============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 86 rings ring int. center anis. iso. TYR 24 0.840 0.875 73.742 114.182 -99.200 -91.000 HIS 46 0.900 9.854 71.865 118.445 -99.200 -91.000 PHE 75 1.000 -3.973 68.275 112.255 -99.200 -91.000 TYR 115 0.840 -0.061 80.747 120.351 -99.200 -91.000 TRP 116 1.040 -2.949 77.102 118.563 -99.200 -91.000 TRP6 116 1.020 -2.123 77.772 116.460 -99.200 -91.000 PHE 124 1.000 -7.197 85.904 106.056 -99.200 -91.000 PHE 126 1.000 -17.646 86.313 112.391 -99.200 -91.000 TYR 137 0.840 -20.386 78.241 113.322 -99.200 -91.000 PHE 142 1.000 -24.134 77.383 103.612 -99.200 -91.000 HIS 152 0.900 -11.259 66.284 102.277 -99.200 -91.000 TYR 157 0.840 2.676 58.468 98.906 -99.200 -91.000 TYR 159 0.840 7.230 65.666 91.705 -99.200 -91.000 PHE 165 1.000 10.021 63.868 100.927 -99.200 -91.000 TRP 167 1.040 16.115 65.846 92.698 -99.200 -91.000 TRP6 167 1.020 14.261 67.228 92.172 -99.200 -91.000 PHE 168 1.000 10.943 66.524 96.265 -99.200 -91.000 TYR 185 0.840 12.841 89.083 90.129 -99.200 -91.000 TYR 190 0.840 15.140 83.730 99.582 -99.200 -91.000 PHE 192 1.000 7.121 75.855 97.320 -99.200 -91.000 TYR 193 0.840 11.726 76.695 95.070 -99.200 -91.000 TYR 206 0.840 8.302 60.768 111.113 -99.200 -91.000 TYR 210 0.840 9.140 55.811 113.506 -99.200 -91.000 PHE 247 1.000 5.845 45.395 97.707 -99.200 -91.000 TRP 248 1.040 10.361 45.987 104.416 -99.200 -91.000 TRP6 248 1.020 11.396 44.145 105.467 -99.200 -91.000 PHE 253 1.000 9.866 57.880 99.378 -99.200 -91.000 TRP 255 1.040 3.100 54.231 107.823 -99.200 -91.000 TRP6 255 1.020 0.813 54.809 107.745 -99.200 -91.000 HIS 262 0.900 -2.632 61.227 107.717 -99.200 -91.000 TYR 266 0.840 -9.311 68.537 107.655 -99.200 -91.000 TYR 278 0.840 1.993 54.435 94.236 -99.200 -91.000 TYR 280 0.840 3.348 44.216 88.495 -99.200 -91.000 PHE 282 1.000 9.760 50.741 93.421 -99.200 -91.000 PHE 283 1.000 4.418 41.595 93.915 -99.200 -91.000 PHE 298 1.000 -1.952 38.643 102.360 -99.200 -91.000 TRP 305 1.040 -5.153 47.295 102.941 -99.200 -91.000 TRP6 305 1.020 -3.692 48.021 101.236 -99.200 -91.000 PHE 315 1.000 -15.087 64.295 112.409 -99.200 -91.000 TYR 322 0.840 -24.819 68.340 110.750 -99.200 -91.000 PHE 323 1.000 -18.794 65.932 108.354 -99.200 -91.000 TYR 340 0.840 -1.167 54.795 75.121 -99.200 -91.000 TYR 350 0.840 -6.064 39.272 89.978 -99.200 -91.000 HIS 367 0.900 -12.044 54.875 97.457 -99.200 -91.000 PHE 378 1.000 -9.768 43.011 90.361 -99.200 -91.000 PHE 396 1.000 -14.712 54.960 93.459 -99.200 -91.000 PHE 397 1.000 -19.386 50.220 88.163 -99.200 -91.000 TYR 418 0.840 -10.881 57.289 87.626 -99.200 -91.000 PHE 429 1.000 -1.637 58.848 91.687 -99.200 -91.000 PHE 433 1.000 -4.866 71.267 97.712 -99.200 -91.000 TYR 449 0.840 -33.834 78.581 102.508 -99.200 -91.000 PHE 459 1.000 -35.640 75.078 112.888 -99.200 -91.000 TYR 461 0.840 -32.660 79.568 111.105 -99.200 -91.000 PHE 463 1.000 -30.349 81.616 107.438 -99.200 -91.000 PHE 472 1.000 -51.776 77.055 87.432 -99.200 -91.000 HIS 486 0.900 -29.958 83.196 97.868 -99.200 -91.000 TYR 500 0.840 -7.483 86.225 100.853 -99.200 -91.000 PHE 519 1.000 10.958 71.269 94.613 -99.200 -91.000 TYR 532 0.840 -5.729 68.667 85.131 -99.200 -91.000 PHE 534 1.000 -11.168 70.663 88.365 -99.200 -91.000 TYR 560 0.840 -55.579 67.403 98.231 -99.200 -91.000 PHE 573 1.000 -47.051 66.023 105.353 -99.200 -91.000 TYR 576 0.840 -53.392 70.949 105.797 -99.200 -91.000 HIS 580 0.900 -48.124 62.424 105.577 -99.200 -91.000 TYR 589 0.840 -33.338 58.263 92.568 -99.200 -91.000 TYR 599 0.840 -41.019 65.885 88.202 -99.200 -91.000 TRP 606 1.040 -32.901 72.213 86.865 -99.200 -91.000 TRP6 606 1.020 -34.843 72.824 88.051 -99.200 -91.000 TYR 607 0.840 -25.223 70.559 93.622 -99.200 -91.000 HIS 614 0.900 -21.112 79.706 90.666 -99.200 -91.000 PHE 617 1.000 -7.172 82.473 96.923 -99.200 -91.000 PHE 622 1.000 -16.493 76.612 94.216 -99.200 -91.000 TYR 627 0.840 -18.782 63.064 98.914 -99.200 -91.000 PHE 635 1.000 -26.845 69.542 105.498 -99.200 -91.000 PHE 637 1.000 -30.397 64.731 113.672 -99.200 -91.000 PHE 638 1.000 -30.594 70.906 113.416 -99.200 -91.000 TYR 679 0.840 -24.054 58.603 87.831 -99.200 -91.000 HIS 719 0.900 -19.624 54.756 95.196 -99.200 -91.000 PHE 722 1.000 -23.035 45.611 95.313 -99.200 -91.000 TYR 740 0.840 -22.580 40.465 118.675 -99.200 -91.000 TRP 742 1.040 -17.030 41.017 115.491 -99.200 -91.000 TRP6 742 1.020 -17.926 39.959 113.579 -99.200 -91.000 TRP 750 1.040 -17.131 56.429 106.490 -99.200 -91.000 TRP6 750 1.020 -19.083 57.660 105.971 -99.200 -91.000 TYR 753 0.840 -14.137 48.700 113.267 -99.200 -91.000 PHE 754 1.000 -25.150 48.757 113.514 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f3oA1 ASP 4 HA -0.01 -0.02 0.18 -0.75 4.63 4.03 2f3oA1 ASP 4 HB2 -0.01 -0.08 0.10 -0.04 2.71 2.68 2f3oA1 ASP 4 HB3 -0.02 0.07 0.06 -0.04 2.70 2.76 2f3oA1 ARG 5 H -0.01 0.09 0.11 -0.55 8.46 8.10 2f3oA1 ARG 5 HA -0.01 0.13 0.21 -0.75 4.34 3.93 2f3oA1 ARG 5 HB2 -0.01 -0.02 0.11 -0.04 1.90 1.93 2f3oA1 ARG 5 HB3 -0.01 -0.05 0.10 -0.04 1.80 1.80 2f3oA1 ARG 5 HG2 -0.01 0.02 -0.06 -0.04 1.67 1.58 2f3oA1 ARG 5 HG3 -0.01 0.01 0.06 -0.04 1.67 1.70 2f3oA1 ARG 5 HD2 -0.04 -0.05 -0.05 -0.04 3.22 3.04 2f3oA1 ARG 5 HD3 -0.03 0.31 0.04 -0.04 3.22 3.49 2f3oA1 ILE 6 H 0.01 0.05 -0.05 -0.55 8.25 7.71 2f3oA1 ILE 6 HA -0.01 0.12 0.39 -0.75 4.18 3.92 2f3oA1 ILE 6 HB 0.03 -0.03 0.05 -0.04 1.89 1.91 2f3oA1 ILE 6 HG12 -0.00 0.06 0.01 -0.04 1.49 1.52 2f3oA1 ILE 6 HG13 0.05 -0.13 0.05 -0.04 1.21 1.14 2f3oA1 ILE 6 HG23 0.03 0.04 -0.14 -0.04 0.93 0.82 2f3oA1 ILE 6 HD13 0.19 0.02 -0.03 -0.04 0.88 1.01 2f3oA1 GLU 7 H -0.00 0.13 -0.31 -0.55 8.60 7.87 2f3oA1 GLU 7 HA -0.01 0.08 0.32 -0.75 4.29 3.93 2f3oA1 GLU 7 HB2 -0.01 -0.01 0.06 -0.04 2.09 2.09 2f3oA1 GLU 7 HB3 -0.01 0.08 -0.05 -0.04 1.99 1.96 2f3oA1 GLU 7 HG2 -0.02 0.01 -0.00 -0.04 2.34 2.29 2f3oA1 GLU 7 HG3 -0.02 0.01 0.05 -0.04 2.34 2.34 2f3oA1 LYS 8 H -0.00 0.25 -0.28 -0.55 8.42 7.83 2f3oA1 LYS 8 HA -0.00 0.06 0.50 -0.75 4.32 4.12 2f3oA1 LYS 8 HB2 -0.00 0.13 0.01 -0.04 1.87 1.96 2f3oA1 LYS 8 HB3 0.00 -0.05 0.02 -0.04 1.79 1.72 2f3oA1 LYS 8 HG2 -0.00 -0.02 -0.01 -0.04 1.46 1.38 2f3oA1 LYS 8 HG3 -0.00 0.16 0.06 -0.04 1.46 1.63 2f3oA1 LYS 8 HD2 0.00 -0.01 -0.06 -0.04 1.69 1.59 2f3oA1 LYS 8 HD3 0.00 -0.04 -0.03 -0.04 1.68 1.56 2f3oA1 LYS 8 HE2 -0.00 -0.02 -0.08 -0.04 2.99 2.85 2f3oA1 LYS 8 HE3 -0.00 0.22 -0.28 -0.04 2.99 2.88 2f3oA1 LEU 9 H -0.00 0.29 -0.20 -0.55 8.37 7.91 2f3oA1 LEU 9 HA -0.00 0.09 0.47 -0.75 4.35 4.15 2f3oA1 LEU 9 HB2 -0.01 0.03 0.14 -0.04 1.64 1.75 2f3oA1 LEU 9 HB3 -0.02 0.01 -0.06 -0.04 1.64 1.52 2f3oA1 LEU 9 HG -0.01 0.05 -0.05 -0.04 1.64 1.58 2f3oA1 LEU 9 HD13 -0.04 -0.04 -0.14 -0.04 0.93 0.67 2f3oA1 LEU 9 HD23 -0.02 -0.02 -0.09 -0.04 0.89 0.71 2f3oA1 ILE 10 H 0.00 0.51 -0.05 -0.55 8.25 8.16 2f3oA1 ILE 10 HA 0.03 0.07 0.35 -0.75 4.18 3.87 2f3oA1 ILE 10 HB 0.01 0.01 0.11 -0.04 1.89 1.97 2f3oA1 ILE 10 HG23 0.02 0.01 -0.14 -0.04 0.93 0.77 2f3oA1 LYS 11 H 0.00 0.27 -0.30 -0.55 8.42 7.84 2f3oA1 LYS 11 HA 0.01 0.09 0.31 -0.75 4.32 3.96 2f3oA1 LYS 11 HB2 -0.00 0.07 0.09 -0.04 1.87 1.98 2f3oA1 LYS 11 HB3 -0.00 -0.05 0.08 -0.04 1.79 1.78 2f3oA1 LYS 11 HG2 -0.01 -0.02 -0.03 -0.04 1.46 1.36 2f3oA1 LYS 11 HG3 -0.01 0.24 0.11 -0.04 1.46 1.75 2f3oA1 LYS 11 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.61 2f3oA1 LYS 11 HD3 -0.02 -0.01 0.02 -0.04 1.68 1.63 2f3oA1 LYS 11 HE2 -0.04 0.03 -0.00 -0.04 2.99 2.94 2f3oA1 LYS 11 HE3 -0.04 -0.01 0.01 -0.04 2.99 2.91 2f3oA1 LYS 12 H 0.01 0.29 -0.45 -0.55 8.42 7.72 2f3oA1 LYS 12 HA 0.01 0.11 0.74 -0.75 4.32 4.43 2f3oA1 LYS 12 HB2 0.01 0.11 0.16 -0.04 1.87 2.11 2f3oA1 LYS 12 HB3 0.02 -0.05 0.23 -0.04 1.79 1.95 2f3oA1 LYS 12 HG2 0.01 -0.03 -0.11 -0.04 1.46 1.29 2f3oA1 LYS 12 HG3 0.01 0.01 0.07 -0.04 1.46 1.50 2f3oA1 LYS 12 HD2 0.01 -0.07 0.03 -0.04 1.69 1.63 2f3oA1 LYS 12 HD3 0.02 -0.04 0.07 -0.04 1.68 1.69 2f3oA1 LYS 12 HE2 0.01 0.09 0.03 -0.04 2.99 3.08 2f3oA1 LYS 12 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 2f3oA1 VAL 13 H 0.02 0.26 -0.49 -0.55 8.24 7.48 2f3oA1 VAL 13 HA 0.03 0.10 0.30 -0.75 4.13 3.82 2f3oA1 VAL 13 HB 0.06 0.02 0.23 -0.04 2.12 2.38 2f3oA1 VAL 13 HG13 0.02 0.02 0.03 -0.04 0.97 1.00 2f3oA1 VAL 13 HG23 0.04 0.04 -0.05 -0.04 0.95 0.94 2f3oA1 SER 14 H 0.02 0.22 0.06 -0.55 8.46 8.21 2f3oA1 SER 14 HA 0.02 0.23 0.90 -0.75 4.49 4.89 2f3oA1 SER 14 HB2 0.01 0.01 0.11 -0.04 3.95 4.04 2f3oA1 SER 14 HB3 0.00 -0.05 0.16 -0.04 3.93 4.01 2f3oA1 LYS 15 H 0.03 -0.00 -0.07 -0.55 8.42 7.81 2f3oA1 LYS 15 HA 0.02 0.05 0.57 -0.75 4.32 4.21 2f3oA1 LYS 15 HB2 0.02 0.00 0.11 -0.04 1.87 1.96 2f3oA1 LYS 15 HB3 0.02 -0.09 0.08 -0.04 1.79 1.76 2f3oA1 LYS 15 HG2 0.03 -0.08 -0.08 -0.04 1.46 1.29 2f3oA1 LYS 15 HG3 0.03 0.26 -0.13 -0.04 1.46 1.58 2f3oA1 LYS 15 HD2 0.02 -0.08 -0.01 -0.04 1.69 1.58 2f3oA1 LYS 15 HD3 0.02 -0.08 -0.04 -0.04 1.68 1.54 2f3oA1 LYS 15 HE2 0.02 -0.15 -0.06 -0.04 2.99 2.77 2f3oA1 LYS 15 HE3 0.03 0.10 -0.18 -0.04 2.99 2.90 2f3oA1 PRO 16 HA 0.03 0.04 0.45 -0.51 4.44 4.46 2f3oA1 PRO 16 HB2 0.03 0.07 -0.03 -0.04 2.28 2.30 2f3oA1 PRO 16 HB3 0.03 -0.01 0.12 -0.04 2.02 2.11 2f3oA1 PRO 16 HG2 0.02 0.01 0.07 -0.04 2.03 2.09 2f3oA1 PRO 16 HG3 0.02 -0.02 0.08 -0.04 2.03 2.07 2f3oA1 PRO 16 HD2 0.02 0.02 0.24 -0.04 3.68 3.92 2f3oA1 PRO 16 HD3 0.02 0.12 0.19 -0.04 3.65 3.94 2f3oA1 ALA 17 H 0.04 0.08 0.15 -0.55 8.40 8.13 2f3oA1 ALA 17 HA 0.03 0.38 0.49 -0.75 4.34 4.49 2f3oA1 ALA 17 HB3 0.04 0.02 -0.08 -0.04 1.41 1.35 2f3oA1 ARG 18 H 0.03 0.61 0.32 -0.55 8.46 8.86 2f3oA1 ARG 18 HA 0.02 -0.00 1.06 -0.75 4.34 4.67 2f3oA1 ARG 18 HB2 0.02 -0.04 0.09 -0.04 1.90 1.93 2f3oA1 ARG 18 HB3 0.02 0.04 -0.02 -0.04 1.80 1.80 2f3oA1 ARG 18 HG2 0.02 0.31 0.16 -0.04 1.67 2.12 2f3oA1 ARG 18 HG3 0.02 -0.21 -0.33 -0.04 1.67 1.11 2f3oA1 ARG 18 HD2 0.02 -0.19 -0.02 -0.04 3.22 2.99 2f3oA1 ARG 18 HD3 0.02 0.14 0.06 -0.04 3.22 3.40 2f3oA1 LEU 19 H 0.02 0.67 0.14 -0.55 8.37 8.66 2f3oA1 LEU 19 HA 0.01 0.07 0.93 -0.75 4.35 4.60 2f3oA1 LEU 19 HB2 0.02 0.05 -0.02 -0.04 1.64 1.64 2f3oA1 LEU 19 HB3 0.02 -0.09 0.16 -0.04 1.64 1.69 2f3oA1 LEU 19 HG 0.00 0.08 -0.23 -0.04 1.64 1.46 2f3oA1 LEU 19 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.87 2f3oA1 LEU 19 HD23 0.02 -0.03 -0.08 -0.04 0.89 0.76 2f3oA1 SER 20 H -0.00 0.35 0.24 -0.55 8.46 8.50 2f3oA1 SER 20 HA 0.00 0.08 0.64 -0.75 4.49 4.47 2f3oA1 SER 20 HB2 0.00 0.16 0.01 -0.04 3.95 4.09 2f3oA1 SER 20 HB3 -0.01 0.23 0.04 -0.04 3.93 4.15 2f3oA1 VAL 21 H -0.01 -0.02 0.29 -0.55 8.24 7.95 2f3oA1 VAL 21 HA -0.03 0.18 0.96 -0.75 4.13 4.48 2f3oA1 VAL 21 HB 0.00 0.05 0.01 -0.04 2.12 2.14 2f3oA1 VAL 21 HG13 0.01 -0.02 -0.06 -0.04 0.97 0.86 2f3oA1 VAL 21 HG23 0.00 0.04 -0.17 -0.04 0.95 0.78 2f3oA1 GLU 22 H -0.01 0.03 0.25 -0.55 8.60 8.32 2f3oA1 GLU 22 HA -0.00 0.06 0.30 -0.75 4.29 3.89 2f3oA1 GLU 22 HB2 -0.01 0.05 0.19 -0.04 2.09 2.28 2f3oA1 GLU 22 HB3 -0.01 0.12 0.12 -0.04 1.99 2.18 2f3oA1 GLU 22 HG2 -0.00 0.11 0.12 -0.04 2.34 2.53 2f3oA1 GLU 22 HG3 0.00 -0.04 0.10 -0.04 2.34 2.36 2f3oA1 ARG 23 H -0.05 0.09 -0.05 -0.55 8.46 7.89 2f3oA1 ARG 23 HA -0.04 0.14 0.62 -0.75 4.34 4.31 2f3oA1 ARG 23 HB2 -0.09 0.09 0.13 -0.04 1.90 1.98 2f3oA1 ARG 23 HB3 -0.20 -0.10 0.10 -0.04 1.80 1.56 2f3oA1 ARG 23 HG2 -0.12 -0.03 0.09 -0.04 1.67 1.57 2f3oA1 ARG 23 HG3 -0.18 0.11 0.08 -0.04 1.67 1.64 2f3oA1 ARG 23 HD2 -0.78 -0.02 -0.09 -0.04 3.22 2.29 2f3oA1 ARG 23 HD3 -0.41 -0.06 -0.48 -0.04 3.22 2.23 2f3oA1 CYS 24 H -0.11 0.02 -0.17 -0.55 8.50 7.68 2f3oA1 CYS 24 HA -0.16 0.11 0.38 -0.75 4.58 4.15 2f3oA1 CYS 24 HB2 -0.15 -0.03 0.21 -0.04 2.97 2.96 2f3oA1 CYS 24 HB3 -0.04 0.14 0.22 -0.04 2.97 3.25 2f3oA1 ARG 25 H 0.01 0.53 -0.12 -0.55 8.46 8.33 2f3oA1 ARG 25 HA 0.08 0.02 0.40 -0.75 4.34 4.09 2f3oA1 ARG 25 HB2 0.03 0.07 0.13 -0.04 1.90 2.08 2f3oA1 ARG 25 HB3 0.04 0.00 -0.07 -0.04 1.80 1.73 2f3oA1 ARG 25 HG2 0.04 -0.03 -0.01 -0.04 1.67 1.63 2f3oA1 ARG 25 HG3 0.02 0.08 -0.01 -0.04 1.67 1.72 2f3oA1 ARG 25 HD2 0.02 -0.07 -0.04 -0.04 3.22 3.09 2f3oA1 ARG 25 HD3 0.02 0.03 -0.04 -0.04 3.22 3.19 2f3oA1 LEU 26 H 0.06 0.52 -0.00 -0.55 8.37 8.40 2f3oA1 LEU 26 HA 0.15 -0.00 0.39 -0.75 4.35 4.13 2f3oA1 LEU 26 HB2 0.05 0.13 0.17 -0.04 1.64 1.94 2f3oA1 LEU 26 HB3 0.09 -0.01 -0.11 -0.04 1.64 1.57 2f3oA1 LEU 26 HG 0.02 -0.08 0.07 -0.04 1.64 1.61 2f3oA1 LEU 26 HD13 -0.05 0.05 -0.15 -0.04 0.93 0.73 2f3oA1 LEU 26 HD23 -0.07 -0.00 -0.04 -0.04 0.89 0.74 2f3oA1 TYR 27 H 0.20 0.58 -0.18 -0.55 8.29 8.33 2f3oA1 TYR 27 HA 0.09 0.04 0.55 -0.75 4.56 4.49 2f3oA1 TYR 27 HB2 -0.04 0.15 0.12 -0.04 3.06 3.25 2f3oA1 TYR 27 HB3 0.01 0.10 0.13 -0.04 2.98 3.18 2f3oA1 TYR 27 HD2 0.01 0.01 -0.07 -0.04 7.15 7.06 2f3oA1 TYR 27 HE2 -0.17 -0.01 0.01 -0.04 6.85 6.63 2f3oA1 THR 28 H 0.28 0.44 -0.12 -0.55 8.28 8.33 2f3oA1 THR 28 HA 0.32 0.02 0.40 -0.75 4.39 4.37 2f3oA1 THR 28 HB 0.14 0.12 0.18 -0.04 4.32 4.72 2f3oA1 THR 28 HG23 -0.16 -0.01 -0.04 -0.04 1.22 0.97 2f3oA1 GLU 29 H 0.05 0.54 -0.12 -0.55 8.60 8.52 2f3oA1 GLU 29 HA -0.10 -0.00 0.35 -0.75 4.29 3.78 2f3oA1 GLU 29 HB2 0.06 0.13 0.14 -0.04 2.09 2.38 2f3oA1 GLU 29 HB3 0.05 0.12 0.08 -0.04 1.99 2.20 2f3oA1 GLU 29 HG2 -0.03 -0.02 -0.01 -0.04 2.34 2.24 2f3oA1 GLU 29 HG3 -0.01 -0.04 0.03 -0.04 2.34 2.28 2f3oA1 SER 30 H -0.08 0.49 -0.21 -0.55 8.46 8.12 2f3oA1 SER 30 HA -0.31 0.02 0.53 -0.75 4.49 3.98 2f3oA1 SER 30 HB2 -0.21 0.03 0.16 -0.04 3.95 3.89 2f3oA1 SER 30 HB3 -0.12 0.09 0.19 -0.04 3.93 4.06 2f3oA1 MET 31 H -0.15 0.60 -0.03 -0.55 8.47 8.34 2f3oA1 MET 31 HA -0.09 -0.01 0.37 -0.75 4.52 4.04 2f3oA1 MET 31 HB2 -0.00 0.06 0.14 -0.04 2.15 2.30 2f3oA1 MET 31 HB3 0.00 -0.03 0.02 -0.04 2.03 1.98 2f3oA1 MET 31 HG2 -0.46 0.17 0.08 -0.04 2.63 2.37 2f3oA1 MET 31 HG3 0.11 -0.06 -0.04 -0.04 2.56 2.53 2f3oA1 MET 31 HE3 0.23 0.00 -0.00 -0.04 2.10 2.30 2f3oA1 LYS 32 H -0.21 0.55 -0.26 -0.55 8.42 7.94 2f3oA1 LYS 32 HA -0.12 0.05 0.67 -0.75 4.32 4.17 2f3oA1 LYS 32 HB2 -0.24 0.14 0.14 -0.04 1.87 1.87 2f3oA1 LYS 32 HB3 -0.16 -0.05 -0.01 -0.04 1.79 1.53 2f3oA1 LYS 32 HG2 -0.26 -0.04 0.05 -0.04 1.46 1.16 2f3oA1 LYS 32 HG3 -0.90 -0.00 0.00 -0.04 1.46 0.52 2f3oA1 LYS 32 HD2 -0.51 0.02 -0.09 -0.04 1.69 1.07 2f3oA1 LYS 32 HD3 -0.24 -0.04 -0.02 -0.04 1.68 1.34 2f3oA1 LYS 32 HE2 -0.18 -0.03 -0.00 -0.04 2.99 2.74 2f3oA1 LYS 32 HE3 -0.60 0.01 -0.00 -0.04 2.99 2.36 2f3oA1 GLN 33 H -0.14 0.37 -0.12 -0.55 8.47 8.03 2f3oA1 GLN 33 HA -0.08 -0.01 0.44 -0.75 4.36 3.96 2f3oA1 GLN 33 HB2 -0.14 0.13 0.13 -0.04 2.15 2.23 2f3oA1 GLN 33 HB3 -0.09 -0.09 0.10 -0.04 2.02 1.90 2f3oA1 GLN 33 HG2 -0.17 0.28 0.15 -0.04 2.40 2.62 2f3oA1 GLN 33 HG3 -0.15 -0.08 0.04 -0.04 2.39 2.16 2f3oA1 GLN 33 HE21 -0.06 -0.07 -0.01 -0.04 6.97 6.78 2f3oA1 GLN 33 HE22 -0.10 0.10 0.03 -0.04 7.69 7.69 2f3oA1 THR 34 H -0.08 0.20 -0.65 -0.55 8.28 7.20 2f3oA1 THR 34 HA -0.04 0.26 0.99 -0.75 4.39 4.84 2f3oA1 THR 34 HB -0.03 -0.14 0.07 -0.04 4.32 4.18 2f3oA1 THR 34 HG23 -0.06 0.01 -0.15 -0.04 1.22 0.98 2f3oA1 GLU 35 H -0.04 0.29 -0.16 -0.55 8.60 8.15 2f3oA1 GLU 35 HA -0.02 -0.02 0.30 -0.75 4.29 3.80 2f3oA1 GLU 35 HB2 -0.02 0.02 0.11 -0.04 2.09 2.16 2f3oA1 GLU 35 HB3 -0.02 -0.06 0.05 -0.04 1.99 1.92 2f3oA1 GLU 35 HG2 -0.01 -0.04 0.10 -0.04 2.34 2.35 2f3oA1 GLU 35 HG3 0.00 0.28 0.26 -0.04 2.34 2.84 2f3oA1 GLY 36 H -0.01 0.12 0.19 -0.55 8.43 8.18 2f3oA1 GLY 36 HA2 -0.00 -0.04 0.38 -0.51 4.01 3.83 2f3oA1 GLY 36 HA3 -0.01 0.08 0.54 -0.51 4.01 4.11 2f3oA1 GLU 37 H -0.01 0.42 -0.25 -0.55 8.60 8.21 2f3oA1 GLU 37 HA 0.00 0.09 0.71 -0.75 4.29 4.34 2f3oA1 GLU 37 HB2 -0.01 0.17 0.07 -0.04 2.09 2.28 2f3oA1 GLU 37 HB3 -0.01 -0.10 0.06 -0.04 1.99 1.90 2f3oA1 GLU 37 HG2 -0.00 -0.07 0.02 -0.04 2.34 2.24 2f3oA1 GLU 37 HG3 -0.01 0.13 -0.10 -0.04 2.34 2.31 2f3oA1 PRO 38 HA 0.02 0.08 0.53 -0.51 4.44 4.56 2f3oA1 PRO 38 HB2 0.01 -0.15 0.15 -0.04 2.28 2.24 2f3oA1 PRO 38 HB3 0.02 0.04 0.12 -0.04 2.02 2.17 2f3oA1 PRO 38 HG2 0.02 0.03 0.12 -0.04 2.03 2.16 2f3oA1 PRO 38 HG3 0.03 0.09 0.12 -0.04 2.03 2.23 2f3oA1 PRO 38 HD2 0.01 0.09 0.22 -0.04 3.68 3.95 2f3oA1 PRO 38 HD3 0.01 0.23 0.22 -0.04 3.65 4.06 2f3oA1 MET 39 H 0.02 0.21 0.22 -0.55 8.47 8.38 2f3oA1 MET 39 HA 0.02 0.11 0.25 -0.75 4.52 4.14 2f3oA1 MET 39 HB2 0.02 0.07 0.20 -0.04 2.15 2.41 2f3oA1 MET 39 HB3 0.02 -0.01 0.16 -0.04 2.03 2.16 2f3oA1 MET 39 HG2 0.02 0.25 0.06 -0.04 2.63 2.92 2f3oA1 MET 39 HG3 0.03 -0.09 -0.23 -0.04 2.56 2.23 2f3oA1 MET 39 HE3 0.06 0.01 0.10 -0.04 2.10 2.22 2f3oA1 ILE 40 H 0.01 0.09 -0.23 -0.55 8.25 7.57 2f3oA1 ILE 40 HA 0.01 0.13 0.38 -0.75 4.18 3.95 2f3oA1 ILE 40 HB 0.02 0.05 0.03 -0.04 1.89 1.95 2f3oA1 ILE 40 HG12 -0.05 0.01 -0.08 -0.04 1.49 1.32 2f3oA1 ILE 40 HG13 -0.00 -0.03 -0.03 -0.04 1.21 1.11 2f3oA1 ILE 40 HG23 0.01 0.02 -0.17 -0.04 0.93 0.75 2f3oA1 ILE 40 HD13 0.06 -0.00 -0.09 -0.04 0.88 0.80 2f3oA1 ILE 41 H -0.01 0.26 -0.17 -0.55 8.25 7.78 2f3oA1 ILE 41 HA -0.03 0.03 0.52 -0.75 4.18 3.95 2f3oA1 ILE 41 HB -0.01 0.21 0.14 -0.04 1.89 2.19 2f3oA1 ILE 41 HG12 -0.05 -0.00 -0.06 -0.04 1.49 1.33 2f3oA1 ILE 41 HG13 -0.03 -0.08 0.02 -0.04 1.21 1.08 2f3oA1 ILE 41 HG23 -0.03 0.01 -0.07 -0.04 0.93 0.80 2f3oA1 ILE 41 HD13 -0.03 0.00 0.04 -0.04 0.88 0.85 2f3oA1 ARG 42 H -0.00 0.45 -0.21 -0.55 8.46 8.15 2f3oA1 ARG 42 HA -0.02 0.03 0.32 -0.75 4.34 3.91 2f3oA1 ARG 42 HB2 0.02 0.14 0.06 -0.04 1.90 2.08 2f3oA1 ARG 42 HB3 -0.01 -0.01 -0.03 -0.04 1.80 1.71 2f3oA1 ARG 42 HG2 -0.01 -0.08 -0.15 -0.04 1.67 1.38 2f3oA1 ARG 42 HG3 0.00 0.01 -0.50 -0.04 1.67 1.15 2f3oA1 ARG 42 HD2 -0.02 -0.02 -0.24 -0.04 3.22 2.89 2f3oA1 ARG 42 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.08 2f3oA1 GLN 43 H 0.02 0.50 -0.22 -0.55 8.47 8.22 2f3oA1 GLN 43 HA 0.08 0.06 0.44 -0.75 4.36 4.19 2f3oA1 GLN 43 HB2 0.03 0.02 0.13 -0.04 2.15 2.29 2f3oA1 GLN 43 HB3 0.07 -0.06 0.06 -0.04 2.02 2.05 2f3oA1 GLN 43 HG2 0.08 0.13 0.07 -0.04 2.40 2.64 2f3oA1 GLN 43 HG3 0.07 0.06 0.05 -0.04 2.39 2.52 2f3oA1 GLN 43 HE21 0.43 -0.05 0.05 -0.04 6.97 7.36 2f3oA1 GLN 43 HE22 0.18 0.02 0.00 -0.04 7.69 7.85 2f3oA1 ALA 44 H -0.00 0.40 -0.26 -0.55 8.40 7.99 2f3oA1 ALA 44 HA -0.01 -0.04 0.47 -0.75 4.34 4.00 2f3oA1 ALA 44 HB3 -0.04 0.03 0.18 -0.04 1.41 1.54 2f3oA1 LYS 45 H -0.01 0.69 -0.09 -0.55 8.42 8.46 2f3oA1 LYS 45 HA 0.00 -0.01 0.33 -0.75 4.32 3.89 2f3oA1 LYS 45 HB2 -0.03 0.13 0.08 -0.04 1.87 2.02 2f3oA1 LYS 45 HB3 -0.03 -0.01 -0.03 -0.04 1.79 1.68 2f3oA1 LYS 45 HG2 -0.01 -0.06 0.00 -0.04 1.46 1.35 2f3oA1 LYS 45 HG3 -0.02 0.02 0.02 -0.04 1.46 1.44 2f3oA1 LYS 45 HD2 -0.03 0.02 -0.13 -0.04 1.69 1.51 2f3oA1 LYS 45 HD3 -0.03 0.02 -0.05 -0.04 1.68 1.58 2f3oA1 LYS 45 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.88 2f3oA1 LYS 45 HE3 -0.02 -0.04 -0.04 -0.04 2.99 2.85 2f3oA1 ALA 46 H -0.00 0.46 -0.30 -0.55 8.40 8.02 2f3oA1 ALA 46 HA 0.00 0.03 0.57 -0.75 4.34 4.19 2f3oA1 ALA 46 HB3 -0.11 0.03 0.13 -0.04 1.41 1.42 2f3oA1 LEU 47 H 0.08 0.54 -0.08 -0.55 8.37 8.37 2f3oA1 LEU 47 HA 0.07 0.06 0.36 -0.75 4.35 4.08 2f3oA1 LEU 47 HB2 0.05 0.13 0.17 -0.04 1.64 1.96 2f3oA1 LEU 47 HB3 0.00 0.07 0.09 -0.04 1.64 1.76 2f3oA1 LEU 47 HG -0.02 -0.12 -0.02 -0.04 1.64 1.45 2f3oA1 LEU 47 HD13 -0.09 -0.02 -0.12 -0.04 0.93 0.66 2f3oA1 LEU 47 HD23 -0.05 0.04 -0.11 -0.04 0.89 0.73 2f3oA1 LYS 48 H 0.02 0.48 -0.31 -0.55 8.42 8.06 2f3oA1 LYS 48 HA -0.02 -0.02 0.34 -0.75 4.32 3.87 2f3oA1 LYS 48 HB2 -0.00 0.01 0.02 -0.04 1.87 1.85 2f3oA1 LYS 48 HB3 0.03 0.09 0.11 -0.04 1.79 1.98 2f3oA1 LYS 48 HG2 0.03 0.03 -0.37 -0.04 1.46 1.11 2f3oA1 LYS 48 HG3 0.00 -0.07 -0.02 -0.04 1.46 1.34 2f3oA1 LYS 48 HD2 0.02 0.01 -0.03 -0.04 1.69 1.65 2f3oA1 LYS 48 HD3 0.02 -0.01 -0.08 -0.04 1.68 1.57 2f3oA1 LYS 48 HE2 0.00 -0.04 -0.08 -0.04 2.99 2.83 2f3oA1 LYS 48 HE3 -0.00 0.04 0.02 -0.04 2.99 3.01 2f3oA1 HIS 49 H 0.12 0.53 -0.16 -0.55 8.41 8.36 2f3oA1 HIS 49 HA -0.01 -0.03 0.32 -0.75 4.63 4.16 2f3oA1 HIS 49 HB2 -0.01 0.09 0.18 -0.04 3.26 3.47 2f3oA1 HIS 49 HB3 -0.00 0.12 0.18 -0.04 3.20 3.46 2f3oA1 HIS 49 HD2 0.00 0.23 0.01 -0.04 6.97 7.17 2f3oA1 HIS 49 HE1 -0.01 -0.03 -0.03 -0.04 7.75 7.63 2f3oA1 VAL 50 H 0.09 0.60 -0.17 -0.55 8.24 8.21 2f3oA1 VAL 50 HA -0.05 -0.01 0.43 -0.75 4.13 3.75 2f3oA1 VAL 50 HB -0.00 -0.10 0.11 -0.04 2.12 2.09 2f3oA1 VAL 50 HG13 0.13 0.06 -0.05 -0.04 0.97 1.06 2f3oA1 VAL 50 HG23 -0.03 0.05 -0.05 -0.04 0.95 0.88 2f3oA1 LEU 51 H -0.05 0.51 -0.17 -0.55 8.37 8.12 2f3oA1 LEU 51 HA -0.06 0.04 0.34 -0.75 4.35 3.92 2f3oA1 LEU 51 HB2 -0.09 0.07 0.11 -0.04 1.64 1.69 2f3oA1 LEU 51 HB3 -0.12 -0.04 0.02 -0.04 1.64 1.45 2f3oA1 LEU 51 HG -0.20 0.16 0.02 -0.04 1.64 1.58 2f3oA1 LEU 51 HD13 -0.31 -0.05 -0.16 -0.04 0.93 0.37 2f3oA1 LEU 51 HD23 -0.85 -0.01 -0.02 -0.04 0.89 -0.03 2f3oA1 GLU 52 H -0.04 0.49 -0.15 -0.55 8.60 8.35 2f3oA1 GLU 52 HA 0.01 0.10 0.63 -0.75 4.29 4.27 2f3oA1 GLU 52 HB2 -0.05 0.08 0.05 -0.04 2.09 2.13 2f3oA1 GLU 52 HB3 -0.03 -0.08 0.04 -0.04 1.99 1.88 2f3oA1 GLU 52 HG2 0.00 -0.04 -0.03 -0.04 2.34 2.23 2f3oA1 GLU 52 HG3 0.00 0.03 -0.06 -0.04 2.34 2.27 2f3oA1 ASN 53 H -0.10 0.24 -0.35 -0.55 8.53 7.77 2f3oA1 ASN 53 HA -0.08 0.18 0.92 -0.75 4.76 5.02 2f3oA1 ASN 53 HB2 -0.33 0.15 0.04 -0.04 2.88 2.70 2f3oA1 ASN 53 HB3 -0.16 -0.11 0.08 -0.04 2.79 2.55 2f3oA1 ASN 53 HD21 -0.23 -0.08 -0.07 -0.04 7.03 6.60 2f3oA1 ASN 53 HD22 -0.88 0.20 0.02 -0.04 7.74 7.03 2f3oA1 ILE 54 H -0.02 0.40 0.01 -0.55 8.25 8.08 2f3oA1 ILE 54 HA -0.02 -0.02 0.54 -0.75 4.18 3.93 2f3oA1 ILE 54 HB -0.00 0.07 0.11 -0.04 1.89 2.02 2f3oA1 ILE 54 HG12 0.04 0.17 -0.12 -0.04 1.49 1.55 2f3oA1 ILE 54 HG13 0.01 -0.14 0.06 -0.04 1.21 1.09 2f3oA1 ILE 54 HG23 0.11 0.01 -0.08 -0.04 0.93 0.93 2f3oA1 ILE 54 HD13 0.01 -0.03 -0.05 -0.04 0.88 0.78 2f3oA1 PRO 55 HA -0.04 0.05 0.62 -0.51 4.44 4.56 2f3oA1 PRO 55 HB2 0.00 -0.07 0.06 -0.04 2.28 2.23 2f3oA1 PRO 55 HB3 -0.01 0.02 0.09 -0.04 2.02 2.08 2f3oA1 PRO 55 HG2 -0.00 -0.06 0.11 -0.04 2.03 2.04 2f3oA1 PRO 55 HG3 -0.01 0.07 0.11 -0.04 2.03 2.15 2f3oA1 PRO 55 HD2 -0.00 -0.04 0.25 -0.04 3.68 3.85 2f3oA1 PRO 55 HD3 -0.02 0.27 0.27 -0.04 3.65 4.13 2f3oA1 ILE 56 H -0.09 0.16 0.18 -0.55 8.25 7.95 2f3oA1 ILE 56 HA 0.01 0.19 0.84 -0.75 4.18 4.46 2f3oA1 ILE 56 HB -0.81 -0.10 0.01 -0.04 1.89 0.94 2f3oA1 ILE 56 HG12 -0.26 0.07 0.03 -0.04 1.49 1.28 2f3oA1 ILE 56 HG13 -0.29 -0.08 -0.13 -0.04 1.21 0.66 2f3oA1 ILE 56 HG23 -0.24 0.11 -0.18 -0.04 0.93 0.58 2f3oA1 ILE 56 HD13 -0.77 0.01 -0.20 -0.04 0.88 -0.12 2f3oA1 GLN 57 H 0.17 0.21 0.14 -0.55 8.47 8.45 2f3oA1 GLN 57 HA 0.04 0.09 0.48 -0.75 4.36 4.21 2f3oA1 GLN 57 HB2 0.05 0.10 -0.03 -0.04 2.15 2.24 2f3oA1 GLN 57 HB3 0.03 0.11 0.04 -0.04 2.02 2.15 2f3oA1 GLN 57 HG2 0.07 -0.05 -0.22 -0.04 2.40 2.16 2f3oA1 GLN 57 HG3 0.09 -0.01 -0.02 -0.04 2.39 2.41 2f3oA1 GLN 57 HE21 0.03 0.01 -0.01 -0.04 6.97 6.97 2f3oA1 GLN 57 HE22 0.04 0.06 -0.08 -0.04 7.69 7.67 2f3oA1 ILE 58 H 0.09 0.18 0.11 -0.55 8.25 8.08 2f3oA1 ILE 58 HA 0.12 0.05 0.75 -0.75 4.18 4.35 2f3oA1 ILE 58 HB 0.08 0.02 0.06 -0.04 1.89 2.00 2f3oA1 ILE 58 HG12 0.22 -0.02 -0.08 -0.04 1.49 1.57 2f3oA1 ILE 58 HG13 0.19 -0.05 -0.13 -0.04 1.21 1.18 2f3oA1 ILE 58 HG23 0.07 0.02 -0.09 -0.04 0.93 0.88 2f3oA1 ILE 58 HD13 0.11 0.05 -0.11 -0.04 0.88 0.89 2f3oA1 LEU 59 H 0.05 0.10 0.08 -0.55 8.37 8.05 2f3oA1 LEU 59 HA 0.04 0.24 0.81 -0.75 4.35 4.69 2f3oA1 LEU 59 HB2 0.02 0.03 -0.01 -0.04 1.64 1.64 2f3oA1 LEU 59 HB3 0.02 -0.03 