB3 -0.04 0.33 0.09 -0.04 2.02 2.36 1taqA1 PRO 176 HG2 -0.09 0.11 -0.05 -0.04 2.03 1.96 1taqA1 PRO 176 HG3 -0.13 0.01 0.04 -0.04 2.03 1.90 1taqA1 PRO 176 HD2 -0.16 0.07 0.20 -0.04 3.68 3.74 1taqA1 PRO 176 HD3 -0.18 0.14 0.23 -0.04 3.65 3.81 1taqA1 ASP 177 H -0.05 0.09 -0.19 -0.55 8.40 7.69 1taqA1 ASP 177 HA 0.01 0.10 0.38 -0.75 4.63 4.36 1taqA1 ASP 177 HB2 -0.01 0.01 0.10 -0.04 2.71 2.77 1taqA1 ASP 177 HB3 -0.03 0.02 0.11 -0.04 2.70 2.75 1taqA1 GLN 178 H 0.01 0.48 -0.37 -0.55 8.47 8.04 1taqA1 GLN 178 HA 0.04 0.13 0.96 -0.75 4.36 4.73 1taqA1 GLN 178 HB2 0.04 -0.02 0.25 -0.04 2.15 2.38 1taqA1 GLN 178 HB3 0.03 0.06 0.05 -0.04 2.02 2.11 1taqA1 GLN 178 HG2 0.02 0.05 0.03 -0.04 2.40 2.46 1taqA1 GLN 178 HG3 -0.02 -0.10 -0.04 -0.04 2.39 2.19 1taqA1 GLN 178 HE21 -0.06 -0.04 0.13 -0.04 6.97 6.96 1taqA1 GLN 178 HE22 -0.04 0.05 0.05 -0.04 7.69 7.71 1taqA1 TRP 179 H 0.18 0.43 0.00 -0.55 7.97 8.03 1taqA1 TRP 179 HA -0.12 0.22 1.01 -0.75 4.62 4.97 1taqA1 TRP 179 HB2 -0.14 0.05 -0.26 -0.04 3.23 2.85 1taqA1 TRP 179 HB3 -0.06 0.07 -0.08 -0.04 3.23 3.13 1taqA1 TRP 179 HD1 -0.59 0.01 -0.14 -0.04 7.22 6.47 1taqA1 TRP 179 HE1 -0.78 0.03 -0.08 -0.04 10.20 9.33 1taqA1 TRP 179 HE3 -0.00 0.02 -0.30 -0.04 7.59 7.27 1taqA1 TRP 179 HZ2 -0.10 0.00 -0.07 -0.04 7.44 7.23 1taqA1 TRP 179 HZ3 -0.10 -0.03 -0.27 -0.04 7.13 6.69 1taqA1 TRP 179 HH2 -0.30 -0.22 -0.22 -0.04 7.19 6.41 1taqA1 ALA 180 H 0.11 0.22 0.09 -0.55 8.40 8.28 1taqA1 ALA 180 HA -0.13 0.14 0.55 -0.75 4.34 4.14 1taqA1 ALA 180 HB3 0.06 0.03 -0.05 -0.04 1.41 1.41 1taqA1 ASP 181 H -0.04 0.00 -0.41 -0.55 8.40 7.41 1taqA1 ASP 181 HA -0.07 0.16 0.53 -0.75 4.63 4.49 1taqA1 ASP 181 HB2 -0.01 0.06 -0.04 -0.04 2.71 2.67 1taqA1 ASP 181 HB3 -0.03 0.09 -0.03 -0.04 2.70 2.69 1taqA1 TYR 182 H -0.03 0.14 -0.26 -0.55 8.29 7.58 1taqA1 TYR 182 HA -0.25 0.15 0.32 -0.75 4.56 4.03 1taqA1 TYR 182 HB2 -0.12 0.09 0.08 -0.04 3.06 3.07 1taqA1 TYR 182 HB3 -0.33 -0.02 0.17 -0.04 2.98 2.75 1taqA1 TYR 182 HD2 -0.53 0.05 -0.22 -0.04 7.15 6.41 1taqA1 TYR 182 HE2 -0.09 0.01 -0.06 -0.04 6.85 6.67 1taqA1 ARG 183 H -0.33 0.13 -0.76 -0.55 8.46 6.94 1taqA1 ARG 183 HA -0.45 0.05 0.36 -0.75 4.34 3.55 1taqA1 ARG 183 HB2 -0.54 0.06 0.01 -0.04 1.90 1.39 1taqA1 ARG 183 HB3 -0.37 -0.06 -0.07 -0.04 1.80 1.26 1taqA1 ARG 183 HG2 -1.01 0.02 -0.09 -0.04 1.67 0.54 1taqA1 ARG 183 HG3 -1.87 0.01 -0.06 -0.04 1.67 -0.29 1taqA1 ARG 183 HD2 -0.31 -0.03 -0.00 -0.04 3.22 2.84 1taqA1 ARG 183 HD3 -0.26 -0.02 -0.05 -0.04 3.22 2.84 1taqA1 ALA 184 H -0.23 0.40 -0.60 -0.55 8.40 7.43 1taqA1 ALA 184 HA -0.17 0.08 0.50 -0.75 4.34 4.00 1taqA1 ALA 184 HB3 -0.12 0.03 0.08 -0.04 1.41 1.35 1taqA1 LEU 185 H -0.35 0.26 -0.43 -0.55 8.37 7.31 1taqA1 LEU 185 HA -0.32 0.19 0.75 -0.75 4.35 4.23 1taqA1 LEU 185 HB2 -0.75 -0.03 0.16 -0.04 1.64 0.98 1taqA1 LEU 185 HB3 -0.50 -0.02 -0.01 -0.04 1.64 1.07 1taqA1 LEU 185 HG -0.60 0.16 0.03 -0.04 1.64 1.19 1taqA1 LEU 185 HD13 -1.43 -0.03 0.12 -0.04 0.93 -0.45 1taqA1 LEU 185 HD23 -0.75 0.01 -0.03 -0.04 0.89 0.07 1taqA1 THR 186 H -0.26 0.32 -0.60 -0.55 8.28 7.20 1taqA1 THR 186 HA -0.19 0.04 0.48 -0.75 4.39 3.96 1taqA1 THR 186 HB -0.28 0.07 0.03 -0.04 4.32 4.10 1taqA1 THR 186 HG23 -0.16 -0.15 0.10 -0.04 1.22 0.98 1taqA1 GLY 187 H -0.13 -0.09 0.12 -0.55 8.43 7.79 1taqA1 GLY 187 HA2 -0.12 0.26 0.50 -0.51 4.01 4.14 1taqA1 GLY 187 HA3 -0.10 0.07 0.22 -0.51 4.01 3.69 1taqA1 ASP 188 H -0.08 0.02 0.11 -0.55 8.40 7.90 1taqA1 ASP 188 HA -0.02 0.02 0.40 -0.75 4.63 4.27 1taqA1 ASP 188 HB2 -0.05 -0.00 0.09 -0.04 2.71 2.71 1taqA1 ASP 188 HB3 -0.06 0.05 -0.11 -0.04 2.70 2.54 1taqA1 GLU 189 H -0.04 0.27 0.29 -0.55 8.60 8.57 1taqA1 GLU 189 HA -0.02 0.10 0.63 -0.75 4.29 4.24 1taqA1 GLU 189 HB2 -0.00 -0.09 -0.04 -0.04 2.09 1.91 1taqA1 GLU 189 HB3 -0.01 0.00 -0.01 -0.04 1.99 1.94 1taqA1 GLU 189 HG2 0.01 -0.02 0.01 -0.04 2.34 2.30 1taqA1 GLU 189 HG3 -0.00 0.05 0.13 -0.04 2.34 2.48 1taqA1 SER 190 H -0.03 0.18 0.06 -0.55 8.46 8.12 1taqA1 SER 190 HA -0.04 0.02 0.36 -0.75 4.49 4.09 1taqA1 SER 190 HB2 -0.04 0.23 -0.08 -0.04 3.95 4.02 1taqA1 SER 190 HB3 -0.04 -0.01 0.04 -0.04 3.93 3.89 1taqA1 ASP 191 H -0.05 0.33 -0.97 -0.55 8.40 7.16 1taqA1 ASP 191 HA -0.07 0.03 0.41 -0.75 4.63 4.25 1taqA1 ASP 191 HB2 -0.07 -0.06 -0.04 -0.04 2.71 2.49 1taqA1 ASP 191 HB3 -0.09 -0.01 -0.05 -0.04 2.70 2.51 1taqA1 ASN 192 H -0.08 0.51 0.14 -0.55 8.53 8.56 1taqA1 ASN 192 HA -0.09 -0.13 0.17 -0.75 4.76 3.96 1taqA1 ASN 192 HB2 -0.08 0.09 0.15 -0.04 2.88 3.00 1taqA1 ASN 192 HB3 -0.11 0.01 0.05 -0.04 2.79 2.69 1taqA1 ASN 192 HD21 -0.05 -0.03 -0.02 -0.04 7.03 6.89 1taqA1 ASN 192 HD22 -0.07 0.01 -0.02 -0.04 7.74 7.61 1taqA1 LEU 193 H -0.12 0.02 -0.08 -0.55 8.37 7.65 1taqA1 LEU 193 HA -0.25 0.09 0.44 -0.75 4.35 3.87 1taqA1 LEU 193 HB2 -0.17 0.13 -0.23 -0.04 1.64 1.32 1taqA1 LEU 193 HB3 -0.16 -0.03 0.09 -0.04 1.64 1.50 1taqA1 LEU 193 HG -0.21 -0.07 -0.05 -0.04 1.64 1.26 1taqA1 LEU 193 HD13 -0.22 -0.04 0.08 -0.04 0.93 0.71 1taqA1 LEU 193 HD23 -0.20 0.00 -0.03 -0.04 0.89 0.62 1taqA1 PRO 194 HA -0.05 0.07 0.67 -0.51 4.44 4.62 1taqA1 PRO 194 HB2 -0.01 0.03 0.22 -0.04 2.28 2.47 1taqA1 PRO 194 HB3 -0.03 0.00 0.08 -0.04 2.02 2.03 1taqA1 PRO 194 HG2 -0.06 0.04 0.03 -0.04 2.03 2.01 1taqA1 PRO 194 HG3 -0.07 -0.02 -0.04 -0.04 2.03 1.86 1taqA1 PRO 194 HD2 -0.20 0.15 0.07 -0.04 3.68 3.66 1taqA1 PRO 194 HD3 -0.15 0.09 -0.08 -0.04 3.65 3.46 1taqA1 GLY 195 H -0.03 0.26 -0.13 -0.55 8.43 7.99 1taqA1 GLY 195 HA2 0.05 -0.14 0.32 -0.51 4.01 3.73 1taqA1 GLY 195 HA3 0.15 0.21 0.60 -0.51 4.01 4.46 1taqA1 VAL 196 H 0.04 -0.09 0.12 -0.55 8.24 7.76 1taqA1 VAL 196 HA 0.08 0.31 0.84 -0.75 4.13 4.61 1taqA1 VAL 196 HB 0.09 0.14 -0.12 -0.04 2.12 2.19 1taqA1 VAL 196 HG13 -0.03 0.00 -0.26 -0.04 0.97 0.64 1taqA1 VAL 196 HG23 0.04 -0.04 -0.22 -0.04 0.95 0.69 1taqA1 LYS 197 H 0.04 -0.05 0.09 -0.55 8.42 7.95 1taqA1 LYS 197 HA 0.03 0.01 0.39 -0.75 4.32 3.99 1taqA1 LYS 197 HB2 0.04 0.01 -0.12 -0.04 1.87 1.76 1taqA1 LYS 197 HB3 0.06 0.23 0.38 -0.04 1.79 2.42 1taqA1 LYS 197 HG2 0.02 -0.10 -0.14 -0.04 1.46 1.19 1taqA1 LYS 197 HG3 0.02 0.02 -0.03 -0.04 1.46 1.43 1taqA1 LYS 197 HD2 0.01 0.06 -0.02 -0.04 1.69 1.70 1taqA1 LYS 197 HD3 0.02 -0.07 -0.03 -0.04 1.68 1.56 1taqA1 LYS 197 HE2 0.00 0.04 -0.03 -0.04 2.99 2.96 1taqA1 LYS 197 HE3 -0.00 -0.00 -0.02 -0.04 2.99 2.93 1taqA1 GLY 198 H 0.05 0.38 0.02 -0.55 8.43 8.33 1taqA1 GLY 198 HA2 0.04 -0.08 0.34 -0.51 4.01 3.81 1taqA1 GLY 198 HA3 0.02 0.02 0.54 -0.51 4.01 4.08 1taqA1 ILE 199 H -0.01 0.10 -0.03 -0.55 8.25 7.76 1taqA1 ILE 199 HA -0.04 -0.02 0.39 -0.75 4.18 3.76 1taqA1 ILE 199 HB -0.10 0.33 0.14 -0.04 1.89 2.22 1taqA1 ILE 199 HG12 -0.04 -0.14 -0.22 -0.04 1.49 1.05 1taqA1 ILE 199 HG13 -0.09 0.36 -0.00 -0.04 1.21 1.43 1taqA1 ILE 199 HG23 -0.13 0.00 -0.06 -0.04 0.93 0.71 1taqA1 ILE 199 HD13 -0.05 -0.03 0.03 -0.04 0.88 0.79 1taqA1 GLY 200 H -0.03 0.14 0.12 -0.55 8.43 8.12 1taqA1 GLY 200 HA2 -0.02 0.06 0.33 -0.51 4.01 3.86 1taqA1 GLY 200 HA3 -0.04 0.13 0.30 -0.51 4.01 3.90 1taqA1 GLU 201 H -0.01 -0.08 -0.57 -0.55 8.60 7.40 1taqA1 GLU 201 HA 0.00 -0.04 0.20 -0.75 4.29 3.70 1taqA1 GLU 201 HB2 0.00 -0.02 0.10 -0.04 2.09 2.13 1taqA1 GLU 201 HB3 -0.00 -0.06 -0.28 -0.04 1.99 1.61 1taqA1 GLU 201 HG2 -0.00 0.41 0.24 -0.04 2.34 2.95 1taqA1 GLU 201 HG3 0.01 -0.05 -0.28 -0.04 2.34 1.98 1taqA1 LYS 202 H -0.02 0.59 -0.59 -0.55 8.42 7.86 1taqA1 LYS 202 HA 0.03 0.05 0.14 -0.75 4.32 3.78 1taqA1 LYS 202 HB2 -0.04 0.16 -0.11 -0.04 1.87 1.83 1taqA1 LYS 202 HB3 0.01 -0.10 -0.28 -0.04 1.79 1.39 1taqA1 LYS 202 HG2 -0.05 0.14 -0.07 -0.04 1.46 1.44 1taqA1 LYS 202 HG3 -0.06 -0.02 -0.08 -0.04 1.46 1.25 1taqA1 LYS 202 HD2 0.00 0.07 -0.11 -0.04 1.69 1.61 1taqA1 LYS 202 HD3 -0.00 -0.10 -0.22 -0.04 1.68 1.31 1taqA1 LYS 202 HE2 -0.02 0.09 0.06 -0.04 2.99 3.08 1taqA1 LYS 202 HE3 -0.02 -0.04 -0.00 -0.04 2.99 2.88 1taqA1 THR 203 H 0.03 -0.02 -0.69 -0.55 8.28 7.05 1taqA1 THR 203 HA 0.05 0.01 0.18 -0.75 4.39 3.88 1taqA1 THR 203 HB 0.04 0.04 0.04 -0.04 4.32 4.40 1taqA1 THR 203 HG23 0.03 0.08 -0.03 -0.04 1.22 1.27 1taqA1 ALA 204 H 0.11 -0.29 0.54 -0.55 8.40 8.22 1taqA1 ALA 204 HA 0.65 0.13 0.50 -0.75 4.34 4.86 1taqA1 ALA 204 HB3 0.02 0.07 0.01 -0.04 1.41 1.47 1taqA1 ARG 205 H 0.06 -0.10 0.32 -0.55 8.46 8.19 1taqA1 ARG 205 HA -0.04 0.20 0.59 -0.75 4.34 4.33 1taqA1 ARG 205 HB2 0.05 -0.04 0.16 -0.04 1.90 2.02 1taqA1 ARG 205 HB3 0.03 0.08 0.05 -0.04 1.80 1.92 1taqA1 ARG 205 HG2 -0.04 0.06 0.05 -0.04 1.67 1.69 1taqA1 ARG 205 HG3 0.01 -0.10 0.14 -0.04 1.67 1.67 1taqA1 ARG 205 HD2 0.03 0.03 0.03 -0.04 3.22 3.27 1taqA1 ARG 205 HD3 0.01 0.02 0.02 -0.04 3.22 3.24 1taqA1 LYS 206 H 0.08 0.11 0.11 -0.55 8.42 8.17 1taqA1 LYS 206 HA 0.09 0.10 0.41 -0.75 4.32 4.16 1taqA1 LYS 206 HB2 0.05 -0.04 0.07 -0.04 1.87 1.90 1taqA1 LYS 206 HB3 0.04 0.00 -0.07 -0.04 1.79 1.72 1taqA1 LYS 206 HG2 0.04 0.03 0.06 -0.04 1.46 1.56 1taqA1 LYS 206 HG3 0.05 -0.02 0.03 -0.04 1.46 1.48 1taqA1 LYS 206 HD2 0.02 0.00 -0.11 -0.04 1.69 1.57 1taqA1 LYS 206 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 1taqA1 LYS 206 HE2 0.03 0.07 -0.04 -0.04 2.99 3.01 1taqA1 LYS 206 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 1taqA1 LEU 207 H 0.18 -0.02 -0.90 -0.55 8.37 7.08 1taqA1 LEU 207 HA 0.06 0.10 0.70 -0.75 4.35 4.46 1taqA1 LEU 207 HB2 0.17 0.03 -0.18 -0.04 1.64 1.62 1taqA1 LEU 207 HB3 0.78 0.10 -0.05 -0.04 1.64 2.43 1taqA1 LEU 207 HG -0.22 -0.02 -0.06 -0.04 1.64 1.30 1taqA1 LEU 207 HD13 -0.70 0.02 -0.09 -0.04 0.93 0.11 1taqA1 LEU 207 HD23 -1.01 -0.02 -0.19 -0.04 0.89 -0.36 1taqA1 LEU 208 H 0.51 0.67 0.10 -0.55 8.37 9.10 1taqA1 LEU 208 HA -0.06 0.08 0.46 -0.75 4.35 4.08 1taqA1 LEU 208 HB2 0.13 0.15 0.00 -0.04 1.64 1.88 1taqA1 LEU 208 HB3 -0.06 -0.05 -0.00 -0.04 1.64 1.48 1taqA1 LEU 208 HG -0.16 0.06 0.36 -0.04 1.64 1.85 1taqA1 LEU 208 HD13 -0.36 0.00 0.06 -0.04 0.93 0.60 1taqA1 LEU 208 HD23 -0.95 -0.06 0.01 -0.04 0.89 -0.14 1taqA1 GLU 209 H 0.29 0.30 0.31 -0.55 8.60 8.95 1taqA1 GLU 209 HA 0.28 0.04 0.64 -0.75 4.29 4.49 1taqA1 GLU 209 HB2 0.20 -0.04 0.06 -0.04 2.09 2.27 1taqA1 GLU 209 HB3 0.26 0.03 0.10 -0.04 1.99 2.34 1taqA1 GLU 209 HG2 0.18 0.08 0.18 -0.04 2.34 2.74 1taqA1 GLU 209 HG3 0.18 -0.02 0.07 -0.04 2.34 2.53 1taqA1 GLU 210 H 0.24 0.79 0.03 -0.55 8.60 9.10 1taqA1 GLU 210 HA 0.10 0.05 0.42 -0.75 4.29 4.11 1taqA1 GLU 210 HB2 -0.13 -0.02 0.02 -0.04 2.09 1.92 1taqA1 GLU 210 HB3 -0.05 -0.04 0.17 -0.04 1.99 2.02 1taqA1 GLU 210 HG2 0.09 0.16 0.18 -0.04 2.34 2.73 1taqA1 GLU 210 HG3 0.00 -0.01 0.12 -0.04 2.34 2.41 1taqA1 TRP 211 H 0.55 0.24 -0.77 -0.55 7.97 7.45 1taqA1 TRP 211 HA 0.01 0.21 0.80 -0.75 4.62 4.89 1taqA1 TRP 211 HB2 0.00 0.04 -0.13 -0.04 3.23 3.10 1taqA1 TRP 211 HB3 -0.00 0.05 0.09 -0.04 3.23 3.33 1taqA1 TRP 211 HD1 0.01 0.00 -0.70 -0.04 7.22 6.49 1taqA1 TRP 211 HE1 -0.03 -0.20 -0.08 -0.04 10.20 9.84 1taqA1 TRP 211 HE3 -0.01 0.07 0.08 -0.04 7.59 7.69 1taqA1 TRP 211 HZ2 -0.04 -0.10 0.08 -0.04 7.44 7.34 1taqA1 TRP 211 HZ3 -0.01 0.18 0.06 -0.04 7.13 7.32 1taqA1 TRP 211 HH2 -0.02 0.00 -0.07 -0.04 7.19 7.06 1taqA1 GLY 212 H 0.25 0.41 -0.03 -0.55 8.43 8.51 1taqA1 GLY 212 HA2 0.12 0.04 0.43 -0.51 4.01 4.09 1taqA1 GLY 212 HA3 0.13 0.04 0.33 -0.51 4.01 4.00 1taqA1 SER 213 H 0.12 0.12 -0.54 -0.55 8.46 7.61 1taqA1 SER 213 HA 0.07 0.02 0.66 -0.75 4.49 4.48 1taqA1 SER 213 HB2 0.05 0.06 0.06 -0.04 3.95 4.09 1taqA1 SER 213 HB3 0.05 -0.04 0.00 -0.04 3.93 3.89 1taqA1 LEU 214 H 0.05 0.10 -0.01 -0.55 8.37 7.98 1taqA1 LEU 214 HA 0.04 -0.09 0.36 -0.75 4.35 3.91 1taqA1 LEU 214 HB2 0.04 -0.11 -0.21 -0.04 1.64 1.32 1taqA1 LEU 214 HB3 0.04 0.17 0.28 -0.04 1.64 2.09 1taqA1 LEU 214 HG 0.03 0.07 0.01 -0.04 1.64 1.72 1taqA1 LEU 214 HD13 0.03 -0.03 -0.01 -0.04 0.93 0.89 1taqA1 LEU 214 HD23 0.02 -0.03 -0.03 -0.04 0.89 0.81 1taqA1 GLU 215 H 0.05 -0.01 0.07 -0.55 8.60 8.17 1taqA1 GLU 215 HA 0.08 0.15 0.29 -0.75 4.29 4.05 1taqA1 GLU 215 HB2 0.04 0.01 0.14 -0.04 2.09 2.24 1taqA1 GLU 215 HB3 0.04 -0.18 -0.54 -0.04 1.99 1.26 1taqA1 GLU 215 HG2 0.04 -0.09 0.06 -0.04 2.34 2.31 1taqA1 GLU 215 HG3 0.03 0.09 0.12 -0.04 2.34 2.54 1taqA1 ALA 216 H 0.05 0.74 -0.16 -0.55 8.40 8.48 1taqA1 ALA 216 HA 0.05 -0.09 -0.14 -0.75 4.34 3.40 1taqA1 ALA 216 HB3 0.09 0.05 0.03 -0.04 1.41 1.54 1taqA1 LEU 217 H 0.06 0.44 0.16 -0.55 8.37 8.50 1taqA1 LEU 217 HA 0.02 0.00 0.30 -0.75 4.35 3.92 1taqA1 LEU 217 HB2 -0.01 -0.00 0.05 -0.04 1.64 1.64 1taqA1 LEU 217 HB3 0.00 0.13 0.14 -0.04 1.64 1.88 1taqA1 LEU 217 HG -0.04 -0.07 -0.28 -0.04 1.64 1.21 1taqA1 LEU 217 HD13 -0.13 0.02 -0.06 -0.04 0.93 0.71 1taqA1 LEU 217 HD23 -0.08 -0.03 -0.08 -0.04 0.89 0.67 1taqA1 LEU 218 H 0.01 0.25 -0.41 -0.55 8.37 7.68 1taqA1 LEU 218 HA 0.01 0.15 0.80 -0.75 4.35 4.56 1taqA1 LEU 218 HB2 0.00 0.03 0.10 -0.04 1.64 1.73 1taqA1 LEU 218 HB3 0.01 -0.03 0.08 -0.04 1.64 1.66 1taqA1 LEU 218 HG -0.03 0.02 -0.15 -0.04 1.64 1.44 1taqA1 LEU 218 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 1taqA1 LEU 218 HD23 0.01 0.03 -0.13 -0.04 0.89 0.76 1taqA1 LYS 219 H 0.02 0.29 -0.42 -0.55 8.42 7.76 1taqA1 LYS 219 HA 0.02 -0.09 0.31 -0.75 4.32 3.81 1taqA1 LYS 219 HB2 0.02 0.32 0.52 -0.04 1.87 2.69 1taqA1 LYS 219 HB3 0.02 -0.06 0.03 -0.04 1.79 1.74 1taqA1 LYS 219 HG2 0.02 -0.05 -0.05 -0.04 1.46 1.34 1taqA1 LYS 219 HG3 0.02 -0.05 -0.45 -0.04 1.46 0.94 1taqA1 LYS 219 HD2 0.02 -0.03 -0.01 -0.04 1.69 1.63 1taqA1 LYS 219 HD3 0.02 -0.04 -0.04 -0.04 1.68 1.58 1taqA1 LYS 219 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 1taqA1 LYS 219 HE3 0.02 -0.03 -0.08 -0.04 2.99 2.86 1taqA1 ASN 220 H 0.02 0.06 0.07 -0.55 8.53 8.13 1taqA1 ASN 220 HA 0.02 -0.02 0.38 -0.75 4.76 4.39 1taqA1 ASN 220 HB2 0.02 -0.01 0.05 -0.04 2.88 2.90 1taqA1 ASN 220 HB3 0.02 0.04 -0.09 -0.04 2.79 2.72 1taqA1 ASN 220 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.98 1taqA1 ASN 220 HD22 0.02 0.01 0.01 -0.04 7.74 7.73 1taqA1 LEU 221 H 0.02 0.05 -0.07 -0.55 8.37 7.82 1taqA1 LEU 221 HA 0.02 -0.06 0.31 -0.75 4.35 3.87 1taqA1 LEU 221 HB2 0.04 0.22 0.37 -0.04 1.64 2.23 1taqA1 LEU 221 HB3 0.05 -0.10 -0.13 -0.04 1.64 1.42 1taqA1 LEU 221 HG 0.05 0.23 -0.12 -0.04 1.64 1.76 1taqA1 LEU 221 HD13 0.04 0.00 -0.40 -0.04 0.93 0.54 1taqA1 LEU 221 HD23 0.02 -0.05 -0.09 -0.04 0.89 0.73 1taqA1 ASP 222 H 0.02 0.08 0.02 -0.55 8.40 7.97 1taqA1 ASP 222 HA 0.02 0.21 0.76 -0.75 4.63 4.86 1taqA1 ASP 222 HB2 0.01 -0.03 0.09 -0.04 2.71 2.74 1taqA1 ASP 222 HB3 0.01 -0.18 0.25 -0.04 2.70 2.73 1taqA1 ARG 223 H 0.01 0.04 0.11 -0.55 8.46 8.07 1taqA1 ARG 223 HA 0.01 0.05 0.38 -0.75 4.34 4.02 1taqA1 ARG 223 HB2 0.00 -0.02 0.13 -0.04 1.90 1.97 1taqA1 ARG 223 HB3 -0.00 0.05 -0.02 -0.04 1.80 1.79 1taqA1 ARG 223 HG2 0.00 0.03 0.02 -0.04 1.67 1.69 1taqA1 ARG 223 HG3 0.00 -0.05 0.08 -0.04 1.67 1.66 1taqA1 ARG 223 HD2 0.00 0.00 0.01 -0.04 3.22 3.19 1taqA1 ARG 223 HD3 0.00 -0.01 0.02 -0.04 3.22 3.19 1taqA1 LEU 224 H -0.00 0.26 0.23 -0.55 8.37 8.32 1taqA1 LEU 224 HA -0.02 0.08 0.47 -0.75 4.35 4.12 1taqA1 LEU 224 HB2 0.01 0.13 -0.40 -0.04 1.64 1.33 1taqA1 LEU 224 HB3 -0.00 0.01 -0.09 -0.04 1.64 1.51 1taqA1 LEU 224 HG -0.06 -0.29 0.12 -0.04 1.64 1.37 1taqA1 LEU 224 HD13 -0.02 0.01 0.08 -0.04 0.93 0.96 1taqA1 LEU 224 HD23 -0.01 0.04 -0.08 -0.04 0.89 0.80 1taqA1 LYS 225 H -0.05 0.16 0.12 -0.55 8.42 8.09 1taqA1 LYS 225 HA -0.04 0.09 0.44 -0.75 4.32 4.07 1taqA1 LYS 225 HB2 -0.11 0.02 0.14 -0.04 1.87 1.89 1taqA1 LYS 225 HB3 -0.08 0.06 0.14 -0.04 1.79 1.87 1taqA1 LYS 225 HG2 -0.05 -0.04 0.06 -0.04 1.46 1.39 1taqA1 LYS 225 HG3 -0.08 0.05 0.07 -0.04 1.46 1.46 1taqA1 LYS 225 HD2 -0.04 0.00 0.08 -0.04 1.69 1.69 1taqA1 LYS 225 HD3 -0.04 0.01 0.03 -0.04 1.68 1.64 1taqA1 LYS 225 HE2 -0.06 0.02 0.03 -0.04 2.99 2.94 1taqA1 LYS 225 HE3 -0.07 0.03 0.07 -0.04 2.99 2.98 1taqA1 PRO 226 HA -0.01 0.03 0.48 -0.51 4.44 4.43 1taqA1 PRO 226 HB2 -0.02 -0.01 0.01 -0.04 2.28 2.21 1taqA1 PRO 226 HB3 -0.01 0.05 0.12 -0.04 2.02 2.13 1taqA1 PRO 226 HG2 -0.02 0.06 0.10 -0.04 2.03 2.12 1taqA1 PRO 226 HG3 -0.02 0.09 0.11 -0.04 2.03 2.17 1taqA1 PRO 226 HD2 -0.04 0.09 0.22 -0.04 3.68 3.91 1taqA1 PRO 226 HD3 -0.03 0.17 0.23 -0.04 3.65 3.97 1taqA1 ALA 227 H 0.01 0.15 0.10 -0.55 8.40 8.12 1taqA1 ALA 227 HA 0.07 0.07 0.35 -0.75 4.34 4.07 1taqA1 ALA 227 HB3 0.02 0.09 0.04 -0.04 1.41 1.52 1taqA1 ILE 228 H -0.13 0.42 0.33 -0.55 8.25 8.31 1taqA1 ILE 228 HA -0.72 0.08 0.30 -0.75 4.18 3.08 1taqA1 ILE 228 HB -0.19 -0.05 -0.02 -0.04 1.89 1.58 1taqA1 ILE 228 HG12 -0.89 0.04 0.04 -0.04 1.49 0.64 1taqA1 ILE 228 HG13 -0.31 -0.00 0.11 -0.04 1.21 0.97 1taqA1 ILE 228 HG23 -0.36 0.01 -0.12 -0.04 0.93 0.42 1taqA1 ILE 228 HD13 -0.32 -0.01 0.01 -0.04 0.88 0.52 1taqA1 ARG 229 H -0.00 0.38 -0.43 -0.55 8.46 7.86 1taqA1 ARG 229 HA 0.12 0.23 0.86 -0.75 4.34 4.80 1taqA1 ARG 229 HB2 0.02 -0.07 -0.15 -0.04 1.90 1.65 1taqA1 ARG 229 HB3 0.01 0.02 -0.11 -0.04 1.80 1.68 1taqA1 ARG 229 HG2 0.05 0.05 -0.04 -0.04 1.67 1.69 1taqA1 ARG 229 HG3 0.02 0.15 -0.05 -0.04 1.67 1.76 1taqA1 ARG 229 HD2 0.03 -0.04 -0.76 -0.04 3.22 2.41 1taqA1 ARG 229 HD3 0.03 -0.02 -0.13 -0.04 3.22 3.06 1taqA1 GLU 230 H 0.02 0.23 -0.05 -0.55 8.60 8.25 1taqA1 GLU 230 HA 0.02 0.07 0.32 -0.75 4.29 3.95 1taqA1 GLU 230 HB2 0.01 0.09 0.13 -0.04 2.09 2.27 1taqA1 GLU 230 HB3 0.02 -0.47 0.25 -0.04 1.99 1.75 1taqA1 GLU 230 HG2 0.01 0.14 -0.37 -0.04 2.34 2.07 1taqA1 GLU 230 HG3 0.00 0.06 0.00 -0.04 2.34 2.36 1taqA1 LYS 231 H 0.08 0.27 -0.18 -0.55 8.42 8.04 1taqA1 LYS 231 HA 0.04 0.02 0.39 -0.75 4.32 4.02 1taqA1 LYS 231 HB2 0.16 0.24 0.04 -0.04 1.87 2.27 1taqA1 LYS 231 HB3 0.12 0.13 -0.12 -0.04 1.79 1.88 1taqA1 LYS 231 HG2 0.06 -0.27 -0.00 -0.04 1.46 1.20 1taqA1 LYS 231 HG3 0.08 0.07 -0.30 -0.04 1.46 1.27 1taqA1 LYS 231 HD2 0.06 0.14 -0.16 -0.04 1.69 1.69 1taqA1 LYS 231 HD3 0.02 -0.01 -0.11 -0.04 1.68 1.54 1taqA1 LYS 231 HE2 -0.00 0.04 -0.07 -0.04 2.99 2.91 1taqA1 LYS 231 HE3 0.02 -0.10 -0.09 -0.04 2.99 2.78 1taqA1 ILE 232 H 0.14 0.30 -0.40 -0.55 8.25 7.73 1taqA1 ILE 232 HA 0.05 0.06 0.31 -0.75 4.18 3.85 1taqA1 ILE 232 HB 0.11 0.14 0.20 -0.04 1.89 2.29 1taqA1 ILE 232 HG12 0.06 -0.06 0.06 -0.04 1.49 1.51 1taqA1 ILE 232 HG13 0.36 0.20 0.09 -0.04 1.21 1.82 1taqA1 ILE 232 HG23 0.04 -0.03 -0.17 -0.04 0.93 0.72 1taqA1 ILE 232 HD13 0.25 -0.06 0.14 -0.04 0.88 1.17 1taqA1 LEU 233 H 0.05 0.37 -0.09 -0.55 8.37 8.15 1taqA1 LEU 233 HA 0.02 0.08 0.47 -0.75 4.35 4.17 1taqA1 LEU 233 HB2 0.01 -0.06 0.01 -0.04 1.64 1.56 1taqA1 LEU 233 HB3 0.02 -0.00 0.03 -0.04 1.64 1.65 1taqA1 LEU 233 HG 0.03 0.15 -0.02 -0.04 1.64 1.76 1taqA1 LEU 233 HD13 0.01 0.03 -0.02 -0.04 0.93 0.90 1taqA1 LEU 233 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 1taqA1 ALA 234 H 0.02 0.27 -0.47 -0.55 8.40 7.68 1taqA1 ALA 234 HA -0.04 -0.05 0.29 -0.75 4.34 3.78 1taqA1 ALA 234 HB3 -0.04 -0.00 0.13 -0.04 1.41 1.46 1taqA1 HIS 235 H 0.05 0.22 -1.31 -0.55 8.41 6.82 1taqA1 HIS 235 HA -0.03 0.04 0.56 -0.75 4.63 4.45 1taqA1 HIS 235 HB2 -0.03 0.19 -0.20 -0.04 3.26 3.18 1taqA1 HIS 235 HB3 -0.06 -0.11 0.13 -0.04 3.20 3.12 1taqA1 HIS 235 HD2 -0.05 -0.03 0.04 -0.04 6.97 6.89 1taqA1 HIS 235 HE1 -0.03 0.08 -0.03 -0.04 7.75 7.73 1taqA1 MET 236 H 0.02 0.15 0.08 -0.55 8.47 8.17 1taqA1 MET 236 HA -0.01 0.10 0.63 -0.75 4.52 4.48 1taqA1 MET 236 HB2 -0.01 -0.05 0.13 -0.04 2.15 2.17 1taqA1 MET 236 HB3 -0.00 0.11 0.15 -0.04 2.03 2.24 1taqA1 MET 236 HG2 -0.01 0.04 0.07 -0.04 2.63 2.70 1taqA1 MET 236 HG3 -0.01 -0.02 -0.16 -0.04 2.56 2.33 1taqA1 MET 236 HE3 -0.01 -0.01 -0.04 -0.04 2.10 2.00 1taqA1 ASP 237 H -0.06 0.15 0.15 -0.55 8.40 8.09 1taqA1 ASP 237 HA -0.12 0.01 0.41 -0.75 4.63 4.17 1taqA1 ASP 237 HB2 -0.03 0.25 -0.13 -0.04 2.71 2.77 1taqA1 ASP 237 HB3 -0.07 0.04 0.03 -0.04 2.70 2.66 1taqA1 ASP 238 H -0.04 0.52 -1.00 -0.55 8.40 7.33 1taqA1 ASP 238 HA -0.18 0.05 0.29 -0.75 4.63 4.04 1taqA1 ASP 238 HB2 -0.12 0.01 -0.02 -0.04 2.71 2.54 1taqA1 ASP 238 HB3 -0.24 0.15 -0.06 -0.04 2.70 2.51 1taqA1 LEU 239 H -0.14 -0.06 -0.48 -0.55 8.37 7.14 1taqA1 LEU 239 HA -0.20 0.27 0.97 -0.75 4.35 4.64 1taqA1 LEU 239 HB2 -0.09 -0.05 0.08 -0.04 1.64 1.54 1taqA1 LEU 239 HB3 -0.10 -0.03 0.02 -0.04 1.64 1.49 1taqA1 LEU 239 HG -0.07 0.00 -0.00 -0.04 1.64 1.53 1taqA1 LEU 239 HD13 -0.14 0.01 0.03 -0.04 0.93 0.79 1taqA1 LEU 239 HD23 -0.09 0.07 -0.12 -0.04 0.89 0.72 1taqA1 LYS 240 H -0.28 0.08 -0.16 -0.55 8.42 7.50 1taqA1 LYS 240 HA -0.68 0.10 0.47 -0.75 4.32 3.46 1taqA1 LYS 240 HB2 -0.31 0.01 0.19 -0.04 1.87 1.72 1taqA1 LYS 240 HB3 -0.57 0.03 0.25 -0.04 1.79 1.46 1taqA1 LYS 240 HG2 0.01 0.03 0.06 -0.04 1.46 1.52 1taqA1 LYS 240 HG3 -0.09 0.03 -0.02 -0.04 1.46 1.34 1taqA1 LYS 240 HD2 -0.02 0.06 0.05 -0.04 1.69 1.73 1taqA1 LYS 240 HD3 -0.10 -0.18 0.11 -0.04 1.68 1.47 1taqA1 LYS 240 HE2 -0.10 0.04 0.11 -0.04 2.99 3.00 1taqA1 LYS 240 HE3 -0.01 0.04 0.06 -0.04 2.99 3.04 1taqA1 LEU 241 H -0.68 0.10 -0.95 -0.55 8.37 6.29 1taqA1 LEU 241 HA -0.95 0.08 0.58 -0.75 4.35 3.30 1taqA1 LEU 241 HB2 -0.39 0.09 -0.27 -0.04 1.64 1.03 1taqA1 LEU 241 HB3 -0.31 0.17 -0.07 -0.04 1.64 1.39 1taqA1 LEU 241 HG -0.16 -0.00 -0.01 -0.04 1.64 1.43 1taqA1 LEU 241 HD13 -0.12 -0.00 -0.05 -0.04 0.93 0.72 1taqA1 LEU 241 HD23 -0.10 -0.02 0.10 -0.04 0.89 0.83 1taqA1 SER 242 H -0.36 0.18 -0.04 -0.55 8.46 7.70 1taqA1 SER 242 HA -0.13 0.06 0.41 -0.75 4.49 4.07 1taqA1 SER 242 HB2 -0.16 0.01 0.22 -0.04 3.95 3.98 1taqA1 SER 242 HB3 -0.14 0.01 0.22 -0.04 3.93 3.98 1taqA1 TRP 243 H -0.32 0.07 -0.56 -0.55 7.97 6.62 1taqA1 TRP 243 HA -0.05 0.09 0.39 -0.75 4.62 4.29 1taqA1 TRP 243 HB2 -0.03 -0.03 0.02 -0.04 3.23 3.15 1taqA1 TRP 243 HB3 -0.04 0.07 0.04 -0.04 3.23 3.26 1taqA1 TRP 243 HD1 -0.03 0.07 -0.39 -0.04 7.22 6.82 1taqA1 TRP 243 HE1 -0.02 -0.01 -0.06 -0.04 10.20 10.07 1taqA1 TRP 243 HE3 -0.02 -0.00 -0.04 -0.04 7.59 7.48 1taqA1 TRP 243 HZ2 -0.01 -0.03 0.00 -0.04 7.44 7.35 1taqA1 TRP 243 HZ3 -0.01 -0.04 0.01 -0.04 7.13 7.05 1taqA1 TRP 243 HH2 -0.01 -0.04 0.02 -0.04 7.19 7.12 1taqA1 ASP 244 H 0.28 0.43 -0.62 -0.55 8.40 7.94 1taqA1 ASP 244 HA 0.22 -0.00 0.26 -0.75 4.63 4.35 1taqA1 ASP 244 HB2 0.07 0.07 0.00 -0.04 2.71 2.81 1taqA1 ASP 244 HB3 0.09 -0.08 0.05 -0.04 2.70 2.72 1taqA1 LEU 245 H 0.06 0.43 -0.55 -0.55 8.37 7.76 1taqA1 LEU 245 HA -0.00 -0.01 0.43 -0.75 4.35 4.02 1taqA1 LEU 245 HB2 -0.04 0.21 0.07 -0.04 1.64 1.85 1taqA1 LEU 245 HB3 -0.02 0.05 -0.03 -0.04 1.64 1.60 1taqA1 LEU 245 HG -0.18 0.05 -0.11 -0.04 1.64 1.36 1taqA1 LEU 245 HD13 -0.07 -0.05 0.02 -0.04 0.93 0.79 1taqA1 LEU 245 HD23 -0.12 -0.00 -0.09 -0.04 0.89 0.64 1taqA1 ALA 246 H 0.06 0.41 -0.12 -0.55 8.40 8.20 1taqA1 ALA 246 HA 0.02 0.10 0.40 -0.75 4.34 4.11 1taqA1 ALA 246 HB3 0.01 0.03 0.07 -0.04 1.41 1.48 1taqA1 LYS 247 H 0.03 0.30 -1.23 -0.55 8.42 6.96 1taqA1 LYS 247 HA -0.05 0.01 0.42 -0.75 4.32 3.95 1taqA1 LYS 247 HB2 0.03 0.54 0.17 -0.04 1.87 2.58 1taqA1 LYS 247 HB3 0.01 -0.16 0.18 -0.04 1.79 1.78 1taqA1 LYS 247 HG2 -0.02 0.02 -0.10 -0.04 1.46 1.32 1taqA1 LYS 247 HG3 0.09 -0.03 0.09 -0.04 1.46 1.56 1taqA1 LYS 247 HD2 0.01 0.02 -0.01 -0.04 1.69 1.66 1taqA1 LYS 247 HD3 0.02 -0.06 0.04 -0.04 1.68 1.63 1taqA1 LYS 247 HE2 -0.05 -0.02 0.02 -0.04 2.99 2.90 1taqA1 LYS 247 HE3 -0.13 0.04 -0.03 -0.04 2.99 2.83 1taqA1 VAL 248 H -0.02 0.89 -0.92 -0.55 8.24 7.63 1taqA1 VAL 248 HA -0.01 0.05 0.42 -0.75 4.13 3.84 1taqA1 VAL 248 HB 0.02 -0.02 -0.00 -0.04 2.12 2.07 1taqA1 VAL 248 HG13 0.03 -0.00 -0.36 -0.04 0.97 0.60 1taqA1 VAL 248 HG23 0.03 -0.04 -0.11 -0.04 0.95 0.78 1taqA1 ARG 249 H -0.07 0.07 -0.03 -0.55 8.46 7.88 1taqA1 ARG 249 HA -0.05 0.11 0.66 -0.75 4.34 4.32 1taqA1 ARG 249 HB2 -0.08 -0.07 -0.00 -0.04 1.90 1.70 1taqA1 ARG 249 HB3 -0.08 0.09 0.11 -0.04 1.80 1.87 1taqA1 ARG 249 HG2 -0.10 -0.04 0.07 -0.04 1.67 1.56 1taqA1 ARG 249 HG3 -0.15 -0.03 0.04 -0.04 1.67 1.49 1taqA1 ARG 249 HD2 -0.11 0.05 -0.01 -0.04 3.22 3.11 1taqA1 ARG 249 HD3 -0.15 -0.02 -0.02 -0.04 3.22 3.00 1taqA1 THR 250 H -0.03 0.18 0.15 -0.55 8.28 8.03 1taqA1 THR 250 HA -0.03 0.15 0.47 -0.75 4.39 4.23 1taqA1 THR 250 HB -0.01 0.04 0.10 -0.04 4.32 4.41 1taqA1 THR 250 HG23 -0.01 0.04 -0.07 -0.04 1.22 1.15 1taqA1 ASP 251 H -0.05 -0.02 -0.33 -0.55 8.40 7.45 1taqA1 ASP 251 HA -0.02 0.35 0.82 -0.75 4.63 5.03 1taqA1 ASP 251 HB2 -0.02 0.03 0.12 -0.04 2.71 2.80 1taqA1 ASP 251 HB3 -0.02 0.04 -0.05 -0.04 2.70 2.63 1taqA1 LEU 252 H -0.09 0.16 -0.39 -0.55 8.37 7.51 1taqA1 LEU 252 HA -0.13 0.05 0.30 -0.75 4.35 3.81 1taqA1 LEU 252 HB2 -0.12 0.03 -0.05 -0.04 1.64 1.46 1taqA1 LEU 252 HB3 -0.16 0.02 -0.20 -0.04 1.64 1.25 1taqA1 LEU 252 HG -0.56 -0.11 -0.27 -0.04 1.64 0.66 1taqA1 LEU 252 HD13 -0.99 0.00 -0.08 -0.04 0.93 -0.18 1taqA1 LEU 252 HD23 -0.20 -0.01 -0.11 -0.04 0.89 0.53 1taqA1 PRO 253 HA 0.03 0.12 0.62 -0.51 4.44 4.70 1taqA1 PRO 253 HB2 0.05 -0.02 0.06 -0.04 2.28 2.33 1taqA1 PRO 253 HB3 0.04 0.05 0.09 -0.04 2.02 2.15 1taqA1 PRO 253 HG2 0.16 -0.01 0.16 -0.04 2.03 2.29 1taqA1 PRO 253 HG3 0.09 0.01 0.09 -0.04 2.03 2.18 1taqA1 PRO 253 HD2 0.12 -0.01 0.17 -0.04 3.68 3.92 1taqA1 PRO 253 HD3 0.03 0.24 0.19 -0.04 3.65 4.08 1taqA1 LEU 254 H 0.03 0.40 0.16 -0.55 8.37 8.41 1taqA1 LEU 254 HA 0.03 0.05 0.57 -0.75 4.35 4.25 1taqA1 LEU 254 HB2 0.02 -0.09 -0.08 -0.04 1.64 1.45 1taqA1 LEU 254 HB3 0.08 0.05 -0.24 -0.04 1.64 1.49 1taqA1 LEU 254 HG 0.03 0.15 -0.27 -0.04 1.64 1.51 1taqA1 LEU 254 HD13 0.01 0.01 -0.32 -0.04 0.93 0.59 1taqA1 LEU 254 HD23 0.05 -0.02 -0.21 -0.04 0.89 0.68 1taqA1 GLU 255 H -0.02 0.03 0.09 -0.55 8.60 8.16 1taqA1 GLU 255 HA -0.02 0.28 0.89 -0.75 4.29 4.69 1taqA1 GLU 255 HB2 -0.02 -0.02 0.01 -0.04 2.09 2.02 1taqA1 GLU 255 HB3 -0.04 -0.06 0.03 -0.04 1.99 1.89 1taqA1 GLU 255 HG2 -0.02 -0.02 -0.06 -0.04 2.34 2.21 1taqA1 GLU 255 HG3 -0.03 0.00 -0.14 -0.04 2.34 2.13 1taqA1 VAL 256 H -0.07 -0.02 0.06 -0.55 8.24 7.66 1taqA1 VAL 256 HA -0.13 -0.05 0.37 -0.75 4.13 3.56 1taqA1 VAL 256 HB -0.09 -0.05 0.04 -0.04 2.12 1.98 1taqA1 VAL 256 HG13 -0.14 -0.01 -0.23 -0.04 0.97 0.55 1taqA1 VAL 256 HG23 -0.18 0.02 -0.23 -0.04 0.95 0.52 1taqA1 ASP 257 H -0.17 0.02 0.08 -0.55 8.40 7.78 1taqA1 ASP 257 HA -0.63 0.31 1.04 -0.75 4.63 4.60 1taqA1 ASP 257 HB2 -0.08 -0.07 0.05 -0.04 2.71 2.56 1taqA1 ASP 257 HB3 -0.04 0.03 -0.08 -0.04 2.70 2.56 1taqA1 PHE 258 H -0.26 0.16 0.08 -0.55 8.34 7.78 1taqA1 PHE 258 HA -0.09 0.08 0.42 -0.75 4.62 4.27 1taqA1 PHE 258 HB2 -0.35 0.02 0.13 -0.04 3.15 2.91 1taqA1 PHE 258 HB3 -0.39 0.02 -0.03 -0.04 3.06 2.62 1taqA1 PHE 258 HD2 -0.12 -0.01 -0.07 -0.04 7.28 7.04 1taqA1 PHE 258 HE2 -0.05 -0.02 -0.10 -0.04 7.38 7.17 1taqA1 PHE 258 HZ -0.05 -0.02 0.02 -0.04 7.32 7.23 1taqA1 ALA 259 H -0.02 0.28 0.27 -0.55 8.40 8.39 1taqA1 ALA 259 HA 0.05 0.10 0.60 -0.75 4.34 4.33 1taqA1 ALA 259 HB3 0.00 -0.01 0.05 -0.04 1.41 1.41 1taqA1 LYS 260 H 0.03 0.04 0.17 -0.55 8.42 8.11 1taqA1 LYS 260 HA 0.03 0.35 0.70 -0.75 4.32 4.64 1taqA1 LYS 260 HB2 0.03 -0.07 0.16 -0.04 1.87 1.94 1taqA1 LYS 260 HB3 0.02 0.06 0.21 -0.04 1.79 2.04 1taqA1 LYS 260 HG2 0.04 0.05 0.02 -0.04 1.46 1.53 1taqA1 LYS 260 HG3 0.05 -0.08 0.01 -0.04 1.46 1.40 1taqA1 LYS 260 HD2 0.03 -0.05 0.07 -0.04 1.69 1.71 1taqA1 LYS 260 HD3 0.03 0.03 0.09 -0.04 1.68 1.78 1taqA1 LYS 260 HE2 0.03 -0.02 0.06 -0.04 2.99 3.02 1taqA1 LYS 260 HE3 0.04 -0.03 0.09 -0.04 2.99 3.05 1taqA1 ARG 261 H 0.02 0.23 0.32 -0.55 8.46 8.47 1taqA1 ARG 261 HA 0.01 0.01 0.48 -0.75 4.34 4.08 1taqA1 ARG 261 HB2 0.01 -0.03 0.11 -0.04 1.90 1.95 1taqA1 ARG 261 HB3 0.01 0.14 0.17 -0.04 1.80 2.09 1taqA1 ARG 261 HG2 0.02 -0.11 0.15 -0.04 1.67 1.69 1taqA1 ARG 261 HG3 0.02 0.06 0.23 -0.04 1.67 1.94 1taqA1 ARG 261 HD2 0.02 0.01 0.04 -0.04 3.22 3.25 1taqA1 ARG 261 HD3 0.02 -0.05 0.02 -0.04 3.22 3.17 1taqA1 ARG 262 H 0.00 0.62 0.34 -0.55 8.46 8.87 1taqA1 ARG 262 HA 0.00 0.08 0.67 -0.75 4.34 4.34 1taqA1 ARG 262 HB2 -0.01 -0.02 0.08 -0.04 1.90 1.92 1taqA1 ARG 262 HB3 -0.01 -0.17 0.21 -0.04 1.80 1.79 1taqA1 ARG 262 HG2 -0.01 -0.08 0.01 -0.04 1.67 1.55 1taqA1 ARG 262 HG3 -0.00 0.02 0.02 -0.04 1.67 1.66 1taqA1 ARG 262 HD2 0.00 0.19 0.07 -0.04 3.22 3.44 1taqA1 ARG 262 HD3 -0.01 -0.06 -0.29 -0.04 3.22 2.83 1taqA1 GLU 263 H -0.01 0.04 0.15 -0.55 8.60 8.24 1taqA1 GLU 263 HA 0.00 0.21 0.62 -0.75 4.29 4.37 1taqA1 GLU 263 HB2 -0.00 -0.00 0.09 -0.04 2.09 2.13 1taqA1 GLU 263 HB3 -0.01 -0.09 0.12 -0.04 1.99 1.98 1taqA1 GLU 263 HG2 -0.00 0.21 -0.07 -0.04 2.34 2.43 1taqA1 GLU 263 HG3 0.00 0.02 0.08 -0.04 2.34 2.40 1taqA1 PRO 264 HA -0.04 0.16 0.40 -0.51 4.44 4.45 1taqA1 PRO 264 HB2 -0.03 -0.09 -0.01 -0.04 2.28 2.11 1taqA1 PRO 264 HB3 -0.02 0.15 0.08 -0.04 2.02 2.19 1taqA1 PRO 264 HG2 0.00 -0.14 0.13 -0.04 2.03 1.97 1taqA1 PRO 264 HG3 0.01 0.09 0.08 -0.04 2.03 2.17 1taqA1 PRO 264 HD2 0.00 0.02 0.26 -0.04 3.68 3.92 1taqA1 PRO 264 HD3 0.00 0.35 0.13 -0.04 3.65 4.09 1taqA1 ASP 265 H -0.06 0.49 0.20 -0.55 8.40 8.48 1taqA1 ASP 265 HA -0.02 0.13 0.59 -0.75 4.63 4.58 1taqA1 ASP 265 HB2 -0.05 0.14 0.14 -0.04 2.71 2.90 1taqA1 ASP 265 HB3 -0.06 -0.06 0.26 -0.04 2.70 2.80 1taqA1 ARG 266 H -0.01 0.60 -0.15 -0.55 8.46 8.34 1taqA1 ARG 266 HA -0.02 0.03 0.23 -0.75 4.34 3.83 1taqA1 ARG 266 HB2 0.01 0.02 0.08 -0.04 1.90 1.96 1taqA1 ARG 266 HB3 0.01 -0.00 0.01 -0.04 1.80 1.78 1taqA1 ARG 266 HG2 0.00 -0.01 -0.04 -0.04 1.67 1.59 1taqA1 ARG 266 HG3 0.01 0.13 0.04 -0.04 1.67 1.81 1taqA1 ARG 266 HD2 0.02 0.06 0.01 -0.04 3.22 3.27 1taqA1 ARG 266 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 1taqA1 GLU 267 H -0.00 0.10 -0.35 -0.55 8.60 7.81 1taqA1 GLU 267 HA 0.01 0.13 0.54 -0.75 4.29 4.22 1taqA1 GLU 267 HB2 0.01 0.03 0.06 -0.04 2.09 2.15 1taqA1 GLU 267 HB3 0.01 0.03 0.08 -0.04 1.99 2.06 1taqA1 GLU 267 HG2 -0.00 -0.06 0.04 -0.04 2.34 2.27 1taqA1 GLU 267 HG3 0.00 0.03 -0.07 -0.04 2.34 2.26 1taqA1 ARG 268 H -0.01 0.25 0.00 -0.55 8.46 8.16 1taqA1 ARG 268 HA 0.03 0.08 0.71 -0.75 4.34 4.40 1taqA1 ARG 268 HB2 -0.02 0.05 0.13 -0.04 1.90 2.02 1taqA1 ARG 268 HB3 0.00 0.02 0.06 -0.04 1.80 1.84 1taqA1 ARG 268 HG2 0.02 0.01 -0.00 -0.04 1.67 1.65 1taqA1 ARG 268 HG3 0.00 -0.03 -0.05 -0.04 1.67 1.55 1taqA1 ARG 268 HD2 0.01 0.01 0.00 -0.04 3.22 3.21 1taqA1 ARG 268 HD3 0.01 0.01 -0.01 -0.04 3.22 3.19 1taqA1 LEU 269 H -0.03 0.52 -0.11 -0.55 8.37 8.21 1taqA1 LEU 269 HA -0.11 0.07 0.39 -0.75 4.35 3.95 1taqA1 LEU 269 HB2 -0.12 0.09 -0.12 -0.04 1.64 1.44 1taqA1 LEU 269 HB3 -0.05 0.01 -0.05 -0.04 1.64 1.50 1taqA1 LEU 269 HG -0.15 -0.04 -0.21 -0.04 1.64 1.21 1taqA1 LEU 269 HD13 -0.41 -0.01 -0.04 -0.04 0.93 0.43 1taqA1 LEU 269 HD23 -0.28 0.03 -0.10 -0.04 0.89 0.51 1taqA1 ARG 270 H 0.02 0.30 -0.35 -0.55 8.46 7.88 1taqA1 ARG 270 HA 0.07 0.03 0.35 -0.75 4.34 4.03 1taqA1 ARG 270 HB2 0.03 0.33 0.19 -0.04 1.90 2.42 1taqA1 ARG 270 HB3 0.04 0.06 0.10 -0.04 1.80 1.96 1taqA1 ARG 270 HG2 0.05 -0.06 0.01 -0.04 1.67 1.63 1taqA1 ARG 270 HG3 0.05 0.00 0.02 -0.04 1.67 1.71 1taqA1 ARG 270 HD2 0.04 -0.02 -0.01 -0.04 3.22 3.19 1taqA1 ARG 270 HD3 0.03 0.03 0.03 -0.04 3.22 3.27 1taqA1 ALA 271 H 0.05 0.44 -0.03 -0.55 8.40 8.32 1taqA1 ALA 271 HA 0.04 0.02 0.29 -0.75 4.34 3.94 1taqA1 ALA 271 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 1taqA1 PHE 272 H 0.18 0.55 -0.50 -0.55 8.34 8.03 1taqA1 PHE 272 HA -0.01 -0.00 0.34 -0.75 4.62 4.19 1taqA1 PHE 272 HB2 -0.04 0.05 0.11 -0.04 3.15 3.23 1taqA1 PHE 272 HB3 -0.05 0.08 0.20 -0.04 3.06 3.26 1taqA1 PHE 272 HD2 -0.04 0.01 -0.10 -0.04 7.28 7.11 1taqA1 PHE 272 HE2 -0.04 -0.02 -0.04 -0.04 7.38 7.23 1taqA1 PHE 272 HZ -0.05 0.06 -0.06 -0.04 7.32 7.24 1taqA1 LEU 273 H 0.28 0.81 0.02 -0.55 8.37 8.93 1taqA1 LEU 273 HA 0.08 0.00 0.31 -0.75 4.35 3.99 1taqA1 LEU 273 HB2 0.15 0.16 0.12 -0.04 1.64 2.03 1taqA1 LEU 273 HB3 0.19 -0.12 -0.48 -0.04 1.64 1.19 1taqA1 LEU 273 HG 0.23 0.06 0.01 -0.04 1.64 1.90 1taqA1 LEU 273 HD13 0.15 0.02 -0.08 -0.04 0.93 0.97 1taqA1 LEU 273 HD23 0.30 0.01 -0.12 -0.04 0.89 1.04 1taqA1 GLU 274 H 0.06 0.73 -0.31 -0.55 8.60 8.52 1taqA1 GLU 274 HA 0.02 -0.19 0.47 -0.75 4.29 3.84 1taqA1 GLU 274 HB2 0.02 0.14 0.04 -0.04 2.09 2.25 1taqA1 GLU 274 HB3 0.01 -0.02 0.05 -0.04 1.99 1.99 1taqA1 GLU 274 HG2 0.04 -0.17 -0.02 -0.04 2.34 2.15 1taqA1 GLU 274 HG3 0.05 0.23 0.03 -0.04 2.34 2.62 1taqA1 ARG 275 H -0.05 0.46 -0.29 -0.55 8.46 8.03 1taqA1 ARG 275 HA -0.04 0.04 0.45 -0.75 4.34 4.04 1taqA1 ARG 275 HB2 -0.13 0.22 0.25 -0.04 1.90 2.20 1taqA1 ARG 275 HB3 -0.12 -0.05 -0.03 -0.04 1.80 1.55 1taqA1 ARG 275 HG2 -0.04 -0.04 0.06 -0.04 1.67 1.62 1taqA1 ARG 275 HG3 -0.02 0.06 0.05 -0.04 1.67 1.71 1taqA1 ARG 275 HD2 -0.06 -0.01 -0.01 -0.04 3.22 3.10 1taqA1 ARG 275 HD3 -0.02 -0.05 -0.00 -0.04 3.22 3.11 1taqA1 LEU 276 H -0.11 0.31 -0.23 -0.55 8.37 7.80 1taqA1 LEU 276 HA -0.03 0.14 0.62 -0.75 4.35 4.33 1taqA1 LEU 276 HB2 0.10 -0.05 0.00 -0.04 1.64 1.65 1taqA1 LEU 276 HB3 0.08 -0.02 0.09 -0.04 1.64 1.75 1taqA1 LEU 276 HG -0.51 0.21 -0.01 -0.04 1.64 1.29 1taqA1 LEU 276 HD13 -0.42 -0.03 -0.08 -0.04 0.93 0.36 1taqA1 LEU 276 HD23 -0.22 0.00 -0.10 -0.04 0.89 0.53 1taqA1 GLU 277 H -0.02 0.25 -0.67 -0.55 8.60 7.61 1taqA1 GLU 277 HA -0.05 0.07 0.33 -0.75 4.29 3.88 1taqA1 GLU 277 HB2 -0.15 0.20 -0.03 -0.04 2.09 2.07 1taqA1 GLU 277 HB3 -0.16 -0.06 0.22 -0.04 1.99 1.95 1taqA1 GLU 277 HG2 -0.06 0.03 0.02 -0.04 2.34 2.29 1taqA1 GLU 277 HG3 -0.05 0.08 -0.29 -0.04 2.34 2.04 1taqA1 PHE 278 H 0.16 0.43 -0.32 -0.55 8.34 8.05 1taqA1 PHE 278 HA 0.04 0.17 0.77 -0.75 4.62 4.85 1taqA1 PHE 278 HB2 0.07 0.03 -0.05 -0.04 3.15 3.16 1taqA1 PHE 278 HB3 0.17 -0.05 0.08 -0.04 3.06 3.22 1taqA1 PHE 278 HD2 0.08 0.03 -0.05 -0.04 7.28 7.29 1taqA1 PHE 278 HE2 -0.22 -0.01 -0.07 -0.04 7.38 7.05 1taqA1 PHE 278 HZ -0.64 -0.03 -0.05 -0.04 7.32 6.55 1taqA1 GLY 279 H 0.07 0.22 -0.46 -0.55 8.43 7.72 1taqA1 GLY 279 HA2 0.15 0.08 0.38 -0.51 4.01 4.12 1taqA1 GLY 279 HA3 0.08 0.08 0.08 -0.51 4.01 3.74 1taqA1 SER 280 H 0.05 0.15 -0.41 -0.55 8.46 7.70 1taqA1 SER 280 HA 0.05 0.07 0.29 -0.75 4.49 4.15 1taqA1 SER 280 HB2 -0.00 0.02 -0.04 -0.04 3.95 3.89 1taqA1 SER 280 HB3 0.00 0.03 0.06 -0.04 3.93 3.98 1taqA1 LEU 281 H 0.21 0.31 -0.64 -0.55 8.37 7.70 1taqA1 LEU 281 HA 0.13 0.23 0.95 -0.75 4.35 4.90 1taqA1 LEU 281 HB2 0.12 -0.04 0.16 -0.04 1.64 1.84 1taqA1 LEU 281 HB3 0.14 0.05 -0.05 -0.04 1.64 1.74 1taqA1 LEU 281 HG 0.41 -0.05 -0.03 -0.04 1.64 1.93 1taqA1 LEU 281 HD13 0.36 0.02 -0.08 -0.04 0.93 1.19 1taqA1 LEU 281 HD23 0.40 0.00 -0.03 -0.04 0.89 1.22 1taqA1 LEU 282 H 0.18 0.60 -0.23 -0.55 8.37 8.38 1taqA1 LEU 282 HA 0.44 0.06 0.33 -0.75 4.35 4.43 1taqA1 LEU 282 HB2 0.18 -0.01 0.11 -0.04 1.64 1.88 1taqA1 LEU 282 HB3 0.15 0.11 0.10 -0.04 1.64 1.97 1taqA1 LEU 282 HG 0.15 -0.01 -0.27 -0.04 1.64 1.47 1taqA1 LEU 282 HD13 0.14 -0.02 -0.07 -0.04 0.93 0.94 1taqA1 LEU 282 HD23 0.08 0.00 -0.05 -0.04 0.89 0.89 1taqA1 HIS 283 H 0.21 0.19 -0.25 -0.55 8.41 8.02 1taqA1 HIS 283 HA 0.05 0.01 0.30 -0.75 4.63 4.24 1taqA1 HIS 283 HB2 0.02 0.02 0.05 -0.04 3.26 3.32 1taqA1 HIS 283 HB3 0.04 0.05 0.02 -0.04 3.20 3.26 1taqA1 HIS 283 HD2 0.01 0.03 -0.09 -0.04 6.97 6.87 1taqA1 HIS 283 HE1 -0.05 -0.03 -0.07 -0.04 7.75 7.56 1taqA1 GLU 284 H -0.14 0.35 -0.48 -0.55 8.60 7.78 1taqA1 GLU 284 HA -0.43 0.04 0.36 -0.75 4.29 3.50 1taqA1 GLU 284 HB2 -0.43 0.08 0.04 -0.04 2.09 1.73 1taqA1 GLU 284 HB3 -0.38 0.01 -0.03 -0.04 1.99 1.55 1taqA1 GLU 284 HG2 -0.20 -0.00 0.04 -0.04 2.34 2.13 1taqA1 GLU 284 HG3 -0.18 -0.00 0.01 -0.04 2.34 2.13 1taqA1 PHE 285 H 0.06 0.46 -0.16 -0.55 8.34 8.14 1taqA1 PHE 285 HA -0.01 0.10 0.37 -0.75 4.62 4.32 1taqA1 PHE 285 HB2 0.03 0.14 0.07 -0.04 3.15 3.34 1taqA1 PHE 285 HB3 0.01 -0.03 0.03 -0.04 3.06 3.04 1taqA1 PHE 285 HD2 0.03 0.02 0.01 -0.04 7.28 7.30 1taqA1 PHE 285 HE2 0.04 -0.00 -0.09 -0.04 7.38 7.29 1taqA1 PHE 285 HZ 0.03 -0.05 -0.08 -0.04 7.32 7.18 1taqA1 GLY 286 H 0.11 0.41 -0.51 -0.55 8.43 7.90 1taqA1 GLY 286 HA2 0.08 0.07 0.57 -0.51 4.01 4.23 1taqA1 GLY 286 HA3 0.09 -0.00 0.28 -0.51 4.01 3.87 1taqA1 LEU 287 H 0.01 0.40 -0.30 -0.55 8.37 7.93 1taqA1 LEU 287 HA 0.01 -0.02 0.18 -0.75 4.35 3.76 1taqA1 LEU 287 HB2 -0.08 0.24 0.14 -0.04 1.64 1.91 1taqA1 LEU 287 HB3 -0.03 -0.02 0.17 -0.04 1.64 1.72 1taqA1 LEU 287 HG -0.00 0.12 0.06 -0.04 1.64 1.77 1taqA1 LEU 287 HD13 -0.04 -0.01 -0.00 -0.04 0.93 0.83 1taqA1 LEU 287 HD23 0.05 -0.03 -0.17 -0.04 0.89 0.70 1taqA1 LEU 288 H 0.03 0.16 -0.59 -0.55 8.37 7.42 1taqA1 LEU 288 HA 0.00 0.28 0.93 -0.75 4.35 4.81 1taqA1 LEU 288 HB2 0.03 0.01 -0.02 -0.04 1.64 1.62 1taqA1 LEU 288 HB3 0.01 0.07 -0.04 -0.04 1.64 1.65 1taqA1 LEU 288 HG 0.07 0.06 -0.01 -0.04 1.64 1.72 1taqA1 LEU 288 HD13 0.11 -0.02 -0.01 -0.04 0.93 0.97 1taqA1 LEU 288 HD23 0.06 -0.08 -0.16 -0.04 0.89 0.67 1taqA1 GLU 289 H 0.03 0.19 0.08 -0.55 8.60 8.35 1taqA1 GLU 289 HA 0.02 0.16 0.60 -0.75 4.29 4.32 1taqA1 GLU 289 HB2 0.02 -0.04 0.20 -0.04 2.09 2.23 1taqA1 GLU 289 HB3 0.03 0.03 0.12 -0.04 1.99 2.13 1taqA1 GLU 289 HG2 0.03 0.26 0.19 -0.04 2.34 2.79 1taqA1 GLU 289 HG3 0.02 -0.08 0.06 -0.04 2.34 2.30 1taqA1 SER 290 H 0.01 0.22 -1.00 -0.55 8.46 7.14 1taqA1 SER 290 HA -0.00 0.07 0.47 -0.75 4.49 4.27 1taqA1 SER 290 HB2 -0.00 0.09 -0.12 -0.04 3.95 3.87 1taqA1 SER 290 HB3 -0.00 -0.02 -0.20 -0.04 3.93 3.67 1taqA1 PRO 291 HA 0.01 -0.01 0.37 -0.51 4.44 4.30 1taqA1 PRO 291 HB2 0.01 0.05 0.05 -0.04 2.28 2.34 1taqA1 PRO 291 HB3 0.01 0.02 0.10 -0.04 2.02 2.10 1taqA1 PRO 291 HG2 -0.00 -0.00 0.10 -0.04 2.03 2.09 1taqA1 PRO 291 HG3 0.00 -0.01 0.07 -0.04 2.03 2.05 1taqA1 PRO 291 HD2 -0.01 -0.03 0.17 -0.04 3.68 3.77 1taqA1 PRO 291 HD3 0.00 0.22 0.22 -0.04 3.65 4.05 1taqA1 LYS 292 H 0.01 0.09 0.19 -0.55 8.42 8.16 1taqA1 LYS 292 HA 0.01 0.00 0.41 -0.75 4.32 3.98 1taqA1 LYS 292 HB2 0.01 -0.08 0.04 -0.04 1.87 1.79 1taqA1 LYS 292 HB3 0.01 0.04 -0.13 -0.04 1.79 1.67 1taqA1 LYS 292 HG2 0.01 0.02 0.08 -0.04 1.46 1.53 1taqA1 LYS 292 HG3 0.01 -0.04 0.01 -0.04 1.46 1.40 1taqA1 LYS 292 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 1taqA1 LYS 292 HD3 0.01 0.10 -0.06 -0.04 1.68 1.68 1taqA1 LYS 292 HE2 0.00 -0.05 0.15 -0.04 2.99 3.06 1taqA1 LYS 292 HE3 0.01 0.03 0.05 -0.04 2.99 3.03 1taqA1 ALA 293 H 0.00 0.09 0.08 -0.55 8.40 8.04 1taqA1 ALA 293 HA 0.01 -0.04 0.37 -0.75 4.34 3.93 1taqA1 ALA 293 HB3 0.00 0.01 0.09 -0.04 1.41 1.48 1taqA1 LEU 294 H 0.01 0.02 0.19 -0.55 8.37 8.05 1taqA1 LEU 294 HA 0.01 0.09 0.54 -0.75 4.35 4.23 1taqA1 LEU 294 HB2 0.02 -0.05 0.19 -0.04 1.64 1.76 1taqA1 LEU 294 HB3 0.02 -0.02 0.26 -0.04 1.64 1.86 1taqA1 LEU 294 HG 0.02 -0.04 0.10 -0.04 1.64 1.68 1taqA1 LEU 294 HD13 0.01 0.01 0.02 -0.04 0.93 0.93 1taqA1 LEU 294 HD23 0.03 -0.00 0.10 -0.04 0.89 0.98 1taqA1 GLU 295 H 0.01 0.10 0.17 -0.55 8.60 8.33 1taqA1 GLU 295 HA -0.01 0.12 0.71 -0.75 4.29 4.36 1taqA1 GLU 295 HB2 -0.01 0.06 0.10 -0.04 2.09 2.19 1taqA1 GLU 295 HB3 -0.00 -0.02 0.10 -0.04 1.99 2.03 1taqA1 GLU 295 HG2 -0.01 0.02 -0.07 -0.04 2.34 2.24 1taqA1 GLU 295 HG3 0.00 -0.00 0.01 -0.04 2.34 2.31 1taqA1 GLU 296 H -0.03 0.09 0.18 -0.55 8.60 8.30 1taqA1 GLU 296 HA -0.07 0.35 1.03 -0.75 4.29 4.84 1taqA1 GLU 296 HB2 -0.03 -0.08 0.05 -0.04 2.09 2.00 1taqA1 GLU 296 HB3 -0.04 -0.02 0.17 -0.04 1.99 2.06 1taqA1 GLU 296 HG2 0.01 0.06 -0.07 -0.04 2.34 2.30 1taqA1 GLU 296 HG3 -0.00 0.02 -0.17 -0.04 2.34 2.15 1taqA1 ALA 297 H -0.21 0.46 0.33 -0.55 8.40 8.44 1taqA1 ALA 297 HA -0.14 0.03 0.56 -0.75 4.34 4.04 1taqA1 ALA 297 HB3 -0.66 0.02 -0.08 -0.04 1.41 0.64 1taqA1 PRO 298 HA 0.08 -0.00 0.42 -0.51 4.44 4.43 1taqA1 PRO 298 HB2 0.03 0.09 -0.09 -0.04 2.28 2.27 1taqA1 PRO 298 HB3 0.06 -0.03 0.08 -0.04 2.02 2.08 1taqA1 PRO 298 HG2 0.01 0.03 0.05 -0.04 2.03 2.07 1taqA1 PRO 298 HG3 0.01 0.01 0.08 -0.04 2.03 2.09 1taqA1 PRO 298 HD2 -0.04 0.14 0.16 -0.04 3.68 3.90 1taqA1 PRO 298 HD3 -0.04 0.11 0.16 -0.04 3.65 3.84 1taqA1 TRP 299 H 0.26 0.01 0.11 -0.55 7.97 7.79 1taqA1 TRP 299 HA 0.10 0.07 0.03 -0.75 4.62 4.06 1taqA1 TRP 299 HB2 0.04 0.02 0.12 -0.04 3.23 3.37 1taqA1 TRP 299 HB3 0.03 -0.05 0.16 -0.04 3.23 3.33 1taqA1 TRP 299 HD1 0.01 -0.04 -0.02 -0.04 7.22 7.14 1taqA1 TRP 299 HE1 -0.00 0.06 -0.02 -0.04 10.20 10.19 1taqA1 TRP 299 HE3 0.07 -0.00 -0.63 -0.04 7.59 6.99 1taqA1 TRP 299 HZ2 -0.02 0.11 -0.18 -0.04 7.44 7.31 1taqA1 TRP 299 HZ3 0.04 -0.03 -0.33 -0.04 7.13 6.77 1taqA1 TRP 299 HH2 -0.01 0.00 -0.29 -0.04 7.19 6.85 1taqA1 PRO 300 HA -1.43 0.09 0.38 -0.51 4.44 2.97 1taqA1 PRO 300 HB2 -0.28 0.07 0.03 -0.04 2.28 2.05 1taqA1 PRO 300 HB3 -0.26 -0.01 0.10 -0.04 2.02 1.81 1taqA1 PRO 300 HG2 -0.15 0.05 -0.09 -0.04 2.03 1.80 1taqA1 PRO 300 HG3 -0.07 -0.02 0.00 -0.04 2.03 1.90 1taqA1 PRO 300 HD2 0.03 -0.04 -0.04 -0.04 3.68 3.59 1taqA1 PRO 300 HD3 0.06 0.07 0.11 -0.04 3.65 3.85 1taqA1 PRO 301 HA -0.92 0.13 0.61 -0.51 4.44 3.75 1taqA1 PRO 301 HB2 -0.59 -0.03 -0.02 -0.04 2.28 1.60 1taqA1 PRO 301 HB3 -0.83 0.02 0.04 -0.04 2.02 1.21 1taqA1 PRO 301 HG2 -0.45 0.04 -0.07 -0.04 2.03 1.51 1taqA1 PRO 301 HG3 -0.51 -0.06 -0.07 -0.04 2.03 1.35 1taqA1 PRO 301 HD2 -1.04 0.05 0.12 -0.04 3.68 2.77 1taqA1 PRO 301 HD3 -3.00 0.12 -0.03 -0.04 3.65 0.71 1taqA1 PRO 302 HA -0.17 0.06 0.41 -0.51 4.44 4.23 1taqA1 PRO 302 HB2 -0.14 -0.02 -0.17 -0.04 2.28 1.91 1taqA1 PRO 302 HB3 -0.10 0.01 0.03 -0.04 2.02 1.92 1taqA1 PRO 302 HG2 -0.06 0.01 -0.01 -0.04 2.03 1.93 1taqA1 PRO 302 HG3 -0.08 0.06 -0.01 -0.04 2.03 1.97 1taqA1 PRO 302 HD2 -0.39 0.03 0.05 -0.04 3.68 3.34 1taqA1 PRO 302 HD3 -0.53 0.21 0.12 -0.04 3.65 3.41 1taqA1 GLU 303 H -0.12 0.10 0.12 -0.55 8.60 8.15 1taqA1 GLU 303 HA -0.15 0.07 0.56 -0.75 4.29 4.02 1taqA1 GLU 303 HB2 -0.10 0.02 0.16 -0.04 2.09 2.14 1taqA1 GLU 303 HB3 -0.09 -0.02 0.17 -0.04 1.99 2.00 1taqA1 GLU 303 HG2 -0.10 -0.01 -0.03 -0.04 2.34 2.17 1taqA1 GLU 303 HG3 -0.10 0.00 0.08 -0.04 2.34 2.29 1taqA1 GLY 304 H -0.19 0.17 0.25 -0.55 8.43 8.12 1taqA1 GLY 304 HA2 -0.26 -0.02 0.28 -0.51 4.01 3.49 1taqA1 GLY 304 HA3 -0.19 0.16 0.83 -0.51 4.01 4.31 1taqA1 ALA 305 H -0.22 0.23 0.08 -0.55 8.40 7.95 1taqA1 ALA 305 HA -0.13 0.11 0.74 -0.75 4.34 4.30 1taqA1 ALA 305 HB3 -0.17 -0.01 -0.06 -0.04 1.41 1.14 1taqA1 PHE 306 H 0.21 0.42 0.36 -0.55 8.34 8.78 1taqA1 PHE 306 HA -0.03 0.34 0.86 -0.75 4.62 5.03 1taqA1 PHE 306 HB2 0.02 -0.06 0.16 -0.04 3.15 3.24 1taqA1 PHE 306 HB3 0.03 -0.02 0.06 -0.04 3.06 3.09 1taqA1 PHE 306 HD2 -0.05 -0.01 -0.10 -0.04 7.28 7.07 1taqA1 PHE 306 HE2 -0.35 -0.07 -0.06 -0.04 7.38 6.86 1taqA1 PHE 306 HZ -0.59 -0.03 -0.04 -0.04 7.32 6.61 1taqA1 VAL 307 H 0.13 0.41 0.33 -0.55 8.24 8.56 1taqA1 VAL 307 HA 0.18 0.24 0.95 -0.75 4.13 4.75 1taqA1 VAL 307 HB 0.18 0.07 0.04 -0.04 2.12 2.36 1taqA1 VAL 307 HG13 0.10 0.03 0.04 -0.04 0.97 1.09 1taqA1 VAL 307 HG23 0.13 -0.03 -0.12 -0.04 0.95 0.90 1taqA1 GLY 308 H 0.19 0.71 0.33 -0.55 8.43 9.11 1taqA1 GLY 308 HA2 0.16 0.12 0.64 -0.51 4.01 4.41 1taqA1 GLY 308 HA3 0.08 0.16 0.26 -0.51 4.01 4.00 1taqA1 PHE 309 H -0.22 0.26 0.09 -0.55 8.34 7.92 1taqA1 PHE 309 HA -0.04 0.10 0.52 -0.75 4.62 4.45 1taqA1 PHE 309 HB2 -0.05 0.09 0.13 -0.04 3.15 3.29 1taqA1 PHE 309 HB3 -0.01 0.09 -0.12 -0.04 3.06 2.98 1taqA1 PHE 309 HD2 0.03 -0.02 -0.38 -0.04 7.28 6.87 1taqA1 PHE 309 HE2 0.07 0.10 -0.22 -0.04 7.38 7.29 1taqA1 PHE 309 HZ 0.08 0.01 -0.08 -0.04 7.32 7.30 1taqA1 VAL 310 H 0.06 0.61 0.28 -0.55 8.24 8.63 1taqA1 VAL 310 HA -0.19 0.18 0.91 -0.75 4.13 4.28 1taqA1 VAL 310 HB -0.05 -0.08 0.07 -0.04 2.12 2.02 1taqA1 VAL 310 HG13 -0.36 0.04 -0.10 -0.04 0.97 0.51 1taqA1 VAL 310 HG23 -0.21 0.03 -0.31 -0.04 0.95 0.42 1taqA1 LEU 311 H -0.02 0.21 0.10 -0.55 8.37 8.11 1taqA1 LEU 311 HA 0.08 0.28 1.02 -0.75 4.35 4.97 1taqA1 LEU 311 HB2 0.10 -0.00 -0.20 -0.04 1.64 1.49 1taqA1 LEU 311 HB3 0.11 0.00 -0.08 -0.04 1.64 1.64 1taqA1 LEU 311 HG 0.33 -0.08 -0.24 -0.04 1.64 1.60 1taqA1 LEU 311 HD13 0.25 0.02 -0.19 -0.04 0.93 0.97 1taqA1 LEU 311 HD23 0.19 0.01 -0.25 -0.04 0.89 0.80 1taqA1 SER 312 H 0.08 0.44 0.35 -0.55 8.46 8.78 1taqA1 SER 312 HA 0.07 0.07 0.46 -0.75 4.49 4.34 1taqA1 SER 312 HB2 0.07 0.05 0.07 -0.04 3.95 4.10 1taqA1 SER 312 HB3 0.08 0.03 0.17 -0.04 3.93 4.17 1taqA1 ARG 313 H 0.09 0.11 -0.13 -0.55 8.46 7.98 1taqA1 ARG 313 HA 0.06 0.13 0.56 -0.75 4.34 4.33 1taqA1 ARG 313 HB2 0.05 -0.07 0.04 -0.04 1.90 1.88 1taqA1 ARG 313 HB3 0.07 0.10 -0.12 -0.04 1.80 1.80 1taqA1 ARG 313 HG2 0.14 -0.10 -0.11 -0.04 1.67 1.56 1taqA1 ARG 313 HG3 0.14 -0.03 -0.33 -0.04 1.67 1.41 1taqA1 ARG 313 HD2 0.12 -0.02 -0.03 -0.04 3.22 3.25 1taqA1 ARG 313 HD3 0.27 0.24 -0.09 -0.04 3.22 3.60 1taqA1 LYS 314 H 0.05 0.15 0.04 -0.55 8.42 8.11 1taqA1 LYS 314 HA 0.09 0.05 0.24 -0.75 4.32 3.95 1taqA1 LYS 314 HB2 0.05 0.01 -0.02 -0.04 1.87 1.87 1taqA1 LYS 314 HB3 0.06 0.00 0.08 -0.04 1.79 1.88 1taqA1 LYS 314 HG2 0.03 -0.00 0.07 -0.04 1.46 1.52 1taqA1 LYS 314 HG3 0.03 -0.02 -0.03 -0.04 1.46 1.40 1taqA1 LYS 314 HD2 0.01 0.00 -0.07 -0.04 1.69 1.59 1taqA1 LYS 314 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.63 1taqA1 LYS 314 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 1taqA1 LYS 314 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.92 1taqA1 GLU 315 H 0.08 0.04 -0.35 -0.55 8.60 7.82 1taqA1 GLU 315 HA 0.10 0.11 0.46 -0.75 4.29 4.21 1taqA1 GLU 315 HB2 0.18 -0.01 0.05 -0.04 2.09 2.26 1taqA1 GLU 315 HB3 0.26 0.04 -0.00 -0.04 1.99 2.25 1taqA1 GLU 315 HG2 -0.05 0.09 -0.00 -0.04 2.34 2.33 1taqA1 GLU 315 HG3 0.03 0.01 -0.04 -0.04 2.34 2.29 1taqA1 PRO 316 HA 0.10 0.05 0.24 -0.51 4.44 4.32 1taqA1 PRO 316 HB2 0.02 -0.01 0.01 -0.04 2.28 2.25 1taqA1 PRO 316 HB3 0.03 0.20 0.13 -0.04 2.02 2.34 1taqA1 PRO 316 HG2 0.08 -0.10 0.17 -0.04 2.03 2.13 1taqA1 PRO 316 HG3 0.13 0.04 0.10 -0.04 2.03 2.27 1taqA1 PRO 316 HD2 0.08 0.05 0.20 -0.04 3.68 3.98 1taqA1 PRO 316 HD3 0.09 0.28 0.44 -0.04 3.65 4.43 1taqA1 MET 317 H 0.09 0.10 -0.20 -0.55 8.47 7.91 1taqA1 MET 317 HA -0.16 0.16 0.44 -0.75 4.52 4.21 1taqA1 MET 317 HB2 -0.01 -0.05 0.08 -0.04 2.15 2.13 1taqA1 MET 317 HB3 -0.70 0.01 0.01 -0.04 2.03 1.31 1taqA1 MET 317 HG2 -0.16 -0.10 -0.07 -0.04 2.63 2.27 1taqA1 MET 317 HG3 -0.67 0.14 0.01 -0.04 2.56 1.99 1taqA1 MET 317 HE3 -0.85 0.02 0.04 -0.04 2.10 1.27 1taqA1 TRP 318 H 0.42 0.10 -0.32 -0.55 7.97 7.61 1taqA1 TRP 318 HA 0.14 0.14 0.53 -0.75 4.62 4.67 1taqA1 TRP 318 HB2 0.05 -0.02 0.01 -0.04 3.23 3.23 1taqA1 TRP 318 HB3 0.03 -0.04 0.16 -0.04 3.23 3.34 1taqA1 TRP 318 HD1 0.08 -0.08 -0.02 -0.04 7.22 7.15 1taqA1 TRP 318 HE1 0.18 0.06 0.05 -0.04 10.20 10.46 1taqA1 TRP 318 HE3 -0.06 -0.03 0.03 -0.04 7.59 7.49 1taqA1 TRP 318 HZ2 0.14 0.33 -0.29 -0.04 7.44 7.58 1taqA1 TRP 318 HZ3 -0.09 -0.02 0.00 -0.04 7.13 6.98 1taqA1 TRP 318 HH2 -0.00 0.22 -0.43 -0.04 7.19 6.94 1taqA1 ALA 319 H 0.14 0.39 -0.58 -0.55 8.40 7.81 1taqA1 ALA 319 HA 0.15 0.13 0.98 -0.75 4.34 4.84 1taqA1 ALA 319 HB3 0.12 -0.02 -0.08 -0.04 1.41 1.40 1taqA1 ASP 320 H 0.10 -0.05 0.21 -0.55 8.40 8.12 1taqA1 ASP 320 HA 0.17 0.23 0.81 -0.75 4.63 5.09 1taqA1 ASP 320 HB2 0.10 0.09 -0.05 -0.04 2.71 2.81 1taqA1 ASP 320 HB3 0.10 -0.11 0.15 -0.04 2.70 2.79 1taqA1 LEU 321 H -0.03 0.25 0.06 -0.55 8.37 8.10 1taqA1 LEU 321 HA -0.00 0.08 0.66 -0.75 4.35 4.33 1taqA1 LEU 321 HB2 -0.31 0.07 0.04 -0.04 1.64 1.39 1taqA1 LEU 321 HB3 -0.76 -0.03 0.13 -0.04 1.64 0.94 1taqA1 LEU 321 HG -0.19 -0.07 -0.31 -0.04 1.64 1.03 1taqA1 LEU 321 HD13 -0.01 0.02 -0.06 -0.04 0.93 0.84 1taqA1 LEU 321 HD23 -0.42 -0.00 -0.19 -0.04 0.89 0.23 1taqA1 LEU 322 H 0.04 0.46 0.47 -0.55 8.37 8.80 1taqA1 LEU 322 HA 0.06 0.06 0.53 -0.75 4.35 4.24 1taqA1 LEU 322 HB2 0.07 -0.01 -0.05 -0.04 1.64 1.61 1taqA1 LEU 322 HB3 0.11 -0.03 -0.04 -0.04 1.64 1.65 1taqA1 LEU 322 HG 0.07 0.04 -0.04 -0.04 1.64 1.67 1taqA1 LEU 322 HD13 0.15 -0.00 -0.17 -0.04 0.93 0.87 1taqA1 LEU 322 HD23 0.08 -0.01 -0.07 -0.04 0.89 0.85 1taqA1 ALA 323 H 0.02 0.38 0.20 -0.55 8.40 8.45 1taqA1 ALA 323 HA -0.04 0.22 0.62 -0.75 4.34 4.39 1taqA1 ALA 323 HB3 0.01 -0.00 -0.04 -0.04 1.41 1.33 1taqA1 LEU 324 H -0.09 0.34 0.13 -0.55 8.37 8.20 1taqA1 LEU 324 HA 0.05 0.22 0.92 -0.75 4.35 4.79 1taqA1 LEU 324 HB2 -0.13 -0.01 -0.12 -0.04 1.64 1.34 1taqA1 LEU 324 HB3 -0.29 -0.08 0.08 -0.04 1.64 1.31 1taqA1 LEU 324 HG -0.08 0.05 -0.22 -0.04 1.64 1.35 1taqA1 LEU 324 HD13 0.03 0.05 0.03 -0.04 0.93 1.01 1taqA1 LEU 324 HD23 -0.17 -0.00 -0.16 -0.04 0.89 0.52 1taqA1 ALA 325 H 0.11 0.73 0.31 -0.55 8.40 9.01 1taqA1 ALA 325 HA 0.24 0.17 0.92 -0.75 4.34 4.92 1taqA1 ALA 325 HB3 0.11 0.01 -0.21 -0.04 1.41 1.27 1taqA1 ALA 326 H 0.32 0.74 0.42 -0.55 8.40 9.33 1taqA1 ALA 326 HA 0.17 0.27 0.81 -0.75 4.34 4.83 1taqA1 ALA 326 HB3 0.05 0.02 -0.10 -0.04 1.41 1.34 1taqA1 ALA 327 H 0.13 0.52 0.26 -0.55 8.40 8.76 1taqA1 ALA 327 HA 0.16 0.39 0.90 -0.75 4.34 5.04 1taqA1 ALA 327 HB3 0.13 -0.02 -0.19 -0.04 1.41 1.29 1taqA1 ARG 328 H 0.13 0.48 0.03 -0.55 8.46 8.55 1taqA1 ARG 328 HA 0.09 0.06 0.61 -0.75 4.34 4.35 1taqA1 ARG 328 HB2 -0.05 0.04 -0.19 -0.04 1.90 1.66 1taqA1 ARG 328 HB3 0.04 0.02 0.01 -0.04 1.80 1.83 1taqA1 ARG 328 HG2 -0.06 0.07 -0.02 -0.04 1.67 1.62 1taqA1 ARG 328 HG3 -0.11 0.02 -0.18 -0.04 1.67 1.36 1taqA1 ARG 328 HD2 -0.01 -0.02 -0.11 -0.04 3.22 3.05 1taqA1 ARG 328 HD3 0.01 -0.07 -0.02 -0.04 3.22 3.10 1taqA1 GLY 329 H 0.09 0.20 0.10 -0.55 8.43 8.28 1taqA1 GLY 329 HA2 0.06 0.05 0.34 -0.51 4.01 3.94 1taqA1 GLY 329 HA3 0.05 0.12 0.36 -0.51 4.01 4.03 1taqA1 GLY 330 H 0.08 -0.04 -0.57 -0.55 8.43 7.36 1taqA1 GLY 330 HA2 0.05 -0.04 0.28 -0.51 4.01 3.79 1taqA1 GLY 330 HA3 0.04 0.20 0.74 -0.51 4.01 4.48 1taqA1 ARG 331 H 0.07 0.35 -0.28 -0.55 8.46 8.05 1taqA1 ARG 331 HA 0.02 0.36 0.66 -0.75 4.34 4.63 1taqA1 ARG 331 HB2 0.09 0.05 0.14 -0.04 1.90 2.14 1taqA1 ARG 331 HB3 -0.07 0.04 -0.19 -0.04 1.80 1.53 1taqA1 ARG 331 HG2 -0.01 -0.00 -0.11 -0.04 1.67 1.51 1taqA1 ARG 331 HG3 0.02 -0.05 -0.03 -0.04 1.67 1.57 1taqA1 ARG 331 HD2 -0.07 0.17 -0.18 -0.04 3.22 3.10 1taqA1 ARG 331 HD3 -0.01 -0.07 -0.05 -0.04 3.22 3.04 1taqA1 VAL 332 H 0.03 0.36 0.28 -0.55 8.24 8.37 1taqA1 VAL 332 HA 0.17 0.20 0.81 -0.75 4.13 4.56 1taqA1 VAL 332 HB 0.05 -0.02 0.04 -0.04 2.12 2.15 1taqA1 VAL 332 HG13 0.11 -0.03 -0.09 -0.04 0.97 0.92 1taqA1 VAL 332 HG23 0.06 0.01 -0.00 -0.04 0.95 0.98 1taqA1 HIS 333 H 0.32 0.71 0.45 -0.55 8.41 9.34 1taqA1 HIS 333 HA 0.11 0.26 0.88 -0.75 4.63 5.12 1taqA1 HIS 333 HB2 0.07 -0.19 0.13 -0.04 3.26 3.23 1taqA1 HIS 333 HB3 0.08 0.27 -0.03 -0.04 3.20 3.48 1taqA1 HIS 333 HD2 -0.15 0.47 -0.23 -0.04 6.97 7.01 1taqA1 HIS 333 HE1 -0.03 -0.05 -0.08 -0.04 7.75 7.55 1taqA1 ARG 334 H 0.25 0.29 0.09 -0.55 8.46 8.54 1taqA1 ARG 334 HA 0.21 0.09 1.07 -0.75 4.34 4.96 1taqA1 ARG 334 HB2 0.09 0.01 0.03 -0.04 1.90 1.99 1taqA1 ARG 334 HB3 0.04 0.07 -0.04 -0.04 1.80 1.83 1taqA1 ARG 334 HG2 0.07 -0.10 -0.09 -0.04 1.67 1.51 1taqA1 ARG 334 HG3 0.11 -0.03 -0.46 -0.04 1.67 1.25 1taqA1 ARG 334 HD2 0.04 0.06 -0.11 -0.04 3.22 3.17 1taqA1 ARG 334 HD3 0.03 0.04 -0.08 -0.04 3.22 3.17 1taqA1 ALA 335 H -0.22 0.56 0.29 -0.55 8.40 8.48 1taqA1 ALA 335 HA -0.55 0.11 0.57 -0.75 4.34 3.72 1taqA1 ALA 335 HB3 -1.21 -0.01 -0.04 -0.04 1.41 0.11 1taqA1 PRO 336 HA -0.05 0.11 0.47 -0.51 4.44 4.47 1taqA1 PRO 336 HB2 -0.02 0.02 0.01 -0.04 2.28 2.24 1taqA1 PRO 336 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 1taqA1 PRO 336 HG2 -0.08 -0.03 0.08 -0.04 2.03 1.96 1taqA1 PRO 336 HG3 0.03 0.04 0.09 -0.04 2.03 2.15 1taqA1 PRO 336 HD2 -0.34 0.07 0.22 -0.04 3.68 3.59 1taqA1 PRO 336 HD3 0.06 0.21 0.25 -0.04 3.65 4.13 1taqA1 GLU 337 H -0.21 0.14 -0.22 -0.55 8.60 7.76 1taqA1 GLU 337 HA -0.05 0.24 