0.14 -0.04 1.64 1.73 2f3oA1 LEU 59 HG 0.05 -0.03 -0.06 -0.04 1.64 1.56 2f3oA1 LEU 59 HD13 0.03 0.04 0.02 -0.04 0.93 0.98 2f3oA1 LEU 59 HD23 0.05 0.00 -0.28 -0.04 0.89 0.63 2f3oA1 ASP 60 H 0.02 0.19 0.11 -0.55 8.40 8.17 2f3oA1 ASP 60 HA 0.02 -0.02 0.41 -0.75 4.63 4.28 2f3oA1 ASP 60 HB2 0.01 0.08 0.14 -0.04 2.71 2.90 2f3oA1 ASP 60 HB3 0.01 0.01 -0.03 -0.04 2.70 2.64 2f3oA1 SER 61 H 0.02 0.14 0.24 -0.55 8.46 8.32 2f3oA1 SER 61 HA 0.03 -0.02 0.30 -0.75 4.49 4.04 2f3oA1 SER 61 HB2 0.00 0.17 -0.07 -0.04 3.95 4.01 2f3oA1 SER 61 HB3 0.01 -0.09 0.10 -0.04 3.93 3.90 2f3oA1 GLU 62 H 0.03 0.36 -0.25 -0.55 8.60 8.20 2f3oA1 GLU 62 HA -0.00 0.06 0.40 -0.75 4.29 3.99 2f3oA1 GLU 62 HB2 0.03 0.03 -0.00 -0.04 2.09 2.11 2f3oA1 GLU 62 HB3 0.03 0.01 -0.23 -0.04 1.99 1.76 2f3oA1 GLU 62 HG2 -0.04 -0.03 0.03 -0.04 2.34 2.26 2f3oA1 GLU 62 HG3 -0.01 0.09 -0.18 -0.04 2.34 2.20 2f3oA1 LEU 63 H 0.00 0.07 0.18 -0.55 8.37 8.08 2f3oA1 LEU 63 HA 0.31 0.18 0.78 -0.75 4.35 4.87 2f3oA1 LEU 63 HB2 -0.14 0.01 0.02 -0.04 1.64 1.49 2f3oA1 LEU 63 HB3 -0.31 -0.05 0.02 -0.04 1.64 1.25 2f3oA1 LEU 63 HG -0.09 0.10 -0.11 -0.04 1.64 1.51 2f3oA1 LEU 63 HD13 -0.53 -0.04 -0.07 -0.04 0.93 0.25 2f3oA1 LEU 63 HD23 0.13 0.04 -0.11 -0.04 0.89 0.91 2f3oA1 ILE 64 H 0.01 0.05 0.10 -0.55 8.25 7.86 2f3oA1 ILE 64 HA 0.16 0.16 0.82 -0.75 4.18 4.57 2f3oA1 ILE 64 HB -0.08 -0.09 0.02 -0.04 1.89 1.70 2f3oA1 ILE 64 HG12 0.06 0.04 -0.19 -0.04 1.49 1.36 2f3oA1 ILE 64 HG13 0.19 0.06 -0.01 -0.04 1.21 1.40 2f3oA1 ILE 64 HG23 -0.14 0.04 -0.19 -0.04 0.93 0.59 2f3oA1 ILE 64 HD13 0.05 0.00 -0.24 -0.04 0.88 0.65 2f3oA1 VAL 65 H 0.04 0.20 0.07 -0.55 8.24 8.00 2f3oA1 VAL 65 HA -0.03 0.19 0.88 -0.75 4.13 4.41 2f3oA1 VAL 65 HB -0.13 -0.03 0.03 -0.04 2.12 1.95 2f3oA1 VAL 65 HG13 0.06 -0.02 -0.27 -0.04 0.97 0.70 2f3oA1 VAL 65 HG23 -0.21 0.03 -0.12 -0.04 0.95 0.61 2f3oA1 GLY 66 H -0.17 0.07 0.08 -0.55 8.43 7.87 2f3oA1 GLY 66 HA2 -0.58 0.04 0.34 -0.51 4.01 3.30 2f3oA1 GLY 66 HA3 0.03 0.22 0.77 -0.51 4.01 4.53 2f3oA1 THR 67 H 0.28 0.02 0.17 -0.55 8.28 8.20 2f3oA1 THR 67 HA 0.23 0.06 0.54 -0.75 4.39 4.47 2f3oA1 THR 67 HB 0.14 0.25 0.08 -0.04 4.32 4.74 2f3oA1 THR 67 HG23 0.14 0.01 0.13 -0.04 1.22 1.45 2f3oA1 MET 68 H 0.19 0.09 0.19 -0.55 8.47 8.39 2f3oA1 MET 68 HA 0.07 0.16 0.55 -0.75 4.52 4.54 2f3oA1 MET 68 HB2 0.08 -0.03 0.01 -0.04 2.15 2.17 2f3oA1 MET 68 HB3 0.00 -0.01 -0.03 -0.04 2.03 1.96 2f3oA1 MET 68 HG2 0.17 0.06 -0.03 -0.04 2.63 2.80 2f3oA1 MET 68 HG3 0.34 0.05 0.08 -0.04 2.56 2.98 2f3oA1 MET 68 HE3 0.11 0.07 0.06 -0.04 2.10 2.30 2f3oA1 LEU 69 H 0.09 0.18 -0.00 -0.55 8.37 8.08 2f3oA1 LEU 69 HA 0.04 0.14 0.45 -0.75 4.35 4.22 2f3oA1 LEU 69 HB2 0.02 0.00 -0.03 -0.04 1.64 1.59 2f3oA1 LEU 69 HB3 0.02 -0.01 -0.13 -0.04 1.64 1.47 2f3oA1 LEU 69 HG 0.05 -0.13 -0.13 -0.04 1.64 1.40 2f3oA1 LEU 69 HD13 0.03 0.07 -0.39 -0.04 0.93 0.59 2f3oA1 LEU 69 HD23 0.02 0.02 -0.29 -0.04 0.89 0.60 2f3oA1 PRO 70 HA 0.06 0.04 0.47 -0.51 4.44 4.49 2f3oA1 PRO 70 HB2 0.02 -0.03 -0.04 -0.04 2.28 2.19 2f3oA1 PRO 70 HB3 0.02 0.03 0.03 -0.04 2.02 2.05 2f3oA1 PRO 70 HG2 0.01 -0.12 0.13 -0.04 2.03 2.01 2f3oA1 PRO 70 HG3 0.02 0.31 0.11 -0.04 2.03 2.43 2f3oA1 PRO 70 HD2 0.02 -0.08 0.19 -0.04 3.68 3.77 2f3oA1 PRO 70 HD3 0.03 0.17 0.11 -0.04 3.65 3.92 2f3oA1 ASN 71 H 0.04 0.03 0.07 -0.55 8.53 8.13 2f3oA1 ASN 71 HA 0.04 0.00 0.36 -0.75 4.76 4.41 2f3oA1 ASN 71 HB2 0.02 -0.11 0.02 -0.04 2.88 2.77 2f3oA1 ASN 71 HB3 0.02 0.03 0.06 -0.04 2.79 2.86 2f3oA1 ASN 71 HD21 0.02 0.00 -0.02 -0.04 7.03 6.99 2f3oA1 ASN 71 HD22 0.02 -0.08 0.02 -0.04 7.74 7.67 2f3oA1 PRO 72 HA 0.04 0.04 0.11 -0.51 4.44 4.13 2f3oA1 PRO 72 HB2 0.04 0.10 0.04 -0.04 2.28 2.43 2f3oA1 PRO 72 HB3 0.06 -0.03 0.19 -0.04 2.02 2.19 2f3oA1 PRO 72 HG2 0.06 -0.00 0.08 -0.04 2.03 2.13 2f3oA1 PRO 72 HG3 0.07 0.08 0.08 -0.04 2.03 2.22 2f3oA1 PRO 72 HD2 0.04 0.13 0.08 -0.04 3.68 3.89 2f3oA1 PRO 72 HD3 0.05 -0.09 0.19 -0.04 3.65 3.77 2f3oA1 PRO 73 HA 0.04 0.17 0.44 -0.51 4.44 4.59 2f3oA1 PRO 73 HB2 0.04 0.07 0.00 -0.04 2.28 2.36 2f3oA1 PRO 73 HB3 0.05 -0.01 0.01 -0.04 2.02 2.03 2f3oA1 PRO 73 HG2 0.04 0.03 -0.05 -0.04 2.03 2.01 2f3oA1 PRO 73 HG3 0.06 0.16 0.06 -0.04 2.03 2.26 2f3oA1 PRO 73 HD2 0.04 0.06 -0.38 -0.04 3.68 3.35 2f3oA1 PRO 73 HD3 0.04 0.08 0.15 -0.04 3.65 3.88 2f3oA1 GLY 74 H 0.03 0.65 0.30 -0.55 8.43 8.86 2f3oA1 GLY 74 HA2 0.02 0.11 0.51 -0.51 4.01 4.14 2f3oA1 GLY 74 HA3 0.02 0.01 0.41 -0.51 4.01 3.94 2f3oA1 ALA 75 H 0.00 0.36 0.37 -0.55 8.40 8.58 2f3oA1 ALA 75 HA -0.01 0.31 1.04 -0.75 4.34 4.92 2f3oA1 ALA 75 HB3 -0.01 -0.02 -0.07 -0.04 1.41 1.27 2f3oA1 ILE 76 H 0.02 0.18 0.16 -0.55 8.25 8.05 2f3oA1 ILE 76 HA -0.08 0.08 0.81 -0.75 4.18 4.24 2f3oA1 ILE 76 HB 0.15 -0.04 0.07 -0.04 1.89 2.03 2f3oA1 ILE 76 HG12 -0.02 -0.03 -0.12 -0.04 1.49 1.29 2f3oA1 ILE 76 HG13 0.03 -0.06 -0.09 -0.04 1.21 1.05 2f3oA1 ILE 76 HG23 -0.34 0.03 -0.04 -0.04 0.93 0.54 2f3oA1 ILE 76 HD13 0.08 0.04 -0.06 -0.04 0.88 0.89 2f3oA1 ILE 77 H -0.21 0.12 0.14 -0.55 8.25 7.76 2f3oA1 ILE 77 HA -0.04 0.11 0.81 -0.75 4.18 4.31 2f3oA1 ILE 77 HB -0.14 -0.06 0.17 -0.04 1.89 1.82 2f3oA1 ILE 77 HG12 -0.02 -0.00 -0.10 -0.04 1.49 1.32 2f3oA1 ILE 77 HG13 -0.06 0.23 0.03 -0.04 1.21 1.37 2f3oA1 ILE 77 HG23 -0.06 -0.02 -0.09 -0.04 0.93 0.72 2f3oA1 ILE 77 HD13 -0.02 -0.03 -0.02 -0.04 0.88 0.78 2f3oA1 PHE 78 H 0.08 0.13 0.09 -0.55 8.34 8.08 2f3oA1 PHE 78 HA -0.32 0.34 0.88 -0.75 4.62 4.77 2f3oA1 PHE 78 HB2 -0.09 -0.09 0.22 -0.04 3.15 3.15 2f3oA1 PHE 78 HB3 -0.21 -0.02 0.12 -0.04 3.06 2.91 2f3oA1 PHE 78 HD2 -0.17 -0.01 -0.15 -0.04 7.28 6.92 2f3oA1 PHE 78 HE2 -0.10 0.06 -0.46 -0.04 7.38 6.83 2f3oA1 PHE 78 HZ -0.07 0.45 -0.36 -0.04 7.32 7.30 2f3oA1 PRO 79 HA -0.15 -0.14 0.26 -0.51 4.44 3.90 2f3oA1 PRO 79 HB2 -0.65 0.11 -0.10 -0.04 2.28 1.60 2f3oA1 PRO 79 HB3 -0.18 -0.01 -0.07 -0.04 2.02 1.72 2f3oA1 PRO 79 HG2 -1.42 0.11 -0.02 -0.04 2.03 0.65 2f3oA1 PRO 79 HG3 -0.40 0.11 -0.00 -0.04 2.03 1.69 2f3oA1 PRO 79 HD2 -0.54 0.23 0.14 -0.04 3.68 3.47 2f3oA1 PRO 79 HD3 -0.30 0.13 -0.21 -0.04 3.65 3.22 2f3oA1 GLU 80 H -0.60 0.11 -0.32 -0.55 8.60 7.24 2f3oA1 GLU 80 HA -0.20 0.18 0.49 -0.75 4.29 4.00 2f3oA1 GLU 80 HB2 0.00 0.14 0.10 -0.04 2.09 2.29 2f3oA1 GLU 80 HB3 -0.57 0.02 0.06 -0.04 1.99 1.45 2f3oA1 GLU 80 HG2 -0.12 -0.03 -0.17 -0.04 2.34 1.98 2f3oA1 GLU 80 HG3 -0.02 0.09 -0.02 -0.04 2.34 2.35 2f3oA1 GLY 81 H -0.12 0.10 -0.35 -0.55 8.43 7.51 2f3oA1 GLY 81 HA2 -0.08 0.23 0.88 -0.51 4.01 4.53 2f3oA1 GLY 81 HA3 -0.13 0.08 0.41 -0.51 4.01 3.86 2f3oA1 VAL 82 H -0.02 0.18 0.24 -0.55 8.24 8.09 2f3oA1 VAL 82 HA 0.02 0.22 0.86 -0.75 4.13 4.47 2f3oA1 VAL 82 HB -0.04 0.00 -0.18 -0.04 2.12 1.86 2f3oA1 VAL 82 HG13 0.08 -0.00 0.02 -0.04 0.97 1.03 2f3oA1 VAL 82 HG23 0.04 0.01 -0.02 -0.04 0.95 0.94 2f3oA1 GLY 83 H -0.00 0.56 -0.03 -0.55 8.43 8.41 2f3oA1 GLY 83 HA2 0.05 0.13 0.35 -0.51 4.01 4.03 2f3oA1 GLY 83 HA3 -0.01 -0.03 0.02 -0.51 4.01 3.48 2f3oA1 LEU 84 H 0.03 0.22 -0.35 -0.55 8.37 7.73 2f3oA1 LEU 84 HA 0.05 0.09 0.54 -0.75 4.35 4.27 2f3oA1 LEU 84 HB2 0.06 0.05 -0.03 -0.04 1.64 1.67 2f3oA1 LEU 84 HB3 0.06 0.02 0.04 -0.04 1.64 1.72 2f3oA1 LEU 84 HG 0.11 0.16 -0.07 -0.04 1.64 1.79 2f3oA1 LEU 84 HD13 0.13 -0.00 -0.08 -0.04 0.93 0.93 2f3oA1 LEU 84 HD23 0.13 -0.03 -0.15 -0.04 0.89 0.79 2f3oA1 ARG 85 H 0.05 0.37 -0.29 -0.55 8.46 8.03 2f3oA1 ARG 85 HA 0.03 0.08 0.47 -0.75 4.34 4.17 2f3oA1 ARG 85 HB2 0.08 0.24 0.20 -0.04 1.90 2.37 2f3oA1 ARG 85 HB3 0.07 -0.12 -0.01 -0.04 1.80 1.71 2f3oA1 ARG 85 HG2 0.04 0.00 0.06 -0.04 1.67 1.73 2f3oA1 ARG 85 HG3 0.06 0.05 0.10 -0.04 1.67 1.83 2f3oA1 ARG 85 HD2 0.08 0.03 0.04 -0.04 3.22 3.32 2f3oA1 ARG 85 HD3 0.08 -0.13 0.03 -0.04 3.22 3.15 2f3oA1 ILE 86 H 0.06 0.24 -0.26 -0.55 8.25 7.74 2f3oA1 ILE 86 HA 0.07 0.05 0.24 -0.75 4.18 3.78 2f3oA1 ILE 86 HB 0.08 0.09 -0.02 -0.04 1.89 2.00 2f3oA1 ILE 86 HG12 0.06 -0.03 -0.09 -0.04 1.49 1.38 2f3oA1 ILE 86 HG13 0.09 -0.05 -0.39 -0.04 1.21 0.82 2f3oA1 ILE 86 HG23 0.04 0.06 -0.14 -0.04 0.93 0.85 2f3oA1 ILE 86 HD13 0.06 0.02 -0.24 -0.04 0.88 0.68 2f3oA1 ILE 87 H 0.04 0.19 -0.33 -0.55 8.25 7.60 2f3oA1 ILE 87 HA 0.04 0.07 0.41 -0.75 4.18 3.94 2f3oA1 ILE 87 HB 0.05 0.10 0.04 -0.04 1.89 2.03 2f3oA1 ILE 87 HG12 0.04 0.10 0.17 -0.04 1.49 1.76 2f3oA1 ILE 87 HG13 0.06 -0.02 -0.00 -0.04 1.21 1.21 2f3oA1 ILE 87 HG23 0.05 0.01 -0.10 -0.04 0.93 0.84 2f3oA1 ILE 87 HD13 0.03 -0.03 -0.05 -0.04 0.88 0.79 2f3oA1 ASN 88 H 0.04 0.35 -0.28 -0.55 8.53 8.09 2f3oA1 ASN 88 HA 0.03 0.04 0.35 -0.75 4.76 4.43 2f3oA1 ASN 88 HB2 0.02 0.10 0.16 -0.04 2.88 3.12 2f3oA1 ASN 88 HB3 0.02 0.10 0.07 -0.04 2.79 2.94 2f3oA1 ASN 88 HD21 0.01 -0.02 0.06 -0.04 7.03 7.04 2f3oA1 ASN 88 HD22 0.02 -0.00 0.06 -0.04 7.74 7.77 2f3oA1 GLU 89 H 0.04 0.33 -0.98 -0.55 8.60 7.44 2f3oA1 GLU 89 HA 0.03 0.14 0.82 -0.75 4.29 4.52 2f3oA1 GLU 89 HB2 0.05 0.08 -0.01 -0.04 2.09 2.16 2f3oA1 GLU 89 HB3 0.05 -0.07 0.20 -0.04 1.99 2.12 2f3oA1 GLU 89 HG2 0.04 0.06 0.04 -0.04 2.34 2.43 2f3oA1 GLU 89 HG3 0.04 0.07 -0.35 -0.04 2.34 2.06 2f3oA1 LEU 90 H 0.03 0.42 0.05 -0.55 8.37 8.33 2f3oA1 LEU 90 HA 0.03 0.11 0.36 -0.75 4.35 4.10 2f3oA1 LEU 90 HB2 0.03 0.04 0.18 -0.04 1.64 1.85 2f3oA1 LEU 90 HB3 0.03 -0.03 -0.00 -0.04 1.64 1.59 2f3oA1 LEU 90 HG 0.03 0.09 0.22 -0.04 1.64 1.95 2f3oA1 LEU 90 HD13 0.03 -0.03 0.09 -0.04 0.93 0.98 2f3oA1 LEU 90 HD23 0.03 -0.00 0.02 -0.04 0.89 0.90 2f3oA1 ASP 91 H 0.03 0.08 -0.26 -0.55 8.40 7.70 2f3oA1 ASP 91 HA 0.02 0.08 0.42 -0.75 4.63 4.40 2f3oA1 ASP 91 HB2 0.02 -0.01 0.05 -0.04 2.71 2.73 2f3oA1 ASP 91 HB3 0.02 0.04 -0.00 -0.04 2.70 2.72 2f3oA1 SER 92 H 0.03 0.24 -0.23 -0.55 8.46 7.96 2f3oA1 SER 92 HA 0.03 0.12 0.36 -0.75 4.49 4.24 2f3oA1 SER 92 HB2 0.04 0.07 0.03 -0.04 3.95 4.05 2f3oA1 SER 92 HB3 0.04 0.00 0.06 -0.04 3.93 3.99 2f3oA1 LEU 93 H 0.04 0.21 -0.37 -0.55 8.37 7.69 2f3oA1 LEU 93 HA 0.05 0.03 0.16 -0.75 4.35 3.83 2f3oA1 LEU 93 HB2 0.03 0.08 0.08 -0.04 1.64 1.79 2f3oA1 LEU 93 HB3 0.04 0.00 0.02 -0.04 1.64 1.66 2f3oA1 LEU 93 HG 0.04 0.05 0.00 -0.04 1.64 1.70 2f3oA1 LEU 93 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 2f3oA1 LEU 93 HD23 0.06 -0.02 -0.09 -0.04 0.89 0.79 2f3oA1 PRO 94 HA 0.03 0.12 0.58 -0.51 4.44 4.65 2f3oA1 PRO 94 HB2 0.02 0.01 -0.03 -0.04 2.28 2.24 2f3oA1 PRO 94 HB3 0.03 -0.07 0.10 -0.04 2.02 2.03 2f3oA1 PRO 94 HG2 0.02 0.01 0.11 -0.04 2.03 2.13 2f3oA1 PRO 94 HG3 0.02 -0.15 0.18 -0.04 2.03 2.05 2f3oA1 PRO 94 HD2 0.03 0.20 -0.04 -0.04 3.68 3.83 2f3oA1 PRO 94 HD3 0.03 0.16 0.09 -0.04 3.65 3.89 2f3oA1 ASN 95 H 0.03 0.21 -0.26 -0.55 8.53 7.96 2f3oA1 ASN 95 HA 0.03 0.21 0.95 -0.75 4.76 5.20 2f3oA1 ASN 95 HB2 0.02 -0.03 0.08 -0.04 2.88 2.91 2f3oA1 ASN 95 HB3 0.02 -0.03 0.19 -0.04 2.79 2.93 2f3oA1 ASN 95 HD21 0.02 -0.04 -0.05 -0.04 7.03 6.91 2f3oA1 ASN 95 HD22 0.02 -0.00 -0.39 -0.04 7.74 7.33 2f3oA1 ARG 96 H 0.04 0.37 -0.13 -0.55 8.46 8.18 2f3oA1 ARG 96 HA 0.03 0.05 0.50 -0.75 4.34 4.17 2f3oA1 ARG 96 HB2 0.05 -0.18 0.07 -0.04 1.90 1.79 2f3oA1 ARG 96 HB3 0.04 0.14 -0.01 -0.04 1.80 1.94 2f3oA1 ARG 96 HG2 0.05 0.12 -0.16 -0.04 1.67 1.64 2f3oA1 ARG 96 HG3 0.05 0.03 -0.37 -0.04 1.67 1.34 2f3oA1 ARG 96 HD2 0.07 -0.13 -0.12 -0.04 3.22 3.00 2f3oA1 ARG 96 HD3 0.06 -0.10 -0.24 -0.04 3.22 2.90 2f3oA1 GLU 97 H 0.03 0.08 0.09 -0.55 8.60 8.25 2f3oA1 GLU 97 HA 0.03 0.12 0.11 -0.75 4.29 3.79 2f3oA1 GLU 97 HB2 0.02 0.07 0.08 -0.04 2.09 2.21 2f3oA1 GLU 97 HB3 0.02 -0.03 0.08 -0.04 1.99 2.02 2f3oA1 GLU 97 HG2 0.02 -0.04 0.07 -0.04 2.34 2.35 2f3oA1 GLU 97 HG3 0.03 0.05 -0.07 -0.04 2.34 2.30 2f3oA1 THR 98 H 0.05 0.09 -0.13 -0.55 8.28 7.74 2f3oA1 THR 98 HA 0.05 0.24 0.92 -0.75 4.39 4.85 2f3oA1 THR 98 HB 0.08 0.12 -0.03 -0.04 4.32 4.44 2f3oA1 THR 98 HG23 0.02 -0.03 -0.48 -0.04 1.22 0.68 2f3oA1 ASN 99 H 0.08 0.15 0.12 -0.55 8.53 8.33 2f3oA1 ASN 99 HA 0.08 0.05 0.33 -0.75 4.76 4.46 2f3oA1 ASN 99 HB2 0.13 -0.13 -0.04 -0.04 2.88 2.80 2f3oA1 ASN 99 HB3 0.12 0.10 0.02 -0.04 2.79 2.99 2f3oA1 ASN 99 HD21 0.00 0.28 0.04 -0.04 7.03 7.31 2f3oA1 ASN 99 HD22 0.12 -0.04 0.03 -0.04 7.74 7.80 2f3oA1 ARG 100 H 0.06 0.01 -0.14 -0.55 8.46 7.83 2f3oA1 ARG 100 HA 0.05 0.20 0.50 -0.75 4.34 4.33 2f3oA1 ARG 100 HB2 0.04 0.13 0.04 -0.04 1.90 2.07 2f3oA1 ARG 100 HB3 0.04 0.11 -0.01 -0.04 1.80 1.90 2f3oA1 ARG 100 HG2 0.05 -0.12 0.06 -0.04 1.67 1.61 2f3oA1 ARG 100 HG3 0.04 -0.05 -0.01 -0.04 1.67 1.61 2f3oA1 ARG 100 HD2 0.04 -0.06 0.01 -0.04 3.22 3.17 2f3oA1 ARG 100 HD3 0.03 -0.04 0.02 -0.04 3.22 3.19 2f3oA1 LEU 101 H 0.04 0.66 0.12 -0.55 8.37 8.64 2f3oA1 LEU 101 HA 0.03 0.32 0.61 -0.75 4.35 4.56 2f3oA1 LEU 101 HB2 0.04 -0.08 -0.07 -0.04 1.64 1.48 2f3oA1 LEU 101 HB3 0.03 -0.10 -0.39 -0.04 1.64 1.13 2f3oA1 LEU 101 HG 0.04 0.19 -0.51 -0.04 1.64 1.32 2f3oA1 LEU 101 HD13 0.03 -0.02 -0.13 -0.04 0.93 0.77 2f3oA1 LEU 101 HD23 0.02 0.05 -0.39 -0.04 0.89 0.53 2f3oA1 MET 102 H 0.03 0.66 0.29 -0.55 8.47 8.90 2f3oA1 MET 102 HA 0.03 0.03 0.56 -0.75 4.52 4.39 2f3oA1 MET 102 HB2 0.02 -0.05 0.02 -0.04 2.15 2.10 2f3oA1 MET 102 HB3 0.02 -0.06 0.03 -0.04 2.03 1.98 2f3oA1 MET 102 HG2 0.02 -0.03 -0.01 -0.04 2.63 2.58 2f3oA1 MET 102 HG3 0.03 0.32 0.03 -0.04 2.56 2.90 2f3oA1 MET 102 HE3 0.02 -0.02 -0.09 -0.04 2.10 1.97 2f3oA1 VAL 103 H 0.02 0.20 0.17 -0.55 8.24 8.09 2f3oA1 VAL 103 HA 0.02 0.18 0.98 -0.75 4.13 4.56 2f3oA1 VAL 103 HB 0.02 0.07 -0.02 -0.04 2.12 2.15 2f3oA1 VAL 103 HG13 0.02 0.05 0.10 -0.04 0.97 1.10 2f3oA1 VAL 103 HG23 0.02 -0.03 -0.19 -0.04 0.95 0.70 2f3oA1 ASP 104 H 0.02 0.25 0.08 -0.55 8.40 8.21 2f3oA1 ASP 104 HA 0.02 0.11 0.65 -0.75 4.63 4.65 2f3oA1 ASP 104 HB2 0.01 0.15 0.13 -0.04 2.71 2.96 2f3oA1 ASP 104 HB3 0.01 -0.00 0.21 -0.04 2.70 2.88 2f3oA1 GLU 105 H 0.01 0.23 0.22 -0.55 8.60 8.52 2f3oA1 GLU 105 HA 0.02 0.09 0.20 -0.75 4.29 3.84 2f3oA1 GLU 105 HB2 0.01 0.02 0.07 -0.04 2.09 2.16 2f3oA1 GLU 105 HB3 0.02 0.11 0.12 -0.04 1.99 2.19 2f3oA1 GLU 105 HG2 0.01 0.08 0.12 -0.04 2.34 2.51 2f3oA1 GLU 105 HG3 0.01 -0.15 0.14 -0.04 2.34 2.30 2f3oA1 GLU 106 H 0.01 0.07 -0.27 -0.55 8.60 7.87 2f3oA1 GLU 106 HA 0.01 0.14 0.61 -0.75 4.29 4.30 2f3oA1 GLU 106 HB2 0.01 -0.03 0.08 -0.04 2.09 2.11 2f3oA1 GLU 106 HB3 0.01 0.06 -0.02 -0.04 1.99 1.99 2f3oA1 GLU 106 HG2 0.01 -0.03 0.01 -0.04 2.34 2.29 2f3oA1 GLU 106 HG3 0.01 0.05 0.02 -0.04 2.34 2.37 2f3oA1 ASP 107 H 0.01 0.20 -0.08 -0.55 8.40 7.99 2f3oA1 ASP 107 HA 0.02 0.14 1.01 -0.75 4.63 5.05 2f3oA1 ASP 107 HB2 0.02 -0.01 0.15 -0.04 2.71 2.83 2f3oA1 ASP 107 HB3 0.01 0.03 0.05 -0.04 2.70 2.75 2f3oA1 ALA 108 H 0.02 0.30 -0.29 -0.55 8.40 7.89 2f3oA1 ALA 108 HA 0.02 0.08 0.57 -0.75 4.34 4.26 2f3oA1 ALA 108 HB3 0.02 0.06 -0.00 -0.04 1.41 1.45 2f3oA1 LYS 109 H 0.02 0.29 -0.38 -0.55 8.42 7.80 2f3oA1 LYS 109 HA 0.02 0.09 0.52 -0.75 4.32 4.19 2f3oA1 LYS 109 HB2 0.02 0.11 0.14 -0.04 1.87 2.10 2f3oA1 LYS 109 HB3 0.02 0.12 0.05 -0.04 1.79 1.93 2f3oA1 LYS 109 HG2 0.02 -0.04 0.02 -0.04 1.46 1.42 2f3oA1 LYS 109 HG3 0.02 -0.00 0.03 -0.04 1.46 1.46 2f3oA1 LYS 109 HD2 0.01 0.01 0.02 -0.04 1.69 1.69 2f3oA1 LYS 109 HD3 0.01 0.00 -0.05 -0.04 1.68 1.60 2f3oA1 LYS 109 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2f3oA1 LYS 109 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.95 2f3oA1 VAL 110 H 0.02 0.13 -0.28 -0.55 8.24 7.57 2f3oA1 VAL 110 HA 0.03 0.10 0.45 -0.75 4.13 3.95 2f3oA1 VAL 110 HB 0.02 0.02 0.19 -0.04 2.12 2.31 2f3oA1 VAL 110 HG13 0.03 0.04 -0.05 -0.04 0.97 0.95 2f3oA1 VAL 110 HG23 0.02 0.01 0.04 -0.04 0.95 0.97 2f3oA1 LEU 111 H 0.03 0.36 -0.33 -0.55 8.37 7.88 2f3oA1 LEU 111 HA 0.06 0.01 0.51 -0.75 4.35 4.18 2f3oA1 LEU 111 HB2 0.04 0.13 0.15 -0.04 1.64 1.92 2f3oA1 LEU 111 HB3 0.04 -0.05 0.04 -0.04 1.64 1.63 2f3oA1 LEU 111 HG 0.03 0.20 0.09 -0.04 1.64 1.92 2f3oA1 LEU 111 HD13 0.02 -0.00 -0.03 -0.04 0.93 0.88 2f3oA1 LEU 111 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.85 2f3oA1 ARG 112 H 0.04 0.33 -0.27 -0.55 8.46 8.01 2f3oA1 ARG 112 HA 0.05 0.04 0.21 -0.75 4.34 3.89 2f3oA1 ARG 112 HB2 0.03 0.10 0.17 -0.04 1.90 2.15 2f3oA1 ARG 112 HB3 0.03 -0.00 -0.00 -0.04 1.80 1.79 2f3oA1 ARG 112 HG2 0.03 -0.03 0.02 -0.04 1.67 1.65 2f3oA1 ARG 112 HG3 0.03 0.08 0.09 -0.04 1.67 1.83 2f3oA1 ARG 112 HD2 0.02 -0.00 0.00 -0.04 3.22 3.20 2f3oA1 ARG 112 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 2f3oA1 GLU 113 H 0.04 0.13 -0.28 -0.55 8.60 7.94 2f3oA1 GLU 113 HA 0.04 0.20 0.83 -0.75 4.29 4.61 2f3oA1 GLU 113 HB2 0.02 -0.01 0.11 -0.04 2.09 2.18 2f3oA1 GLU 113 HB3 0.02 -0.03 -0.20 -0.04 1.99 1.74 2f3oA1 GLU 113 HG2 0.03 0.20 -0.03 -0.04 2.34 2.49 2f3oA1 GLU 113 HG3 0.02 -0.02 -0.14 -0.04 2.34 2.16 2f3oA1 GLU 114 H 0.05 0.03 -0.10 -0.55 8.60 8.05 2f3oA1 GLU 114 HA 0.04 0.22 0.92 -0.75 4.29 4.70 2f3oA1 GLU 114 HB2 0.03 -0.05 -0.01 -0.04 2.09 2.02 2f3oA1 GLU 114 HB3 0.04 0.24 0.25 -0.04 1.99 2.48 2f3oA1 GLU 114 HG2 0.01 -0.00 -0.07 -0.04 2.34 2.24 2f3oA1 GLU 114 HG3 -0.00 0.02 0.07 -0.04 2.34 2.39 2f3oA1 ILE 115 H 0.10 0.29 0.24 -0.55 8.25 8.33 2f3oA1 ILE 115 HA 0.27 0.11 0.49 -0.75 4.18 4.29 2f3oA1 ILE 115 HB 0.13 0.06 0.31 -0.04 1.89 2.35 2f3oA1 ILE 115 HG12 0.09 0.12 -0.03 -0.04 1.49 1.63 2f3oA1 ILE 115 HG13 0.09 -0.04 -0.06 -0.04 1.21 1.16 2f3oA1 ILE 115 HG23 0.24 -0.01 -0.13 -0.04 0.93 0.99 2f3oA1 ILE 115 HD13 0.17 0.01 -0.10 -0.04 0.88 0.92 2f3oA1 ALA 116 H 0.13 0.62 0.17 -0.55 8.40 8.77 2f3oA1 ALA 116 HA 0.19 -0.05 0.34 -0.75 4.34 4.07 2f3oA1 ALA 116 HB3 0.08 0.02 0.04 -0.04 1.41 1.50 2f3oA1 PRO 117 HA 0.05 0.14 0.81 -0.51 4.44 4.93 2f3oA1 PRO 117 HB2 0.04 0.07 -0.14 -0.04 2.28 2.22 2f3oA1 PRO 117 HB3 0.03 -0.01 0.03 -0.04 2.02 2.03 2f3oA1 PRO 117 HG2 0.05 0.21 -0.19 -0.04 2.03 2.05 2f3oA1 PRO 117 HG3 0.04 0.06 -0.06 -0.04 2.03 2.03 2f3oA1 PRO 117 HD2 0.10 0.19 -0.84 -0.04 3.68 3.09 2f3oA1 PRO 117 HD3 0.08 0.01 -0.48 -0.04 3.65 3.22 2f3oA1 TYR 118 H 0.17 0.29 -0.31 -0.55 8.29 7.89 2f3oA1 TYR 118 HA -0.14 0.08 0.51 -0.75 4.56 4.25 2f3oA1 TYR 118 HB2 -0.13 0.04 0.12 -0.04 3.06 3.05 2f3oA1 TYR 118 HB3 -0.19 0.04 0.20 -0.04 2.98 2.98 2f3oA1 TYR 118 HD2 -1.05 -0.03 -0.07 -0.04 7.15 5.96 2f3oA1 TYR 118 HE2 -0.74 -0.03 -0.05 -0.04 6.85 5.99 2f3oA1 TRP 119 H 0.30 0.42 -0.01 -0.55 7.97 8.13 2f3oA1 TRP 119 HA -0.07 0.13 0.28 -0.75 4.62 4.21 2f3oA1 TRP 119 HB2 0.09 -0.01 -0.05 -0.04 3.23 3.22 2f3oA1 TRP 119 HB3 0.07 0.05 -0.11 -0.04 3.23 3.19 2f3oA1 TRP 119 HD1 0.19 0.06 0.01 -0.04 7.22 7.44 2f3oA1 TRP 119 HE1 0.21 -0.02 -0.00 -0.04 10.20 10.35 2f3oA1 TRP 119 HE3 0.06 -0.02 -0.18 -0.04 7.59 7.40 2f3oA1 TRP 119 HZ2 0.15 -0.00 -0.12 -0.04 7.44 7.43 2f3oA1 TRP 119 HZ3 0.11 0.19 0.03 -0.04 7.13 7.43 2f3oA1 TRP 119 HH2 0.15 0.03 -0.02 -0.04 7.19 7.31 2f3oA1 GLN 120 H 0.13 0.25 -0.42 -0.55 8.47 7.88 2f3oA1 GLN 120 HA 0.07 -0.13 0.50 -0.75 4.36 4.05 2f3oA1 GLN 120 HB2 0.05 0.27 0.16 -0.04 2.15 2.59 2f3oA1 GLN 120 HB3 -0.01 0.16 -0.01 -0.04 2.02 2.12 2f3oA1 GLN 120 HG2 0.00 -0.01 0.01 -0.04 2.40 2.36 2f3oA1 GLN 120 HG3 -0.01 -0.03 -0.10 -0.04 2.39 2.22 2f3oA1 GLN 120 HE21 -0.01 -0.04 0.02 -0.04 6.97 6.90 2f3oA1 GLN 120 HE22 -0.02 0.00 0.01 -0.04 7.69 7.65 2f3oA1 ARG 121 H 0.04 0.01 0.21 -0.55 8.46 8.16 2f3oA1 ARG 121 HA 0.02 -0.13 0.38 -0.75 4.34 3.85 2f3oA1 ARG 121 HB2 -0.02 -0.02 0.16 -0.04 1.90 1.98 2f3oA1 ARG 121 HB3 -0.03 -0.08 -0.02 -0.04 1.80 1.63 2f3oA1 ARG 121 HG2 -0.06 0.35 -0.21 -0.04 1.67 1.71 2f3oA1 ARG 121 HG3 -0.06 0.00 0.09 -0.04 1.67 1.66 2f3oA1 ARG 121 HD2 -0.04 -0.04 0.01 -0.04 3.22 3.11 2f3oA1 ARG 121 HD3 -0.04 -0.07 -0.06 -0.04 3.22 3.01 2f3oA1 LYS 122 H 0.10 0.56 -0.27 -0.55 8.42 8.26 2f3oA1 LYS 122 HA 0.02 0.16 0.73 -0.75 4.32 4.48 2f3oA1 LYS 122 HB2 -0.08 0.04 0.02 -0.04 1.87 1.81 2f3oA1 LYS 122 HB3 -0.01 -0.09 0.17 -0.04 1.79 1.82 2f3oA1 LYS 122 HG2 -0.23 -0.05 0.09 -0.04 1.46 1.23 2f3oA1 LYS 122 HG3 -0.35 0.16 -0.17 -0.04 1.46 1.06 2f3oA1 LYS 122 HD2 -1.54 0.00 -0.11 -0.04 1.69 0.01 2f3oA1 LYS 122 HD3 -0.71 -0.09 -0.00 -0.04 1.68 0.84 2f3oA1 LYS 122 HE2 -1.30 -0.08 -0.01 -0.04 2.99 1.56 2f3oA1 LYS 122 HE3 -0.45 -0.08 0.01 -0.04 2.99 2.43 2f3oA1 THR 123 H 0.13 -0.09 0.05 -0.55 8.28 7.82 2f3oA1 THR 123 HA 0.20 0.32 0.69 -0.75 4.39 4.84 2f3oA1 THR 123 HB 0.07 0.16 0.22 -0.04 4.32 4.74 2f3oA1 THR 123 HG23 0.15 0.07 0.08 -0.04 1.22 1.48 2f3oA1 ILE 124 H 0.04 0.62 0.35 -0.55 8.25 8.71 2f3oA1 ILE 124 HA 0.02 0.11 0.46 -0.75 4.18 4.01 2f3oA1 ILE 124 HB -0.03 0.13 0.25 -0.04 1.89 2.20 2f3oA1 ILE 124 HG12 -0.04 -0.01 -0.04 -0.04 1.49 1.36 2f3oA1 ILE 124 HG13 -0.02 0.23 0.11 -0.04 1.21 1.49 2f3oA1 ILE 124 HG23 -0.06 -0.00 -0.12 -0.04 0.93 0.71 2f3oA1 ILE 124 HD13 -0.10 -0.00 -0.10 -0.04 0.88 0.64 2f3oA1 GLU 125 H 0.05 0.21 -0.02 -0.55 8.60 8.30 2f3oA1 GLU 125 HA 0.09 0.04 0.35 -0.75 4.29 4.01 2f3oA1 GLU 125 HB2 0.08 0.00 0.09 -0.04 2.09 2.22 2f3oA1 GLU 125 HB3 0.07 0.06 0.13 -0.04 1.99 2.21 2f3oA1 GLU 125 HG2 0.08 -0.00 -0.14 -0.04 2.34 2.24 2f3oA1 GLU 125 HG3 0.15 -0.02 -0.18 -0.04 2.34 2.25 2f3oA1 ALA 126 H 0.10 0.09 -0.37 -0.55 8.40 7.67 2f3oA1 ALA 126 HA 0.07 0.02 0.44 -0.75 4.34 4.12 2f3oA1 ALA 126 HB3 0.06 0.06 0.01 -0.04 1.41 1.50 2f3oA1 PHE 127 H 0.20 0.37 -0.22 -0.55 8.34 8.14 2f3oA1 PHE 127 HA -0.01 0.06 0.54 -0.75 4.62 4.46 2f3oA1 PHE 127 HB2 -0.04 0.05 0.09 -0.04 3.15 3.21 2f3oA1 PHE 127 HB3 -0.06 0.07 0.13 -0.04 3.06 3.16 2f3oA1 PHE 127 HD2 -0.11 0.01 -0.21 -0.04 7.28 6.92 2f3oA1 PHE 127 HE2 -0.37 -0.02 -0.09 -0.04 7.38 6.86 2f3oA1 PHE 127 HZ -0.50 -0.02 -0.07 -0.04 7.32 6.68 2f3oA1 ALA 128 H 0.19 0.37 -0.09 -0.55 8.40 8.33 2f3oA1 ALA 128 HA 0.15 0.09 0.34 -0.75 4.34 4.16 2f3oA1 ALA 128 HB3 0.08 -0.01 -0.04 -0.04 1.41 1.40 2f3oA1 PHE 129 H 0.21 0.52 -0.23 -0.55 8.34 8.28 2f3oA1 PHE 129 HA -0.01 -0.07 0.20 -0.75 4.62 3.99 2f3oA1 PHE 129 HB2 0.02 0.07 0.08 -0.04 3.15 3.28 2f3oA1 PHE 129 HB3 -0.00 0.12 0.08 -0.04 3.06 3.22 2f3oA1 PHE 129 HD2 0.01 0.03 -0.13 -0.04 7.28 7.15 2f3oA1 PHE 129 HE2 0.03 -0.01 -0.05 -0.04 7.38 7.31 2f3oA1 PHE 129 HZ 0.02 0.00 -0.02 -0.04 7.32 7.28 2f3oA1 PRO 130 HA -0.02 0.02 0.30 -0.51 4.44 4.23 2f3oA1 PRO 130 HB2 -0.03 0.00 0.04 -0.04 2.28 2.25 2f3oA1 PRO 130 HB3 0.05 -0.02 0.11 -0.04 2.02 2.11 2f3oA1 PRO 130 HG2 -0.11 0.08 -0.00 -0.04 2.03 1.96 2f3oA1 PRO 130 HG3 -0.06 0.03 0.06 -0.04 2.03 2.02 2f3oA1 PRO 130 HD2 0.02 0.29 -0.38 -0.04 3.68 3.57 2f3oA1 PRO 130 HD3 0.13 0.13 0.09 -0.04 3.65 3.95 2f3oA1 LEU 131 H -0.07 0.36 -0.68 -0.55 8.37 7.44 2f3oA1 LEU 131 HA -0.06 0.08 0.52 -0.75 4.35 4.14 2f3oA1 LEU 131 HB2 0.00 0.20 0.06 -0.04 1.64 1.86 2f3oA1 LEU 131 HB3 0.01 -0.08 0.05 -0.04 1.64 1.58 2f3oA1 LEU 131 HG -0.09 0.03 -0.05 -0.04 1.64 1.49 2f3oA1 LEU 131 HD13 0.16 -0.01 -0.03 -0.04 0.93 1.01 2f3oA1 LEU 131 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.84 2f3oA1 MET 132 H -0.18 0.39 -0.10 -0.55 8.47 8.02 2f3oA1 MET 132 HA -0.13 0.12 0.50 -0.75 4.52 4.25 2f3oA1 MET 132 HB2 -0.12 -0.19 0.19 -0.04 2.15 1.99 2f3oA1 MET 132 HB3 -0.08 0.14 -0.00 -0.04 2.03 2.05 2f3oA1 MET 132 HG2 -0.07 0.38 -0.07 -0.04 2.63 2.83 2f3oA1 MET 132 HG3 -0.12 -0.16 0.02 -0.04 2.56 2.26 2f3oA1 MET 132 HE3 -0.07 -0.05 -0.03 -0.04 2.10 1.91 2f3oA1 PRO 133 HA -0.93 0.07 0.25 -0.51 4.44 3.32 2f3oA1 PRO 133 HB2 -0.28 -0.01 0.02 -0.04 2.28 1.98 2f3oA1 PRO 133 HB3 -0.71 0.09 0.07 -0.04 2.02 1.43 2f3oA1 PRO 133 HG2 -0.16 -0.04 0.07 -0.04 2.03 1.86 2f3oA1 PRO 133 HG3 -0.17 0.12 0.07 -0.04 2.03 2.00 2f3oA1 PRO 133 HD2 -0.16 0.05 -0.01 -0.04 3.68 3.53 2f3oA1 PRO 133 HD3 -0.22 0.32 -0.18 -0.04 3.65 3.53 2f3oA1 ASP 134 H -0.17 0.19 -0.15 -0.55 8.40 7.72 2f3oA1 ASP 134 HA -0.12 0.09 0.41 -0.75 4.63 4.26 2f3oA1 ASP 134 HB2 -0.09 0.04 0.06 -0.04 2.71 2.68 2f3oA1 ASP 134 HB3 -0.08 0.02 0.08 -0.04 2.70 2.68 2f3oA1 ILE 135 H -0.15 0.25 -0.36 -0.55 8.25 7.43 2f3oA1 ILE 135 HA -0.08 0.10 0.59 -0.75 4.18 4.03 2f3oA1 ILE 135 HB -0.10 0.10 0.13 -0.04 1.89 1.99 2f3oA1 ILE 135 HG12 -0.08 0.01 -0.05 -0.04 1.49 1.32 2f3oA1 ILE 135 HG13 -0.10 -0.04 -0.00 -0.04 1.21 1.02 2f3oA1 ILE 135 HG23 0.02 -0.01 -0.07 -0.04 0.93 0.83 2f3oA1 ILE 135 HD13 -0.13 0.04 0.03 -0.04 0.88 0.79 2f3oA1 MET 136 H -0.17 0.54 0.04 -0.55 8.47 8.33 2f3oA1 MET 136 HA -0.23 -0.02 0.39 -0.75 4.52 3.91 2f3oA1 MET 136 HB2 -0.03 0.13 0.09 -0.04 2.15 2.30 2f3oA1 MET 136 HB3 0.12 -0.04 0.04 -0.04 2.03 2.11 2f3oA1 MET 136 HG2 -0.17 0.22 0.08 -0.04 2.63 2.72 2f3oA1 MET 136 HG3 -0.01 0.00 -0.03 -0.04 2.56 2.49 2f3oA1 MET 136 HE3 0.23 -0.00 -0.01 -0.04 2.10 2.28 2f3oA1 GLN 137 H -0.12 0.40 -0.37 -0.55 8.47 7.85 2f3oA1 GLN 137 HA 0.04 0.04 0.48 -0.75 4.36 4.17 2f3oA1 GLN 137 HB2 -0.03 0.11 0.11 -0.04 2.15 2.31 2f3oA1 GLN 137 HB3 -0.14 0.12 0.08 -0.04 2.02 2.05 2f3oA1 GLN 137 HG2 0.01 -0.04 0.02 -0.04 2.40 2.35 2f3oA1 GLN 137 HG3 0.05 -0.01 0.02 -0.04 2.39 2.40 2f3oA1 GLN 137 HE21 0.08 -0.00 -0.01 -0.04 6.97 7.00 2f3oA1 GLN 137 HE22 0.06 -0.01 -0.01 -0.04 7.69 7.68 2f3oA1 ILE 138 H -0.32 0.37 -0.16 -0.55 8.25 7.60 2f3oA1 ILE 138 HA -0.55 0.10 0.54 -0.75 4.18 3.52 2f3oA1 ILE 138 HB -1.68 -0.08 0.10 -0.04 1.89 0.19 2f3oA1 ILE 138 HG12 -0.29 0.14 0.04 -0.04 1.49 1.34 2f3oA1 ILE 138 HG13 -0.81 -0.12 -0.18 -0.04 1.21 0.06 2f3oA1 ILE 138 HG23 -0.96 0.10 0.07 -0.04 0.93 0.10 2f3oA1 ILE 138 HD13 -0.24 0.00 -0.00 -0.04 0.88 0.60 2f3oA1 LEU 139 H -0.27 0.55 -0.14 -0.55 8.37 7.97 2f3oA1 LEU 139 HA -0.40 0.06 0.56 -0.75 4.35 3.81 2f3oA1 LEU 139 HB2 -0.03 -0.03 0.04 -0.04 1.64 1.57 2f3oA1 LEU 139 HB3 -0.39 0.13 0.18 -0.04 1.64 1.51 2f3oA1 LEU 139 HG -0.47 0.03 -0.26 -0.04 1.64 0.90 2f3oA1 LEU 139 HD13 -0.02 0.02 0.09 -0.04 0.93 0.99 2f3oA1 LEU 139 HD23 -0.39 -0.00 0.01 -0.04 0.89 0.47 2f3oA1 TYR 140 H -0.17 0.44 -0.22 -0.55 8.29 7.78 2f3oA1 TYR 140 HA -0.09 0.02 0.24 -0.75 4.56 3.98 2f3oA1 TYR 140 HB2 -0.05 0.16 0.16 -0.04 3.06 3.29 2f3oA1 TYR 140 HB3 -0.05 -0.04 0.08 -0.04 2.98 2.94 2f3oA1 TYR 140 HD2 -0.01 0.02 -0.02 -0.04 7.15 7.10 2f3oA1 TYR 140 HE2 0.03 -0.04 -0.02 -0.04 6.85 6.78 2f3oA1 THR 141 H -0.15 0.22 -0.44 -0.55 8.28 7.35 2f3oA1 THR 141 HA -0.14 0.11 0.56 -0.75 4.39 4.16 2f3oA1 THR 141 HB -0.29 -0.01 0.14 -0.04 4.32 4.11 2f3oA1 THR 141 HG23 -0.35 0.06 0.07 -0.04 1.22 0.95 2f3oA1 GLY 142 H -0.14 0.47 -0.39 -0.55 8.43 7.83 2f3oA1 GLY 142 HA2 -0.08 0.04 0.25 -0.51 4.01 3.71 2f3oA1 GLY 142 HA3 -0.14 0.05 0.19 -0.51 4.01 3.60 2f3oA1 SER 143 H -0.12 0.03 -0.59 -0.55 8.46 7.24 2f3oA1 SER 143 HA 0.22 0.20 0.33 -0.75 4.49 4.48 2f3oA1 SER 143 HB2 0.13 -0.04 0.00 -0.04 3.95 4.00 2f3oA1 SER 143 HB3 0.04 0.12 0.02 -0.04 3.93 4.07 2f3oA1 VAL 144 H -0.23 0.08 -0.02 -0.55 8.24 7.53 2f3oA1 VAL 144 HA -0.25 0.18 0.98 -0.75 4.13 4.29 2f3oA1 VAL 144 HB 0.08 -0.01 -0.10 -0.04 2.12 2.05 2f3oA1 VAL 144 HG13 -0.50 0.00 0.01 -0.04 0.97 0.44 2f3oA1 VAL 144 HG23 0.19 0.00 -0.10 -0.04 0.95 1.01 2f3oA1 PHE 145 H -0.54 0.25 0.14 -0.55 8.34 7.63 2f3oA1 PHE 145 HA -0.01 0.11 0.68 -0.75 4.62 4.65 2f3oA1 PHE 145 HB2 0.02 0.06 0.00 -0.04 3.15 3.19 2f3oA1 PHE 145 HB3 -0.04 0.01 0.03 -0.04 3.06 3.01 2f3oA1 PHE 145 HD2 -0.05 -0.01 -0.32 -0.04 7.28 6.86 2f3oA1 PHE 145 HE2 -0.11 0.02 -0.11 -0.04 7.38 7.13 2f3oA1 PHE 145 HZ -0.17 0.02 -0.09 -0.04 7.32 7.03 2f3oA1 VAL 146 H 0.41 0.42 0.28 -0.55 8.24 8.80 2f3oA1 VAL 146 HA 0.14 0.21 0.67 -0.75 4.13 4.40 2f3oA1 VAL 146 HB -0.10 0.10 0.11 -0.04 2.12 2.19 2f3oA1 VAL 146 HG13 -0.08 -0.01 -0.06 -0.04 0.97 0.77 2f3oA1 VAL 146 HG23 0.11 -0.02 -0.21 -0.04 0.95 0.80 2f3oA1 LEU 147 H 0.08 0.22 0.07 -0.55 8.37 8.19 2f3oA1 LEU 147 HA 0.03 0.26 0.99 -0.75 4.35 4.88 2f3oA1 LEU 147 HB2 0.03 -0.01 0.13 -0.04 1.64 1.74 2f3oA1 LEU 147 HB3 -0.02 -0.06 0.00 -0.04 1.64 1.52 2f3oA1 LEU 147 HG -0.07 0.02 -0.09 -0.04 1.64 1.46 2f3oA1 LEU 147 HD13 -0.15 0.01 -0.13 -0.04 0.93 0.62 2f3oA1 LEU 147 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.73 2f3oA1 THR 148 H 0.00 0.63 0.15 -0.55 8.28 8.52 2f3oA1 THR 148 HA -0.01 0.08 0.38 -0.75 4.39 4.09 2f3oA1 THR 148 HB 0.01 -0.07 0.07 -0.04 4.32 4.29 2f3oA1 THR 148 HG23 0.06 -0.00 -0.16 -0.04 1.22 1.07 2f3oA1 GLU 149 H -0.05 0.18 -0.13 -0.55 8.60 8.06 2f3oA1 GLU 149 HA -0.12 0.44 0.45 -0.75 4.29 4.30 2f3oA1 GLU 149 HB2 -0.05 -0.02 0.00 -0.04 2.09 1.98 2f3oA1 GLU 149 HB3 -0.07 0.01 0.01 -0.04 1.99 1.90 2f3oA1 GLU 149 HG2 -0.08 0.05 -0.02 -0.04 2.34 2.24 2f3oA1 GLU 149 HG3 -0.07 -0.01 0.06 -0.04 2.34 2.27 2f3oA1 ILE 150 H -0.06 0.18 -0.59 -0.55 8.25 7.23 2f3oA1 ILE 150 HA -0.04 0.04 0.42 -0.75 4.18 3.84 2f3oA1 ILE 150 HB -0.03 0.03 -0.02 -0.04 1.89 1.82 2f3oA1 ILE 150 HG12 -0.03 -0.07 -0.04 -0.04 1.49 1.31 2f3oA1 ILE 150 HG13 -0.02 0.08 0.05 -0.04 1.21 1.28 2f3oA1 ILE 150 HG23 0.03 -0.01 -0.05 -0.04 0.93 0.85 2f3oA1 ILE 150 HD13 0.00 -0.01 -0.02 -0.04 0.88 0.81 2f3oA1 ALA 151 H -0.20 0.55 -0.18 -0.55 8.40 8.02 2f3oA1 ALA 151 HA -0.23 -0.06 0.36 -0.75 4.34 3.66 2f3oA1 ALA 151 HB3 -0.37 0.03 0.07 -0.04 1.41 1.09 2f3oA1 GLY 152 H -0.31 0.24 -0.47 -0.55 8.43 7.35 2f3oA1 GLY 152 HA2 -0.20 0.09 0.26 -0.51 4.01 3.66 2f3oA1 GLY 152 HA3 -0.43 0.08 0.77 -0.51 4.01 3.92 2f3oA1 ILE 153 H 0.00 0.05 0.08 -0.55 8.25 7.84 2f3oA1 ILE 153 HA 0.02 0.26 0.93 -0.75 4.18 4.64 2f3oA1 ILE 153 HB 0.18 -0.09 0.10 -0.04 1.89 2.04 2f3oA1 ILE 153 HG12 0.03 -0.05 -0.07 -0.04 1.49 1.36 2f3oA1 ILE 153 HG13 0.14 0.03 -0.03 -0.04 1.21 1.31 2f3oA1 ILE 153 HG23 -0.36 0.06 -0.15 -0.04 0.93 0.44 2f3oA1 ILE 153 HD13 -0.05 0.05 -0.17 -0.04 0.88 0.67 2f3oA1 SER 154 H 0.15 -0.00 0.06 -0.55 8.46 8.12 2f3oA1 SER 154 HA 0.07 -0.02 0.23 -0.75 4.49 4.02 2f3oA1 SER 154 HB2 -0.07 0.13 -0.12 -0.04 3.95 3.85 2f3oA1 SER 154 HB3 -0.24 0.04 0.14 -0.04 3.93 3.83 2f3oA1 HIS 155 H -0.30 0.54 0.11 -0.55 8.41 8.21 2f3oA1 HIS 155 HA -0.05 0.12 0.26 -0.75 4.63 4.21 2f3oA1 HIS 155 HB2 -0.09 0.05 -0.14 -0.04 3.26 3.05 2f3oA1 HIS 155 HB3 -0.03 -0.13 0.09 -0.04 3.20 3.08 2f3oA1 HIS 155 HD2 -0.01 -0.04 -0.17 -0.04 6.97 6.71 2f3oA1 HIS 155 HE1 0.07 0.01 -0.13 -0.04 7.75 7.66 2f3oA1 VAL 156 H 0.01 0.30 -0.04 -0.55 8.24 7.95 2f3oA1 VAL 156 HA 0.10 0.07 0.54 -0.75 4.13 4.09 2f3oA1 VAL 156 HB 0.21 0.07 -0.10 -0.04 2.12 2.25 2f3oA1 VAL 156 HG13 0.18 -0.03 -0.25 -0.04 0.97 0.83 2f3oA1 VAL 156 HG23 0.16 0.01 -0.18 -0.04 0.95 0.91 2f3oA1 ALA 157 H 0.13 0.17 -0.02 -0.55 8.40 8.13 2f3oA1 ALA 157 HA 0.12 0.07 0.82 -0.75 4.34 4.60 2f3oA1 ALA 157 HB3 0.22 0.03 -0.01 -0.04 1.41 1.61 2f3oA1 VAL 158 H 0.07 0.57 0.20 -0.55 8.24 8.54 2f3oA1 VAL 158 HA -0.09 0.07 0.38 -0.75 4.13 3.73 2f3oA1 VAL 158 HB -0.37 0.01 0.15 -0.04 2.12 1.86 2f3oA1 VAL 158 HG13 -0.63 -0.02 -0.20 -0.04 0.97 0.07 2f3oA1 VAL 158 HG23 -0.04 0.03 0.04 -0.04 0.95 0.94 2f3oA1 ASN 159 H -0.18 0.61 0.30 -0.55 8.53 8.71 2f3oA1 ASN 159 HA -0.41 0.04 0.63 -0.75 4.76 4.27 2f3oA1 ASN 159 HB2 -0.24 0.11 0.38 -0.04 2.88 3.08 2f3oA1 ASN 159 HB3 -0.14 0.06 0.30 -0.04 2.79 2.97 2f3oA1 ASN 159 HD21 -0.20 -0.03 0.02 -0.04 7.03 6.78 2f3oA1 ASN 159 HD22 -0.28 0.31 0.19 -0.04 7.74 7.93 2f3oA1 TYR 160 H -0.08 0.51 0.13 -0.55 8.29 8.30 2f3oA1 TYR 160 HA -0.06 0.06 0.56 -0.75 4.56 4.37 2f3oA1 TYR 160 HB2 -0.55 0.08 0.13 -0.04 3.06 2.67 2f3oA1 TYR 160 HB3 -0.38 -0.04 0.01 -0.04 2.98 2.52 2f3oA1 TYR 160 HD2 0.19 0.07 0.06 -0.04 7.15 7.43 2f3oA1 TYR 160 HE2 0.18 0.02 -0.01 -0.04 6.85 7.00 2f3oA1 PRO 161 HA -0.09 0.10 0.50 -0.51 4.44 4.45 2f3oA1 PRO 161 HB2 0.02 0.08 -0.07 -0.04 2.28 2.26 2f3oA1 PRO 161 HB3 0.07 0.03 0.07 -0.04 2.02 2.16 2f3oA1 PRO 161 HG2 -0.14 0.06 -0.02 -0.04 2.03 1.89 2f3oA1 PRO 161 HG3 0.24 0.05 0.02 -0.04 2.03 2.30 2f3oA1 PRO 161 HD2 -0.18 0.05 0.07 -0.04 3.68 3.58 2f3oA1 PRO 161 HD3 -0.40 0.11 0.08 -0.04 3.65 3.40 2f3oA1 TYR 162 H 0.00 0.18 -0.39 -0.55 8.29 7.52 2f3oA1 TYR 162 HA -0.11 0.06 0.46 -0.75 4.56 4.22 2f3oA1 TYR 162 HB2 -0.11 -0.05 0.07 -0.04 3.06 2.93 2f3oA1 TYR 162 HB3 -0.09 0.22 0.10 -0.04 2.98 3.16 2f3oA1 TYR 162 HD2 -0.02 0.05 -0.03 -0.04 7.15 7.12 2f3oA1 TYR 162 HE2 0.16 0.04 -0.01 -0.04 6.85 7.00 2f3oA1 LEU 163 H 0.02 0.33 -0.14 -0.55 8.37 8.04 2f3oA1 LEU 163 HA 0.01 0.04 0.37 -0.75 4.35 4.02 2f3oA1 LEU 163 HB2 0.16 0.09 0.20 -0.04 1.64 2.04 2f3oA1 LEU 163 HB3 0.43 -0.04 0.01 -0.04 1.64 1.99 2f3oA1 LEU 163 HG 0.05 0.19 0.04 -0.04 1.64 1.87 2f3oA1 LEU 163 HD13 0.16 -0.02 -0.11 -0.04 0.93 0.91 2f3oA1 LEU 163 HD23 -0.24 -0.01 -0.15 -0.04 0.89 0.45 2f3oA1 LEU 164 H -0.16 0.62 -0.05 -0.55 8.37 8.23 2f3oA1 LEU 164 HA -0.65 0.03 0.20 -0.75 4.35 3.18 2f3oA1 LEU 164 HB2 -0.09 0.03 0.05 -0.04 1.64 1.58 2f3oA1 LEU 164 HB3 -0.10 -0.01 0.07 -0.04 1.64 1.55 2f3oA1 LEU 164 HG -0.37 0.08 0.04 -0.04 1.64 1.35 2f3oA1 LEU 164 HD13 -0.08 -0.03 -0.16 -0.04 0.93 0.61 2f3oA1 LEU 164 HD23 -0.87 -0.01 0.02 -0.04 0.89 -0.01 2f3oA1 ARG 165 H -0.18 0.26 -0.62 -0.55 8.46 7.36 2f3oA1 ARG 165 HA -0.11 0.10 0.69 -0.75 4.34 4.27 2f3oA1 ARG 165 HB2 -0.21 0.13 0.08 -0.04 1.90 1.86 2f3oA1 ARG 165 HB3 -0.21 -0.06 0.13 -0.04 1.80 1.62 2f3oA1 ARG 165 HG2 -0.06 -0.03 0.01 -0.04 1.67 1.55 2f3oA1 ARG 165 HG3 -0.05 0.05 -0.02 -0.04 1.67 1.60 2f3oA1 ARG 165 HD2 -0.08 -0.03 0.01 -0.04 3.22 3.08 2f3oA1 ARG 165 HD3 -0.03 -0.07 -0.01 -0.04 3.22 3.07 2f3oA1 ARG 166 H -0.22 0.34 -0.26 -0.55 8.46 7.77 2f3oA1 ARG 166 HA -0.53 0.13 0.97 -0.75 4.34 4.16 2f3oA1 ARG 166 HB2 -0.53 0.10 0.15 -0.04 1.90 1.57 2f3oA1 ARG 166 HB3 -0.70 -0.00 0.00 -0.04 1.80 1.06 2f3oA1 ARG 166 HG2 -2.61 -0.07 -0.01 -0.04 1.67 -1.07 2f3oA1 ARG 166 HG3 -1.09 0.08 -0.26 -0.04 1.67 0.36 2f3oA1 ARG 166 HD2 -1.13 0.04 -0.05 -0.04 3.22 2.03 2f3oA1 ARG 166 HD3 -1.57 -0.08 -0.06 -0.04 3.22 1.47 2f3oA1 GLY 167 H 0.06 0.56 0.22 -0.55 8.43 8.73 2f3oA1 GLY 167 HA2 0.56 0.11 0.24 -0.51 4.01 4.40 2f3oA1 GLY 167 HA3 0.27 0.10 0.26 -0.51 4.01 4.12 2f3oA1 PHE 168 H 0.46 0.54 0.37 -0.55 8.34 9.17 2f3oA1 PHE 168 HA 0.51 0.02 0.29 -0.75 4.62 4.69 2f3oA1 PHE 168 HB2 0.03 0.12 0.05 -0.04 3.15 3.30 2f3oA1 PHE 168 HB3 0.06 -0.01 0.12 -0.04 3.06 3.19 2f3oA1 PHE 168 HD2 -0.07 0.14 0.09 -0.04 7.28 7.41 2f3oA1 PHE 168 HE2 -0.08 -0.01 -0.04 -0.04 7.38 7.21 2f3oA1 PHE 168 HZ -0.09 -0.01 -0.06 -0.04 7.32 7.11 2f3oA1 ARG 169 H 0.23 0.61 0.07 -0.55 8.46 8.82 2f3oA1 ARG 169 HA 0.12 0.05 0.60 -0.75 4.34 4.36 2f3oA1 ARG 169 HB2 0.12 0.06 0.13 -0.04 1.90 2.17 2f3oA1 ARG 169 HB3 0.12 0.06 -0.00 -0.04 1.80 1.94 2f3oA1 ARG 169 HG2 0.05 -0.07 0.10 -0.04 1.67 1.71 2f3oA1 ARG 169 HG3 0.06 0.01 0.05 -0.04 1.67 1.74 2f3oA1 ARG 169 HD2 0.04 -0.01 -0.00 -0.04 3.22 3.20 2f3oA1 ARG 169 HD3 0.06 0.04 -0.02 -0.04 3.22 3.25 2f3oA1 TRP 170 H 0.25 0.42 -0.30 -0.55 7.97 7.80 2f3oA1 TRP 170 HA -0.09 0.05 0.52 -0.75 4.62 4.34 2f3oA1 TRP 170 HB2 -0.17 0.20 0.11 -0.04 3.23 3.32 2f3oA1 TRP 170 HB3 -0.48 0.13 0.00 -0.04 3.23 2.84 2f3oA1 TRP 170 HD1 -0.11 0.00 0.05 -0.04 7.22 7.12 2f3oA1 TRP 170 HE1 -0.10 -0.01 0.01 -0.04 10.20 10.06 2f3oA1 TRP 170 HE3 -1.76 0.03 -0.23 -0.04 7.59 5.59 2f3oA1 TRP 170 HZ2 -0.06 -0.00 -0.03 -0.04 7.44 7.31 2f3oA1 TRP 170 HZ3 -0.55 -0.02 -0.10 -0.04 7.13 6.43 2f3oA1 TRP 170 HH2 0.10 -0.01 -0.06 -0.04 7.19 7.18 2f3oA1 PHE 171 H 0.20 0.29 -0.19 -0.55 8.34 8.08 2f3oA1 PHE 171 HA -0.34 0.03 0.27 -0.75 4.62 3.82 2f3oA1 PHE 171 HB2 -0.08 0.12 0.12 -0.04 3.15 3.27 2f3oA1 PHE 171 HB3 -0.21 -0.01 -0.03 -0.04 3.06 2.76 2f3oA1 PHE 171 HD2 -0.98 0.00 -0.09 -0.04 7.28 6.18 2f3oA1 PHE 171 HE2 -0.37 -0.03 -0.06 -0.04 7.38 6.87 2f3oA1 PHE 171 HZ -0.50 0.03 -0.11 -0.04 7.32 6.70 2f3oA1 LEU 172 H 0.12 0.42 -0.27 -0.55 8.37 8.09 2f3oA1 LEU 172 HA 0.06 0.03 0.35 -0.75 4.35 4.03 2f3oA1 LEU 172 HB2 0.09 0.04 0.10 -0.04 1.64 1.83 2f3oA1 LEU 172 HB3 0.05 0.07 0.17 -0.04 1.64 1.90 2f3oA1 LEU 172 HG 0.01 -0.01 -0.18 -0.04 1.64 1.41 2f3oA1 LEU 172 HD13 0.03 0.00 0.06 -0.04 0.93 0.97 2f3oA1 LEU 172 HD23 0.04 -0.00 -0.02 -0.04 0.89 0.86 2f3oA1 GLU 173 H -0.09 0.50 -0.21 -0.55 8.60 8.25 2f3oA1 GLU 173 HA -0.09 0.02 0.42 -0.75 4.29 3.88 2f3oA1 GLU 173 HB2 -0.22 0.14 0.17 -0.04 2.09 2.14 2f3oA1 GLU 173 HB3 -0.15 -0.07 0.03 -0.04 1.99 1.77 2f3oA1 GLU 173 HG2 -0.04 -0.06 0.04 -0.04 2.34 2.24 2f3oA1 GLU 173 HG3 -0.03 0.07 0.11 -0.04 2.34 2.45 2f3oA1 GLU 174 H -0.45 0.61 -0.17 -0.55 8.60 8.03 2f3oA1 GLU 174 HA -0.39 0.01 0.49 -0.75 4.29 3.64 2f3oA1 GLU 174 HB2 -1.64 0.09 0.08 -0.04 2.09 0.58 2f3oA1 GLU 174 HB3 -0.59 0.03 0.06 -0.04 1.99 1.46 2f3oA1 GLU 174 HG2 -0.70 -0.00 -0.04 -0.04 2.34 1.56 2f3oA1 GLU 174 HG3 -0.28 -0.01 -0.08 -0.04 2.34 1.92 2f3oA1 SER 175 H -0.03 0.75 -0.08 -0.55 8.46 8.55 2f3oA1 SER 175 HA -0.18 -0.00 0.43 -0.75 4.49 3.98 2f3oA1 SER 175 HB2 0.06 0.15 0.15 -0.04 3.95 4.26 2f3oA1 SER 175 HB3 0.10 0.02 0.07 -0.04 3.93 4.08 2f3oA1 GLU 176 H -0.08 0.46 -0.28 -0.55 8.60 8.16 2f3oA1 GLU 176 HA -0.04 0.00 0.51 -0.75 4.29 4.00 2f3oA1 GLU 176 HB2 -0.06 0.11 0.20 -0.04 2.09 2.30 2f3oA1 GLU 176 HB3 -0.05 -0.04 0.00 -0.04 1.99 1.86 2f3oA1 GLU 176 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.26 2f3oA1 GLU 176 HG3 -0.02 -0.01 0.02 -0.04 2.34 2.29 2f3oA1 ARG 177 H -0.14 0.55 -0.06 -0.55 8.46 8.25 2f3oA1 ARG 177 HA -0.07 0.00 0.49 -0.75 4.34 4.00 2f3oA1 ARG 177 HB2 -0.17 0.11 0.18 -0.04 1.90 1.98 2f3oA1 ARG 177 HB3 -0.10 -0.06 0.06 -0.04 1.80 1.65 2f3oA1 ARG 177 HG2 -0.08 -0.06 0.06 -0.04 1.67 1.55 2f3oA1 ARG 177 HG3 -0.12 0.19 0.11 -0.04 1.67 1.80 2f3oA1 ARG 177 HD2 -0.17 0.01 0.02 -0.04 3.22 3.04 2f3oA1 ARG 177 HD3 -0.08 -0.04 0.01 -0.04 3.22 3.07 2f3oA1 ARG 178 H -0.23 0.59 -0.17 -0.55 8.46 8.10 2f3oA1 ARG 178 HA -0.17 -0.01 0.39 -0.75 4.34 3.80 2f3oA1 ARG 178 HB2 -0.75 0.09 0.13 -0.04 1.90 1.33 2f3oA1 ARG 178 HB3 -0.70 -0.04 0.00 -0.04 1.80 1.02 2f3oA1 ARG 178 HG2 -0.29 -0.06 0.00 -0.04 1.67 1.28 2f3oA1 ARG 178 HG3 -0.35 0.09 0.05 -0.04 1.67 1.43 2f3oA1 ARG 178 HD2 -1.08 -0.02 -0.09 -0.04 3.22 1.99 2f3oA1 ARG 178 HD3 -0.60 0.04 -0.03 -0.04 3.22 2.59 2f3oA1 ILE 179 H -0.09 0.66 -0.08 -0.55 8.25 8.19 2f3oA1 ILE 179 HA 0.16 0.01 0.60 -0.75 4.18 4.20 2f3oA1 ILE 179 HB -0.00 0.10 0.17 -0.04 1.89 2.11 2f3oA1 ILE 179 HG12 -0.11 -0.06 -0.03 -0.04 1.49 1.25 2f3oA1 ILE 179 HG13 0.02 0.10 0.01 -0.04 1.21 1.29 2f3oA1 ILE 179 HG23 0.09 -0.02 -0.10 -0.04 0.93 0.86 2f3oA1 ILE 179 HD13 -0.04 -0.00 -0.25 -0.04 0.88 0.55 2f3oA1 ARG 180 H -0.01 0.54 -0.15 -0.55 8.46 8.29 2f3oA1 ARG 180 HA 0.04 0.01 0.42 -0.75 4.34 4.05 2f3oA1 ARG 180 HB2 -0.02 0.20 0.24 -0.04 1.90 2.28 2f3oA1 ARG 180 HB3 -0.01 -0.04 -0.03 -0.04 1.80 1.69 2f3oA1 ARG 180 HG2 0.00 -0.05 0.04 -0.04 1.67 1.62 2f3oA1 ARG 180 HG3 0.01 -0.03 0.05 -0.04 1.67 1.66 2f3oA1 ARG 180 HD2 -0.01 -0.05 0.00 -0.04 3.22 3.13 2f3oA1 ARG 180 HD3 -0.02 0.06 0.00 -0.04 3.22 3.22 2f3oA1 ALA 181 H -0.02 0.52 -0.09 -0.55 8.40 8.26 2f3oA1 ALA 181 HA -0.01 0.02 0.37 -0.75 4.34 3.97 2f3oA1 ALA 181 HB3 -0.03 0.03 0.09 -0.04 1.41 1.46 2f3oA1 LEU 182 H 0.04 0.37 -0.50 -0.55 8.37 7.73 2f3oA1 LEU 182 HA -0.03 0.04 0.49 -0.75 4.35 4.09 2f3oA1 LEU 182 HB2 0.19 0.20 0.21 -0.04 1.64 2.20 2f3oA1 LEU 182 HB3 0.01 -0.12 -0.01 -0.04 1.64 1.48 2f3oA1 LEU 182 HG 0.06 0.13 0.02 -0.04 1.64 1.81 2f3oA1 LEU 182 HD13 0.28 -0.01 -0.13 -0.04 0.93 1.03 2f3oA1 LEU 182 HD23 -0.07 -0.03 0.01 -0.04 0.89 0.76 2f3oA1 GLU 183 H 0.03 0.52 -0.07 -0.55 8.60 8.53 2f3oA1 GLU 183 HA -0.11 -0.02 0.50 -0.75 4.29 3.91 2f3oA1 GLU 183 HB2 0.03 0.17 0.21 -0.04 2.09 2.46 2f3oA1 GLU 183 HB3 0.00 -0.04 0.02 -0.04 1.99 1.93 2f3oA1 GLU 183 HG2 -0.02 -0.04 0.02 -0.04 2.34 2.27 2f3oA1 GLU 183 HG3 0.05 -0.01 0.05 -0.04 2.34 2.40 2f3oA1 GLU 184 H 0.00 0.41 -0.26 -0.55 8.60 8.20 2f3oA1 GLU 184 HA 0.00 0.05 0.45 -0.75 4.29 4.04 2f3oA1 GLU 184 HB2 0.00 0.09 0.13 -0.04 2.09 2.27 2f3oA1 GLU 184 HB3 0.01 0.02 0.01 -0.04 1.99 1.99 2f3oA1 GLU 184 HG2 0.00 -0.03 0.02 -0.04 2.34 2.29 2f3oA1 GLU 184 HG3 0.00 -0.02 0.09 -0.04 2.34 2.37 2f3oA1 SER 185 H 0.01 0.28 -0.38 -0.55 8.46 7.83 2f3oA1 SER 185 HA 0.06 0.15 0.73 -0.75 4.49 4.68 2f3oA1 SER 185 HB2 0.30 -0.08 0.21 -0.04 3.95 4.33 2f3oA1 SER 185 HB3 0.10 -0.01 0.09 -0.04 3.93 4.07 2f3oA1 GLY 186 H -0.00 0.37 -0.54 -0.55 8.43 7.71 2f3oA1 GLY 186 HA2 -0.01 0.08 0.24 -0.51 4.01 3.81 2f3oA1 GLY 186 HA3 0.04 0.04 0.11 -0.51 4.01 3.68 2f3oA1 VAL 187 H -0.08 0.51 -0.14 -0.55 8.24 7.98 2f3oA1 VAL 187 HA -0.23 -0.04 0.20 -0.75 4.13 3.31 2f3oA1 VAL 187 HB -0.23 0.13 0.01 -0.04 2.12 1.99 2f3oA1 VAL 187 HG13 -0.52 -0.02 -0.06 -0.04 0.97 0.32 2f3oA1 VAL 187 HG23 -0.53 -0.01 -0.20 -0.04 0.95 0.16 2f3oA1 TYR 188 H -0.00 0.24 -0.11 -0.55 8.29 7.87 2f3oA1 TYR 188 HA -0.03 0.19 0.72 -0.75 4.56 4.68 2f3oA1 TYR 188 HB2 -0.02 -0.03 0.14 -0.04 3.06 3.11 2f3oA1 TYR 188 HB3 -0.03 0.09 0.06 -0.04 2.98 3.06 2f3oA1 TYR 188 HD2 -0.02 0.15 -0.01 -0.04 7.15 7.23 2f3oA1 TYR 188 HE2 -0.01 0.01 0.02 -0.04 6.85 6.83 2f3oA1 GLU 189 H -0.42 0.07 -0.28 -0.55 8.60 7.43 2f3oA1 GLU 189 HA -0.14 0.18 0.68 -0.75 4.29 4.26 2f3oA1 GLU 189 HB2 -0.32 0.01 0.13 -0.04 2.09 1.87 2f3oA1 GLU 189 HB3 -0.16 -0.06 0.17 -0.04 1.99 1.91 2f3oA1 GLU 189 HG2 -0.24 0.05 0.01 -0.04 2.34 2.11 2f3oA1 GLU 189 HG3 -1.13 -0.03 -0.11 -0.04 2.34 1.03 2f3oA1 GLY 190 H -0.02 0.43 -0.34 -0.55 8.43 7.95 2f3oA1 GLY 190 HA2 0.05 0.08 0.26 -0.51 4.01 3.89 2f3oA1 GLY 190 HA3 0.03 0.13 0.28 -0.51 4.01 3.94 2f3oA1 GLU 191 H 0.01 0.14 -0.16 -0.55 8.60 8.05 2f3oA1 GLU 191 HA 0.04 0.05 0.40 -0.75 4.29 4.03 2f3oA1 GLU 191 HB2 -0.01 -0.01 0.12 -0.04 2.09 2.16 2f3oA1 GLU 191 HB3 -0.03 0.11 -0.02 -0.04 1.99 2.02 2f3oA1 GLU 191 HG2 0.02 0.01 0.04 -0.04 2.34 2.36 2f3oA1 GLU 191 HG3 0.03 -0.03 0.04 -0.04 2.34 2.34 2f3oA1 LYS 192 H -0.03 0.09 -0.09 -0.55 8.42 7.83 2f3oA1 LYS 192 HA -0.16 0.31 0.54 -0.75 4.32 4.26 2f3oA1 LYS 192 HB2 -0.05 -0.02 0.15 -0.04 1.87 1.90 2f3oA1 LYS 192 HB3 0.03 -0.01 -0.04 -0.04 1.79 1.73 2f3oA1 LYS 192 HG2 -0.20 0.17 0.15 -0.04 1.46 1.53 2f3oA1 LYS 192 HG3 -0.11 -0.05 0.06 -0.04 1.46 1.32 2f3oA1 LYS 192 HD2 -0.06 -0.09 0.02 -0.04 1.69 1.52 2f3oA1 LYS 192 HD3 0.06 -0.04 -0.02 -0.04 1.68 1.64 2f3oA1 LYS 192 HE2 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2f3oA1 LYS 192 HE3 -0.09 0.37 -0.04 -0.04 2.99 3.19 2f3oA1 TYR 193 H 0.15 0.39 -0.34 -0.55 8.29 7.95 2f3oA1 TYR 193 HA 0.10 0.03 0.49 -0.75 4.56 4.43 2f3oA1 TYR 193 HB2 -0.00 0.02 0.02 -0.04 3.06 3.06 2f3oA1 TYR 193 HB3 0.01 0.17 0.17 -0.04 2.98 3.28 2f3oA1 TYR 193 HD2 0.03 0.01 -0.00 -0.04 7.15 7.15 2f3oA1 TYR 193 HE2 0.02 0.05 0.00 -0.04 6.85 6.88 2f3oA1 SER 194 H 0.13 0.69 0.10 -0.55 8.46 8.83 2f3oA1 SER 194 HA -0.05 -0.00 0.47 -0.75 4.49 4.15 2f3oA1 SER 194 HB2 0.05 0.19 0.17 -0.04 3.95 4.32 2f3oA1 SER 194 HB3 0.02 -0.15 0.02 -0.04 3.93 3.77 2f3oA1 PHE 195 H 0.09 0.52 -0.35 -0.55 8.34 8.05 2f3oA1 PHE 195 HA -0.10 -0.06 0.36 -0.75 4.62 4.07 2f3oA1 PHE 195 HB2 -0.19 0.02 0.02 -0.04 3.15 2.96 2f3oA1 PHE 195 HB3 -0.43 0.27 0.19 -0.04 3.06 3.04 2f3oA1 PHE 195 HD2 -0.70 -0.01 -0.22 -0.04 7.28 6.31 2f3oA1 PHE 195 HE2 -0.06 -0.06 -0.22 -0.04 7.38 7.00 2f3oA1 PHE 195 HZ 0.10 -0.05 -0.41 -0.04 7.32 6.91 2f3oA1 TYR 196 H 0.01 0.62 0.03 -0.55 8.29 8.40 2f3oA1 TYR 196 HA -0.01 -0.04 0.47 -0.75 4.56 4.23 2f3oA1 TYR 196 HB2 0.00 0.11 0.14 -0.04 3.06 3.27 2f3oA1 TYR 196 HB3 -0.00 -0.00 0.07 -0.04 2.98 3.01 2f3oA1 TYR 196 HD2 0.09 -0.05 -0.03 -0.04 7.15 7.13 2f3oA1 TYR 196 HE2 -0.44 0.01 -0.03 -0.04 6.85 6.35 2f3oA1 GLN 197 H -0.10 0.63 -0.22 -0.55 8.47 8.23 2f3oA1 GLN 197 HA -0.10 0.01 0.49 -0.75 4.36 4.01 2f3oA1 GLN 197 HB2 -0.14 0.13 0.13 -0.04 2.15 2.23 2f3oA1 GLN 197 HB3 -0.12 -0.06 -0.00 -0.04 2.02 1.80 2f3oA1 GLN 197 HG2 -0.60 0.24 0.01 -0.04 2.40 2.02 2f3oA1 GLN 197 HG3 -0.35 -0.05 -0.03 -0.04 2.39 1.92 2f3oA1 GLN 197 HE21 -0.19 -0.02 -0.02 -0.04 6.97 6.69 2f3oA1 GLN 197 HE22 -1.18 0.01 -0.03 -0.04 7.69 6.45 2f3oA1 ALA 198 H -0.13 0.50 -0.26 -0.55 8.40 7.97 2f3oA1 ALA 198 HA -0.08 0.01 0.46 -0.75 4.34 3.98 2f3oA1 ALA 198 HB3 -0.16 0.01 0.02 -0.04 1.41 1.24 2f3oA1 ALA 199 H -0.25 0.68 -0.02 -0.55 8.40 8.26 2f3oA1 ALA 199 HA -0.11 -0.03 0.24 -0.75 4.34 3.69 2f3oA1 ALA 199 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 2f3oA1 LYS 200 H 0.03 0.67 -0.15 -0.55 8.42 8.42 2f3oA1 LYS 200 HA 0.05 -0.03 0.40 -0.75 4.32 4.00 2f3oA1 LYS 200 HB2 0.02 0.07 0.10 -0.04 1.87 2.02 2f3oA1 LYS 200 HB3 -0.01 0.14 0.16 -0.04 1.79 2.03 2f3oA1 LYS 200 HG2 0.00 -0.03 -0.28 -0.04 1.46 1.11 2f3oA1 LYS 200 HG3 0.01 -0.02 0.00 -0.04 1.46 1.41 2f3oA1 LYS 200 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.58 2f3oA1 LYS 200 HD3 -0.03 0.05 0.01 -0.04 1.68 1.67 2f3oA1 LYS 200 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 2f3oA1 LYS 200 HE3 -0.01 -0.01 -0.07 -0.04 2.99 2.86 2f3oA1 ILE 201 H -0.02 0.48 -0.08 -0.55 8.25 8.08 2f3oA1 ILE 201 HA -0.01 -0.01 0.43 -0.75 4.18 3.84 2f3oA1 ILE 201 HB -0.03 0.14 0.18 -0.04 1.89 2.14 2f3oA1 ILE 201 HG12 -0.02 -0.06 0.04 -0.04 1.49 1.42 2f3oA1 ILE 201 HG13 -0.03 0.13 0.14 -0.04 1.21 1.42 2f3oA1 ILE 201 HG23 -0.01 -0.01 -0.25 -0.04 0.93 0.61 2f3oA1 ILE 201 HD13 -0.03 -0.02 -0.02 -0.04 0.88 0.77 2f3oA1 VAL 202 H -0.03 0.72 -0.14 -0.55 8.24 8.25 2f3oA1 VAL 202 HA -0.03 0.02 0.36 -0.75 4.13 3.73 2f3oA1 VAL 202 HB -0.05 0.23 0.02 -0.04 2.12 2.28 2f3oA1 VAL 202 HG13 -0.02 -0.01 -0.22 -0.04 0.97 0.68 2f3oA1 VAL 202 HG23 -0.04 -0.05 0.01 -0.04 0.95 0.83 2f3oA1 SER 203 H 0.04 0.63 -0.15 -0.55 8.46 8.44 2f3oA1 SER 203 HA 0.19 -0.01 0.58 -0.75 4.49 4.50 2f3oA1 SER 203 HB2 0.11 0.11 0.17 -0.04 3.95 4.30 2f3oA1 SER 203 HB3 0.23 0.04 0.09 -0.04 3.93 4.25 2f3oA1 GLU 204 H 0.03 0.64 0.02 -0.55 8.60 8.75 2f3oA1 GLU 204 HA 0.03 -0.04 0.43 -0.75 4.29 3.95 2f3oA1 GLU 204 HB2 0.01 0.20 0.22 -0.04 2.09 2.47 2f3oA1 GLU 204 HB3 0.01 -0.03 -0.03 -0.04 1.99 1.90 2f3oA1 GLU 204 HG2 0.02 -0.05 0.03 -0.04 2.34 2.29 2f3oA1 GLU 204 HG3 0.03 -0.01 0.06 -0.04 2.34 2.37 2f3oA1 ALA 205 H -0.01 0.58 -0.14 -0.55 8.40 8.28 2f3oA1 ALA 205 HA -0.01 0.03 0.39 -0.75 4.34 3.99 2f3oA1 ALA 205 HB3 -0.05 0.06 0.04 -0.04 1.41 1.42 2f3oA1 VAL 206 H -0.11 0.39 -0.29 -0.55 8.24 7.68 2f3oA1 VAL 206 HA -0.13 0.06 0.35 -0.75 4.13 3.65 2f3oA1 VAL 206 HB -0.41 0.17 0.21 -0.04 2.12 2.05 2f3oA1 VAL 206 HG13 -1.01 -0.03 -0.12 -0.04 0.97 -0.23 2f3oA1 VAL 206 HG23 -0.40 -0.01 -0.00 -0.04 0.95 0.49 2f3oA1 ILE 207 H -0.05 0.58 -0.06 -0.55 8.25 8.16 2f3oA1 ILE 207 HA -0.03 -0.03 0.42 -0.75 4.18 3.78 2f3oA1 ILE 207 HB 0.02 0.13 0.16 -0.04 1.89 2.16 2f3oA1 ILE 207 HG12 0.08 -0.13 -0.06 -0.04 1.49 1.34 2f3oA1 ILE 207 HG13 0.07 0.15 -0.01 -0.04 1.21 1.37 2f3oA1 ILE 207 HG23 0.02 -0.01 -0.09 -0.04 0.93 0.81 2f3oA1 ILE 207 HD13 0.10 -0.02 -0.22 -0.04 0.88 0.69 2f3oA1 ASN 208 H 0.00 0.64 -0.09 -0.55 8.53 8.54 2f3oA1 ASN 208 HA 0.00 -0.03 0.40 -0.75 4.76 4.38 2f3oA1 ASN 208 HB2 0.02 0.17 0.11 -0.04 2.88 3.13 2f3oA1 ASN 208 HB3 0.01 -0.03 0.01 -0.04 2.79 2.74 2f3oA1 ASN 208 HD21 0.01 -0.07 -0.04 -0.04 7.03 6.88 2f3oA1 ASN 208 HD22 0.01 0.01 -0.05 -0.04 7.74 7.67 2f3oA1 TYR 209 H 0.10 0.33 -0.42 -0.55 8.29 7.75 2f3oA1 TYR 209 HA -0.03 0.10 0.41 -0.75 4.56 4.28 2f3oA1 TYR 209 HB2 -0.06 0.09 0.06 -0.04 3.06 3.11 2f3oA1 TYR 209 HB3 -0.09 0.07 0.16 -0.04 2.98 3.08 2f3oA1 TYR 209 HD2 -0.06 0.13 0.01 -0.04 7.15 7.19 2f3oA1 TYR 209 HE2 -0.02 0.05 -0.02 -0.04 6.85 6.83 2f3oA1 GLY 210 H 0.03 0.47 -0.06 -0.55 8.43 8.32 2f3oA1 GLY 210 HA2 -0.07 -0.01 0.62 -0.51 4.01 4.04 2f3oA1 GLY 210 HA3 -0.05 0.09 0.36 -0.51 4.01 3.91 2f3oA1 LEU 211 H -0.01 0.45 -0.14 -0.55 8.37 8.12 2f3oA1 LEU 211 HA -0.02 0.05 0.38 -0.75 4.35 4.00 2f3oA1 LEU 211 HB2 -0.01 0.09 0.18 -0.04 1.64 1.87 2f3oA1 LEU 211 HB3 -0.02 -0.06 -0.03 -0.04 1.64 1.49 2f3oA1 LEU 211 HG -0.01 0.10 0.06 -0.04 1.64 1.74 2f3oA1 LEU 211 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.80 2f3oA1 LEU 211 HD23 -0.01 -0.03 0.04 -0.04 0.89 0.85 2f3oA1 ARG 212 H -0.06 0.47 -0.26 -0.55 8.46 8.06 2f3oA1 ARG 212 HA -0.09 -0.00 0.51 -0.75 4.34 4.01 2f3oA1 ARG 212 HB2 -0.21 0.18 0.13 -0.04 1.90 1.96 2f3oA1 ARG 212 HB3 -0.23 -0.08 0.00 -0.04 1.80 1.46 2f3oA1 ARG 212 HG2 -0.07 -0.11 0.05 -0.04 1.67 1.51 2f3oA1 ARG 212 HG3 -0.04 0.24 0.08 -0.04 1.67 1.91 2f3oA1 ARG 212 HD2 -0.02 0.01 0.08 -0.04 3.22 3.24 2f3oA1 ARG 212 HD3 -0.01 0.15 0.07 -0.04 3.22 3.39 2f3oA1 TYR 213 H -0.04 0.49 -0.21 -0.55 8.29 7.98 2f3oA1 TYR 213 HA -0.09 -0.01 0.49 -0.75 4.56 4.20 2f3oA1 TYR 213 HB2 -0.18 0.24 0.14 -0.04 3.06 3.22 2f3oA1 TYR 213 HB3 -0.08 -0.10 -0.05 -0.04 2.98 2.71 2f3oA1 TYR 213 HD2 -0.34 0.11 -0.02 -0.04 7.15 6.86 2f3oA1 TYR 213 HE2 -0.29 0.06 -0.10 -0.04 6.85 6.47 2f3oA1 SER 214 H 0.01 0.43 -0.36 -0.55 8.46 7.98 2f3oA1 SER 214 HA 0.00 0.00 0.45 -0.75 4.49 4.18 2f3oA1 SER 214 HB2 -0.02 0.02 -0.36 -0.04 3.95 3.55 2f3oA1 SER 214 HB3 -0.02 0.20 0.07 -0.04 3.93 4.14 2f3oA1 LYS 215 H -0.03 0.42 -0.27 -0.55 8.42 7.98 2f3oA1 LYS 215 HA -0.02 0.03 0.43 -0.75 4.32 4.00 2f3oA1 LYS 215 HB2 -0.04 0.24 0.19 -0.04 1.87 2.21 2f3oA1 LYS 215 HB3 -0.05 0.05 0.04 -0.04 1.79 1.78 2f3oA1 LYS 215 HG2 -0.03 0.02 0.01 -0.04 1.46 1.43 2f3oA1 LYS 215 HG3 -0.03 -0.05 0.01 -0.04 1.46 1.35 2f3oA1 LYS 215 HD2 -0.02 -0.03 -0.00 -0.04 1.69 1.59 2f3oA1 LYS 215 HD3 -0.02 -0.05 0.02 -0.04 1.68 1.60 2f3oA1 LYS 215 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.86 2f3oA1 LYS 215 HE3 -0.02 0.02 -0.08 -0.04 2.99 2.87 2f3oA1 LEU 216 H -0.05 0.49 -0.13 -0.55 8.37 8.13 2f3oA1 LEU 216 HA -0.03 0.05 0.47 -0.75 4.35 4.08 2f3oA1 LEU 216 HB2 -0.12 0.21 0.13 -0.04 1.64 1.82 2f3oA1 LEU 216 HB3 -0.00 0.01 -0.06 -0.04 1.64 1.55 2f3oA1 LEU 216 HG -0.10 0.08 -0.02 -0.04 1.64 1.56 2f3oA1 LEU 216 HD13 -0.01 0.00 -0.10 -0.04 0.93 0.78 2f3oA1 LEU 216 HD23 -0.02 -0.01 0.04 -0.04 0.89 0.85 2f3oA1 ALA 217 H 0.02 0.46 -0.39 -0.55 8.40 7.94 2f3oA1 ALA 217 HA 0.03 -0.02 0.40 -0.75 4.34 3.99 2f3oA1 ALA 217 HB3 0.02 0.09 0.04 -0.04 1.41 1.52 2f3oA1 GLU 218 H -0.01 0.39 -0.33 -0.55 8.60 8.11 2f3oA1 GLU 218 HA -0.01 0.01 0.45 -0.75 4.29 3.99 2f3oA1 GLU 218 HB2 -0.01 0.23 0.18 -0.04 2.09 2.45 2f3oA1 GLU 218 HB3 -0.01 0.07 0.03 -0.04 1.99 2.03 2f3oA1 GLU 218 HG2 -0.01 -0.05 -0.02 -0.04 2.34 2.22 2f3oA1 GLU 218 HG3 -0.01 -0.04 0.02 -0.04 2.34 2.27 2f3oA1 GLU 219 H -0.01 0.49 -0.19 -0.55 8.60 8.35 2f3oA1 GLU 219 HA -0.01 0.01 0.41 -0.75 4.29 3.96 2f3oA1 GLU 219 HB2 -0.02 0.10 0.14 -0.04 2.09 2.27 2f3oA1 GLU 219 HB3 -0.01 0.10 0.15 -0.04 1.99 2.19 2f3oA1 GLU 219 HG2 -0.01 -0.02 -0.04 -0.04 2.34 2.23 2f3oA1 GLU 219 HG3 -0.01 -0.04 0.03 -0.04 2.34 2.29 2f3oA1 LEU 220 H 0.01 0.43 -0.31 -0.55 8.37 7.96 2f3oA1 LEU 220 HA 0.01 0.10 0.47 -0.75 4.35 4.17 2f3oA1 LEU 220 HB2 0.02 0.06 0.04 -0.04 1.64 1.72 2f3oA1 LEU 220 HB3 0.02 -0.09 0.00 -0.04 1.64 1.53 2f3oA1 LEU 220 HG 0.02 0.18 -0.02 -0.04 1.64 1.77 2f3oA1 LEU 220 HD13 0.03 -0.03 -0.03 -0.04 0.93 0.86 2f3oA1 LEU 220 HD23 0.01 -0.02 -0.09 -0.04 0.89 0.75 2f3oA1 ALA 221 H 0.01 0.34 -0.48 -0.55 8.40 7.71 2f3oA1 ALA 221 HA 0.01 -0.01 0.39 -0.75 4.34 3.98 2f3oA1 ALA 221 HB3 0.01 0.02 0.04 -0.04 1.41 1.44 2f3oA1 GLU 222 H 0.00 0.34 -0.34 -0.55 8.60 8.06 2f3oA1 GLU 222 HA 0.00 0.09 0.73 -0.75 4.29 4.36 2f3oA1 GLU 222 HB2 0.00 -0.05 0.21 -0.04 2.09 2.21 2f3oA1 GLU 222 HB3 -0.00 -0.02 0.08 -0.04 1.99 2.01 2f3oA1 GLU 222 HG2 -0.00 0.20 0.09 -0.04 2.34 2.59 2f3oA1 GLU 222 HG3 0.00 0.12 -0.09 -0.04 2.34 2.34 2f3oA1 SER 223 H 0.01 0.11 -0.69 -0.55 8.46 7.34 2f3oA1 SER 223 HA 0.00 0.07 0.64 -0.75 4.49 4.46 2f3oA1 SER 223 HB2 0.00 0.07 -0.39 -0.04 3.95 3.59 2f3oA1 SER 223 HB3 0.01 0.17 -0.05 -0.04 3.93 4.02 2f3oA1 GLU 224 H 0.01 0.30 0.04 -0.55 8.60 8.40 2f3oA1 GLU 224 HA 0.01 0.14 0.81 -0.75 4.29 4.50 2f3oA1 GLU 224 HB2 0.01 0.34 -0.34 -0.04 2.09 2.06 2f3oA1 GLU 224 HB3 0.02 -0.02 -0.07 -0.04 1.99 1.88 2f3oA1 GLU 224 HG2 0.02 0.08 -0.22 -0.04 2.34 2.17 2f3oA1 GLU 224 HG3 0.02 -0.23 -0.22 -0.04 2.34 1.87 2f3oA1 ASP 225 H 0.01 0.18 0.13 -0.55 8.40 8.17 2f3oA1 ASP 225 HA 0.01 0.23 0.78 -0.75 4.63 4.90 2f3oA1 ASP 225 HB2 0.01 0.05 0.01 -0.04 2.71 2.74 2f3oA1 ASP 225 HB3 0.01 -0.04 0.11 -0.04 2.70 2.74 2f3oA1 GLY 226 H 0.01 0.30 0.19 -0.55 8.43 8.39 2f3oA1 GLY 226 HA2 0.01 0.12 0.36 -0.51 4.01 3.99 2f3oA1 GLY 226 HA3 0.01 0.06 0.16 -0.51 4.01 3.74 2f3oA1 GLU 227 H 0.02 0.23 0.31 -0.55 8.60 8.61 2f3oA1 GLU 227 HA 0.03 0.14 0.65 -0.75 4.29 4.36 2f3oA1 GLU 227 HB2 0.02 0.03 0.17 -0.04 2.09 2.26 2f3oA1 GLU 227 HB3 0.03 0.03 0.05 -0.04 1.99 2.06 2f3oA1 GLU 227 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 2f3oA1 GLU 227 HG3 0.02 0.02 0.05 -0.04 2.34 2.39 2f3oA1 ARG 228 H 0.03 0.29 0.10 -0.55 8.46 8.32 2f3oA1 ARG 228 HA 0.05 0.10 0.43 -0.75 4.34 4.17 2f3oA1 ARG 228 HB2 0.03 0.01 0.14 -0.04 1.90 2.04 2f3oA1 ARG 228 HB3 0.03 0.01 0.06 -0.04 1.80 1.86 2f3oA1 ARG 228 HG2 0.03 0.04 0.02 -0.04 1.67 1.72 2f3oA1 ARG 228 HG3 0.03 0.04 -0.11 -0.04 1.67 1.60 2f3oA1 ARG 228 HD2 0.05 -0.05 0.10 -0.04 3.22 3.28 2f3oA1 ARG 228 HD3 0.03 0.00 0.03 -0.04 3.22 3.25 2f3oA1 ARG 229 H 0.03 0.09 -0.68 -0.55 8.46 7.35 2f3oA1 ARG 229 HA 0.02 0.13 0.40 -0.75 4.34 4.14 2f3oA1 ARG 229 HB2 0.02 -0.03 -0.48 -0.04 1.90 1.36 2f3oA1 ARG 229 HB3 0.02 0.01 -0.15 -0.04 1.80 1.63 2f3oA1 ARG 229 HG2 0.01 -0.06 -0.12 -0.04 1.67 1.47 2f3oA1 ARG 229 HG3 0.01 0.30 0.12 -0.04 1.67 2.06 2f3oA1 ARG 229 HD2 0.01 0.21 0.12 -0.04 3.22 3.52 2f3oA1 ARG 229 HD3 0.01 -0.14 0.02 -0.04 3.22 3.07 2f3oA1 GLU 230 H 0.04 0.20 -0.43 -0.55 8.60 7.86 2f3oA1 GLU 230 HA 0.03 0.08 0.48 -0.75 4.29 4.12 2f3oA1 GLU 230 HB2 0.05 0.12 0.23 -0.04 2.09 2.45 2f3oA1 GLU 230 HB3 0.06 -0.04 0.02 -0.04 1.99 1.99 2f3oA1 GLU 230 HG2 0.03 0.22 0.15 -0.04 2.34 2.70 2f3oA1 GLU 230 HG3 0.03 -0.05 0.06 -0.04 2.34 2.35 2f3oA1 GLU 231 H 0.08 0.41 -0.17 -0.55 8.60 8.38 2f3oA1 GLU 231 HA 0.21 0.00 0.46 -0.75 4.29 4.22 2f3oA1 GLU 231 HB2 0.11 0.09 0.17 -0.04 2.09 2.41 2f3oA1 GLU 231 HB3 0.21 0.06 -0.01 -0.04 1.99 2.21 2f3oA1 GLU 231 HG2 0.24 -0.06 0.02 -0.04 2.34 2.50 2f3oA1 GLU 231 HG3 0.13 0.06 0.06 -0.04 2.34 2.56 2f3oA1 LEU 232 H 0.06 0.51 -0.11 -0.55 8.37 8.28 2f3oA1 LEU 232 HA 0.05 0.03 0.41 -0.75 4.35 4.08 2f3oA1 LEU 232 HB2 0.03 0.02 0.08 -0.04 1.64 1.73 2f3oA1 LEU 232 HB3 0.02 0.18 0.05 -0.04 1.64 1.86 2f3oA1 LEU 232 HG 0.06 -0.02 0.02 -0.04 1.64 1.66 2f3oA1 LEU 232 HD13 0.03 -0.02 -0.22 -0.04 0.93 0.69 2f3oA1 LEU 232 HD23 0.05 -0.00 -0.03 -0.04 0.89 0.87 2f3oA1 LEU 233 H 0.01 0.38 -0.36 -0.55 8.37 7.86 2f3oA1 LEU 233 HA -0.02 0.08 0.49 -0.75 4.35 4.15 2f3oA1 LEU 233 HB2 -0.01 0.12 0.12 -0.04 1.64 1.84 2f3oA1 LEU 233 HB3 -0.02 -0.06 -0.02 -0.04 1.64 1.50 2f3oA1 LEU 233 HG 0.00 0.15 0.05 -0.04 1.64 1.80 2f3oA1 LEU 233 HD13 0.00 -0.03 -0.03 -0.04 0.93 0.84 2f3oA1 LEU 233 HD23 -0.01 -0.01 -0.01 -0.04 0.89 0.82 2f3oA1 LYS 234 H -0.05 0.39 -0.23 -0.55 8.42 7.97 2f3oA1 LYS 234 HA -0.19 0.02 0.56 -0.75 4.32 3.96 2f3oA1 LYS 234 HB2 -0.12 0.17 0.26 -0.04 1.87 2.13 2f3oA1 LYS 234 HB3 -0.81 -0.05 -0.01 -0.04 1.79 0.89 2f3oA1 LYS 234 HG2 -0.08 0.05 0.05 -0.04 1.46 1.44 2f3oA1 LYS 234 HG3 -0.06 -0.04 0.04 -0.04 1.46 1.35 2f3oA1 LYS 234 HD2 -0.52 -0.06 0.02 -0.04 1.69 1.09 2f3oA1 LYS 234 HD3 -0.20 0.01 0.07 -0.04 1.68 1.52 2f3oA1 LYS 234 HE2 -0.02 0.04 0.01 -0.04 2.99 2.98 2f3oA1 LYS 234 HE3 0.03 -0.02 0.02 -0.04 2.99 2.97 2f3oA1 ILE 235 H -0.12 0.63 -0.01 -0.55 8.25 8.20 2f3oA1 ILE 235 HA -0.24 -0.02 0.45 -0.75 4.18 3.62 2f3oA1 ILE 235 HB 0.01 0.10 0.14 -0.04 1.89 2.09 2f3oA1 ILE 235 HG12 0.14 0.05 0.02 -0.04 1.49 1.65 2f3oA1 ILE 235 HG13 0.12 0.09 0.08 -0.04 1.21 1.46 2f3oA1 ILE 235 HG23 0.03 -0.00 -0.13 -0.04 0.93 0.78 2f3oA1 ILE 235 HD13 0.17 -0.03 -0.13 -0.04 0.88 0.85 2f3oA1 ALA 236 H -0.06 0.45 -0.37 -0.55 8.40 7.87 2f3oA1 ALA 236 HA -0.03 0.04 0.46 -0.75 4.34 4.05 2f3oA1 ALA 236 HB3 -0.03 0.03 0.03 -0.04 1.41 1.41 2f3oA1 GLU 237 H -0.12 0.30 -0.41 -0.55 8.60 7.83 2f3oA1 GLU 237 HA -0.06 0.06 0.40 -0.75 4.29 3.93 2f3oA1 GLU 237 HB2 -0.08 0.15 0.15 -0.04 2.09 2.27 2f3oA1 GLU 237 HB3 -0.15 0.08 0.22 -0.04 1.99 2.09 2f3oA1 GLU 237 HG2 -0.07 -0.05 -0.06 -0.04 2.34 2.11 2f3oA1 GLU 237 HG3 -0.05 -0.01 0.03 -0.04 2.34 2.27 2f3oA1 ILE 238 H -0.21 0.64 0.00 -0.55 8.25 8.14 2f3oA1 ILE 238 HA -0.13 -0.04 0.50 -0.75 4.18 3.76 2f3oA1 ILE 238 HB -0.29 0.13 0.18 -0.04 1.89 1.87 2f3oA1 ILE 238 HG12 -0.33 -0.17 -0.01 -0.04 1.49 0.95 2f3oA1 ILE 238 HG13 -0.42 0.10 0.05 -0.04 1.21 0.90 2f3oA1 ILE 238 HG23 -0.16 -0.01 -0.10 -0.04 0.93 0.63 2f3oA1 ILE 238 HD13 -1.35 -0.02 -0.16 -0.04 0.88 -0.69 2f3oA1 CYS 239 H -0.09 0.65 -0.08 -0.55 8.50 8.44 2f3oA1 CYS 239 HA -0.05 0.19 0.36 -0.75 4.58 4.33 2f3oA1 CYS 239 HB2 -0.02 0.06 -0.04 -0.04 2.97 2.92 2f3oA1 CYS 239 HB3 -0.01 0.21 0.06 -0.04 2.97 3.19 2f3oA1 ARG 240 H -0.05 0.19 -0.75 -0.55 8.46 7.30 2f3oA1 ARG 240 HA -0.02 0.08 0.61 -0.75 4.34 4.25 2f3oA1 ARG 240 HB2 -0.03 0.11 0.09 -0.04 1.90 2.04 2f3oA1 ARG 240 HB3 -0.03 0.13 0.09 -0.04 1.80 1.95 2f3oA1 ARG 240 HG2 -0.01 -0.04 -0.15 -0.04 1.67 1.43 2f3oA1 ARG 240 HG3 -0.01 -0.03 0.04 -0.04 1.67 1.63 2f3oA1 ARG 240 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.10 2f3oA1 ARG 240 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.10 2f3oA1 LYS 241 H -0.03 0.28 -0.19 -0.55 8.42 7.93 2f3oA1 LYS 241 HA 0.01 0.07 0.47 -0.75 4.32 4.12 2f3oA1 LYS 241 HB2 -0.01 0.03 0.10 -0.04 1.87 1.95 2f3oA1 LYS 241 HB3 -0.01 0.07 0.25 -0.04 1.79 2.05 2f3oA1 LYS 241 HG2 0.05 -0.04 -0.27 -0.04 1.46 1.16 2f3oA1 LYS 241 HG3 0.03 -0.02 0.00 -0.04 1.46 1.43 2f3oA1 LYS 241 HD2 0.00 -0.01 -0.00 -0.04 1.69 1.64 2f3oA1 LYS 241 HD3 0.01 -0.08 -0.01 -0.04 1.68 1.56 2f3oA1 LYS 241 HE2 0.05 0.16 -0.10 -0.04 2.99 3.06 2f3oA1 LYS 241 HE3 0.04 0.02 -0.04 -0.04 2.99 2.96 2f3oA1 VAL 242 H -0.01 0.76 0.16 -0.55 8.24 8.60 2f3oA1 VAL 242 HA 0.05 0.01 1.29 -0.75 4.13 4.72 2f3oA1 VAL 242 HB 0.24 0.01 0.04 -0.04 2.12 2.37 2f3oA1 VAL 242 HG13 0.13 0.02 -0.22 -0.04 0.97 0.87 2f3oA1 VAL 242 HG23 0.04 0.08 0.10 -0.04 0.95 1.13 2f3oA1 PRO 243 HA -0.92 0.05 0.04 -0.51 4.44 3.10 2f3oA1 PRO 243 HB2 -0.45 -0.05 -0.01 -0.04 2.28 1.73 2f3oA1 PRO 243 HB3 -0.46 0.05 0.05 -0.04 2.02 1.62 2f3oA1 PRO 243 HG2 -0.15 0.17 -0.02 -0.04 2.03 1.99 2f3oA1 PRO 243 HG3 -0.14 0.08 0.23 -0.04 2.03 2.15 2f3oA1 PRO 243 HD2 -0.06 0.05 -0.04 -0.04 3.68 3.59 2f3oA1 PRO 243 HD3 -0.07 0.29 -0.52 -0.04 3.65 3.31 2f3oA1 ALA 244 H 0.01 0.32 0.25 -0.55 8.40 8.43 2f3oA1 ALA 244 HA 0.19 -0.14 0.48 -0.75 4.34 4.10 2f3oA1 ALA 244 HB3 0.06 0.07 0.08 -0.04 1.41 1.58 2f3oA1 GLU 245 H 0.12 0.50 0.30 -0.55 8.60 8.97 2f3oA1 GLU 245 HA 0.13 0.14 0.93 -0.75 4.29 4.74 2f3oA1 GLU 245 HB2 0.09 -0.02 -0.10 -0.04 2.09 2.01 2f3oA1 GLU 245 HB3 0.08 0.02 0.07 -0.04 1.99 2.11 2f3oA1 GLU 245 HG2 0.06 0.14 0.07 -0.04 2.34 2.58 2f3oA1 GLU 245 HG3 0.05 -0.04 0.02 -0.04 2.34 2.33 2f3oA1 LYS 246 H 0.09 0.13 0.04 -0.55 8.42 8.13 2f3oA1 LYS 246 HA 0.07 0.13 0.49 -0.75 4.32 4.25 2f3oA1 LYS 246 HB2 0.04 -0.11 0.07 -0.04 1.87 1.83 2f3oA1 LYS 246 HB3 0.04 0.11 -0.04 -0.04 1.79 1.87 2f3oA1 LYS 246 HG2 -0.05 0.21 -0.21 -0.04 1.46 1.36 2f3oA1 LYS 246 HG3 -0.02 0.02 -0.35 -0.04 1.46 1.07 2f3oA1 LYS 246 HD2 -0.04 -0.03 -0.02 -0.04 1.69 1.56 2f3oA1 LYS 246 HD3 -0.12 0.20 -0.14 -0.04 1.68 1.58 2f3oA1 LYS 246 HE2 0.02 -0.05 0.02 -0.04 2.99 2.93 2f3oA1 LYS 246 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.90 2f3oA1 PRO 247 HA 0.03 0.02 0.52 -0.51 4.44 4.50 2f3oA1 PRO 247 HB2 -0.33 -0.05 -0.17 -0.04 2.28 1.69 2f3oA1 PRO 247 HB3 -0.02 0.07 -0.24 -0.04 2.02 1.79 2f3oA1 PRO 247 HG2 -0.39 0.03 0.05 -0.04 2.03 1.68 2f3oA1 PRO 247 HG3 -0.33 0.02 0.04 -0.04 2.03 1.72 2f3oA1 PRO 247 HD2 -0.14 0.29 0.29 -0.04 3.68 4.09 2f3oA1 PRO 247 HD3 0.07 0.23 0.19 -0.04 3.65 4.10 2f3oA1 GLU 248 H 0.04 -0.05 0.17 -0.55 8.60 8.22 2f3oA1 GLU 248 HA 0.26 0.28 0.86 -0.75 4.29 4.93 2f3oA1 GLU 248 HB2 0.07 -0.02 0.05 -0.04 2.09 2.15 2f3oA1 GLU 248 HB3 0.10 -0.03 0.00 -0.04 1.99 2.03 2f3oA1 GLU 248 HG2 0.09 -0.02 0.01 -0.04 2.34 2.38 2f3oA1 GLU 248 HG3 0.11 0.18 -0.21 -0.04 2.34 2.38 2f3oA1 THR 249 H 0.06 -0.04 0.17 -0.55 8.28 7.92 2f3oA1 THR 249 HA 0.22 0.36 0.98 -0.75 4.39 5.20 2f3oA1 THR 249 HB 0.19 -0.01 0.15 -0.04 4.32 4.61 2f3oA1 THR 249 HG23 0.09 0.06 -0.06 -0.04 1.22 1.26 2f3oA1 PHE 250 H 0.37 0.24 0.11 -0.55 8.34 8.51 2f3oA1 PHE 250 HA 0.15 0.13 0.40 -0.75 4.62 4.55 2f3oA1 PHE 250 HB2 0.23 0.10 -0.27 -0.04 3.15 3.17 2f3oA1 PHE 250 HB3 0.17 -0.03 0.04 -0.04 3.06 3.20 2f3oA1 PHE 250 HD2 0.23 0.02 -0.10 -0.04 7.28 7.38 2f3oA1 PHE 250 HE2 0.08 0.03 -0.04 -0.04 7.38 7.42 2f3oA1 PHE 250 HZ 0.02 0.04 -0.05 -0.04 7.32 7.30 2f3oA1 TRP 251 H 0.43 0.09 -0.09 -0.55 7.97 7.85 2f3oA1 TRP 251 HA -0.04 0.11 0.39 -0.75 4.62 4.33 2f3oA1 TRP 251 HB2 0.12 -0.03 0.07 -0.04 3.23 3.34 2f3oA1 TRP 251 HB3 0.05 -0.00 0.03 -0.04 3.23 3.27 2f3oA1 TRP 251 HD1 -0.01 -0.08 0.05 -0.04 7.22 7.13 2f3oA1 TRP 251 HE1 0.00 0.62 0.09 -0.04 10.20 10.88 2f3oA1 TRP 251 HE3 0.06 -0.04 -0.01 -0.04 7.59 7.55 2f3oA1 TRP 251 HZ2 0.01 0.09 0.08 -0.04 7.44 7.58 2f3oA1 TRP 251 HZ3 0.03 0.01 0.01 -0.04 7.13 7.13 2f3oA1 TRP 251 HH2 0.02 0.00 0.04 -0.04 7.19 7.21 2f3oA1 GLU 252 H 0.14 -0.05 -0.32 -0.55 8.60 7.82 2f3oA1 GLU 252 HA -0.01 0.15 0.41 -0.75 4.29 4.08 2f3oA1 GLU 252 HB2 -0.00 -0.15 0.17 -0.04 2.09 2.07 2f3oA1 GLU 252 HB3 -0.01 0.08 0.04 -0.04 1.99 2.06 2f3oA1 GLU 252 HG2 -0.05 0.15 0.09 -0.04 2.34 2.49 2f3oA1 GLU 252 HG3 -0.07 -0.04 0.04 -0.04 2.34 2.24 2f3oA1 ALA 253 H -0.20 0.44 -0.19 -0.55 8.40 7.90 2f3oA1 ALA 253 HA -0.25 0.08 0.51 -0.75 4.34 3.93 2f3oA1 ALA 253 HB3 -0.71 0.02 0.08 -0.04 1.41 0.76 2f3oA1 VAL 254 H -0.21 0.57 -0.06 -0.55 8.24 7.99 2f3oA1 VAL 254 HA -0.05 0.00 0.29 -0.75 4.13 3.62 2f3oA1 VAL 254 HB -0.12 0.04 0.09 -0.04 2.12 2.08 2f3oA1 VAL 254 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.84 2f3oA1 VAL 254 HG23 -0.63 0.02 0.00 -0.04 0.95 0.30 2f3oA1 GLN 255 H 0.13 0.48 -0.23 -0.55 8.47 8.30 2f3oA1 GLN 255 HA 0.18 0.04 0.54 -0.75 4.36 4.37 2f3oA1 GLN 255 HB2 0.21 -0.02 0.12 -0.04 2.15 2.43 2f3oA1 GLN 255 HB3 0.08 0.04 0.11 -0.04 2.02 2.20 2f3oA1 GLN 255 HG2 -0.00 -0.04 -0.01 -0.04 2.40 2.30 2f3oA1 GLN 255 HG3 0.02 0.12 -0.12 -0.04 2.39 2.38 2f3oA1 GLN 255 HE21 0.12 0.47 0.17 -0.04 6.97 7.68 2f3oA1 GLN 255 HE22 0.06 -0.04 0.16 -0.04 7.69 7.82 2f3oA1 PHE 256 H 0.18 0.47 -0.15 -0.55 8.34 8.28 2f3oA1 PHE 256 HA 0.03 0.04 0.38 -0.75 4.62 4.32 2f3oA1 PHE 256 HB2 -0.02 0.10 0.18 -0.04 3.15 3.37 2f3oA1 PHE 256 HB3 -0.03 0.08 0.25 -0.04 3.06 3.31 2f3oA1 PHE 256 HD2 0.08 0.03 -0.30 -0.04 7.28 7.05 2f3oA1 PHE 256 HE2 0.24 0.03 -0.15 -0.04 7.38 7.46 2f3oA1 PHE 256 HZ 0.24 -0.04 -0.09 -0.04 7.32 7.39 2f3oA1 VAL 257 H 0.18 0.49 -0.01 -0.55 8.24 8.35 2f3oA1 VAL 257 HA 0.03 -0.02 0.32 -0.75 4.13 3.70 2f3oA1 VAL 257 HB -1.11 -0.05 0.08 -0.04 2.12 0.99 2f3oA1 VAL 257 HG13 -0.01 0.00 0.05 -0.04 0.97 0.97 2f3oA1 VAL 257 HG23 -0.21 0.00 -0.10 -0.04 0.95 0.60 2f3oA1 TRP 258 H 0.24 0.46 -0.25 -0.55 7.97 7.87 2f3oA1 TRP 258 HA 0.00 -0.01 0.30 -0.75 4.62 4.16 2f3oA1 TRP 258 HB2 -0.00 -0.07 0.06 -0.04 3.23 3.17 2f3oA1 TRP 258 HB3 -0.01 0.07 0.10 -0.04 3.23 3.34 2f3oA1 TRP 258 HD1 -0.08 0.27 -0.24 -0.04 7.22 7.12 2f3oA1 TRP 258 HE1 -0.06 0.40 -0.14 -0.04 10.20 10.36 2f3oA1 TRP 258 HE3 -0.01 -0.07 -0.05 -0.04 7.59 7.42 2f3oA1 TRP 258 HZ2 -0.03 0.06 -0.06 -0.04 7.44 7.37 2f3oA1 TRP 258 HZ3 -0.05 -0.02 -0.08 -0.04 7.13 6.93 2f3oA1 TRP 258 HH2 -0.10 0.02 -0.21 -0.04 7.19 6.86 2f3oA1 LEU 259 H 0.03 0.56 -0.11 -0.55 8.37 8.31 2f3oA1 LEU 259 HA -0.16 0.09 0.54 -0.75 4.35 4.07 2f3oA1 LEU 259 HB2 -0.11 0.12 0.24 -0.04 1.64 1.86 2f3oA1 LEU 259 HB3 -0.04 -0.07 0.04 -0.04 1.64 1.53 2f3oA1 LEU 259 HG -0.05 0.06 0.13 -0.04 1.64 1.75 2f3oA1 LEU 259 HD13 -0.09 -0.01 0.11 -0.04 0.93 0.90 2f3oA1 LEU 259 HD23 -0.28 -0.02 0.01 -0.04 0.89 0.56 2f3oA1 VAL 260 H -0.06 0.45 -0.03 -0.55 8.24 8.05 2f3oA1 VAL 260 HA -0.16 0.02 0.42 -0.75 4.13 3.66 2f3oA1 VAL 260 HB -0.13 -0.03 0.06 -0.04 2.12 1.98 2f3oA1 VAL 260 HG13 0.20 0.02 0.03 -0.04 0.97 1.18 2f3oA1 VAL 260 HG23 0.26 -0.02 -0.13 -0.04 0.95 1.02 2f3oA1 GLN 261 H -0.06 0.65 -0.15 -0.55 8.47 8.36 2f3oA1 GLN 261 HA 0.04 -0.06 0.39 -0.75 4.36 3.98 2f3oA1 GLN 261 HB2 0.09 -0.01 0.04 -0.04 2.15 2.22 2f3oA1 GLN 261 HB3 -0.51 0.11 0.13 -0.04 2.02 1.71 2f3oA1 GLN 261 HG2 0.10 -0.02 -0.08 -0.04 2.40 2.36 2f3oA1 GLN 261 HG3 -0.23 0.03 -0.19 -0.04 2.39 1.95 2f3oA1 GLN 261 HE21 0.28 0.00 -0.22 -0.04 6.97 6.99 2f3oA1 GLN 261 HE22 0.38 0.00 -0.06 -0.04 7.69 7.97 2f3oA1 SER 262 H -0.79 0.71 -0.12 -0.55 8.46 7.72 2f3oA1 SER 262 HA -0.40 -0.00 0.42 -0.75 4.49 3.75 2f3oA1 SER 262 HB2 -0.15 0.03 -0.11 -0.04 3.95 3.68 2f3oA1 SER 262 HB3 -0.99 0.07 0.05 -0.04 3.93 3.02 2f3oA1 ALA 263 H -0.22 0.48 -0.20 -0.55 8.40 7.91 2f3oA1 ALA 263 HA -0.39 0.08 0.43 -0.75 4.34 3.70 2f3oA1 ALA 263 HB3 -0.31 0.00 0.08 -0.04 1.41 1.15 2f3oA1 LEU 264 H -0.11 0.76 -0.09 -0.55 8.37 8.38 2f3oA1 LEU 264 HA -0.10 -0.12 0.28 -0.75 4.35 3.66 2f3oA1 LEU 264 HB2 -0.09 0.25 0.14 -0.04 1.64 1.90 2f3oA1 LEU 264 HB3 -0.18 -0.10 -0.01 -0.04 1.64 1.31 2f3oA1 LEU 264 HG -0.06 0.16 0.01 -0.04 1.64 1.71 2f3oA1 LEU 264 HD13 -0.03 -0.02 -0.10 -0.04 0.93 0.74 2f3oA1 LEU 264 HD23 -0.06 -0.04 -0.10 -0.04 0.89 0.65 2f3oA1 HIS 265 H 0.03 0.37 -0.58 -0.55 8.41 7.68 2f3oA1 HIS 265 HA -0.02 0.14 0.42 -0.75 4.63 4.42 2f3oA1 HIS 265 HB2 -0.10 0.20 0.10 -0.04 3.26 3.43 2f3oA1 HIS 265 HB3 0.00 -0.06 0.10 -0.04 3.20 3.20 2f3oA1 HIS 265 HD2 -0.06 -0.07 -0.06 -0.04 6.97 6.72 2f3oA1 HIS 265 HE1 -0.05 0.00 -0.02 -0.04 7.75 7.63 2f3oA1 GLN 266 H -0.02 0.54 -0.43 -0.55 8.47 8.02 2f3oA1 GLN 266 HA 0.02 0.11 0.79 -0.75 4.36 4.53 2f3oA1 GLN 266 HB2 -0.08 0.03 0.05 -0.04 2.15 2.10 2f3oA1 GLN 266 HB3 -0.06 -0.11 0.09 -0.04 2.02 1.90 2f3oA1 GLN 266 HG2 -0.13 0.19 0.11 -0.04 2.40 2.53 2f3oA1 GLN 266 HG3 -0.15 -0.07 -0.03 -0.04 2.39 2.10 2f3oA1 GLN 266 HE21 0.03 0.30 0.07 -0.04 6.97 7.32 2f3oA1 GLN 266 HE22 -0.02 0.47 0.04 -0.04 7.69 8.14 2f3oA1 GLU 267 H 0.01 0.21 -0.08 -0.55 8.60 8.19 2f3oA1 GLU 267 HA 0.08 0.16 0.80 -0.75 4.29 4.57 2f3oA1 GLU 267 HB2 -0.00 -0.00 0.04 -0.04 2.09 2.08 2f3oA1 GLU 267 HB3 -0.03 0.05 0.16 -0.04 1.99 2.12 2f3oA1 GLU 267 HG2 -0.00 0.02 -0.27 -0.04 2.34 2.04 2f3oA1 GLU 267 HG3 0.04 0.09 0.04 -0.04 2.34 2.47 2f3oA1 ASN 268 H -0.06 0.66 0.22 -0.55 8.53 8.80 2f3oA1 ASN 268 HA -0.16 0.09 0.77 -0.75 4.76 4.70 2f3oA1 ASN 268 HB2 -0.21 0.12 0.01 -0.04 2.88 2.76 2f3oA1 ASN 268 HB3 -0.11 -0.10 0.01 -0.04 2.79 2.55 2f3oA1 ASN 268 HD21 -0.05 -0.20 0.00 -0.04 7.03 6.74 2f3oA1 ASN 268 HD22 -0.11 0.33 0.15 -0.04 7.74 8.07 2f3oA1 TYR 269 H -0.20 0.02 0.10 -0.55 8.29 7.66 2f3oA1 TYR 269 HA -1.57 0.17 0.27 -0.75 4.56 2.67 2f3oA1 TYR 269 HB2 -0.61 -0.06 0.12 -0.04 3.06 2.47 2f3oA1 TYR 269 HB3 -0.70 0.10 0.14 -0.04 2.98 2.48 2f3oA1 TYR 269 HD2 -0.18 -0.10 -0.11 -0.04 7.15 6.72 2f3oA1 TYR 269 HE2 -0.02 0.08 -0.43 -0.04 6.85 6.44 2f3oA1 GLU 270 H -0.29 0.09 0.10 -0.55 8.60 7.96 2f3oA1 GLU 270 HA -0.07 0.14 0.07 -0.75 4.29 3.68 2f3oA1 GLU 270 HB2 -0.24 0.03 -0.06 -0.04 2.09 1.78 2f3oA1 GLU 270 HB3 -0.07 0.05 0.08 -0.04 1.99 2.01 2f3oA1 GLU 270 HG2 -0.01 0.03 0.11 -0.04 2.34 2.43 2f3oA1 GLU 270 HG3 0.04 0.01 0.17 -0.04 2.34 2.52 2f3oA1 GLN 271 H -1.13 0.12 -0.52 -0.55 8.47 6.39 2f3oA1 GLN 271 HA -0.39 0.35 0.73 -0.75 4.36 4.30 2f3oA1 GLN 271 HB2 -0.82 -0.02 -0.01 -0.04 2.15 1.27 2f3oA1 GLN 271 HB3 -0.48 0.01 -0.07 -0.04 2.02 1.44 2f3oA1 GLN 271 HG2 -0.82 -0.14 -0.14 -0.04 2.40 1.26 2f3oA1 GLN 271 HG3 -0.16 0.01 -0.10 -0.04 2.39 2.09 2f3oA1 GLN 271 HE21 -0.25 0.39 0.06 -0.04 6.97 7.13 2f3oA1 GLN 271 HE22 -0.28 -0.21 -0.14 -0.04 7.69 7.03 2f3oA1 ALA 272 H -0.24 0.57 0.13 -0.55 8.40 8.31 2f3oA1 ALA 272 HA -0.16 0.38 0.29 -0.75 4.34 4.10 2f3oA1 ALA 272 HB3 -0.38 -0.02 -0.12 -0.04 1.41 0.85 2f3oA1 ILE 273 H -0.16 0.20 -0.32 -0.55 8.25 7.42 2f3oA1 ILE 273 HA -0.07 0.07 0.72 -0.75 4.18 4.14 2f3oA1 ILE 273 HB -0.14 0.03 0.09 -0.04 1.89 1.82 2f3oA1 ILE 273 HG12 -0.22 -0.12 -0.07 -0.04 1.49 1.04 2f3oA1 ILE 273 HG13 -0.33 0.03 -0.26 -0.04 1.21 0.60 2f3oA1 ILE 273 HG23 -0.11 0.00 -0.07 -0.04 0.93 0.72 2f3oA1 ILE 273 HD13 -0.74 0.02 -0.22 -0.04 0.88 -0.10 2f3oA1 SER 274 H 0.04 0.52 0.44 -0.55 8.46 8.91 2f3oA1 SER 274 HA 0.04 0.21 0.80 -0.75 4.49 4.78 2f3oA1 SER 274 HB2 0.06 -0.03 0.12 -0.04 3.95 4.05 2f3oA1 SER 274 HB3 0.01 0.05 0.18 -0.04 3.93 4.13 2f3oA1 MET 275 H 0.06 0.64 0.36 -0.55 8.47 8.98 2f3oA1 MET 275 HA 0.48 0.21 0.89 -0.75 4.52 5.35 2f3oA1 MET 275 HB2 0.07 0.08 0.17 -0.04 2.15 2.42 2f3oA1 MET 275 HB3 0.27 -0.10 0.12 -0.04 2.03 2.28 2f3oA1 MET 275 HG2 0.27 -0.01 -0.03 -0.04 2.63 2.81 2f3oA1 MET 275 HG3 0.24 0.04 -0.20 -0.04 2.56 2.60 2f3oA1 MET 275 HE3 0.06 0.04 -0.10 -0.04 2.10 2.06 2f3oA1 GLY 276 H 0.06 0.10 0.08 -0.55 8.43 8.13 2f3oA1 GLY 276 HA2 -0.19 0.09 0.34 -0.51 4.01 3.75 2f3oA1 GLY 276 HA3 -0.13 0.13 0.35 -0.51 4.01 3.85 2f3oA1 ARG 277 H -1.25 0.20 0.16 -0.55 8.46 7.02 2f3oA1 ARG 277 HA -0.28 0.44 0.81 -0.75 4.34 4.56 2f3oA1 ARG 277 HB2 -0.26 -0.00 0.25 -0.04 1.90 1.85 2f3oA1 ARG 277 HB3 -0.19 -0.09 0.20 -0.04 1.80 1.67 2f3oA1 ARG 277 HG2 -0.34 0.04 0.01 -0.04 1.67 1.33 2f3oA1 ARG 277 HG3 -0.66 -0.07 0.05 -0.04 1.67 0.95 2f3oA1 ARG 277 HD2 -0.22 0.34 -0.13 -0.04 3.22 3.17 2f3oA1 ARG 277 HD3 -0.10 -0.10 0.01 -0.04 3.22 2.99 2f3oA1 ILE 278 H -0.21 0.58 0.14 -0.55 8.25 8.21 2f3oA1 ILE 278 HA -1.54 0.05 0.25 -0.75 4.18 2.19 2f3oA1 ILE 278 HB -0.08 0.13 0.01 -0.04 1.89 1.90 2f3oA1 ILE 278 HG12 -0.01 -0.08 -0.05 -0.04 1.49 1.30 2f3oA1 ILE 278 HG13 -0.14 -0.00 0.04 -0.04 1.21 1.06 2f3oA1 ILE 278 HG23 0.02 0.02 -0.06 -0.04 0.93 0.87 2f3oA1 ILE 278 HD13 0.12 0.02 -0.03 -0.04 0.88 0.96 2f3oA1 ASP 279 H -0.17 0.29 -0.11 -0.55 8.40 7.87 2f3oA1 ASP 279 HA -0.07 0.09 0.45 -0.75 4.63 4.34 2f3oA1 ASP 279 HB2 -0.13 -0.16 -0.07 -0.04 2.71 2.31 2f3oA1 ASP 279 HB3 -0.08 0.09 0.04 -0.04 2.70 2.70 2f3oA1 GLN 280 H -0.16 0.37 -0.21 -0.55 8.47 7.92 2f3oA1 GLN 280 HA -0.00 0.07 0.54 -0.75 4.36 4.21 2f3oA1 GLN 280 HB2 0.05 0.19 0.17 -0.04 2.15 2.51 2f3oA1 GLN 280 HB3 0.06 -0.00 0.05 -0.04 2.02 2.09 2f3oA1 GLN 280 HG2 -0.11 -0.12 0.04 -0.04 2.40 2.16 2f3oA1 GLN 280 HG3 -0.06 0.10 0.01 -0.04 2.39 2.41 2f3oA1 GLN 280 HE21 -0.15 0.40 -0.08 -0.04 6.97 7.09 2f3oA1 GLN 280 HE22 -0.15 -0.17 -0.08 -0.04 7.69 7.25 2f3oA1 TYR 281 H -0.18 0.27 -0.09 -0.55 8.29 7.74 2f3oA1 TYR 281 HA 0.15 0.21 0.64 -0.75 4.56 4.80 2f3oA1 TYR 281 HB2 0.20 0.01 0.06 -0.04 3.06 3.30 2f3oA1 TYR 281 HB3 0.22 0.01 -0.01 -0.04 2.98 3.16 2f3oA1 TYR 281 HD2 0.29 -0.01 -0.30 -0.04 7.15 7.09 2f3oA1 TYR 281 HE2 0.22 