0.62 -0.75 4.29 4.34 1taqA1 GLU 337 HB2 -0.04 0.06 -0.14 -0.04 2.09 1.93 1taqA1 GLU 337 HB3 -0.05 -0.11 0.14 -0.04 1.99 1.93 1taqA1 GLU 337 HG2 0.00 0.12 0.08 -0.04 2.34 2.50 1taqA1 GLU 337 HG3 -0.00 0.02 0.01 -0.04 2.34 2.33 1taqA1 PRO 338 HA -0.29 0.04 0.29 -0.51 4.44 3.97 1taqA1 PRO 338 HB2 -0.19 0.09 -0.02 -0.04 2.28 2.12 1taqA1 PRO 338 HB3 -0.21 -0.00 -0.21 -0.04 2.02 1.56 1taqA1 PRO 338 HG2 -0.06 0.27 -0.33 -0.04 2.03 1.87 1taqA1 PRO 338 HG3 -0.13 -0.11 -0.04 -0.04 2.03 1.70 1taqA1 PRO 338 HD2 -0.01 0.13 0.11 -0.04 3.68 3.87 1taqA1 PRO 338 HD3 -0.08 0.27 -0.07 -0.04 3.65 3.72 1taqA1 TYR 339 H 0.16 0.15 -0.15 -0.55 8.29 7.89 1taqA1 TYR 339 HA -0.06 0.12 0.40 -0.75 4.56 4.27 1taqA1 TYR 339 HB2 -0.05 -0.06 0.07 -0.04 3.06 2.98 1taqA1 TYR 339 HB3 -0.04 0.10 -0.06 -0.04 2.98 2.94 1taqA1 TYR 339 HD2 -0.04 0.02 0.02 -0.04 7.15 7.11 1taqA1 TYR 339 HE2 -0.02 0.08 0.02 -0.04 6.85 6.88 1taqA1 LYS 340 H 0.05 0.10 -0.08 -0.55 8.42 7.94 1taqA1 LYS 340 HA 0.04 0.12 0.50 -0.75 4.32 4.22 1taqA1 LYS 340 HB2 0.01 -0.02 0.10 -0.04 1.87 1.92 1taqA1 LYS 340 HB3 -0.02 0.03 0.10 -0.04 1.79 1.86 1taqA1 LYS 340 HG2 0.04 0.02 -0.05 -0.04 1.46 1.43 1taqA1 LYS 340 HG3 0.02 0.00 0.02 -0.04 1.46 1.47 1taqA1 LYS 340 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.63 1taqA1 LYS 340 HD3 0.01 -0.01 -0.06 -0.04 1.68 1.58 1taqA1 LYS 340 HE2 0.08 0.03 -0.09 -0.04 2.99 2.96 1taqA1 LYS 340 HE3 0.05 -0.00 -0.03 -0.04 2.99 2.96 1taqA1 ALA 341 H -0.13 0.38 -0.26 -0.55 8.40 7.84 1taqA1 ALA 341 HA -0.02 0.01 0.26 -0.75 4.34 3.84 1taqA1 ALA 341 HB3 -0.78 0.01 -0.03 -0.04 1.41 0.56 1taqA1 LEU 342 H -0.06 0.38 -0.30 -0.55 8.37 7.84 1taqA1 LEU 342 HA 0.02 -0.02 0.35 -0.75 4.35 3.95 1taqA1 LEU 342 HB2 -0.02 0.22 0.05 -0.04 1.64 1.85 1taqA1 LEU 342 HB3 -0.03 -0.01 -0.07 -0.04 1.64 1.49 1taqA1 LEU 342 HG -0.18 0.05 -0.03 -0.04 1.64 1.43 1taqA1 LEU 342 HD13 -0.12 -0.01 -0.05 -0.04 0.93 0.72 1taqA1 LEU 342 HD23 -0.14 -0.03 -0.05 -0.04 0.89 0.63 1taqA1 ARG 343 H 0.05 0.45 -0.48 -0.55 8.46 7.93 1taqA1 ARG 343 HA 0.04 0.11 0.54 -0.75 4.34 4.28 1taqA1 ARG 343 HB2 0.06 0.28 0.13 -0.04 1.90 2.33 1taqA1 ARG 343 HB3 0.05 -0.08 0.07 -0.04 1.80 1.80 1taqA1 ARG 343 HG2 0.03 -0.08 0.04 -0.04 1.67 1.62 1taqA1 ARG 343 HG3 0.03 0.00 0.01 -0.04 1.67 1.67 1taqA1 ARG 343 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.18 1taqA1 ARG 343 HD3 0.04 0.01 0.19 -0.04 3.22 3.41 1taqA1 ASP 344 H 0.20 0.51 -0.39 -0.55 8.40 8.17 1taqA1 ASP 344 HA 0.08 0.11 0.65 -0.75 4.63 4.72 1taqA1 ASP 344 HB2 0.62 0.16 0.06 -0.04 2.71 3.51 1taqA1 ASP 344 HB3 0.07 -0.06 0.12 -0.04 2.70 2.80 1taqA1 LEU 345 H 0.08 0.33 -0.42 -0.55 8.37 7.82 1taqA1 LEU 345 HA -0.02 0.11 0.88 -0.75 4.35 4.58 1taqA1 LEU 345 HB2 0.03 0.11 -0.02 -0.04 1.64 1.72 1taqA1 LEU 345 HB3 0.00 0.01 0.03 -0.04 1.64 1.64 1taqA1 LEU 345 HG 0.27 0.02 -0.17 -0.04 1.64 1.72 1taqA1 LEU 345 HD13 0.12 -0.02 -0.08 -0.04 0.93 0.92 1taqA1 LEU 345 HD23 0.09 0.03 -0.13 -0.04 0.89 0.84 1taqA1 LYS 346 H -0.06 0.09 0.17 -0.55 8.42 8.07 1taqA1 LYS 346 HA -0.03 0.16 0.57 -0.75 4.32 4.26 1taqA1 LYS 346 HB2 -0.06 -0.00 0.10 -0.04 1.87 1.87 1taqA1 LYS 346 HB3 -0.07 -0.07 0.11 -0.04 1.79 1.72 1taqA1 LYS 346 HG2 -0.04 0.06 0.01 -0.04 1.46 1.45 1taqA1 LYS 346 HG3 -0.04 -0.01 0.04 -0.04 1.46 1.41 1taqA1 LYS 346 HD2 -0.06 -0.03 -0.02 -0.04 1.69 1.54 1taqA1 LYS 346 HD3 -0.08 -0.03 -0.06 -0.04 1.68 1.46 1taqA1 LYS 346 HE2 -0.05 0.04 -0.07 -0.04 2.99 2.87 1taqA1 LYS 346 HE3 -0.05 -0.01 -0.03 -0.04 2.99 2.87 1taqA1 GLU 347 H -0.06 0.15 0.01 -0.55 8.60 8.17 1taqA1 GLU 347 HA -0.05 0.16 0.42 -0.75 4.29 4.06 1taqA1 GLU 347 HB2 -0.07 0.18 -0.04 -0.04 2.09 2.13 1taqA1 GLU 347 HB3 -0.06 0.14 -0.16 -0.04 1.99 1.86 1taqA1 GLU 347 HG2 -0.09 -0.09 -0.24 -0.04 2.34 1.87 1taqA1 GLU 347 HG3 -0.11 -0.07 -0.33 -0.04 2.34 1.80 1taqA1 ALA 348 H -0.06 0.54 0.01 -0.55 8.40 8.35 1taqA1 ALA 348 HA -0.03 0.13 0.74 -0.75 4.34 4.42 1taqA1 ALA 348 HB3 -0.06 0.00 0.01 -0.04 1.41 1.32 1taqA1 ARG 349 H -0.04 0.28 0.16 -0.55 8.46 8.31 1taqA1 ARG 349 HA -0.05 0.17 0.91 -0.75 4.34 4.63 1taqA1 ARG 349 HB2 -0.22 -0.02 -0.08 -0.04 1.90 1.54 1taqA1 ARG 349 HB3 -0.30 0.17 0.19 -0.04 1.80 1.82 1taqA1 ARG 349 HG2 -0.78 -0.01 -0.19 -0.04 1.67 0.65 1taqA1 ARG 349 HG3 -0.31 -0.11 0.04 -0.04 1.67 1.24 1taqA1 ARG 349 HD2 -0.39 -0.03 -0.05 -0.04 3.22 2.71 1taqA1 ARG 349 HD3 -0.77 0.13 -0.19 -0.04 3.22 2.34 1taqA1 GLY 350 H 0.13 0.46 0.22 -0.55 8.43 8.69 1taqA1 GLY 350 HA2 0.36 0.01 0.31 -0.51 4.01 4.17 1taqA1 GLY 350 HA3 0.27 0.29 0.67 -0.51 4.01 4.73 1taqA1 LEU 351 H 0.21 0.21 0.20 -0.55 8.37 8.44 1taqA1 LEU 351 HA 0.11 -0.16 0.51 -0.75 4.35 4.06 1taqA1 LEU 351 HB2 0.31 0.12 0.12 -0.04 1.64 2.14 1taqA1 LEU 351 HB3 -0.03 -0.04 0.03 -0.04 1.64 1.57 1taqA1 LEU 351 HG 0.14 0.02 0.11 -0.04 1.64 1.87 1taqA1 LEU 351 HD13 0.31 0.05 -0.03 -0.04 0.93 1.22 1taqA1 LEU 351 HD23 -0.01 -0.05 -0.01 -0.04 0.89 0.78 1taqA1 LEU 352 H 0.06 0.02 0.21 -0.55 8.37 8.11 1taqA1 LEU 352 HA 0.09 -0.04 0.37 -0.75 4.35 4.01 1taqA1 LEU 352 HB2 0.23 0.20 -0.07 -0.04 1.64 1.97 1taqA1 LEU 352 HB3 0.18 -0.01 0.16 -0.04 1.64 1.93 1taqA1 LEU 352 HG -0.17 -0.09 -0.15 -0.04 1.64 1.20 1taqA1 LEU 352 HD13 -0.11 0.02 -0.01 -0.04 0.93 0.80 1taqA1 LEU 352 HD23 -0.08 -0.01 0.09 -0.04 0.89 0.85 1taqA1 ALA 353 H 0.13 0.19 -0.19 -0.55 8.40 7.99 1taqA1 ALA 353 HA 0.11 0.10 0.21 -0.75 4.34 4.01 1taqA1 ALA 353 HB3 0.06 0.07 0.01 -0.04 1.41 1.51 1taqA1 LYS 354 H 0.05 0.01 -0.18 -0.55 8.42 7.75 1taqA1 LYS 354 HA -0.02 0.14 0.35 -0.75 4.32 4.04 1taqA1 LYS 354 HB2 0.02 -0.04 0.12 -0.04 1.87 1.93 1taqA1 LYS 354 HB3 0.03 -0.05 0.05 -0.04 1.79 1.79 1taqA1 LYS 354 HG2 -0.02 0.07 0.12 -0.04 1.46 1.59 1taqA1 LYS 354 HG3 0.00 0.03 0.12 -0.04 1.46 1.58 1taqA1 LYS 354 HD2 0.03 -0.03 -0.24 -0.04 1.69 1.40 1taqA1 LYS 354 HD3 0.05 0.02 -0.16 -0.04 1.68 1.55 1taqA1 LYS 354 HE2 0.05 0.04 0.09 -0.04 2.99 3.12 1taqA1 LYS 354 HE3 0.04 -0.15 0.01 -0.04 2.99 2.85 1taqA1 ASP 355 H 0.09 0.10 -0.31 -0.55 8.40 7.73 1taqA1 ASP 355 HA 0.03 0.05 0.41 -0.75 4.63 4.37 1taqA1 ASP 355 HB2 0.29 0.15 0.12 -0.04 2.71 3.22 1taqA1 ASP 355 HB3 0.23 0.04 0.04 -0.04 2.70 2.96 1taqA1 LEU 356 H -0.13 0.37 -0.31 -0.55 8.37 7.76 1taqA1 LEU 356 HA -0.48 0.07 0.63 -0.75 4.35 3.82 1taqA1 LEU 356 HB2 -1.11 -0.00 0.00 -0.04 1.64 0.49 1taqA1 LEU 356 HB3 -0.31 0.10 0.04 -0.04 1.64 1.43 1taqA1 LEU 356 HG -0.32 0.01 -0.08 -0.04 1.64 1.21 1taqA1 LEU 356 HD13 -0.84 -0.01 -0.04 -0.04 0.93 0.00 1taqA1 LEU 356 HD23 -0.25 -0.00 -0.11 -0.04 0.89 0.49 1taqA1 SER 357 H -0.12 0.38 -0.03 -0.55 8.46 8.15 1taqA1 SER 357 HA -0.12 0.10 0.50 -0.75 4.49 4.21 1taqA1 SER 357 HB2 -0.09 0.01 0.15 -0.04 3.95 3.98 1taqA1 SER 357 HB3 -0.12 0.03 0.11 -0.04 3.93 3.91 1taqA1 VAL 358 H -0.09 0.31 -0.24 -0.55 8.24 7.68 1taqA1 VAL 358 HA -0.10 0.16 0.55 -0.75 4.13 3.99 1taqA1 VAL 358 HB -0.04 0.05 0.05 -0.04 2.12 2.15 1taqA1 VAL 358 HG13 -0.06 -0.00 -0.20 -0.04 0.97 0.67 1taqA1 VAL 358 HG23 -0.02 0.08 0.06 -0.04 0.95 1.03 1taqA1 LEU 359 H -0.11 0.23 -0.33 -0.55 8.37 7.62 1taqA1 LEU 359 HA -0.07 0.14 0.41 -0.75 4.35 4.08 1taqA1 LEU 359 HB2 -0.08 0.05 0.14 -0.04 1.64 1.71 1taqA1 LEU 359 HB3 -0.16 0.12 0.19 -0.04 1.64 1.74 1taqA1 LEU 359 HG -0.14 -0.10 -0.04 -0.04 1.64 1.31 1taqA1 LEU 359 HD13 -0.16 -0.03 -0.14 -0.04 0.93 0.55 1taqA1 LEU 359 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 1taqA1 ALA 360 H -0.12 0.63 0.02 -0.55 8.40 8.38 1taqA1 ALA 360 HA -0.05 -0.01 0.36 -0.75 4.34 3.88 1taqA1 ALA 360 HB3 -0.08 0.01 0.05 -0.04 1.41 1.35 1taqA1 LEU 361 H -0.10 0.37 -0.45 -0.55 8.37 7.65 1taqA1 LEU 361 HA -0.06 0.07 0.38 -0.75 4.35 3.98 1taqA1 LEU 361 HB2 -0.12 0.04 0.24 -0.04 1.64 1.76 1taqA1 LEU 361 HB3 -0.09 0.00 -0.03 -0.04 1.64 1.48 1taqA1 LEU 361 HG -0.19 0.14 0.05 -0.04 1.64 1.60 1taqA1 LEU 361 HD13 -0.37 -0.03 -0.14 -0.04 0.93 0.35 1taqA1 LEU 361 HD23 -0.11 -0.01 -0.07 -0.04 0.89 0.65 1taqA1 ARG 362 H -0.10 0.53 -0.08 -0.55 8.46 8.26 1taqA1 ARG 362 HA -0.12 0.03 0.42 -0.75 4.34 3.91 1taqA1 ARG 362 HB2 -0.18 0.06 0.23 -0.04 1.90 1.97 1taqA1 ARG 362 HB3 -0.08 0.12 0.18 -0.04 1.80 1.98 1taqA1 ARG 362 HG2 -0.16 -0.05 0.13 -0.04 1.67 1.54 1taqA1 ARG 362 HG3 -0.34 -0.03 0.12 -0.04 1.67 1.38 1taqA1 ARG 362 HD2 -0.03 -0.01 -0.16 -0.04 3.22 2.98 1taqA1 ARG 362 HD3 -0.02 -0.12 0.03 -0.04 3.22 3.06 1taqA1 GLU 363 H -0.03 0.40 -0.54 -0.55 8.60 7.88 1taqA1 GLU 363 HA 0.00 0.02 0.51 -0.75 4.29 4.07 1taqA1 GLU 363 HB2 0.02 0.03 0.14 -0.04 2.09 2.24 1taqA1 GLU 363 HB3 0.08 -0.09 0.15 -0.04 1.99 2.08 1taqA1 GLU 363 HG2 0.11 0.15 -0.02 -0.04 2.34 2.53 1taqA1 GLU 363 HG3 0.32 -0.14 -0.03 -0.04 2.34 2.45 1taqA1 GLY 364 H -0.03 0.62 -0.68 -0.55 8.43 7.79 1taqA1 GLY 364 HA2 -0.01 0.03 0.29 -0.51 4.01 3.81 1taqA1 GLY 364 HA3 -0.01 -0.08 0.40 -0.51 4.01 3.82 1taqA1 LEU 365 H -0.02 0.86 -0.13 -0.55 8.37 8.54 1taqA1 LEU 365 HA 0.00 0.07 0.77 -0.75 4.35 4.44 1taqA1 LEU 365 HB2 0.00 0.07 -0.11 -0.04 1.64 1.55 1taqA1 LEU 365 HB3 -0.02 -0.11 -0.09 -0.04 1.64 1.37 1taqA1 LEU 365 HG 0.01 -0.03 -0.11 -0.04 1.64 1.47 1taqA1 LEU 365 HD13 -0.01 -0.02 -0.29 -0.04 0.93 0.58 1taqA1 LEU 365 HD23 0.00 0.01 -0.04 -0.04 0.89 0.82 1taqA1 GLY 366 H 0.00 0.16 0.03 -0.55 8.43 8.07 1taqA1 GLY 366 HA2 -0.01 0.11 0.48 -0.51 4.01 4.09 1taqA1 GLY 366 HA3 0.02 -0.01 0.31 -0.51 4.01 3.82 1taqA1 LEU 367 H -0.05 0.36 -0.06 -0.55 8.37 8.07 1taqA1 LEU 367 HA -0.03 0.31 0.79 -0.75 4.35 4.66 1taqA1 LEU 367 HB2 -0.04 0.04 -0.21 -0.04 1.64 1.39 1taqA1 LEU 367 HB3 -0.07 -0.09 0.07 -0.04 1.64 1.50 1taqA1 LEU 367 HG -0.05 -0.17 -0.26 -0.04 1.64 1.12 1taqA1 LEU 367 HD13 -0.02 0.04 -0.36 -0.04 0.93 0.54 1taqA1 LEU 367 HD23 -0.06 -0.01 -0.18 -0.04 0.89 0.60 1taqA1 PRO 368 HA -0.06 0.11 0.59 -0.51 4.44 4.57 1taqA1 PRO 368 HB2 -0.03 0.06 -0.05 -0.04 2.28 2.22 1taqA1 PRO 368 HB3 0.01 0.03 0.05 -0.04 2.02 2.06 1taqA1 PRO 368 HG2 -0.03 -0.06 0.09 -0.04 2.03 1.98 1taqA1 PRO 368 HG3 -0.01 0.04 0.05 -0.04 2.03 2.06 1taqA1 PRO 368 HD2 -0.02 0.29 0.29 -0.04 3.68 4.19 1taqA1 PRO 368 HD3 -0.00 0.15 -0.15 -0.04 3.65 3.60 1taqA1 PRO 369 HA -0.04 0.09 0.55 -0.51 4.44 4.52 1taqA1 PRO 369 HB2 -0.04 0.04 -0.02 -0.04 2.28 2.22 1taqA1 PRO 369 HB3 -0.03 -0.15 -0.18 -0.04 2.02 1.62 1taqA1 PRO 369 HG2 -0.07 0.03 -0.36 -0.04 2.03 1.60 1taqA1 PRO 369 HG3 -0.07 0.06 0.02 -0.04 2.03 2.00 1taqA1 PRO 369 HD2 -0.06 0.08 0.20 -0.04 3.68 3.85 1taqA1 PRO 369 HD3 -0.08 0.17 0.27 -0.04 3.65 3.97 1taqA1 GLY 370 H -0.04 0.74 0.27 -0.55 8.43 8.85 1taqA1 GLY 370 HA2 -0.08 0.19 0.66 -0.51 4.01 4.27 1taqA1 GLY 370 HA3 -0.09 -0.05 0.31 -0.51 4.01 3.67 1taqA1 ASP 371 H -0.13 0.11 0.12 -0.55 8.40 7.95 1taqA1 ASP 371 HA 0.19 0.06 0.41 -0.75 4.63 4.54 1taqA1 ASP 371 HB2 -0.35 0.01 0.04 -0.04 2.71 2.37 1taqA1 ASP 371 HB3 -0.15 -0.04 -0.12 -0.04 2.70 2.35 1taqA1 ASP 372 H 0.41 0.25 0.10 -0.55 8.40 8.61 1taqA1 ASP 372 HA 0.21 0.19 0.58 -0.75 4.63 4.86 1taqA1 ASP 372 HB2 0.13 0.23 -0.16 -0.04 2.71 2.86 1taqA1 ASP 372 HB3 0.18 -0.03 0.11 -0.04 2.70 2.92 1taqA1 PRO 373 HA 0.18 0.13 0.42 -0.51 4.44 4.65 1taqA1 PRO 373 HB2 0.10 -0.04 -0.05 -0.04 2.28 2.25 1taqA1 PRO 373 HB3 0.09 0.12 -0.15 -0.04 2.02 2.04 1taqA1 PRO 373 HG2 0.09 0.14 0.10 -0.04 2.03 2.32 1taqA1 PRO 373 HG3 0.27 0.09 -0.02 -0.04 2.03 2.34 1taqA1 PRO 373 HD2 0.17 0.00 -0.02 -0.04 3.68 3.80 1taqA1 PRO 373 HD3 0.26 0.24 -0.03 -0.04 3.65 4.08 1taqA1 MET 374 H 0.10 0.07 -0.28 -0.55 8.47 7.82 1taqA1 MET 374 HA 0.07 0.11 0.34 -0.75 4.52 4.29 1taqA1 MET 374 HB2 0.05 -0.05 0.02 -0.04 2.15 2.13 1taqA1 MET 374 HB3 0.01 0.10 -0.12 -0.04 2.03 1.98 1taqA1 MET 374 HG2 -0.02 -0.04 -0.00 -0.04 2.63 2.52 1taqA1 MET 374 HG3 -0.07 -0.03 0.01 -0.04 2.56 2.43 1taqA1 MET 374 HE3 -0.01 -0.01 -0.34 -0.04 2.10 1.70 1taqA1 LEU 375 H 0.17 0.20 -0.24 -0.55 8.37 7.96 1taqA1 LEU 375 HA 0.19 0.11 0.38 -0.75 4.35 4.28 1taqA1 LEU 375 HB2 0.49 0.11 0.08 -0.04 1.64 2.28 1taqA1 LEU 375 HB3 0.42 0.03 -0.03 -0.04 1.64 2.02 1taqA1 LEU 375 HG 0.18 -0.12 0.04 -0.04 1.64 1.70 1taqA1 LEU 375 HD13 0.13 0.01 -0.13 -0.04 0.93 0.90 1taqA1 LEU 375 HD23 0.08 -0.01 -0.10 -0.04 0.89 0.83 1taqA1 LEU 376 H 0.10 0.18 -0.26 -0.55 8.37 7.84 1taqA1 LEU 376 HA -0.12 0.08 0.43 -0.75 4.35 3.99 1taqA1 LEU 376 HB2 -0.06 0.11 0.12 -0.04 1.64 1.78 1taqA1 LEU 376 HB3 -0.16 0.03 -0.05 -0.04 1.64 1.42 1taqA1 LEU 376 HG -0.03 0.02 0.02 -0.04 1.64 1.61 1taqA1 LEU 376 HD13 -0.36 0.00 -0.07 -0.04 0.93 0.46 1taqA1 LEU 376 HD23 -0.63 0.01 -0.06 -0.04 0.89 0.16 1taqA1 ALA 377 H 0.05 0.57 -0.05 -0.55 8.40 8.42 1taqA1 ALA 377 HA -0.00 0.05 0.39 -0.75 4.34 4.01 1taqA1 ALA 377 HB3 0.12 -0.00 0.05 -0.04 1.41 1.54 1taqA1 TYR 378 H 0.21 0.47 -0.28 -0.55 8.29 8.14 1taqA1 TYR 378 HA 0.05 0.13 0.29 -0.75 4.56 4.28 1taqA1 TYR 378 HB2 0.05 0.01 0.11 -0.04 3.06 3.19 1taqA1 TYR 378 HB3 0.07 0.03 0.05 -0.04 2.98 3.08 1taqA1 TYR 378 HD2 0.06 0.13 -0.06 -0.04 7.15 7.24 1taqA1 TYR 378 HE2 0.05 0.11 -0.10 -0.04 6.85 6.87 1taqA1 LEU 379 H 0.10 0.29 -0.35 -0.55 8.37 7.86 1taqA1 LEU 379 HA -0.05 0.07 0.54 -0.75 4.35 4.15 1taqA1 LEU 379 HB2 0.01 0.09 0.19 -0.04 1.64 1.89 1taqA1 LEU 379 HB3 0.01 -0.06 -0.01 -0.04 1.64 1.54 1taqA1 LEU 379 HG 0.18 0.15 0.07 -0.04 1.64 2.00 1taqA1 LEU 379 HD13 0.15 -0.04 -0.02 -0.04 0.93 0.98 1taqA1 LEU 379 HD23 0.11 -0.01 -0.01 -0.04 0.89 0.93 1taqA1 LEU 380 H -0.02 0.52 0.01 -0.55 8.37 8.33 1taqA1 LEU 380 HA -0.03 -0.02 0.45 -0.75 4.35 4.00 1taqA1 LEU 380 HB2 -0.04 0.09 0.17 -0.04 1.64 1.82 1taqA1 LEU 380 HB3 -0.05 -0.04 0.04 -0.04 1.64 1.55 1taqA1 LEU 380 HG -0.11 0.02 0.09 -0.04 1.64 1.61 1taqA1 LEU 380 HD13 -0.19 -0.03 0.02 -0.04 0.93 0.69 1taqA1 LEU 380 HD23 -0.10 -0.02 0.00 -0.04 0.89 0.74 1taqA1 ASP 381 H -0.01 0.26 -0.62 -0.55 8.40 7.49 1taqA1 ASP 381 HA 0.09 0.14 0.45 -0.75 4.63 4.56 1taqA1 ASP 381 HB2 -0.03 0.18 -0.33 -0.04 2.71 2.49 1taqA1 ASP 381 HB3 0.04 -0.08 0.02 -0.04 2.70 2.64 1taqA1 PRO 382 HA -0.34 0.09 0.32 -0.51 4.44 4.01 1taqA1 PRO 382 HB2 -0.05 -0.06 0.06 -0.04 2.28 2.19 1taqA1 PRO 382 HB3 -0.37 0.04 0.11 -0.04 2.02 1.76 1taqA1 PRO 382 HG2 -0.12 0.06 0.14 -0.04 2.03 2.08 1taqA1 PRO 382 HG3 -0.37 0.12 0.15 -0.04 2.03 1.89 1taqA1 PRO 382 HD2 0.03 -0.09 0.14 -0.04 3.68 3.72 1taqA1 PRO 382 HD3 -0.02 0.26 0.17 -0.04 3.65 4.03 1taqA1 SER 383 H 0.04 0.27 -0.81 -0.55 8.46 7.40 1taqA1 SER 383 HA 0.06 0.15 0.73 -0.75 4.49 4.68 1taqA1 SER 383 HB2 0.02 -0.06 0.09 -0.04 3.95 3.96 1taqA1 SER 383 HB3 0.04 0.02 -0.02 -0.04 3.93 3.93 1taqA1 ASN 384 H 0.10 0.67 0.17 -0.55 8.53 8.92 1taqA1 ASN 384 HA 0.06 -0.02 0.60 -0.75 4.76 4.64 1taqA1 ASN 384 HB2 0.14 0.32 -0.03 -0.04 2.88 3.27 1taqA1 ASN 384 HB3 0.13 -0.17 -0.11 -0.04 2.79 2.61 1taqA1 ASN 384 HD21 0.27 -0.04 -0.02 -0.04 7.03 7.19 1taqA1 ASN 384 HD22 0.13 0.46 0.07 -0.04 7.74 8.36 1taqA1 THR 385 H 0.04 0.12 0.03 -0.55 8.28 7.93 1taqA1 THR 385 HA 0.05 0.17 0.91 -0.75 4.39 4.77 1taqA1 THR 385 HB 0.01 -0.06 0.05 -0.04 4.32 4.28 1taqA1 THR 385 HG23 0.14 0.01 -0.33 -0.04 1.22 1.00 1taqA1 THR 386 H -0.03 0.10 0.14 -0.55 8.28 7.94 1taqA1 THR 386 HA -0.12 0.34 1.03 -0.75 4.39 4.88 1taqA1 THR 386 HB -0.14 -0.04 0.08 -0.04 4.32 4.18 1taqA1 THR 386 HG23 -0.05 0.05 -0.12 -0.04 1.22 1.06 1taqA1 PRO 387 HA -0.28 0.07 0.40 -0.51 4.44 4.12 1taqA1 PRO 387 HB2 -1.69 0.06 0.07 -0.04 2.28 0.68 1taqA1 PRO 387 HB3 -1.28 0.06 0.05 -0.04 2.02 0.81 1taqA1 PRO 387 HG2 -0.73 0.13 0.07 -0.04 2.03 1.46 1taqA1 PRO 387 HG3 -0.43 -0.01 0.05 -0.04 2.03 1.59 1taqA1 PRO 387 HD2 -0.39 0.13 0.23 -0.04 3.68 3.62 1taqA1 PRO 387 HD3 -0.24 0.24 0.22 -0.04 3.65 3.82 1taqA1 GLU 388 H -0.37 0.17 -0.09 -0.55 8.60 7.76 1taqA1 GLU 388 HA 0.08 0.07 0.40 -0.75 4.29 4.07 1taqA1 GLU 388 HB2 -0.05 -0.07 0.07 -0.04 2.09 1.99 1taqA1 GLU 388 HB3 0.04 0.09 0.02 -0.04 1.99 2.09 1taqA1 GLU 388 HG2 0.10 0.08 0.04 -0.04 2.34 2.52 1taqA1 GLU 388 HG3 0.14 0.04 0.07 -0.04 2.34 2.55 1taqA1 GLY 389 H -0.07 0.02 -0.31 -0.55 8.43 7.52 1taqA1 GLY 389 HA2 -0.03 0.11 0.40 -0.51 4.01 3.98 1taqA1 GLY 389 HA3 -0.04 0.05 0.26 -0.51 4.01 3.76 1taqA1 VAL 390 H -0.05 0.57 0.00 -0.55 8.24 8.21 1taqA1 VAL 390 HA 0.00 0.09 0.44 -0.75 4.13 3.91 1taqA1 VAL 390 HB 0.00 -0.05 0.05 -0.04 2.12 2.09 1taqA1 VAL 390 HG13 0.20 0.01 -0.16 -0.04 0.97 0.98 1taqA1 VAL 390 HG23 0.03 0.08 -0.10 -0.04 0.95 0.92 1taqA1 ALA 391 H 0.01 0.60 -0.18 -0.55 8.40 8.29 1taqA1 ALA 391 HA 0.10 0.03 0.12 -0.75 4.34 3.84 1taqA1 ALA 391 HB3 0.14 -0.02 -0.15 -0.04 1.41 1.34 1taqA1 ARG 392 H 0.01 0.34 -0.21 -0.55 8.46 8.04 1taqA1 ARG 392 HA 0.01 0.22 0.54 -0.75 4.34 4.36 1taqA1 ARG 392 HB2 -0.02 0.01 0.20 -0.04 1.90 2.05 1taqA1 ARG 392 HB3 -0.03 -0.01 -0.02 -0.04 1.80 1.70 1taqA1 ARG 392 HG2 0.02 0.04 0.11 -0.04 1.67 1.80 1taqA1 ARG 392 HG3 0.04 -0.03 0.11 -0.04 1.67 1.76 1taqA1 ARG 392 HD2 0.00 -0.00 0.01 -0.04 3.22 3.18 1taqA1 ARG 392 HD3 0.02 -0.02 0.02 -0.04 3.22 3.20 1taqA1 ARG 393 H -0.14 0.50 -0.15 -0.55 8.46 8.12 1taqA1 ARG 393 HA -0.20 -0.00 0.41 -0.75 4.34 3.79 1taqA1 ARG 393 HB2 -0.27 0.05 0.17 -0.04 1.90 1.80 1taqA1 ARG 393 HB3 -0.70 0.07 0.13 -0.04 1.80 1.27 1taqA1 ARG 393 HG2 -0.70 0.01 -0.05 -0.04 1.67 0.89 1taqA1 ARG 393 HG3 -0.28 -0.05 0.05 -0.04 1.67 1.35 1taqA1 ARG 393 HD2 -0.24 -0.04 -0.04 -0.04 3.22 2.87 1taqA1 ARG 393 HD3 -0.72 0.00 -0.04 -0.04 3.22 2.42 1taqA1 TYR 394 H -0.11 0.38 -0.33 -0.55 8.29 7.68 1taqA1 TYR 394 HA -0.00 0.20 0.92 -0.75 4.56 4.92 1taqA1 TYR 394 HB2 0.00 -0.01 0.04 -0.04 3.06 3.05 1taqA1 TYR 394 HB3 -0.00 -0.03 0.13 -0.04 2.98 3.03 1taqA1 TYR 394 HD2 -0.01 0.03 -0.05 -0.04 7.15 7.08 1taqA1 TYR 394 HE2 -0.03 -0.03 -0.04 -0.04 6.85 6.71 1taqA1 GLY 395 H 0.02 0.32 -0.34 -0.55 8.43 7.88 1taqA1 GLY 395 HA2 0.03 0.01 0.32 -0.51 4.01 3.86 1taqA1 GLY 395 HA3 0.05 0.00 0.41 -0.51 4.01 3.97 1taqA1 GLY 396 H 0.04 0.41 0.20 -0.55 8.43 8.53 1taqA1 GLY 396 HA2 0.05 0.07 0.47 -0.51 4.01 4.09 1taqA1 GLY 396 HA3 0.07 -0.03 0.25 -0.51 4.01 3.79 1taqA1 GLU 397 H 0.08 0.23 0.07 -0.55 8.60 8.43 1taqA1 GLU 397 HA 0.11 0.08 0.44 -0.75 4.29 4.16 1taqA1 GLU 397 HB2 0.05 0.13 -0.25 -0.04 2.09 1.98 1taqA1 GLU 397 HB3 0.04 -0.03 -0.06 -0.04 1.99 1.90 1taqA1 GLU 397 HG2 0.07 0.01 -0.34 -0.04 2.34 2.04 1taqA1 GLU 397 HG3 0.06 0.02 0.02 -0.04 2.34 2.40 1taqA1 TRP 398 H 0.27 0.20 0.03 -0.55 7.97 7.92 1taqA1 TRP 398 HA -0.01 0.06 0.57 -0.75 4.62 4.48 1taqA1 TRP 398 HB2 -0.01 0.01 -0.15 -0.04 3.23 3.05 1taqA1 TRP 398 HB3 -0.01 -0.02 0.16 -0.04 3.23 3.31 1taqA1 TRP 398 HD1 -0.03 -0.03 -0.02 -0.04 7.22 7.11 1taqA1 TRP 398 HE1 -0.06 0.00 -0.04 -0.04 10.20 10.06 1taqA1 TRP 398 HE3 -0.02 0.00 -0.05 -0.04 7.59 7.48 1taqA1 TRP 398 HZ2 -0.16 0.03 -0.03 -0.04 7.44 7.24 1taqA1 TRP 398 HZ3 -0.05 0.02 -0.00 -0.04 7.13 7.06 1taqA1 TRP 398 HH2 -0.21 0.07 -0.07 -0.04 7.19 6.94 1taqA1 THR 399 H -0.26 0.17 0.08 -0.55 8.28 7.72 1taqA1 THR 399 HA -0.16 0.21 0.60 -0.75 4.39 4.28 1taqA1 THR 399 HB -0.13 -0.10 0.14 -0.04 4.32 4.18 1taqA1 THR 399 HG23 -0.05 0.08 -0.09 -0.04 1.22 1.12 1taqA1 GLU 400 H -0.19 0.19 0.04 -0.55 8.60 8.10 1taqA1 GLU 400 HA -0.46 0.24 0.79 -0.75 4.29 4.10 1taqA1 GLU 400 HB2 -0.09 0.04 0.03 -0.04 2.09 2.03 1taqA1 GLU 400 HB3 -0.34 0.01 0.14 -0.04 1.99 1.76 1taqA1 GLU 400 HG2 -0.14 -0.05 -0.24 -0.04 2.34 1.87 1taqA1 GLU 400 HG3 -0.06 0.01 -0.04 -0.04 2.34 2.21 1taqA1 GLU 401 H -0.24 0.09 -0.19 -0.55 8.60 7.72 1taqA1 GLU 401 HA -0.06 0.26 0.84 -0.75 4.29 4.57 1taqA1 GLU 401 HB2 -0.05 0.08 -0.08 -0.04 2.09 1.99 1taqA1 GLU 401 HB3 -0.07 -0.16 0.07 -0.04 1.99 1.79 1taqA1 GLU 401 HG2 -0.00 0.09 -0.01 -0.04 2.34 2.37 1taqA1 GLU 401 HG3 -0.01 0.16 -0.07 -0.04 2.34 2.38 1taqA1 ALA 402 H -0.07 0.30 -0.05 -0.55 8.40 8.03 1taqA1 ALA 402 HA -0.10 0.03 -0.06 -0.75 4.34 3.44 1taqA1 ALA 402 HB3 0.00 0.05 -0.29 -0.04 1.41 1.13 1taqA1 GLY 403 H -0.01 0.10 -0.45 -0.55 8.43 7.53 1taqA1 GLY 403 HA2 0.06 0.12 0.34 -0.51 4.01 4.02 1taqA1 GLY 403 HA3 0.03 0.13 0.17 -0.51 4.01 3.83 1taqA1 GLU 404 H -0.05 0.24 -0.15 -0.55 8.60 8.09 1taqA1 GLU 404 HA -0.01 0.14 0.60 -0.75 4.29 4.27 1taqA1 GLU 404 HB2 -0.10 -0.07 0.10 -0.04 2.09 1.98 1taqA1 GLU 404 HB3 -0.05 0.04 0.07 -0.04 1.99 2.01 1taqA1 GLU 404 HG2 -0.01 0.13 0.00 -0.04 2.34 2.42 1taqA1 GLU 404 HG3 -0.02 -0.08 -0.06 -0.04 2.34 2.14 1taqA1 ARG 405 H -0.13 0.49 -0.20 -0.55 8.46 8.07 1taqA1 ARG 405 HA -0.05 0.05 0.40 -0.75 4.34 3.98 1taqA1 ARG 405 HB2 -0.16 0.02 -0.04 -0.04 1.90 1.67 1taqA1 ARG 405 HB3 -0.34 -0.01 0.04 -0.04 1.80 1.44 1taqA1 ARG 405 HG2 -0.43 -0.15 -0.18 -0.04 1.67 0.87 1taqA1 ARG 405 HG3 -0.38 -0.02 -0.56 -0.04 1.67 0.66 1taqA1 ARG 405 HD2 -2.37 -0.08 -0.08 -0.04 3.22 0.65 1taqA1 ARG 405 HD3 -1.08 0.29 -0.33 -0.04 3.22 2.06 1taqA1 ALA 406 H 0.02 0.25 -0.53 -0.55 8.40 7.60 1taqA1 ALA 406 HA 0.14 0.16 0.22 -0.75 4.34 4.11 1taqA1 ALA 406 HB3 0.12 0.09 -0.13 -0.04 1.41 1.46 1taqA1 ALA 407 H 0.05 0.43 -0.08 -0.55 8.40 8.26 1taqA1 ALA 407 HA 0.05 0.01 0.44 -0.75 4.34 4.08 1taqA1 ALA 407 HB3 0.04 0.05 0.11 -0.04 1.41 1.57 1taqA1 LEU 408 H 0.04 0.61 -0.18 -0.55 8.37 8.29 1taqA1 LEU 408 HA 0.04 0.05 0.40 -0.75 4.35 4.09 1taqA1 LEU 408 HB2 0.07 0.10 0.14 -0.04 1.64 1.91 1taqA1 LEU 408 HB3 0.11 0.02 0.10 -0.04 1.64 1.84 1taqA1 LEU 408 HG 0.14 -0.06 -0.34 -0.04 1.64 1.34 1taqA1 LEU 408 HD13 0.09 -0.03 -0.01 -0.04 0.93 0.94 1taqA1 LEU 408 HD23 0.31 0.04 -0.20 -0.04 0.89 1.00 1taqA1 SER 409 H 0.07 0.41 -0.48 -0.55 8.46 7.90 1taqA1 SER 409 HA 0.04 -0.10 0.44 -0.75 4.49 4.12 1taqA1 SER 409 HB2 0.11 0.26 0.23 -0.04 3.95 4.51 1taqA1 SER 409 HB3 0.10 -0.09 0.15 -0.04 3.93 4.05 1taqA1 GLU 410 H -0.14 0.38 -0.52 -0.55 8.60 7.77 1taqA1 GLU 410 HA -1.35 0.08 0.60 -0.75 4.29 2.87 1taqA1 GLU 410 HB2 -0.08 0.07 0.09 -0.04 2.09 2.13 1taqA1 GLU 410 HB3 -0.07 0.11 0.15 -0.04 1.99 2.14 1taqA1 GLU 410 HG2 -0.05 -0.03 -0.13 -0.04 2.34 2.10 1taqA1 GLU 410 HG3 0.09 0.04 0.04 -0.04 2.34 2.48 1taqA1 ARG 411 H -0.06 0.58 0.12 -0.55 8.46 8.54 1taqA1 ARG 411 HA -0.01 0.04 0.58 -0.75 4.34 4.19 1taqA1 ARG 411 HB2 0.01 0.06 0.17 -0.04 1.90 2.10 1taqA1 ARG 411 HB3 0.02 0.05 0.07 -0.04 1.80 1.89 1taqA1 ARG 411 HG2 0.02 -0.03 0.06 -0.04 1.67 1.67 1taqA1 ARG 411 HG3 0.01 0.00 0.05 -0.04 1.67 1.69 1taqA1 ARG 411 HD2 0.02 0.06 0.04 -0.04 3.22 3.30 1taqA1 ARG 411 HD3 0.02 -0.01 0.02 -0.04 3.22 3.20 1taqA1 LEU 412 H -0.02 0.58 -0.14 -0.55 8.37 8.24 1taqA1 LEU 412 HA 0.01 0.12 0.38 -0.75 4.35 4.10 1taqA1 LEU 412 HB2 0.03 0.07 0.02 -0.04 1.64 1.72 1taqA1 LEU 412 HB3 0.04 -0.11 -0.11 -0.04 1.64 1.42 1taqA1 LEU 412 HG 0.07 0.13 -0.02 -0.04 1.64 1.78 1taqA1 LEU 412 HD13 0.10 -0.06 -0.17 -0.04 0.93 0.76 1taqA1 LEU 412 HD23 0.13 0.02 -0.13 -0.04 0.89 0.86 1taqA1 PHE 413 H -0.03 0.31 -0.43 -0.55 8.34 7.64 1taqA1 PHE 413 HA -0.01 -0.03 0.55 -0.75 4.62 4.37 1taqA1 PHE 413 HB2 -0.25 0.11 0.12 -0.04 3.15 3.08 1taqA1 PHE 413 HB3 -0.28 0.14 0.06 -0.04 3.06 2.94 1taqA1 PHE 413 HD2 0.07 -0.02 -0.19 -0.04 7.28 7.10 1taqA1 PHE 413 HE2 -0.28 -0.02 -0.07 -0.04 7.38 6.97 1taqA1 PHE 413 HZ -0.83 0.03 -0.03 -0.04 7.32 6.46 1taqA1 ALA 414 H 0.04 0.46 -0.21 -0.55 8.40 8.14 1taqA1 ALA 414 HA 0.12 0.01 0.43 -0.75 4.34 4.15 1taqA1 ALA 414 HB3 0.05 0.03 0.17 -0.04 1.41 1.62 1taqA1 ASN 415 H -0.01 0.71 0.07 -0.55 8.53 8.75 1taqA1 ASN 415 HA -0.03 -0.00 0.30 -0.75 4.76 4.27 1taqA1 ASN 415 HB2 -0.05 0.02 0.16 -0.04 2.88 2.96 1taqA1 ASN 415 HB3 -0.08 -0.03 0.01 -0.04 2.79 2.66 1taqA1 ASN 415 HD21 0.03 -0.03 0.03 -0.04 7.03 7.03 1taqA1 ASN 415 HD22 0.05 0.12 0.04 -0.04 7.74 7.90 1taqA1 LEU 416 H -0.13 0.49 -0.33 -0.55 8.37 7.86 1taqA1 LEU 416 HA -0.22 0.08 0.56 -0.75 4.35 4.01 1taqA1 LEU 416 HB2 -0.17 0.37 0.20 -0.04 1.64 2.00 1taqA1 LEU 416 HB3 -0.19 -0.12 -0.06 -0.04 1.64 1.23 1taqA1 LEU 416 HG -0.35 -0.03 -0.03 -0.04 1.64 1.19 1taqA1 LEU 416 HD13 -0.76 0.02 -0.09 -0.04 0.93 0.06 1taqA1 LEU 416 HD23 -0.11 -0.01 -0.01 -0.04 0.89 0.72 1taqA1 TRP 417 H -0.18 0.76 0.03 -0.55 7.97 8.03 1taqA1 TRP 417 HA -0.41 -0.05 0.48 -0.75 4.62 3.88 1taqA1 TRP 417 HB2 -1.22 -0.02 0.16 -0.04 3.23 2.11 1taqA1 TRP 417 HB3 -0.34 0.13 0.16 -0.04 3.23 3.13 1taqA1 TRP 417 HD1 -0.02 0.03 -0.12 -0.04 7.22 7.08 1taqA1 TRP 417 HE1 0.05 0.01 -0.04 -0.04 10.20 10.18 1taqA1 TRP 417 HE3 -0.49 -0.04 0.01 -0.04 7.59 7.03 1taqA1 TRP 417 HZ2 0.10 0.02 -0.02 -0.04 7.44 7.50 1taqA1 TRP 417 HZ3 -0.13 -0.04 -0.03 -0.04 7.13 6.89 1taqA1 TRP 417 HH2 0.20 0.03 -0.02 -0.04 7.19 7.36 1taqA1 GLY 418 H -0.02 0.47 -0.28 -0.55 8.43 8.06 1taqA1 GLY 418 HA2 -0.09 -0.01 0.28 -0.51 4.01 3.68 1taqA1 GLY 418 HA3 -0.05 0.10 0.24 -0.51 4.01 3.79 1taqA1 ARG 419 H -0.18 0.29 -0.48 -0.55 8.46 7.53 1taqA1 ARG 419 HA -0.13 0.11 0.72 -0.75 4.34 4.29 1taqA1 ARG 419 HB2 -0.18 -0.03 0.21 -0.04 1.90 1.86 1taqA1 ARG 419 HB3 -0.13 -0.01 0.05 -0.04 1.80 1.68 1taqA1 ARG 419 HG2 -0.14 0.14 0.09 -0.04 1.67 1.73 1taqA1 ARG 419 HG3 -0.17 -0.03 0.05 -0.04 1.67 1.48 1taqA1 ARG 419 HD2 -0.08 0.01 -0.02 -0.04 3.22 3.09 1taqA1 ARG 419 HD3 -0.08 -0.03 0.01 -0.04 3.22 3.07 1taqA1 LEU 420 H -0.24 0.41 0.15 -0.55 8.37 8.14 1taqA1 LEU 420 HA -0.20 0.00 0.35 -0.75 4.35 3.75 1taqA1 LEU 420 HB2 -0.24 0.03 0.16 -0.04 1.64 1.56 1taqA1 LEU 420 HB3 -0.45 0.06 0.15 -0.04 1.64 1.36 1taqA1 LEU 420 HG -0.23 -0.05 -0.03 -0.04 1.64 1.29 1taqA1 LEU 420 HD13 -0.13 -0.00 0.01 -0.04 0.93 0.76 1taqA1 LEU 420 HD23 -0.45 -0.01 -0.09 -0.04 0.89 0.30 1taqA1 GLU 421 H -0.55 0.53 -0.45 -0.55 8.60 7.58 1taqA1 GLU 421 HA -0.65 -0.05 0.29 -0.75 4.29 3.12 1taqA1 GLU 421 HB2 -0.39 0.10 -0.05 -0.04 2.09 1.71 1taqA1 GLU 421 HB3 -0.28 -0.05 -0.13 -0.04 1.99 1.48 1taqA1 GLU 421 HG2 -1.89 -0.03 0.03 -0.04 2.34 0.41 1taqA1 GLU 421 HG3 -0.59 -0.06 -0.14 -0.04 2.34 1.51 