0.06 -0.08 -0.04 6.85 7.01 2f3oA1 LEU 282 H 0.04 0.32 -0.10 -0.55 8.37 8.09 2f3oA1 LEU 282 HA 0.59 0.17 0.82 -0.75 4.35 5.17 2f3oA1 LEU 282 HB2 0.11 0.37 0.17 -0.04 1.64 2.24 2f3oA1 LEU 282 HB3 0.45 -0.11 -0.02 -0.04 1.64 1.91 2f3oA1 LEU 282 HG -0.06 -0.08 0.03 -0.04 1.64 1.50 2f3oA1 LEU 282 HD13 0.31 0.01 -0.10 -0.04 0.93 1.12 2f3oA1 LEU 282 HD23 0.04 0.01 -0.02 -0.04 0.89 0.88 2f3oA1 TYR 283 H 0.28 0.23 -0.40 -0.55 8.29 7.84 2f3oA1 TYR 283 HA 0.20 -0.08 0.40 -0.75 4.56 4.33 2f3oA1 TYR 283 HB2 0.02 0.22 0.16 -0.04 3.06 3.42 2f3oA1 TYR 283 HB3 0.05 0.22 0.07 -0.04 2.98 3.28 2f3oA1 TYR 283 HD2 0.00 0.05 -0.02 -0.04 7.15 7.15 2f3oA1 TYR 283 HE2 0.13 0.02 0.02 -0.04 6.85 6.97 2f3oA1 PRO 284 HA -0.17 0.07 0.60 -0.51 4.44 4.44 2f3oA1 PRO 284 HB2 -0.70 0.07 -0.06 -0.04 2.28 1.56 2f3oA1 PRO 284 HB3 -0.24 0.05 0.04 -0.04 2.02 1.83 2f3oA1 PRO 284 HG2 -0.10 0.11 0.02 -0.04 2.03 2.02 2f3oA1 PRO 284 HG3 -0.01 0.03 0.03 -0.04 2.03 2.03 2f3oA1 PRO 284 HD2 0.08 0.22 -0.38 -0.04 3.68 3.56 2f3oA1 PRO 284 HD3 0.16 0.26 0.02 -0.04 3.65 4.05 2f3oA1 PHE 285 H -0.02 0.28 -0.35 -0.55 8.34 7.70 2f3oA1 PHE 285 HA 0.10 0.17 0.32 -0.75 4.62 4.46 2f3oA1 PHE 285 HB2 0.36 0.08 0.01 -0.04 3.15 3.56 2f3oA1 PHE 285 HB3 0.23 -0.18 -0.43 -0.04 3.06 2.64 2f3oA1 PHE 285 HD2 0.14 0.03 -0.17 -0.04 7.28 7.24 2f3oA1 PHE 285 HE2 0.06 0.20 -0.05 -0.04 7.38 7.55 2f3oA1 PHE 285 HZ -0.01 0.09 -0.05 -0.04 7.32 7.31 2f3oA1 PHE 286 H 0.45 0.48 -0.07 -0.55 8.34 8.64 2f3oA1 PHE 286 HA -0.16 -0.05 0.46 -0.75 4.62 4.11 2f3oA1 PHE 286 HB2 -0.03 0.06 0.04 -0.04 3.15 3.19 2f3oA1 PHE 286 HB3 -0.10 0.06 0.14 -0.04 3.06 3.12 2f3oA1 PHE 286 HD2 -0.68 0.03 -0.10 -0.04 7.28 6.49 2f3oA1 PHE 286 HE2 -0.13 -0.03 -0.09 -0.04 7.38 7.09 2f3oA1 PHE 286 HZ -0.06 -0.00 -0.08 -0.04 7.32 7.13 2f3oA1 LYS 287 H -0.25 0.66 -0.07 -0.55 8.42 8.21 2f3oA1 LYS 287 HA -0.27 -0.04 0.35 -0.75 4.32 3.61 2f3oA1 LYS 287 HB2 -0.89 -0.11 0.12 -0.04 1.87 0.95 2f3oA1 LYS 287 HB3 -0.36 0.11 0.13 -0.04 1.79 1.63 2f3oA1 LYS 287 HG2 -0.12 0.05 -0.11 -0.04 1.46 1.24 2f3oA1 LYS 287 HG3 -0.12 0.02 0.04 -0.04 1.46 1.37 2f3oA1 LYS 287 HD2 0.07 -0.09 0.03 -0.04 1.69 1.65 2f3oA1 LYS 287 HD3 -0.04 -0.01 0.00 -0.04 1.68 1.60 2f3oA1 LYS 287 HE2 0.01 0.03 -0.00 -0.04 2.99 2.98 2f3oA1 LYS 287 HE3 0.09 -0.04 0.00 -0.04 2.99 3.00 2f3oA1 LYS 288 H -0.10 0.32 -0.33 -0.55 8.42 7.75 2f3oA1 LYS 288 HA -0.07 0.07 0.42 -0.75 4.32 3.99 2f3oA1 LYS 288 HB2 -0.04 0.07 0.13 -0.04 1.87 1.98 2f3oA1 LYS 288 HB3 0.02 0.02 0.16 -0.04 1.79 1.95 2f3oA1 LYS 288 HG2 0.01 -0.06 -0.16 -0.04 1.46 1.21 2f3oA1 LYS 288 HG3 -0.01 -0.02 0.03 -0.04 1.46 1.42 2f3oA1 LYS 288 HD2 0.04 0.03 0.03 -0.04 1.69 1.74 2f3oA1 LYS 288 HD3 0.08 0.01 0.02 -0.04 1.68 1.74 2f3oA1 LYS 288 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 2f3oA1 LYS 288 HE3 0.04 0.02 0.01 -0.04 2.99 3.03 2f3oA1 ASP 289 H -0.05 0.42 -0.11 -0.55 8.40 8.11 2f3oA1 ASP 289 HA -0.02 0.00 0.34 -0.75 4.63 4.20 2f3oA1 ASP 289 HB2 -0.08 0.14 0.21 -0.04 2.71 2.94 2f3oA1 ASP 289 HB3 -0.04 -0.18 -0.00 -0.04 2.70 2.44 2f3oA1 ILE 290 H -0.38 0.54 -0.02 -0.55 8.25 7.84 2f3oA1 ILE 290 HA -0.18 0.07 0.75 -0.75 4.18 4.06 2f3oA1 ILE 290 HB -0.48 0.13 0.11 -0.04 1.89 1.60 2f3oA1 ILE 290 HG12 -0.31 -0.07 -0.03 -0.04 1.49 1.05 2f3oA1 ILE 290 HG13 -0.25 0.06 0.01 -0.04 1.21 0.99 2f3oA1 ILE 290 HG23 -0.14 -0.01 -0.10 -0.04 0.93 0.65 2f3oA1 ILE 290 HD13 -0.98 -0.04 -0.16 -0.04 0.88 -0.34 2f3oA1 GLY 291 H -0.08 0.05 0.25 -0.55 8.43 8.11 2f3oA1 GLY 291 HA2 -0.05 -0.03 0.39 -0.51 4.01 3.81 2f3oA1 GLY 291 HA3 -0.06 0.23 0.58 -0.51 4.01 4.25 2f3oA1 GLU 292 H -0.06 0.24 -0.50 -0.55 8.60 7.74 2f3oA1 GLU 292 HA -0.02 0.16 0.49 -0.75 4.29 4.17 2f3oA1 GLU 292 HB2 -0.03 0.52 0.12 -0.04 2.09 2.66 2f3oA1 GLU 292 HB3 -0.01 -0.18 0.10 -0.04 1.99 1.86 2f3oA1 GLU 292 HG2 -0.00 -0.06 0.14 -0.04 2.34 2.37 2f3oA1 GLU 292 HG3 -0.01 0.06 0.16 -0.04 2.34 2.52 2f3oA1 GLY 293 H -0.05 -0.13 0.22 -0.55 8.43 7.92 2f3oA1 GLY 293 HA2 -0.04 -0.06 0.41 -0.51 4.01 3.82 2f3oA1 GLY 293 HA3 -0.02 0.11 0.34 -0.51 4.01 3.94 2f3oA1 ARG 294 H -0.01 0.13 -0.58 -0.55 8.46 7.45 2f3oA1 ARG 294 HA 0.03 0.05 0.30 -0.75 4.34 3.97 2f3oA1 ARG 294 HB2 0.02 -0.01 0.18 -0.04 1.90 2.05 2f3oA1 ARG 294 HB3 0.07 -0.11 -0.02 -0.04 1.80 1.71 2f3oA1 ARG 294 HG2 0.03 0.09 0.05 -0.04 1.67 1.81 2f3oA1 ARG 294 HG3 0.03 0.05 0.02 -0.04 1.67 1.73 2f3oA1 ARG 294 HD2 0.07 -0.02 0.00 -0.04 3.22 3.23 2f3oA1 ARG 294 HD3 0.08 -0.07 0.02 -0.04 3.22 3.21 2f3oA1 ILE 295 H -0.04 0.25 -0.18 -0.55 8.25 7.73 2f3oA1 ILE 295 HA 0.02 0.22 0.80 -0.75 4.18 4.47 2f3oA1 ILE 295 HB -0.00 -0.08 0.13 -0.04 1.89 1.89 2f3oA1 ILE 295 HG12 -0.13 -0.04 -0.17 -0.04 1.49 1.11 2f3oA1 ILE 295 HG13 -0.18 0.03 -0.43 -0.04 1.21 0.59 2f3oA1 ILE 295 HG23 0.15 0.00 -0.16 -0.04 0.93 0.89 2f3oA1 ILE 295 HD13 -0.14 -0.03 -0.06 -0.04 0.88 0.61 2f3oA1 ASN 296 H -0.04 0.08 0.17 -0.55 8.53 8.20 2f3oA1 ASN 296 HA -0.08 0.28 0.89 -0.75 4.76 5.10 2f3oA1 ASN 296 HB2 -0.04 -0.06 0.20 -0.04 2.88 2.95 2f3oA1 ASN 296 HB3 -0.03 0.19 0.04 -0.04 2.79 2.95 2f3oA1 ASN 296 HD21 -0.02 0.05 0.05 -0.04 7.03 7.08 2f3oA1 ASN 296 HD22 -0.01 0.13 0.05 -0.04 7.74 7.86 2f3oA1 ARG 297 H -0.04 0.25 0.18 -0.55 8.46 8.29 2f3oA1 ARG 297 HA 0.03 0.10 0.24 -0.75 4.34 3.95 2f3oA1 ARG 297 HB2 -0.01 0.04 0.16 -0.04 1.90 2.04 2f3oA1 ARG 297 HB3 -0.02 0.06 0.05 -0.04 1.80 1.85 2f3oA1 ARG 297 HG2 0.05 0.02 0.01 -0.04 1.67 1.71 2f3oA1 ARG 297 HG3 0.15 -0.02 0.05 -0.04 1.67 1.81 2f3oA1 ARG 297 HD2 0.01 0.04 0.00 -0.04 3.22 3.23 2f3oA1 ARG 297 HD3 0.08 0.00 0.00 -0.04 3.22 3.27 2f3oA1 GLU 298 H -0.03 0.07 -0.14 -0.55 8.60 7.96 2f3oA1 GLU 298 HA -0.02 0.17 0.52 -0.75 4.29 4.21 2f3oA1 GLU 298 HB2 -0.06 0.03 0.08 -0.04 2.09 2.09 2f3oA1 GLU 298 HB3 -0.04 -0.00 0.04 -0.04 1.99 1.96 2f3oA1 GLU 298 HG2 -0.04 -0.02 0.05 -0.04 2.34 2.29 2f3oA1 GLU 298 HG3 -0.10 0.06 0.03 -0.04 2.34 2.29 2f3oA1 LEU 299 H -0.02 0.05 -0.15 -0.55 8.37 7.70 2f3oA1 LEU 299 HA -0.07 0.14 0.58 -0.75 4.35 4.25 2f3oA1 LEU 299 HB2 -0.05 0.04 0.13 -0.04 1.64 1.72 2f3oA1 LEU 299 HB3 -0.05 -0.04 0.19 -0.04 1.64 1.70 2f3oA1 LEU 299 HG -0.20 -0.02 -0.23 -0.04 1.64 1.15 2f3oA1 LEU 299 HD13 -0.31 0.02 0.04 -0.04 0.93 0.64 2f3oA1 LEU 299 HD23 -0.01 0.01 0.06 -0.04 0.89 0.90 2f3oA1 ALA 300 H -0.01 0.44 -0.07 -0.55 8.40 8.22 2f3oA1 ALA 300 HA 0.10 0.03 0.38 -0.75 4.34 4.09 2f3oA1 ALA 300 HB3 0.02 0.04 0.02 -0.04 1.41 1.44 2f3oA1 PHE 301 H 0.16 0.36 -0.29 -0.55 8.34 8.01 2f3oA1 PHE 301 HA -0.10 0.03 0.48 -0.75 4.62 4.27 2f3oA1 PHE 301 HB2 -0.06 0.11 0.19 -0.04 3.15 3.35 2f3oA1 PHE 301 HB3 -0.07 0.16 0.13 -0.04 3.06 3.23 2f3oA1 PHE 301 HD2 -0.09 -0.02 -0.06 -0.04 7.28 7.07 2f3oA1 PHE 301 HE2 -0.09 -0.00 -0.07 -0.04 7.38 7.19 2f3oA1 PHE 301 HZ -0.09 0.12 -0.20 -0.04 7.32 7.11 2f3oA1 ASP 302 H 0.05 0.35 -0.26 -0.55 8.40 7.99 2f3oA1 ASP 302 HA -0.04 0.03 0.36 -0.75 4.63 4.23 2f3oA1 ASP 302 HB2 -0.07 0.08 0.26 -0.04 2.71 2.94 2f3oA1 ASP 302 HB3 -0.11 0.01 -0.03 -0.04 2.70 2.54 2f3oA1 ILE 303 H -0.11 0.53 -0.11 -0.55 8.25 8.00 2f3oA1 ILE 303 HA -0.22 0.03 0.44 -0.75 4.18 3.67 2f3oA1 ILE 303 HB 0.09 0.11 0.14 -0.04 1.89 2.19 2f3oA1 ILE 303 HG12 -0.86 0.03 -0.02 -0.04 1.49 0.60 2f3oA1 ILE 303 HG13 -0.47 0.09 0.01 -0.04 1.21 0.79 2f3oA1 ILE 303 HG23 -0.10 -0.01 -0.16 -0.04 0.93 0.63 2f3oA1 ILE 303 HD13 -0.21 -0.04 -0.12 -0.04 0.88 0.46 2f3oA1 LEU 304 H -0.09 0.44 -0.16 -0.55 8.37 8.01 2f3oA1 LEU 304 HA -0.06 0.03 0.39 -0.75 4.35 3.96 2f3oA1 LEU 304 HB2 -0.46 0.10 0.12 -0.04 1.64 1.36 2f3oA1 LEU 304 HB3 -0.69 -0.02 -0.00 -0.04 1.64 0.89 2f3oA1 LEU 304 HG 0.17 0.06 0.06 -0.04 1.64 1.89 2f3oA1 LEU 304 HD13 -0.11 -0.03 -0.09 -0.04 0.93 0.65 2f3oA1 LEU 304 HD23 0.11 -0.01 -0.04 -0.04 0.89 0.92 2f3oA1 ALA 305 H -0.35 0.50 -0.16 -0.55 8.40 7.84 2f3oA1 ALA 305 HA -0.35 0.03 0.42 -0.75 4.34 3.69 2f3oA1 ALA 305 HB3 -0.25 0.03 0.10 -0.04 1.41 1.25 2f3oA1 ASN 306 H -0.14 0.47 -0.22 -0.55 8.53 8.09 2f3oA1 ASN 306 HA -0.10 0.06 0.40 -0.75 4.76 4.36 2f3oA1 ASN 306 HB2 -0.12 0.11 0.20 -0.04 2.88 3.03 2f3oA1 ASN 306 HB3 -0.13 0.10 0.10 -0.04 2.79 2.82 2f3oA1 ASN 306 HD21 -0.12 0.09 0.08 -0.04 7.03 7.04 2f3oA1 ASN 306 HD22 -0.21 0.03 0.04 -0.04 7.74 7.56 2f3oA1 LEU 307 H -0.07 0.33 -0.18 -0.55 8.37 7.90 2f3oA1 LEU 307 HA -0.45 0.06 0.46 -0.75 4.35 3.67 2f3oA1 LEU 307 HB2 0.03 0.04 0.15 -0.04 1.64 1.83 2f3oA1 LEU 307 HB3 0.35 0.05 0.09 -0.04 1.64 2.09 2f3oA1 LEU 307 HG 0.08 0.02 0.01 -0.04 1.64 1.71 2f3oA1 LEU 307 HD13 0.23 -0.03 -0.03 -0.04 0.93 1.05 2f3oA1 LEU 307 HD23 0.05 0.01 -0.08 -0.04 0.89 0.83 2f3oA1 TRP 308 H 0.43 0.51 -0.03 -0.55 7.97 8.34 2f3oA1 TRP 308 HA -0.11 -0.02 0.39 -0.75 4.62 4.12 2f3oA1 TRP 308 HB2 -0.14 0.05 0.18 -0.04 3.23 3.28 2f3oA1 TRP 308 HB3 -0.09 0.08 -0.02 -0.04 3.23 3.16 2f3oA1 TRP 308 HD1 -0.05 0.08 -0.07 -0.04 7.22 7.14 2f3oA1 TRP 308 HE1 -0.04 0.00 -0.02 -0.04 10.20 10.10 2f3oA1 TRP 308 HE3 -0.11 0.04 0.04 -0.04 7.59 7.53 2f3oA1 TRP 308 HZ2 -0.05 -0.03 -0.05 -0.04 7.44 7.28 2f3oA1 TRP 308 HZ3 -0.06 -0.06 -0.03 -0.04 7.13 6.95 2f3oA1 TRP 308 HH2 -0.06 -0.11 -0.06 -0.04 7.19 6.91 2f3oA1 ILE 309 H 0.05 0.51 -0.19 -0.55 8.25 8.07 2f3oA1 ILE 309 HA 0.03 0.07 0.33 -0.75 4.18 3.85 2f3oA1 ILE 309 HB -0.06 0.02 0.10 -0.04 1.89 1.91 2f3oA1 ILE 309 HG12 0.04 0.02 -0.02 -0.04 1.49 1.49 2f3oA1 ILE 309 HG13 0.02 0.08 0.05 -0.04 1.21 1.32 2f3oA1 ILE 309 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.70 2f3oA1 ILE 309 HD13 -0.01 -0.04 -0.17 -0.04 0.88 0.62 2f3oA1 LYS 310 H -0.30 0.38 -0.27 -0.55 8.42 7.68 2f3oA1 LYS 310 HA -0.18 0.04 0.43 -0.75 4.32 3.87 2f3oA1 LYS 310 HB2 -1.25 0.06 0.16 -0.04 1.87 0.80 2f3oA1 LYS 310 HB3 -0.83 -0.03 0.03 -0.04 1.79 0.92 2f3oA1 LYS 310 HG2 -0.21 -0.05 -0.00 -0.04 1.46 1.15 2f3oA1 LYS 310 HG3 -0.38 0.21 0.06 -0.04 1.46 1.31 2f3oA1 LYS 310 HD2 -0.27 0.14 -0.07 -0.04 1.69 1.45 2f3oA1 LYS 310 HD3 -0.90 -0.00 -0.22 -0.04 1.68 0.52 2f3oA1 LYS 310 HE2 0.23 0.25 -0.33 -0.04 2.99 3.10 2f3oA1 LYS 310 HE3 -0.01 -0.02 -0.07 -0.04 2.99 2.85 2f3oA1 THR 311 H -0.25 0.46 -0.18 -0.55 8.28 7.76 2f3oA1 THR 311 HA 0.16 -0.01 0.40 -0.75 4.39 4.19 2f3oA1 THR 311 HB 0.02 -0.14 0.15 -0.04 4.32 4.30 2f3oA1 THR 311 HG23 -0.00 0.05 0.02 -0.04 1.22 1.25 2f3oA1 ASN 312 H -0.03 0.42 -0.58 -0.55 8.53 7.80 2f3oA1 ASN 312 HA 0.02 0.09 0.82 -0.75 4.76 4.94 2f3oA1 ASN 312 HB2 0.03 0.27 0.17 -0.04 2.88 3.31 2f3oA1 ASN 312 HB3 0.08 -0.01 0.21 -0.04 2.79 3.03 2f3oA1 ASN 312 HD21 0.05 -0.02 0.05 -0.04 7.03 7.08 2f3oA1 ASN 312 HD22 0.02 0.12 0.15 -0.04 7.74 7.99 2f3oA1 GLU 313 H 0.04 0.46 -0.07 -0.55 8.60 8.49 2f3oA1 GLU 313 HA 0.05 0.10 0.65 -0.75 4.29 4.33 2f3oA1 GLU 313 HB2 0.11 0.04 0.21 -0.04 2.09 2.41 2f3oA1 GLU 313 HB3 0.07 -0.15 0.19 -0.04 1.99 2.06 2f3oA1 GLU 313 HG2 0.05 -0.00 0.14 -0.04 2.34 2.49 2f3oA1 GLU 313 HG3 0.03 0.16 0.20 -0.04 2.34 2.68 2f3oA1 ILE 314 H 0.01 0.15 -0.20 -0.55 8.25 7.67 2f3oA1 ILE 314 HA 0.01 0.42 1.36 -0.75 4.18 5.20 2f3oA1 ILE 314 HB -0.03 -0.04 0.07 -0.04 1.89 1.85 2f3oA1 ILE 314 HG12 -0.09 0.01 0.05 -0.04 1.49 1.41 2f3oA1 ILE 314 HG13 -0.05 0.01 -0.10 -0.04 1.21 1.03 2f3oA1 ILE 314 HG23 -0.02 -0.01 -0.10 -0.04 0.93 0.75 2f3oA1 ILE 314 HD13 -0.06 -0.03 -0.02 -0.04 0.88 0.74 2f3oA1 VAL 315 H -0.03 0.63 0.37 -0.55 8.24 8.67 2f3oA1 VAL 315 HA -0.03 0.11 0.59 -0.75 4.13 4.05 2f3oA1 VAL 315 HB 0.02 0.01 -0.31 -0.04 2.12 1.80 2f3oA1 VAL 315 HG13 0.01 -0.00 -0.31 -0.04 0.97 0.63 2f3oA1 VAL 315 HG23 0.06 0.01 0.02 -0.04 0.95 0.99 2f3oA1 PRO 316 HA -0.28 0.03 0.35 -0.51 4.44 4.04 2f3oA1 PRO 316 HB2 -2.00 -0.07 -0.07 -0.04 2.28 0.10 2f3oA1 PRO 316 HB3 -0.70 0.18 -0.02 -0.04 2.02 1.43 2f3oA1 PRO 316 HG2 -0.37 -0.01 0.03 -0.04 2.03 1.63 2f3oA1 PRO 316 HG3 -0.28 -0.01 -0.10 -0.04 2.03 1.60 2f3oA1 PRO 316 HD2 -0.06 0.11 0.12 -0.04 3.68 3.81 2f3oA1 PRO 316 HD3 -0.10 0.23 -0.12 -0.04 3.65 3.62 2f3oA1 ALA 317 H -0.19 0.10 0.10 -0.55 8.40 7.86 2f3oA1 ALA 317 HA -0.02 0.26 0.62 -0.75 4.34 4.44 2f3oA1 ALA 317 HB3 0.03 -0.02 0.09 -0.04 1.41 1.47 2f3oA1 PHE 318 H 0.00 0.44 -0.41 -0.55 8.34 7.82 2f3oA1 PHE 318 HA 0.07 -0.02 0.41 -0.75 4.62 4.33 2f3oA1 PHE 318 HB2 0.09 0.11 -0.07 -0.04 3.15 3.24 2f3oA1 PHE 318 HB3 0.12 -0.04 -0.31 -0.04 3.06 2.79 2f3oA1 PHE 318 HD2 0.08 0.01 -0.18 -0.04 7.28 7.14 2f3oA1 PHE 318 HE2 -0.03 0.00 -0.04 -0.04 7.38 7.27 2f3oA1 PHE 318 HZ -0.25 0.04 -0.05 -0.04 7.32 7.02 2f3oA1 ASP 319 H 0.20 0.02 0.07 -0.55 8.40 8.15 2f3oA1 ASP 319 HA 0.12 0.28 0.54 -0.75 4.63 4.82 2f3oA1 ASP 319 HB2 0.08 -0.04 0.08 -0.04 2.71 2.80 2f3oA1 ASP 319 HB3 0.10 0.07 -0.18 -0.04 2.70 2.65 2f3oA1 SER 320 H 0.09 0.20 0.08 -0.55 8.46 8.28 2f3oA1 SER 320 HA 0.11 0.17 0.21 -0.75 4.49 4.22 2f3oA1 SER 320 HB2 0.07 0.05 0.04 -0.04 3.95 4.07 2f3oA1 SER 320 HB3 0.07 0.06 0.11 -0.04 3.93 4.12 2f3oA1 LEU 321 H 0.11 0.07 -0.11 -0.55 8.37 7.89 2f3oA1 LEU 321 HA 0.19 0.18 0.60 -0.75 4.35 4.57 2f3oA1 LEU 321 HB2 0.12 -0.04 0.03 -0.04 1.64 1.71 2f3oA1 LEU 321 HB3 0.20 0.09 0.03 -0.04 1.64 1.92 2f3oA1 LEU 321 HG 0.08 -0.11 0.04 -0.04 1.64 1.61 2f3oA1 LEU 321 HD13 0.04 0.03 0.00 -0.04 0.93 0.96 2f3oA1 LEU 321 HD23 0.12 0.03 -0.06 -0.04 0.89 0.95 2f3oA1 LEU 322 H 0.12 0.04 -0.23 -0.55 8.37 7.75 2f3oA1 LEU 322 HA 0.16 0.06 0.33 -0.75 4.35 4.14 2f3oA1 LEU 322 HB2 0.08 -0.06 0.03 -0.04 1.64 1.65 2f3oA1 LEU 322 HB3 -0.41 0.06 -0.03 -0.04 1.64 1.21 2f3oA1 LEU 322 HG 0.06 -0.04 -0.01 -0.04 1.64 1.62 2f3oA1 LEU 322 HD13 0.04 0.00 -0.01 -0.04 0.93 0.93 2f3oA1 LEU 322 HD23 0.05 0.02 -0.06 -0.04 0.89 0.86 2f3oA1 GLU 323 H 0.15 0.39 -0.56 -0.55 8.60 8.03 2f3oA1 GLU 323 HA 0.20 0.06 0.37 -0.75 4.29 4.17 2f3oA1 GLU 323 HB2 0.14 0.11 -0.05 -0.04 2.09 2.25 2f3oA1 GLU 323 HB3 0.14 -0.07 -0.09 -0.04 1.99 1.93 2f3oA1 GLU 323 HG2 0.26 0.07 -0.24 -0.04 2.34 2.38 2f3oA1 GLU 323 HG3 0.16 0.09 -0.17 -0.04 2.34 2.38 2f3oA1 GLN 324 H 0.15 0.49 -0.34 -0.55 8.47 8.22 2f3oA1 GLN 324 HA 0.04 0.07 0.69 -0.75 4.36 4.41 2f3oA1 GLN 324 HB2 0.10 0.17 0.16 -0.04 2.15 2.54 2f3oA1 GLN 324 HB3 -0.01 -0.04 -0.00 -0.04 2.02 1.93 2f3oA1 GLN 324 HG2 0.20 -0.06 0.03 -0.04 2.40 2.52 2f3oA1 GLN 324 HG3 0.12 0.07 0.01 -0.04 2.39 2.55 2f3oA1 GLN 324 HE21 0.05 -0.01 -0.02 -0.04 6.97 6.94 2f3oA1 GLN 324 HE22 0.05 -0.02 -0.01 -0.04 7.69 7.67 2f3oA1 TYR 325 H 0.14 0.24 -0.17 -0.55 8.29 7.96 2f3oA1 TYR 325 HA -0.37 0.14 0.37 -0.75 4.56 3.94 2f3oA1 TYR 325 HB2 -0.38 0.05 0.00 -0.04 3.06 2.69 2f3oA1 TYR 325 HB3 -0.91 -0.06 -0.01 -0.04 2.98 1.97 2f3oA1 TYR 325 HD2 -0.38 0.06 -0.00 -0.04 7.15 6.79 2f3oA1 TYR 325 HE2 -0.10 0.06 -0.14 -0.04 6.85 6.63 2f3oA1 PHE 326 H 0.04 0.31 -0.35 -0.55 8.34 7.79 2f3oA1 PHE 326 HA 0.04 -0.01 0.76 -0.75 4.62 4.65 2f3oA1 PHE 326 HB2 -0.57 0.14 0.06 -0.04 3.15 2.73 2f3oA1 PHE 326 HB3 -0.05 -0.02 0.09 -0.04 3.06 3.03 2f3oA1 PHE 326 HD2 -0.25 0.04 -0.04 -0.04 7.28 6.99 2f3oA1 PHE 326 HE2 -0.10 -0.01 -0.11 -0.04 7.38 7.12 2f3oA1 PHE 326 HZ -0.07 -0.01 -0.14 -0.04 7.32 7.06 2f3oA1 SER 327 H 0.14 0.11 -0.30 -0.55 8.46 7.86 2f3oA1 SER 327 HA 0.24 0.06 0.33 -0.75 4.49 4.36 2f3oA1 SER 327 HB2 0.08 0.11 0.12 -0.04 3.95 4.22 2f3oA1 SER 327 HB3 0.12 -0.06 -0.01 -0.04 3.93 3.94 2f3oA1 GLY 328 H 0.22 0.20 0.21 -0.55 8.43 8.51 2f3oA1 GLY 328 HA2 0.16 0.06 0.10 -0.51 4.01 3.83 2f3oA1 GLY 328 HA3 0.34 0.14 0.68 -0.51 4.01 4.65 2f3oA1 GLN 329 H 0.27 0.01 0.10 -0.55 8.47 8.31 2f3oA1 GLN 329 HA 0.13 0.02 0.35 -0.75 4.36 4.11 2f3oA1 GLN 329 HB2 0.14 0.13 -0.09 -0.04 2.15 2.29 2f3oA1 GLN 329 HB3 0.09 0.06 0.20 -0.04 2.02 2.33 2f3oA1 GLN 329 HG2 0.11 0.04 0.08 -0.04 2.40 2.59 2f3oA1 GLN 329 HG3 0.15 -0.11 -0.02 -0.04 2.39 2.36 2f3oA1 GLN 329 HE21 0.13 0.07 0.03 -0.04 6.97 7.16 2f3oA1 GLN 329 HE22 0.10 -0.04 0.05 -0.04 7.69 7.76 2f3oA1 ALA 330 H 0.24 0.14 -0.12 -0.55 8.40 8.12 2f3oA1 ALA 330 HA -0.09 0.12 0.33 -0.75 4.34 3.95 2f3oA1 ALA 330 HB3 -0.33 -0.00 -0.13 -0.04 1.41 0.91 2f3oA1 THR 331 H -0.07 0.18 0.21 -0.55 8.28 8.05 2f3oA1 THR 331 HA -0.18 0.14 0.74 -0.75 4.39 4.33 2f3oA1 THR 331 HB -0.09 0.11 0.03 -0.04 4.32 4.33 2f3oA1 THR 331 HG23 -0.13 -0.01 -0.37 -0.04 1.22 0.67 2f3oA1 ASN 332 H -0.06 0.24 0.20 -0.55 8.53 8.36 2f3oA1 ASN 332 HA -0.04 0.12 0.34 -0.75 4.76 4.43 2f3oA1 ASN 332 HB2 -0.14 0.11 -0.37 -0.04 2.88 2.43 2f3oA1 ASN 332 HB3 -0.04 0.07 0.02 -0.04 2.79 2.79 2f3oA1 ASN 332 HD21 -0.83 0.07 -0.20 -0.04 7.03 6.03 2f3oA1 ASN 332 HD22 -0.38 0.01 -0.39 -0.04 7.74 6.93 2f3oA1 GLN 333 H -0.05 0.18 0.09 -0.55 8.47 8.15 2f3oA1 GLN 333 HA -0.02 0.15 0.54 -0.75 4.36 4.27 2f3oA1 GLN 333 HB2 -0.03 -0.03 0.23 -0.04 2.15 2.28 2f3oA1 GLN 333 HB3 0.02 0.01 0.07 -0.04 2.02 2.09 2f3oA1 GLN 333 HG2 0.18 0.24 0.11 -0.04 2.40 2.90 2f3oA1 GLN 333 HG3 0.06 -0.10 0.04 -0.04 2.39 2.35 2f3oA1 GLN 333 HE21 0.35 0.02 -0.03 -0.04 6.97 7.28 2f3oA1 GLN 333 HE22 0.23 -0.02 -0.01 -0.04 7.69 7.84 2f3oA1 ALA 334 H -0.06 0.07 0.11 -0.55 8.40 7.97 2f3oA1 ALA 334 HA -0.27 0.19 0.64 -0.75 4.34 4.15 2f3oA1 ALA 334 HB3 -0.19 0.04 0.00 -0.04 1.41 1.22 2f3oA1 VAL 335 H -0.38 0.72 0.33 -0.55 8.24 8.36 2f3oA1 VAL 335 HA -0.14 0.00 0.86 -0.75 4.13 4.10 2f3oA1 VAL 335 HB -0.47 0.07 -0.21 -0.04 2.12 1.47 2f3oA1 VAL 335 HG13 -0.24 -0.02 -0.10 -0.04 0.97 0.57 2f3oA1 VAL 335 HG23 -0.30 -0.01 0.02 -0.04 0.95 0.62 2f3oA1 THR 336 H -0.13 0.59 0.31 -0.55 8.28 8.51 2f3oA1 THR 336 HA -0.08 0.37 1.20 -0.75 4.39 5.13 2f3oA1 THR 336 HB -0.25 -0.10 -0.16 -0.04 4.32 3.78 2f3oA1 THR 336 HG23 -0.26 0.04 -0.12 -0.04 1.22 0.83 2f3oA1 ILE 337 H -0.02 0.75 0.38 -0.55 8.25 8.80 2f3oA1 ILE 337 HA -0.10 0.04 1.06 -0.75 4.18 4.43 2f3oA1 ILE 337 HB -0.05 -0.13 0.14 -0.04 1.89 1.81 2f3oA1 ILE 337 HG12 0.08 0.16 -0.04 -0.04 1.49 1.66 2f3oA1 ILE 337 HG13 0.10 -0.05 -0.17 -0.04 1.21 1.06 2f3oA1 ILE 337 HG23 0.07 -0.01 -0.15 -0.04 0.93 0.79 2f3oA1 ILE 337 HD13 0.15 0.03 -0.12 -0.04 0.88 0.89 2f3oA1 GLY 338 H -0.17 -0.01 0.16 -0.55 8.43 7.86 2f3oA1 GLY 338 HA2 -0.26 -0.09 0.35 -0.51 4.01 3.49 2f3oA1 GLY 338 HA3 -0.11 0.21 0.58 -0.51 4.01 4.18 2f3oA1 GLY 339 H -0.09 0.06 0.18 -0.55 8.43 8.04 2f3oA1 GLY 339 HA2 -0.03 -0.05 0.16 -0.51 4.01 3.58 2f3oA1 GLY 339 HA3 -0.12 0.31 0.73 -0.51 4.01 4.42 2f3oA1 CYS 340 H -0.03 0.26 0.14 -0.55 8.50 8.33 2f3oA1 CYS 340 HA -0.01 0.03 0.98 -0.75 4.58 4.82 2f3oA1 CYS 340 HB2 0.04 0.02 -0.12 -0.04 2.97 2.87 2f3oA1 CYS 340 HB3 0.04 -0.15 -0.14 -0.04 2.97 2.67 2f3oA1 ASP 341 H 0.04 0.40 0.08 -0.55 8.40 8.38 2f3oA1 ASP 341 HA 0.03 0.30 0.78 -0.75 4.63 4.98 2f3oA1 ASP 341 HB2 0.10 -0.05 0.16 -0.04 2.71 2.89 2f3oA1 ASP 341 HB3 0.06 0.10 0.01 -0.04 2.70 2.83 2f3oA1 ILE 342 H 0.02 0.19 0.09 -0.55 8.25 7.99 2f3oA1 ILE 342 HA -0.05 0.19 0.44 -0.75 4.18 3.99 2f3oA1 ILE 342 HB -0.21 -0.04 0.18 -0.04 1.89 1.79 2f3oA1 ILE 342 HG12 -0.05 -0.02 0.06 -0.04 1.49 1.44 2f3oA1 ILE 342 HG13 -0.72 0.00 -0.19 -0.04 1.21 0.26 2f3oA1 ILE 342 HG23 -0.01 0.06 0.04 -0.04 0.93 0.98 2f3oA1 ILE 342 HD13 -0.14 0.01 -0.01 -0.04 0.88 0.70 2f3oA1 TYR 343 H 0.11 -0.13 -0.57 -0.55 8.29 7.15 2f3oA1 TYR 343 HA 0.03 0.28 0.86 -0.75 4.56 4.98 2f3oA1 TYR 343 HB2 0.03 -0.11 0.01 -0.04 3.06 2.95 2f3oA1 TYR 343 HB3 0.03 0.05 0.05 -0.04 2.98 3.06 2f3oA1 TYR 343 HD2 0.03 -0.03 -0.02 -0.04 7.15 7.09 2f3oA1 TYR 343 HE2 0.03 0.02 -0.03 -0.04 6.85 6.82 2f3oA1 GLY 344 H 0.10 0.12 -0.11 -0.55 8.43 7.99 2f3oA1 GLY 344 HA2 0.07 0.06 0.26 -0.51 4.01 3.88 2f3oA1 GLY 344 HA3 0.08 0.25 0.81 -0.51 4.01 4.64 2f3oA1 ASN 345 H 0.12 -0.04 -0.21 -0.55 8.53 7.86 2f3oA1 ASN 345 HA 0.05 0.11 0.48 -0.75 4.76 4.64 2f3oA1 ASN 345 HB2 0.07 -0.10 -0.01 -0.04 2.88 2.81 2f3oA1 ASN 345 HB3 0.03 0.12 0.03 -0.04 2.79 2.93 2f3oA1 ASN 345 HD21 -0.01 0.07 -0.04 -0.04 7.03 7.01 2f3oA1 ASN 345 HD22 0.08 -0.05 -0.02 -0.04 7.74 7.71 2f3oA1 ASP 346 H 0.02 0.14 0.17 -0.55 8.40 8.19 2f3oA1 ASP 346 HA -0.00 0.05 0.48 -0.75 4.63 4.40 2f3oA1 ASP 346 HB2 0.01 0.18 0.14 -0.04 2.71 3.01 2f3oA1 ASP 346 HB3 -0.00 -0.00 0.19 -0.04 2.70 2.84 2f3oA1 ALA 347 H -0.05 0.60 0.36 -0.55 8.40 8.76 2f3oA1 ALA 347 HA -0.06 0.21 0.82 -0.75 4.34 4.57 2f3oA1 ALA 347 HB3 -0.05 0.01 -0.24 -0.04 1.41 1.10 2f3oA1 THR 348 H -0.14 0.03 -0.06 -0.55 8.28 7.56 2f3oA1 THR 348 HA -0.33 -0.03 0.66 -0.75 4.39 3.93 2f3oA1 THR 348 HB -0.20 0.02 0.15 -0.04 4.32 4.24 2f3oA1 THR 348 HG23 -0.59 -0.02 -0.05 -0.04 1.22 0.52 2f3oA1 ASN 349 H -0.31 0.03 0.25 -0.55 8.53 7.95 2f3oA1 ASN 349 HA -0.24 0.29 0.76 -0.75 4.76 4.82 2f3oA1 ASN 349 HB2 -1.42 -0.12 0.20 -0.04 2.88 1.50 2f3oA1 ASN 349 HB3 -0.68 0.21 -0.00 -0.04 2.79 2.28 2f3oA1 ASN 349 HD21 -0.19 0.32 -0.01 -0.04 7.03 7.12 2f3oA1 ASN 349 HD22 -0.42 0.08 0.01 -0.04 7.74 7.36 2f3oA1 GLU 350 H -0.17 0.28 0.17 -0.55 8.60 8.34 2f3oA1 GLU 350 HA 0.18 0.09 0.31 -0.75 4.29 4.11 2f3oA1 GLU 350 HB2 0.19 0.07 0.14 -0.04 2.09 2.45 2f3oA1 GLU 350 HB3 0.32 0.04 0.02 -0.04 1.99 2.33 2f3oA1 GLU 350 HG2 0.09 -0.06 0.12 -0.04 2.34 2.45 2f3oA1 GLU 350 HG3 0.07 0.05 0.04 -0.04 2.34 2.46 2f3oA1 LEU 351 H -0.20 0.11 -0.28 -0.55 8.37 7.45 2f3oA1 LEU 351 HA -0.37 0.12 0.49 -0.75 4.35 3.83 2f3oA1 LEU 351 HB2 -0.12 -0.01 0.06 -0.04 1.64 1.53 2f3oA1 LEU 351 HB3 -0.11 0.12 0.03 -0.04 1.64 1.64 2f3oA1 LEU 351 HG -0.10 0.01 -0.02 -0.04 1.64 1.49 2f3oA1 LEU 351 HD13 -0.80 -0.00 -0.02 -0.04 0.93 0.06 2f3oA1 LEU 351 HD23 0.15 0.04 -0.15 -0.04 0.89 0.89 2f3oA1 THR 352 H -0.20 0.23 -0.24 -0.55 8.28 7.52 2f3oA1 THR 352 HA -0.15 0.08 0.51 -0.75 4.39 4.07 2f3oA1 THR 352 HB -0.59 0.12 0.18 -0.04 4.32 3.98 2f3oA1 THR 352 HG23 -0.54 -0.00 -0.01 -0.04 1.22 0.62 2f3oA1 TYR 353 H -0.01 0.23 -0.15 -0.55 8.29 7.82 2f3oA1 TYR 353 HA 0.16 0.07 0.32 -0.75 4.56 4.36 2f3oA1 TYR 353 HB2 -0.01 0.12 0.12 -0.04 3.06 3.25 2f3oA1 TYR 353 HB3 0.05 0.03 -0.05 -0.04 2.98 2.98 2f3oA1 TYR 353 HD2 0.05 0.04 -0.04 -0.04 7.15 7.16 2f3oA1 TYR 353 HE2 0.08 0.00 -0.17 -0.04 6.85 6.72 2f3oA1 LEU 354 H 0.05 0.36 -0.17 -0.55 8.37 8.07 2f3oA1 LEU 354 HA 0.10 0.03 0.41 -0.75 4.35 4.13 2f3oA1 LEU 354 HB2 -0.14 0.01 0.19 -0.04 1.64 1.66 2f3oA1 LEU 354 HB3 -0.13 0.05 -0.07 -0.04 1.64 1.44 2f3oA1 LEU 354 HG 0.01 0.03 0.03 -0.04 1.64 1.67 2f3oA1 LEU 354 HD13 -0.09 -0.01 -0.09 -0.04 0.93 0.71 2f3oA1 LEU 354 HD23 0.22 -0.01 0.04 -0.04 0.89 1.10 2f3oA1 MET 355 H -0.07 0.43 -0.30 -0.55 8.47 7.98 2f3oA1 MET 355 HA -0.42 0.03 0.33 -0.75 4.52 3.71 2f3oA1 MET 355 HB2 0.00 0.09 0.16 -0.04 2.15 2.37 2f3oA1 MET 355 HB3 0.17 0.01 -0.00 -0.04 2.03 2.17 2f3oA1 MET 355 HG2 -0.21 0.02 -0.01 -0.04 2.63 2.39 2f3oA1 MET 355 HG3 -0.16 -0.04 0.01 -0.04 2.56 2.32 2f3oA1 MET 355 HE3 0.08 0.00 -0.15 -0.04 2.10 2.00 2f3oA1 LEU 356 H 0.06 0.32 -0.31 -0.55 8.37 7.89 2f3oA1 LEU 356 HA 0.11 0.08 0.45 -0.75 4.35 4.23 2f3oA1 LEU 356 HB2 0.19 0.03 0.11 -0.04 1.64 1.93 2f3oA1 LEU 356 HB3 0.14 0.06 0.02 -0.04 1.64 1.82 2f3oA1 LEU 356 HG 0.09 -0.03 -0.05 -0.04 1.64 1.61 2f3oA1 LEU 356 HD13 -0.01 -0.02 -0.19 -0.04 0.93 0.67 2f3oA1 LEU 356 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 2f3oA1 GLU 357 H 0.08 0.44 -0.11 -0.55 8.60 8.46 2f3oA1 GLU 357 HA 0.10 0.04 0.40 -0.75 4.29 4.07 2f3oA1 GLU 357 HB2 0.20 0.13 0.23 -0.04 2.09 2.61 2f3oA1 GLU 357 HB3 0.39 -0.02 -0.06 -0.04 1.99 2.26 2f3oA1 GLU 357 HG2 0.08 0.01 0.02 -0.04 2.34 2.41 2f3oA1 GLU 357 HG3 0.12 0.02 -0.00 -0.04 2.34 2.44 2f3oA1 VAL 358 H -0.20 0.50 -0.02 -0.55 8.24 7.97 2f3oA1 VAL 358 HA -0.27 0.02 0.47 -0.75 4.13 3.60 2f3oA1 VAL 358 HB -1.39 -0.05 0.08 -0.04 2.12 