1taqA1 GLY 422 H -0.19 0.55 -0.22 -0.55 8.43 8.02 1taqA1 GLY 422 HA2 -0.09 0.02 0.54 -0.51 4.01 3.96 1taqA1 GLY 422 HA3 -0.09 0.01 0.36 -0.51 4.01 3.78 1taqA1 GLU 423 H -0.16 0.69 -0.52 -0.55 8.60 8.07 1taqA1 GLU 423 HA -0.05 0.11 0.98 -0.75 4.29 4.58 1taqA1 GLU 423 HB2 -0.10 0.08 0.25 -0.04 2.09 2.29 1taqA1 GLU 423 HB3 -0.05 -0.15 0.09 -0.04 1.99 1.85 1taqA1 GLU 423 HG2 -0.08 0.02 -0.55 -0.04 2.34 1.69 1taqA1 GLU 423 HG3 -0.09 -0.00 -0.11 -0.04 2.34 2.10 1taqA1 GLU 424 H -0.01 0.23 0.11 -0.55 8.60 8.38 1taqA1 GLU 424 HA 0.02 0.12 0.39 -0.75 4.29 4.07 1taqA1 GLU 424 HB2 0.02 0.00 0.08 -0.04 2.09 2.16 1taqA1 GLU 424 HB3 0.05 0.02 0.04 -0.04 1.99 2.06 1taqA1 GLU 424 HG2 -0.00 0.03 0.04 -0.04 2.34 2.37 1taqA1 GLU 424 HG3 0.02 0.01 0.03 -0.04 2.34 2.35 1taqA1 ARG 425 H 0.03 0.10 -0.10 -0.55 8.46 7.94 1taqA1 ARG 425 HA 0.12 0.14 0.57 -0.75 4.34 4.43 1taqA1 ARG 425 HB2 0.04 -0.01 0.09 -0.04 1.90 1.98 1taqA1 ARG 425 HB3 0.08 0.16 0.11 -0.04 1.80 2.11 1taqA1 ARG 425 HG2 0.02 -0.12 -0.00 -0.04 1.67 1.53 1taqA1 ARG 425 HG3 0.03 0.02 0.03 -0.04 1.67 1.71 1taqA1 ARG 425 HD2 -0.01 0.09 -0.00 -0.04 3.22 3.26 1taqA1 ARG 425 HD3 -0.02 -0.03 -0.03 -0.04 3.22 3.10 1taqA1 LEU 426 H 0.03 0.10 -0.22 -0.55 8.37 7.73 1taqA1 LEU 426 HA 0.09 0.10 0.49 -0.75 4.35 4.28 1taqA1 LEU 426 HB2 -0.05 0.14 0.17 -0.04 1.64 1.87 1taqA1 LEU 426 HB3 -0.02 -0.04 0.04 -0.04 1.64 1.58 1taqA1 LEU 426 HG -0.02 -0.08 0.03 -0.04 1.64 1.52 1taqA1 LEU 426 HD13 -0.06 0.01 -0.07 -0.04 0.93 0.77 1taqA1 LEU 426 HD23 0.01 0.01 -0.07 -0.04 0.89 0.80 1taqA1 LEU 427 H 0.01 0.67 0.03 -0.55 8.37 8.53 1taqA1 LEU 427 HA 0.04 -0.05 0.24 -0.75 4.35 3.82 1taqA1 LEU 427 HB2 0.05 0.05 0.09 -0.04 1.64 1.79 1taqA1 LEU 427 HB3 0.04 -0.06 -0.02 -0.04 1.64 1.56 1taqA1 LEU 427 HG -0.13 0.36 -0.07 -0.04 1.64 1.76 1taqA1 LEU 427 HD13 -0.12 0.03 0.01 -0.04 0.93 0.80 1taqA1 LEU 427 HD23 -0.52 -0.08 -0.24 -0.04 0.89 0.00 1taqA1 TRP 428 H 0.28 0.46 -0.36 -0.55 7.97 7.80 1taqA1 TRP 428 HA 0.04 0.00 0.43 -0.75 4.62 4.33 1taqA1 TRP 428 HB2 0.01 0.08 0.16 -0.04 3.23 3.44 1taqA1 TRP 428 HB3 0.00 0.13 0.13 -0.04 3.23 3.45 1taqA1 TRP 428 HD1 0.01 -0.03 0.02 -0.04 7.22 7.18 1taqA1 TRP 428 HE1 -0.01 -0.00 -0.01 -0.04 10.20 10.13 1taqA1 TRP 428 HE3 -0.10 0.09 -0.13 -0.04 7.59 7.41 1taqA1 TRP 428 HZ2 -0.13 0.03 -0.03 -0.04 7.44 7.27 1taqA1 TRP 428 HZ3 -0.74 -0.05 -0.06 -0.04 7.13 6.24 1taqA1 TRP 428 HH2 -0.81 0.04 -0.06 -0.04 7.19 6.32 1taqA1 LEU 429 H 0.30 0.44 -0.22 -0.55 8.37 8.35 1taqA1 LEU 429 HA -0.16 0.03 0.39 -0.75 4.35 3.85 1taqA1 LEU 429 HB2 0.16 0.18 0.23 -0.04 1.64 2.17 1taqA1 LEU 429 HB3 0.13 -0.11 -0.01 -0.04 1.64 1.61 1taqA1 LEU 429 HG 0.44 0.22 0.10 -0.04 1.64 2.35 1taqA1 LEU 429 HD13 0.17 -0.05 -0.23 -0.04 0.93 0.78 1taqA1 LEU 429 HD23 0.28 -0.05 -0.03 -0.04 0.89 1.05 1taqA1 TYR 430 H 0.19 0.64 -0.07 -0.55 8.29 8.51 1taqA1 TYR 430 HA 0.03 -0.11 0.42 -0.75 4.56 4.15 1taqA1 TYR 430 HB2 0.09 0.05 0.05 -0.04 3.06 3.21 1taqA1 TYR 430 HB3 0.11 0.12 0.15 -0.04 2.98 3.32 1taqA1 TYR 430 HD2 0.28 0.04 -0.06 -0.04 7.15 7.37 1taqA1 TYR 430 HE2 0.20 -0.03 -0.05 -0.04 6.85 6.93 1taqA1 ARG 431 H 0.09 0.58 -0.06 -0.55 8.46 8.51 1taqA1 ARG 431 HA -0.17 -0.04 0.36 -0.75 4.34 3.73 1taqA1 ARG 431 HB2 0.12 -0.06 0.12 -0.04 1.90 2.04 1taqA1 ARG 431 HB3 -0.11 0.15 0.17 -0.04 1.80 1.97 1taqA1 ARG 431 HG2 -0.12 0.05 -0.17 -0.04 1.67 1.39 1taqA1 ARG 431 HG3 -0.02 -0.06 0.03 -0.04 1.67 1.58 1taqA1 ARG 431 HD2 0.02 0.02 -0.03 -0.04 3.22 3.19 1taqA1 ARG 431 HD3 0.03 -0.03 -0.03 -0.04 3.22 3.15 1taqA1 GLU 432 H -0.52 0.56 -0.15 -0.55 8.60 7.93 1taqA1 GLU 432 HA -0.34 0.17 0.86 -0.75 4.29 4.24 1taqA1 GLU 432 HB2 -1.68 0.03 -0.01 -0.04 2.09 0.38 1taqA1 GLU 432 HB3 -0.68 -0.03 0.09 -0.04 1.99 1.33 1taqA1 GLU 432 HG2 -0.87 0.03 0.03 -0.04 2.34 1.48 1taqA1 GLU 432 HG3 -1.56 -0.06 -0.00 -0.04 2.34 0.68 1taqA1 VAL 433 H -0.30 0.54 -0.05 -0.55 8.24 7.88 1taqA1 VAL 433 HA -0.17 0.23 0.97 -0.75 4.13 4.41 1taqA1 VAL 433 HB -0.11 0.02 0.18 -0.04 2.12 2.17 1taqA1 VAL 433 HG13 0.00 -0.03 -0.15 -0.04 0.97 0.75 1taqA1 VAL 433 HG23 -0.26 -0.01 -0.15 -0.04 0.95 0.48 1taqA1 GLU 434 H -0.05 0.37 0.16 -0.55 8.60 8.53 1taqA1 GLU 434 HA -0.00 0.03 0.33 -0.75 4.29 3.90 1taqA1 GLU 434 HB2 0.11 -0.03 0.19 -0.04 2.09 2.32 1taqA1 GLU 434 HB3 0.14 -0.09 0.00 -0.04 1.99 2.00 1taqA1 GLU 434 HG2 0.12 0.04 -0.13 -0.04 2.34 2.34 1taqA1 GLU 434 HG3 0.25 0.02 -0.04 -0.04 2.34 2.52 1taqA1 ARG 435 H -0.33 0.59 0.13 -0.55 8.46 8.29 1taqA1 ARG 435 HA -0.19 -0.05 0.38 -0.75 4.34 3.73 1taqA1 ARG 435 HB2 -0.58 0.20 0.06 -0.04 1.90 1.54 1taqA1 ARG 435 HB3 -0.26 0.10 -0.03 -0.04 1.80 1.57 1taqA1 ARG 435 HG2 -0.22 0.06 -0.09 -0.04 1.67 1.37 1taqA1 ARG 435 HG3 -0.80 -0.12 -0.08 -0.04 1.67 0.63 1taqA1 ARG 435 HD2 -0.16 0.09 -0.10 -0.04 3.22 3.01 1taqA1 ARG 435 HD3 -0.13 -0.15 -0.17 -0.04 3.22 2.73 1taqA1 PRO 436 HA -0.11 0.05 0.53 -0.51 4.44 4.41 1taqA1 PRO 436 HB2 -0.09 0.05 -0.04 -0.04 2.28 2.16 1taqA1 PRO 436 HB3 -0.09 0.01 0.05 -0.04 2.02 1.94 1taqA1 PRO 436 HG2 -0.14 0.15 -0.30 -0.04 2.03 1.70 1taqA1 PRO 436 HG3 -0.15 0.13 -0.13 -0.04 2.03 1.83 1taqA1 PRO 436 HD2 -0.20 -0.01 -0.50 -0.04 3.68 2.93 1taqA1 PRO 436 HD3 -0.19 0.21 -0.03 -0.04 3.65 3.60 1taqA1 LEU 437 H -0.10 0.48 -0.36 -0.55 8.37 7.84 1taqA1 LEU 437 HA -0.11 0.04 0.48 -0.75 4.35 4.01 1taqA1 LEU 437 HB2 -0.06 0.24 0.09 -0.04 1.64 1.87 1taqA1 LEU 437 HB3 -0.05 0.04 0.12 -0.04 1.64 1.71 1taqA1 LEU 437 HG -0.07 -0.12 -0.09 -0.04 1.64 1.32 1taqA1 LEU 437 HD13 -0.08 0.01 0.02 -0.04 0.93 0.84 1taqA1 LEU 437 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.75 1taqA1 SER 438 H -0.08 0.53 -0.20 -0.55 8.46 8.16 1taqA1 SER 438 HA -0.04 -0.09 0.39 -0.75 4.49 4.00 1taqA1 SER 438 HB2 -0.06 0.21 0.16 -0.04 3.95 4.22 1taqA1 SER 438 HB3 -0.03 -0.22 0.07 -0.04 3.93 3.71 1taqA1 ALA 439 H -0.10 0.36 -0.13 -0.55 8.40 7.98 1taqA1 ALA 439 HA -0.10 -0.01 0.52 -0.75 4.34 4.00 1taqA1 ALA 439 HB3 -0.10 0.08 0.10 -0.04 1.41 1.44 1taqA1 VAL 440 H -0.22 0.36 -0.34 -0.55 8.24 7.49 1taqA1 VAL 440 HA -0.64 0.07 0.58 -0.75 4.13 3.39 1taqA1 VAL 440 HB -0.19 0.09 0.12 -0.04 2.12 2.09 1taqA1 VAL 440 HG13 -0.16 -0.03 -0.11 -0.04 0.97 0.64 1taqA1 VAL 440 HG23 -0.43 0.07 -0.02 -0.04 0.95 0.53 1taqA1 LEU 441 H -0.11 0.63 -0.06 -0.55 8.37 8.28 1taqA1 LEU 441 HA -0.06 0.02 0.45 -0.75 4.35 4.01 1taqA1 LEU 441 HB2 -0.02 0.14 0.25 -0.04 1.64 1.97 1taqA1 LEU 441 HB3 0.08 -0.08 0.06 -0.04 1.64 1.66 1taqA1 LEU 441 HG -0.07 0.29 -0.05 -0.04 1.64 1.77 1taqA1 LEU 441 HD13 0.02 -0.02 -0.11 -0.04 0.93 0.78 1taqA1 LEU 441 HD23 -0.19 -0.02 -0.08 -0.04 0.89 0.55 1taqA1 ALA 442 H -0.06 0.57 -0.04 -0.55 8.40 8.33 1taqA1 ALA 442 HA -0.02 -0.05 0.37 -0.75 4.34 3.89 1taqA1 ALA 442 HB3 -0.13 0.03 0.05 -0.04 1.41 1.32 1taqA1 HIS 443 H -0.00 0.32 -0.41 -0.55 8.41 7.77 1taqA1 HIS 443 HA 0.02 0.09 0.57 -0.75 4.63 4.56 1taqA1 HIS 443 HB2 -0.08 0.10 0.14 -0.04 3.26 3.38 1taqA1 HIS 443 HB3 0.13 -0.02 -0.00 -0.04 3.20 3.27 1taqA1 HIS 443 HD2 0.09 0.01 -0.01 -0.04 6.97 7.01 1taqA1 HIS 443 HE1 0.12 -0.04 -0.04 -0.04 7.75 7.74 1taqA1 MET 444 H 0.08 0.35 -0.16 -0.55 8.47 8.19 1taqA1 MET 444 HA 0.12 0.24 0.65 -0.75 4.52 4.78 1taqA1 MET 444 HB2 0.10 -0.02 0.19 -0.04 2.15 2.38 1taqA1 MET 444 HB3 0.22 0.10 0.01 -0.04 2.03 2.32 1taqA1 MET 444 HG2 0.02 0.23 -0.12 -0.04 2.63 2.72 1taqA1 MET 444 HG3 -0.03 0.19 0.03 -0.04 2.56 2.71 1taqA1 MET 444 HE3 -0.44 -0.02 -0.17 -0.04 2.10 1.44 1taqA1 GLU 445 H 0.19 0.57 0.03 -0.55 8.60 8.85 1taqA1 GLU 445 HA 0.14 0.14 0.50 -0.75 4.29 4.30 1taqA1 GLU 445 HB2 0.18 -0.03 0.15 -0.04 2.09 2.35 1taqA1 GLU 445 HB3 0.07 -0.00 0.10 -0.04 1.99 2.12 1taqA1 GLU 445 HG2 0.05 -0.05 -0.07 -0.04 2.34 2.24 1taqA1 GLU 445 HG3 -0.01 0.54 0.18 -0.04 2.34 3.01 1taqA1 ALA 446 H 0.05 0.43 -0.21 -0.55 8.40 8.13 1taqA1 ALA 446 HA -0.08 -0.00 0.48 -0.75 4.34 3.98 1taqA1 ALA 446 HB3 -0.06 -0.02 0.15 -0.04 1.41 1.43 1taqA1 THR 447 H 0.12 0.20 -0.65 -0.55 8.28 7.40 1taqA1 THR 447 HA 0.06 0.06 0.73 -0.75 4.39 4.48 1taqA1 THR 447 HB 0.08 0.15 0.25 -0.04 4.32 4.76 1taqA1 THR 447 HG23 -0.03 0.00 -0.11 -0.04 1.22 1.05 1taqA1 GLY 448 H 0.08 0.33 0.03 -0.55 8.43 8.33 1taqA1 GLY 448 HA2 -0.19 0.08 0.49 -0.51 4.01 3.88 1taqA1 GLY 448 HA3 -0.55 -0.02 0.21 -0.51 4.01 3.15 1taqA1 VAL 449 H -0.14 0.43 0.32 -0.55 8.24 8.31 1taqA1 VAL 449 HA -0.05 0.16 0.83 -0.75 4.13 4.32 1taqA1 VAL 449 HB 0.06 -0.03 -0.20 -0.04 2.12 1.92 1taqA1 VAL 449 HG13 0.13 0.02 -0.02 -0.04 0.97 1.06 1taqA1 VAL 449 HG23 0.15 0.02 -0.05 -0.04 0.95 1.04 1taqA1 ARG 450 H -0.06 0.21 0.18 -0.55 8.46 8.24 1taqA1 ARG 450 HA -0.07 0.18 0.63 -0.75 4.34 4.33 1taqA1 ARG 450 HB2 -0.09 -0.00 0.01 -0.04 1.90 1.78 1taqA1 ARG 450 HB3 -0.05 0.10 -0.09 -0.04 1.80 1.73 1taqA1 ARG 450 HG2 -0.03 -0.01 -0.13 -0.04 1.67 1.47 1taqA1 ARG 450 HG3 -0.04 0.12 0.11 -0.04 1.67 1.82 1taqA1 ARG 450 HD2 -0.05 0.00 0.02 -0.04 3.22 3.15 1taqA1 ARG 450 HD3 -0.06 -0.06 -0.18 -0.04 3.22 2.89 1taqA1 LEU 451 H -0.05 0.23 0.26 -0.55 8.37 8.26 1taqA1 LEU 451 HA -0.11 0.24 1.03 -0.75 4.35 4.76 1taqA1 LEU 451 HB2 -0.08 -0.02 -0.00 -0.04 1.64 1.49 1taqA1 LEU 451 HB3 -0.15 -0.03 -0.07 -0.04 1.64 1.35 1taqA1 LEU 451 HG -0.17 0.04 -0.25 -0.04 1.64 1.22 1taqA1 LEU 451 HD13 -0.17 0.00 -0.15 -0.04 0.93 0.57 1taqA1 LEU 451 HD23 -0.75 0.02 -0.16 -0.04 0.89 -0.05 1taqA1 ASP 452 H -0.03 0.74 0.22 -0.55 8.40 8.79 1taqA1 ASP 452 HA 0.02 0.12 0.77 -0.75 4.63 4.79 1taqA1 ASP 452 HB2 -0.00 0.18 0.12 -0.04 2.71 2.96 1taqA1 ASP 452 HB3 0.06 -0.03 0.29 -0.04 2.70 2.98 1taqA1 VAL 453 H 0.01 0.45 -0.02 -0.55 8.24 8.14 1taqA1 VAL 453 HA 0.02 0.08 0.38 -0.75 4.13 3.85 1taqA1 VAL 453 HB 0.01 0.01 -0.02 -0.04 2.12 2.08 1taqA1 VAL 453 HG13 0.01 0.03 0.04 -0.04 0.97 1.01 1taqA1 VAL 453 HG23 0.01 0.04 0.11 -0.04 0.95 1.08 1taqA1 ALA 454 H 0.04 0.13 -0.18 -0.55 8.40 7.85 1taqA1 ALA 454 HA 0.02 0.09 0.36 -0.75 4.34 4.06 1taqA1 ALA 454 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 1taqA1 TYR 455 H 0.16 0.18 -0.31 -0.55 8.29 7.77 1taqA1 TYR 455 HA 0.01 0.03 0.50 -0.75 4.56 4.34 1taqA1 TYR 455 HB2 0.01 -0.04 0.07 -0.04 3.06 3.07 1taqA1 TYR 455 HB3 0.01 0.21 0.16 -0.04 2.98 3.32 1taqA1 TYR 455 HD2 0.02 0.01 -0.13 -0.04 7.15 7.00 1taqA1 TYR 455 HE2 0.02 0.05 -0.06 -0.04 6.85 6.82 1taqA1 LEU 456 H 0.13 0.54 0.00 -0.55 8.37 8.50 1taqA1 LEU 456 HA 0.04 0.02 0.39 -0.75 4.35 4.05 1taqA1 LEU 456 HB2 0.04 0.02 0.19 -0.04 1.64 1.84 1taqA1 LEU 456 HB3 0.01 0.07 -0.03 -0.04 1.64 1.65 1taqA1 LEU 456 HG 0.00 -0.02 -0.10 -0.04 1.64 1.49 1taqA1 LEU 456 HD13 0.07 0.04 0.08 -0.04 0.93 1.08 1taqA1 LEU 456 HD23 0.05 -0.04 -0.16 -0.04 0.89 0.71 1taqA1 ARG 457 H -0.01 0.51 -0.21 -0.55 8.46 8.19 1taqA1 ARG 457 HA -0.03 0.07 0.51 -0.75 4.34 4.14 1taqA1 ARG 457 HB2 -0.02 -0.05 0.01 -0.04 1.90 1.80 1taqA1 ARG 457 HB3 -0.01 0.02 0.08 -0.04 1.80 1.85 1taqA1 ARG 457 HG2 0.00 -0.01 0.05 -0.04 1.67 1.67 1taqA1 ARG 457 HG3 -0.01 0.17 0.16 -0.04 1.67 1.94 1taqA1 ARG 457 HD2 -0.02 -0.05 -0.05 -0.04 3.22 3.06 1taqA1 ARG 457 HD3 -0.00 -0.05 0.02 -0.04 3.22 3.15 1taqA1 ALA 458 H -0.08 0.44 -0.07 -0.55 8.40 8.15 1taqA1 ALA 458 HA -0.07 -0.00 0.44 -0.75 4.34 3.96 1taqA1 ALA 458 HB3 -0.11 0.02 0.16 -0.04 1.41 1.43 1taqA1 LEU 459 H -0.34 0.96 -0.03 -0.55 8.37 8.41 1taqA1 LEU 459 HA -0.24 -0.05 0.36 -0.75 4.35 3.66 1taqA1 LEU 459 HB2 -0.80 -0.01 0.05 -0.04 1.64 0.83 1taqA1 LEU 459 HB3 -0.24 0.16 0.13 -0.04 1.64 1.64 1taqA1 LEU 459 HG -0.06 -0.03 -0.28 -0.04 1.64 1.23 1taqA1 LEU 459 HD13 -0.05 -0.03 -0.03 -0.04 0.93 0.78 1taqA1 LEU 459 HD23 0.13 0.02 -0.11 -0.04 0.89 0.88 1taqA1 SER 460 H -0.09 0.56 -0.30 -0.55 8.46 8.07 1taqA1 SER 460 HA -0.04 -0.04 0.40 -0.75 4.49 4.05 1taqA1 SER 460 HB2 -0.03 0.31 0.20 -0.04 3.95 4.39 1taqA1 SER 460 HB3 -0.03 0.03 0.09 -0.04 3.93 3.98 1taqA1 LEU 461 H -0.06 0.58 -0.15 -0.55 8.37 8.19 1taqA1 LEU 461 HA -0.03 -0.02 0.40 -0.75 4.35 3.94 1taqA1 LEU 461 HB2 -0.03 -0.08 0.12 -0.04 1.64 1.61 1taqA1 LEU 461 HB3 -0.04 0.11 0.21 -0.04 1.64 1.87 1taqA1 LEU 461 HG -0.06 0.25 0.21 -0.04 1.64 2.00 1taqA1 LEU 461 HD13 -0.03 -0.03 -0.17 -0.04 0.93 0.66 1taqA1 LEU 461 HD23 -0.04 -0.05 0.07 -0.04 0.89 0.84 1taqA1 GLU 462 H -0.06 0.58 -0.11 -0.55 8.60 8.46 1taqA1 GLU 462 HA -0.03 -0.04 0.32 -0.75 4.29 3.79 1taqA1 GLU 462 HB2 -0.06 -0.01 0.10 -0.04 2.09 2.07 1taqA1 GLU 462 HB3 -0.08 0.23 0.22 -0.04 1.99 2.32 1taqA1 GLU 462 HG2 -0.03 -0.02 -0.21 -0.04 2.34 2.04 1taqA1 GLU 462 HG3 -0.03 -0.06 0.01 -0.04 2.34 2.23 1taqA1 VAL 463 H -0.04 0.66 -0.08 -0.55 8.24 8.23 1taqA1 VAL 463 HA -0.02 -0.01 0.48 -0.75 4.13 3.82 1taqA1 VAL 463 HB -0.02 0.07 0.06 -0.04 2.12 2.19 1taqA1 VAL 463 HG13 -0.02 -0.03 -0.01 -0.04 0.97 0.88 1taqA1 VAL 463 HG23 -0.02 0.09 -0.01 -0.04 0.95 0.97 1taqA1 ALA 464 H -0.03 0.63 -0.21 -0.55 8.40 8.24 1taqA1 ALA 464 HA -0.02 -0.00 0.40 -0.75 4.34 3.96 1taqA1 ALA 464 HB3 -0.02 0.05 0.14 -0.04 1.41 1.54 1taqA1 GLU 465 H -0.01 0.51 -0.04 -0.55 8.60 8.51 1taqA1 GLU 465 HA -0.00 -0.02 0.47 -0.75 4.29 3.98 1taqA1 GLU 465 HB2 -0.01 0.15 0.11 -0.04 2.09 2.29 1taqA1 GLU 465 HB3 -0.01 -0.06 0.06 -0.04 1.99 1.94 1taqA1 GLU 465 HG2 -0.00 -0.05 0.04 -0.04 2.34 2.28 1taqA1 GLU 465 HG3 -0.01 0.10 0.11 -0.04 2.34 2.50 1taqA1 GLU 466 H -0.01 0.39 -0.26 -0.55 8.60 8.18 1taqA1 GLU 466 HA -0.00 -0.01 0.37 -0.75 4.29 3.90 1taqA1 GLU 466 HB2 -0.01 0.17 0.11 -0.04 2.09 2.32 1taqA1 GLU 466 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.93 1taqA1 GLU 466 HG2 -0.01 -0.07 0.04 -0.04 2.34 2.26 1taqA1 GLU 466 HG3 -0.01 0.37 0.15 -0.04 2.34 2.81 1taqA1 ILE 467 H -0.01 0.45 -0.41 -0.55 8.25 7.73 1taqA1 ILE 467 HA 0.05 0.03 0.45 -0.75 4.18 3.95 1taqA1 ILE 467 HB -0.01 0.23 0.15 -0.04 1.89 2.22 1taqA1 ILE 467 HG12 -0.09 -0.08 -0.08 -0.04 1.49 1.21 1taqA1 ILE 467 HG13 -0.04 0.37 0.08 -0.04 1.21 1.58 1taqA1 ILE 467 HG23 -0.14 -0.03 -0.06 -0.04 0.93 0.66 1taqA1 ILE 467 HD13 -0.12 -0.02 -0.10 -0.04 0.88 0.61 1taqA1 ALA 468 H 0.02 0.35 -0.06 -0.55 8.40 8.17 1taqA1 ALA 468 HA 0.02 0.01 0.39 -0.75 4.34 4.02 1taqA1 ALA 468 HB3 0.00 0.03 0.14 -0.04 1.41 1.55 1taqA1 ARG 469 H -0.00 0.68 0.02 -0.55 8.46 8.59 1taqA1 ARG 469 HA -0.03 -0.01 0.37 -0.75 4.34 3.91 1taqA1 ARG 469 HB2 -0.01 0.12 0.07 -0.04 1.90 2.04 1taqA1 ARG 469 HB3 -0.01 -0.04 0.05 -0.04 1.80 1.76 1taqA1 ARG 469 HG2 -0.01 -0.05 0.04 -0.04 1.67 1.61 1taqA1 ARG 469 HG3 -0.01 0.23 0.10 -0.04 1.67 1.95 1taqA1 ARG 469 HD2 -0.00 -0.03 -0.01 -0.04 3.22 3.13 1taqA1 ARG 469 HD3 -0.00 -0.02 -0.06 -0.04 3.22 3.09 1taqA1 LEU 470 H 0.01 0.35 -0.48 -0.55 8.37 7.70 1taqA1 LEU 470 HA -0.03 -0.00 0.40 -0.75 4.35 3.96 1taqA1 LEU 470 HB2 0.08 0.17 0.15 -0.04 1.64 2.01 1taqA1 LEU 470 HB3 0.10 -0.04 -0.07 -0.04 1.64 1.59 1taqA1 LEU 470 HG 0.06 -0.02 -0.10 -0.04 1.64 1.53 1taqA1 LEU 470 HD13 0.02 0.01 0.06 -0.04 0.93 0.98 1taqA1 LEU 470 HD23 0.01 0.06 0.00 -0.04 0.89 0.92 1taqA1 GLU 471 H -0.09 0.53 -0.13 -0.55 8.60 8.36 1taqA1 GLU 471 HA -0.65 0.02 0.55 -0.75 4.29 3.45 1taqA1 GLU 471 HB2 -0.21 0.06 0.12 -0.04 2.09 2.02 1taqA1 GLU 471 HB3 -0.29 0.08 0.14 -0.04 1.99 1.87 1taqA1 GLU 471 HG2 -1.34 0.02 -0.05 -0.04 2.34 0.93 1taqA1 GLU 471 HG3 -0.72 -0.10 0.03 -0.04 2.34 1.50 1taqA1 ALA 472 H -0.23 0.67 0.02 -0.55 8.40 8.31 1taqA1 ALA 472 HA -0.25 0.04 0.39 -0.75 4.34 3.78 1taqA1 ALA 472 HB3 -0.06 0.03 0.10 -0.04 1.41 1.44 1taqA1 GLU 473 H -0.12 0.64 -0.12 -0.55 8.60 8.45 1taqA1 GLU 473 HA -0.02 -0.02 0.45 -0.75 4.29 3.94 1taqA1 GLU 473 HB2 -0.03 0.02 0.11 -0.04 2.09 2.15 1taqA1 GLU 473 HB3 -0.05 0.12 0.09 -0.04 1.99 2.11 1taqA1 GLU 473 HG2 -0.01 -0.01 -0.05 -0.04 2.34 2.23 1taqA1 GLU 473 HG3 -0.00 -0.06 0.00 -0.04 2.34 2.24 1taqA1 VAL 474 H -0.26 0.30 -0.61 -0.55 8.24 7.12 1taqA1 VAL 474 HA 0.05 -0.01 0.51 -0.75 4.13 3.93 1taqA1 VAL 474 HB -0.32 0.11 0.12 -0.04 2.12 1.98 1taqA1 VAL 474 HG13 0.23 -0.03 0.02 -0.04 0.97 1.15 1taqA1 VAL 474 HG23 -0.10 0.11 -0.00 -0.04 0.95 0.92 1taqA1 PHE 475 H -0.02 0.25 -0.43 -0.55 8.34 7.58 1taqA1 PHE 475 HA 0.14 0.15 0.64 -0.75 4.62 4.80 1taqA1 PHE 475 HB2 0.04 0.05 0.13 -0.04 3.15 3.32 1taqA1 PHE 475 HB3 0.08 -0.04 0.01 -0.04 3.06 3.06 1taqA1 PHE 475 HD2 0.15 0.07 -0.43 -0.04 7.28 7.03 1taqA1 PHE 475 HE2 -0.21 -0.14 -0.14 -0.04 7.38 6.85 1taqA1 PHE 475 HZ -0.24 -0.26 0.02 -0.04 7.32 6.81 1taqA1 ARG 476 H 0.10 0.48 0.20 -0.55 8.46 8.68 1taqA1 ARG 476 HA 0.07 -0.02 0.43 -0.75 4.34 4.07 1taqA1 ARG 476 HB2 0.03 0.01 0.08 -0.04 1.90 1.99 1taqA1 ARG 476 HB3 0.03 0.03 0.19 -0.04 1.80 2.00 1taqA1 ARG 476 HG2 0.02 -0.01 -0.06 -0.04 1.67 1.59 1taqA1 ARG 476 HG3 0.02 -0.04 0.03 -0.04 1.67 1.64 1taqA1 ARG 476 HD2 0.01 -0.04 -0.01 -0.04 3.22 3.14 1taqA1 ARG 476 HD3 0.01 0.03 -0.01 -0.04 3.22 3.21 1taqA1 LEU 477 H 0.07 0.42 -0.20 -0.55 8.37 8.10 1taqA1 LEU 477 HA 0.02 0.04 0.62 -0.75 4.35 4.27 1taqA1 LEU 477 HB2 0.03 0.06 0.09 -0.04 1.64 1.77 1taqA1 LEU 477 HB3 0.04 0.03 -0.04 -0.04 1.64 1.63 1taqA1 LEU 477 HG 0.01 0.01 0.05 -0.04 1.64 1.67 1taqA1 LEU 477 HD13 0.03 -0.02 -0.02 -0.04 0.93 0.88 1taqA1 LEU 477 HD23 -0.01 -0.07 0.04 -0.04 0.89 0.81 1taqA1 ALA 478 H -0.02 0.08 0.05 -0.55 8.40 7.96 1taqA1 ALA 478 HA -0.06 -0.03 0.29 -0.75 4.34 3.79 1taqA1 ALA 478 HB3 -0.00 0.11 0.03 -0.04 1.41 1.50 1taqA1 GLY 479 H -0.00 0.16 -0.84 -0.55 8.43 7.21 1taqA1 GLY 479 HA2 -0.04 0.03 0.25 -0.51 4.01 3.74 1taqA1 GLY 479 HA3 -0.18 -0.07 0.41 -0.51 4.01 3.66 1taqA1 HIS 480 H -0.45 0.15 0.23 -0.55 8.41 7.80 1taqA1 HIS 480 HA -0.08 0.05 0.36 -0.75 4.63 4.20 1taqA1 HIS 480 HB2 -0.12 -0.03 -0.10 -0.04 3.26 2.97 1taqA1 HIS 480 HB3 -0.10 -0.04 0.07 -0.04 3.20 3.10 1taqA1 HIS 480 HD2 -0.12 -0.04 0.01 -0.04 6.97 6.78 1taqA1 HIS 480 HE1 -0.34 0.00 0.13 -0.04 7.75 7.50 1taqA1 PRO 481 HA -0.73 0.09 0.45 -0.51 4.44 3.74 1taqA1 PRO 481 HB2 -0.14 -0.07 0.23 -0.04 2.28 2.26 1taqA1 PRO 481 HB3 -0.12 -0.00 0.13 -0.04 2.02 1.99 1taqA1 PRO 481 HG2 0.02 -0.07 0.08 -0.04 2.03 2.02 1taqA1 PRO 481 HG3 0.07 0.17 0.09 -0.04 2.03 2.31 1taqA1 PRO 481 HD2 -0.02 -0.02 0.13 -0.04 3.68 3.73 1taqA1 PRO 481 HD3 0.01 0.19 0.17 -0.04 3.65 3.98 1taqA1 PHE 482 H 0.17 0.46 0.32 -0.55 8.34 8.74 1taqA1 PHE 482 HA -0.28 0.07 0.54 -0.75 4.62 4.20 1taqA1 PHE 482 HB2 -0.19 -0.16 0.12 -0.04 3.15 2.87 1taqA1 PHE 482 HB3 -0.33 0.05 0.02 -0.04 3.06 2.75 1taqA1 PHE 482 HD2 -0.27 -0.07 -0.03 -0.04 7.28 6.87 1taqA1 PHE 482 HE2 0.13 0.08 -0.19 -0.04 7.38 7.36 1taqA1 PHE 482 HZ 0.05 -0.01 -0.11 -0.04 7.32 7.21 1taqA1 ASN 483 H -0.16 0.13 0.09 -0.55 8.53 8.05 1taqA1 ASN 483 HA -0.13 0.20 0.93 -0.75 4.76 5.00 1taqA1 ASN 483 HB2 -0.07 0.05 -0.04 -0.04 2.88 2.78 1taqA1 ASN 483 HB3 -0.07 -0.08 0.16 -0.04 2.79 2.75 1taqA1 ASN 483 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.98 1taqA1 ASN 483 HD22 -0.02 -0.08 0.01 -0.04 7.74 7.61 1taqA1 LEU 484 H -0.22 0.18 0.04 -0.55 8.37 7.82 1taqA1 LEU 484 HA -0.40 0.05 0.32 -0.75 4.35 3.57 1taqA1 LEU 484 HB2 -0.36 0.02 0.04 -0.04 1.64 1.30 1taqA1 LEU 484 HB3 -0.12 -0.04 0.08 -0.04 1.64 1.53 1taqA1 LEU 484 HG -0.40 0.04 -0.03 -0.04 1.64 1.21 1taqA1 LEU 484 HD13 -1.00 0.02 -0.00 -0.04 0.93 -0.10 1taqA1 LEU 484 HD23 -0.17 0.01 -0.02 -0.04 0.89 0.67 1taqA1 ASN 485 H -0.01 0.16 0.05 -0.55 8.53 8.18 1taqA1 ASN 485 HA 0.04 0.04 0.40 -0.75 4.76 4.49 1taqA1 ASN 485 HB2 0.05 0.28 0.09 -0.04 2.88 3.26 1taqA1 ASN 485 HB3 0.03 -0.02 0.03 -0.04 2.79 2.79 1taqA1 ASN 485 HD21 0.05 0.03 -0.07 -0.04 7.03 6.99 1taqA1 ASN 485 HD22 0.08 0.03 -0.10 -0.04 7.74 7.71 1taqA1 SER 486 H -0.03 0.66 -0.47 -0.55 8.46 8.08 1taqA1 SER 486 HA 0.01 0.05 0.41 -0.75 4.49 4.21 1taqA1 SER 486 HB2 -0.01 0.00 0.25 -0.04 3.95 4.15 1taqA1 SER 486 HB3 0.00 -0.05 0.14 -0.04 3.93 3.99 1taqA1 ARG 487 H 0.02 0.56 0.41 -0.55 8.46 8.90 1taqA1 ARG 487 HA 0.05 -0.06 0.08 -0.75 4.34 3.65 1taqA1 ARG 487 HB2 0.04 -0.00 0.13 -0.04 1.90 2.02 1taqA1 ARG 487 HB3 0.03 0.13 0.21 -0.04 1.80 2.13 1taqA1 ARG 487 HG2 0.02 0.01 0.02 -0.04 1.67 1.68 1taqA1 ARG 487 HG3 0.02 0.01 -0.31 -0.04 1.67 1.35 1taqA1 ARG 487 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.17 1taqA1 ARG 487 HD3 0.03 0.06 0.05 -0.04 3.22 3.31 1taqA1 ASP 488 H 0.03 0.16 -0.38 -0.55 8.40 7.66 1taqA1 ASP 488 HA 0.03 0.06 0.45 -0.75 4.63 4.42 1taqA1 ASP 488 HB2 0.03 0.03 0.11 -0.04 2.71 2.84 1taqA1 ASP 488 HB3 0.02 0.02 0.04 -0.04 2.70 2.74 1taqA1 GLN 489 H 0.07 0.54 0.11 -0.55 8.47 8.64 1taqA1 GLN 489 HA 0.08 0.07 0.43 -0.75 4.36 4.18 1taqA1 GLN 489 HB2 0.34 0.01 -0.08 -0.04 2.15 2.38 1taqA1 GLN 489 HB3 0.36 0.00 0.03 -0.04 2.02 2.37 1taqA1 GLN 489 HG2 0.05 0.23 0.25 -0.04 2.40 2.89 1taqA1 GLN 489 HG3 0.04 0.12 0.13 -0.04 2.39 2.64 1taqA1 GLN 489 HE21 0.01 0.01 0.03 -0.04 6.97 6.99 1taqA1 GLN 489 HE22 0.01 0.03 0.09 -0.04 7.69 7.78 1taqA1 LEU 490 H 0.14 0.14 -0.33 -0.55 8.37 7.77 1taqA1 LEU 490 HA 0.25 0.04 0.22 -0.75 4.35 4.11 1taqA1 LEU 490 HB2 0.08 0.13 -0.04 -0.04 1.64 1.76 1taqA1 LEU 490 HB3 0.10 0.04 -0.10 -0.04 1.64 1.64 1taqA1 LEU 490 HG 0.08 -0.06 -0.27 -0.04 1.64 1.35 1taqA1 LEU 490 HD13 0.06 0.00 -0.07 -0.04 0.93 0.88 1taqA1 LEU 490 HD23 0.16 -0.03 -0.10 -0.04 0.89 0.88 1taqA1 GLU 491 H 0.07 0.27 -0.43 -0.55 8.60 7.98 1taqA1 GLU 491 HA 0.07 0.06 0.37 -0.75 4.29 4.03 1taqA1 GLU 491 HB2 0.05 0.09 0.06 -0.04 2.09 2.25 1taqA1 GLU 491 HB3 0.04 -0.02 -0.00 -0.04 1.99 1.98 1taqA1 GLU 491 HG2 0.04 -0.04 0.00 -0.04 2.34 2.30 1taqA1 GLU 491 HG3 0.05 0.15 0.07 -0.04 2.34 2.56 1taqA1 ARG 492 H 0.08 0.28 -0.15 -0.55 8.46 8.12 1taqA1 ARG 492 HA 0.37 0.02 0.37 -0.75 4.34 4.34 1taqA1 ARG 492 HB2 0.02 0.07 0.15 -0.04 1.90 2.09 1taqA1 ARG 492 HB3 0.23 -0.05 0.03 -0.04 1.80 1.97 1taqA1 ARG 492 HG2 0.07 0.14 0.20 -0.04 1.67 2.03 1taqA1 ARG 492 HG3 0.05 -0.07 0.05 -0.04 1.67 1.66 1taqA1 ARG 492 HD2 0.09 -0.02 0.01 -0.04 3.22 3.25 1taqA1 ARG 492 HD3 0.03 -0.03 -0.01 -0.04 3.22 3.17 1taqA1 VAL 493 H -0.06 0.51 -0.06 -0.55 8.24 8.09 1taqA1 VAL 493 HA -0.16 0.05 0.47 -0.75 4.13 3.74 1taqA1 VAL 493 HB -0.16 0.03 0.01 -0.04 2.12 1.96 1taqA1 VAL 493 HG13 -0.15 0.02 -0.09 -0.04 0.97 0.71 1taqA1 VAL 493 HG23 -1.35 0.01 -0.01 -0.04 0.95 -0.43 1taqA1 LEU 494 H 0.04 0.30 -0.65 -0.55 8.37 7.50 1taqA1 LEU 494 HA -0.02 0.20 0.56 -0.75 4.35 4.34 1taqA1 LEU 494 HB2 0.06 0.12 0.10 -0.04 1.64 1.88 1taqA1 LEU 494 HB3 0.04 -0.01 0.17 -0.04 1.64 1.80 1taqA1 LEU 494 HG 0.05 0.20 0.04 -0.04 1.64 1.89 1taqA1 LEU 494 HD13 0.06 -0.05 -0.03 -0.04 0.93 0.87 1taqA1 LEU 494 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 1taqA1 PHE 495 H 0.05 0.47 -0.44 -0.55 8.34 7.87 1taqA1 PHE 495 HA -0.01 0.08 0.72 -0.75 4.62 4.66 1taqA1 PHE 495 HB2 -0.00 -0.07 0.08 -0.04 3.15 3.12 1taqA1 PHE 495 HB3 -0.01 0.07 0.06 -0.04 3.06 3.14 1taqA1 PHE 495 HD2 -0.01 -0.03 0.06 -0.04 7.28 7.26 1taqA1 PHE 495 HE2 -0.00 -0.04 -0.04 -0.04 7.38 7.26 1taqA1 PHE 495 HZ 0.00 -0.04 -0.03 -0.04 7.32 7.21 1taqA1 ASP 496 H -0.32 0.25 -0.08 -0.55 8.40 7.71 1taqA1 ASP 496 HA -0.56 0.05 0.52 -0.75 4.63 3.88 1taqA1 ASP 496 HB2 -0.23 0.16 0.09 -0.04 2.71 2.70 1taqA1 ASP 496 HB3 -0.35 -0.06 0.14 -0.04 2.70 2.40 1taqA1 GLU 497 H -0.12 0.13 -0.70 -0.55 8.60 7.36 1taqA1 GLU 497 HA -0.09 0.04 0.43 -0.75 4.29 3.91 1taqA1 GLU 497 HB2 -0.12 0.02 0.15 -0.04 2.09 2.09 1taqA1 GLU 497 HB3 -0.14 -0.03 0.07 -0.04 1.99 1.85 1taqA1 GLU 497 HG2 -0.12 -0.05 -0.02 -0.04 2.34 2.11 1taqA1 GLU 497 HG3 -0.15 0.02 -0.88 -0.04 2.34 1.29 1taqA1 LEU 498 H -0.02 0.08 -0.07 -0.55 8.37 7.81 1taqA1 LEU 498 HA 0.02 0.43 0.55 -0.75 4.35 4.60 1taqA1 LEU 498 HB2 0.05 0.07 0.06 -0.04 1.64 1.78 1taqA1 LEU 498 HB3 0.02 -0.06 0.08 -0.04 1.64 1.64 1taqA1 LEU 498 HG 0.04 -0.06 -0.07 -0.04 1.64 1.51 1taqA1 LEU 498 HD13 0.06 -0.06 0.10 -0.04 0.93 0.98 1taqA1 LEU 498 HD23 0.05 -0.01 0.02 -0.04 0.89 0.92 1taqA1 GLY 499 H 0.04 0.22 0.05 -0.55 8.43 8.19 1taqA1 GLY 499 HA2 0.05 -0.07 0.34 -0.51 4.01 3.82 1taqA1 GLY 499 HA3 0.06 0.11 0.57 -0.51 4.01 4.23 1taqA1 LEU 500 H 0.04 0.13 0.05 -0.55 8.37 8.04 1taqA1 LEU 500 HA 0.04 0.09 0.47 -0.75 4.35 4.20 1taqA1 LEU 500 HB2 0.04 -0.07 -0.24 -0.04 1.64 1.33 1taqA1 LEU 500 HB3 0.04 -0.00 0.10 -0.04 1.64 1.73 1taqA1 LEU 500 HG 0.05 0.18 0.24 -0.04 1.64 2.06 1taqA1 LEU 500 HD13 0.05 -0.00 0.00 -0.04 0.93 0.94 1taqA1 LEU 500 HD23 0.04 -0.03 -0.00 -0.04 0.89 0.86 1taqA1 PRO 501 HA 0.02 0.16 0.75 -0.51 4.44 4.86 1taqA1 PRO 501 HB2 0.02 -0.27 0.27 -0.04 2.28 2.26 1taqA1 PRO 501 HB3 0.02 0.03 0.10 -0.04 2.02 2.14 1taqA1 PRO 501 HG2 0.03 0.08 0.05 -0.04 2.03 2.15 1taqA1 PRO 501 HG3 0.03 0.01 -0.03 -0.04 2.03 1.99 1taqA1 PRO 501 HD2 0.03 0.19 0.07 -0.04 3.68 3.93 1taqA1 PRO 501 HD3 0.04 0.11 0.05 -0.04 3.65 3.81 1taqA1 ALA 502 H 0.02 0.11 0.13 -0.55 8.40 8.12 1taqA1 ALA 502 HA 0.02 0.18 0.79 -0.75 4.34 4.58 1taqA1 ALA 502 HB3 0.02 -0.01 0.05 -0.04 1.41 1.43 1taqA1 ILE 503 H 0.02 0.10 0.09 -0.55 8.25 7.91 1taqA1 ILE 503 HA 0.03 0.22 0.99 -0.75 4.18 4.66 1taqA1 ILE 503 HB 0.02 -0.13 0.09 -0.04 1.89 1.83 1taqA1 ILE 503 HG12 0.03 -0.02 -0.20 -0.04 1.49 1.25 1taqA1 ILE 503 HG13 0.02 -0.10 -0.14 -0.04 1.21 0.95 1taqA1 ILE 503 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.75 1taqA1 ILE 503 HD13 0.02 0.00 -0.08 -0.04 0.88 0.79 1taqA1 GLY 504 H 0.02 0.17 -0.00 -0.55 8.43 8.07 1taqA1 GLY 504 HA2 0.02 0.14 0.43 -0.51 4.01 4.09 1taqA1 GLY 504 HA3 0.02 -0.01 0.42 -0.51 4.01 3.93 1taqA1 LYS 505 H 0.02 0.05 0.18 -0.55 8.42 8.10 1taqA1 LYS 505 HA 0.01 0.25 1.00 -0.75 4.32 4.83 1taqA1 LYS 505 HB2 0.01 -0.02 0.07 -0.04 1.87 1.90 1taqA1 LYS 505 HB3 0.01 0.01 0.02 -0.04 1.79 1.79 1taqA1 LYS 505 HG2 0.01 0.07 -0.07 -0.04 1.46 1.43 1taqA1 LYS 505 HG3 0.01 -0.05 -0.25 -0.04 1.46 1.13 1taqA1 LYS 505 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 1taqA1 LYS 505 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 1taqA1 LYS 505 HE2 0.00 0.02 -0.03 -0.04 2.99 2.95 1taqA1 LYS 505 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 1taqA1 THR 506 H 0.02 -0.04 0.13 -0.55 8.28 7.84 1taqA1 THR 506 HA 0.01 0.07 0.53 -0.75 4.39 4.25 1taqA1 THR 506 HB 0.02 0.08 -0.06 -0.04 4.32 4.32 1taqA1 THR 506 HG23 0.01 0.01 0.03 -0.04 1.22 1.23 1taqA1 GLU 507 H 0.01 0.10 0.15 -0.55 8.60 8.32 1taqA1 GLU 507 HA 0.01 -0.04 0.39 -0.75 4.29 3.91 1taqA1 GLU 507 HB2 0.02 0.20 0.26 -0.04 2.09 2.53 1taqA1 GLU 507 HB3 0.02 -0.08 0.11 -0.04 1.99 2.00 1taqA1 GLU 507 HG2 0.01 0.03 -0.04 -0.04 2.34 2.30 1taqA1 GLU 507 HG3 0.02 -0.15 -0.24 -0.04 2.34 1.93 1taqA1 LYS 508 H 0.01 0.11 0.12 -0.55 8.42 8.10 1taqA1 LYS 508 HA 0.01 0.29 1.08 -0.75 4.32 4.95 1taqA1 LYS 508 HB2 0.01 0.11 -0.13 -0.04 1.87 1.82 1taqA1 LYS 508 HB3 0.01 -0.02 0.05 -0.04 1.79 1.79 1taqA1 LYS 508 HG2 0.01 -0.01 -0.07 -0.04 1.46 1.35 1taqA1 LYS 508 HG3 0.01 0.02 -0.00 -0.04 1.46 1.45 1taqA1 LYS 508 HD2 0.01 0.06 -0.01 -0.04 1.69 1.71 1taqA1 LYS 508 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.60 1taqA1 LYS 508 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.93 1taqA1 LYS 508 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 1taqA1 THR 509 H 0.01 0.21 0.10 -0.55 8.28 8.05 1taqA1 THR 509 HA 0.01 0.07 0.35 -0.75 4.39 4.06 1taqA1 THR 509 HB 0.01 0.02 -0.06 -0.04 4.32 4.25 1taqA1 THR 509 HG23 0.01 0.01 0.05 -0.04 1.22 1.25 1taqA1 GLY 510 H 0.01 0.43 0.15 -0.55 8.43 8.48 1taqA1 GLY 510 HA2 0.01 0.18 0.58 -0.51 4.01 4.27 1taqA1 GLY 510 HA3 0.01 0.00 0.39 -0.51 4.01 3.90 1taqA1 LYS 511 H 0.01 0.21 0.17 -0.55 8.42 8.26 1taqA1 LYS 511 HA 0.02 0.14 0.36 -0.75 4.32 4.08 1taqA1 LYS 511 HB2 0.01 0.00 0.09 -0.04 1.87 1.93 1taqA1 LYS 511 HB3 0.01 0.04 0.10 -0.04 1.79 1.90 1taqA1 LYS 511 HG2 0.01 0.06 0.05 -0.04 1.46 1.53 1taqA1 LYS 511 HG3 0.01 -0.02 0.11 -0.04 1.46 1.52 1taqA1 LYS 511 HD2 0.01 0.01 0.03 -0.04 1.69 1.69 1taqA1 LYS 511 HD3 0.01 0.00 0.01 -0.04 1.68 1.66 1taqA1 LYS 511 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 1taqA1 LYS 511 HE3 0.01 0.00 0.03 -0.04 2.99 2.98 1taqA1 ARG 512 H 0.01 -0.02 -0.44 -0.55 8.46 7.47 1taqA1 ARG 512 HA 0.01 0.21 0.62 -0.75 4.34 4.42 1taqA1 ARG 512 HB2 0.01 0.10 0.00 -0.04 1.90 1.97 1taqA1 ARG 512 HB3 0.01 -0.06 0.03 -0.04 1.80 1.74 1taqA1 ARG 512 HG2 0.01 0.04 -0.08 -0.04 1.67 1.59 1taqA1 ARG 512 HG3 0.01 -0.07 -0.28 -0.04 1.67 1.29 1taqA1 ARG 512 HD2 0.01 -0.02 -0.41 -0.04 3.22 2.76 1taqA1 ARG 512 HD3 0.01 0.05 -0.10 -0.04 3.22 3.14 1taqA1 SER 513 H 0.01 0.01 -0.20 -0.55 8.46 7.74 1taqA1 SER 513 HA 0.02 0.08 0.35 -0.75 4.49 4.18 1taqA1 SER 513 HB2 0.01 0.17 -1.06 -0.04 3.95 3.03 1taqA1 SER 513 HB3 0.01 -0.03 -0.17 -0.04 3.93 3.70 1taqA1 THR 514 H 0.02 0.34 -0.53 -0.55 8.28 7.56 1taqA1 THR 514 HA 0.02 0.04 0.46 -0.75 4.39 4.16 1taqA1 THR 514 HB 0.03 0.01 -0.04 -0.04 4.32 4.27 1taqA1 THR 514 HG23 0.02 0.06 -0.14 -0.04 1.22 1.12 1taqA1 SER 515 H 0.02 0.33 -0.12 -0.55 8.46 8.15 1taqA1 SER 515 HA 0.03 0.04 0.19 -0.75 4.49 4.00 1taqA1 SER 515 HB2 0.02 0.01 0.10 -0.04 3.95 4.04 1taqA1 SER 515 HB3 0.03 -0.05 0.14 -0.04 3.93 4.00 1taqA1 ALA 516 H 0.02 0.01 -1.19 -0.55 8.40 6.69 1taqA1 ALA 516 HA 0.02 0.06 0.60 -0.75 4.34 4.27 1taqA1 ALA 516 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 1taqA1 ALA 517 H 0.02 0.36 0.15 -0.55 8.40 8.39 1taqA1 ALA 517 HA 0.03 0.22 0.98 -0.75 4.34 4.81 1taqA1 ALA 517 HB3 0.02 -0.01 0.06 -0.04 1.41 1.43 1taqA1 VAL 518 H 0.03 0.55 0.23 -0.55 8.24 8.49 1taqA1 VAL 518 HA 0.03 -0.04 0.37 -0.75 4.13 3.74 1taqA1 VAL 518 HB 0.03 -0.06 0.22 -0.04 2.12 2.27 1taqA1 VAL 518 HG13 0.04 0.03 -0.38 -0.04 0.97 0.61 1taqA1 VAL 518 HG23 0.03 -0.02 0.01 -0.04 0.95 0.93 1taqA1 LEU 519 H 0.04 0.13 0.08 -0.55 8.37 8.07 1taqA1 LEU 519 HA 0.05 0.01 0.35 -0.75 4.35 4.01 1taqA1 LEU 519 HB2 0.05 -0.07 -0.34 -0.04 1.64 1.24 1taqA1 LEU 519 HB3 0.05 0.35 -0.01 -0.04 1.64 1.98 1taqA1 LEU 519 HG 0.06 0.06 -0.14 -0.04 1.64 1.58 1taqA1 LEU 519 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.90 1taqA1 LEU 519 HD23 0.06 -0.01 -0.13 -0.04 0.89 0.78 1taqA1 GLU 520 H 0.04 0.66 -0.51 -0.55 8.60 8.25 1taqA1 GLU 520 HA 0.04 0.04 0.32 -0.75 4.29 3.94 1taqA1 GLU 520 HB2 0.03 0.19 0.09 -0.04 2.09 2.35 1taqA1 GLU 520 HB3 0.03 -0.03 0.06 -0.04 1.99 2.01 1taqA1 GLU 520 HG2 0.03 -0.01 0.04 -0.04 2.34 2.37 1taqA1 GLU 520 HG3 0.03 0.01 0.02 -0.04 2.34 2.36 1taqA1 ALA 521 H 0.03 0.19 -0.16 -0.55 8.40 7.92 1taqA1 ALA 521 HA 0.03 0.05 0.36 -0.75 4.34 4.03 1taqA1 ALA 521 HB3 0.03 -0.00 0.11 -0.04 1.41 1.51 1taqA1 LEU 522 H 0.04 0.06 -0.53 -0.55 8.37 7.40 1taqA1 LEU 522 HA 0.04 0.03 0.34 -0.75 4.35 4.00 1taqA1 LEU 522 HB2 0.06 0.10 0.11 -0.04 1.64 1.87 1taqA1 LEU 522 HB3 0.09 -0.02 0.10 -0.04 1.64 1.77 1taqA1 LEU 522 HG 0.06 -0.01 -0.04 -0.04 1.64 1.60 1taqA1 LEU 522 HD13 0.04 -0.08 -0.01 -0.04 0.93 0.84 1taqA1 LEU 522 HD23 0.06 0.00 0.05 -0.04 0.89 0.96 1taqA1 ARG 523 H 0.04 0.51 -0.24 -0.55 8.46 8.22 1taqA1 ARG 523 HA 0.05 0.03 0.19 -0.75 4.34 3.86 1taqA1 ARG 523 HB2 0.04 -0.10 0.05 -0.04 1.90 1.85 1taqA1 ARG 523 HB3 0.04 0.02 0.11 -0.04 1.80 1.93 1taqA1 ARG 523 HG2 0.03 0.13 0.15 -0.04 1.67 1.95 1taqA1 ARG 523 HG3 0.03 -0.07 0.03 -0.04 1.67 1.61 1taqA1 ARG 523 HD2 0.02 -0.03 -0.06 -0.04 3.22 3.11 1taqA1 ARG 523 HD3 0.02 -0.03 -0.19 -0.04 3.22 2.98 1taqA1 GLU 524 H 0.02 0.21 -0.42 -0.55 8.60 7.86 1taqA1 GLU 524 HA 0.00 0.04 0.30 -0.75 4.29 3.88 1taqA1 GLU 524 HB2 -0.01 -0.01 0.12 -0.04 2.09 2.15 1taqA1 GLU 524 HB3 -0.02 -0.02 -0.03 -0.04 1.99 1.87 1taqA1 GLU 524 HG2 0.01 0.09 0.07 -0.04 2.34 2.48 1taqA1 GLU 524 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35 1taqA1 ALA 525 H -0.09 0.14 -0.02 -0.55 8.40 7.88 1taqA1 ALA 525 HA -0.10 0.26 0.93 -0.75 4.34 4.68 1taqA1 ALA 525 HB3 -0.22 -0.01 0.09 -0.04 1.41 1.24 1taqA1 HIS 526 H -0.00 0.31 -0.37 -0.55 8.41 7.80 1taqA1 HIS 526 HA 0.01 0.27 0.97 -0.75 4.63 5.13 1taqA1 HIS 526 HB2 0.02 0.06 0.05 -0.04 3.26 3.36 1taqA1 HIS 526 HB3 0.02 -0.15 0.01 -0.04 3.20 3.03 1taqA1 HIS 526 HD2 0.01 -0.00 0.11 -0.04 6.97 7.04 1taqA1 HIS 526 HE1 0.01 0.01 -0.04 -0.04 7.75 7.69 1taqA1 PRO 527 HA 0.05 0.09 0.36 -0.51 4.44 4.43 1taqA1 PRO 527 HB2 0.05 0.01 0.07 -0.04 2.28 2.37 1taqA1 PRO 527 HB3 0.03 0.04 0.07 -0.04 2.02 2.13 1taqA1 PRO 527 HG2 0.04 0.06 0.08 -0.04 2.03 2.17 1taqA1 PRO 527 HG3 0.04 0.08 0.05 -0.04 2.03 2.15 1taqA1 PRO 527 HD2 0.13 0.09 0.20 -0.04 3.68 4.06 1taqA1 PRO 527 HD3 0.07 0.29 0.07 -0.04 3.65 4.04 1taqA1 ILE 528 H 0.08 0.15 -0.25 -0.55 8.25 7.68 1taqA1 ILE 528 HA 0.05 0.09 0.37 -0.75 4.18 3.94 1taqA1 ILE 528 HB 0.03 -0.00 0.03 -0.04 1.89 1.91 1taqA1 ILE 528 HG12 0.03 0.05 -0.11 -0.04 1.49 1.43 1taqA1 ILE 528 HG13 0.08 -0.02 -0.27 -0.04 1.21 0.96 1taqA1 ILE 528 HG23 0.01 0.01 -0.04 -0.04 0.93 0.87 1taqA1 ILE 528 HD13 0.11 0.01 -0.03 -0.04 0.88 0.93 1taqA1 VAL 529 H 0.10 0.23 -0.20 -0.55 8.24 7.83 1taqA1 VAL 529 HA 0.08 0.05 0.39 -0.75 4.13 3.89 1taqA1 VAL 529 HB 0.08 -0.02 -0.02 -0.04 2.12 2.12 1taqA1 VAL 529 HG13 0.08 -0.01 -0.05 -0.04 0.97 0.94 1taqA1 VAL 529 HG23 0.14 0.03 -0.02 -0.04 0.95 1.05 1taqA1 GLU 530 H 0.06 0.30 -0.63 -0.55 8.60 7.78 1taqA1 GLU 530 HA 0.05 0.14 0.89 -0.75 4.29 4.62 1taqA1 GLU 530 HB2 0.04 0.26 0.00 -0.04 2.09 2.36 1taqA1 GLU 530 HB3 0.04 0.02 0.14 -0.04 1.99 2.15 1taqA1 GLU 530 HG2 0.02 0.01 -0.04 -0.04 2.34 2.29 1taqA1 GLU 530 HG3 0.03 -0.08 -0.22 -0.04 2.34 2.03 1taqA1 LYS 531 H 0.04 0.79 0.23 -0.55 8.42 8.93 1taqA1 LYS 531 HA 0.03 0.00 0.45 -0.75 4.32 4.05 1taqA1 LYS 531 HB2 0.02 0.09 0.09 -0.04 1.87 2.03 1taqA1 LYS 531 HB3 0.01 0.00 0.08 -0.04 1.79 1.84 1taqA1 LYS 531 HG2 0.03 0.37 0.12 -0.04 1.46 1.94 1taqA1 LYS 531 HG3 0.02 -0.02 -0.07 -0.04 1.46 1.34 1taqA1 LYS 531 HD2 0.02 -0.05 0.02 -0.04 1.69 1.65 1taqA1 LYS 531 HD3 0.02 -0.02 0.00 -0.04 1.68 1.64 1taqA1 LYS 531 HE2 0.00 0.00 -0.02 -0.04 2.99 2.94 1taqA1 LYS 531 HE3 0.00 0.01 0.02 -0.04 2.99 2.99 1taqA1 ILE 532 H 0.05 0.34 -0.34 -0.55 8.25 7.75 1taqA1 ILE 532 HA 0.04 0.01 0.30 -0.75 4.18 3.78 1taqA1 ILE 532 HB 0.07 0.26 0.10 -0.04 1.89 2.28 1taqA1 ILE 532 HG12 0.08 -0.05 -0.06 -0.04 1.49 1.42 1taqA1 ILE 532 HG13 0.03 -0.04 0.03 -0.04 1.21 1.19 1taqA1 ILE 532 HG23 0.07 -0.00 -0.31 -0.04 0.93 0.64 1taqA1 ILE 532 HD13 0.11 -0.00 -0.07 -0.04 0.88 0.88 1taqA1 LEU 533 H 0.06 0.30 -0.50 -0.55 8.37 7.68 1taqA1 LEU 533 HA 0.06 0.04 0.44 -0.75 4.35 4.14 1taqA1 LEU 533 HB2 0.04 0.21 0.21 -0.04 1.64 2.06 1taqA1 LEU 533 HB3 0.04 -0.06 -0.01 -0.04 1.64 1.57 1taqA1 LEU 533 HG 0.05 0.19 0.14 -0.04 1.64 1.97 1taqA1 LEU 533 HD13 0.03 -0.01 0.03 -0.04 0.93 0.94 1taqA1 LEU 533 HD23 0.05 -0.03 -0.04 -0.04 0.89 0.83 1taqA1 GLN 534 H 0.05 0.49 -0.03 -0.55 8.47 8.43 1taqA1 GLN 534 HA 0.03 -0.03 0.29 -0.75 4.36 3.89 1taqA1 GLN 534 HB2 0.05 0.18 0.18 -0.04 2.15 2.52 1taqA1 GLN 534 HB3 0.03 -0.04 0.02 -0.04 2.02 1.99 1taqA1 GLN 534 HG2 0.02 -0.05 0.04 -0.04 2.40 2.38 1taqA1 GLN 534 HG3 0.03 0.16 0.08 -0.04 2.39 2.62 1taqA1 GLN 534 HE21 0.01 -0.02 -0.00 -0.04 6.97 6.92 1taqA1 GLN 534 HE22 0.02 -0.01 0.01 -0.04 7.69 7.66 1taqA1 TYR 535 H 0.16 0.49 -0.35 -0.55 8.29 8.03 1taqA1 TYR 535 HA -0.02 0.04 0.50 -0.75 4.56 4.32 1taqA1 TYR 535 HB2 -0.05 0.04 -0.04 -0.04 3.06 2.97 1taqA1 TYR 535 HB3 -0.03 0.04 0.12 -0.04 2.98 3.07 1taqA1 TYR 535 HD2 -0.05 0.07 -0.03 -0.04 7.15 7.10 1taqA1 TYR 535 HE2 -0.05 -0.02 -0.11 -0.04 6.85 6.63 1taqA1 ARG 536 H 0.28 0.49 0.06 -0.55 8.46 8.74 1taqA1 ARG 536 HA 0.01 -0.06 0.36 -0.75 4.34 3.89 1taqA1 ARG 536 HB2 0.16 -0.01 0.21 -0.04 1.90 2.21 1taqA1 ARG 536 HB3 0.08 0.12 0.27 -0.04 1.80 2.23 1taqA1 ARG 536 HG2 0.03 -0.01 -0.16 -0.04 1.67 1.48 1taqA1 ARG 536 HG3 0.06 -0.09 0.06 -0.04 1.67 1.66 1taqA1 ARG 536 HD2 0.06 -0.04 -0.02 -0.04 3.22 3.19 1taqA1 ARG 536 HD3 0.05 0.02 -0.01 -0.04 3.22 3.24 1taqA1 GLU 537 H 0.02 0.70 -0.30 -0.55 8.60 8.47 1taqA1 GLU 537 HA -0.01 0.04 0.59 -0.75 4.29 4.16 1taqA1 GLU 537 HB2 0.01 0.10 0.02 -0.04 2.09 2.18 1taqA1 GLU 537 HB3 0.01 -0.06 -0.02 -0.04 1.99 1.88 1taqA1 GLU 537 HG2 0.02 -0.02 -0.00 -0.04 2.34 2.30 1taqA1 GLU 537 HG3 0.03 -0.03 -0.03 -0.04 2.34 2.26 1taqA1 LEU 538 H -0.03 0.52 -0.02 -0.55 8.37 8.29 1taqA1 LEU 538 HA -0.02 -0.07 0.39 -0.75 4.35 3.90 1taqA1 LEU 538 HB2 -0.02 0.49 0.32 -0.04 1.64 2.39 1taqA1 LEU 538 HB3 -0.08 0.01 0.09 -0.04 1.64 1.61 1taqA1 LEU 538 HG -0.01 -0.07 0.06 -0.04 1.64 1.58 1taqA1 LEU 538 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1taqA1 LEU 538 HD23 -0.02 -0.03 0.01 -0.04 0.89 0.81 1taqA1 THR 539 H -0.19 0.56 -0.38 -0.55 8.28 7.72 1taqA1 THR 539 HA -0.14 0.04 0.44 -0.75 4.39 3.97 1taqA1 THR 539 HB -0.19 -0.06 0.01 -0.04 4.32 4.04 1taqA1 THR 539 HG23 -0.65 0.09 -0.07 -0.04 1.22 0.55 1taqA1 LYS 540 H -0.07 0.37 -0.13 -0.55 8.42 8.04 1taqA1 LYS 540 HA -0.04 0.01 0.42 -0.75 4.32 3.96 1taqA1 LYS 540 HB2 0.00 0.14 0.24 -0.04 1.87 2.21 1taqA1 LYS 540 HB3 -0.01 -0.06 0.06 -0.04 1.79 1.74 1taqA1 LYS 540 HG2 -0.03 -0.07 0.07 -0.04 1.46 1.40 1taqA1 LYS 540 HG3 -0.04 0.22 0.22 -0.04 1.46 1.82 1taqA1 LYS 540 HD2 0.00 -0.02 0.08 -0.04 1.69 1.72 1taqA1 LYS 540 HD3 0.00 -0.05 0.03 -0.04 1.68 1.62 1taqA1 LYS 540 HE2 -0.00 -0.06 0.02 -0.04 2.99 2.91 1taqA1 LYS 540 HE3 -0.00 0.18 -0.07 -0.04 2.99 3.06 1taqA1 LEU 541 H 0.02 0.55 -0.04 -0.55 8.37 8.35 1taqA1 LEU 541 HA 0.21 0.02 0.31 -0.75 4.35 4.14 1taqA1 LEU 541 HB2 0.06 0.06 0.08 -0.04 1.64 1.80 1taqA1 LEU 541 HB3 0.05 0.09 0.03 -0.04 1.64 1.77 1taqA1 LEU 541 HG 0.19 -0.03 -0.01 -0.04 1.64 1.75 1taqA1 LEU 541 HD13 0.11 0.01 0.02 -0.04 0.93 1.03 1taqA1 LEU 541 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1taqA1 LYS 542 H -0.00 0.45 -0.43 -0.55 8.42 7.89 1taqA1 LYS 542 HA 0.04 0.00 0.51 -0.75 4.32 4.11 1taqA1 LYS 542 HB2 -0.02 -0.00 0.07 -0.04 1.87 1.88 1taqA1 LYS 542 HB3 -0.04 0.17 0.22 -0.04 1.79 2.09 1taqA1 LYS 542 HG2 -0.03 0.03 -0.31 -0.04 1.46 1.11 1taqA1 LYS 542 HG3 -0.01 -0.10 -0.08 -0.04 1.46 1.22 1taqA1 LYS 542 HD2 -0.03 0.01 -0.14 -0.04 1.69 1.48 1taqA1 LYS 542 HD3 -0.05 0.00 -0.06 -0.04 1.68 1.53 1taqA1 LYS 542 HE2 -0.03 -0.01 -0.08 -0.04 2.99 2.83 1taqA1 LYS 542 HE3 -0.02 -0.02 -0.06 -0.04 2.99 2.84 1taqA1 SER 543 H -0.04 0.72 0.03 -0.55 8.46 8.63 1taqA1 SER 543 HA -0.05 -0.01 0.52 -0.75 4.49 4.19 1taqA1 SER 543 HB2 -0.06 -0.07 0.09 -0.04 3.95 3.88 1taqA1 SER 543 HB3 -0.06 0.04 0.12 -0.04 3.93 4.00 1taqA1 THR 544 H -0.09 0.49 -0.22 -0.55 8.28 7.91 1taqA1 THR 544 HA -0.23 0.11 0.77 -0.75 4.39 4.29 1taqA1 THR 544 HB -0.40 0.05 0.01 -0.04 4.32 3.94 1taqA1 THR 544 HG23 -0.76 -0.03 -0.06 -0.04 1.22 0.33 1taqA1 TYR 545 H -0.01 0.38 -0.08 -0.55 8.29 8.03 1taqA1 TYR 545 HA 0.06 0.19 1.04 -0.75 4.56 5.10 1taqA1 TYR 545 HB2 0.04 0.19 0.08 -0.04 3.06 3.33 1taqA1 TYR 545 HB3 0.09 -0.04 0.04 -0.04 2.98 3.03 1taqA1 TYR 545 HD2 0.07 0.03 -0.04 -0.04 7.15 7.17 1taqA1 TYR 545 HE2 0.05 -0.01 -0.24 -0.04 6.85 6.60 1taqA1 ILE 546 H 0.05 0.44 0.17 -0.55 8.25 8.36 1taqA1 ILE 546 HA 0.08 0.23 1.10 -0.75 4.18 4.84 1taqA1 ILE 546 HB 0.03 0.06 0.13 -0.04 1.89 2.06 1taqA1 ILE 546 HG12 0.10 0.06 -0.15 -0.04 1.49 1.46 1taqA1 ILE 546 HG13 0.11 -0.03 -0.23 -0.04 1.21 1.02 1taqA1 ILE 546 HG23 0.01 -0.02 -0.02 -0.04 0.93 0.86 1taqA1 ILE 546 HD13 0.03 -0.02 -0.11 -0.04 0.88 0.74 1taqA1 ASP 547 H -0.01 0.25 0.11 -0.55 8.40 8.21 1taqA1 ASP 547 HA -0.01 0.20 0.89 -0.75 4.63 4.95 1taqA1 ASP 547 HB2 -0.03 0.09 0.13 -0.04 2.71 2.85 1taqA1 ASP 547 HB3 -0.03 -0.03 -0.01 -0.04 2.70 2.59 1taqA1 PRO 548 HA -0.05 0.08 0.39 -0.51 4.44 4.34 1taqA1 PRO 548 HB2 -0.06 0.04 -0.14 -0.04 2.28 2.08 1taqA1 PRO 548 HB3 -0.08 -0.00 0.03 -0.04 2.02 1.93 1taqA1 PRO 548 HG2 -0.10 0.10 0.08 -0.04 2.03 2.06 1taqA1 PRO 548 HG3 -0.07 0.02 0.08 -0.04 2.03 2.02 1taqA1 PRO 548 HD2 -0.04 0.04 -0.32 -0.04 3.68 3.31 1taqA1 PRO 548 HD3 -0.05 0.08 0.05 -0.04 3.65 3.69 1taqA1 LEU 549 H -0.00 0.08 -0.69 -0.55 8.37 7.21 1taqA1 LEU 549 HA -0.00 0.06 0.18 -0.75 4.35 3.83 1taqA1 LEU 549 HB2 0.02 0.06 -0.23 -0.04 1.64 1.45 1taqA1 LEU 549 HB3 -0.03 -0.03 -0.20 -0.04 1.64 1.34 1taqA1 LEU 549 HG 0.01 -0.02 -0.08 -0.04 1.64 1.50 1taqA1 LEU 549 HD13 0.08 -0.05 -0.21 -0.04 0.93 0.71 1taqA1 LEU 549 HD23 0.08 0.09 -0.01 -0.04 0.89 1.01 1taqA1 PRO 550 HA 0.01 0.04 0.42 -0.51 4.44 4.40 1taqA1 PRO 550 HB2 0.01 0.02 -0.02 -0.04 2.28 2.24 1taqA1 PRO 550 HB3 0.00 -0.04 0.07 -0.04 2.02 2.00 1taqA1 PRO 550 HG2 -0.01 0.05 -0.01 -0.04 2.03 2.02 1taqA1 PRO 550 HG3 -0.01 0.02 0.03 -0.04 2.03 2.03 1taqA1 PRO 550 HD2 -0.01 0.22 -0.53 -0.04 3.68 3.33 1taqA1 PRO 550 HD3 -0.00 0.16 -0.04 -0.04 3.65 3.73 1taqA1 ASP 551 H -0.01 0.27 -0.43 -0.55 8.40 7.69 1taqA1 ASP 551 HA 0.02 0.08 0.48 -0.75 4.63 4.46 1taqA1 ASP 551 HB2 -0.03 -0.02 0.05 -0.04 2.71 2.67 1taqA1 ASP 551 HB3 -0.06 0.14 -0.00 -0.04 2.70 2.73 1taqA1 LEU 552 H 0.02 0.29 -0.38 -0.55 8.37 7.75 1taqA1 LEU 552 HA -0.09 0.10 0.61 -0.75 4.35 4.21 1taqA1 LEU 552 HB2 0.03 0.08 -0.01 -0.04 1.64 1.71 1taqA1 LEU 552 HB3 0.11 -0.06 0.11 -0.04 1.64 1.76 1taqA1 LEU 552 HG -0.12 0.05 -0.14 -0.04 1.64 1.38 1taqA1 LEU 552 HD13 -0.03 -0.01 -0.30 -0.04 0.93 0.55 1taqA1 LEU 552 HD23 -0.28 -0.00 -0.01 -0.04 0.89 0.55 1taqA1 ILE 553 H 0.16 0.21 -0.64 -0.55 8.25 7.43 1taqA1 ILE 553 HA 0.17 0.03 0.23 -0.75 4.18 3.85 1taqA1 ILE 553 HB 0.11 0.06 0.07 -0.04 1.89 2.09 1taqA1 ILE 553 HG12 0.06 0.05 -0.02 -0.04 1.49 1.54 1taqA1 ILE 553 HG13 0.04 -0.06 0.07 -0.04 1.21 1.21 1taqA1 ILE 553 HG23 0.05 0.00 -0.30 -0.04 0.93 0.65 1taqA1 ILE 553 HD13 0.00 -0.02 -0.10 -0.04 0.88 0.72 1taqA1 HIS 554 H 0.31 0.56 0.20 -0.55 8.41 8.94 1taqA1 HIS 554 HA -0.65 0.13 0.42 -0.75 4.63 3.77 1taqA1 HIS 554 HB2 -0.08 0.19 0.20 -0.04 3.26 3.53 1taqA1 HIS 554 HB3 -0.07 -0.24 0.16 -0.04 3.20 3.01 1taqA1 HIS 554 HD2 -2.58 -0.04 -0.10 -0.04 6.97 4.21 1taqA1 HIS 554 HE1 -0.32 0.04 0.05 -0.04 7.75 7.48 1taqA1 PRO 555 HA -0.04 0.09 0.37 -0.51 4.44 4.35 1taqA1 PRO 555 HB2 -0.12 0.03 -0.03 -0.04 2.28 2.12 1taqA1 PRO 555 HB3 -0.09 0.03 0.11 -0.04 2.02 2.04 1taqA1 PRO 555 HG2 -0.56 -0.07 0.13 -0.04 2.03 1.50 1taqA1 PRO 555 HG3 -0.31 0.05 0.09 -0.04 2.03 1.82 1taqA1 PRO 555 HD2 -1.49 0.08 0.24 -0.04 3.68 2.48 1taqA1 PRO 555 HD3 -0.21 0.22 0.21 -0.04 3.65 3.82 1taqA1 ARG 556 H -0.05 0.10 -0.07 -0.55 8.46 7.89 1taqA1 ARG 556 HA -0.01 0.14 0.70 -0.75 4.34 4.41 1taqA1 ARG 556 HB2 0.10 0.02 0.06 -0.04 1.90 2.04 1taqA1 ARG 556 HB3 -0.00 0.06 0.06 -0.04 1.80 1.87 1taqA1 ARG 556 HG2 -0.04 -0.02 -0.00 -0.04 1.67 1.56 1taqA1 ARG 556 HG3 -0.08 -0.07 0.06 -0.04 1.67 1.54 1taqA1 ARG 556 HD2 0.08 0.07 0.03 -0.04 3.22 3.36 1taqA1 ARG 556 HD3 -0.01 0.05 0.02 -0.04 3.22 3.24 1taqA1 THR 557 H 0.18 -0.03 -0.17 -0.55 8.28 7.71 1taqA1 THR 557 HA -0.01 0.23 0.77 -0.75 4.39 4.62 1taqA1 THR 557 HB 0.05 0.11 -0.03 -0.04 4.32 4.40 1taqA1 THR 557 HG23 -0.21 0.01 -0.04 -0.04 1.22 0.94 1taqA1 GLY 558 H 0.07 0.57 0.03 -0.55 8.43 8.55 1taqA1 GLY 558 HA2 0.03 0.05 0.21 -0.51 4.01 3.78 1taqA1 GLY 558 HA3 -0.00 0.03 0.39 -0.51 4.01 3.92 1taqA1 ARG 559 H 0.05 0.10 -0.06 -0.55 8.46 8.00 1taqA1 ARG 559 HA -0.08 0.13 0.87 -0.75 4.34 4.51 1taqA1 ARG 559 HB2 -0.26 0.01 -0.23 -0.04 1.90 1.39 1taqA1 ARG 559 HB3 -0.27 -0.02 -0.17 -0.04 1.80 1.29 1taqA1 ARG 559 HG2 -0.11 -0.11 -0.44 -0.04 1.67 0.97 1taqA1 ARG 559 HG3 -0.08 0.09 -0.65 -0.04 1.67 0.99 1taqA1 ARG 559 HD2 -0.10 0.07 -0.11 -0.04 3.22 3.05 1taqA1 ARG 559 HD3 -0.15 0.19 -0.31 -0.04 3.22 2.91 1taqA1 LEU 560 H -0.12 0.58 0.30 -0.55 8.37 8.58 1taqA1 LEU 560 HA 0.11 0.29 0.70 -0.75 4.35 4.70 1taqA1 LEU 560 HB2 -0.01 0.00 -0.01 -0.04 1.64 1.58 1taqA1 LEU 560 HB3 -0.04 -0.02 0.16 -0.04 1.64 1.69 1taqA1 LEU 560 HG 0.07 -0.00 -0.31 -0.04 1.64 1.36 1taqA1 LEU 560 HD13 0.08 0.05 -0.02 -0.04 0.93 1.00 1taqA1 LEU 560 HD23 0.13 -0.03 -0.05 -0.04 0.89 0.89 1taqA1 HIS 561 H 0.30 0.23 0.13 -0.55 8.41 8.52 1taqA1 HIS 561 HA 0.04 0.16 1.09 -0.75 4.63 5.17 1taqA1 HIS 561 HB2 0.16 -0.16 0.23 -0.04 3.26 3.45 1taqA1 HIS 561 HB3 0.02 0.28 0.19 -0.04 3.20 3.65 1taqA1 HIS 561 HD2 0.01 -0.03 0.05 -0.04 6.97 6.96 1taqA1 HIS 561 HE1 -0.14 0.19 -0.42 -0.04 7.75 7.34 1taqA1 THR 562 H -0.00 0.11 -0.00 -0.55 8.28 7.83 1taqA1 THR 562 HA -0.05 0.22 0.41 -0.75 4.39 4.22 1taqA1 THR 562 HB -0.25 0.01 0.00 -0.04 4.32 4.04 1taqA1 THR 562 HG23 -0.33 0.02 -0.08 -0.04 1.22 0.79 1taqA1 ARG 563 H -0.20 0.57 0.35 -0.55 8.46 8.63 1taqA1 ARG 563 HA -0.18 0.18 0.87 -0.75 4.34 4.45 1taqA1 ARG 563 HB2 -0.07 -0.12 0.10 -0.04 1.90 1.76 1taqA1 ARG 563 HB3 -0.03 -0.06 0.01 -0.04 1.80 1.67 1taqA1 ARG 563 HG2 0.03 0.02 -0.06 -0.04 1.67 1.62 1taqA1 ARG 563 HG3 -0.01 0.20 -0.06 -0.04 1.67 1.76 1taqA1 ARG 563 HD2 0.04 0.01 -0.03 -0.04 3.22 3.19 1taqA1 ARG 563 HD3 -0.01 -0.07 -0.11 -0.04 3.22 2.98 1taqA1 PHE 564 H 0.00 0.20 0.11 -0.55 8.34 8.09 1taqA1 PHE 564 HA 0.01 0.33 1.15 -0.75 4.62 5.36 1taqA1 PHE 564 HB2 -0.00 -0.03 0.12 -0.04 3.15 3.20 1taqA1 PHE 564 HB3 -0.01 0.01 -0.07 -0.04 3.06 2.95 1taqA1 PHE 564 HD2 0.00 0.03 -0.06 -0.04 7.28 7.22 1taqA1 PHE 564 HE2 -0.00 0.06 -0.11 -0.04 7.38 7.29 1taqA1 PHE 564 HZ -0.03 -0.01 0.02 -0.04 7.32 7.26 1taqA1 ASN 565 H 0.10 0.87 0.26 -0.55 8.53 9.21 1taqA1 ASN 565 HA 0.02 0.03 0.80 -0.75 4.76 4.85 1taqA1 ASN 565 HB2 0.01 0.00 -0.04 -0.04 2.88 2.81 1taqA1 ASN 565 HB3 0.00 0.01 0.08 -0.04 2.79 2.84 1taqA1 ASN 565 HD21 -0.04 0.02 -0.01 -0.04 7.03 6.96 1taqA1 ASN 565 HD22 -0.02 0.01 -0.07 -0.04 7.74 7.62 1taqA1 GLN 566 H -0.02 0.10 0.12 -0.55 8.47 8.13 1taqA1 GLN 566 HA -0.03 0.12 0.42 -0.75 4.36 4.12 1taqA1 GLN 566 HB2 -0.02 0.01 0.06 -0.04 2.15 2.16 1taqA1 GLN 566 HB3 -0.06 -0.09 -0.08 -0.04 2.02 1.74 1taqA1 GLN 566 HG2 -0.01 0.02 -0.08 -0.04 2.40 2.29 1taqA1 GLN 566 HG3 -0.01 0.05 -0.03 -0.04 2.39 2.36 1taqA1 GLN 566 HE21 -0.00 0.29 0.02 -0.04 6.97 7.24 1taqA1 GLN 566 HE22 0.03 -0.10 0.02 -0.04 7.69 7.60 1taqA1 THR 567 H -0.21 -0.10 -0.17 -0.55 8.28 7.25 1taqA1 THR 567 HA -1.81 0.24 0.62 -0.75 4.39 2.68 1taqA1 THR 567 HB -0.76 0.18 0.15 -0.04 4.32 3.86 1taqA1 THR 567 HG23 -0.23 -0.02 -0.15 -0.04 1.22 0.78 1taqA1 ALA 568 H -0.17 0.13 0.08 -0.55 8.40 7.90 1taqA1 ALA 568 HA 0.00 -0.04 0.41 -0.75 4.34 3.96 1taqA1 ALA 568 HB3 -0.02 0.06 -0.14 -0.04 1.41 1.26 1taqA1 THR 569 H 0.06 0.55 0.03 -0.55 8.28 8.38 1taqA1 THR 569 HA 0.09 0.18 0.86 -0.75 4.39 4.76 1taqA1 THR 569 HB 0.10 -0.25 0.18 -0.04 4.32 4.31 1taqA1 THR 569 HG23 0.07 0.04 -0.07 -0.04 1.22 1.21 1taqA1 ALA 570 H 0.09 0.07 0.16 -0.55 8.40 8.17 1taqA1 ALA 570 HA 0.09 0.27 0.55 -0.75 4.34 4.50 1taqA1 ALA 570 HB3 0.06 -0.00 0.06 -0.04 1.41 1.48 1taqA1 THR 571 H 0.10 -0.05 0.01 -0.55 8.28 7.79 1taqA1 THR 571 HA 0.07 0.23 0.58 -0.75 4.39 4.51 1taqA1 THR 571 HB 0.09 0.04 -0.14 -0.04 4.32 4.27 1taqA1 THR 571 HG23 0.08 0.01 -0.03 -0.04 1.22 1.23 1taqA1 GLY 572 H 0.18 0.02 -0.38 -0.55 8.43 7.70 1taqA1 GLY 572 HA2 0.36 0.12 0.15 -0.51 4.01 4.13 1taqA1 GLY 572 HA3 0.16 0.18 0.69 -0.51 4.01 4.53 1taqA1 ARG 573 H 0.13 -0.20 -0.11 -0.55 8.46 7.73 1taqA1 ARG 573 HA 0.09 0.15 0.67 -0.75 4.34 4.49 1taqA1 ARG 573 HB2 0.09 -0.18 0.03 -0.04 1.90 1.80 1taqA1 ARG 573 HB3 0.08 0.15 -0.09 -0.04 1.80 1.90 1taqA1 ARG 573 HG2 0.08 0.06 0.03 -0.04 1.67 1.80 1taqA1 ARG 573 HG3 0.09 -0.01 -0.10 -0.04 1.67 1.61 1taqA1 ARG 573 HD2 0.09 0.00 0.00 -0.04 3.22 3.28 1taqA1 ARG 573 HD3 0.09 0.09 0.02 -0.04 3.22 3.38 1taqA1 LEU 574 H 0.05 0.08 0.11 -0.55 8.37 8.07 1taqA1 LEU 574 HA 0.04 0.22 0.43 -0.75 4.35 4.29 1taqA1 LEU 574 HB2 0.03 -0.06 0.06 -0.04 1.64 1.64 1taqA1 LEU 574 HB3 0.08 0.03 -0.08 -0.04 1.64 1.64 1taqA1 LEU 574 HG -0.01 -0.02 0.03 -0.04 1.64 1.60 1taqA1 LEU 574 HD13 -0.21 0.00 -0.07 -0.04 0.93 0.61 1taqA1 LEU 574 HD23 -0.02 0.02 -0.09 -0.04 0.89 0.75 1taqA1 CYS 575 H 0.07 0.68 0.36 -0.55 8.50 9.06 1taqA1 CYS 575 HA 0.07 0.10 0.91 -0.75 4.58 4.90 1taqA1 CYS 575 HB2 0.04 0.10 0.06 -0.04 2.97 3.12 1taqA1 CYS 575 HB3 0.03 -0.11 0.11 -0.04 2.97 2.96 1taqA1 CYS 576 H 0.07 0.12 0.20 -0.55 8.50 8.35 1taqA1 CYS 576 HA -0.01 0.39 0.90 -0.75 4.58 5.12 1taqA1 CYS 576 HB2 -0.15 0.09 0.18 -0.04 2.97 3.04 1taqA1 CYS 576 HB3 0.19 0.07 0.08 -0.04 2.97 3.27 1taqA1 CYS 577 H -0.10 0.53 0.30 -0.55 8.50 8.68 1taqA1 CYS 577 HA 0.00 0.01 0.33 -0.75 4.58 4.16 1taqA1 CYS 577 HB2 -0.02 -0.02 0.02 -0.04 2.97 2.91 1taqA1 CYS 577 HB3 -0.00 0.07 -0.02 -0.04 2.97 2.97 1taqA1 ASP 578 H -0.02 0.05 0.01 -0.55 8.40 7.89 1taqA1 ASP 578 HA -0.03 0.01 0.29 -0.75 4.63 4.15 1taqA1 ASP 578 HB2 -0.02 0.20 0.14 -0.04 2.71 3.00 1taqA1 ASP 578 HB3 -0.05 0.06 0.14 -0.04 2.70 2.81 1taqA1 PRO 579 HA 0.01 -0.04 0.28 -0.51 4.44 4.17 1taqA1 PRO 579 HB2 0.24 0.04 -0.13 -0.04 2.28 2.39 1taqA1 PRO 579 HB3 0.08 0.12 0.00 -0.04 2.02 2.19 1taqA1 PRO 579 HG2 0.28 -0.08 -0.24 -0.04 2.03 1.95 1taqA1 PRO 579 HG3 0.36 0.09 -0.06 -0.04 2.03 2.38 1taqA1 PRO 579 HD2 0.14 0.07 0.04 -0.04 3.68 3.89 1taqA1 PRO 579 HD3 0.12 0.17 0.28 -0.04 3.65 4.17 1taqA1 ASN 580 H 0.10 0.22 -0.00 -0.55 8.53 8.30 1taqA1 ASN 580 HA 0.09 0.19 0.43 -0.75 4.76 4.72 1taqA1 ASN 580 HB2 0.06 0.04 0.16 -0.04 2.88 3.10 1taqA1 ASN 580 HB3 0.16 0.01 0.20 -0.04 2.79 3.12 1taqA1 ASN 580 HD21 0.08 0.02 0.04 -0.04 7.03 7.13 1taqA1 ASN 580 HD22 0.08 0.03 0.06 -0.04 7.74 7.88 1taqA1 LEU 581 H 0.12 0.40 -0.01 -0.55 8.37 8.34 1taqA1 LEU 581 HA 0.13 0.09 0.26 -0.75 4.35 4.07 1taqA1 LEU 581 HB2 0.10 -0.01 -0.03 -0.04 1.64 1.67 1taqA1 LEU 581 HB3 0.16 0.01 -0.06 -0.04 1.64 1.72 1taqA1 LEU 581 HG 0.12 0.15 -0.03 -0.04 1.64 1.85 1taqA1 LEU 581 HD13 0.07 0.01 -0.08 -0.04 0.93 0.90 1taqA1 LEU 581 HD23 0.16 0.00 -0.11 -0.04 0.89 0.91 1taqA1 GLN 582 H 0.06 0.04 -0.36 -0.55 8.47 7.66 1taqA1 GLN 582 HA -0.21 0.04 0.39 -0.75 4.36 3.81 1taqA1 GLN 582 HB2 0.01 -0.00 0.12 -0.04 2.15 2.24 1taqA1 GLN 582 HB3 0.06 -0.00 0.03 -0.04 2.02 2.07 1taqA1 GLN 582 HG2 0.05 0.03 0.02 -0.04 2.40 2.46 1taqA1 GLN 582 HG3 0.09 0.03 -0.04 -0.04 2.39 2.43 1taqA1 GLN 582 HE21 0.01 -0.02 0.09 -0.04 6.97 7.01 1taqA1 GLN 582 HE22 0.05 0.06 0.05 -0.04 7.69 7.80 1taqA1 ASN 583 H 0.12 0.17 -0.23 -0.55 8.53 8.04 1taqA1 ASN 583 HA 0.09 0.12 0.45 -0.75 4.76 4.66 1taqA1 ASN 583 HB2 0.27 0.05 0.03 -0.04 2.88 3.19 1taqA1 ASN 583 HB3 0.15 -0.02 0.10 -0.04 2.79 2.98 1taqA1 ASN 583 HD21 0.08 -0.01 -0.00 -0.04 7.03 7.06 1taqA1 ASN 583 HD22 0.11 0.01 0.01 -0.04 7.74 7.82 1taqA1 ILE 584 H -0.08 0.30 -0.73 -0.55 8.25 7.18 1taqA1 ILE 584 HA -0.77 0.02 0.44 -0.75 4.18 3.11 1taqA1 ILE 584 HB -0.18 0.18 0.06 -0.04 1.89 1.91 1taqA1 ILE 584 HG12 -0.94 -0.02 -0.08 -0.04 1.49 0.41 1taqA1 ILE 584 HG13 -0.18 -0.01 -0.04 -0.04 1.21 0.93 1taqA1 ILE 584 HG23 -0.28 -0.03 -0.19 -0.04 0.93 0.39 1taqA1 ILE 584 HD13 0.04 -0.01 -0.09 -0.04 0.88 0.77 1taqA1 PRO 585 HA -0.07 0.07 0.41 -0.51 4.44 4.34 1taqA1 PRO 585 HB2 -0.07 -0.09 -0.00 -0.04 2.28 2.08 1taqA1 PRO 585 HB3 -0.05 0.08 0.07 -0.04 2.02 2.08 1taqA1 PRO 585 HG2 -0.12 -0.16 0.10 -0.04 2.03 1.82 1taqA1 PRO 585 HG3 -0.07 0.02 0.02 -0.04 2.03 1.96 1taqA1 PRO 585 HD2 -0.36 0.06 0.18 -0.04 3.68 3.53 1taqA1 PRO 585 HD3 -0.18 0.25 0.21 -0.04 3.65 3.89 1taqA1 VAL 586 H -0.07 0.18 0.17 -0.55 8.24 7.96 1taqA1 VAL 586 HA -0.13 0.06 0.41 -0.75 4.13 3.72 1taqA1 VAL 586 HB -0.12 -0.02 -0.02 -0.04 2.12 1.91 1taqA1 VAL 586 HG13 -0.11 0.05 0.00 -0.04 0.97 0.87 1taqA1 VAL 586 HG23 -0.15 0.00 0.03 -0.04 0.95 0.80 1taqA1 ARG 587 H -0.12 0.13 0.08 -0.55 8.46 8.01 1taqA1 ARG 587 HA -0.08 0.02 0.30 -0.75 4.34 3.82 1taqA1 ARG 587 HB2 -0.08 0.15 -0.12 -0.04 1.90 1.80 1taqA1 ARG 587 HB3 -0.07 -0.01 0.12 -0.04 1.80 