0.71 2f3oA1 VAL 358 HG13 -0.91 0.12 0.03 -0.04 0.97 0.17 2f3oA1 VAL 358 HG23 -0.91 0.01 -0.17 -0.04 0.95 -0.17 2f3oA1 THR 359 H -0.13 0.34 -0.36 -0.55 8.28 7.58 2f3oA1 THR 359 HA 0.22 0.06 0.40 -0.75 4.39 4.32 2f3oA1 THR 359 HB 0.14 0.09 0.17 -0.04 4.32 4.67 2f3oA1 THR 359 HG23 0.19 0.00 -0.11 -0.04 1.22 1.26 2f3oA1 ASP 360 H 0.06 0.42 -0.18 -0.55 8.40 8.14 2f3oA1 ASP 360 HA 0.08 0.03 0.28 -0.75 4.63 4.26 2f3oA1 ASP 360 HB2 0.06 0.05 0.11 -0.04 2.71 2.89 2f3oA1 ASP 360 HB3 0.06 0.03 0.08 -0.04 2.70 2.84 2f3oA1 ARG 361 H 0.07 0.40 -0.17 -0.55 8.46 8.21 2f3oA1 ARG 361 HA 0.06 0.02 0.41 -0.75 4.34 4.08 2f3oA1 ARG 361 HB2 0.13 -0.10 0.07 -0.04 1.90 1.95 2f3oA1 ARG 361 HB3 0.13 0.04 0.16 -0.04 1.80 2.09 2f3oA1 ARG 361 HG2 0.16 -0.13 -0.05 -0.04 1.67 1.60 2f3oA1 ARG 361 HG3 0.06 0.12 -0.39 -0.04 1.67 1.42 2f3oA1 ARG 361 HD2 0.04 0.10 0.01 -0.04 3.22 3.33 2f3oA1 ARG 361 HD3 0.05 -0.07 -0.01 -0.04 3.22 3.15 2f3oA1 LEU 362 H 0.06 0.39 -0.19 -0.55 8.37 8.08 2f3oA1 LEU 362 HA 0.07 -0.01 0.19 -0.75 4.35 3.84 2f3oA1 LEU 362 HB2 0.09 0.20 0.17 -0.04 1.64 2.06 2f3oA1 LEU 362 HB3 0.14 -0.07 -0.07 -0.04 1.64 1.60 2f3oA1 LEU 362 HG 0.07 0.03 -0.02 -0.04 1.64 1.69 2f3oA1 LEU 362 HD13 0.02 -0.03 -0.06 -0.04 0.93 0.82 2f3oA1 LEU 362 HD23 0.00 -0.00 0.01 -0.04 0.89 0.86 2f3oA1 ARG 363 H 0.12 0.37 -0.09 -0.55 8.46 8.31 2f3oA1 ARG 363 HA 0.13 0.05 0.30 -0.75 4.34 4.06 2f3oA1 ARG 363 HB2 0.17 0.04 0.04 -0.04 1.90 2.11 2f3oA1 ARG 363 HB3 0.17 0.03 0.21 -0.04 1.80 2.17 2f3oA1 ARG 363 HG2 0.11 -0.01 0.02 -0.04 1.67 1.74 2f3oA1 ARG 363 HG3 0.10 0.09 -0.35 -0.04 1.67 1.47 2f3oA1 ARG 363 HD2 0.13 -0.09 0.00 -0.04 3.22 3.22 2f3oA1 ARG 363 HD3 0.14 0.05 0.07 -0.04 3.22 3.45 2f3oA1 LEU 364 H 0.14 -0.04 -0.32 -0.55 8.37 7.60 2f3oA1 LEU 364 HA 0.26 0.19 0.70 -0.75 4.35 4.75 2f3oA1 LEU 364 HB2 0.12 0.01 -0.09 -0.04 1.64 1.63 2f3oA1 LEU 364 HB3 0.15 -0.04 0.11 -0.04 1.64 1.82 2f3oA1 LEU 364 HG 0.14 0.09 -0.21 -0.04 1.64 1.62 2f3oA1 LEU 364 HD13 0.10 -0.01 -0.03 -0.04 0.93 0.95 2f3oA1 LEU 364 HD23 0.19 0.02 0.00 -0.04 0.89 1.06 2f3oA1 ARG 365 H -0.10 0.17 0.11 -0.55 8.46 8.08 2f3oA1 ARG 365 HA -0.20 0.06 0.24 -0.75 4.34 3.69 2f3oA1 ARG 365 HB2 -0.23 0.19 0.11 -0.04 1.90 1.93 2f3oA1 ARG 365 HB3 -1.06 -0.09 0.04 -0.04 1.80 0.65 2f3oA1 ARG 365 HG2 -0.07 -0.01 0.13 -0.04 1.67 1.68 2f3oA1 ARG 365 HG3 -0.05 0.02 -0.09 -0.04 1.67 1.51 2f3oA1 ARG 365 HD2 -0.12 -0.13 0.09 -0.04 3.22 3.02 2f3oA1 ARG 365 HD3 0.11 0.06 0.09 -0.04 3.22 3.45 2f3oA1 GLN 366 H -0.00 0.08 -0.47 -0.55 8.47 7.53 2f3oA1 GLN 366 HA -0.05 0.22 0.88 -0.75 4.36 4.66 2f3oA1 GLN 366 HB2 -0.01 0.02 -0.06 -0.04 2.15 2.05 2f3oA1 GLN 366 HB3 -0.05 -0.03 -0.09 -0.04 2.02 1.80 2f3oA1 GLN 366 HG2 0.00 0.09 -0.34 -0.04 2.40 2.11 2f3oA1 GLN 366 HG3 -0.01 0.10 0.06 -0.04 2.39 2.50 2f3oA1 GLN 366 HE21 0.04 -0.17 0.14 -0.04 6.97 6.93 2f3oA1 GLN 366 HE22 0.09 0.25 0.13 -0.04 7.69 8.11 2f3oA1 PRO 367 HA -0.20 0.10 0.20 -0.51 4.44 4.03 2f3oA1 PRO 367 HB2 -0.62 -0.06 -0.13 -0.04 2.28 1.43 2f3oA1 PRO 367 HB3 -0.54 0.04 -0.02 -0.04 2.02 1.47 2f3oA1 PRO 367 HG2 -1.92 -0.09 0.03 -0.04 2.03 0.00 2f3oA1 PRO 367 HG3 -1.03 0.06 0.16 -0.04 2.03 1.19 2f3oA1 PRO 367 HD2 -0.19 0.03 0.07 -0.04 3.68 3.54 2f3oA1 PRO 367 HD3 -0.11 0.21 0.06 -0.04 3.65 3.77 2f3oA1 ASN 368 H -0.18 0.35 0.01 -0.55 8.53 8.16 2f3oA1 ASN 368 HA -0.04 0.20 0.90 -0.75 4.76 5.07 2f3oA1 ASN 368 HB2 -0.03 -0.11 0.05 -0.04 2.88 2.75 2f3oA1 ASN 368 HB3 -0.29 -0.08 0.13 -0.04 2.79 2.51 2f3oA1 ASN 368 HD21 0.37 0.37 0.33 -0.04 7.03 8.05 2f3oA1 ASN 368 HD22 0.18 -0.03 -0.00 -0.04 7.74 7.84 2f3oA1 VAL 369 H -0.04 0.41 0.11 -0.55 8.24 8.17 2f3oA1 VAL 369 HA -0.19 0.09 0.95 -0.75 4.13 4.23 2f3oA1 VAL 369 HB 0.03 -0.09 -0.00 -0.04 2.12 2.02 2f3oA1 VAL 369 HG13 0.07 0.10 0.04 -0.04 0.97 1.14 2f3oA1 VAL 369 HG23 0.15 -0.04 -0.12 -0.04 0.95 0.90 2f3oA1 HIS 370 H -0.03 0.60 0.40 -0.55 8.41 8.84 2f3oA1 HIS 370 HA 0.23 0.17 0.94 -0.75 4.63 5.21 2f3oA1 HIS 370 HB2 -0.15 0.00 0.21 -0.04 3.26 3.29 2f3oA1 HIS 370 HB3 -0.32 -0.04 -0.10 -0.04 3.20 2.70 2f3oA1 HIS 370 HD2 0.25 0.03 -0.44 -0.04 6.97 6.76 2f3oA1 HIS 370 HE1 0.01 -0.05 -0.62 -0.04 7.75 7.04 2f3oA1 VAL 371 H 0.28 0.84 0.38 -0.55 8.24 9.20 2f3oA1 VAL 371 HA 0.09 0.20 1.01 -0.75 4.13 4.68 2f3oA1 VAL 371 HB 0.07 -0.03 0.15 -0.04 2.12 2.27 2f3oA1 VAL 371 HG13 0.20 -0.02 -0.16 -0.04 0.97 0.95 2f3oA1 VAL 371 HG23 0.11 0.01 -0.12 -0.04 0.95 0.92 2f3oA1 ARG 372 H -0.01 0.68 0.28 -0.55 8.46 8.86 2f3oA1 ARG 372 HA 0.06 0.24 0.88 -0.75 4.34 4.77 2f3oA1 ARG 372 HB2 -0.11 0.09 -0.28 -0.04 1.90 1.55 2f3oA1 ARG 372 HB3 -0.06 -0.13 -0.08 -0.04 1.80 1.49 2f3oA1 ARG 372 HG2 -0.07 0.01 -0.11 -0.04 1.67 1.45 2f3oA1 ARG 372 HG3 -0.24 -0.01 -0.16 -0.04 1.67 1.22 2f3oA1 ARG 372 HD2 -1.30 0.07 -0.17 -0.04 3.22 1.78 2f3oA1 ARG 372 HD3 -0.45 0.07 -0.10 -0.04 3.22 2.70 2f3oA1 ILE 373 H -0.05 0.78 0.42 -0.55 8.25 8.86 2f3oA1 ILE 373 HA 0.07 0.06 0.82 -0.75 4.18 4.38 2f3oA1 ILE 373 HB 0.09 -0.01 0.08 -0.04 1.89 2.00 2f3oA1 ILE 373 HG12 -0.29 0.10 0.01 -0.04 1.49 1.26 2f3oA1 ILE 373 HG13 -0.16 -0.03 -0.16 -0.04 1.21 0.82 2f3oA1 ILE 373 HG23 0.10 -0.01 -0.17 -0.04 0.93 0.81 2f3oA1 ILE 373 HD13 -0.10 0.00 -0.12 -0.04 0.88 0.62 2f3oA1 ASN 374 H 0.10 0.20 0.22 -0.55 8.53 8.51 2f3oA1 ASN 374 HA 0.16 0.17 0.74 -0.75 4.76 5.08 2f3oA1 ASN 374 HB2 0.09 -0.05 0.19 -0.04 2.88 3.07 2f3oA1 ASN 374 HB3 0.11 0.07 -0.01 -0.04 2.79 2.92 2f3oA1 ASN 374 HD21 0.03 0.05 -0.35 -0.04 7.03 6.71 2f3oA1 ASN 374 HD22 0.06 0.06 -0.25 -0.04 7.74 7.57 2f3oA1 LYS 375 H 0.09 0.20 0.15 -0.55 8.42 8.31 2f3oA1 LYS 375 HA 0.08 0.15 0.39 -0.75 4.32 4.18 2f3oA1 LYS 375 HB2 0.06 0.01 0.12 -0.04 1.87 2.01 2f3oA1 LYS 375 HB3 0.05 0.06 0.14 -0.04 1.79 2.00 2f3oA1 LYS 375 HG2 0.06 0.02 -0.02 -0.04 1.46 1.48 2f3oA1 LYS 375 HG3 0.07 -0.04 0.04 -0.04 1.46 1.49 2f3oA1 LYS 375 HD2 0.04 0.01 0.02 -0.04 1.69 1.72 2f3oA1 LYS 375 HD3 0.04 0.00 0.02 -0.04 1.68 1.70 2f3oA1 LYS 375 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.90 2f3oA1 LYS 375 HE3 0.03 0.03 -0.05 -0.04 2.99 2.96 2f3oA1 GLY 376 H 0.07 -0.05 -0.49 -0.55 8.43 7.41 2f3oA1 GLY 376 HA2 0.05 0.27 0.87 -0.51 4.01 4.69 2f3oA1 GLY 376 HA3 0.05 0.01 0.26 -0.51 4.01 3.82 2f3oA1 SER 377 H 0.08 0.31 -0.14 -0.55 8.46 8.16 2f3oA1 SER 377 HA 0.05 0.04 0.53 -0.75 4.49 4.35 2f3oA1 SER 377 HB2 0.12 0.09 0.09 -0.04 3.95 4.21 2f3oA1 SER 377 HB3 0.19 0.03 0.08 -0.04 3.93 4.20 2f3oA1 PRO 378 HA 0.08 0.15 0.46 -0.51 4.44 4.62 2f3oA1 PRO 378 HB2 0.21 -0.22 0.05 -0.04 2.28 2.29 2f3oA1 PRO 378 HB3 0.11 0.09 0.13 -0.04 2.02 2.32 2f3oA1 PRO 378 HG2 0.05 0.02 0.09 -0.04 2.03 2.15 2f3oA1 PRO 378 HG3 0.04 0.15 0.13 -0.04 2.03 2.31 2f3oA1 PRO 378 HD2 0.05 0.03 0.22 -0.04 3.68 3.94 2f3oA1 PRO 378 HD3 -0.01 0.13 0.30 -0.04 3.65 4.02 2f3oA1 GLU 379 H 0.08 0.21 0.19 -0.55 8.60 8.53 2f3oA1 GLU 379 HA 0.07 0.14 0.33 -0.75 4.29 4.08 2f3oA1 GLU 379 HB2 0.05 0.11 0.13 -0.04 2.09 2.34 2f3oA1 GLU 379 HB3 0.05 -0.03 0.15 -0.04 1.99 2.12 2f3oA1 GLU 379 HG2 0.03 0.06 -0.00 -0.04 2.34 2.39 2f3oA1 GLU 379 HG3 0.04 -0.03 -0.18 -0.04 2.34 2.14 2f3oA1 SER 380 H 0.11 0.11 -0.11 -0.55 8.46 8.02 2f3oA1 SER 380 HA 0.08 0.10 0.39 -0.75 4.49 4.31 2f3oA1 SER 380 HB2 0.15 0.05 -0.07 -0.04 3.95 4.05 2f3oA1 SER 380 HB3 0.07 0.07 0.07 -0.04 3.93 4.10 2f3oA1 PHE 381 H 0.32 0.14 -0.37 -0.55 8.34 7.88 2f3oA1 PHE 381 HA 0.17 0.05 0.32 -0.75 4.62 4.40 2f3oA1 PHE 381 HB2 -0.10 -0.06 0.06 -0.04 3.15 3.01 2f3oA1 PHE 381 HB3 -0.03 0.19 0.08 -0.04 3.06 3.26 2f3oA1 PHE 381 HD2 -0.35 -0.01 -0.05 -0.04 7.28 6.84 2f3oA1 PHE 381 HE2 -0.17 0.08 -0.11 -0.04 7.38 7.14 2f3oA1 PHE 381 HZ -0.11 0.06 -0.11 -0.04 7.32 7.12 2f3oA1 LEU 382 H 0.09 0.40 -0.21 -0.55 8.37 8.11 2f3oA1 LEU 382 HA -0.17 0.05 0.43 -0.75 4.35 3.91 2f3oA1 LEU 382 HB2 0.03 0.13 0.08 -0.04 1.64 1.84 2f3oA1 LEU 382 HB3 0.01 -0.02 -0.04 -0.04 1.64 1.55 2f3oA1 LEU 382 HG 0.09 0.09 -0.13 -0.04 1.64 1.64 2f3oA1 LEU 382 HD13 0.07 0.01 -0.07 -0.04 0.93 0.89 2f3oA1 LEU 382 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.78 2f3oA1 LYS 383 H 0.02 0.49 -0.15 -0.55 8.42 8.22 2f3oA1 LYS 383 HA -0.02 0.02 0.49 -0.75 4.32 4.05 2f3oA1 LYS 383 HB2 0.03 0.12 0.21 -0.04 1.87 2.19 2f3oA1 LYS 383 HB3 0.01 -0.02 -0.02 -0.04 1.79 1.72 2f3oA1 LYS 383 HG2 0.00 -0.04 0.01 -0.04 1.46 1.39 2f3oA1 LYS 383 HG3 0.02 0.08 -0.02 -0.04 1.46 1.50 2f3oA1 LYS 383 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.62 2f3oA1 LYS 383 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.61 2f3oA1 LYS 383 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2f3oA1 LYS 383 HE3 0.00 -0.02 -0.03 -0.04 2.99 2.90 2f3oA1 ARG 384 H 0.00 0.60 -0.08 -0.55 8.46 8.43 2f3oA1 ARG 384 HA -0.00 0.02 0.33 -0.75 4.34 3.93 2f3oA1 ARG 384 HB2 0.13 0.12 0.11 -0.04 1.90 2.22 2f3oA1 ARG 384 HB3 0.02 0.06 0.00 -0.04 1.80 1.84 2f3oA1 ARG 384 HG2 0.10 0.02 -0.04 -0.04 1.67 1.71 2f3oA1 ARG 384 HG3 0.05 -0.01 0.04 -0.04 1.67 1.72 2f3oA1 ARG 384 HD2 0.08 -0.00 -0.03 -0.04 3.22 3.23 2f3oA1 ARG 384 HD3 0.29 -0.04 -0.06 -0.04 3.22 3.37 2f3oA1 LEU 385 H -0.25 0.43 -0.28 -0.55 8.37 7.72 2f3oA1 LEU 385 HA -0.16 0.07 0.57 -0.75 4.35 4.07 2f3oA1 LEU 385 HB2 -0.26 0.09 0.15 -0.04 1.64 1.58 2f3oA1 LEU 385 HB3 -0.14 -0.02 -0.12 -0.04 1.64 1.31 2f3oA1 LEU 385 HG -0.97 0.01 -0.02 -0.04 1.64 0.61 2f3oA1 LEU 385 HD13 -0.36 -0.02 -0.12 -0.04 0.93 0.39 2f3oA1 LEU 385 HD23 -0.14 -0.00 -0.05 -0.04 0.89 0.65 2f3oA1 ALA 386 H -0.09 0.46 -0.24 -0.55 8.40 7.99 2f3oA1 ALA 386 HA -0.08 0.01 0.34 -0.75 4.34 3.86 2f3oA1 ALA 386 HB3 -0.06 0.03 0.12 -0.04 1.41 1.46 2f3oA1 GLU 387 H -0.04 0.46 -0.20 -0.55 8.60 8.27 2f3oA1 GLU 387 HA -0.03 -0.01 0.37 -0.75 4.29 3.87 2f3oA1 GLU 387 HB2 -0.01 0.09 0.06 -0.04 2.09 2.19 2f3oA1 GLU 387 HB3 -0.01 0.02 -0.06 -0.04 1.99 1.90 2f3oA1 GLU 387 HG2 -0.01 -0.03 -0.01 -0.04 2.34 2.24 2f3oA1 GLU 387 HG3 -0.02 0.00 -0.01 -0.04 2.34 2.28 2f3oA1 ALA 388 H -0.02 0.31 -0.32 -0.55 8.40 7.82 2f3oA1 ALA 388 HA 0.02 0.10 0.35 -0.75 4.34 4.05 2f3oA1 ALA 388 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 2f3oA1 ILE 389 H -0.02 0.45 -0.18 -0.55 8.25 7.95 2f3oA1 ILE 389 HA 0.03 -0.06 0.30 -0.75 4.18 3.70 2f3oA1 ILE 389 HB -0.07 0.05 0.10 -0.04 1.89 1.93 2f3oA1 ILE 389 HG12 0.09 -0.07 -0.02 -0.04 1.49 1.45 2f3oA1 ILE 389 HG13 0.02 0.16 0.03 -0.04 1.21 1.39 2f3oA1 ILE 389 HG23 -0.05 -0.00 -0.17 -0.04 0.93 0.67 2f3oA1 ILE 389 HD13 0.20 -0.02 -0.12 -0.04 0.88 0.90 2f3oA1 SER 390 H -0.06 0.57 -0.12 -0.55 8.46 8.30 2f3oA1 SER 390 HA -0.07 0.02 0.35 -0.75 4.49 4.04 2f3oA1 SER 390 HB2 -0.05 -0.12 -0.10 -0.04 3.95 3.64 2f3oA1 SER 390 HB3 -0.09 0.08 -0.02 -0.04 3.93 3.86 2f3oA1 SER 391 H -0.01 0.43 -0.35 -0.55 8.46 7.98 2f3oA1 SER 391 HA 0.01 0.06 0.64 -0.75 4.49 4.44 2f3oA1 SER 391 HB2 0.02 -0.03 0.18 -0.04 3.95 4.07 2f3oA1 SER 391 HB3 0.00 -0.09 0.10 -0.04 3.93 3.90 2f3oA1 GLY 392 H 0.01 0.29 -0.69 -0.55 8.43 7.50 2f3oA1 GLY 392 HA2 0.03 -0.07 0.35 -0.51 4.01 3.81 2f3oA1 GLY 392 HA3 0.05 0.03 0.22 -0.51 4.01 3.80 2f3oA1 CYS 393 H 0.05 0.32 -0.09 -0.55 8.50 8.23 2f3oA1 CYS 393 HA 0.09 0.18 0.42 -0.75 4.58 4.51 2f3oA1 CYS 393 HB2 0.08 0.06 -0.01 -0.04 2.97 3.05 2f3oA1 CYS 393 HB3 0.06 0.09 0.03 -0.04 2.97 3.11 2f3oA1 ASN 394 H 0.06 -0.00 -0.11 -0.55 8.53 7.93 2f3oA1 ASN 394 HA 0.06 0.03 0.32 -0.75 4.76 4.41 2f3oA1 ASN 394 HB2 0.05 0.28 -0.42 -0.04 2.88 2.74 2f3oA1 ASN 394 HB3 0.02 -0.12 -0.03 -0.04 2.79 2.63 2f3oA1 ASN 394 HD21 0.01 0.05 0.08 -0.04 7.03 7.13 2f3oA1 ASN 394 HD22 0.01 0.48 0.18 -0.04 7.74 8.36 2f3oA1 ASN 395 H 0.07 -0.11 -0.19 -0.55 8.53 7.75 2f3oA1 ASN 395 HA 0.05 0.13 0.63 -0.75 4.76 4.82 2f3oA1 ASN 395 HB2 0.07 0.03 0.12 -0.04 2.88 3.06 2f3oA1 ASN 395 HB3 0.06 0.23 -0.27 -0.04 2.79 2.77 2f3oA1 ASN 395 HD21 0.12 0.17 -0.07 -0.04 7.03 7.21 2f3oA1 ASN 395 HD22 0.12 0.04 -0.01 -0.04 7.74 7.85 2f3oA1 LEU 396 H 0.08 0.06 0.08 -0.55 8.37 8.04 2f3oA1 LEU 396 HA 0.12 0.32 0.91 -0.75 4.35 4.94 2f3oA1 LEU 396 HB2 0.08 -0.13 0.02 -0.04 1.64 1.58 2f3oA1 LEU 396 HB3 0.07 -0.02 -0.13 -0.04 1.64 1.52 2f3oA1 LEU 396 HG 0.07 -0.00 -0.03 -0.04 1.64 1.64 2f3oA1 LEU 396 HD13 0.10 0.04 -0.15 -0.04 0.93 0.88 2f3oA1 LEU 396 HD23 0.03 -0.03 -0.07 -0.04 0.89 0.79 2f3oA1 ALA 397 H 0.20 0.47 0.35 -0.55 8.40 8.87 2f3oA1 ALA 397 HA -0.05 0.11 0.72 -0.75 4.34 4.37 2f3oA1 ALA 397 HB3 0.25 0.02 -0.01 -0.04 1.41 1.62 2f3oA1 LEU 398 H -0.37 0.73 0.36 -0.55 8.37 8.55 2f3oA1 LEU 398 HA -0.09 0.26 1.05 -0.75 4.35 4.82 2f3oA1 LEU 398 HB2 -0.30 0.04 0.17 -0.04 1.64 1.51 2f3oA1 LEU 398 HB3 -0.52 -0.03 -0.03 -0.04 1.64 1.02 2f3oA1 LEU 398 HG -0.05 -0.04 -0.23 -0.04 1.64 1.28 2f3oA1 LEU 398 HD13 0.10 -0.02 -0.12 -0.04 0.93 0.85 2f3oA1 LEU 398 HD23 -0.06 0.02 -0.08 -0.04 0.89 0.73 2f3oA1 PHE 399 H -0.02 0.69 0.41 -0.55 8.34 8.86 2f3oA1 PHE 399 HA -0.12 0.31 1.08 -0.75 4.62 5.14 2f3oA1 PHE 399 HB2 -0.02 -0.06 -0.05 -0.04 3.15 2.98 2f3oA1 PHE 399 HB3 0.10 0.01 -0.10 -0.04 3.06 3.02 2f3oA1 PHE 399 HD2 -0.00 -0.01 -0.24 -0.04 7.28 6.99 2f3oA1 PHE 399 HE2 -0.25 0.16 -0.15 -0.04 7.38 7.10 2f3oA1 PHE 399 HZ -0.62 0.22 -0.01 -0.04 7.32 6.87 2f3oA1 PHE 400 H 0.13 0.83 0.32 -0.55 8.34 9.07 2f3oA1 PHE 400 HA 0.09 0.22 0.87 -0.75 4.62 5.04 2f3oA1 PHE 400 HB2 -0.04 0.28 0.28 -0.04 3.15 3.63 2f3oA1 PHE 400 HB3 0.01 -0.13 0.11 -0.04 3.06 3.00 2f3oA1 PHE 400 HD2 -0.05 0.02 -0.41 -0.04 7.28 6.79 2f3oA1 PHE 400 HE2 -0.08 -0.02 -0.26 -0.04 7.38 6.98 2f3oA1 PHE 400 HZ -0.03 -0.02 -0.15 -0.04 7.32 7.08 2f3oA1 ASP 401 H 0.19 0.54 0.40 -0.55 8.40 8.98 2f3oA1 ASP 401 HA 0.28 0.10 0.23 -0.75 4.63 4.48 2f3oA1 ASP 401 HB2 0.14 -0.12 0.16 -0.04 2.71 2.85 2f3oA1 ASP 401 HB3 0.16 0.04 -0.04 -0.04 2.70 2.82 2f3oA1 ASP 402 H 0.13 0.06 -0.01 -0.55 8.40 8.03 2f3oA1 ASP 402 HA 0.07 0.06 0.44 -0.75 4.63 4.44 2f3oA1 ASP 402 HB2 0.08 -0.09 0.14 -0.04 2.71 2.80 2f3oA1 ASP 402 HB3 0.07 0.07 0.07 -0.04 2.70 2.86 2f3oA1 ALA 403 H 0.08 0.24 -0.17 -0.55 8.40 8.00 2f3oA1 ALA 403 HA 0.05 0.05 0.33 -0.75 4.34 4.01 2f3oA1 ALA 403 HB3 -0.00 0.04 -0.11 -0.04 1.41 1.30 2f3oA1 ALA 404 H 0.01 0.34 -0.20 -0.55 8.40 7.99 2f3oA1 ALA 404 HA -0.12 0.10 0.44 -0.75 4.34 4.01 2f3oA1 ALA 404 HB3 -0.34 0.02 -0.02 -0.04 1.41 1.03 2f3oA1 VAL 405 H -0.06 0.66 -0.01 -0.55 8.24 8.28 2f3oA1 VAL 405 HA -0.12 0.11 0.45 -0.75 4.13 3.82 2f3oA1 VAL 405 HB 0.02 -0.07 -0.10 -0.04 2.12 1.93 2f3oA1 VAL 405 HG13 0.11 0.10 -0.08 -0.04 0.97 1.06 2f3oA1 VAL 405 HG23 0.04 0.03 -0.13 -0.04 0.95 0.84 2f3oA1 LYS 406 H -0.01 0.26 -0.45 -0.55 8.42 7.66 2f3oA1 LYS 406 HA 0.01 0.04 0.50 -0.75 4.32 4.11 2f3oA1 LYS 406 HB2 0.03 0.13 0.11 -0.04 1.87 2.09 2f3oA1 LYS 406 HB3 0.03 0.10 0.05 -0.04 1.79 1.93 2f3oA1 LYS 406 HG2 0.03 -0.01 -0.06 -0.04 1.46 1.38 2f3oA1 LYS 406 HG3 0.02 -0.03 0.04 -0.04 1.46 1.46 2f3oA1 LYS 406 HD2 0.05 -0.03 -0.03 -0.04 1.69 1.63 2f3oA1 LYS 406 HD3 0.03 -0.02 -0.02 -0.04 1.68 1.63 2f3oA1 LYS 406 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.95 2f3oA1 LYS 406 HE3 0.04 0.12 -0.07 -0.04 2.99 3.03 2f3oA1 ALA 407 H -0.03 0.29 -0.32 -0.55 8.40 7.80 2f3oA1 ALA 407 HA -0.00 0.23 0.38 -0.75 4.34 4.20 2f3oA1 ALA 407 HB3 -0.02 0.05 -0.05 -0.04 1.41 1.35 2f3oA1 LEU 408 H -0.09 0.30 -0.29 -0.55 8.37 7.75 2f3oA1 LEU 408 HA -0.12 0.11 0.37 -0.75 4.35 3.96 2f3oA1 LEU 408 HB2 -0.09 0.01 0.07 -0.04 1.64 1.59 2f3oA1 LEU 408 HB3 -0.09 -0.07 -0.07 -0.04 1.64 1.36 2f3oA1 LEU 408 HG -0.17 0.10 -0.03 -0.04 1.64 1.50 2f3oA1 LEU 408 HD13 -0.19 -0.03 -0.16 -0.04 0.93 0.51 2f3oA1 LEU 408 HD23 -0.13 0.00 -0.16 -0.04 0.89 0.56 2f3oA1 LYS 409 H -0.03 0.49 -0.23 -0.55 8.42 8.10 2f3oA1 LYS 409 HA 0.01 0.14 0.44 -0.75 4.32 4.16 2f3oA1 LYS 409 HB2 0.01 0.13 0.18 -0.04 1.87 2.14 2f3oA1 LYS 409 HB3 0.02 -0.04 -0.00 -0.04 1.79 1.73 2f3oA1 LYS 409 HG2 0.02 -0.05 0.02 -0.04 1.46 1.41 2f3oA1 LYS 409 HG3 0.01 0.02 -0.09 -0.04 1.46 1.37 2f3oA1 LYS 409 HD2 0.02 -0.11 -0.02 -0.04 1.69 1.54 2f3oA1 LYS 409 HD3 0.02 0.12 -0.03 -0.04 1.68 1.74 2f3oA1 LYS 409 HE2 0.02 0.03 -0.02 -0.04 2.99 2.98 2f3oA1 LYS 409 HE3 0.02 -0.02 -0.00 -0.04 2.99 2.95 2f3oA1 ASN 410 H -0.01 0.41 -0.41 -0.55 8.53 7.98 2f3oA1 ASN 410 HA 0.02 0.03 0.61 -0.75 4.76 4.66 2f3oA1 ASN 410 HB2 -0.00 0.27 0.19 -0.04 2.88 3.29 2f3oA1 ASN 410 HB3 0.01 -0.06 0.10 -0.04 2.79 2.79 2f3oA1 ASN 410 HD21 0.02 -0.15 -0.04 -0.04 7.03 6.81 2f3oA1 ASN 410 HD22 0.01 0.05 -0.07 -0.04 7.74 7.70 2f3oA1 ALA 411 H -0.03 0.33 -0.35 -0.55 8.40 7.80 2f3oA1 ALA 411 HA -0.00 0.13 0.65 -0.75 4.34 4.37 2f3oA1 ALA 411 HB3 -0.26 -0.00 0.10 -0.04 1.41 1.21 2f3oA1 GLU 412 H 0.05 0.17 -0.83 -0.55 8.60 7.44 2f3oA1 GLU 412 HA 0.08 0.13 0.24 -0.75 4.29 3.98 2f3oA1 GLU 412 HB2 0.15 0.17 -0.16 -0.04 2.09 2.21 2f3oA1 GLU 412 HB3 0.13 -0.10 0.20 -0.04 1.99 2.18 2f3oA1 GLU 412 HG2 0.07 -0.09 0.01 -0.04 2.34 2.28 2f3oA1 GLU 412 HG3 0.06 0.08 -0.05 -0.04 2.34 2.40 2f3oA1 VAL 413 H 0.03 0.46 -0.11 -0.55 8.24 8.08 2f3oA1 VAL 413 HA 0.05 0.07 0.66 -0.75 4.13 4.16 2f3oA1 VAL 413 HB -0.07 -0.07 -0.31 -0.04 2.12 1.64 2f3oA1 VAL 413 HG13 -0.28 0.02 -0.21 -0.04 0.97 0.46 2f3oA1 VAL 413 HG23 -0.18 0.04 -0.16 -0.04 0.95 0.61 2f3oA1 ASP 414 H 0.23 0.12 0.07 -0.55 8.40 8.27 2f3oA1 ASP 414 HA 0.08 0.13 0.44 -0.75 4.63 4.53 2f3oA1 ASP 414 HB2 0.19 -0.02 0.09 -0.04 2.71 2.93 2f3oA1 ASP 414 HB3 0.08 -0.18 -0.05 -0.04 2.70 2.51 2f3oA1 ASP 415 H 0.04 0.19 0.14 -0.55 8.40 8.23 2f3oA1 ASP 415 HA 0.02 0.15 0.43 -0.75 4.63 4.47 2f3oA1 ASP 415 HB2 0.01 -0.07 0.20 -0.04 2.71 2.81 2f3oA1 ASP 415 HB3 -0.01 0.07 0.01 -0.04 2.70 2.73 2f3oA1 ARG 416 H 0.01 0.12 -0.08 -0.55 8.46 7.96 2f3oA1 ARG 416 HA -0.03 0.09 0.35 -0.75 4.34 3.99 2f3oA1 ARG 416 HB2 -0.01 0.04 -0.02 -0.04 1.90 1.87 2f3oA1 ARG 416 HB3 -0.07 0.06 0.10 -0.04 1.80 1.85 2f3oA1 ARG 416 HG2 0.01 -0.05 0.06 -0.04 1.67 1.65 2f3oA1 ARG 416 HG3 0.05 -0.06 -0.03 -0.04 1.67 1.59 2f3oA1 ARG 416 HD2 0.03 0.04 -0.03 -0.04 3.22 3.22 2f3oA1 ARG 416 HD3 -0.00 0.01 -0.01 -0.04 3.22 3.18 2f3oA1 ASP 417 H 0.07 0.06 -0.40 -0.55 8.40 7.58 2f3oA1 ASP 417 HA 0.10 0.09 0.40 -0.75 4.63 4.47 2f3oA1 ASP 417 HB2 0.14 -0.03 0.04 -0.04 2.71 2.82 2f3oA1 ASP 417 HB3 0.07 0.03 -0.05 -0.04 2.70 2.71 2f3oA1 ALA 418 H 0.04 0.56 -0.28 -0.55 8.40 8.17 2f3oA1 ALA 418 HA 0.03 0.05 0.41 -0.75 4.34 4.08 2f3oA1 ALA 418 HB3 0.00 0.01 -0.03 -0.04 1.41 1.35 2f3oA1 LEU 419 H 0.06 0.59 -0.02 -0.55 8.37 8.45 2f3oA1 LEU 419 HA 0.13 -0.03 0.41 -0.75 4.35 4.10 2f3oA1 LEU 419 HB2 0.02 0.03 0.09 -0.04 1.64 1.74 2f3oA1 LEU 419 HB3 0.03 0.06 -0.21 -0.04 1.64 1.48 2f3oA1 LEU 419 HG 0.02 -0.05 -0.13 -0.04 1.64 1.43 2f3oA1 LEU 419 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.86 2f3oA1 LEU 419 HD23 0.00 0.04 -0.16 -0.04 0.89 0.73 2f3oA1 ASN 420 H 0.08 0.41 -0.43 -0.55 8.53 8.05 2f3oA1 ASN 420 HA 0.03 0.13 0.54 -0.75 4.76 4.70 2f3oA1 ASN 420 HB2 0.06 -0.09 0.04 -0.04 2.88 2.85 2f3oA1 ASN 420 HB3 0.11 0.03 0.16 -0.04 2.79 3.06 2f3oA1 ASN 420 HD21 0.33 -0.06 0.06 -0.04 7.03 7.32 2f3oA1 ASN 420 HD22 0.20 0.02 0.13 -0.04 7.74 8.06 2f3oA1 TYR 421 H 0.18 0.30 -0.51 -0.55 8.29 7.71 2f3oA1 TYR 421 HA 0.06 -0.00 0.53 -0.75 4.56 4.39 2f3oA1 TYR 421 HB2 -0.00 0.02 -0.01 -0.04 3.06 3.02 2f3oA1 TYR 421 HB3 0.00 0.18 0.01 -0.04 2.98 3.13 2f3oA1 TYR 421 HD2 -0.04 0.27 -0.11 -0.04 7.15 7.24 2f3oA1 TYR 421 HE2 -0.06 -0.07 -0.15 -0.04 6.85 6.53 2f3oA1 THR 422 H 0.18 0.73 0.32 -0.55 8.28 8.95 2f3oA1 THR 422 HA -0.28 0.13 0.79 -0.75 4.39 4.27 2f3oA1 THR 422 HB -0.31 -0.05 -0.01 -0.04 4.32 3.92 2f3oA1 THR 422 HG23 0.23 0.03 -0.26 -0.04 1.22 1.17 2f3oA1 THR 423 H -0.14 0.07 0.08 -0.55 8.28 7.73 2f3oA1 THR 423 HA -0.05 0.41 0.95 -0.75 4.39 4.94 2f3oA1 THR 423 HB -0.44 0.15 -0.15 -0.04 4.32 3.84 2f3oA1 THR 423 HG23 -0.78 -0.02 -0.31 -0.04 1.22 0.07 2f3oA1 ASP 424 H 0.02 0.73 0.08 -0.55 8.40 8.68 2f3oA1 ASP 424 HA 0.06 0.02 0.23 -0.75 4.63 4.18 2f3oA1 ASP 424 HB2 0.04 0.13 -0.06 -0.04 2.71 2.77 2f3oA1 ASP 424 HB3 0.06 -0.05 -0.16 -0.04 2.70 2.51 2f3oA1 GLY 425 H 0.02 0.16 0.11 -0.55 8.43 8.16 2f3oA1 GLY 425 HA2 -0.03 0.15 0.35 -0.51 4.01 3.97 2f3oA1 GLY 425 HA3 0.03 -0.04 0.44 -0.51 4.01 3.93 2f3oA1 CYS 426 H -0.11 0.03 0.10 -0.55 8.50 7.98 2f3oA1 CYS 426 HA 0.19 0.34 0.77 -0.75 4.58 5.12 2f3oA1 CYS 426 HB2 -0.47 -0.19 0.14 -0.04 2.97 2.42 2f3oA1 CYS 426 HB3 0.01 -0.01 0.01 -0.04 2.97 2.94 2f3oA1 VAL 427 H -0.39 -0.01 0.08 -0.55 8.24 7.38 2f3oA1 VAL 427 HA 0.07 0.25 0.80 -0.75 4.13 4.50 2f3oA1 VAL 427 HB -0.47 0.04 0.03 -0.04 2.12 1.68 2f3oA1 VAL 427 HG13 -0.65 -0.02 -0.24 -0.04 0.97 0.02 2f3oA1 VAL 427 HG23 -0.33 -0.04 -0.42 -0.04 0.95 0.12 2f3oA1 GLU 428 H -0.12 0.01 0.05 -0.55 8.60 7.99 2f3oA1 GLU 428 HA 0.04 0.29 0.31 -0.75 4.29 4.18 2f3oA1 GLU 428 HB2 0.04 0.01 0.02 -0.04 2.09 2.12 2f3oA1 GLU 428 HB3 0.06 0.07 -0.01 -0.04 1.99 2.07 2f3oA1 GLU 428 HG2 0.17 0.18 -0.02 -0.04 2.34 2.62 2f3oA1 GLU 428 HG3 -0.02 0.02 0.03 -0.04 2.34 2.33 2f3oA1 ILE 429 H 0.03 0.21 -0.01 -0.55 8.25 7.94 2f3oA1 ILE 429 HA 0.05 0.26 0.98 -0.75 4.18 4.72 2f3oA1 ILE 429 HB -0.10 -0.02 -0.03 -0.04 1.89 1.70 2f3oA1 ILE 429 HG12 -0.00 -0.09 -0.12 -0.04 1.49 1.24 2f3oA1 ILE 429 HG13 -0.06 0.23 -0.07 -0.04 1.21 1.27 2f3oA1 ILE 429 HG23 0.06 0.01 -0.21 -0.04 0.93 0.75 2f3oA1 ILE 429 HD13 -0.17 -0.03 -0.06 -0.04 0.88 0.58 2f3oA1 ALA 430 H 0.14 0.44 0.20 -0.55 8.40 8.63 2f3oA1 ALA 430 HA 0.05 0.16 0.61 -0.75 4.34 4.40 2f3oA1 ALA 430 HB3 0.12 0.00 -0.27 -0.04 1.41 1.22 2f3oA1 PRO 431 HA 0.12 0.24 0.55 -0.51 4.44 4.84 2f3oA1 PRO 431 HB2 0.11 -0.06 -0.20 -0.04 2.28 2.10 2f3oA1 PRO 431 HB3 -0.12 0.03 -0.05 -0.04 2.02 1.83 2f3oA1 PRO 431 HG2 0.06 -0.04 -0.05 -0.04 2.03 1.96 2f3oA1 PRO 431 HG3 -0.57 0.09 -0.05 -0.04 2.03 1.45 2f3oA1 PRO 431 HD2 0.07 0.14 0.14 -0.04 3.68 3.99 2f3oA1 PRO 431 HD3 -0.07 0.17 -0.02 -0.04 3.65 3.69 2f3oA1 PHE 432 H 0.26 0.41 0.18 -0.55 8.34 8.65 2f3oA1 PHE 432 HA 0.07 0.04 0.49 -0.75 4.62 4.47 2f3oA1 PHE 432 HB2 0.05 0.04 0.01 -0.04 3.15 3.21 2f3oA1 PHE 432 HB3 0.06 0.11 0.22 -0.04 3.06 3.41 2f3oA1 PHE 432 HD2 0.08 0.06 0.00 -0.04 7.28 7.38 2f3oA1 PHE 432 HE2 0.19 0.09 -0.12 -0.04 7.38 7.50 2f3oA1 PHE 432 HZ 0.29 0.06 0.05 -0.04 7.32 7.68 2f3oA1 GLY 433 H 0.06 0.30 0.22 -0.55 8.43 8.47 2f3oA1 GLY 433 HA2 -0.29 0.11 0.36 -0.51 4.01 3.68 2f3oA1 GLY 433 HA3 -0.49 0.09 0.24 -0.51 4.01 3.34 2f3oA1 ASN 434 H 0.04 0.22 -0.43 -0.55 8.53 7.82 2f3oA1 ASN 434 HA -0.06 0.12 0.97 -0.75 4.76 5.03 2f3oA1 ASN 434 HB2 -0.04 0.00 0.15 -0.04 2.88 2.94 2f3oA1 ASN 434 HB3 -0.07 0.01 -0.15 -0.04 2.79 2.54 2f3oA1 ASN 434 HD21 0.23 -0.03 -0.06 -0.04 7.03 7.13 2f3oA1 ASN 434 HD22 0.01 0.00 -0.02 -0.04 7.74 7.69 2f3oA1 SER 435 H 0.08 0.17 -0.00 -0.55 8.46 8.16 2f3oA1 SER 435 HA 0.14 0.35 0.80 -0.75 4.49 5.03 2f3oA1 SER 435 HB2 0.21 0.05 -0.10 -0.04 3.95 4.07 2f3oA1 SER 435 HB3 0.27 -0.01 -0.15 -0.04 3.93 4.00 2f3oA1 PHE 436 H 0.19 0.68 0.15 -0.55 8.34 8.81 2f3oA1 PHE 436 HA 0.04 0.10 0.78 -0.75 4.62 4.79 2f3oA1 PHE 436 HB2 -0.01 -0.04 -0.06 -0.04 3.15 3.00 2f3oA1 PHE 436 HB3 -0.01 0.05 0.20 -0.04 3.06 3.27 2f3oA1 PHE 436 HD2 0.01 0.08 0.01 -0.04 7.28 7.35 2f3oA1 PHE 436 HE2 0.01 -0.01 -0.14 -0.04 7.38 7.20 2f3oA1 PHE 436 HZ 0.01 -0.11 -0.09 -0.04 7.32 7.09 2f3oA1 THR 437 H -0.01 0.20 0.03 -0.55 8.28 7.95 2f3oA1 THR 437 HA 0.11 0.16 0.72 -0.75 4.39 4.62 2f3oA1 THR 437 HB 0.10 0.03 -0.06 -0.04 4.32 4.35 2f3oA1 THR 437 HG23 0.24 0.01 -0.22 -0.04 1.22 1.21 2f3oA1 SER 438 H -0.42 0.07 -0.10 -0.55 8.46 7.46 2f3oA1 SER 438 HA -0.27 0.12 0.23 -0.75 4.49 3.81 2f3oA1 SER 438 HB2 -0.30 0.05 -0.02 -0.04 3.95 3.65 2f3oA1 SER 438 HB3 -0.18 -0.02 0.19 -0.04 3.93 3.88 2f3oA1 SER 439 H -0.06 0.23 -0.06 -0.55 8.46 8.03 2f3oA1 SER 439 HA -0.01 0.16 -0.16 -0.75 4.49 3.72 2f3oA1 SER 439 HB2 0.07 0.03 -0.01 -0.04 3.95 4.01 2f3oA1 SER 439 HB3 0.05 0.02 -0.10 -0.04 3.93 3.86 2f3oA1 ASP 440 H -0.61 0.07 -0.40 -0.55 8.40 6.92 2f3oA1 ASP 440 HA -0.00 0.26 0.83 -0.75 4.63 4.96 2f3oA1 ASP 440 HB2 0.03 -0.07 -0.12 -0.04 2.71 2.51 2f3oA1 ASP 440 HB3 -0.30 0.00 0.08 -0.04 2.70 2.44 2f3oA1 ALA 441 H -0.08 0.70 0.07 -0.55 8.40 8.54 2f3oA1 ALA 441 HA -0.11 0.00 0.34 -0.75 4.34 3.83 2f3oA1 ALA 441 HB3 -0.07 0.03 0.04 -0.04 1.41 1.36 2f3oA1 ALA 442 H -0.00 0.41 0.19 -0.55 8.40 8.45 2f3oA1 ALA 442 HA 0.04 0.17 0.53 -0.75 4.34 4.33 2f3oA1 ALA 442 HB3 0.01 0.00 0.03 -0.04 1.41 1.42 2f3oA1 LEU 443 H 0.13 0.57 0.31 -0.55 8.37 8.84 2f3oA1 LEU 443 HA 0.03 0.12 0.80 -0.75 4.35 4.54 2f3oA1 LEU 443 HB2 0.15 -0.08 0.11 -0.04 1.64 1.78 2f3oA1 LEU 443 HB3 0.13 0.01 -0.02 -0.04 1.64 1.72 2f3oA1 LEU 443 HG -0.02 0.11 -0.36 -0.04 1.64 1.33 2f3oA1 LEU 443 HD13 0.17 -0.00 -0.16 -0.04 0.93 0.89 2f3oA1 LEU 443 HD23 -0.10 0.03 -0.13 -0.04 0.89 0.65 2f3oA1 ILE 444 H 0.06 0.91 0.35 -0.55 8.25 9.02 2f3oA1 ILE 444 HA 0.09 0.22 1.19 -0.75 4.18 4.93 2f3oA1 ILE 444 HB 0.07 0.03 0.09 -0.04 1.89 2.04 2f3oA1 ILE 444 HG12 0.06 0.06 -0.14 -0.04 1.49 1.43 2f3oA1 ILE 444 HG13 0.08 -0.13 -0.44 -0.04 1.21 0.68 2f3oA1 ILE 444 HG23 0.08 -0.01 -0.30 -0.04 0.93 0.65 2f3oA1 ILE 444 HD13 0.12 0.00 -0.17 -0.04 0.88 0.79 2f3oA1 ASN 445 H -0.43 0.76 0.29 -0.55 8.53 8.61 2f3oA1 ASN 445 HA -0.23 0.08 0.75 -0.75 4.76 4.61 2f3oA1 ASN 445 HB2 -1.78 0.04 0.01 -0.04 2.88 1.12 2f3oA1 ASN 445 HB3 -0.51 0.11 0.38 -0.04 2.79 2.72 2f3oA1 ASN 445 HD21 -0.05 -0.02 -0.03 -0.04 7.03 6.89 2f3oA1 ASN 445 HD22 -0.24 0.71 0.18 -0.04 7.74 8.35 2f3oA1 VAL 446 H -0.10 0.66 0.36 -0.55 8.24 8.61 2f3oA1 VAL 446 HA -0.02 0.12 0.43 -0.75 4.13 3.91 2f3oA1 VAL 446 HB -0.00 -0.01 0.06 -0.04 2.12 2.13 2f3oA1 VAL 446 HG13 -0.18 0.05 -0.01 -0.04 0.97 0.79 2f3oA1 VAL 446 HG23 -0.08 -0.00 -0.33 -0.04 0.95 0.50 2f3oA1 ALA 447 H -0.08 0.21 -0.07 -0.55 8.40 7.91 2f3oA1 ALA 447 HA -0.05 0.04 0.56 -0.75 4.34 4.14 2f3oA1 ALA 447 HB3 -0.04 0.03 0.05 -0.04 1.41 1.42 2f3oA1 LYS 448 H -0.15 0.25 -0.25 -0.55 8.42 7.71 2f3oA1 LYS 448 HA -0.27 0.02 0.40 -0.75 4.32 3.71 2f3oA1 LYS 448 HB2 -0.22 0.13 0.18 -0.04 1.87 1.92 2f3oA1 LYS 448 HB3 -0.24 0.16 0.10 -0.04 1.79 1.78 2f3oA1 LYS 448 HG2 -0.18 0.05 -0.10 -0.04 1.46 1.19 2f3oA1 LYS 448 HG3 -1.08 -0.07 -0.05 -0.04 1.46 0.21 2f3oA1 LYS 448 HD2 -0.23 -0.09 0.02 -0.04 1.69 1.35 2f3oA1 LYS 448 HD3 -0.31 -0.12 0.10 -0.04 1.68 1.32 2f3oA1 LYS 448 HE2 -0.05 0.06 0.06 -0.04 2.99 3.02 2f3oA1 LYS 448 HE3 0.05 0.02 -0.03 -0.04 2.99 2.98 2f3oA1 ALA 449 H -0.08 0.20 -0.62 -0.55 8.40 7.35 2f3oA1 ALA 449 HA 0.07 0.07 0.34 -0.75 4.34 4.07 2f3oA1 ALA 449 HB3 0.09 0.05 -0.01 -0.04 1.41 1.50 2f3oA1 LEU 450 H -0.02 0.33 -0.11 -0.55 8.37 8.03 2f3oA1 LEU 450 HA 0.04 0.02 0.42 -0.75 4.35 4.09 2f3oA1 LEU 450 HB2 0.00 -0.04 0.10 -0.04 1.64 1.66 2f3oA1 LEU 450 HB3 -0.03 0.16 0.18 -0.04 1.64 1.92 2f3oA1 LEU 450 HG -0.02 0.04 -0.30 -0.04 1.64 1.32 2f3oA1 LEU 450 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.85 2f3oA1 LEU 450 HD23 -0.03 -0.02 -0.02 -0.04 0.89 0.78 2f3oA1 GLU 451 H -0.10 0.54 -0.13 -0.55 8.60 8.36 2f3oA1 GLU 451 HA -0.04 0.05 0.44 -0.75 4.29 3.99 2f3oA1 GLU 451 HB2 -0.09 0.04 0.05 -0.04 2.09 2.04 2f3oA1 GLU 451 HB3 -0.24 0.11 0.15 -0.04 1.99 1.97 2f3oA1 GLU 451 HG2 -0.03 0.02 -0.00 -0.04 2.34 2.29 2f3oA1 GLU 451 HG3 -0.04 0.05 0.07 -0.04 2.34 2.38 2f3oA1 TYR 452 H -0.14 0.57 -0.20 -0.55 8.29 7.97 2f3oA1 TYR 452 HA -0.00 0.13 0.33 -0.75 4.56 4.27 2f3oA1 TYR 452 HB2 0.03 0.18 0.14 -0.04 3.06 3.36 2f3oA1 TYR 452 HB3 -0.00 -0.13 0.05 -0.04 2.98 2.85 2f3oA1 TYR 452 HD2 0.05 0.07 -0.31 -0.04 7.15 6.92 2f3oA1 TYR 452 HE2 0.10 -0.03 -0.19 -0.04 6.85 6.69 2f3oA1 ALA 453 H 0.09 0.33 -0.39 -0.55 8.40 7.89 2f3oA1 ALA 453 HA 0.07 0.01 0.31 -0.75 4.34 3.98 2f3oA1 ALA 453 HB3 0.08 0.00 0.01 -0.04 1.41 1.46 2f3oA1 LEU 454 H 0.04 0.42 -0.30 -0.55 8.37 7.98 2f3oA1 LEU 454 HA 0.02 0.29 1.20 -0.75 4.35 5.11 2f3oA1 LEU 454 HB2 -0.01 -0.07 0.24 -0.04 1.64 1.76 2f3oA1 LEU 454 HB3 0.01 -0.04 0.01 -0.04 1.64 1.58 2f3oA1 LEU 454 HG -0.03 -0.08 0.00 -0.04 1.64 1.49 2f3oA1 LEU 454 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.81 2f3oA1 LEU 454 HD23 -0.03 0.05 0.01 -0.04 0.89 0.89 2f3oA1 ASN 455 H 0.05 0.29 -0.23 -0.55 8.53 8.09 2f3oA1 ASN 455 HA -0.00 0.16 0.81 -0.75 4.76 4.97 2f3oA1 ASN 455 HB2 0.01 -0.01 -0.09 -0.04 2.88 2.75 2f3oA1 ASN 455 HB3 0.05 0.19 0.08 -0.04 2.79 3.08 2f3oA1 ASN 455 HD21 -0.02 -0.01 -0.12 -0.04 7.03 6.84 2f3oA1 ASN 455 HD22 0.01 0.07 -0.49 -0.04 7.74 7.29 2f3oA1 GLU 456 H 0.02 0.17 -0.22 -0.55 8.60 8.03 2f3oA1 GLU 456 HA -0.00 0.06 0.12 -0.75 4.29 3.71 2f3oA1 GLU 456 HB2 -0.01 0.08 -0.02 -0.04 2.09 2.10 2f3oA1 GLU 456 HB3 -0.01 0.13 0.09 -0.04 1.99 2.15 2f3oA1 GLU 456 HG2 0.00 0.01 -0.68 -0.04 2.34 1.63 2f3oA1 GLU 456 HG3 -0.00 -0.06 -0.44 -0.04 2.34 1.80 2f3oA1 GLY 457 H 0.03 0.56 0.02 -0.55 8.43 8.50 2f3oA1 GLY 457 HA2 -0.12 -0.16 0.27 -0.51 4.01 3.49 2f3oA1 GLY 457 HA3 -0.15 0.24 0.16 -0.51 4.01 3.75 2f3oA1 VAL 458 H 0.03 0.26 -0.40 -0.55 8.24 7.59 2f3oA1 VAL 458 HA -0.07 0.25 0.94 -0.75 4.13 4.49 2f3oA1 VAL 458 HB -0.00 0.04 -0.08 -0.04 2.12 2.04 2f3oA1 VAL 458 HG13 -0.04 -0.02 -0.19 -0.04 0.97 0.68 2f3oA1 VAL 458 HG23 -0.03 0.05 -0.20 -0.04 0.95 0.73 2f3oA1 ASP 459 H 0.06 0.47 0.18 -0.55 8.40 8.56 2f3oA1 ASP 459 HA 0.21 0.09 0.56 -0.75 4.63 4.74 2f3oA1 ASP 459 HB2 0.22 0.15 0.19 -0.04 2.71 3.22 2f3oA1 ASP 459 HB3 -0.00 -0.38 0.15 -0.04 2.70 2.44 2f3oA1 LEU 460 H 0.02 0.14 0.16 -0.55 8.37 8.14 2f3oA1 LEU 460 HA -0.04 0.16 0.19 -0.75 4.35 3.90 2f3oA1 LEU 460 HB2 -0.04 -0.04 0.14 -0.04 1.64 1.66 2f3oA1 LEU 460 HB3 -0.09 0.01 0.01 -0.04 1.64 1.54 2f3oA1 LEU 460 HG -0.11 0.01 -0.06 -0.04 1.64 1.43 2f3oA1 LEU 460 HD13 -0.06 0.02 0.04 -0.04 0.93 0.89 2f3oA1 LEU 460 HD23 -0.07 0.03 0.01 -0.04 0.89 0.82 2f3oA1 GLN 461 H -0.09 -0.06 -0.21 -0.55 8.47 7.56 2f3oA1 GLN 461 HA -0.23 0.28 0.93 -0.75 4.36 4.59 2f3oA1 GLN 461 HB2 -0.49 0.05 0.16 -0.04 2.15 1.83 2f3oA1 GLN 461 HB3 -0.25 0.09 -0.08 -0.04 2.02 1.73 2f3oA1 GLN 461 HG2 -0.16 -0.17 -0.04 -0.04 2.40 1.99 2f3oA1 GLN 461 HG3 -0.84 0.05 -0.18 -0.04 2.39 1.38 2f3oA1 GLN 461 HE21 0.03 0.13 -0.28 -0.04 6.97 6.81 2f3oA1 GLN 461 HE22 0.27 0.06 -0.31 -0.04 7.69 7.66 2f3oA1 PHE 462 H -0.12 -0.03 -0.11 -0.55 8.34 7.53 2f3oA1 PHE 462 HA -0.25 0.32 1.00 -0.75 4.62 4.94 2f3oA1 PHE 462 HB2 -0.48 -0.14 -0.00 -0.04 3.15 2.49 2f3oA1 PHE 462 HB3 -1.29 0.03 0.05 -0.04 3.06 1.81 2f3oA1 PHE 462 HD2 -0.07 -0.06 0.01 -0.04 7.28 7.11 2f3oA1 PHE 462 HE2 0.13 0.04 -0.03 -0.04 7.38 7.49 2f3oA1 PHE 462 HZ 0.21 0.04 -0.03 -0.04 7.32 7.51 2f3oA1 GLY 463 H -0.12 0.12 0.08 -0.55 8.43 7.96 2f3oA1 GLY 463 HA2 -0.08 0.09 0.27 -0.51 4.01 3.78 2f3oA1 GLY 463 HA3 -0.10 0.13 0.35 -0.51 4.01 3.88 2f3oA1 TYR 464 H -0.23 -0.06 -0.16 -0.55 8.29 7.29 2f3oA1 TYR 464 HA -0.38 0.16 0.48 -0.75 4.56 4.06 2f3oA1 TYR 464 HB2 -0.47 -0.15 0.16 -0.04 3.06 2.56 2f3oA1 TYR 464 HB3 -2.32 0.05 -0.06 -0.04 2.98 0.61 2f3oA1 TYR 464 HD2 -0.14 -0.01 -0.05 -0.04 7.15 6.91 2f3oA1 TYR 464 HE2 -0.17 0.05 0.00 -0.04 6.85 6.69 2f3oA1 GLU 465 H -0.07 0.22 0.18 -0.55 8.60 8.38 2f3oA1 GLU 465 HA -0.13 0.28 0.98 -0.75 4.29 4.67 2f3oA1 GLU 465 HB2 0.03 -0.04 0.27 -0.04 2.09 2.31 2f3oA1 GLU 465 HB3 -0.03 0.09 0.13 -0.04 1.99 2.14 2f3oA1 GLU 465 HG2 -0.03 0.01 -0.07 -0.04 2.34 2.21 2f3oA1 GLU 465 HG3 -0.00 0.03 0.13 -0.04 2.34 2.46 2f3oA1 PHE 466 H -0.31 0.22 0.01 -0.55 8.34 7.71 2f3oA1 PHE 466 HA -0.06 0.21 0.80 -0.75 4.62 4.82 2f3oA1 PHE 466 HB2 -0.13 -0.02 -0.10 -0.04 3.15 2.87 2f3oA1 PHE 466 HB3 -0.00 -0.01 0.03 -0.04 3.06 3.04 2f3oA1 PHE 466 HD2 -0.00 0.11 -0.30 -0.04 7.28 7.04 2f3oA1 PHE 466 HE2 -0.35 0.02 -0.04 -0.04 7.38 6.97 2f3oA1 PHE 466 HZ -0.60 0.05 -0.07 -0.04 7.32 6.66 2f3oA1 GLY 467 H -0.51 0.35 0.07 -0.55 8.43 7.79 2f3oA1 GLY 467 HA2 -0.39 0.10 0.60 -0.51 4.01 3.81 2f3oA1 GLY 467 HA3 -0.64 -0.06 0.31 -0.51 4.01 3.11 2f3oA1 ALA 468 H -0.56 0.05 0.12 -0.55 8.40 7.46 2f3oA1 ALA 468 HA -0.44 0.10 0.46 -0.75 4.34 3.71 2f3oA1 ALA 468 HB3 -0.19 -0.00 -0.00 -0.04 1.41 1.17 2f3oA1 LYS 469 H -0.09 0.10 0.04 -0.55 8.42 7.92 2f3oA1 LYS 469 HA -0.07 0.29 0.47 -0.75 4.32 4.25 2f3oA1 LYS 469 HB2 -0.04 -0.09 0.17 -0.04 1.87 1.88 2f3oA1 LYS 469 HB3 -0.03 0.01 0.13 -0.04 1.79 1.86 2f3oA1 LYS 469 HG2 -0.04 -0.02 0.01 -0.04 1.46 1.36 2f3oA1 LYS 469 HG3 -0.03 -0.05 0.01 -0.04 1.46 1.36 2f3oA1 LYS 469 HD2 -0.05 0.14 -0.04 -0.04 1.69 1.70 2f3oA1 LYS 469 HD3 -0.08 0.09 -0.28 -0.04 1.68 1.37 2f3oA1 LYS 469 HE2 -0.03 -0.06 -0.02 -0.04 2.99 2.85 2f3oA1 LYS 469 HE3 -0.04 0.05 -0.05 -0.04 2.99 2.91 2f3oA1 THR 470 H -0.05 0.42 -0.26 -0.55 8.28 7.84 2f3oA1 THR 470 HA -0.02 0.03 0.49 -0.75 4.39 4.13 2f3oA1 THR 470 HB 0.00 -0.08 0.15 -0.04 4.32 4.35 2f3oA1 THR 470 HG23 -0.01 0.01 -0.06 -0.04 1.22 1.11 2f3oA1 GLU 471 H 0.00 0.03 0.09 -0.55 8.60 8.18 2f3oA1 GLU 471 HA 0.00 0.23 0.80 -0.75 4.29 4.57 2f3oA1 GLU 471 HB2 0.01 -0.05 0.09 -0.04 2.09 2.09 2f3oA1 GLU 471 HB3 0.01 0.04 0.14 -0.04 1.99 2.14 2f3oA1 GLU 471 HG2 0.00 -0.01 0.03 -0.04 2.34 2.32 2f3oA1 GLU 471 HG3 -0.00 0.08 -0.16 -0.04 2.34 2.22 2f3oA1 LYS 472 H 0.01 0.07 0.10 -0.55 8.42 8.04 2f3oA1 LYS 472 HA 0.01 0.16 0.54 -0.75 4.32 4.27 2f3oA1 LYS 472 HB2 0.01 -0.09 0.06 -0.04 1.87 1.82 2f3oA1 LYS 472 HB3 0.01 0.07 0.03 -0.04 1.79 1.86 2f3oA1 LYS 472 HG2 0.00 0.08 -0.01 -0.04 1.46 1.49 2f3oA1 LYS 472 HG3 0.00 -0.04 0.05 -0.04 1.46 1.43 2f3oA1 LYS 472 HD2 0.01 -0.05 0.00 -0.04 1.69 1.61 2f3oA1 LYS 472 HD3 0.00 0.02 0.00 -0.04 1.68 1.67 2f3oA1 LYS 472 HE2 0.00 -0.01 0.00 -0.04 2.99 2.95 2f3oA1 LYS 472 HE3 0.00 -0.04 -0.00 -0.04 2.99 2.92 2f3oA1 PRO 473 HA 0.05 0.04 0.59 -0.51 4.44 4.61 2f3oA1 PRO 473 HB2 0.04 -0.01 -0.09 -0.04 2.28 2.17 2f3oA1 PRO 473 HB3 0.04 0.10 0.10 -0.04 2.02 2.21 2f3oA1 PRO 473 HG2 0.01 -0.04 0.10 -0.04 2.03 2.05 2f3oA1 PRO 473 HG3 0.02 0.14 0.22 -0.04 2.03 2.36 2f3oA1 PRO 473 HD2 0.01 0.05 0.21 -0.04 3.68 3.91 2f3oA1 PRO 473 HD3 0.01 0.22 0.23 -0.04 3.65 4.08 2f3oA1 LYS 474 H 0.10 0.03 0.06 -0.55 8.42 8.06 2f3oA1 LYS 474 HA 0.03 0.20 1.05 -0.75 4.32 4.85 2f3oA1 LYS 474 HB2 0.33 -0.02 0.07 -0.04 1.87 2.20 2f3oA1 LYS 474 HB3 0.11 0.06 0.04 -0.04 1.79 1.96 2f3oA1 LYS 474 HG2 0.14 -0.06 0.16 -0.04 1.46 1.65 2f3oA1 LYS 474 HG3 0.20 -0.02 0.07 -0.04 1.46 1.67 2f3oA1 LYS 474 HD2 0.09 -0.00 -0.02 -0.04 1.69 1.71 2f3oA1 LYS 474 HD3 0.07 0.12 -0.16 -0.04 1.68 1.66 2f3oA1 LYS 474 HE2 0.04 0.02 0.01 -0.04 2.99 3.01 2f3oA1 LYS 474 HE3 0.05 0.08 0.03 -0.04 2.99 3.12 2f3oA1 PHE 475 H 0.38 0.02 0.13 -0.55 8.34 8.32 2f3oA1 PHE 475 HA 0.03 0.26 0.63 -0.75 4.62 4.78 2f3oA1 PHE 475 HB2 0.03 -0.05 0.12 -0.04 3.15 3.21 2f3oA1 PHE 475 HB3 0.03 -0.12 0.18 -0.04 3.06 3.11 2f3oA1 PHE 475 HD2 0.02 -0.07 0.03 -0.04 7.28 7.23 2f3oA1 PHE 475 HE2 0.02 0.04 0.00 -0.04 7.38 7.40 2f3oA1 PHE 475 HZ 0.02 0.04 0.00 -0.04 7.32 7.34 2f3oA1 LEU 476 H 0.19 0.20 0.16 -0.55 8.37 8.37 2f3oA1 LEU 476 HA 0.07 0.19 0.45 -0.75 4.35 4.31 2f3oA1 LEU 476 HB2 0.07 0.11 0.10 -0.04 1.64 1.88 2f3oA1 LEU 476 HB3 0.13 -0.04 0.16 -0.04 1.64 1.84 2f3oA1 LEU 476 HG 0.12 -0.07 -0.25 -0.04 1.64 1.39 2f3oA1 LEU 476 HD13 -0.01 0.02 0.02 -0.04 0.93 0.91 2f3oA1 LEU 476 HD23 0.13 0.01 -0.00 -0.04 0.89 0.99 2f3oA1 GLU 477 H 0.17 0.10 -0.02 -0.55 8.60 8.31 2f3oA1 GLU 477 HA 0.13 0.11 0.25 -0.75 4.29 4.03 2f3oA1 GLU 477 HB2 0.10 0.01 0.14 -0.04 2.09 2.29 2f3oA1 GLU 477 HB3 0.06 0.02 0.02 -0.04 1.99 2.05 2f3oA1 GLU 477 HG2 0.08 -0.00 0.06 -0.04 2.34 2.44 2f3oA1 GLU 477 HG3 0.08 0.03 0.05 -0.04 2.34 2.47 2f3oA1 ASP 478 H 0.12 0.07 -0.33 -0.55 8.40 7.72 2f3oA1 ASP 478 HA 0.06 0.12 0.80 -0.75 4.63 4.86 2f3oA1 ASP 478 HB2 0.04 0.08 0.16 -0.04 2.71 2.95 2f3oA1 ASP 478 HB3 0.05 -0.00 0.05 -0.04 2.70 2.76 2f3oA1 LEU 479 H 0.10 0.41 -0.32 -0.55 8.37 8.02 2f3oA1 LEU 479 HA 0.07 0.21 0.84 -0.75 4.35 4.72 2f3oA1 LEU 479 HB2 0.06 0.04 0.07 -0.04 1.64 1.76 2f3oA1 LEU 479 HB3 0.07 0.11 0.16 -0.04 1.64 1.94 2f3oA1 LEU 479 HG 0.07 -0.08 -0.13 -0.04 1.64 1.46 2f3oA1 LEU 479 HD13 0.03 0.04 -0.05 -0.04 0.93 0.91 2f3oA1 LEU 479 HD23 0.02 -0.00 -0.06 -0.04 0.89 0.80 2f3oA1 LEU 480 H 0.14 0.35 -0.03 -0.55 8.37 8.29 2f3oA1 LEU 480 HA 0.35 0.07 0.44 -0.75 4.35 4.45 2f3oA1 LEU 480 HB2 0.22 0.20 0.20 -0.04 1.64 2.21 2f3oA1 LEU 480 HB3 0.53 -0.00 0.02 -0.04 1.64 2.14 2f3oA1 LEU 480 HG 0.19 0.07 -0.02 -0.04 1.64 1.84 2f3oA1 LEU 480 HD13 0.28 -0.00 -0.01 -0.04 0.93 1.15 2f3oA1 LEU 480 HD23 0.19 -0.01 -0.03 -0.04 0.89 1.00 2f3oA1 GLU 481 H 0.08 0.28 -0.07 -0.55 8.60 8.35 2f3oA1 GLU 481 HA -0.12 0.07 0.41 -0.75 4.29 3.88 2f3oA1 GLU 481 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 2f3oA1 GLU 481 HB3 -0.04 0.03 0.00 -0.04 1.99 1.94 2f3oA1 GLU 481 HG2 -0.04 0.02 0.04 -0.04 2.34 2.32 2f3oA1 GLU 481 HG3 0.02 0.06 0.13 -0.04 2.34 2.51 2f3oA1 LYS 482 H 0.05 0.18 -0.49 -0.55 8.42 7.59 2f3oA1 LYS 482 HA 0.01 0.01 0.37 -0.75 4.32 3.95 2f3oA1 LYS 482 HB2 0.05 0.08 0.17 -0.04 1.87 2.13 2f3oA1 LYS 482 HB3 0.04 0.07 0.12 -0.04 1.79 1.97 2f3oA1 LYS 482 HG2 0.02 -0.12 0.07 -0.04 1.46 1.39 2f3oA1 LYS 482 HG3 0.03 0.00 0.11 -0.04 1.46 1.56 2f3oA1 LYS 482 HD2 0.04 0.00 0.07 -0.04 1.69 1.76 2f3oA1 LYS 482 HD3 0.03 0.21 0.04 -0.04 1.68 1.92 2f3oA1 LYS 482 HE2 0.02 0.07 -0.31 -0.04 2.99 2.73 2f3oA1 LYS 482 HE3 0.02 -0.18 0.04 -0.04 2.99 2.82 2f3oA1 LEU 483 H 0.13 0.40 -0.39 -0.55 8.37 7.96 2f3oA1 LEU 483 HA 0.14 0.06 0.48 -0.75 4.35 4.27 2f3oA1 LEU 483 HB2 0.18 0.06 0.06 -0.04 1.64 1.90 2f3oA1 LEU 483 HB3 0.43 0.10 0.21 -0.04 1.64 2.34 2f3oA1 LEU 483 HG 0.46 -0.02 -0.25 -0.04 1.64 1.79 2f3oA1 LEU 483 HD13 0.12 -0.01 -0.09 -0.04 0.93 0.91 2f3oA1 LEU 483 HD23 0.14 -0.01 -0.05 -0.04 0.89 0.92 2f3oA1 ARG 484 H -0.00 0.63 0.05 -0.55 8.46 8.59 2f3oA1 ARG 484 HA 0.00 -0.02 0.37 -0.75 4.34 3.94 2f3oA1 ARG 484 HB2 -1.50 0.05 0.14 -0.04 1.90 0.56 2f3oA1 ARG 484 HB3 -0.48 0.09 0.09 -0.04 1.80 1.46 2f3oA1 ARG 484 HG2 -0.45 -0.02 -0.00 -0.04 1.67 1.16 2f3oA1 ARG 484 HG3 -1.63 -0.03 0.03 -0.04 1.67 0.01 2f3oA1 ARG 484 HD2 -0.72 -0.02 -0.01 -0.04 3.22 2.42 2f3oA1 ARG 484 HD3 -0.39 0.01 -0.07 -0.04 3.22 2.73 2f3oA1 GLU 485 H -0.07 0.53 -0.27 -0.55 8.60 8.25 2f3oA1 GLU 485 HA -0.04 0.04 0.47 -0.75 4.29 4.01 2f3oA1 GLU 485 HB2 -0.05 0.08 0.08 -0.04 2.09 2.16 2f3oA1 GLU 485 HB3 -0.01 0.11 0.03 -0.04 1.99 2.08 2f3oA1 GLU 485 HG2 0.01 -0.05 -0.07 -0.04 2.34 2.19 2f3oA1 GLU 485 HG3 -0.02 -0.01 0.03 -0.04 2.34 2.30 2f3oA1 GLN 486 H 0.07 0.40 -0.32 -0.55 8.47 8.07 2f3oA1 GLN 486 HA 0.10 -0.02 0.50 -0.75 4.36 4.18 2f3oA1 GLN 486 HB2 0.12 0.13 0.21 -0.04 2.15 2.57 2f3oA1 GLN 486 HB3 0.19 -0.08 0.08 -0.04 2.02 2.16 2f3oA1 GLN 486 HG2 0.05 0.14 0.07 -0.04 2.40 2.62 2f3oA1 GLN 486 HG3 0.11 0.00 -0.07 -0.04 2.39 2.39 2f3oA1 GLN 486 HE21 -0.11 0.35 0.05 -0.04 6.97 7.22 2f3oA1 GLN 486 HE22 0.00 0.03 -0.09 -0.04 7.69 7.59 2f3oA1 VAL 487 H 0.14 0.62 -0.02 -0.55 8.24 8.43 2f3oA1 VAL 487 HA 0.16 -0.01 0.45 -0.75 4.13 3.97 2f3oA1 VAL 487 HB 0.18 0.09 0.10 -0.04 2.12 2.45 2f3oA1 VAL 487 HG13 0.25 -0.01 -0.14 -0.04 0.97 1.03 2f3oA1 VAL 487 HG23 0.24 0.05 -0.02 -0.04 0.95 1.18 2f3oA1 SER 488 H 0.07 0.52 -0.12 -0.55 8.46 8.38 2f3oA1 SER 488 HA 0.02 0.03 0.40 -0.75 4.49 4.18 2f3oA1 SER 488 HB2 -0.01 0.12 0.17 -0.04 3.95 4.19 2f3oA1 SER 488 HB3 0.04 0.17 0.17 -0.04 3.93 4.27 2f3oA1 HIS 489 H 0.16 0.51 -0.18 -0.55 8.41 8.35 2f3oA1 HIS 489 HA -0.01 -0.01 0.33 -0.75 4.63 4.19 2f3oA1 HIS 489 HB2 0.02 0.02 0.15 -0.04 3.26 3.41 2f3oA1 HIS 489 HB3 0.06 0.15 0.20 -0.04 3.20 3.57 2f3oA1 HIS 489 HD2 0.08 0.01 -0.15 -0.04 6.97 6.86 2f3oA1 HIS 489 HE1 -0.02 0.00 -0.15 -0.04 7.75 7.55 2f3oA1 ILE 490 H 0.16 0.48 -0.26 -0.55 8.25 8.08 2f3oA1 ILE 490 HA 0.10 0.05 0.43 -0.75 4.18 4.00 2f3oA1 ILE 490 HB 0.15 0.13 0.17 -0.04 1.89 2.30 2f3oA1 ILE 490 HG12 0.40 -0.01 -0.05 -0.04 1.49 1.79 2f3oA1 ILE 490 HG13 0.34 0.20 0.05 -0.04 1.21 1.76 2f3oA1 ILE 490 HG23 0.18 -0.02 -0.18 -0.04 0.93 0.87 2f3oA1 ILE 490 HD13 0.24 -0.03 -0.13 -0.04 0.88 0.92 2f3oA1 VAL 491 H 0.00 0.71 0.01 -0.55 8.24 8.41 2f3oA1 VAL 491 HA -0.14 -0.04 0.40 -0.75 4.13 3.60 2f3oA1 VAL 491 HB -0.11 0.14 0.13 -0.04 2.12 2.24 2f3oA1 VAL 491 HG13 -0.38 0.01 -0.23 -0.04 0.97 0.33 2f3oA1 VAL 491 HG23 -0.06 0.01 -0.08 -0.04 0.95 0.78 2f3oA1 LYS 492 H -0.18 0.72 -0.09 -0.55 8.42 8.32 2f3oA1 LYS 492 HA -0.42 -0.01 0.34 -0.75 4.32 3.49 2f3oA1 LYS 492 HB2 -0.18 0.15 0.11 -0.04 1.87 1.90 2f3oA1 LYS 492 HB3 -0.16 -0.05 -0.02 -0.04 1.79 1.52 2f3oA1 LYS 492 HG2 0.00 -0.04 0.03 -0.04 1.46 1.41 2f3oA1 LYS 492 HG3 -0.05 0.15 0.03 -0.04 1.46 1.55 2f3oA1 LYS 492 HD2 -0.03 -0.01 -0.07 -0.04 1.69 1.54 2f3oA1 LYS 492 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.58 2f3oA1 LYS 492 HE2 0.06 -0.00 -0.02 -0.04 2.99 2.99 2f3oA1 LYS 492 HE3 0.06 0.03 -0.04 -0.04 2.99 2.99 2f3oA1 LEU 493 H -0.24 0.41 -0.33 -0.55 8.37 7.66 2f3oA1 LEU 493 HA -0.22 -0.00 0.46 -0.75 4.35 3.84 2f3oA1 LEU 493 HB2 -0.12 0.17 0.21 -0.04 1.64 1.85 2f3oA1 LEU 493 HB3 -0.17 -0.08 -0.05 -0.04 1.64 1.30 2f3oA1 LEU 493 HG -0.04 -0.09 0.01 -0.04 1.64 1.48 2f3oA1 LEU 493 HD13 -0.27 0.02 -0.00 -0.04 0.93 0.64 2f3oA1 LEU 493 HD23 0.05 0.02 -0.01 -0.04 0.89 0.91 2f3oA1 VAL 494 H -0.37 0.51 -0.15 -0.55 8.24 7.68 2f3oA1 VAL 494 HA -0.55 0.03 0.54 -0.75 4.13 3.40 2f3oA1 VAL 494 HB -0.48 -0.08 0.01 -0.04 2.12 1.52 2f3oA1 VAL 494 HG13 -0.67 0.05 -0.04 -0.04 0.97 0.27 2f3oA1 VAL 494 HG23 -0.17 0.00 -0.16 -0.04 0.95 0.59 2f3oA1 VAL 495 H -0.42 0.66 -0.06 -0.55 8.24 7.87 2f3oA1 VAL 495 HA -0.40 0.01 0.42 -0.75 4.13 3.41 2f3oA1 VAL 495 HB -1.08 -0.01 -0.01 -0.04 2.12 0.99 2f3oA1 VAL 495 HG13 -1.18 0.07 -0.06 -0.04 0.97 -0.23 2f3oA1 VAL 495 HG23 -0.56 0.01 -0.02 -0.04 0.95 0.34 2f3oA1 ARG 496 H -0.23 0.67 -0.11 -0.55 8.46 8.23 2f3oA1 ARG 496 HA -0.06 0.03 0.45 -0.75 4.34 4.01 2f3oA1 ARG 496 HB2 -0.11 0.03 0.12 -0.04 1.90 1.90 2f3oA1 ARG 496 HB3 -0.14 0.09 0.16 -0.04 1.80 1.87 2f3oA1 ARG 496 HG2 -0.08 -0.03 -0.16 -0.04 1.67 1.37 2f3oA1 ARG 496 HG3 -0.05 -0.04 0.06 -0.04 1.67 1.61 2f3oA1 ARG 496 HD2 -0.05 -0.00 0.02 -0.04 3.22 3.14 2f3oA1 ARG 496 HD3 -0.08 0.01 0.01 -0.04 3.22 3.13 2f3oA1 GLY 497 H -0.18 0.48 -0.24 -0.55 8.43 7.94 2f3oA1 GLY 497 HA2 -0.08 0.01 0.32 -0.51 4.01 3.74 2f3oA1 GLY 497 HA3 -0.15 0.05 0.31 -0.51 4.01 3.71 2f3oA1 SER 498 H -0.04 0.76 -0.11 -0.55 8.46 8.53 2f3oA1 SER 498 HA -0.01 -0.04 0.27 -0.75 4.49 3.96 2f3oA1 SER 498 HB2 0.05 -0.02 0.01 -0.04 3.95 3.95 2f3oA1 SER 498 HB3 0.26 0.16 0.08 -0.04 3.93 4.38 2f3oA1 ASN 499 H 0.09 0.51 -0.31 -0.55 8.53 8.28 2f3oA1 ASN 499 HA 0.11 -0.08 0.52 -0.75 4.76 4.56 2f3oA1 ASN 499 HB2 0.08 0.22 0.18 -0.04 2.88 3.32 2f3oA1 ASN 499 HB3 0.11 -0.03 0.01 -0.04 2.79 2.84 2f3oA1 ASN 499 HD21 0.37 0.24 0.04 -0.04 7.03 7.64 2f3oA1 ASN 499 HD22 0.13 -0.03 -0.04 -0.04 7.74 7.77 2f3oA1 VAL 500 H 0.01 0.54 -0.12 -0.55 8.24 8.13 2f3oA1 VAL 500 HA 0.07 0.05 0.45 -0.75 4.13 3.94 2f3oA1 VAL 500 HB -0.00 0.09 0.15 -0.04 2.12 2.31 2f3oA1 VAL 500 HG13 0.08 -0.01 -0.12 -0.04 0.97 0.88 2f3oA1 VAL 500 HG23 0.01 0.07 0.03 -0.04 0.95 1.02 2f3oA1 LEU 501 H -0.01 0.55 -0.18 -0.55 8.37 8.19 2f3oA1 LEU 501 HA -0.03 0.00 0.30 -0.75 4.35 3.87 2f3oA1 LEU 501 HB2 -0.03 0.13 0.11 -0.04 1.64 1.81 2f3oA1 LEU 501 HB3 -0.04 -0.01 -0.14 -0.04 1.64 1.40 2f3oA1 LEU 501 HG -0.04 -0.07 -0.37 -0.04 1.64 1.12 2f3oA1 LEU 501 HD13 -0.00 -0.00 -0.11 -0.04 0.93 0.77 2f3oA1 LEU 501 HD23 -0.04 0.02 -0.14 -0.04 0.89 0.70 2f3oA1 SER 502 H -0.04 0.40 -0.36 -0.55 8.46 7.91 2f3oA1 SER 502 HA -0.03 0.01 0.46 -0.75 4.49 4.18 2f3oA1 SER 502 HB2 0.04 0.12 0.20 -0.04 3.95 4.26 2f3oA1 SER 502 HB3 0.19 -0.02 -0.04 -0.04 3.93 4.01 2f3oA1 TYR 503 H -0.29 0.56 -0.07 -0.55 8.29 7.94 2f3oA1 TYR 503 HA -1.25 0.05 0.57 -0.75 4.56 3.18 2f3oA1 TYR 503 HB2 -1.14 -0.01 0.13 -0.04 3.06 2.01 2f3oA1 TYR 503 HB3 -0.36 0.21 0.22 -0.04 2.98 3.01 2f3oA1 TYR 503 HD2 -0.12 0.01 0.02 -0.04 7.15 7.02 2f3oA1 TYR 503 HE2 0.14 -0.01 -0.03 -0.04 6.85 6.91 2f3oA1 ALA 504 H -0.21 0.45 -0.27 -0.55 8.40 7.82 2f3oA1 ALA 504 HA -1.22 0.02 0.29 -0.75 4.34 2.67 2f3oA1 ALA 504 HB3 -0.07 0.05 0.06 -0.04 1.41 1.40 2f3oA1 ASN 505 H -0.17 0.58 -0.13 -0.55 8.53 8.26 2f3oA1 ASN 505 HA -0.12 0.00 0.47 -0.75 4.76 4.36 2f3oA1 ASN 505 HB2 -0.04 0.12 0.19 -0.04 2.88 3.10 2f3oA1 ASN 505 HB3 -0.00 -0.04 -0.02 -0.04 2.79 2.68 2f3oA1 ASN 505 HD21 -0.09 0.29 0.05 -0.04 7.03 7.24 2f3oA1 ASN 505 HD22 -0.08 0.43 0.06 -0.04 7.74 8.11 2f3oA1 ALA 506 H -0.10 0.55 -0.22 -0.55 8.40 8.08 2f3oA1 ALA 506 HA 0.02 -0.18 0.12 -0.75 4.34 3.54 2f3oA1 ALA 506 HB3 0.15 0.11 0.04 -0.04 1.41 1.66 2f3oA1 GLU 507 H -0.41 0.29 -0.65 -0.55 8.60 7.28 2f3oA1 GLU 507 HA -0.15 0.06 0.63 -0.75 4.29 4.08 2f3oA1 GLU 507 HB2 -1.23 0.09 0.08 -0.04 2.09 0.99 2f3oA1 GLU 507 HB3 -0.41 -0.06 -0.03 -0.04 1.99 1.45 2f3oA1 GLU 507 HG2 -0.55 0.14 -0.07 -0.04 2.34 1.83 2f3oA1 GLU 507 HG3 -0.72 -0.04 -0.06 -0.04 2.34 1.48 2f3oA1 VAL 508 H -0.26 0.48 0.05 -0.55 8.24 7.96 2f3oA1 VAL 508 HA -0.02 0.19 1.04 -0.75 4.13 4.58 2f3oA1 VAL 508 HB 0.06 0.02 0.08 -0.04 2.12 2.24 2f3oA1 VAL 508 HG13 -0.12 0.04 -0.09 -0.04 0.97 0.76 2f3oA1 VAL 508 HG23 0.00 0.00 -0.23 -0.04 0.95 0.68 2f3oA1 LYS 509 H -0.06 0.55 -0.08 -0.55 8.42 8.28 2f3oA1 LYS 509 HA 0.06 0.15 0.66 -0.75 4.32 4.43 2f3oA1 LYS 509 HB2 0.01 0.07 -0.16 -0.04 1.87 1.75 2f3oA1 LYS 509 HB3 -0.03 -0.05 0.13 -0.04 1.79 1.79 2f3oA1 LYS 509 HG2 -0.05 -0.11 0.02 -0.04 1.46 1.28 2f3oA1 LYS 509 HG3 -0.00 -0.09 0.01 -0.04 1.46 1.33 2f3oA1 LYS 509 HD2 0.08 0.12 0.04 -0.04 1.69 1.89 2f3oA1 LYS 509 HD3 0.03 -0.02 0.01 -0.04 1.68 1.66 2f3oA1 LYS 509 HE2 -0.06 -0.11 0.03 -0.04 2.99 2.81 2f3oA1 LYS 509 HE3 -0.03 -0.15 0.03 -0.04 2.99 2.80 2f3oA1 PRO 510 HA 0.02 0.04 0.72 -0.51 4.44 4.71 2f3oA1 PRO 510 HB2 0.03 -0.11 -0.04 -0.04 2.28 2.12 2f3oA1 PRO 510 HB3 0.02 0.11 0.05 -0.04 2.02 2.17 2f3oA1 PRO 510 HG2 0.02 -0.03 -0.11 -0.04 2.03 1.87 2f3oA1 PRO 510 HG3 0.02 0.03 -0.11 -0.04 2.03 1.93 2f3oA1 PRO 510 HD2 0.04 0.16 -0.16 -0.04 3.68 3.67 2f3oA1 PRO 510 HD3 -0.00 0.21 -0.37 -0.04 3.65 3.44 2f3oA1 THR 511 H 0.01 -0.01 -0.02 -0.55 8.28 7.70 2f3oA1 THR 511 HA 0.01 0.36 0.92 -0.75 4.39 4.93 2f3oA1 THR 511 HB -0.01 -0.08 0.04 -0.04 4.32 4.23 2f3oA1 THR 511 HG23 0.02 0.08 -0.25 -0.04 1.22 1.03 2f3oA1 PRO 512 HA -0.06 -0.01 0.22 -0.51 4.44 4.08 2f3oA1 PRO 512 HB2 -0.09 0.08 -0.12 -0.04 2.28 2.11 2f3oA1 PRO 512 HB3 -0.19 0.04 -0.08 -0.04 2.02 1.75 2f3oA1 PRO 512 HG2 -0.04 0.13 -0.04 -0.04 2.03 2.05 2f3oA1 PRO 512 HG3 -0.05 0.02 -0.04 -0.04 2.03 1.92 2f3oA1 PRO 512 HD2 -0.00 0.17 0.03 -0.04 3.68 3.84 2f3oA1 PRO 512 HD3 0.00 0.32 -0.45 -0.04 3.65 3.49 2f3oA1 LEU 513 H -0.04 0.20 -0.15 -0.55 8.37 7.84 2f3oA1 LEU 513 HA -0.03 0.12 0.49 -0.75 4.35 4.18 2f3oA1 LEU 513 HB2 -0.05 0.08 0.04 -0.04 1.64 1.66 2f3oA1 LEU 513 HB3 -0.05 -0.03 0.04 -0.04 1.64 1.57 2f3oA1 LEU 513 HG -0.03 -0.03 -0.27 -0.04 1.64 