1.80 1taqA1 ARG 587 HG2 -0.07 0.03 -0.03 -0.04 1.67 1.55 1taqA1 ARG 587 HG3 -0.09 -0.08 -0.22 -0.04 1.67 1.24 1taqA1 ARG 587 HD2 -0.07 0.00 -0.04 -0.04 3.22 3.07 1taqA1 ARG 587 HD3 -0.07 -0.01 -0.07 -0.04 3.22 3.03 1taqA1 THR 588 H -0.08 0.13 -0.09 -0.55 8.28 7.70 1taqA1 THR 588 HA -0.04 0.29 0.81 -0.75 4.39 4.70 1taqA1 THR 588 HB -0.03 0.02 0.10 -0.04 4.32 4.37 1taqA1 THR 588 HG23 -0.05 0.10 -0.28 -0.04 1.22 0.95 1taqA1 PRO 589 HA -0.02 0.10 0.38 -0.51 4.44 4.39 1taqA1 PRO 589 HB2 -0.01 0.00 0.08 -0.04 2.28 2.31 1taqA1 PRO 589 HB3 -0.01 0.07 0.07 -0.04 2.02 2.11 1taqA1 PRO 589 HG2 -0.01 0.07 0.08 -0.04 2.03 2.12 1taqA1 PRO 589 HG3 -0.02 0.07 0.06 -0.04 2.03 2.10 1taqA1 PRO 589 HD2 -0.02 0.09 0.19 -0.04 3.68 3.89 1taqA1 PRO 589 HD3 -0.03 0.20 0.19 -0.04 3.65 3.97 1taqA1 LEU 590 H -0.02 0.11 -0.20 -0.55 8.37 7.71 1taqA1 LEU 590 HA -0.00 0.14 0.53 -0.75 4.35 4.26 1taqA1 LEU 590 HB2 -0.01 -0.01 0.07 -0.04 1.64 1.64 1taqA1 LEU 590 HB3 -0.01 0.07 -0.10 -0.04 1.64 1.56 1taqA1 LEU 590 HG -0.00 -0.01 -0.05 -0.04 1.64 1.54 1taqA1 LEU 590 HD13 0.00 0.01 -0.02 -0.04 0.93 0.88 1taqA1 LEU 590 HD23 0.02 0.01 -0.05 -0.04 0.89 0.82 1taqA1 GLY 591 H -0.06 0.08 -0.10 -0.55 8.43 7.80 1taqA1 GLY 591 HA2 -0.13 0.02 0.37 -0.51 4.01 3.76 1taqA1 GLY 591 HA3 -0.13 0.73 0.36 -0.51 4.01 4.46 1taqA1 GLN 592 H -0.08 0.41 -0.24 -0.55 8.47 8.02 1taqA1 GLN 592 HA -0.17 0.03 0.31 -0.75 4.36 3.78 1taqA1 GLN 592 HB2 -0.07 0.27 0.08 -0.04 2.15 2.39 1taqA1 GLN 592 HB3 -0.05 0.05 -0.08 -0.04 2.02 1.90 1taqA1 GLN 592 HG2 -0.06 0.01 -0.05 -0.04 2.40 2.26 1taqA1 GLN 592 HG3 -0.10 0.02 0.01 -0.04 2.39 2.28 1taqA1 GLN 592 HE21 -0.08 -0.05 -0.03 -0.04 6.97 6.77 1taqA1 GLN 592 HE22 -0.07 0.06 -0.04 -0.04 7.69 7.59 1taqA1 ARG 593 H -0.02 0.29 -0.32 -0.55 8.46 7.86 1taqA1 ARG 593 HA 0.09 -0.00 0.40 -0.75 4.34 4.07 1taqA1 ARG 593 HB2 0.04 0.10 0.23 -0.04 1.90 2.23 1taqA1 ARG 593 HB3 0.13 -0.06 -0.01 -0.04 1.80 1.82 1taqA1 ARG 593 HG2 0.09 -0.07 0.03 -0.04 1.67 1.68 1taqA1 ARG 593 HG3 0.03 0.26 0.14 -0.04 1.67 2.05 1taqA1 ARG 593 HD2 0.03 -0.02 -0.04 -0.04 3.22 3.14 1taqA1 ARG 593 HD3 0.02 -0.05 -0.04 -0.04 3.22 3.11 1taqA1 ILE 594 H 0.01 0.61 -0.15 -0.55 8.25 8.17 1taqA1 ILE 594 HA 0.19 0.03 0.43 -0.75 4.18 4.08 1taqA1 ILE 594 HB -0.03 0.11 0.11 -0.04 1.89 2.04 1taqA1 ILE 594 HG12 0.11 -0.02 -0.08 -0.04 1.49 1.46 1taqA1 ILE 594 HG13 0.04 0.18 0.01 -0.04 1.21 1.40 1taqA1 ILE 594 HG23 0.20 -0.01 -0.08 -0.04 0.93 1.00 1taqA1 ILE 594 HD13 0.03 -0.03 -0.14 -0.04 0.88 0.69 1taqA1 ARG 595 H -0.12 0.50 -0.18 -0.55 8.46 8.11 1taqA1 ARG 595 HA 0.01 0.05 0.41 -0.75 4.34 4.06 1taqA1 ARG 595 HB2 -0.43 0.10 -0.01 -0.04 1.90 1.52 1taqA1 ARG 595 HB3 -0.88 -0.08 -0.09 -0.04 1.80 0.70 1taqA1 ARG 595 HG2 -1.12 -0.03 -0.07 -0.04 1.67 0.41 1taqA1 ARG 595 HG3 -0.54 0.21 -0.06 -0.04 1.67 1.23 1taqA1 ARG 595 HD2 -2.73 -0.01 -0.12 -0.04 3.22 0.31 1taqA1 ARG 595 HD3 -0.96 -0.02 -0.14 -0.04 3.22 2.06 1taqA1 ARG 596 H -0.03 0.39 -0.46 -0.55 8.46 7.81 1taqA1 ARG 596 HA -0.05 -0.18 0.43 -0.75 4.34 3.78 1taqA1 ARG 596 HB2 -0.13 -0.04 0.08 -0.04 1.90 1.77 1taqA1 ARG 596 HB3 -0.20 0.38 0.13 -0.04 1.80 2.07 1taqA1 ARG 596 HG2 -0.49 -0.02 -0.02 -0.04 1.67 1.09 1taqA1 ARG 596 HG3 -1.32 0.01 -0.25 -0.04 1.67 0.06 1taqA1 ARG 596 HD2 -0.20 -0.00 0.11 -0.04 3.22 3.08 1taqA1 ARG 596 HD3 -0.14 -0.04 0.01 -0.04 3.22 3.01 1taqA1 GLY 597 H 0.11 0.40 -0.54 -0.55 8.43 7.86 1taqA1 GLY 597 HA2 -0.06 -0.07 0.35 -0.51 4.01 3.72 1taqA1 GLY 597 HA3 0.08 0.10 0.28 -0.51 4.01 3.96 1taqA1 PHE 598 H 0.61 0.25 -0.28 -0.55 8.34 8.37 1taqA1 PHE 598 HA 0.09 0.12 0.57 -0.75 4.62 4.64 1taqA1 PHE 598 HB2 0.44 0.00 0.20 -0.04 3.15 3.75 1taqA1 PHE 598 HB3 0.15 0.03 0.02 -0.04 3.06 3.22 1taqA1 PHE 598 HD2 0.15 0.03 0.04 -0.04 7.28 7.45 1taqA1 PHE 598 HE2 0.14 0.04 -0.08 -0.04 7.38 7.44 1taqA1 PHE 598 HZ 0.20 -0.02 -0.08 -0.04 7.32 7.38 1taqA1 ILE 599 H 0.05 0.54 0.32 -0.55 8.25 8.61 1taqA1 ILE 599 HA 0.10 0.11 1.20 -0.75 4.18 4.83 1taqA1 ILE 599 HB 0.03 0.04 0.12 -0.04 1.89 2.04 1taqA1 ILE 599 HG12 -0.00 -0.04 -0.34 -0.04 1.49 1.07 1taqA1 ILE 599 HG13 0.00 0.04 -0.38 -0.04 1.21 0.83 1taqA1 ILE 599 HG23 0.00 -0.02 -0.17 -0.04 0.93 0.71 1taqA1 ILE 599 HD13 0.01 -0.01 -0.18 -0.04 0.88 0.66 1taqA1 ALA 600 H 0.06 0.57 0.33 -0.55 8.40 8.81 1taqA1 ALA 600 HA 0.02 0.08 0.67 -0.75 4.34 4.37 1taqA1 ALA 600 HB3 0.11 -0.03 -0.09 -0.04 1.41 1.35 1taqA1 GLU 601 H -0.08 0.09 0.07 -0.55 8.60 8.13 1taqA1 GLU 601 HA -0.10 0.10 0.36 -0.75 4.29 3.89 1taqA1 GLU 601 HB2 -0.54 0.12 0.10 -0.04 2.09 1.72 1taqA1 GLU 601 HB3 -0.71 -0.09 -0.01 -0.04 1.99 1.13 1taqA1 GLU 601 HG2 -0.40 -0.03 -0.03 -0.04 2.34 1.85 1taqA1 GLU 601 HG3 -0.13 -0.20 0.13 -0.04 2.34 2.09 1taqA1 GLU 602 H -0.00 0.15 0.16 -0.55 8.60 8.36 1taqA1 GLU 602 HA 0.06 0.09 0.33 -0.75 4.29 4.02 1taqA1 GLU 602 HB2 0.03 0.03 0.19 -0.04 2.09 2.30 1taqA1 GLU 602 HB3 0.08 -0.03 0.12 -0.04 1.99 2.12 1taqA1 GLU 602 HG2 0.04 -0.00 0.04 -0.04 2.34 2.37 1taqA1 GLU 602 HG3 0.06 0.00 -0.06 -0.04 2.34 2.30 1taqA1 GLY 603 H 0.36 0.06 -0.20 -0.55 8.43 8.10 1taqA1 GLY 603 HA2 0.11 0.24 0.98 -0.51 4.01 4.84 1taqA1 GLY 603 HA3 0.15 -0.05 0.35 -0.51 4.01 3.95 1taqA1 TRP 604 H 0.41 0.69 -0.16 -0.55 7.97 8.36 1taqA1 TRP 604 HA -0.00 -0.04 0.96 -0.75 4.62 4.78 1taqA1 TRP 604 HB2 0.00 -0.04 -0.03 -0.04 3.23 3.11 1taqA1 TRP 604 HB3 -0.00 0.05 -0.00 -0.04 3.23 3.23 1taqA1 TRP 604 HD1 -0.00 -0.35 -0.38 -0.04 7.22 6.46 1taqA1 TRP 604 HE1 -0.00 0.01 -0.09 -0.04 10.20 10.08 1taqA1 TRP 604 HE3 -0.01 -0.11 -0.51 -0.04 7.59 6.91 1taqA1 TRP 604 HZ2 -0.01 -0.01 -0.02 -0.04 7.44 7.36 1taqA1 TRP 604 HZ3 -0.02 0.08 -0.07 -0.04 7.13 7.09 1taqA1 TRP 604 HH2 -0.01 0.15 -0.01 -0.04 7.19 7.27 1taqA1 LEU 605 H 0.22 0.70 0.35 -0.55 8.37 9.10 1taqA1 LEU 605 HA 0.11 0.16 0.78 -0.75 4.35 4.65 1taqA1 LEU 605 HB2 0.04 -0.01 -0.01 -0.04 1.64 1.61 1taqA1 LEU 605 HB3 0.05 -0.02 0.00 -0.04 1.64 1.63 1taqA1 LEU 605 HG 0.05 0.13 -0.36 -0.04 1.64 1.42 1taqA1 LEU 605 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.84 1taqA1 LEU 605 HD23 0.05 -0.01 -0.16 -0.04 0.89 0.73 1taqA1 LEU 606 H 0.08 0.84 0.37 -0.55 8.37 9.11 1taqA1 LEU 606 HA 0.06 0.25 0.97 -0.75 4.35 4.87 1taqA1 LEU 606 HB2 0.08 0.03 -0.13 -0.04 1.64 1.57 1taqA1 LEU 606 HB3 0.02 -0.02 -0.23 -0.04 1.64 1.38 1taqA1 LEU 606 HG 0.07 -0.00 -0.26 -0.04 1.64 1.40 1taqA1 LEU 606 HD13 0.09 -0.04 -0.38 -0.04 0.93 0.55 1taqA1 LEU 606 HD23 -0.01 0.02 -0.12 -0.04 0.89 0.74 1taqA1 VAL 607 H 0.01 0.60 0.12 -0.55 8.24 8.43 1taqA1 VAL 607 HA 0.02 0.34 1.09 -0.75 4.13 4.83 1taqA1 VAL 607 HB 0.00 -0.08 0.08 -0.04 2.12 2.08 1taqA1 VAL 607 HG13 -0.00 0.01 -0.14 -0.04 0.97 0.80 1taqA1 VAL 607 HG23 0.02 -0.01 -0.19 -0.04 0.95 0.73 1taqA1 ALA 608 H 0.04 0.32 0.08 -0.55 8.40 8.30 1taqA1 ALA 608 HA -0.04 0.24 1.04 -0.75 4.34 4.83 1taqA1 ALA 608 HB3 0.13 -0.02 -0.13 -0.04 1.41 1.35 1taqA1 LEU 609 H -0.04 0.71 0.38 -0.55 8.37 8.88 1taqA1 LEU 609 HA -0.03 0.22 0.97 -0.75 4.35 4.76 1taqA1 LEU 609 HB2 -0.10 -0.02 0.06 -0.04 1.64 1.55 1taqA1 LEU 609 HB3 -0.10 0.00 -0.07 -0.04 1.64 1.43 1taqA1 LEU 609 HG -0.03 -0.05 -0.46 -0.04 1.64 1.06 1taqA1 LEU 609 HD13 -0.04 0.03 -0.10 -0.04 0.93 0.77 1taqA1 LEU 609 HD23 -0.04 0.01 -0.14 -0.04 0.89 0.68 1taqA1 ASP 610 H -0.05 0.74 0.31 -0.55 8.40 8.85 1taqA1 ASP 610 HA -0.03 0.25 1.08 -0.75 4.63 5.18 1taqA1 ASP 610 HB2 0.05 -0.11 -0.28 -0.04 2.71 2.33 1taqA1 ASP 610 HB3 0.03 0.04 0.08 -0.04 2.70 2.81 1taqA1 TYR 611 H 0.08 0.65 0.33 -0.55 8.29 8.80 1taqA1 TYR 611 HA 0.01 0.24 0.83 -0.75 4.56 4.89 1taqA1 TYR 611 HB2 0.03 -0.02 0.29 -0.04 3.06 3.31 1taqA1 TYR 611 HB3 -0.00 -0.09 -0.00 -0.04 2.98 2.85 1taqA1 TYR 611 HD2 0.02 0.02 -0.05 -0.04 7.15 7.10 1taqA1 TYR 611 HE2 0.03 0.05 -0.23 -0.04 6.85 6.65 1taqA1 SER 612 H 0.11 0.57 0.32 -0.55 8.46 8.92 1taqA1 SER 612 HA 0.07 -0.03 0.41 -0.75 4.49 4.19 1taqA1 SER 612 HB2 0.05 0.03 0.13 -0.04 3.95 4.12 1taqA1 SER 612 HB3 0.06 -0.03 0.05 -0.04 3.93 3.96 1taqA1 GLN 613 H 0.06 0.15 0.24 -0.55 8.47 8.38 1taqA1 GLN 613 HA 0.05 0.00 0.37 -0.75 4.36 4.03 1taqA1 GLN 613 HB2 0.02 0.16 -0.12 -0.04 2.15 2.17 1taqA1 GLN 613 HB3 0.09 -0.08 0.18 -0.04 2.02 2.17 1taqA1 GLN 613 HG2 0.16 0.02 0.03 -0.04 2.40 2.57 1taqA1 GLN 613 HG3 0.10 -0.01 0.06 -0.04 2.39 2.50 1taqA1 GLN 613 HE21 0.11 -0.03 -0.02 -0.04 6.97 6.99 1taqA1 GLN 613 HE22 0.20 -0.01 -0.01 -0.04 7.69 7.82 1taqA1 ILE 614 H 0.02 0.31 -0.24 -0.55 8.25 7.79 1taqA1 ILE 614 HA -0.17 0.12 0.27 -0.75 4.18 3.65 1taqA1 ILE 614 HB -0.10 0.08 0.01 -0.04 1.89 1.84 1taqA1 ILE 614 HG12 -0.18 -0.06 -0.09 -0.04 1.49 1.11 1taqA1 ILE 614 HG13 -0.30 0.04 0.04 -0.04 1.21 0.94 1taqA1 ILE 614 HG23 0.00 0.01 0.01 -0.04 0.93 0.91 1taqA1 ILE 614 HD13 -0.62 0.03 0.02 -0.04 0.88 0.27 1taqA1 GLU 615 H 0.00 0.08 -0.20 -0.55 8.60 7.94 1taqA1 GLU 615 HA -0.03 0.16 0.37 -0.75 4.29 4.04 1taqA1 GLU 615 HB2 0.06 -0.04 0.04 -0.04 2.09 2.11 1taqA1 GLU 615 HB3 0.04 0.05 -0.03 -0.04 1.99 2.01 1taqA1 GLU 615 HG2 0.05 0.06 -0.08 -0.04 2.34 2.34 1taqA1 GLU 615 HG3 0.06 -0.04 0.01 -0.04 2.34 2.33 1taqA1 LEU 616 H -0.02 0.27 -0.19 -0.55 8.37 7.88 1taqA1 LEU 616 HA 0.00 0.09 0.64 -0.75 4.35 4.32 1taqA1 LEU 616 HB2 0.12 0.15 0.16 -0.04 1.64 2.03 1taqA1 LEU 616 HB3 0.34 -0.02 -0.00 -0.04 1.64 1.91 1taqA1 LEU 616 HG 0.10 -0.04 0.01 -0.04 1.64 1.66 1taqA1 LEU 616 HD13 0.14 -0.01 -0.02 -0.04 0.93 1.00 1taqA1 LEU 616 HD23 0.03 0.07 0.04 -0.04 0.89 0.99 1taqA1 ARG 617 H -0.29 0.51 0.03 -0.55 8.46 8.15 1taqA1 ARG 617 HA -0.55 0.02 0.46 -0.75 4.34 3.51 1taqA1 ARG 617 HB2 -0.31 0.05 0.07 -0.04 1.90 1.66 1taqA1 ARG 617 HB3 -0.39 0.15 0.07 -0.04 1.80 1.58 1taqA1 ARG 617 HG2 -1.75 -0.06 0.01 -0.04 1.67 -0.17 1taqA1 ARG 617 HG3 -0.70 0.10 0.03 -0.04 1.67 1.06 1taqA1 ARG 617 HD2 -0.25 0.28 -0.03 -0.04 3.22 3.17 1taqA1 ARG 617 HD3 -0.26 -0.02 0.05 -0.04 3.22 2.95 1taqA1 VAL 618 H -0.15 0.26 -0.54 -0.55 8.24 7.27 1taqA1 VAL 618 HA -0.12 0.08 0.56 -0.75 4.13 3.90 1taqA1 VAL 618 HB -0.11 0.09 0.21 -0.04 2.12 2.27 1taqA1 VAL 618 HG13 -0.10 0.01 -0.05 -0.04 0.97 0.79 1taqA1 VAL 618 HG23 -0.16 -0.01 -0.07 -0.04 0.95 0.68 1taqA1 LEU 619 H -0.13 0.38 -0.06 -0.55 8.37 8.01 1taqA1 LEU 619 HA -0.48 0.05 0.48 -0.75 4.35 3.64 1taqA1 LEU 619 HB2 -0.21 0.09 0.18 -0.04 1.64 1.66 1taqA1 LEU 619 HB3 -0.12 0.05 0.28 -0.04 1.64 1.81 1taqA1 LEU 619 HG -0.23 -0.08 -0.22 -0.04 1.64 1.07 1taqA1 LEU 619 HD13 -0.61 0.00 0.03 -0.04 0.93 0.31 1taqA1 LEU 619 HD23 -0.07 -0.01 -0.03 -0.04 0.89 0.74 1taqA1 ALA 620 H -0.04 0.65 -0.17 -0.55 8.40 8.29 1taqA1 ALA 620 HA -0.04 -0.10 0.36 -0.75 4.34 3.80 1taqA1 ALA 620 HB3 0.15 0.04 -0.06 -0.04 1.41 1.50 1taqA1 HIS 621 H 0.02 0.31 -0.43 -0.55 8.41 7.76 1taqA1 HIS 621 HA -0.04 0.01 0.38 -0.75 4.63 4.22 1taqA1 HIS 621 HB2 -0.06 0.01 0.16 -0.04 3.26 3.33 1taqA1 HIS 621 HB3 -0.11 0.12 0.18 -0.04 3.20 3.36 1taqA1 HIS 621 HD2 -0.07 0.01 -0.23 -0.04 6.97 6.64 1taqA1 HIS 621 HE1 0.02 0.09 0.04 -0.04 7.75 7.86 1taqA1 LEU 622 H -0.08 0.58 -0.06 -0.55 8.37 8.26 1taqA1 LEU 622 HA -0.02 0.06 0.44 -0.75 4.35 4.09 1taqA1 LEU 622 HB2 -0.53 0.02 0.09 -0.04 1.64 1.18 1taqA1 LEU 622 HB3 -0.02 -0.03 -0.00 -0.04 1.64 1.55 1taqA1 LEU 622 HG -0.07 0.19 0.06 -0.04 1.64 1.78 1taqA1 LEU 622 HD13 0.10 -0.01 -0.09 -0.04 0.93 0.89 1taqA1 LEU 622 HD23 0.12 -0.03 -0.00 -0.04 0.89 0.93 1taqA1 SER 623 H -0.37 0.58 -0.18 -0.55 8.46 7.96 1taqA1 SER 623 HA -0.09 0.11 0.67 -0.75 4.49 4.43 1taqA1 SER 623 HB2 -0.01 -0.08 -0.20 -0.04 3.95 3.62 1taqA1 SER 623 HB3 -0.46 0.04 0.09 -0.04 3.93 3.56 1taqA1 GLY 624 H -0.11 0.54 -0.15 -0.55 8.43 8.17 1taqA1 GLY 624 HA2 -0.08 0.11 0.29 -0.51 4.01 3.82 1taqA1 GLY 624 HA3 -0.04 0.12 0.64 -0.51 4.01 4.23 1taqA1 ASP 625 H -0.01 0.09 -0.19 -0.55 8.40 7.73 1taqA1 ASP 625 HA 0.05 0.03 0.33 -0.75 4.63 4.29 1taqA1 ASP 625 HB2 0.08 0.02 -0.01 -0.04 2.71 2.76 1taqA1 ASP 625 HB3 0.08 0.01 0.17 -0.04 2.70 2.92 1taqA1 GLU 626 H 0.02 0.21 0.29 -0.55 8.60 8.58 1taqA1 GLU 626 HA 0.03 0.14 0.36 -0.75 4.29 4.06 1taqA1 GLU 626 HB2 -0.01 0.01 0.06 -0.04 2.09 2.10 1taqA1 GLU 626 HB3 -0.00 0.11 0.16 -0.04 1.99 2.22 1taqA1 GLU 626 HG2 -0.03 -0.10 0.13 -0.04 2.34 2.29 1taqA1 GLU 626 HG3 -0.04 0.05 0.06 -0.04 2.34 2.37 1taqA1 ASN 627 H 0.06 0.10 -0.13 -0.55 8.53 8.02 1taqA1 ASN 627 HA 0.05 0.12 0.56 -0.75 4.76 4.73 1taqA1 ASN 627 HB2 -0.01 0.09 0.13 -0.04 2.88 3.04 1taqA1 ASN 627 HB3 -0.05 0.01 0.06 -0.04 2.79 2.77 1taqA1 ASN 627 HD21 -0.38 0.02 0.01 -0.04 7.03 6.64 1taqA1 ASN 627 HD22 -0.39 -0.03 0.04 -0.04 7.74 7.32 1taqA1 LEU 628 H 0.27 0.13 -0.20 -0.55 8.37 8.03 1taqA1 LEU 628 HA 0.10 0.06 0.49 -0.75 4.35 4.25 1taqA1 LEU 628 HB2 0.08 -0.09 0.12 -0.04 1.64 1.71 1taqA1 LEU 628 HB3 0.06 0.13 0.11 -0.04 1.64 1.89 1taqA1 LEU 628 HG 0.00 0.04 -0.02 -0.04 1.64 1.63 1taqA1 LEU 628 HD13 -0.66 -0.00 0.01 -0.04 0.93 0.24 1taqA1 LEU 628 HD23 -0.20 -0.00 -0.04 -0.04 0.89 0.60 1taqA1 ILE 629 H 0.10 0.71 0.01 -0.55 8.25 8.52 1taqA1 ILE 629 HA 0.17 0.03 0.22 -0.75 4.18 3.85 1taqA1 ILE 629 HB 0.06 -0.02 0.05 -0.04 1.89 1.94 1taqA1 ILE 629 HG12 0.08 -0.09 -0.24 -0.04 1.49 1.20 1taqA1 ILE 629 HG13 0.05 0.12 -0.28 -0.04 1.21 1.06 1taqA1 ILE 629 HG23 0.06 0.02 -0.15 -0.04 0.93 0.83 1taqA1 ILE 629 HD13 0.00 0.04 -0.16 -0.04 0.88 0.72 1taqA1 ARG 630 H 0.09 0.46 -0.32 -0.55 8.46 8.14 1taqA1 ARG 630 HA 0.07 0.04 0.42 -0.75 4.34 4.12 1taqA1 ARG 630 HB2 0.05 0.03 0.14 -0.04 1.90 2.08 1taqA1 ARG 630 HB3 0.12 0.02 0.25 -0.04 1.80 2.14 1taqA1 ARG 630 HG2 0.16 -0.03 -0.24 -0.04 1.67 1.52 1taqA1 ARG 630 HG3 0.07 -0.02 -0.00 -0.04 1.67 1.67 1taqA1 ARG 630 HD2 -0.01 0.00 -0.00 -0.04 3.22 3.17 1taqA1 ARG 630 HD3 0.05 -0.00 0.04 -0.04 3.22 3.26 1taqA1 VAL 631 H 0.07 0.43 -0.19 -0.55 8.24 8.01 1taqA1 VAL 631 HA -0.01 -0.03 0.37 -0.75 4.13 3.70 1taqA1 VAL 631 HB -0.45 0.12 0.12 -0.04 2.12 1.87 1taqA1 VAL 631 HG13 -0.30 -0.03 -0.21 -0.04 0.97 0.39 1taqA1 VAL 631 HG23 -0.03 0.11 0.09 -0.04 0.95 1.08 1taqA1 PHE 632 H -0.14 0.45 -0.16 -0.55 8.34 7.94 1taqA1 PHE 632 HA 0.00 0.00 0.47 -0.75 4.62 4.34 1taqA1 PHE 632 HB2 0.01 0.12 0.09 -0.04 3.15 3.33 1taqA1 PHE 632 HB3 0.01 0.06 0.02 -0.04 3.06 3.11 1taqA1 PHE 632 HD2 -0.02 0.03 -0.05 -0.04 7.28 7.20 1taqA1 PHE 632 HE2 -0.06 -0.02 -0.16 -0.04 7.38 7.11 1taqA1 PHE 632 HZ -0.07 -0.08 -0.07 -0.04 7.32 7.06 1taqA1 GLN 633 H 0.12 0.38 -0.21 -0.55 8.47 8.22 1taqA1 GLN 633 HA 0.09 0.07 0.58 -0.75 4.36 4.35 1taqA1 GLN 633 HB2 0.07 0.01 0.23 -0.04 2.15 2.42 1taqA1 GLN 633 HB3 0.05 -0.07 0.05 -0.04 2.02 2.01 1taqA1 GLN 633 HG2 0.10 0.23 0.13 -0.04 2.40 2.82 1taqA1 GLN 633 HG3 0.06 -0.12 -0.03 -0.04 2.39 2.27 1taqA1 GLN 633 HE21 0.04 -0.08 -0.02 -0.04 6.97 6.87 1taqA1 GLN 633 HE22 0.05 0.03 0.14 -0.04 7.69 7.88 1taqA1 GLU 634 H 0.06 0.69 0.03 -0.55 8.60 8.83 1taqA1 GLU 634 HA 0.04 0.02 0.34 -0.75 4.29 3.94 1taqA1 GLU 634 HB2 0.03 0.01 0.14 -0.04 2.09 2.23 1taqA1 GLU 634 HB3 0.03 -0.09 -0.01 -0.04 1.99 1.89 1taqA1 GLU 634 HG2 0.04 -0.03 0.03 -0.04 2.34 2.34 1taqA1 GLU 634 HG3 0.05 0.13 0.07 -0.04 2.34 2.55 1taqA1 GLY 635 H 0.06 0.28 -0.40 -0.55 8.43 7.82 1taqA1 GLY 635 HA2 0.07 0.06 0.22 -0.51 4.01 3.85 1taqA1 GLY 635 HA3 0.04 0.10 0.62 -0.51 4.01 4.26 1taqA1 ARG 636 H -0.00 0.53 0.13 -0.55 8.46 8.56 1taqA1 ARG 636 HA -0.02 0.19 0.79 -0.75 4.34 4.55 1taqA1 ARG 636 HB2 -0.09 0.01 0.00 -0.04 1.90 1.79 1taqA1 ARG 636 HB3 -0.09 -0.12 -0.04 -0.04 1.80 1.50 1taqA1 ARG 636 HG2 -0.01 0.06 -0.19 -0.04 1.67 1.49 1taqA1 ARG 636 HG3 -0.00 0.05 -0.23 -0.04 1.67 1.45 1taqA1 ARG 636 HD2 -0.01 -0.01 -0.05 -0.04 3.22 3.12 1taqA1 ARG 636 HD3 -0.05 -0.08 -0.04 -0.04 3.22 3.01 1taqA1 ASP 637 H -0.06 0.17 0.12 -0.55 8.40 8.08 1taqA1 ASP 637 HA -0.04 0.13 0.39 -0.75 4.63 4.36 1taqA1 ASP 637 HB2 -0.02 0.15 0.15 -0.04 2.71 2.95 1taqA1 ASP 637 HB3 -0.06 -0.07 0.24 -0.04 2.70 2.77 1taqA1 ILE 638 H -0.19 0.33 0.25 -0.55 8.25 8.09 1taqA1 ILE 638 HA -0.34 0.03 0.18 -0.75 4.18 3.30 1taqA1 ILE 638 HB -0.55 0.12 0.11 -0.04 1.89 1.52 1taqA1 ILE 638 HG12 -0.27 0.05 -0.01 -0.04 1.49 1.21 1taqA1 ILE 638 HG13 -0.29 -0.03 -0.08 -0.04 1.21 0.77 1taqA1 ILE 638 HG23 -0.46 0.01 -0.00 -0.04 0.93 0.44 1taqA1 ILE 638 HD13 -0.39 -0.00 0.05 -0.04 0.88 0.50 1taqA1 HIS 639 H -0.29 0.07 -0.42 -0.55 8.41 7.23 1taqA1 HIS 639 HA -0.03 0.15 0.39 -0.75 4.63 4.39 1taqA1 HIS 639 HB2 -0.03 -0.00 -0.04 -0.04 3.26 3.15 1taqA1 HIS 639 HB3 -0.02 0.11 0.00 -0.04 3.20 3.24 1taqA1 HIS 639 HD2 -0.01 -0.00 -0.03 -0.04 6.97 6.89 1taqA1 HIS 639 HE1 0.05 0.07 -0.06 -0.04 7.75 7.76 1taqA1 THR 640 H -0.07 0.27 -0.08 -0.55 8.28 7.85 1taqA1 THR 640 HA -0.05 0.11 0.56 -0.75 4.39 4.25 1taqA1 THR 640 HB -0.11 0.02 0.16 -0.04 4.32 4.35 1taqA1 THR 640 HG23 -0.07 -0.01 0.01 -0.04 1.22 1.11 1taqA1 GLU 641 H -0.26 0.51 -0.05 -0.55 8.60 8.26 1taqA1 GLU 641 HA -0.62 0.00 0.24 -0.75 4.29 3.16 1taqA1 GLU 641 HB2 -0.52 0.05 -0.00 -0.04 2.09 1.58 1taqA1 GLU 641 HB3 -1.28 0.04 -0.05 -0.04 1.99 0.66 1taqA1 GLU 641 HG2 -0.27 0.02 -0.12 -0.04 2.34 1.93 1taqA1 GLU 641 HG3 -0.31 0.04 -0.12 -0.04 2.34 1.92 1taqA1 THR 642 H -0.28 0.51 -0.20 -0.55 8.28 7.77 1taqA1 THR 642 HA -0.10 0.03 0.31 -0.75 4.39 3.88 1taqA1 THR 642 HB 0.04 0.00 0.03 -0.04 4.32 4.35 1taqA1 THR 642 HG23 0.30 -0.00 -0.07 -0.04 1.22 1.41 1taqA1 ALA 643 H -0.09 0.26 -0.69 -0.55 8.40 7.34 1taqA1 ALA 643 HA 0.19 0.01 0.38 -0.75 4.34 4.16 1taqA1 ALA 643 HB3 0.02 0.04 -0.01 -0.04 1.41 1.42 1taqA1 SER 644 H -0.22 0.53 -0.11 -0.55 8.46 8.11 1taqA1 SER 644 HA 0.00 0.09 0.38 -0.75 4.49 4.20 1taqA1 SER 644 HB2 -0.52 0.14 0.24 -0.04 3.95 3.77 1taqA1 SER 644 HB3 -0.12 -0.04 0.02 -0.04 3.93 3.75 1taqA1 TRP 645 H -0.35 0.51 -0.04 -0.55 7.97 7.55 1taqA1 TRP 645 HA -0.10 0.03 0.33 -0.75 4.62 4.12 1taqA1 TRP 645 HB2 -0.23 0.07 0.04 -0.04 3.23 3.06 1taqA1 TRP 645 HB3 -0.23 0.00 0.10 -0.04 3.23 3.07 1taqA1 TRP 645 HD1 -0.08 -0.02 -0.21 -0.04 7.22 6.87 1taqA1 TRP 645 HE1 -0.06 -0.05 -0.03 -0.04 10.20 10.02 1taqA1 TRP 645 HE3 -0.54 0.03 -0.06 -0.04 7.59 6.97 1taqA1 TRP 645 HZ2 -0.07 -0.02 -0.02 -0.04 7.44 7.29 1taqA1 TRP 645 HZ3 -0.11 0.02 -0.09 -0.04 7.13 6.91 1taqA1 TRP 645 HH2 -0.06 0.02 0.02 -0.04 7.19 7.13 1taqA1 MET 646 H -0.02 0.20 -0.69 -0.55 8.47 7.42 1taqA1 MET 646 HA -0.20 0.12 0.71 -0.75 4.52 4.40 1taqA1 MET 646 HB2 -0.22 0.09 0.13 -0.04 2.15 2.11 1taqA1 MET 646 HB3 -1.06 -0.08 -0.10 -0.04 2.03 0.75 1taqA1 MET 646 HG2 -0.18 -0.09 -0.18 -0.04 2.63 2.14 1taqA1 MET 646 HG3 -0.05 0.07 -0.13 -0.04 2.56 2.40 1taqA1 MET 646 HE3 -0.44 -0.01 -0.04 -0.04 2.10 1.56 1taqA1 PHE 647 H 0.04 0.62 0.06 -0.55 8.34 8.51 1taqA1 PHE 647 HA -0.02 0.17 0.89 -0.75 4.62 4.90 1taqA1 PHE 647 HB2 -0.05 0.07 0.08 -0.04 3.15 3.21 1taqA1 PHE 647 HB3 -0.03 -0.05 0.15 -0.04 3.06 3.08 1taqA1 PHE 647 HD2 -0.08 0.09 0.05 -0.04 7.28 7.30 1taqA1 PHE 647 HE2 -0.31 -0.01 -0.04 -0.04 7.38 6.99 1taqA1 PHE 647 HZ -1.24 -0.03 -0.06 -0.04 7.32 5.95 1taqA1 GLY 648 H 0.05 0.20 -0.23 -0.55 8.43 7.90 1taqA1 GLY 648 HA2 0.08 0.03 0.27 -0.51 4.01 3.88 1taqA1 GLY 648 HA3 0.05 -0.04 0.28 -0.51 4.01 3.78 1taqA1 VAL 649 H 0.08 0.38 0.06 -0.55 8.24 8.21 1taqA1 VAL 649 HA 0.04 0.13 0.68 -0.75 4.13 4.22 1taqA1 VAL 649 HB 0.02 -0.02 -0.01 -0.04 2.12 2.07 1taqA1 VAL 649 HG13 0.06 0.09 -0.24 -0.04 0.97 0.83 1taqA1 VAL 649 HG23 0.04 -0.01 -0.32 -0.04 0.95 0.62 1taqA1 PRO 650 HA 0.04 0.08 0.50 -0.51 4.44 4.55 1taqA1 PRO 650 HB2 0.01 -0.07 -0.00 -0.04 2.28 2.18 1taqA1 PRO 650 HB3 0.03 0.09 0.09 -0.04 2.02 2.19 1taqA1 PRO 650 HG2 0.01 -0.08 0.04 -0.04 2.03 1.96 1taqA1 PRO 650 HG3 0.01 0.10 0.05 -0.04 2.03 2.14 1taqA1 PRO 650 HD2 0.02 0.16 0.20 -0.04 3.68 4.03 1taqA1 PRO 650 HD3 0.03 0.17 0.10 -0.04 3.65 3.91 1taqA1 ARG 651 H -0.00 0.16 0.13 -0.55 8.46 8.19 1taqA1 ARG 651 HA -0.06 0.10 0.25 -0.75 4.34 3.87 1taqA1 ARG 651 HB2 -0.07 -0.00 -0.01 -0.04 1.90 1.78 1taqA1 ARG 651 HB3 -0.08 0.03 0.09 -0.04 1.80 1.80 1taqA1 ARG 651 HG2 -0.01 -0.06 0.08 -0.04 1.67 1.64 1taqA1 ARG 651 HG3 -0.02 0.07 -0.07 -0.04 1.67 1.60 1taqA1 ARG 651 HD2 -0.01 0.04 -0.01 -0.04 3.22 3.21 1taqA1 ARG 651 HD3 -0.03 0.01 -0.03 -0.04 3.22 3.13 1taqA1 GLU 652 H -0.01 0.04 -0.27 -0.55 8.60 7.82 1taqA1 GLU 652 HA -0.02 0.07 0.32 -0.75 4.29 3.91 1taqA1 GLU 652 HB2 -0.01 0.06 -0.04 -0.04 2.09 2.06 1taqA1 GLU 652 HB3 -0.01 0.01 0.07 -0.04 1.99 2.02 1taqA1 GLU 652 HG2 0.00 -0.09 -0.10 -0.04 2.34 2.11 1taqA1 GLU 652 HG3 0.00 0.05 -0.04 -0.04 2.34 2.32 1taqA1 ALA 653 H -0.01 0.53 -0.50 -0.55 8.40 7.88 1taqA1 ALA 653 HA -0.01 0.16 0.70 -0.75 4.34 4.43 1taqA1 ALA 653 HB3 -0.00 -0.01 0.04 -0.04 1.41 1.39 1taqA1 VAL 654 H -0.03 0.54 -0.28 -0.55 8.24 7.92 1taqA1 VAL 654 HA -0.04 0.02 0.53 -0.75 4.13 3.89 1taqA1 VAL 654 HB -0.04 0.02 0.10 -0.04 2.12 2.16 1taqA1 VAL 654 HG13 -0.05 -0.02 -0.11 -0.04 0.97 0.75 1taqA1 VAL 654 HG23 -0.04 0.04 -0.08 -0.04 0.95 0.83 1taqA1 ASP 655 H -0.09 0.09 0.19 -0.55 8.40 8.04 1taqA1 ASP 655 HA -0.05 0.32 0.87 -0.75 4.63 5.01 1taqA1 ASP 655 HB2 -0.06 0.03 0.13 -0.04 2.71 2.77 1taqA1 ASP 655 HB3 -0.05 0.15 0.05 -0.04 2.70 2.80 1taqA1 PRO 656 HA -0.05 0.07 0.32 -0.51 4.44 4.27 1taqA1 PRO 656 HB2 -0.04 -0.01 0.08 -0.04 2.28 2.26 1taqA1 PRO 656 HB3 -0.04 0.07 0.06 -0.04 2.02 2.07 1taqA1 PRO 656 HG2 -0.03 0.07 0.09 -0.04 2.03 2.12 1taqA1 PRO 656 HG3 -0.03 0.08 0.10 -0.04 2.03 2.13 1taqA1 PRO 656 HD2 -0.04 0.09 0.19 -0.04 3.68 3.88 1taqA1 PRO 656 HD3 -0.04 0.24 0.24 -0.04 3.65 4.05 1taqA1 LEU 657 H -0.08 0.11 -0.25 -0.55 8.37 7.60 1taqA1 LEU 657 HA -0.06 0.12 0.46 -0.75 4.35 4.11 1taqA1 LEU 657 HB2 -0.07 -0.00 0.09 -0.04 1.64 1.62 1taqA1 LEU 657 HB3 -0.14 0.02 0.00 -0.04 1.64 1.48 1taqA1 LEU 657 HG -0.03 0.04 -0.01 -0.04 1.64 1.59 1taqA1 LEU 657 HD13 -0.02 -0.00 -0.04 -0.04 0.93 0.82 1taqA1 LEU 657 HD23 -0.02 0.01 0.01 -0.04 0.89 0.85 1taqA1 MET 658 H -0.21 0.17 -0.07 -0.55 8.47 7.82 1taqA1 MET 658 HA -0.65 0.06 0.42 -0.75 4.52 3.59 1taqA1 MET 658 HB2 -0.21 0.07 0.22 -0.04 2.15 2.19 1taqA1 MET 658 HB3 -0.21 0.03 -0.03 -0.04 2.03 1.77 1taqA1 MET 658 HG2 -1.55 0.05 0.05 -0.04 2.63 1.15 1taqA1 MET 658 HG3 -0.63 -0.05 0.07 -0.04 2.56 1.91 1taqA1 MET 658 HE3 -0.11 0.01 0.04 -0.04 2.10 1.99 1taqA1 ARG 659 H -0.09 0.47 -0.18 -0.55 8.46 8.10 1taqA1 ARG 659 HA 0.00 0.14 0.36 -0.75 4.34 4.08 1taqA1 ARG 659 HB2 -0.03 0.02 -0.10 -0.04 1.90 1.74 1taqA1 ARG 659 HB3 -0.04 0.09 -0.11 -0.04 1.80 1.69 1taqA1 ARG 659 HG2 0.01 -0.03 -0.07 -0.04 1.67 1.53 1taqA1 ARG 659 HG3 0.04 -0.03 -0.38 -0.04 1.67 1.27 1taqA1 ARG 659 HD2 -0.01 0.05 -0.12 -0.04 3.22 3.10 1taqA1 ARG 659 HD3 -0.02 0.06 -0.11 -0.04 3.22 3.10 1taqA1 ARG 660 H -0.07 0.29 -0.65 -0.55 8.46 7.47 1taqA1 ARG 660 HA -0.05 0.02 0.50 -0.75 4.34 4.06 1taqA1 ARG 660 HB2 -0.04 0.21 0.18 -0.04 1.90 2.20 1taqA1 ARG 660 HB3 -0.03 0.16 0.22 -0.04 1.80 2.11 1taqA1 ARG 660 HG2 -0.03 -0.05 0.05 -0.04 1.67 1.61 1taqA1 ARG 660 HG3 -0.03 -0.02 0.01 -0.04 1.67 1.60 1taqA1 ARG 660 HD2 0.01 0.03 -0.13 -0.04 3.22 3.09 1taqA1 ARG 660 HD3 0.01 -0.04 -0.17 -0.04 3.22 2.98 1taqA1 ALA 661 H -0.03 0.52 0.03 -0.55 8.40 8.38 1taqA1 ALA 661 HA 0.08 0.05 0.49 -0.75 4.34 4.21 1taqA1 ALA 661 HB3 0.07 0.02 0.06 -0.04 1.41 1.53 1taqA1 ALA 662 H 0.06 0.51 -0.16 -0.55 8.40 8.26 1taqA1 ALA 662 HA 0.11 0.04 0.39 -0.75 4.34 4.13 1taqA1 ALA 662 HB3 0.11 0.00 0.03 -0.04 1.41 1.51 1taqA1 LYS 663 H 0.03 0.48 -0.29 -0.55 8.42 8.09 1taqA1 LYS 663 HA 0.17 -0.03 0.39 -0.75 4.32 4.10 1taqA1 LYS 663 HB2 -0.25 0.13 0.16 -0.04 1.87 1.88 1taqA1 LYS 663 HB3 -0.12 0.10 0.14 -0.04 1.79 1.87 1taqA1 LYS 663 HG2 -0.25 0.01 -0.12 -0.04 1.46 1.05 1taqA1 LYS 663 HG3 -0.85 -0.08 0.02 -0.04 1.46 0.51 1taqA1 LYS 663 HD2 -0.42 -0.03 -0.02 -0.04 1.69 1.17 1taqA1 LYS 663 HD3 -0.22 0.04 -0.03 -0.04 1.68 1.42 1taqA1 LYS 663 HE2 -0.22 0.03 -0.04 -0.04 2.99 2.71 1taqA1 LYS 663 HE3 -0.39 -0.05 -0.03 -0.04 2.99 2.48 1taqA1 THR 664 H 0.04 0.48 -0.23 -0.55 8.28 8.02 1taqA1 THR 664 HA 0.21 0.08 0.44 -0.75 4.39 4.37 1taqA1 THR 664 HB 0.19 -0.02 0.05 -0.04 4.32 4.50 1taqA1 THR 664 HG23 0.04 0.11 0.08 -0.04 1.22 1.42 1taqA1 ILE 665 H 0.03 0.59 -0.16 -0.55 8.25 8.16 1taqA1 ILE 665 HA -0.16 0.00 0.40 -0.75 4.18 3.67 1taqA1 ILE 665 HB -0.09 0.08 0.10 -0.04 1.89 1.93 1taqA1 ILE 665 HG12 -0.03 -0.09 -0.02 -0.04 1.49 1.30 1taqA1 ILE 665 HG13 0.03 0.43 0.12 -0.04 1.21 1.76 1taqA1 ILE 665 HG23 -0.60 -0.01 -0.09 -0.04 0.93 0.19 1taqA1 ILE 665 HD13 0.04 -0.03 -0.15 -0.04 0.88 0.70 1taqA1 ASN 666 H 0.03 0.66 -0.21 -0.55 8.53 8.47 1taqA1 ASN 666 HA -0.11 -0.01 0.35 -0.75 4.76 4.23 1taqA1 ASN 666 HB2 0.25 0.17 0.12 -0.04 2.88 3.38 1taqA1 ASN 666 HB3 0.16 -0.08 -0.04 -0.04 2.79 2.78 1taqA1 ASN 666 HD21 -0.04 0.06 -0.14 -0.04 7.03 6.87 1taqA1 ASN 666 HD22 -0.03 -0.10 -0.25 -0.04 7.74 7.32 1taqA1 PHE 667 H 0.15 0.19 -0.81 -0.55 8.34 7.33 1taqA1 PHE 667 HA 0.03 0.02 0.58 -0.75 4.62 4.49 1taqA1 PHE 667 HB2 0.02 -0.04 0.06 -0.04 3.15 3.15 1taqA1 PHE 667 HB3 -0.00 0.10 0.25 -0.04 3.06 3.37 1taqA1 PHE 667 HD2 0.07 -0.01 0.02 -0.04 7.28 7.32 1taqA1 PHE 667 HE2 0.12 -0.01 -0.05 -0.04 7.38 7.39 1taqA1 PHE 667 HZ 0.10 -0.01 -0.05 -0.04 7.32 7.32 1taqA1 GLY 668 H -0.16 0.72 0.13 -0.55 8.43 8.58 1taqA1 GLY 668 HA2 -1.06 0.01 0.23 -0.51 4.01 2.68 1taqA1 GLY 668 HA3 -0.44 0.01 0.23 -0.51 4.01 3.31 1taqA1 VAL 669 H -0.33 0.77 -0.10 -0.55 8.24 8.03 1taqA1 VAL 669 HA -0.23 0.03 0.32 -0.75 4.13 3.50 1taqA1 VAL 669 HB -0.51 0.01 0.05 -0.04 2.12 1.63 1taqA1 VAL 669 HG13 -0.18 0.03 -0.08 -0.04 0.97 0.69 1taqA1 VAL 669 HG23 0.07 -0.02 -0.07 -0.04 0.95 0.90 1taqA1 LEU 670 H -0.19 0.26 -0.65 -0.55 8.37 7.25 1taqA1 LEU 670 HA 0.03 0.00 0.24 -0.75 4.35 3.86 1taqA1 LEU 670 HB2 -0.02 0.42 0.07 -0.04 1.64 2.07 1taqA1 LEU 670 HB3 0.16 -0.04 -0.07 -0.04 1.64 1.66 1taqA1 LEU 670 HG 0.10 -0.07 -0.01 -0.04 1.64 1.62 1taqA1 LEU 670 HD13 0.00 0.00 -0.06 -0.04 0.93 0.83 1taqA1 LEU 670 HD23 0.14 0.00 0.04 -0.04 0.89 1.04 1taqA1 TYR 671 H -0.41 0.38 -0.42 -0.55 8.29 7.29 1taqA1 TYR 671 HA 0.56 0.21 0.75 -0.75 4.56 5.33 1taqA1 TYR 671 HB2 0.09 -0.05 0.18 -0.04 3.06 3.24 1taqA1 TYR 671 HB3 0.09 0.02 -0.07 -0.04 2.98 2.98 1taqA1 TYR 671 HD2 -0.05 -0.03 0.01 -0.04 7.15 7.04 1taqA1 TYR 671 HE2 -0.52 0.00 -0.03 -0.04 6.85 6.26 1taqA1 GLY 672 H -0.07 0.64 -0.21 -0.55 8.43 8.24 1taqA1 GLY 672 HA2 -0.04 0.00 0.37 -0.51 4.01 3.84 1taqA1 GLY 672 HA3 0.26 0.05 0.40 -0.51 4.01 4.22 1taqA1 MET 673 H -0.07 0.57 -0.54 -0.55 8.47 7.89 1taqA1 MET 673 HA 0.10 0.02 0.32 -0.75 4.52 4.21 1taqA1 MET 673 HB2 -0.64 0.00 -0.13 -0.04 2.15 1.33 1taqA1 MET 673 HB3 -0.21 0.06 0.26 -0.04 2.03 2.09 1taqA1 MET 673 HG2 -0.02 -0.02 -0.14 -0.04 2.63 2.41 1taqA1 MET 673 HG3 0.03 0.00 -0.04 -0.04 2.56 2.51 1taqA1 MET 673 HE3 -0.03 0.01 -0.08 -0.04 2.10 1.95 1taqA1 SER 674 H -0.04 0.45 0.16 -0.55 8.46 8.48 1taqA1 SER 674 HA 0.06 0.07 0.27 -0.75 4.49 4.14 1taqA1 SER 674 HB2 0.11 -0.12 0.15 -0.04 3.95 4.05 1taqA1 SER 674 HB3 0.10 0.23 0.25 -0.04 3.93 4.47 1taqA1 ALA 675 H 0.05 0.19 0.12 -0.55 8.40 8.21 1taqA1 ALA 675 HA -0.09 0.15 0.36 -0.75 4.34 4.01 1taqA1 ALA 675 HB3 -0.19 0.03 0.07 -0.04 1.41 1.27 1taqA1 HIS 676 H 0.22 0.11 -0.07 -0.55 8.41 8.13 1taqA1 HIS 676 HA 0.13 0.08 0.40 -0.75 4.63 4.49 1taqA1 HIS 676 HB2 0.31 -0.00 0.08 -0.04 3.26 3.61 1taqA1 HIS 676 HB3 0.13 -0.00 0.04 -0.04 3.20 3.33 1taqA1 HIS 676 HD2 0.20 -0.04 0.02 -0.04 6.97 7.10 1taqA1 HIS 676 HE1 0.05 0.04 -0.06 -0.04 7.75 7.73 1taqA1 ARG 677 H 0.09 0.07 -0.35 -0.55 8.46 7.72 1taqA1 ARG 677 HA -0.06 0.07 0.35 -0.75 4.34 3.94 1taqA1 ARG 677 HB2 0.09 0.02 -0.06 -0.04 1.90 1.91 1taqA1 ARG 677 HB3 0.03 0.06 -0.14 -0.04 1.80 1.72 1taqA1 ARG 677 HG2 0.10 -0.00 -0.10 -0.04 1.67 1.63 1taqA1 ARG 677 HG3 0.07 -0.03 0.01 -0.04 1.67 1.68 1taqA1 ARG 677 HD2 0.13 -0.05 0.02 -0.04 3.22 3.28 1taqA1 ARG 677 HD3 0.17 0.34 0.01 -0.04 3.22 3.70 1taqA1 LEU 678 H -0.03 0.52 -0.19 -0.55 8.37 8.11 1taqA1 LEU 678 HA -0.00 0.01 0.29 -0.75 4.35 3.90 1taqA1 LEU 678 HB2 -0.04 -0.02 0.03 -0.04 1.64 1.56 1taqA1 LEU 678 HB3 -0.05 0.10 0.12 -0.04 1.64 1.76 1taqA1 LEU 678 HG -0.00 0.01 -0.36 -0.04 1.64 1.25 1taqA1 LEU 678 HD13 0.08 -0.02 -0.07 -0.04 0.93 0.88 1taqA1 LEU 678 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.84 1taqA1 SER 679 H -0.10 0.54 -0.17 -0.55 8.46 8.18 1taqA1 SER 679 HA -0.09 -0.04 0.36 -0.75 4.49 3.96 1taqA1 SER 679 HB2 -0.14 -0.08 0.10 -0.04 3.95 3.78 1taqA1 SER 679 HB3 -0.07 0.08 0.28 -0.04 3.93 4.17 1taqA1 GLN 680 H -0.18 0.41 -0.42 -0.55 8.47 7.73 1taqA1 GLN 680 HA -0.07 0.10 0.68 -0.75 4.36 4.32 1taqA1 GLN 680 HB2 -0.25 0.09 0.18 -0.04 2.15 2.13 1taqA1 GLN 680 HB3 -0.08 -0.05 -0.02 -0.04 2.02 1.83 1taqA1 GLN 680 HG2 -0.39 -0.04 -0.05 -0.04 2.40 1.88 1taqA1 GLN 680 HG3 -0.22 -0.08 -0.03 -0.04 2.39 2.02 1taqA1 GLN 680 HE21 0.02 -0.05 -0.01 -0.04 6.97 6.90 1taqA1 GLN 680 HE22 -0.01 0.04 -0.10 -0.04 7.69 7.59 1taqA1 GLU 681 H -0.03 0.53 0.17 -0.55 8.60 8.73 1taqA1 GLU 681 HA 0.03 -0.01 0.34 -0.75 4.29 3.89 1taqA1 GLU 681 HB2 0.04 0.02 0.06 -0.04 2.09 2.17 1taqA1 GLU 681 HB3 0.07 -0.04 -0.03 -0.04 1.99 1.94 1taqA1 GLU 681 HG2 0.16 -0.05 -0.01 -0.04 2.34 2.40 1taqA1 GLU 681 HG3 0.08 0.01 0.05 -0.04 2.34 2.44 1taqA1 LEU 682 H 0.00 0.37 -0.73 -0.55 8.37 7.47 1taqA1 LEU 682 HA 0.03 0.06 0.69 -0.75 4.35 4.38 1taqA1 LEU 682 HB2 0.06 0.10 -0.08 -0.04 1.64 1.67 1taqA1 LEU 682 HB3 0.05 -0.05 -0.19 -0.04 1.64 1.42 1taqA1 LEU 682 HG 0.05 0.09 -0.07 -0.04 1.64 1.67 1taqA1 LEU 682 HD13 0.15 -0.02 -0.11 -0.04 0.93 0.91 1taqA1 LEU 682 HD23 0.06 -0.04 -0.02 -0.04 0.89 0.85 1taqA1 ALA 683 H 0.02 0.09 0.05 -0.55 8.40 8.01 1taqA1 ALA 683 HA 0.01 0.15 0.50 -0.75 4.34 4.25 1taqA1 ALA 683 HB3 0.01 -0.01 0.15 -0.04 1.41 1.52 1taqA1 ILE 684 H -0.01 0.86 0.21 -0.55 8.25 8.76 1taqA1 ILE 684 HA -0.03 0.12 0.89 -0.75 4.18 4.41 1taqA1 ILE 684 HB -0.04 0.04 -0.25 -0.04 1.89 1.61 1taqA1 ILE 684 HG12 -0.13 -0.06 -0.13 -0.04 1.49 1.12 1taqA1 ILE 684 HG13 -0.05 0.01 0.02 -0.04 1.21 1.16 1taqA1 ILE 684 HG23 -0.24 -0.03 -0.22 -0.04 0.93 0.41 1taqA1 ILE 684 HD13 0.07 0.06 -0.35 -0.04 0.88 0.62 1taqA1 PRO 685 HA 0.04 0.09 0.49 -0.51 4.44 4.56 1taqA1 PRO 685 HB2 -0.01 -0.18 0.09 -0.04 2.28 2.14 1taqA1 PRO 685 HB3 0.03 0.04 0.14 -0.04 2.02 2.19 1taqA1 PRO 685 HG2 -0.00 0.05 0.10 -0.04 2.03 2.14 1taqA1 PRO 685 HG3 0.01 0.10 0.08 -0.04 2.03 2.18 1taqA1 PRO 685 HD2 -0.05 0.05 0.22 -0.04 3.68 3.86 1taqA1 PRO 685 HD3 -0.01 0.26 0.19 -0.04 3.65 4.04 1taqA1 TYR 686 H 0.18 0.18 0.19 -0.55 8.29 8.29 1taqA1 TYR 686 HA 0.01 0.13 0.39 -0.75 4.56 4.33 1taqA1 TYR 686 HB2 0.07 0.08 0.15 -0.04 3.06 3.32 1taqA1 TYR 686 HB3 0.02 -0.06 0.13 -0.04 2.98 3.03 1taqA1 TYR 686 HD2 0.09 0.02 -0.14 -0.04 7.15 7.08 1taqA1 TYR 686 HE2 0.07 -0.03 -0.05 -0.04 6.85 6.80 1taqA1 GLU 687 H 0.15 0.07 -0.27 -0.55 8.60 8.01 1taqA1 GLU 687 HA 0.09 0.06 0.31 -0.75 4.29 3.99 1taqA1 GLU 687 HB2 0.01 -0.01 0.04 -0.04 2.09 2.09 1taqA1 GLU 687 HB3 0.04 0.06 0.02 -0.04 1.99 2.07 1taqA1 GLU 687 HG2 0.08 -0.07 0.04 -0.04 2.34 2.35 1taqA1 GLU 687 HG3 0.05 0.08 0.03 -0.04 2.34 2.45 1taqA1 GLU 688 H -0.10 0.17 -0.16 -0.55 8.60 7.96 1taqA1 GLU 688 HA -0.20 0.03 0.41 -0.75 4.29 3.77 1taqA1 GLU 688 HB2 -0.15 -0.04 0.11 -0.04 2.09 1.97 1taqA1 GLU 688 HB3 -0.31 0.13 0.02 -0.04 1.99 1.78 1taqA1 GLU 688 HG2 -1.19 -0.00 -0.10 -0.04 2.34 1.01 1taqA1 GLU 688 HG3 -0.23 -0.01 0.05 -0.04 2.34 2.10 1taqA1 ALA 689 H -0.26 0.48 -0.28 -0.55 8.40 7.79 1taqA1 ALA 689 HA -0.32 0.03 0.36 -0.75 4.34 3.66 1taqA1 ALA 689 HB3 -0.20 0.05 -0.00 -0.04 1.41 1.22 1taqA1 GLN 690 H -0.24 0.47 -0.25 -0.55 8.47 7.91 1taqA1 GLN 690 HA -0.12 0.00 0.58 -0.75 4.36 4.07 1taqA1 GLN 690 HB2 -0.10 0.23 0.17 -0.04 2.15 2.41 1taqA1 GLN 690 HB3 -0.03 -0.03 -0.01 -0.04 2.02 1.90 1taqA1 GLN 690 HG2 -0.33 -0.10 0.02 -0.04 2.40 1.95 1taqA1 GLN 690 HG3 -0.61 0.06 -0.06 -0.04 2.39 1.74 1taqA1 GLN 690 HE21 0.11 0.02 0.01 -0.04 6.97 7.07 1taqA1 GLN 690 HE22 0.02 -0.04 0.03 -0.04 7.69 7.66 1taqA1 ALA 691 H -0.09 0.38 -0.11 -0.55 8.40 8.04 1taqA1 ALA 691 HA 0.04 0.03 0.54 -0.75 4.34 4.19 1taqA1 ALA 691 HB3 0.02 0.05 0.11 -0.04 1.41 1.55 1taqA1 PHE 692 H 0.07 0.52 -0.11 -0.55 8.34 8.27 1taqA1 PHE 692 HA -0.09 0.06 0.36 -0.75 4.62 4.19 1taqA1 PHE 692 HB2 -0.03 0.11 0.12 -0.04 3.15 3.31 1taqA1 PHE 692 HB3 -0.01 -0.02 -0.07 -0.04 3.06 2.91 1taqA1 PHE 692 HD2 0.02 -0.04 -0.09 -0.04 7.28 7.13 1taqA1 PHE 692 HE2 0.16 -0.01 -0.07 -0.04 7.38 7.43 1taqA1 PHE 692 HZ 0.23 -0.02 -0.06 -0.04 7.32 7.43 1taqA1 ILE 693 H 0.07 0.32 -0.39 -0.55 8.25 7.70 1taqA1 ILE 693 HA -0.08 0.04 0.47 -0.75 4.18 3.86 1taqA1 ILE 693 HB 0.00 0.11 0.17 -0.04 1.89 2.13 1taqA1 ILE 693 HG12 -0.12 -0.01 0.01 -0.04 1.49 1.32 1taqA1 ILE 693 HG13 -0.03 0.09 0.03 -0.04 1.21 1.26 1taqA1 ILE 693 HG23 0.01 -0.01 -0.11 -0.04 0.93 0.78 1taqA1 ILE 693 HD13 -0.04 -0.02 -0.07 -0.04 0.88 0.71 1taqA1 GLU 694 H 0.05 0.43 -0.15 -0.55 8.60 8.38 1taqA1 GLU 694 HA 0.13 -0.01 0.34 -0.75 4.29 4.01 1taqA1 GLU 694 HB2 0.05 0.11 0.27 -0.04 2.09 2.48 1taqA1 GLU 694 HB3 0.05 0.01 0.00 -0.04 1.99 2.01 1taqA1 GLU 694 HG2 0.07 0.01 0.07 -0.04 2.34 2.45 1taqA1 GLU 694 HG3 0.05 -0.02 0.03 -0.04 2.34 2.36 1taqA1 ARG 695 H 0.03 0.61 -0.12 -0.55 8.46 8.43 1taqA1 ARG 695 HA -0.03 0.01 0.38 -0.75 4.34 3.95 1taqA1 ARG 695 HB2 -0.12 0.09 0.11 -0.04 1.90 1.95 1taqA1 ARG 695 HB3 -0.15 0.05 0.14 -0.04 1.80 1.79 1taqA1 ARG 695 HG2 -0.04 -0.08 0.07 -0.04 1.67 1.58 1taqA1 ARG 695 HG3 0.01 0.33 0.09 -0.04 1.67 2.05 1taqA1 ARG 695 HD2 -0.25 -0.11 -0.03 -0.04 3.22 2.79 1taqA1 ARG 695 HD3 -0.28 0.42 0.17 -0.04 3.22 3.49 1taqA1 TYR 696 H 0.05 0.39 -0.40 -0.55 8.29 7.78 1taqA1 TYR 696 HA 0.00 0.01 0.35 -0.75 4.56 4.17 1taqA1 TYR 696 HB2 -0.15 0.07 0.13 -0.04 3.06 3.07 1taqA1 TYR 696 HB3 -0.44 0.16 0.19 -0.04 2.98 2.86 1taqA1 TYR 696 HD2 -0.55 0.03 -0.13 -0.04 7.15 6.46 1taqA1 TYR 696 HE2 -0.02 -0.02 -0.07 -0.04 6.85 6.69 1taqA1 PHE 697 H 0.01 0.58 -0.06 -0.55 8.34 8.32 1taqA1 PHE 697 HA 0.10 0.08 0.50 -0.75 4.62 4.55 1taqA1 PHE 697 HB2 0.09 0.09 0.06 -0.04 3.15 3.35 1taqA1 PHE 697 HB3 0.08 -0.07 0.04 -0.04 3.06 3.07 1taqA1 PHE 697 HD2 0.16 0.12 0.00 -0.04 7.28 7.52 1taqA1 PHE 697 HE2 0.16 -0.03 -0.08 -0.04 7.38 7.39 1taqA1 PHE 697 HZ 0.03 0.04 -0.04 -0.04 7.32 7.30 1taqA1 GLN 698 H 0.04 0.43 -0.40 -0.55 8.47 8.00 1taqA1 GLN 698 HA 0.01 -0.00 0.53 -0.75 4.36 4.14 1taqA1 GLN 698 HB2 -0.04 0.18 0.18 -0.04 2.15 2.43 1taqA1 GLN 698 HB3 -0.06 -0.06 0.01 -0.04 2.02 1.88 1taqA1 GLN 698 HG2 0.03 0.24 -0.11 -0.04 2.40 2.52 1taqA1 GLN 698 HG3 -0.01 -0.06 -0.07 -0.04 2.39 2.21 1taqA1 GLN 698 HE21 0.02 -0.04 -0.02 -0.04 6.97 6.88 1taqA1 GLN 698 HE22 0.03 -0.02 -0.05 -0.04 7.69 7.60 1taqA1 SER 699 H -0.17 0.47 -0.17 -0.55 8.46 8.05 1taqA1 SER 699 HA -0.37 0.07 0.70 -0.75 4.49 4.13 1taqA1 SER 699 HB2 -0.91 -0.11 -0.01 -0.04 3.95 2.87 1taqA1 SER 699 HB3 -0.21 -0.04 0.07 -0.04 3.93 3.71 1taqA1 PHE 700 H -0.06 0.21 -0.30 -0.55 8.34 7.63 1taqA1 PHE 700 HA -0.03 0.06 0.85 -0.75 4.62 4.74 1taqA1 PHE 700 HB2 -0.24 0.13 0.13 -0.04 3.15 3.12 1taqA1 PHE 700 HB3 0.02 -0.19 0.12 -0.04 3.06 2.96 1taqA1 PHE 700 HD2 -0.74 -0.01 -0.01 -0.04 7.28 6.48 1taqA1 PHE 700 HE2 -0.08 -0.04 -0.28 -0.04 7.38 6.94 1taqA1 PHE 700 HZ -0.03 -0.03 -0.11 -0.04 7.32 7.11 1taqA1 PRO 701 HA 0.07 0.16 0.49 -0.51 4.44 4.66 1taqA1 PRO 701 HB2 0.01 -0.05 0.04 -0.04 2.28 2.25 1taqA1 PRO 701 HB3 0.01 0.05 0.10 -0.04 2.02 2.13 1taqA1 PRO 701 HG2 -0.04 0.02 0.04 -0.04 2.03 2.00 1taqA1 PRO 701 HG3 -0.01 0.23 0.05 -0.04 2.03 2.26 1taqA1 PRO 701 HD2 0.01 -0.07 0.08 -0.04 3.68 3.65 1taqA1 PRO 701 HD3 -0.07 0.25 -0.62 -0.04 3.65 3.17 1taqA1 LYS 702 H 0.08 0.14 -0.05 -0.55 8.42 8.03 1taqA1 LYS 702 HA 0.05 0.12 0.47 -0.75 4.32 4.20 1taqA1 LYS 702 HB2 0.08 -0.15 -0.06 -0.04 1.87 1.70 1taqA1 LYS 702 HB3 0.06 0.28 -0.12 -0.04 1.79 1.96 1taqA1 LYS 702 HG2 0.03 -0.07 0.05 -0.04 1.46 1.44 1taqA1 LYS 702 HG3 0.03 -0.00 -0.10 -0.04 1.46 1.35 1taqA1 LYS 702 HD2 0.03 0.01 0.02 -0.04 1.69 1.71 1taqA1 LYS 702 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 1taqA1 LYS 702 HE2 0.02 0.17 -0.04 -0.04 2.99 3.10 1taqA1 LYS 702 HE3 0.01 0.01 0.01 -0.04 2.99 2.97 1taqA1 VAL 703 H 0.18 0.16 -0.42 -0.55 8.24 7.61 1taqA1 VAL 703 HA 0.14 0.08 0.47 -0.75 4.13 4.08 1taqA1 VAL 703 HB 0.44 0.25 0.14 -0.04 2.12 2.92 1taqA1 VAL 703 HG13 0.48 0.01 -0.10 -0.04 0.97 1.32 1taqA1 VAL 703 HG23 0.02 -0.02 -0.01 -0.04 0.95 0.90 1taqA1 ARG 704 H -0.07 0.31 -0.12 -0.55 8.46 8.03 1taqA1 ARG 704 HA -0.74 0.04 0.39 -0.75 4.34 3.27 1taqA1 ARG 704 HB2 -1.58 -0.01 0.13 -0.04 1.90 0.40 1taqA1 ARG 704 HB3 -0.30 0.20 0.25 -0.04 1.80 1.90 1taqA1 ARG 704 HG2 -0.26 -0.01 -0.30 -0.04 1.67 1.06 1taqA1 ARG 704 HG3 -0.51 -0.04 0.02 -0.04 1.67 1.09 1taqA1 ARG 704 HD2 -0.12 0.06 0.03 -0.04 3.22 3.15 1taqA1 ARG 704 HD3 -0.10 -0.02 -0.04 -0.04 3.22 3.01 1taqA1 ALA 705 H -0.05 0.54 0.00 -0.55 8.40 8.35 1taqA1 ALA 705 HA -0.06 -0.01 0.42 -0.75 4.34 3.94 1taqA1 ALA 705 HB3 0.01 0.02 0.11 -0.04 1.41 1.51 1taqA1 TRP 706 H 0.20 0.52 -0.31 -0.55 7.97 7.83 1taqA1 TRP 706 HA -0.04 0.04 0.46 -0.75 4.62 4.33 1taqA1 TRP 706 HB2 -0.03 0.09 0.24 -0.04 3.23 3.49 1taqA1 TRP 706 HB3 -0.05 0.11 0.25 -0.04 3.23 3.50 1taqA1 TRP 706 HD1 -0.02 0.15 0.05 -0.04 7.22 7.36 1taqA1 TRP 706 HE1 0.01 0.02 -0.06 -0.04 10.20 10.13 1taqA1 TRP 706 HE3 -0.12 0.05 0.03 -0.04 7.59 7.51 1taqA1 TRP 706 HZ2 0.05 -0.01 0.02 -0.04 7.44 7.47 1taqA1 TRP 706 HZ3 -0.23 0.04 -0.00 -0.04 7.13 6.90 1taqA1 TRP 706 HH2 0.12 0.16 0.12 -0.04 7.19 7.54 1taqA1 ILE 707 H 0.13 0.50 -0.03 -0.55 8.25 8.30 1taqA1 ILE 707 HA -0.64 0.01 0.37 -0.75 4.18 3.17 1taqA1 ILE 707 HB -0.16 0.10 0.20 -0.04 1.89 1.99 1taqA1 ILE 707 HG12 -0.36 -0.00 0.06 -0.04 1.49 1.15 1taqA1 ILE 707 HG13 0.36 0.08 0.16 -0.04 1.21 1.77 1taqA1 ILE 707 HG23 -0.18 -0.02 -0.10 -0.04 0.93 0.59 1taqA1 ILE 707 HD13 -0.00 -0.03 -0.01 -0.04 0.88 0.79 1taqA1 GLU 708 H -0.14 0.58 -0.18 -0.55 8.60 8.31 1taqA1 GLU 708 HA -0.09 -0.03 0.34 -0.75 4.29 3.76 1taqA1 GLU 708 HB2 -0.09 0.14 0.21 -0.04 2.09 2.30 1taqA1 GLU 708 HB3 -0.08 -0.06 0.04 -0.04 1.99 1.85 1taqA1 GLU 708 HG2 -0.08 -0.07 0.04 -0.04 2.34 2.19 1taqA1 GLU 708 HG3 -0.13 0.24 0.06 -0.04 2.34 2.47 1taqA1 LYS 709 H -0.16 0.63 -0.08 -0.55 8.42 8.25 1taqA1 LYS 709 HA -0.11 -0.02 0.52 -0.75 4.32 3.95 1taqA1 LYS 709 HB2 -0.08 0.00 0.15 -0.04 1.87 1.90 1taqA1 LYS 709 HB3 -0.15 0.14 0.17 -0.04 1.79 1.91 1taqA1 LYS 709 HG2 -0.05 0.03 0.02 -0.04 1.46 1.42 1taqA1 LYS 709 HG3 -0.11 -0.04 -0.04 -0.04 1.46 1.23 1taqA1 LYS 709 HD2 -0.08 -0.08 0.12 -0.04 1.69 1.61 1taqA1 LYS 709 HD3 -0.05 0.01 0.04 -0.04 1.68 1.64 1taqA1 LYS 709 HE2 -0.04 0.04 0.02 -0.04 2.99 2.97 1taqA1 LYS 709 HE3 -0.06 -0.03 0.03 -0.04 2.99 2.89 1taqA1 THR 710 H -0.46 0.73 0.01 -0.55 8.28 8.01 1taqA1 THR 710 HA -0.32 0.01 0.46 -0.75 4.39 3.79 1taqA1 THR 710 HB -0.52 0.09 0.17 -0.04 4.32 4.02 1taqA1 THR 710 HG23 -0.31 -0.03 -0.01 -0.04 1.22 0.83 1taqA1 LEU 711 H -0.17 0.57 -0.11 -0.55 8.37 8.11 1taqA1 LEU 711 HA -0.09 0.04 0.45 -0.75 4.35 3.99 1taqA1 LEU 711 HB2 -0.06 0.15 0.09 -0.04 1.64 1.78 1taqA1 LEU 711 HB3 -0.04 -0.06 0.08 -0.04 1.64 1.58 1taqA1 LEU 711 HG 0.03 0.26 0.07 -0.04 1.64 1.97 1taqA1 LEU 711 HD13 0.07 -0.02 -0.00 -0.04 0.93 0.93 1taqA1 LEU 711 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 1taqA1 GLU 712 H -0.12 0.23 -0.39 -0.55 8.60 7.77 1taqA1 GLU 712 HA -0.07 0.04 0.51 -0.75 4.29 4.03 1taqA1 GLU 712 HB2 -0.08 0.09 0.17 -0.04 2.09 2.24 1taqA1 GLU 712 HB3 -0.09 0.06 0.20 -0.04 1.99 2.12 1taqA1 GLU 712 HG2 -0.06 -0.04 -0.01 -0.04 2.34 2.19 1taqA1 GLU 712 HG3 -0.05 -0.02 0.03 -0.04 2.34 2.26 1taqA1 GLU 713 H -0.13 0.76 0.16 -0.55 8.60 8.85 1taqA1 GLU 713 HA -0.12 -0.03 0.52 -0.75 4.29 3.90 1taqA1 GLU 713 HB2 -0.15 0.11 0.17 -0.04 2.09 2.18 1taqA1 GLU 713 HB3 -0.18 0.01 0.05 -0.04 1.99 1.84 1taqA1 GLU 713 HG2 -0.09 -0.06 0.08 -0.04 2.34 2.23 1taqA1 GLU 713 HG3 -0.10 0.04 0.10 -0.04 2.34 2.34 1taqA1 GLY 714 H -0.15 0.45 -0.35 -0.55 8.43 7.85 1taqA1 GLY 714 HA2 -0.19 0.14 0.30 -0.51 4.01 3.75 1taqA1 GLY 714 HA3 -0.12 0.04 0.25 -0.51 4.01 3.67 1taqA1 ARG 715 H -0.09 0.64 -0.16 -0.55 8.46 8.29 1taqA1 ARG 715 HA -0.05 -0.03 0.34 -0.75 4.34 3.85 1taqA1 ARG 715 HB2 -0.06 0.10 0.25 -0.04 1.90 2.15 1taqA1 ARG 715 HB3 -0.04 -0.08 0.00 -0.04 1.80 1.65 1taqA1 ARG 715 HG2 -0.03 -0.12 -0.09 -0.04 1.67 1.39 1taqA1 ARG 715 HG3 -0.05 0.09 0.08 -0.04 1.67 1.75 1taqA1 ARG 715 HD2 -0.03 -0.05 -0.02 -0.04 3.22 3.07 1taqA1 ARG 715 HD3 -0.03 -0.01 -0.06 -0.04 3.22 3.08 1taqA1 ARG 716 H -0.09 0.65 -0.08 -0.55 8.46 8.39 1taqA1 ARG 716 HA -0.05 -0.01 0.46 -0.75 4.34 3.99 1taqA1 ARG 716 HB2 -0.06 -0.00 0.13 -0.04 1.90 1.93 1taqA1 ARG 716 HB3 -0.09 -0.03 0.22 -0.04 1.80 1.85 1taqA1 ARG 716 HG2 -0.04 0.02 -0.03 -0.04 1.67 1.58 1taqA1 ARG 716 HG3 -0.04 -0.07 0.02 -0.04 1.67 1.54 1taqA1 ARG 716 HD2 -0.06 0.05 -0.09 -0.04 3.22 3.08 1taqA1 ARG 716 HD3 -0.03 -0.05 -0.03 -0.04 3.22 3.06 1taqA1 ARG 717 H -0.18 0.61 0.13 -0.55 8.46 8.47 1taqA1 ARG 717 HA -0.09 0.00 0.49 -0.75 4.34 3.99 1taqA1 ARG 717 HB2 -0.65 0.21 0.17 -0.04 1.90 1.58 1taqA1 ARG 717 HB3 -0.73 -0.07 0.07 -0.04 1.80 1.03 1taqA1 ARG 717 HG2 -0.16 -0.07 0.05 -0.04 1.67 1.46 1taqA1 ARG 717 HG3 -0.18 -0.09 0.14 -0.04 1.67 1.50 1taqA1 ARG 717 HD2 -0.18 -0.11 0.07 -0.04 3.22 2.96 1taqA1 ARG 717 HD3 -0.43 0.15 0.01 -0.04 3.22 2.91 1taqA1 GLY 718 H -0.14 0.62 -0.13 -0.55 8.43 8.23 1taqA1 GLY 718 HA2 0.01 0.05 0.27 -0.51 4.01 3.84 1taqA1 GLY 718 HA3 0.11 0.06 0.67 -0.51 4.01 4.35 1taqA1 TYR 719 H -0.43 0.31 0.02 -0.55 8.29 7.64 1taqA1 TYR 719 HA -0.16 -0.02 0.80 -0.75 4.56 4.43 1taqA1 TYR 719 HB2 -0.49 -0.01 -0.11 -0.04 3.06 2.42 1taqA1 TYR 719 HB3 -0.76 -0.01 -0.31 -0.04 2.98 1.86 1taqA1 TYR 719 HD2 -0.16 0.22 -0.35 -0.04 7.15 6.83 1taqA1 TYR 719 HE2 -0.04 -0.01 -0.11 -0.04 6.85 6.65 1taqA1 VAL 720 H 0.03 0.35 0.28 -0.55 8.24 8.35 1taqA1 VAL 720 HA -0.08 0.15 0.82 -0.75 4.13 4.27 1taqA1 VAL 720 HB 0.01 -0.06 0.28 -0.04 2.12 2.31 1taqA1 VAL 720 HG13 -0.08 0.05 -0.02 -0.04 0.97 0.88 1taqA1 VAL 720 HG23 0.01 0.06 0.04 -0.04 0.95 1.02 1taqA1 GLU 721 H 0.06 0.27 0.24 -0.55 8.60 8.63 1taqA1 GLU 721 HA 0.06 0.45 0.66 -0.75 4.29 4.71 1taqA1 GLU 721 HB2 0.09 -0.05 -0.15 -0.04 2.09 1.94 1taqA1 GLU 721 HB3 0.07 -0.05 -0.06 -0.04 1.99 1.91 1taqA1 GLU 721 HG2 0.10 0.10 -0.27 -0.04 2.34 2.23 1taqA1 GLU 721 HG3 0.28 -0.06 -0.62 -0.04 2.34 1.90 1taqA1 THR 722 H 0.06 0.13 0.11 -0.55 8.28 8.03 1taqA1 THR 722 HA 0.06 0.19 0.82 -0.75 4.39 4.71 1taqA1 THR 722 HB 0.00 -0.04 0.03 -0.04 4.32 4.27 1taqA1 THR 722 HG23 0.06 0.10 -0.09 -0.04 1.22 1.25 1taqA1 LEU 723 H -0.12 0.19 0.16 -0.55 8.37 8.05 1taqA1 LEU 723 HA -0.07 0.11 0.38 -0.75 4.35 4.02 1taqA1 LEU 723 HB2 -0.24 0.02 0.14 -0.04 1.64 1.52 1taqA1 LEU 723 HB3 -0.65 -0.05 0.15 -0.04 1.64 1.05 1taqA1 LEU 723 HG -0.72 0.03 -0.22 -0.04 1.64 0.69 1taqA1 LEU 723 HD13 0.02 0.01 0.01 -0.04 0.93 0.93 1taqA1 LEU 723 HD23 -0.67 0.01 -0.05 -0.04 0.89 0.15 1taqA1 PHE 724 H -0.17 0.02 -0.21 -0.55 8.34 7.42 1taqA1 PHE 724 HA -0.15 0.22 0.49 -0.75 4.62 4.42 1taqA1 PHE 724 HB2 0.07 -0.06 0.02 -0.04 3.15 3.14 1taqA1 PHE 724 HB3 0.19 0.05 0.10 -0.04 3.06 3.35 1taqA1 PHE 724 HD2 -0.21 0.01 -0.09 -0.04 7.28 6.95 1taqA1 PHE 724 HE2 -0.84 0.04 -0.13 -0.04 7.38 6.41 1taqA1 PHE 724 HZ -1.54 0.06 -0.08 -0.04 7.32 5.72 1taqA1 GLY 725 H 0.08 0.35 -0.45 -0.55 8.43 7.86 1taqA1 GLY 725 HA2 0.07 0.07 0.20 -0.51 4.01 3.84 1taqA1 GLY 725 HA3 0.09 0.16 0.78 -0.51 4.01 4.54 1taqA1 ARG 726 H 0.11 -0.06 -0.10 -0.55 8.46 7.86 1taqA1 ARG 726 HA 0.04 0.10 0.42 -0.75 4.34 4.14 1taqA1 ARG 726 HB2 0.11 -0.03 0.02 -0.04 1.90 1.97 1taqA1 ARG 726 HB3 0.07 -0.10 0.07 -0.04 1.80 1.80 1taqA1 ARG 726 HG2 -0.02 0.12 -0.25 -0.04 1.67 1.49 1taqA1 ARG 726 HG3 0.01 0.02 -0.01 -0.04 1.67 1.65 1taqA1 ARG 726 HD2 0.08 0.01 -0.03 -0.04 3.22 3.24 1taqA1 ARG 726 HD3 0.05 0.03 -0.09 -0.04 3.22 3.16 1taqA1 ARG 727 H -0.06 0.18 0.25 -0.55 8.46 8.29 1taqA1 ARG 727 HA -0.07 0.28 0.71 -0.75 4.34 4.50 1taqA1 ARG 727 HB2 -0.21 0.01 0.13 -0.04 1.90 1.80 1taqA1 ARG 727 HB3 -0.19 0.08 0.06 -0.04 1.80 1.70 1taqA1 ARG 727 HG2 -1.05 -0.06 -0.14 -0.04 1.67 0.38 1taqA1 ARG 727 HG3 -0.69 0.11 -0.01 -0.04 1.67 1.03 1taqA1 ARG 727 HD2 -0.47 0.02 -0.02 -0.04 3.22 2.71 1taqA1 ARG 727 HD3 -1.83 -0.02 -0.07 -0.04 3.22 1.27 1taqA1 ARG 728 H -0.09 0.36 0.16 -0.55 8.46 8.33 1taqA1 ARG 728 HA -0.01 0.13 0.70 -0.75 4.34 4.41 1taqA1 ARG 728 HB2 -0.01 0.14 -0.05 -0.04 1.90 1.94 1taqA1 ARG 728 HB3 -0.00 -0.07 0.01 -0.04 1.80 1.69 1taqA1 ARG 728 HG2 0.02 -0.07 -0.39 -0.04 1.67 1.19 1taqA1 ARG 728 HG3 0.05 -0.01 -0.10 -0.04 1.67 1.57 1taqA1 ARG 728 HD2 0.02 0.03 -0.08 -0.04 3.22 3.15 1taqA1 ARG 728 HD3 0.03 -0.11 -0.12 -0.04 3.22 2.98 1taqA1 TYR 729 H 0.27 0.13 0.09 -0.55 8.29 8.23 1taqA1 TYR 729 HA 0.12 0.18 0.75 -0.75 4.56 4.85 1taqA1 TYR 729 HB2 0.01 -0.08 0.18 -0.04 3.06 3.13 1taqA1 TYR 729 HB3 0.04 0.04 0.05 -0.04 2.98 3.07 1taqA1 TYR 729 HD2 0.03 0.00 0.01 -0.04 7.15 7.15 1taqA1 TYR 729 HE2 -0.05 0.15 0.00 -0.04 6.85 6.90 1taqA1 VAL 730 H 0.06 0.52 0.27 -0.55 8.24 8.54 1taqA1 VAL 730 HA 0.04 0.12 0.89 -0.75 4.13 4.43 1taqA1 VAL 730 HB -0.02 -0.15 -0.01 -0.04 2.12 1.90 1taqA1 VAL 730 HG13 -0.01 0.02 -0.21 -0.04 0.97 0.72 1taqA1 VAL 730 HG23 -0.03 0.03 -0.03 -0.04 0.95 0.87 1taqA1 PRO 731 HA 0.04 0.20 0.52 -0.51 4.44 4.68 1taqA1 PRO 731 HB2 0.03 -0.05 0.01 -0.04 2.28 2.23 1taqA1 PRO 731 HB3 0.04 0.06 0.08 -0.04 2.02 2.16 1taqA1 PRO 731 HG2 0.05 0.02 0.02 -0.04 2.03 2.08 1taqA1 PRO 731 HG3 0.10 0.11 -0.01 -0.04 2.03 2.18 1taqA1 PRO 731 HD2 0.05 -0.01 0.14 -0.04 3.68 3.81 1taqA1 PRO 731 HD3 0.10 0.36 -0.50 -0.04 3.65 3.58 1taqA1 ASP 732 H 0.01 0.14 -0.15 -0.55 8.40 7.85 1taqA1 ASP 732 HA 0.00 0.20 0.24 -0.75 4.63 4.31 1taqA1 ASP 732 HB2 -0.00 0.01 0.03 -0.04 2.71 2.71 1taqA1 ASP 732 HB3 -0.00 -0.02 0.04 -0.04 2.70 2.67 1taqA1 LEU 733 H -0.01 0.35 -0.70 -0.55 8.37 7.46 1taqA1 LEU 733 HA -0.03 -0.02 0.36 -0.75 4.35 3.91 1taqA1 LEU 733 HB2 -0.03 0.17 -0.01 -0.04 1.64 1.72 1taqA1 LEU 733 HB3 -0.04 0.00 -0.08 -0.04 1.64 1.49 1taqA1 LEU 733 HG -0.05 0.03 -0.14 -0.04 1.64 1.44 1taqA1 LEU 733 HD13 -0.07 0.04 -0.15 -0.04 0.93 0.70 1taqA1 LEU 733 HD23 -0.07 -0.03 -0.18 -0.04 0.89 0.57 1taqA1 GLU 734 H -0.01 0.35 -0.22 -0.55 8.60 8.18 1taqA1 GLU 734 HA -0.01 0.10 0.65 -0.75 4.29 4.28 1taqA1 GLU 734 HB2 -0.01 0.03 0.10 -0.04 2.09 2.17 1taqA1 GLU 734 HB3 -0.00 0.06 0.26 -0.04 1.99 2.26 1taqA1 GLU 734 HG2 -0.01 -0.00 0.06 -0.04 2.34 2.35 1taqA1 GLU 734 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.30 1taqA1 ALA 735 H -0.00 0.26 -0.17 -0.55 8.40 7.94 1taqA1 ALA 735 HA -0.00 0.20 0.78 -0.75 4.34 4.56 1taqA1 ALA 735 HB3 -0.00 -0.05 0.01 -0.04 1.41 1.33 1taqA1 ARG 736 H 0.00 -0.06 0.15 -0.55 8.46 8.00 1taqA1 ARG 736 HA 0.00 0.27 0.85 -0.75 4.34 4.70 1taqA1 ARG 736 HB2 0.00 0.09 0.02 -0.04 1.90 1.97 1taqA1 ARG 736 HB3 0.00 -0.10 0.15 -0.04 1.80 1.81 1taqA1 ARG 736 HG2 0.00 -0.06 -0.27 -0.04 1.67 1.29 1taqA1 ARG 736 HG3 0.00 0.05 0.02 -0.04 1.67 1.69 1taqA1 ARG 736 HD2 0.00 -0.04 -0.01 -0.04 3.22 3.13 1taqA1 ARG 736 HD3 0.00 -0.00 -0.02 -0.04 3.22 3.15 1taqA1 VAL 737 H 0.00 0.00 0.16 -0.55 8.24 7.86 1taqA1 VAL 737 HA 0.00 0.10 0.46 -0.75 4.13 3.94 1taqA1 VAL 737 HB 0.00 -0.05 0.16 -0.04 2.12 2.19 1taqA1 VAL 737 HG13 0.01 -0.02 -0.03 -0.04 0.97 0.88 1taqA1 VAL 737 HG23 0.00 0.04 0.10 -0.04 0.95 1.04 1taqA1 LYS 738 H 0.00 0.21 0.23 -0.55 8.42 8.32 1taqA1 LYS 738 HA 0.01 0.16 0.40 -0.75 4.32 4.14 1taqA1 LYS 738 HB2 0.01 0.11 0.15 -0.04 1.87 2.10 1taqA1 LYS 738 HB3 0.01 -0.09 0.21 -0.04 1.79 1.87 1taqA1 LYS 738 HG2 0.02 0.00 -0.36 -0.04 1.46 1.08 1taqA1 LYS 738 HG3 0.02 0.05 -0.03 -0.04 1.46 1.46 1taqA1 LYS 738 HD2 0.01 0.03 0.02 -0.04 1.69 1.71 1taqA1 LYS 738 HD3 0.01 -0.04 0.01 -0.04 1.68 1.61 1taqA1 LYS 738 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 1taqA1 LYS 738 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 1taqA1 SER 739 H 0.01 0.10 -0.05 -0.55 8.46 7.97 1taqA1 SER 739 HA 0.02 0.09 0.26 -0.75 4.49 4.11 1taqA1 SER 739 HB2 0.01 0.01 -0.03 -0.04 3.95 3.90 1taqA1 SER 739 HB3 0.01 0.06 0.06 -0.04 3.93 4.02 1taqA1 VAL 740 H 0.01 0.08 -0.73 -0.55 8.24 7.05 1taqA1 VAL 740 HA 0.00 0.13 0.72 -0.75 4.13 4.23 1taqA1 VAL 740 HB 0.00 0.00 0.13 -0.04 2.12 2.21 1taqA1 VAL 740 HG13 0.00 0.03 -0.05 -0.04 0.97 0.91 1taqA1 VAL 740 HG23 0.01 -0.01 -0.04 -0.04 0.95 0.86 1taqA1 ARG 741 H 0.00 0.60 0.15 -0.55 8.46 8.66 1taqA1 ARG 741 HA -0.01 0.28 0.62 -0.75 4.34 4.48 1taqA1 ARG 741 HB2 -0.01 0.25 0.23 -0.04 1.90 2.33 1taqA1 ARG 741 HB3 -0.00 -0.18 0.04 -0.04 1.80 1.62 1taqA1 ARG 741 HG2 0.00 0.02 0.02 -0.04 1.67 1.67 1taqA1 ARG 741 HG3 0.01 -0.03 -0.09 -0.04 1.67 1.52 1taqA1 ARG 741 HD2 0.00 0.02 -0.24 -0.04 3.22 2.96 1taqA1 ARG 741 HD3 0.00 -0.07 -0.09 -0.04 3.22 3.03 1taqA1 GLU 742 H 0.01 0.32 -0.47 -0.55 8.60 7.92 1taqA1 GLU 742 HA 0.01 0.10 0.47 -0.75 4.29 4.13 1taqA1 GLU 742 HB2 0.02 0.18 -0.05 -0.04 2.09 2.20 1taqA1 GLU 742 HB3 0.03 0.04 -0.13 -0.04 1.99 1.89 1taqA1 GLU 742 HG2 0.06 -0.03 -0.02 -0.04 2.34 2.31 1taqA1 GLU 742 HG3 0.05 0.02 0.04 -0.04 2.34 2.41 1taqA1 ALA 743 H -0.00 0.30 -0.42 -0.55 8.40 7.73 1taqA1 ALA 743 HA -0.01 0.11 0.66 -0.75 4.34 4.35 1taqA1 ALA 743 HB3 -0.00 0.04 0.16 -0.04 1.41 1.56 1taqA1 ALA 744 H -0.02 0.40 0.03 -0.55 8.40 8.26 1taqA1 ALA 744 HA -0.05 0.03 0.29 -0.75 4.34 3.86 1taqA1 ALA 744 HB3 -0.03 0.05 -0.22 -0.04 1.41 1.17 1taqA1 GLU 745 H -0.06 0.31 -0.54 -0.55 8.60 7.76 1taqA1 GLU 745 HA -0.16 0.04 0.36 -0.75 4.29 3.77 1taqA1 GLU 745 HB2 -0.03 -0.01 0.10 -0.04 2.09 2.11 1taqA1 GLU 745 HB3 -0.03 -0.05 -0.03 -0.04 1.99 1.85 1taqA1 GLU 745 HG2 -0.04 -0.06 0.06 -0.04 2.34 2.25 1taqA1 GLU 745 HG3 -0.03 0.29 0.18 -0.04 2.34 2.73 1taqA1 ARG 746 H -0.12 0.33 -0.42 -0.55 8.46 7.70 1taqA1 ARG 746 HA -0.31 0.08 0.38 -0.75 4.34 3.73 1taqA1 ARG 746 HB2 -0.05 0.18 0.28 -0.04 1.90 2.27 1taqA1 ARG 746 HB3 -0.04 -0.06 0.04 -0.04 1.80 1.70 1taqA1 ARG 746 HG2 0.08 -0.09 0.11 -0.04 1.67 1.74 1taqA1 ARG 746 HG3 0.21 0.22 0.18 -0.04 1.67 2.24 1taqA1 ARG 746 HD2 0.08 -0.10 0.05 -0.04 3.22 3.20 1taqA1 ARG 746 HD3 0.04 0.35 0.24 -0.04 3.22 3.81 1taqA1 MET 747 H -0.12 0.40 -0.01 -0.55 8.47 8.19 1taqA1 MET 747 HA -0.06 -0.02 0.34 -0.75 4.52 4.03 1taqA1 MET 747 HB2 -0.03 -0.05 0.04 -0.04 2.15 2.06 1taqA1 MET 747 HB3 -0.06 0.07 0.06 -0.04 2.03 2.05 1taqA1 MET 747 HG2 -0.01 -0.03 -0.11 -0.04 2.63 2.44 1taqA1 MET 747 HG3 -0.04 0.09 -0.42 -0.04 2.56 2.15 1taqA1 MET 747 HE3 0.03 0.01 -0.11 -0.04 2.10 1.98 1taqA1 ALA 748 H -0.26 0.49 -0.48 -0.55 8.40 7.60 1taqA1 ALA 748 HA -0.10 -0.00 0.30 -0.75 4.34 3.79 1taqA1 ALA 748 HB3 -0.20 0.06 0.02 -0.04 1.41 1.25 1taqA1 PHE 749 H -0.89 0.42 -0.08 -0.55 8.34 7.24 1taqA1 PHE 749 HA 0.02 0.17 0.97 -0.75 4.62 5.02 1taqA1 PHE 749 HB2 0.15 -0.05 0.15 -0.04 3.15 3.36 1taqA1 PHE 749 HB3 -0.36 -0.03 0.06 -0.04 3.06 2.70 1taqA1 PHE 749 HD2 0.02 0.02 -0.14 -0.04 7.28 7.14 1taqA1 PHE 749 HE2 0.06 -0.22 -0.15 -0.04 7.38 7.03 1taqA1 PHE 749 HZ 0.06 -0.09 -0.30 -0.04 7.32 6.95 1taqA1 ASN 750 H -0.11 0.32 -0.17 -0.55 8.53 8.03 1taqA1 ASN 750 HA 0.32 0.14 0.54 -0.75 4.76 5.01 1taqA1 ASN 750 HB2 0.08 0.20 0.03 -0.04 2.88 3.15 1taqA1 ASN 750 HB3 0.03 -0.03 0.05 -0.04 2.79 2.80 1taqA1 ASN 750 HD21 0.06 -0.06 -0.03 -0.04 7.03 6.96 1taqA1 ASN 750 HD22 0.05 0.02 -0.11 -0.04 7.74 7.65 1taqA1 MET 751 H 0.10 0.34 -0.48 -0.55 8.47 7.87 1taqA1 MET 751 HA 0.09 0.02 0.73 -0.75 4.52 4.61 1taqA1 MET 751 HB2 0.04 0.03 -0.03 -0.04 2.15 2.15 1taqA1 MET 751 HB3 0.06 0.14 0.01 -0.04 2.03 2.19 1taqA1 MET 751 HG2 0.06 -0.12 -0.02 -0.04 2.63 2.51 1taqA1 MET 751 HG3 0.04 0.10 -0.08 -0.04 2.56 2.58 1taqA1 MET 751 HE3 0.01 -0.02 -0.42 -0.04 2.10 1.62 1taqA1 PRO 752 HA 0.12 0.00 0.50 -0.51 4.44 4.55 1taqA1 PRO 752 HB2 0.43 -0.05 0.09 -0.04 2.28 2.71 1taqA1 PRO 752 HB3 0.22 0.44 0.36 -0.04 2.02 3.00 1taqA1 PRO 752 HG2 0.46 0.09 0.25 -0.04 2.03 2.79 1taqA1 PRO 752 HG3 0.19 0.03 0.23 -0.04 2.03 2.44 1taqA1 PRO 752 HD2 0.14 0.06 0.08 -0.04 3.68 3.92 1taqA1 PRO 752 HD3 0.10 0.11 0.09 -0.04 3.65 3.91 1taqA1 VAL 753 H 0.26 0.43 -0.27 -0.55 8.24 8.11 1taqA1 VAL 753 HA 0.02 0.04 0.33 -0.75 4.13 3.77 1taqA1 VAL 753 HB 0.18 0.11 0.14 -0.04 2.12 2.51 1taqA1 VAL 753 HG13 0.04 -0.00 -0.09 -0.04 0.97 0.87 1taqA1 VAL 753 HG23 0.04 0.02 0.06 -0.04 0.95 1.02 1taqA1 GLN 754 H 0.12 0.38 -0.11 -0.55 8.47 8.32 1taqA1 GLN 754 HA 0.07 -0.02 0.49 -0.75 4.36 4.15 1taqA1 GLN 754 HB2 0.10 0.22 0.20 -0.04 2.15 2.63 1taqA1 GLN 754 HB3 0.09 -0.09 -0.02 -0.04 2.02 1.97 1taqA1 GLN 754 HG2 0.11 -0.10 0.04 -0.04 2.40 2.41 1taqA1 GLN 754 HG3 0.13 0.19 0.13 -0.04 2.39 2.80 1taqA1 GLN 754 HE21 0.10 -0.03 -0.01 -0.04 6.97 7.00 1taqA1 GLN 754 HE22 0.12 -0.03 -0.00 -0.04 7.69 7.74 1taqA1 GLY 755 H 0.09 0.70 -0.12 -0.55 8.43 8.55 1taqA1 GLY 755 HA2 0.08 0.23 0.48 -0.51 4.01 4.29 1taqA1 GLY 755 HA3 0.07 0.15 0.34 -0.51 4.01 4.06 1taqA1 THR 756 H 0.03 0.62 -0.19 -0.55 8.28 8.18 1taqA1 THR 756 HA -0.07 -0.07 0.47 -0.75 4.39 3.97 1taqA1 THR 756 HB -0.07 0.18 0.20 -0.04 4.32 4.59 1taqA1 THR 756 HG23 -0.25 -0.01 -0.04 -0.04 1.22 0.88 1taqA1 ALA 757 H -0.01 0.41 -0.23 -0.55 8.40 8.03 1taqA1 ALA 757 HA -0.09 0.02 0.39 -0.75 4.34 3.91 1taqA1 ALA 757 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 1taqA1 ALA 758 H 0.05 0.60 -0.25 -0.55 8.40 8.26 1taqA1 ALA 758 HA 0.08 -0.02 0.45 -0.75 4.34 4.09 1taqA1 ALA 758 HB3 0.09 0.07 -0.01 -0.04 1.41 1.52 1taqA1 ASP 759 H 0.09 0.67 0.00 -0.55 8.40 8.61 1taqA1 ASP 759 HA 0.14 -0.02 0.28 -0.75 4.63 4.28 1taqA1 ASP 759 HB2 0.16 0.06 0.17 -0.04 2.71 3.05 1taqA1 ASP 759 HB3 0.52 -0.03 -0.02 -0.04 2.70 3.13 1taqA1 LEU 760 H 0.06 0.48 -0.30 -0.55 8.37 8.06 1taqA1 LEU 760 HA 0.19 0.05 0.43 -0.75 4.35 4.27 1taqA1 LEU 760 HB2 -0.12 0.04 0.10 -0.04 1.64 1.62 1taqA1 LEU 760 HB3 -0.08 0.01 0.02 -0.04 1.64 1.55 1taqA1 LEU 760 HG -0.07 0.08 0.03 -0.04 1.64 1.64 1taqA1 LEU 760 HD13 -0.19 -0.03 -0.08 -0.04 0.93 0.58 1taqA1 LEU 760 HD23 0.07 0.00 -0.06 -0.04 0.89 0.86 1taqA1 MET 761 H 0.09 0.46 -0.16 -0.55 8.47 8.31 1taqA1 MET 761 HA 0.29 0.01 0.42 -0.75 4.52 4.48 1taqA1 MET 761 HB2 0.21 0.00 0.14 -0.04 2.15 2.46 1taqA1 MET 761 HB3 0.10 0.14 0.26 -0.04 2.03 2.49 1taqA1 MET 761 HG2 0.10 0.01 -0.07 -0.04 2.63 2.63 1taqA1 MET 761 HG3 0.05 -0.02 -0.19 -0.04 2.56 2.37 1taqA1 MET 761 HE3 0.04 -0.02 -0.27 -0.04 2.10 1.80 1taqA1 LYS 762 H 0.08 0.57 0.02 -0.55 8.42 8.53 1taqA1 LYS 762 HA 0.01 -0.03 0.28 -0.75 4.32 3.82 1taqA1 LYS 762 HB2 0.05 0.07 0.06 -0.04 1.87 2.01 1taqA1 LYS 762 HB3 0.01 -0.01 -0.05 -0.04 1.79 1.70 1taqA1 LYS 762 HG2 0.02 -0.07 0.00 -0.04 1.46 1.37 1taqA1 LYS 762 HG3 0.06 0.16 -0.06 -0.04 1.46 1.59 1taqA1 LYS 762 HD2 0.09 -0.03 -0.09 -0.04 1.69 1.62 1taqA1 LYS 762 HD3 0.05 -0.04 -0.07 -0.04 1.68 1.57 1taqA1 LYS 762 HE2 0.06 -0.14 -0.03 -0.04 2.99 2.84 1taqA1 LYS 762 HE3 0.09 0.07 0.03 -0.04 2.99 3.15 1taqA1 LEU 763 H 0.08 0.55 -0.22 -0.55 8.37 8.24 1taqA1 LEU 763 HA -0.01 0.06 0.45 -0.75 4.35 4.09 1taqA1 LEU 763 HB2 0.04 0.01 0.12 -0.04 1.64 1.78 1taqA1 LEU 763 HB3 0.12 0.08 0.11 -0.04 1.64 1.91 1taqA1 LEU 763 HG 0.09 0.01 -0.08 -0.04 1.64 1.61 1taqA1 LEU 763 HD13 -0.08 -0.02 0.03 -0.04 0.93 0.82 1taqA1 LEU 763 HD23 0.12 -0.02 -0.06 -0.04 0.89 0.89 1taqA1 ALA 764 H 0.12 0.51 -0.25 -0.55 8.40 8.23 1taqA1 ALA 764 HA 0.10 0.03 0.37 -0.75 4.34 4.09 1taqA1 ALA 764 HB3 0.16 0.02 0.15 -0.04 1.41 1.70 1taqA1 MET 765 H 0.05 0.66 -0.06 -0.55 8.47 8.57 1taqA1 MET 765 HA 0.03 -0.08 0.25 -0.75 4.52 3.96 1taqA1 MET 765 HB2 -0.02 0.24 0.15 -0.04 2.15 2.48 1taqA1 MET 765 HB3 -0.03 -0.07 -0.04 -0.04 2.03 1.85 1taqA1 MET 765 HG2 -0.04 -0.07 -0.05 -0.04 2.63 2.44 1taqA1 MET 765 HG3 0.01 0.10 -0.03 -0.04 2.56 2.60 1taqA1 MET 765 HE3 -0.18 -0.01 -0.13 -0.04 2.10 1.74 1taqA1 VAL 766 H 0.01 0.52 -0.26 -0.55 8.24 7.95 1taqA1 VAL 766 HA 0.01 -0.03 0.38 -0.75 4.13 3.73 1taqA1 VAL 766 HB -0.02 0.16 0.18 -0.04 2.12 2.41 1taqA1 VAL 766 HG13 -0.05 0.01 -0.08 -0.04 0.97 0.81 1taqA1 VAL 766 HG23 -0.07 0.03 -0.09 -0.04 0.95 0.79 1taqA1 LYS 767 H 0.05 0.55 -0.15 -0.55 8.42 8.31 1taqA1 LYS 767 HA 0.04 0.05 0.60 -0.75 4.32 4.25 1taqA1 LYS 767 HB2 0.06 0.11 0.17 -0.04 1.87 2.16 1taqA1 LYS 767 HB3 0.04 -0.11 -0.02 -0.04 1.79 1.67 1taqA1 LYS 767 HG2 0.04 -0.08 0.03 -0.04 1.46 1.41 1taqA1 LYS 767 HG3 0.05 0.13 0.04 -0.04 1.46 1.63 1taqA1 LYS 767 HD2 0.09 0.03 0.00 -0.04 1.69 1.77 1taqA1 LYS 767 HD3 0.07 -0.08 0.01 -0.04 1.68 1.64 1taqA1 LYS 767 HE2 0.09 -0.10 0.02 -0.04 2.99 2.96 1taqA1 LYS 767 HE3 0.11 -0.01 -0.00 -0.04 2.99 3.05 1taqA1 LEU 768 H 0.05 0.67 0.04 -0.55 8.37 8.59 1taqA1 LEU 768 HA 0.02 -0.03 0.37 -0.75 4.35 3.95 1taqA1 LEU 768 HB2 0.03 0.02 -0.01 -0.04 1.64 1.63 1taqA1 LEU 768 HB3 0.04 0.08 0.03 -0.04 1.64 1.75 1taqA1 LEU 768 HG 0.01 -0.03 -0.26 -0.04 1.64 1.32 1taqA1 LEU 768 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.76 1taqA1 LEU 768 HD23 -0.01 -0.00 -0.11 -0.04 0.89 0.73 1taqA1 PHE 769 H 0.16 0.70 -0.12 -0.55 8.34 8.54 1taqA1 PHE 769 HA -0.04 -0.09 0.25 -0.75 4.62 3.98 1taqA1 PHE 769 HB2 -0.04 0.06 0.10 -0.04 3.15 3.23 1taqA1 PHE 769 HB3 -0.03 0.15 0.08 -0.04 3.06 3.21 1taqA1 PHE 769 HD2 -0.05 0.01 -0.04 -0.04 7.28 7.16 1taqA1 PHE 769 HE2 -0.17 -0.01 -0.04 -0.04 7.38 7.12 1taqA1 PHE 769 HZ -0.71 0.00 -0.04 -0.04 7.32 6.54 1taqA1 PRO 770 HA -0.28 -0.01 0.36 -0.51 4.44 4.00 1taqA1 PRO 770 HB2 -0.03 0.07 0.05 -0.04 2.28 2.34 1taqA1 PRO 770 HB3 -0.03 -0.06 0.09 -0.04 2.02 1.98 1taqA1 PRO 770 HG2 0.05 0.08 0.10 -0.04 2.03 2.21 1taqA1 PRO 770 HG3 0.13 -0.04 0.07 -0.04 2.03 2.14 1taqA1 PRO 770 HD2 0.06 0.46 -0.48 -0.04 3.68 3.69 1taqA1 PRO 770 HD3 0.25 0.15 -0.02 -0.04 3.65 3.99 1taqA1 ARG 771 H -0.07 0.48 -0.25 -0.55 8.46 8.07 1taqA1 ARG 771 HA -0.09 0.05 0.64 -0.75 4.34 4.19 1taqA1 ARG 771 HB2 -0.04 0.16 0.10 -0.04 1.90 2.08 1taqA1 ARG 771 HB3 -0.04 -0.07 -0.03 -0.04 1.80 1.61 1taqA1 ARG 771 HG2 -0.02 -0.03 -0.00 -0.04 1.67 1.58 1taqA1 ARG 771 HG3 -0.04 -0.06 0.03 -0.04 1.67 1.57 1taqA1 ARG 771 HD2 -0.02 -0.04 -0.04 -0.04 3.22 3.08 1taqA1 ARG 771 HD3 -0.04 -0.05 -0.19 -0.04 3.22 2.89 1taqA1 LEU 772 H -0.15 0.56 -0.10 -0.55 8.37 8.13 1taqA1 LEU 772 HA -0.07 -0.01 0.50 -0.75 4.35 4.01 1taqA1 LEU 772 HB2 -0.14 0.16 -0.03 -0.04 1.64 1.59 1taqA1 LEU 772 HB3 -0.05 -0.01 -0.33 -0.04 1.64 1.21 1taqA1 LEU 772 HG -0.03 0.09 -0.17 -0.04 1.64 1.49 1taqA1 LEU 772 HD13 0.02 -0.01 -0.29 -0.04 0.93 0.61 1taqA1 LEU 772 HD23 -0.02 -0.02 -0.12 -0.04 0.89 0.69 1taqA1 GLU 773 H -0.29 0.37 -0.20 -0.55 8.60 7.93 1taqA1 GLU 773 HA -0.16 0.13 0.36 -0.75 4.29 3.87 1taqA1 GLU 773 HB2 -0.21 0.07 0.14 -0.04 2.09 2.05 1taqA1 GLU 773 HB3 -0.18 -0.04 0.02 -0.04 1.99 1.75 1taqA1 GLU 773 HG2 -0.72 0.16 0.06 -0.04 2.34 1.80 1taqA1 GLU 773 HG3 -0.48 -0.02 0.03 -0.04 2.34 1.83 1taqA1 GLU 774 H -0.12 0.26 -0.15 -0.55 8.60 8.04 1taqA1 GLU 774 HA -0.06 0.07 0.48 -0.75 4.29 4.02 1taqA1 GLU 774 HB2 -0.05 -0.05 0.07 -0.04 2.09 2.02 1taqA1 GLU 774 HB3 -0.06 -0.00 0.10 -0.04 1.99 1.99 1taqA1 GLU 774 HG2 -0.08 0.05 0.15 -0.04 2.34 2.42 1taqA1 GLU 774 HG3 -0.06 0.05 -0.03 -0.04 2.34 2.26 1taqA1 MET 775 H -0.08 0.28 -0.43 -0.55 8.47 7.70 1taqA1 MET 775 HA -0.07 0.04 0.57 -0.75 4.52 4.32 1taqA1 MET 775 HB2 -0.06 0.05 0.16 -0.04 2.15 2.26 1taqA1 MET 775 HB3 -0.07 -0.12 0.13 -0.04 2.03 1.93 1taqA1 MET 775 HG2 -0.05 0.03 0.01 -0.04 2.63 2.57 1taqA1 MET 775 HG3 -0.05 -0.01 -0.02 -0.04 2.56 2.44 1taqA1 MET 775 HE3 -0.04 0.01 -0.03 -0.04 2.10 1.99 1taqA1 GLY 776 H -0.06 0.35 -0.66 -0.55 8.43 7.52 1taqA1 GLY 776 HA2 -0.02 0.09 0.34 -0.51 4.01 3.90 1taqA1 GLY 776 HA3 -0.10 -0.07 0.36 -0.51 4.01 3.69 1taqA1 ALA 777 H -0.04 0.25 -0.35 -0.55 8.40 7.71 1taqA1 ALA 777 HA 0.15 0.10 0.90 -0.75 4.34 4.74 1taqA1 ALA 777 HB3 0.01 -0.03 0.08 -0.04 1.41 1.42 1taqA1 ARG 778 H 0.20 0.68 0.42 -0.55 8.46 9.20 1taqA1 ARG 778 HA 0.07 0.15 0.70 -0.75 4.34 4.50 1taqA1 ARG 778 HB2 0.07 0.07 -0.00 -0.04 1.90 2.00 1taqA1 ARG 778 HB3 0.11 0.10 -0.14 -0.04 1.80 1.83 1taqA1 ARG 778 HG2 0.34 0.02 -0.05 -0.04 1.67 1.94 1taqA1 ARG 778 HG3 0.07 -0.13 -0.08 -0.04 1.67 1.49 1taqA1 ARG 778 HD2 -0.38 -0.11 -0.08 -0.04 3.22 2.61 1taqA1 ARG 778 HD3 -0.10 0.12 -0.10 -0.04 3.22 3.10 1taqA1 MET 779 H 0.10 0.26 0.12 -0.55 8.47 8.40 1taqA1 MET 779 HA 0.01 0.05 0.86 -0.75 4.52 4.70 1taqA1 MET 779 HB2 0.11 -0.03 0.00 -0.04 2.15 2.19 1taqA1 MET 779 HB3 0.08 0.06 0.07 -0.04 2.03 2.20 1taqA1 MET 779 HG2 -0.04 0.03 -0.17 -0.04 2.63 2.41 1taqA1 MET 779 HG3 -0.00 -0.03 -0.07 -0.04 2.56 2.41 1taqA1 MET 779 HE3 0.15 0.02 -0.07 -0.04 2.10 2.15 1taqA1 LEU 780 H -0.04 0.55 0.36 -0.55 8.37 8.70 1taqA1 LEU 780 HA 0.02 0.29 0.98 -0.75 4.35 4.88 1taqA1 LEU 780 HB2 -0.12 -0.10 0.01 -0.04 1.64 1.39 1taqA1 LEU 780 HB3 -0.04 -0.01 -0.14 -0.04 1.64 1.40 1taqA1 LEU 780 HG -0.02 -0.09 -0.31 -0.04 1.64 1.18 1taqA1 LEU 780 HD13 -0.06 -0.03 -0.14 -0.04 0.93 0.66 1taqA1 LEU 780 HD23 -0.03 0.09 -0.29 -0.04 0.89 0.63 1taqA1 LEU 781 H -0.16 0.21 0.25 -0.55 8.37 8.12 1taqA1 LEU 781 HA 0.11 0.29 0.89 -0.75 4.35 4.89 1taqA1 LEU 781 HB2 -0.47 -0.07 -0.06 -0.04 1.64 1.00 1taqA1 LEU 781 HB3 -0.12 -0.07 -0.04 -0.04 1.64 1.36 1taqA1 LEU 781 HG -0.22 -0.04 -0.11 -0.04 1.64 1.23 1taqA1 LEU 781 HD13 0.11 0.03 -0.35 -0.04 0.93 0.68 1taqA1 LEU 781 HD23 -0.44 -0.01 -0.14 -0.04 0.89 0.26 1taqA1 GLN 782 H -0.00 0.26 -0.03 -0.55 8.47 8.15 1taqA1 GLN 782 HA -0.08 0.30 0.84 -0.75 4.36 4.67 1taqA1 GLN 782 HB2 -0.22 0.03 -0.24 -0.04 2.15 1.68 1taqA1 GLN 782 HB3 -0.23 -0.06 0.06 -0.04 2.02 1.76 1taqA1 GLN 782 HG2 -0.05 0.06 -0.01 -0.04 2.40 2.36 1taqA1 GLN 782 HG3 -0.09 -0.03 -0.09 -0.04 2.39 2.13 1taqA1 GLN 782 HE21 0.06 0.25 -0.40 -0.04 6.97 6.83 1taqA1 GLN 782 HE22 0.03 0.24 -0.20 -0.04 7.69 7.72 1taqA1 VAL 783 H 0.02 0.41 0.10 -0.55 8.24 8.22 1taqA1 VAL 783 HA -0.05 0.17 0.73 -0.75 4.13 4.23 1taqA1 VAL 783 HB -0.32 0.03 -0.11 -0.04 2.12 1.67 1taqA1 VAL 783 HG13 0.07 -0.01 -0.25 -0.04 0.97 0.73 1taqA1 VAL 783 HG23 0.32 -0.01 -0.14 -0.04 0.95 1.08 1taqA1 HIS 784 H -0.26 0.13 0.09 -0.55 8.41 7.83 1taqA1 HIS 784 HA 0.08 0.04 0.36 -0.75 4.63 4.36 1taqA1 HIS 784 HB2 0.08 0.01 0.13 -0.04 3.26 3.45 1taqA1 HIS 784 HB3 0.07 0.01 0.17 -0.04 3.20 3.40 1taqA1 HIS 784 HD2 0.07 0.01 -0.15 -0.04 6.97 6.85 1taqA1 HIS 784 HE1 0.04 0.12 0.08 -0.04 7.75 7.94 1taqA1 ASP 785 H 0.24 0.09 0.23 -0.55 8.40 8.41 1taqA1 ASP 785 HA 0.18 0.26 0.83 -0.75 4.63 5.14 1taqA1 ASP 785 HB2 0.16 -0.02 0.19 -0.04 2.71 3.00 1taqA1 ASP 785 HB3 0.25 -0.01 0.30 -0.04 2.70 3.20 1taqA1 GLU 786 H 0.12 0.69 -0.04 -0.55 8.60 8.82 1taqA1 GLU 786 HA 0.03 0.28 1.08 -0.75 4.29 4.92 1taqA1 GLU 786 HB2 0.14 -0.10 -0.07 -0.04 2.09 2.03 1taqA1 GLU 786 HB3 0.19 0.10 0.09 -0.04 1.99 2.33 1taqA1 GLU 786 HG2 0.10 -0.08 -0.41 -0.04 2.34 1.91 1taqA1 GLU 786 HG3 0.08 0.14 -0.12 -0.04 2.34 2.40 1taqA1 LEU 787 H -0.04 0.73 0.36 -0.55 8.37 8.88 1taqA1 LEU 787 HA -0.08 0.22 0.98 -0.75 4.35 4.71 1taqA1 LEU 787 HB2 -0.06 -0.01 -0.09 -0.04 1.64 1.44 1taqA1 LEU 787 HB3 -0.08 -0.04 0.12 -0.04 1.64 1.60 1taqA1 LEU 787 HG -0.06 -0.00 -0.21 -0.04 1.64 1.32 1taqA1 LEU 787 HD13 -0.08 0.07 0.03 -0.04 0.93 0.90 1taqA1 LEU 787 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.71 1taqA1 VAL 788 H -0.18 0.76 0.25 -0.55 8.24 8.52 1taqA1 VAL 788 HA -0.17 0.21 1.03 -0.75 4.13 4.45 1taqA1 VAL 788 HB -0.42 -0.21 0.16 -0.04 2.12 1.60 1taqA1 VAL 788 HG13 -0.45 0.03 -0.15 -0.04 0.97 0.36 1taqA1 VAL 788 HG23 -0.82 -0.00 -0.22 -0.04 0.95 -0.13 1taqA1 LEU 789 H -0.07 0.80 0.37 -0.55 8.37 8.93 1taqA1 LEU 789 HA -0.02 0.11 1.10 -0.75 4.35 4.79 1taqA1 LEU 789 HB2 0.00 -0.09 0.03 -0.04 1.64 1.54 1taqA1 LEU 789 HB3 0.02 0.13 0.14 -0.04 1.64 1.88 1taqA1 LEU 789 HG -0.04 0.07 -0.09 -0.04 1.64 1.54 1taqA1 LEU 789 HD13 -0.01 -0.02 -0.12 -0.04 0.93 0.74 1taqA1 LEU 789 HD23 -0.02 0.00 -0.19 -0.04 0.89 0.64 1taqA1 GLU 790 H 0.09 0.78 0.35 -0.55 8.60 9.28 1taqA1 GLU 790 HA 0.15 0.19 0.97 -0.75 4.29 4.84 1taqA1 GLU 790 HB2 0.03 0.01 -0.15 -0.04 2.09 1.94 1taqA1 GLU 790 HB3 0.10 0.03 0.06 -0.04 1.99 2.14 1taqA1 GLU 790 HG2 0.49 -0.01 -0.13 -0.04 2.34 2.65 1taqA1 GLU 790 HG3 0.18 -0.02 -0.01 -0.04 2.34 2.45 1taqA1 ALA 791 H 0.22 0.65 0.36 -0.55 8.40 9.08 1taqA1 ALA 791 HA 0.03 0.28 0.80 -0.75 4.34 4.70 1taqA1 ALA 791 HB3 -0.04 0.00 -0.08 -0.04 1.41 1.26 1taqA1 PRO 792 HA -1.09 0.08 0.52 -0.51 4.44 3.43 1taqA1 PRO 792 HB2 -0.41 -0.03 -0.08 -0.04 2.28 1.73 1taqA1 PRO 792 HB3 -0.62 0.03 0.05 -0.04 2.02 1.44 1taqA1 PRO 792 HG2 -0.57 0.14 0.04 -0.04 2.03 1.61 1taqA1 PRO 792 HG3 -1.73 0.06 0.07 -0.04 2.03 0.39 1taqA1 PRO 792 HD2 -0.38 0.12 0.06 -0.04 3.68 3.44 1taqA1 PRO 792 HD3 -0.73 0.29 0.13 -0.04 3.65 3.30 1taqA1 LYS 793 H -0.23 0.66 0.43 -0.55 8.42 8.72 1taqA1 LYS 793 HA -0.06 -0.00 0.32 -0.75 4.32 3.83 1taqA1 LYS 793 HB2 -0.03 0.19 0.03 -0.04 1.87 2.03 1taqA1 LYS 793 HB3 -0.07 -0.05 0.17 -0.04 1.79 1.81 1taqA1 LYS 793 HG2 -0.03 -0.05 -0.15 -0.04 1.46 1.19 1taqA1 LYS 793 HG3 -0.01 -0.01 -0.02 -0.04 1.46 1.38 1taqA1 LYS 793 HD2 0.01 0.06 0.00 -0.04 1.69 1.72 1taqA1 LYS 793 HD3 -0.02 -0.00 0.01 -0.04 1.68 1.63 1taqA1 LYS 793 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.86 1taqA1 LYS 793 HE3 0.00 -0.01 -0.02 -0.04 2.99 2.92 1taqA1 GLU 794 H -0.13 0.17 -0.19 -0.55 8.60 7.89 1taqA1 GLU 794 HA -0.06 0.06 0.46 -0.75 4.29 3.99 1taqA1 GLU 794 HB2 -0.10 0.04 0.12 -0.04 2.09 2.11 1taqA1 GLU 794 HB3 -0.07 0.02 0.18 -0.04 1.99 2.08 1taqA1 GLU 794 HG2 -0.05 0.00 -0.01 -0.04 2.34 2.25 1taqA1 GLU 794 HG3 -0.06 -0.03 0.04 -0.04 2.34 2.25 1taqA1 ARG 795 H -0.10 0.23 -0.53 -0.55 8.46 7.51 1taqA1 ARG 795 HA -0.09 0.05 0.58 -0.75 4.34 4.12 1taqA1 ARG 795 HB2 -0.22 0.21 -0.05 -0.04 1.90 1.80 1taqA1 ARG 795 HB3 -0.14 -0.02 -0.00 -0.04 1.80 1.60 1taqA1 ARG 795 HG2 -0.15 0.16 -0.34 -0.04 1.67 1.30 1taqA1 ARG 795 HG3 -0.22 0.02 -0.06 -0.04 1.67 1.36 1taqA1 ARG 795 HD2 -0.11 0.18 0.12 -0.04 3.22 3.37 1taqA1 ARG 795 HD3 -0.09 -0.12 0.16 -0.04 3.22 3.12 1taqA1 ALA 796 H -0.09 0.42 0.06 -0.55 8.40 8.24 1taqA1 ALA 796 HA -0.04 0.04 0.24 -0.75 4.34 3.83 1taqA1 ALA 796 HB3 -0.02 0.03 0.02 -0.04 1.41 1.41 1taqA1 GLU 797 H -0.03 0.15 -0.18 -0.55 8.60 8.00 1taqA1 GLU 797 HA -0.01 0.06 0.32 -0.75 4.29 3.91 1taqA1 GLU 797 HB2 -0.02 0.01 0.07 -0.04 2.09 2.11 1taqA1 GLU 797 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.92 1taqA1 GLU 797 HG2 -0.01 0.02 -0.04 -0.04 2.34 2.26 1taqA1 GLU 797 HG3 -0.01 0.00 -0.02 -0.04 2.34 2.27 1taqA1 ALA 798 H -0.04 0.18 -0.17 -0.55 8.40 7.83 1taqA1 ALA 798 HA -0.02 0.03 0.48 -0.75 4.34 4.08 1taqA1 ALA 798 HB3 -0.04 0.04 0.09 -0.04 1.41 1.46 1taqA1 VAL 799 H -0.04 0.64 -0.09 -0.55 8.24 8.21 1taqA1 VAL 799 HA -0.03 0.04 0.36 -0.75 4.13 3.74 1taqA1 VAL 799 HB -0.03 0.05 -0.01 -0.04 2.12 2.09 1taqA1 VAL 799 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.70 1taqA1 VAL 799 HG23 -0.06 0.02 -0.05 -0.04 0.95 0.83 1taqA1 ALA 800 H -0.02 0.64 -0.20 -0.55 8.40 8.27 1taqA1 ALA 800 HA -0.01 0.01 0.35 -0.75 4.34 3.94 1taqA1 ALA 800 HB3 -0.01 0.03 0.03 -0.04 1.41 1.42 1taqA1 ARG 801 H -0.01 0.46 -0.17 -0.55 8.46 8.18 1taqA1 ARG 801 HA -0.01 0.01 0.41 -0.75 4.34 4.00 1taqA1 ARG 801 HB2 -0.01 0.10 0.12 -0.04 1.90 2.06 1taqA1 ARG 801 HB3 -0.01 -0.05 0.05 -0.04 1.80 1.75 1taqA1 ARG 801 HG2 -0.01 -0.06 0.02 -0.04 1.67 1.59 1taqA1 ARG 801 HG3 -0.01 0.31 0.13 -0.04 1.67 2.06 1taqA1 ARG 801 HD2 -0.01 0.00 -0.00 -0.04 3.22 3.17 1taqA1 ARG 801 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 1taqA1 LEU 802 H -0.02 0.55 -0.15 -0.55 8.37 8.21 1taqA1 LEU 802 HA -0.01 0.01 0.45 -0.75 4.35 4.05 1taqA1 LEU 802 HB2 -0.02 -0.02 0.07 -0.04 1.64 1.64 1taqA1 LEU 802 HB3 -0.02 0.10 0.15 -0.04 1.64 1.83 1taqA1 LEU 802 HG -0.01 -0.01 -0.46 -0.04 1.64 1.11 1taqA1 LEU 802 HD13 -0.01 -0.01 0.00 -0.04 0.93 0.86 1taqA1 LEU 802 HD23 -0.03 -0.00 -0.14 -0.04 0.89 0.68 1taqA1 ALA 803 H -0.02 0.62 -0.16 -0.55 8.40 8.29 1taqA1 ALA 803 HA -0.01 0.02 0.34 -0.75 4.34 3.93 1taqA1 ALA 803 HB3 -0.03 0.02 0.01 -0.04 1.41 1.37 1taqA1 LYS 804 H -0.01 0.46 -0.23 -0.55 8.42 8.08 1taqA1 LYS 804 HA -0.03 -0.01 0.42 -0.75 4.32 3.94 1taqA1 LYS 804 HB2 -0.01 0.11 0.11 -0.04 1.87 2.04 1taqA1 LYS 804 HB3 -0.00 0.07 0.12 -0.04 1.79 1.93 1taqA1 LYS 804 HG2 0.01 -0.04 -0.02 -0.04 1.46 1.36 1taqA1 LYS 804 HG3 -0.01 0.02 0.06 -0.04 1.46 1.49 1taqA1 LYS 804 HD2 -0.00 -0.01 -0.00 -0.04 1.69 1.63 1taqA1 LYS 804 HD3 0.00 -0.01 0.01 -0.04 1.68 1.64 1taqA1 LYS 804 HE2 0.01 0.20 0.13 -0.04 2.99 3.29 1taqA1 LYS 804 HE3 0.01 -0.06 0.05 -0.04 2.99 2.95 1taqA1 GLU 805 H 0.00 0.47 -0.19 -0.55 8.60 8.34 1taqA1 GLU 805 HA 0.02 -0.02 0.33 -0.75 4.29 3.86 1taqA1 GLU 805 HB2 0.01 0.02 0.15 -0.04 2.09 2.22 1taqA1 GLU 805 HB3 0.01 0.15 0.21 -0.04 1.99 2.32 1taqA1 GLU 805 HG2 0.02 -0.03 -0.16 -0.04 2.34 2.13 1taqA1 GLU 805 HG3 0.01 -0.06 -0.01 -0.04 2.34 2.24 1taqA1 VAL 806 H 0.01 0.54 -0.05 -0.55 8.24 8.20 1taqA1 VAL 806 HA 0.04 0.02 0.19 -0.75 4.13 3.62 1taqA1 VAL 806 HB 0.02 0.02 0.04 -0.04 2.12 2.15 1taqA1 VAL 806 HG13 0.04 -0.01 -0.17 -0.04 0.97 0.79 1taqA1 VAL 806 HG23 0.01 0.09 -0.01 -0.04 0.95 0.99 1taqA1 MET 807 H 0.02 0.59 -0.31 -0.55 8.47 8.21 1taqA1 MET 807 HA 0.14 0.01 0.38 -0.75 4.52 4.28 1taqA1 MET 807 HB2 -0.07 0.05 0.13 -0.04 2.15 2.22 1taqA1 MET 807 HB3 -0.24 -0.10 -0.08 -0.04 2.03 1.57 1taqA1 MET 807 HG2 -0.05 -0.06 -0.05 -0.04 2.63 2.43 1taqA1 MET 807 HG3 -0.04 0.15 0.03 -0.04 2.56 2.66 1taqA1 MET 807 HE3 -0.46 -0.00 -0.14 -0.04 2.10 1.46 1taqA1 GLU 808 H 0.06 0.76 -0.00 -0.55 8.60 8.88 1taqA1 GLU 808 HA 0.18 -0.09 0.34 -0.75 4.29 3.97 1taqA1 GLU 808 HB2 0.05 0.14 0.20 -0.04 2.09 2.44 1taqA1 GLU 808 HB3 0.06 -0.05 0.08 -0.04 1.99 2.03 1taqA1 GLU 808 HG2 0.09 -0.05 -0.13 -0.04 2.34 2.21 1taqA1 GLU 808 HG3 0.05 0.04 0.08 -0.04 2.34 2.46 1taqA1 GLY 809 H 0.07 0.72 -0.16 -0.55 8.43 8.52 1taqA1 GLY 809 HA2 0.05 0.06 0.57 -0.51 4.01 4.19 1taqA1 GLY 809 HA3 0.05 -0.07 0.27 -0.51 4.01 3.75 1taqA1 VAL 810 H 0.13 0.39 -0.51 -0.55 8.24 7.71 1taqA1 VAL 810 HA 0.13 0.04 0.35 -0.75 4.13 3.89 1taqA1 VAL 810 HB 0.17 0.06 0.15 -0.04 2.12 2.46 1taqA1 VAL 810 HG13 0.16 0.05 0.06 -0.04 0.97 1.20 1taqA1 VAL 810 HG23 0.19 0.01 -0.14 -0.04 0.95 0.96 1taqA1 TYR 811 H 0.16 0.27 -0.15 -0.55 8.29 8.02 1taqA1 TYR 811 HA 0.10 0.16 0.54 -0.75 4.56 4.60 1taqA1 TYR 811 HB2 0.24 0.05 -0.27 -0.04 3.06 3.04 1taqA1 TYR 811 HB3 0.11 -0.09 -0.07 -0.04 2.98 2.89 1taqA1 TYR 811 HD2 0.06 0.02 -0.11 -0.04 7.15 7.08 1taqA1 TYR 811 HE2 0.00 -0.04 -0.02 -0.04 6.85 6.76 1taqA1 PRO 812 HA -0.07 0.06 0.55 -0.51 4.44 4.47 1taqA1 PRO 812 HB2 -0.14 0.00 -0.01 -0.04 2.28 2.09 1taqA1 PRO 812 HB3 -0.12 0.02 0.06 -0.04 2.02 1.94 1taqA1 PRO 812 HG2 -0.72 -0.00 0.14 -0.04 2.03 1.41 1taqA1 PRO 812 HG3 -0.33 0.02 0.06 -0.04 2.03 1.74 1taqA1 PRO 812 HD2 -0.93 0.12 0.20 -0.04 3.68 3.04 1taqA1 PRO 812 HD3 -0.22 0.19 0.03 -0.04 3.65 3.62 1taqA1 LEU 813 H -0.01 0.27 0.24 -0.55 8.37 8.32 1taqA1 LEU 813 HA -0.01 0.16 0.86 -0.75 4.35 4.61 1taqA1 LEU 813 HB2 -0.04 0.19 0.04 -0.04 1.64 1.79 1taqA1 LEU 813 HB3 -0.08 -0.16 0.14 -0.04 1.64 1.49 1taqA1 LEU 813 HG -0.03 0.20 -0.23 -0.04 1.64 1.54 1taqA1 LEU 813 HD13 -0.16 -0.00 -0.08 -0.04 0.93 0.65 1taqA1 LEU 813 HD23 -0.42 0.01 -0.13 -0.04 0.89 0.31 1taqA1 ALA 814 H 0.64 0.11 0.14 -0.55 8.40 8.75 1taqA1 ALA 814 HA 0.08 0.07 0.27 -0.75 4.34 4.01 1taqA1 ALA 814 HB3 0.03 -0.01 0.06 -0.04 1.41 1.45 1taqA1 VAL 815 H 0.06 0.12 -0.41 -0.55 8.24 7.46 1taqA1 VAL 815 HA 0.07 0.19 0.79 -0.75 4.13 4.42 1taqA1 VAL 815 HB 0.11 0.05 0.04 -0.04 2.12 2.28 1taqA1 VAL 815 HG13 0.19 -0.02 -0.18 -0.04 0.97 0.91 1taqA1 VAL 815 HG23 -0.08 0.00 -0.03 -0.04 0.95 0.80 1taqA1 PRO 816 HA 0.01 0.13 0.59 -0.51 4.44 4.66 1taqA1 PRO 816 HB2 0.03 0.04 0.00 -0.04 2.28 2.31 1taqA1 PRO 816 HB3 0.03 0.01 0.11 -0.04 2.02 2.13 1taqA1 PRO 816 HG2 0.06 -0.03 -0.02 -0.04 2.03 2.01 1taqA1 PRO 816 HG3 0.07 0.11 0.10 -0.04 2.03 2.26 1taqA1 PRO 816 HD2 0.11 0.00 -0.08 -0.04 3.68 3.67 1taqA1 PRO 816 HD3 0.06 0.11 0.08 -0.04 3.65 3.86 1taqA1 LEU 817 H 0.02 0.29 0.21 -0.55 8.37 8.34 1taqA1 LEU 817 HA -0.06 0.05 0.69 -0.75 4.35 4.27 1taqA1 LEU 817 HB2 0.01 0.10 0.19 -0.04 1.64 1.91 1taqA1 LEU 817 HB3 0.10 -0.02 0.12 -0.04 1.64 1.80 1taqA1 LEU 817 HG -0.19 -0.09 0.01 -0.04 1.64 1.33 1taqA1 LEU 817 HD13 -0.17 -0.02 -0.03 -0.04 0.93 0.68 1taqA1 LEU 817 HD23 -0.01 0.06 0.08 -0.04 0.89 0.99 1taqA1 GLU 818 H 0.03 0.21 0.14 -0.55 8.60 8.44 1taqA1 GLU 818 HA 0.06 0.23 1.01 -0.75 4.29 4.83 1taqA1 GLU 818 HB2 0.03 0.02 -0.03 -0.04 2.09 2.07 1taqA1 GLU 818 HB3 0.05 -0.10 0.00 -0.04 1.99 1.90 1taqA1 GLU 818 HG2 0.04 0.08 0.05 -0.04 2.34 2.47 1taqA1 GLU 818 HG3 0.04 -0.01 -0.03 -0.04 2.34 2.30 1taqA1 VAL 819 H 0.04 0.25 0.11 -0.55 8.24 8.09 1taqA1 VAL 819 HA 0.00 0.31 1.02 -0.75 4.13 4.70 1taqA1 VAL 819 HB -0.01 -0.00 0.13 -0.04 2.12 2.19 1taqA1 VAL 819 HG13 -0.10 -0.02 -0.21 -0.04 0.97 0.60 1taqA1 VAL 819 HG23 -0.18 -0.00 -0.27 -0.04 0.95 0.45 1taqA1 GLU 820 H 0.02 0.50 0.34 -0.55 8.60 8.91 1taqA1 GLU 820 HA 0.02 0.05 0.73 -0.75 4.29 4.34 1taqA1 GLU 820 HB2 0.03 -0.08 0.12 -0.04 2.09 2.12 1taqA1 GLU 820 HB3 0.03 -0.04 0.17 -0.04 1.99 2.11 1taqA1 GLU 820 HG2 0.02 0.18 -0.10 -0.04 2.34 2.40 1taqA1 GLU 820 HG3 0.02 -0.02 0.07 -0.04 2.34 2.37 1taqA1 VAL 821 H 0.01 0.14 0.24 -0.55 8.24 8.08 1taqA1 VAL 821 HA 0.00 0.33 1.18 -0.75 4.13 4.89 1taqA1 VAL 821 HB -0.01 0.03 0.07 -0.04 2.12 2.17 1taqA1 VAL 821 HG13 -0.01 0.00 -0.17 -0.04 0.97 0.75 1taqA1 VAL 821 HG23 0.00 -0.02 -0.21 -0.04 0.95 0.68 1taqA1 GLY 822 H 0.02 0.54 0.34 -0.55 8.43 8.79 1taqA1 GLY 822 HA2 0.02 0.05 0.78 -0.51 4.01 4.36 1taqA1 GLY 822 HA3 0.04 0.23 0.41 -0.51 4.01 4.18 1taqA1 ILE 823 H 0.03 0.28 0.24 -0.55 8.25 8.25 1taqA1 ILE 823 HA 0.04 0.39 0.99 -0.75 4.18 4.84 1taqA1 ILE 823 HB 0.02 -0.03 0.01 -0.04 1.89 1.84 1taqA1 ILE 823 HG12 0.01 0.09 -0.16 -0.04 1.49 1.39 1taqA1 ILE 823 HG13 0.01 -0.09 -0.56 -0.04 1.21 0.53 1taqA1 ILE 823 HG23 0.02 -0.01 -0.08 -0.04 0.93 0.81 1taqA1 ILE 823 HD13 0.00 -0.02 -0.20 -0.04 0.88 0.61 1taqA1 GLY 824 H 0.05 0.49 0.32 -0.55 8.43 8.74 1taqA1 GLY 824 HA2 0.04 0.05 0.36 -0.51 4.01 3.94 1taqA1 GLY 824 HA3 0.05 0.02 0.53 -0.51 4.01 4.11 1taqA1 GLU 825 H 0.05 0.14 0.23 -0.55 8.60 8.47 1taqA1 GLU 825 HA 0.07 0.15 0.74 -0.75 4.29 4.49 1taqA1 GLU 825 HB2 0.04 -0.03 0.17 -0.04 2.09 2.22 1taqA1 GLU 825 HB3 0.04 0.06 0.12 -0.04 1.99 2.17 1taqA1 GLU 825 HG2 0.05 0.17 0.09 -0.04 2.34 2.61 1taqA1 GLU 825 HG3 0.04 -0.11 0.06 -0.04 2.34 2.30 1taqA1 ASP 826 H 0.06 0.03 0.08 -0.55 8.40 8.03 1taqA1 ASP 826 HA 0.11 0.34 1.04 -0.75 4.63 5.37 1taqA1 ASP 826 HB2 0.05 0.30 0.15 -0.04 2.71 3.17 1taqA1 ASP 826 HB3 0.01 0.02 -0.02 -0.04 2.70 2.68 1taqA1 TRP 827 H 0.34 0.80 0.21 -0.55 7.97 8.78 1taqA1 TRP 827 HA 0.01 -0.00 0.23 -0.75 4.62 4.10 1taqA1 TRP 827 HB2 0.05 0.04 0.09 -0.04 3.23 3.37 1taqA1 TRP 827 HB3 0.02 0.26 0.12 -0.04 3.23 3.59 1taqA1 TRP 827 HD1 -0.02 -0.07 -0.07 -0.04 7.22 7.02 1taqA1 TRP 827 HE1 -0.03 -0.04 -0.18 -0.04 10.20 9.91 1taqA1 TRP 827 HE3 -0.64 0.05 0.01 -0.04 7.59 6.97 1taqA1 TRP 827 HZ2 -0.06 -0.04 -0.15 -0.04 7.44 7.14 1taqA1 TRP 827 HZ3 -0.85 0.00 -0.08 -0.04 7.13 6.16 1taqA1 TRP 827 HH2 -0.19 -0.02 -0.14 -0.04 7.19 6.81 1taqA1 LEU 828 H 0.09 0.17 -0.45 -0.55 8.37 7.63 1taqA1 LEU 828 HA -0.12 0.16 0.31 -0.75 4.35 3.94 1taqA1 LEU 828 HB2 -0.10 0.04 -0.11 -0.04 1.64 1.42 1taqA1 LEU 828 HB3 -0.04 -0.04 -0.08 -0.04 1.64 1.44 1taqA1 LEU 828 HG -0.04 -0.00 -0.06 -0.04 1.64 1.50 1taqA1 LEU 828 HD13 -0.12 0.02 0.05 -0.04 0.93 0.83 1taqA1 LEU 828 HD23 -0.04 0.05 -0.09 -0.04 0.89 0.77 1taqA1 SER 829 H 0.07 0.43 -0.38 -0.55 8.46 8.03 1taqA1 SER 829 HA 0.02 0.09 0.55 -0.75 4.49 4.40 1taqA1 SER 829 HB2 0.06 0.00 0.20 -0.04 3.95 4.17 1taqA1 SER 829 HB3 0.04 0.07 0.14 -0.04 3.93 4.13 1taqA1 ALA 830 H 0.11 0.24 -0.20 -0.55 8.40 8.00 1taqA1 ALA 830 HA 0.06 0.00 0.14 -0.75 4.34 3.79 1taqA1 ALA 830 HB3 0.13 0.04 -0.25 -0.04 1.41 1.29 1taqA1 LYS 831 H 0.08 -0.00 -1.26 -0.55 8.42 6.68 1taqA1 LYS 831 HA -0.03 0.01 0.20 -0.75 4.32 3.75 1taqA1 LYS 831 HB2 0.02 0.15 -0.38 -0.04 1.87 1.62 1taqA1 LYS 831 HB3 0.01 -0.12 0.12 -0.04 1.79 1.76 1taqA1 LYS 831 HG2 -0.02 0.23 0.04 -0.04 1.46 1.67 1taqA1 LYS 831 HG3 -0.01 -0.08 -0.02 -0.04 1.46 1.31 1taqA1 LYS 831 HD2 -0.06 -0.02 -0.10 -0.04 1.69 1.47 1taqA1 LYS 831 HD3 -0.06 -0.04 -0.01 -0.04 1.68 1.53 1taqA1 LYS 831 HE2 -0.02 0.01 -0.07 -0.04 2.99 2.87 1taqA1 LYS 831 HE3 -0.05 -0.09 -0.07 -0.04 2.99 2.74 1taqA1 GLU 832 H 0.05 0.43 0.07 -0.55 8.60 8.61 1taqA1 GLU 832 HA 0.12 0.22 0.60 -0.75 4.29 4.47 1taqA1 GLU 832 HB2 0.04 0.02 -0.05 -0.04 2.09 2.06 1taqA1 GLU 832 HB3 0.05 -0.03 -0.08 -0.04 1.99 1.90 1taqA1 GLU 832 HG2 -0.00 -0.03 -0.25 -0.04 2.34 2.01 1taqA1 GLU 832 HG3 0.00 -0.02 -0.11 -0.04 2.34 2.17