1.27 2f3oA1 LEU 513 HD13 -0.01 0.02 -0.02 -0.04 0.93 0.87 2f3oA1 LEU 513 HD23 -0.13 0.03 -0.14 -0.04 0.89 0.60 2f3oA1 LEU 514 H -0.04 0.12 -0.17 -0.55 8.37 7.74 2f3oA1 LEU 514 HA -0.05 0.07 0.33 -0.75 4.35 3.96 2f3oA1 LEU 514 HB2 -0.04 0.03 0.06 -0.04 1.64 1.65 2f3oA1 LEU 514 HB3 -0.04 0.12 0.08 -0.04 1.64 1.76 2f3oA1 LEU 514 HG -0.08 -0.01 -0.27 -0.04 1.64 1.24 2f3oA1 LEU 514 HD13 -0.01 0.01 -0.05 -0.04 0.93 0.84 2f3oA1 LEU 514 HD23 0.13 0.01 -0.06 -0.04 0.89 0.93 2f3oA1 SER 515 H -0.04 0.40 -0.22 -0.55 8.46 8.06 2f3oA1 SER 515 HA -0.06 0.01 0.43 -0.75 4.49 4.11 2f3oA1 SER 515 HB2 0.07 0.24 0.06 -0.04 3.95 4.28 2f3oA1 SER 515 HB3 0.29 0.07 -0.09 -0.04 3.93 4.15 2f3oA1 LEU 516 H -0.02 0.47 -0.31 -0.55 8.37 7.96 2f3oA1 LEU 516 HA 0.13 -0.05 0.35 -0.75 4.35 4.02 2f3oA1 LEU 516 HB2 -0.15 0.24 0.17 -0.04 1.64 1.87 2f3oA1 LEU 516 HB3 -0.62 -0.04 -0.05 -0.04 1.64 0.89 2f3oA1 LEU 516 HG -0.76 -0.06 0.01 -0.04 1.64 0.79 2f3oA1 LEU 516 HD13 0.17 0.02 -0.06 -0.04 0.93 1.02 2f3oA1 LEU 516 HD23 -0.20 0.00 -0.03 -0.04 0.89 0.62 2f3oA1 CYS 517 H -0.05 0.32 -0.47 -0.55 8.50 7.76 2f3oA1 CYS 517 HA -0.01 0.09 0.44 -0.75 4.58 4.35 2f3oA1 CYS 517 HB2 -0.08 0.12 0.00 -0.04 2.97 2.97 2f3oA1 CYS 517 HB3 -0.14 -0.18 0.11 -0.04 2.97 2.71 2f3oA1 VAL 518 H -0.06 0.43 -0.39 -0.55 8.24 7.68 2f3oA1 VAL 518 HA -0.13 0.19 1.06 -0.75 4.13 4.50 2f3oA1 VAL 518 HB -0.15 -0.07 0.04 -0.04 2.12 1.90 2f3oA1 VAL 518 HG13 -0.05 0.00 -0.25 -0.04 0.97 0.63 2f3oA1 VAL 518 HG23 -0.05 0.03 -0.19 -0.04 0.95 0.70 2f3oA1 GLU 519 H -0.19 0.69 0.40 -0.55 8.60 8.95 2f3oA1 GLU 519 HA -0.38 0.01 0.04 -0.75 4.29 3.20 2f3oA1 GLU 519 HB2 -0.30 0.25 0.18 -0.04 2.09 2.18 2f3oA1 GLU 519 HB3 -0.20 -0.01 -0.00 -0.04 1.99 1.73 2f3oA1 GLU 519 HG2 -0.44 -0.15 0.08 -0.04 2.34 1.79 2f3oA1 GLU 519 HG3 -1.34 0.04 0.01 -0.04 2.34 1.01 2f3oA1 ASP 520 H -0.17 0.08 0.12 -0.55 8.40 7.88 2f3oA1 ASP 520 HA -0.05 -0.08 0.36 -0.75 4.63 4.11 2f3oA1 ASP 520 HB2 -0.11 0.27 0.41 -0.04 2.71 3.23 2f3oA1 ASP 520 HB3 -0.10 0.05 0.12 -0.04 2.70 2.74 2f3oA1 CYS 521 H -0.08 0.44 -0.34 -0.55 8.50 7.97 2f3oA1 CYS 521 HA -0.14 0.10 0.15 -0.75 4.58 3.92 2f3oA1 CYS 521 HB2 0.03 0.30 0.20 -0.04 2.97 3.47 2f3oA1 CYS 521 HB3 0.07 -0.11 -0.11 -0.04 2.97 2.79 2f3oA1 PHE 522 H 0.29 0.21 -0.07 -0.55 8.34 8.22 2f3oA1 PHE 522 HA 0.46 0.06 0.35 -0.75 4.62 4.74 2f3oA1 PHE 522 HB2 0.41 0.04 0.03 -0.04 3.15 3.59 2f3oA1 PHE 522 HB3 0.47 -0.03 0.04 -0.04 3.06 3.49 2f3oA1 PHE 522 HD2 0.53 -0.02 -0.12 -0.04 7.28 7.63 2f3oA1 PHE 522 HE2 0.21 -0.00 -0.08 -0.04 7.38 7.46 2f3oA1 PHE 522 HZ -0.12 -0.05 -0.11 -0.04 7.32 7.01 2f3oA1 GLU 523 H 0.23 0.00 -0.30 -0.55 8.60 7.99 2f3oA1 GLU 523 HA 0.03 0.08 0.34 -0.75 4.29 3.99 2f3oA1 GLU 523 HB2 0.09 -0.05 0.06 -0.04 2.09 2.15 2f3oA1 GLU 523 HB3 0.07 0.05 -0.01 -0.04 1.99 2.06 2f3oA1 GLU 523 HG2 0.49 -0.07 -0.04 -0.04 2.34 2.68 2f3oA1 GLU 523 HG3 0.24 -0.02 0.00 -0.04 2.34 2.52 2f3oA1 LYS 524 H -0.09 0.61 -0.17 -0.55 8.42 8.21 2f3oA1 LYS 524 HA -0.09 0.08 0.65 -0.75 4.32 4.20 2f3oA1 LYS 524 HB2 -0.17 0.11 0.04 -0.04 1.87 1.80 2f3oA1 LYS 524 HB3 -0.15 -0.06 0.03 -0.04 1.79 1.57 2f3oA1 LYS 524 HG2 -0.07 -0.08 -0.06 -0.04 1.46 1.21 2f3oA1 LYS 524 HG3 -0.09 0.07 0.04 -0.04 1.46 1.45 2f3oA1 LYS 524 HD2 -0.11 0.08 -0.05 -0.04 1.69 1.56 2f3oA1 LYS 524 HD3 -0.09 -0.05 -0.02 -0.04 1.68 1.49 2f3oA1 LYS 524 HE2 -0.09 0.06 -0.03 -0.04 2.99 2.89 2f3oA1 LYS 524 HE3 -0.08 -0.01 -0.03 -0.04 2.99 2.84 2f3oA1 GLY 525 H -0.40 0.28 -0.39 -0.55 8.43 7.37 2f3oA1 GLY 525 HA2 -1.42 -0.01 0.26 -0.51 4.01 2.34 2f3oA1 GLY 525 HA3 -0.64 0.00 0.39 -0.51 4.01 3.25 2f3oA1 VAL 526 H -0.67 0.39 -0.12 -0.55 8.24 7.30 2f3oA1 VAL 526 HA -0.42 0.08 0.72 -0.75 4.13 3.74 2f3oA1 VAL 526 HB -0.21 0.02 -0.05 -0.04 2.12 1.84 2f3oA1 VAL 526 HG13 -0.23 0.06 -0.26 -0.04 0.97 0.50 2f3oA1 VAL 526 HG23 -0.14 -0.03 -0.29 -0.04 0.95 0.44 2f3oA1 ASP 527 H -0.04 0.16 0.02 -0.55 8.40 7.99 2f3oA1 ASP 527 HA 0.24 0.09 0.45 -0.75 4.63 4.65 2f3oA1 ASP 527 HB2 0.17 0.11 0.05 -0.04 2.71 2.99 2f3oA1 ASP 527 HB3 0.04 0.04 0.02 -0.04 2.70 2.76 2f3oA1 VAL 528 H -0.07 0.16 0.11 -0.55 8.24 7.90 2f3oA1 VAL 528 HA -0.28 0.06 0.46 -0.75 4.13 3.62 2f3oA1 VAL 528 HB -0.30 0.02 0.07 -0.04 2.12 1.87 2f3oA1 VAL 528 HG13 -0.44 -0.01 -0.12 -0.04 0.97 0.36 2f3oA1 VAL 528 HG23 -1.15 0.04 -0.07 -0.04 0.95 -0.27 2f3oA1 SER 529 H -0.06 0.02 -0.25 -0.55 8.46 7.63 2f3oA1 SER 529 HA 0.21 0.16 0.35 -0.75 4.49 4.45 2f3oA1 SER 529 HB2 0.10 0.08 -0.04 -0.04 3.95 4.05 2f3oA1 SER 529 HB3 0.07 -0.06 0.01 -0.04 3.93 3.92 2f3oA1 ARG 530 H -0.01 0.17 -0.58 -0.55 8.46 7.49 2f3oA1 ARG 530 HA 0.14 0.20 0.69 -0.75 4.34 4.61 2f3oA1 ARG 530 HB2 0.05 -0.03 -0.05 -0.04 1.90 1.84 2f3oA1 ARG 530 HB3 -0.02 0.02 0.00 -0.04 1.80 1.76 2f3oA1 ARG 530 HG2 -0.03 -0.08 -0.02 -0.04 1.67 1.50 2f3oA1 ARG 530 HG3 -0.06 0.08 -0.01 -0.04 1.67 1.64 2f3oA1 ARG 530 HD2 0.03 -0.00 0.01 -0.04 3.22 3.21 2f3oA1 ARG 530 HD3 0.13 0.07 0.05 -0.04 3.22 3.43 2f3oA1 GLY 531 H -0.05 0.03 -0.25 -0.55 8.43 7.62 2f3oA1 GLY 531 HA2 -0.03 0.01 0.21 -0.51 4.01 3.69 2f3oA1 GLY 531 HA3 -0.10 0.33 0.81 -0.51 4.01 4.53 2f3oA1 GLY 532 H -0.12 0.15 -0.14 -0.55 8.43 7.76 2f3oA1 GLY 532 HA2 -0.14 0.09 0.13 -0.51 4.01 3.59 2f3oA1 GLY 532 HA3 -0.16 0.01 0.04 -0.51 4.01 3.39 2f3oA1 ALA 533 H -0.11 -0.04 -0.56 -0.55 8.40 7.15 2f3oA1 ALA 533 HA -0.10 0.22 0.30 -0.75 4.34 4.02 2f3oA1 ALA 533 HB3 -0.02 -0.04 -0.22 -0.04 1.41 1.10 2f3oA1 ARG 534 H -0.09 0.14 0.11 -0.55 8.46 8.08 2f3oA1 ARG 534 HA -0.19 0.07 0.40 -0.75 4.34 3.86 2f3oA1 ARG 534 HB2 -0.16 -0.08 0.13 -0.04 1.90 1.75 2f3oA1 ARG 534 HB3 -0.30 0.02 0.18 -0.04 1.80 1.66 2f3oA1 ARG 534 HG2 -0.37 0.06 0.03 -0.04 1.67 1.36 2f3oA1 ARG 534 HG3 -0.20 -0.05 0.03 -0.04 1.67 1.41 2f3oA1 ARG 534 HD2 -0.21 -0.06 -0.01 -0.04 3.22 2.90 2f3oA1 ARG 534 HD3 -0.87 0.01 -0.06 -0.04 3.22 2.26 2f3oA1 TYR 535 H 0.03 0.44 0.22 -0.55 8.29 8.43 2f3oA1 TYR 535 HA -0.23 0.21 0.83 -0.75 4.56 4.62 2f3oA1 TYR 535 HB2 -0.01 -0.13 0.07 -0.04 3.06 2.95 2f3oA1 TYR 535 HB3 -0.27 0.07 -0.05 -0.04 2.98 2.68 2f3oA1 TYR 535 HD2 -0.01 0.10 -0.06 -0.04 7.15 7.14 2f3oA1 TYR 535 HE2 0.04 0.05 0.00 -0.04 6.85 6.91 2f3oA1 ASN 536 H -0.38 0.26 0.08 -0.55 8.53 7.94 2f3oA1 ASN 536 HA -0.05 0.16 0.92 -0.75 4.76 5.04 2f3oA1 ASN 536 HB2 -0.15 0.03 -0.08 -0.04 2.88 2.64 2f3oA1 ASN 536 HB3 -0.07 -0.12 -0.18 -0.04 2.79 2.39 2f3oA1 ASN 536 HD21 -0.08 0.27 -0.25 -0.04 7.03 6.93 2f3oA1 ASN 536 HD22 -0.12 -0.06 -0.45 -0.04 7.74 7.07 2f3oA1 PHE 537 H 0.03 0.67 0.31 -0.55 8.34 8.80 2f3oA1 PHE 537 HA -0.06 0.42 0.92 -0.75 4.62 5.15 2f3oA1 PHE 537 HB2 -0.01 -0.13 -0.07 -0.04 3.15 2.90 2f3oA1 PHE 537 HB3 -0.04 -0.01 -0.05 -0.04 3.06 2.92 2f3oA1 PHE 537 HD2 0.01 0.10 -0.10 -0.04 7.28 7.25 2f3oA1 PHE 537 HE2 -0.03 -0.02 -0.05 -0.04 7.38 7.24 2f3oA1 PHE 537 HZ 0.04 0.28 -0.03 -0.04 7.32 7.57 2f3oA1 THR 538 H -0.02 0.30 0.16 -0.55 8.28 8.16 2f3oA1 THR 538 HA -0.17 0.21 0.60 -0.75 4.39 4.28 2f3oA1 THR 538 HB -1.45 -0.05 0.05 -0.04 4.32 2.83 2f3oA1 THR 538 HG23 -0.31 -0.01 -0.16 -0.04 1.22 0.70 2f3oA1 GLY 539 H -0.06 0.58 0.09 -0.55 8.43 8.49 2f3oA1 GLY 539 HA2 0.03 0.22 0.58 -0.51 4.01 4.33 2f3oA1 GLY 539 HA3 0.02 0.05 0.33 -0.51 4.01 3.89 2f3oA1 ILE 540 H 0.11 0.60 0.42 -0.55 8.25 8.84 2f3oA1 ILE 540 HA 0.05 0.21 1.08 -0.75 4.18 4.76 2f3oA1 ILE 540 HB 0.10 -0.06 -0.04 -0.04 1.89 1.85 2f3oA1 ILE 540 HG12 0.20 0.10 0.04 -0.04 1.49 1.79 2f3oA1 ILE 540 HG13 0.11 -0.05 -0.11 -0.04 1.21 1.13 2f3oA1 ILE 540 HG23 0.17 -0.01 -0.25 -0.04 0.93 0.79 2f3oA1 ILE 540 HD13 -0.06 -0.00 -0.11 -0.04 0.88 0.67 2f3oA1 GLN 541 H 0.03 0.34 0.14 -0.55 8.47 8.44 2f3oA1 GLN 541 HA 0.01 0.33 0.93 -0.75 4.36 4.87 2f3oA1 GLN 541 HB2 -0.21 0.04 0.23 -0.04 2.15 2.17 2f3oA1 GLN 541 HB3 -0.25 0.01 -0.11 -0.04 2.02 1.63 2f3oA1 GLN 541 HG2 -1.46 0.02 -0.06 -0.04 2.40 0.85 2f3oA1 GLN 541 HG3 -0.44 -0.16 -0.26 -0.04 2.39 1.49 2f3oA1 GLN 541 HE21 -0.03 0.16 -0.06 -0.04 6.97 7.00 2f3oA1 GLN 541 HE22 -0.26 -0.07 -0.02 -0.04 7.69 7.30 2f3oA1 ALA 542 H -0.21 0.64 0.41 -0.55 8.40 8.70 2f3oA1 ALA 542 HA -0.40 0.16 0.89 -0.75 4.34 4.24 2f3oA1 ALA 542 HB3 -0.98 -0.01 0.10 -0.04 1.41 0.48 2f3oA1 VAL 543 H -0.08 0.91 0.41 -0.55 8.24 8.93 2f3oA1 VAL 543 HA -0.03 0.13 0.84 -0.75 4.13 4.31 2f3oA1 VAL 543 HB 0.05 -0.02 0.05 -0.04 2.12 2.16 2f3oA1 VAL 543 HG13 0.15 0.06 -0.28 -0.04 0.97 0.85 2f3oA1 VAL 543 HG23 0.20 -0.02 -0.18 -0.04 0.95 0.91 2f3oA1 GLY 544 H -0.02 0.27 0.18 -0.55 8.43 8.31 2f3oA1 GLY 544 HA2 -0.01 -0.03 0.40 -0.51 4.01 3.85 2f3oA1 GLY 544 HA3 -0.03 0.13 0.68 -0.51 4.01 4.28 2f3oA1 ILE 545 H -0.08 0.25 0.06 -0.55 8.25 7.94 2f3oA1 ILE 545 HA -0.12 0.14 0.26 -0.75 4.18 3.71 2f3oA1 ILE 545 HB -0.17 0.04 0.01 -0.04 1.89 1.73 2f3oA1 ILE 545 HG12 -0.10 0.14 0.03 -0.04 1.49 1.52 2f3oA1 ILE 545 HG13 -0.18 -0.08 -0.07 -0.04 1.21 0.84 2f3oA1 ILE 545 HG23 -0.17 0.02 -0.15 -0.04 0.93 0.59 2f3oA1 ILE 545 HD13 -0.15 0.02 -0.07 -0.04 0.88 0.63 2f3oA1 ALA 546 H -0.09 0.14 -0.11 -0.55 8.40 7.79 2f3oA1 ALA 546 HA -0.20 0.10 0.68 -0.75 4.34 4.17 2f3oA1 ALA 546 HB3 0.01 0.05 -0.00 -0.04 1.41 1.43 2f3oA1 ASP 547 H -0.03 0.02 -0.28 -0.55 8.40 7.56 2f3oA1 ASP 547 HA -0.01 0.12 0.44 -0.75 4.63 4.43 2f3oA1 ASP 547 HB2 -0.02 0.01 0.14 -0.04 2.71 2.80 2f3oA1 ASP 547 HB3 -0.01 0.08 -0.01 -0.04 2.70 2.72 2f3oA1 VAL 548 H -0.06 0.35 -0.25 -0.55 8.24 7.73 2f3oA1 VAL 548 HA -0.05 0.12 0.60 -0.75 4.13 4.05 2f3oA1 VAL 548 HB -0.04 0.01 -0.01 -0.04 2.12 2.04 2f3oA1 VAL 548 HG13 -0.03 0.06 -0.06 -0.04 0.97 0.89 2f3oA1 VAL 548 HG23 -0.07 0.05 -0.03 -0.04 0.95 0.85 2f3oA1 GLY 549 H -0.09 0.30 -0.24 -0.55 8.43 7.86 2f3oA1 GLY 549 HA2 -0.06 0.05 0.24 -0.51 4.01 3.72 2f3oA1 GLY 549 HA3 -0.08 0.00 0.28 -0.51 4.01 3.70 2f3oA1 ASP 550 H -0.03 0.71 -0.05 -0.55 8.40 8.49 2f3oA1 ASP 550 HA -0.01 0.05 0.46 -0.75 4.63 4.37 2f3oA1 ASP 550 HB2 0.00 0.06 0.14 -0.04 2.71 2.87 2f3oA1 ASP 550 HB3 0.00 0.16 0.06 -0.04 2.70 2.87 2f3oA1 SER 551 H -0.05 0.35 -0.34 -0.55 8.46 7.88 2f3oA1 SER 551 HA -0.04 0.10 0.10 -0.75 4.49 3.90 2f3oA1 SER 551 HB2 -0.05 0.12 0.11 -0.04 3.95 4.09 2f3oA1 SER 551 HB3 -0.04 -0.01 -0.05 -0.04 3.93 3.79 2f3oA1 LEU 552 H -0.17 0.38 -0.57 -0.55 8.37 7.46 2f3oA1 LEU 552 HA -0.21 0.07 0.60 -0.75 4.35 4.04 2f3oA1 LEU 552 HB2 -0.55 0.19 0.18 -0.04 1.64 1.42 2f3oA1 LEU 552 HB3 -0.71 -0.09 0.03 -0.04 1.64 0.82 2f3oA1 LEU 552 HG -0.13 0.31 0.03 -0.04 1.64 1.80 2f3oA1 LEU 552 HD13 -0.08 -0.04 -0.05 -0.04 0.93 0.72 2f3oA1 LEU 552 HD23 -0.07 -0.02 -0.07 -0.04 0.89 0.69 2f3oA1 VAL 553 H -0.30 0.36 0.05 -0.55 8.24 7.81 2f3oA1 VAL 553 HA -0.23 0.01 0.54 -0.75 4.13 3.69 2f3oA1 VAL 553 HB -0.04 0.22 0.09 -0.04 2.12 2.35 2f3oA1 VAL 553 HG13 0.08 -0.00 0.02 -0.04 0.97 1.02 2f3oA1 VAL 553 HG23 0.04 -0.01 0.21 -0.04 0.95 1.15 2f3oA1 ALA 554 H -0.09 0.57 -0.12 -0.55 8.40 8.21 2f3oA1 ALA 554 HA -0.04 0.03 0.46 -0.75 4.34 4.04 2f3oA1 ALA 554 HB3 -0.04 0.03 0.09 -0.04 1.41 1.44 2f3oA1 ILE 555 H -0.11 0.25 -0.52 -0.55 8.25 7.33 2f3oA1 ILE 555 HA -0.05 0.07 0.59 -0.75 4.18 4.03 2f3oA1 ILE 555 HB -0.09 0.10 0.21 -0.04 1.89 2.07 2f3oA1 ILE 555 HG12 -0.04 -0.08 0.01 -0.04 1.49 1.34 2f3oA1 ILE 555 HG13 -0.05 0.08 0.01 -0.04 1.21 1.21 2f3oA1 ILE 555 HG23 -0.03 -0.04 -0.13 -0.04 0.93 0.69 2f3oA1 ILE 555 HD13 -0.04 -0.01 -0.04 -0.04 0.88 0.75 2f3oA1 GLU 556 H -0.10 0.50 -0.16 -0.55 8.60 8.29 2f3oA1 GLU 556 HA 0.01 -0.08 0.32 -0.75 4.29 3.77 2f3oA1 GLU 556 HB2 -0.05 0.07 0.21 -0.04 2.09 2.27 2f3oA1 GLU 556 HB3 -0.00 0.17 0.28 -0.04 1.99 2.40 2f3oA1 GLU 556 HG2 0.06 -0.02 -0.15 -0.04 2.34 2.20 2f3oA1 GLU 556 HG3 0.09 -0.09 0.06 -0.04 2.34 2.36 2f3oA1 GLY 557 H -0.01 0.54 -0.04 -0.55 8.43 8.37 2f3oA1 GLY 557 HA2 0.03 -0.03 0.36 -0.51 4.01 3.85 2f3oA1 GLY 557 HA3 0.02 0.09 0.28 -0.51 4.01 3.89 2f3oA1 ALA 558 H -0.01 0.30 -0.45 -0.55 8.40 7.70 2f3oA1 ALA 558 HA 0.09 0.09 0.43 -0.75 4.34 4.20 2f3oA1 ALA 558 HB3 -0.08 -0.00 0.06 -0.04 1.41 1.35 2f3oA1 LEU 559 H 0.02 0.50 -0.17 -0.55 8.37 8.18 2f3oA1 LEU 559 HA 0.04 0.31 0.51 -0.75 4.35 4.46 2f3oA1 LEU 559 HB2 0.00 0.04 0.15 -0.04 1.64 1.79 2f3oA1 LEU 559 HB3 -0.05 -0.08 -0.02 -0.04 1.64 1.45 2f3oA1 LEU 559 HG -0.01 0.17 -0.03 -0.04 1.64 1.73 2f3oA1 LEU 559 HD13 -0.03 -0.05 -0.06 -0.04 0.93 0.75 2f3oA1 LEU 559 HD23 -0.04 -0.00 -0.21 -0.04 0.89 0.60 2f3oA1 ASN 560 H 0.03 0.46 -0.03 -0.55 8.53 8.44 2f3oA1 ASN 560 HA 0.03 -0.08 0.31 -0.75 4.76 4.27 2f3oA1 ASN 560 HB2 0.04 0.27 0.22 -0.04 2.88 3.37 2f3oA1 ASN 560 HB3 0.04 0.02 0.12 -0.04 2.79 2.93 2f3oA1 ASN 560 HD21 0.03 -0.06 -0.02 -0.04 7.03 6.94 2f3oA1 ASN 560 HD22 0.03 0.05 -0.17 -0.04 7.74 7.60 2f3oA1 ALA 561 H 0.05 0.55 -0.10 -0.55 8.40 8.35 2f3oA1 ALA 561 HA 0.02 0.07 0.90 -0.75 4.34 4.58 2f3oA1 ALA 561 HB3 0.04 -0.01 0.13 -0.04 1.41 1.53 2f3oA1 GLY 562 H -0.00 0.25 -0.08 -0.55 8.43 8.05 2f3oA1 GLY 562 HA2 -0.09 -0.10 0.33 -0.51 4.01 3.64 2f3oA1 GLY 562 HA3 -0.16 0.04 0.22 -0.51 4.01 3.60 2f3oA1 TYR 563 H 0.27 0.64 0.29 -0.55 8.29 8.94 2f3oA1 TYR 563 HA 0.00 -0.04 0.25 -0.75 4.56 4.02 2f3oA1 TYR 563 HB2 0.00 0.12 -0.03 -0.04 3.06 3.11 2f3oA1 TYR 563 HB3 0.02 -0.13 0.13 -0.04 2.98 2.96 2f3oA1 TYR 563 HD2 0.04 0.20 0.16 -0.04 7.15 7.51 2f3oA1 TYR 563 HE2 0.04 -0.01 0.04 -0.04 6.85 6.88 2f3oA1 SER 564 H 0.13 0.03 0.20 -0.55 8.46 8.27 2f3oA1 SER 564 HA -0.03 0.30 0.94 -0.75 4.49 4.94 2f3oA1 SER 564 HB2 -0.04 -0.01 0.19 -0.04 3.95 4.05 2f3oA1 SER 564 HB3 -0.01 0.11 0.08 -0.04 3.93 4.07 2f3oA1 MET 565 H -0.05 0.24 0.19 -0.55 8.47 8.30 2f3oA1 MET 565 HA -0.02 0.08 0.35 -0.75 4.52 4.18 2f3oA1 MET 565 HB2 -0.04 0.28 0.19 -0.04 2.15 2.54 2f3oA1 MET 565 HB3 -0.01 0.06 0.20 -0.04 2.03 2.23 2f3oA1 MET 565 HG2 0.01 0.00 -0.31 -0.04 2.63 2.29 2f3oA1 MET 565 HG3 -0.01 -0.03 -0.07 -0.04 2.56 2.41 2f3oA1 MET 565 HE3 0.01 0.01 -0.26 -0.04 2.10 1.82 2f3oA1 ASP 566 H -0.00 0.10 -0.02 -0.55 8.40 7.93 2f3oA1 ASP 566 HA -0.01 0.13 0.29 -0.75 4.63 4.28 2f3oA1 ASP 566 HB2 0.02 -0.04 0.02 -0.04 2.71 2.66 2f3oA1 ASP 566 HB3 0.01 0.06 0.04 -0.04 2.70 2.76 2f3oA1 ASP 567 H 0.04 0.12 -0.46 -0.55 8.40 7.55 2f3oA1 ASP 567 HA 0.07 0.07 0.49 -0.75 4.63 4.51 2f3oA1 ASP 567 HB2 0.11 0.21 0.15 -0.04 2.71 3.14 2f3oA1 ASP 567 HB3 0.23 -0.01 0.03 -0.04 2.70 2.91 2f3oA1 ILE 568 H -0.02 0.39 -0.01 -0.55 8.25 8.06 2f3oA1 ILE 568 HA -0.10 -0.01 0.26 -0.75 4.18 3.59 2f3oA1 ILE 568 HB -0.04 0.09 0.10 -0.04 1.89 2.00 2f3oA1 ILE 568 HG12 -0.06 -0.09 0.00 -0.04 1.49 1.31 2f3oA1 ILE 568 HG13 -0.01 0.17 0.07 -0.04 1.21 1.39 2f3oA1 ILE 568 HG23 -0.04 -0.01 -0.01 -0.04 0.93 0.83 2f3oA1 ILE 568 HD13 -0.04 0.00 -0.08 -0.04 0.88 0.73 2f3oA1 VAL 569 H -0.07 0.42 -0.12 -0.55 8.24 7.91 2f3oA1 VAL 569 HA -0.11 0.09 0.62 -0.75 4.13 3.97 2f3oA1 VAL 569 HB -0.06 0.05 0.11 -0.04 2.12 2.18 2f3oA1 VAL 569 HG13 -0.03 0.05 0.04 -0.04 0.97 0.99 2f3oA1 VAL 569 HG23 -0.06 0.02 -0.05 -0.04 0.95 0.83 2f3oA1 GLU 570 H -0.16 0.34 -0.30 -0.55 8.60 7.94 2f3oA1 GLU 570 HA -0.15 0.05 0.32 -0.75 4.29 3.76 2f3oA1 GLU 570 HB2 -0.07 0.10 0.17 -0.04 2.09 2.25 2f3oA1 GLU 570 HB3 -0.20 0.05 0.21 -0.04 1.99 2.01 2f3oA1 GLU 570 HG2 0.09 -0.04 0.01 -0.04 2.34 2.36 2f3oA1 GLU 570 HG3 -0.03 -0.02 -0.09 -0.04 2.34 2.16 2f3oA1 ALA 571 H -0.49 0.65 -0.09 -0.55 8.40 7.92 2f3oA1 ALA 571 HA -0.88 -0.00 0.33 -0.75 4.34 3.03 2f3oA1 ALA 571 HB3 -0.24 0.03 0.01 -0.04 1.41 1.17 2f3oA1 CYS 572 H -0.32 0.38 -0.40 -0.55 8.50 7.61 2f3oA1 CYS 572 HA -0.67 -0.05 0.24 -0.75 4.58 3.35 2f3oA1 CYS 572 HB2 -0.20 0.17 0.18 -0.04 2.97 3.08 2f3oA1 CYS 572 HB3 -0.20 0.10 -0.02 -0.04 2.97 2.81 2f3oA1 ARG 573 H -0.24 0.49 -0.11 -0.55 8.46 8.05 2f3oA1 ARG 573 HA -0.17 0.04 0.42 -0.75 4.34 3.87 2f3oA1 ARG 573 HB2 -0.13 0.05 0.15 -0.04 1.90 1.93 2f3oA1 ARG 573 HB3 -0.13 0.04 0.12 -0.04 1.80 1.79 2f3oA1 ARG 573 HG2 -0.11 -0.04 0.04 -0.04 1.67 1.52 2f3oA1 ARG 573 HG3 -0.11 0.20 0.17 -0.04 1.67 1.89 2f3oA1 ARG 573 HD2 -0.07 -0.05 -0.00 -0.04 3.22 3.06 2f3oA1 ARG 573 HD3 -0.07 -0.01 0.03 -0.04 3.22 3.13 2f3oA1 LYS 574 H -0.25 0.35 -0.38 -0.55 8.42 7.58 2f3oA1 LYS 574 HA -0.10 0.13 0.56 -0.75 4.32 4.15 2f3oA1 LYS 574 HB2 -0.08 0.24 0.11 -0.04 1.87 2.10 2f3oA1 LYS 574 HB3 0.01 -0.07 0.04 -0.04 1.79 1.72 2f3oA1 LYS 574 HG2 0.09 0.00 0.05 -0.04 1.46 1.57 2f3oA1 LYS 574 HG3 0.00 -0.03 0.12 -0.04 1.46 1.51 2f3oA1 LYS 574 HD2 -0.04 0.04 -0.11 -0.04 1.69 1.54 2f3oA1 LYS 574 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.61 2f3oA1 LYS 574 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2f3oA1 LYS 574 HE3 0.01 -0.05 0.01 -0.04 2.99 2.92 2f3oA1 ASN 575 H -0.33 0.31 -0.50 -0.55 8.53 7.46 2f3oA1 ASN 575 HA -0.44 0.01 0.35 -0.75 4.76 3.93 2f3oA1 ASN 575 HB2 -0.14 0.07 -0.13 -0.04 2.88 2.63 2f3oA1 ASN 575 HB3 -0.09 0.06 0.09 -0.04 2.79 2.81 2f3oA1 ASN 575 HD21 -0.03 0.05 0.07 -0.04 7.03 7.09 2f3oA1 ASN 575 HD22 -0.05 0.02 0.05 -0.04 7.74 7.72 2f3oA1 PHE 576 H -0.55 0.70 -0.10 -0.55 8.34 7.84 2f3oA1 PHE 576 HA -0.02 -0.04 0.15 -0.75 4.62 3.96 2f3oA1 PHE 576 HB2 -0.32 0.19 -0.10 -0.04 3.15 2.88 2f3oA1 PHE 576 HB3 -0.18 -0.13 0.02 -0.04 3.06 2.74 2f3oA1 PHE 576 HD2 -0.35 0.00 -0.19 -0.04 7.28 6.70 2f3oA1 PHE 576 HE2 -0.17 0.06 -0.28 -0.04 7.38 6.94 2f3oA1 PHE 576 HZ -0.11 0.02 -0.26 -0.04 7.32 6.92 2f3oA1 VAL 577 H 0.03 0.55 -0.57 -0.55 8.24 7.71 2f3oA1 VAL 577 HA 0.09 -0.01 0.73 -0.75 4.13 4.19 2f3oA1 VAL 577 HB 0.02 0.23 0.19 -0.04 2.12 2.52 2f3oA1 VAL 577 HG13 0.03 -0.03 -0.03 -0.04 0.97 0.89 2f3oA1 VAL 577 HG23 0.03 0.04 0.02 -0.04 0.95 1.00 2f3oA1 GLY 578 H 0.07 0.14 0.16 -0.55 8.43 8.26 2f3oA1 GLY 578 HA2 -0.03 -0.01 0.33 -0.51 4.01 3.80 2f3oA1 GLY 578 HA3 -0.02 0.23 0.69 -0.51 4.01 4.40 2f3oA1 TYR 579 H 0.21 0.35 -0.46 -0.55 8.29 7.84 2f3oA1 TYR 579 HA 0.08 0.16 0.77 -0.75 4.56 4.81 2f3oA1 TYR 579 HB2 0.13 0.02 -0.15 -0.04 3.06 3.02 2f3oA1 TYR 579 HB3 0.15 -0.09 0.14 -0.04 2.98 3.14 2f3oA1 TYR 579 HD2 0.04 0.01 -0.22 -0.04 7.15 6.93 2f3oA1 TYR 579 HE2 0.03 -0.00 -0.07 -0.04 6.85 6.76 2f3oA1 GLU 580 H 0.08 0.14 -0.06 -0.55 8.60 8.21 2f3oA1 GLU 580 HA 0.16 0.16 0.23 -0.75 4.29 4.10 2f3oA1 GLU 580 HB2 0.05 -0.02 0.07 -0.04 2.09 2.15 2f3oA1 GLU 580 HB3 0.06 0.06 0.09 -0.04 1.99 2.16 2f3oA1 GLU 580 HG2 0.10 0.08 0.08 -0.04 2.34 2.56 2f3oA1 GLU 580 HG3 0.14 0.18 0.16 -0.04 2.34 2.78 2f3oA1 LYS 581 H 0.08 0.05 -0.28 -0.55 8.42 7.71 2f3oA1 LYS 581 HA 0.03 0.18 0.68 -0.75 4.32 4.46 2f3oA1 LYS 581 HB2 0.05 0.02 0.05 -0.04 1.87 1.96 2f3oA1 LYS 581 HB3 0.12 -0.05 0.09 -0.04 1.79 1.90 2f3oA1 LYS 581 HG2 0.17 0.02 -0.09 -0.04 1.46 1.51 2f3oA1 LYS 581 HG3 0.09 0.01 -0.18 -0.04 1.46 1.34 2f3oA1 LYS 581 HD2 0.04 0.02 -0.02 -0.04 1.69 1.69 2f3oA1 LYS 581 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.66 2f3oA1 LYS 581 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 2f3oA1 LYS 581 HE3 0.04 0.02 -0.03 -0.04 2.99 2.99 2f3oA1 LEU 582 H 0.12 0.10 -0.02 -0.55 8.37 8.02 2f3oA1 LEU 582 HA -0.15 0.08 0.39 -0.75 4.35 3.92 2f3oA1 LEU 582 HB2 -0.25 -0.01 0.11 -0.04 1.64 1.45 2f3oA1 LEU 582 HB3 0.08 0.09 0.13 -0.04 1.64 1.90 2f3oA1 LEU 582 HG -0.15 0.04 -0.30 -0.04 1.64 1.18 2f3oA1 LEU 582 HD13 -1.01 0.00 0.02 -0.04 0.93 -0.09 2f3oA1 LEU 582 HD23 -0.09 -0.01 -0.09 -0.04 0.89 0.67 2f3oA1 HIS 583 H 0.08 0.41 -0.20 -0.55 8.41 8.16 2f3oA1 HIS 583 HA -0.52 0.04 0.33 -0.75 4.63 3.73 2f3oA1 HIS 583 HB2 -0.34 0.03 0.02 -0.04 3.26 2.93 2f3oA1 HIS 583 HB3 -0.17 0.02 -0.01 -0.04 3.20 2.99 2f3oA1 HIS 583 HD2 -0.08 -0.01 -0.06 -0.04 6.97 6.78 2f3oA1 HIS 583 HE1 -0.31 0.33 0.04 -0.04 7.75 7.77 2f3oA1 LYS 584 H -0.10 0.31 -0.38 -0.55 8.42 7.69 2f3oA1 LYS 584 HA -0.29 0.07 0.50 -0.75 4.32 3.84 2f3oA1 LYS 584 HB2 -0.07 0.16 0.14 -0.04 1.87 2.06 2f3oA1 LYS 584 HB3 -0.09 -0.05 0.05 -0.04 1.79 1.65 2f3oA1 LYS 584 HG2 -0.20 -0.04 0.03 -0.04 1.46 1.21 2f3oA1 LYS 584 HG3 -0.08 0.32 0.17 -0.04 1.46 1.82 2f3oA1 LYS 584 HD2 -0.05 -0.03 0.04 -0.04 1.69 1.61 2f3oA1 LYS 584 HD3 -0.08 -0.02 0.03 -0.04 1.68 1.57 2f3oA1 LYS 584 HE2 -0.06 0.02 0.03 -0.04 2.99 2.93 2f3oA1 LYS 584 HE3 -0.03 -0.03 0.02 -0.04 2.99 2.91 2f3oA1 LEU 585 H -0.08 0.29 -0.22 -0.55 8.37 7.81 2f3oA1 LEU 585 HA -0.04 0.05 0.56 -0.75 4.35 4.16 2f3oA1 LEU 585 HB2 0.01 -0.05 0.07 -0.04 1.64 1.63 2f3oA1 LEU 585 HB3 -0.06 0.08 0.20 -0.04 1.64 1.82 2f3oA1 LEU 585 HG -0.05 0.06 -0.40 -0.04 1.64 1.21 2f3oA1 LEU 585 HD13 0.02 -0.02 -0.06 -0.04 0.93 0.84 2f3oA1 LEU 585 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.84 2f3oA1 LEU 586 H -0.12 0.48 -0.05 -0.55 8.37 8.13 2f3oA1 LEU 586 HA -0.07 0.02 0.45 -0.75 4.35 4.00 2f3oA1 LEU 586 HB2 -0.12 0.07 0.05 -0.04 1.64 1.60 2f3oA1 LEU 586 HB3 -0.05 0.12 -0.18 -0.04 1.64 1.49 2f3oA1 LEU 586 HG -0.13 0.13 -0.05 -0.04 1.64 1.55 2f3oA1 LEU 586 HD13 0.00 -0.03 -0.09 -0.04 0.93 0.77 2f3oA1 LEU 586 HD23 -0.08 -0.00 -0.03 -0.04 0.89 0.74 2f3oA1 LEU 587 H -0.17 0.44 -0.17 -0.55 8.37 7.91 2f3oA1 LEU 587 HA -0.08 0.16 0.42 -0.75 4.35 4.10 2f3oA1 LEU 587 HB2 -0.26 0.03 0.17 -0.04 1.64 1.54 2f3oA1 LEU 587 HB3 -0.14 -0.04 -0.03 -0.04 1.64 1.39 2f3oA1 LEU 587 HG -0.22 0.00 0.07 -0.04 1.64 1.44 2f3oA1 LEU 587 HD13 -0.37 -0.03 -0.03 -0.04 0.93 0.46 2f3oA1 LEU 587 HD23 -0.04 0.03 -0.01 -0.04 0.89 0.83 2f3oA1 GLN 588 H -0.09 0.28 -0.39 -0.55 8.47 7.72 2f3oA1 GLN 588 HA -0.05 -0.01 0.41 -0.75 4.36 3.96 2f3oA1 GLN 588 HB2 -0.05 0.12 0.18 -0.04 2.15 2.37 2f3oA1 GLN 588 HB3 -0.03 -0.11 -0.01 -0.04 2.02 1.83 2f3oA1 GLN 588 HG2 -0.06 0.08 0.06 -0.04 2.40 2.43 2f3oA1 GLN 588 HG3 -0.04 -0.10 0.02 -0.04 2.39 2.23 2f3oA1 GLN 588 HE21 -0.03 -0.05 -0.01 -0.04 6.97 6.83 2f3oA1 GLN 588 HE22 -0.05 0.01 -0.04 -0.04 7.69 7.58 2f3oA1 SER 589 H -0.04 0.30 -0.62 -0.55 8.46 7.55 2f3oA1 SER 589 HA -0.01 -0.06 0.30 -0.75 4.49 3.96 2f3oA1 SER 589 HB2 -0.03 0.19 0.09 -0.04 3.95 4.17 2f3oA1 SER 589 HB3 -0.02 -0.13 -0.01 -0.04 3.93 3.73 2f3oA1 PRO 590 HA 0.01 0.05 0.47 -0.51 4.44 4.45 2f3oA1 PRO 590 HB2 0.04 -0.04 -0.06 -0.04 2.28 2.18 2f3oA1 PRO 590 HB3 0.02 -0.08 0.05 -0.04 2.02 1.98 2f3oA1 PRO 590 HG2 0.03 -0.03 0.01 -0.04 2.03 2.00 2f3oA1 PRO 590 HG3 0.01 0.05 0.07 -0.04 2.03 2.13 2f3oA1 PRO 590 HD2 0.01 0.07 0.11 -0.04 3.68 3.83 2f3oA1 PRO 590 HD3 0.00 0.16 0.17 -0.04 3.65 3.95 2f3oA1 LYS 591 H 0.01 0.11 0.21 -0.55 8.42 8.20 2f3oA1 LYS 591 HA 0.04 0.15 0.91 -0.75 4.32 4.68 2f3oA1 LYS 591 HB2 0.00 0.02 0.10 -0.04 1.87 1.95 2f3oA1 LYS 591 HB3 0.03 0.00 0.05 -0.04 1.79 1.83 2f3oA1 LYS 591 HG2 -0.00 0.20 -0.07 -0.04 1.46 1.54 2f3oA1 LYS 591 HG3 0.00 -0.01 0.01 -0.04 1.46 1.42 2f3oA1 LYS 591 HD2 0.02 -0.20 0.02 -0.04 1.69 1.49 2f3oA1 LYS 591 HD3 0.01 0.12 -0.20 -0.04 1.68 1.57 2f3oA1 LYS 591 HE2 -0.02 0.29 -0.01 -0.04 2.99 3.21 2f3oA1 LYS 591 HE3 -0.00 -0.08 0.01 -0.04 2.99 2.88 2f3oA1 TYR 592 H 0.15 0.16 0.13 -0.55 8.29 8.18 2f3oA1 TYR 592 HA 0.00 -0.08 0.60 -0.75 4.56 4.33 2f3oA1 TYR 592 HB2 -0.00 -0.01 0.04 -0.04 3.06 3.05 2f3oA1 TYR 592 HB3 -0.01 -0.01 0.15 -0.04 2.98 3.07 2f3oA1 TYR 592 HD2 -0.01 -0.10 -0.05 -0.04 7.15 6.95 2f3oA1 TYR 592 HE2 -0.01 0.17 -0.32 -0.04 6.85 6.65 2f3oA1 GLY 593 H -0.36 -0.05 0.24 -0.55 8.43 7.71 2f3oA1 GLY 593 HA2 -0.50 0.06 0.35 -0.51 4.01 3.41 2f3oA1 GLY 593 HA3 -0.24 0.26 0.81 -0.51 4.01 4.33 2f3oA1 ASN 594 H -0.11 -0.01 0.17 -0.55 8.53 8.04 2f3oA1 ASN 594 HA -0.06 0.36 0.87 -0.75 4.76 5.17 2f3oA1 ASN 594 HB2 -0.03 -0.00 0.11 -0.04 2.88 2.92 2f3oA1 ASN 594 HB3 -0.03 -0.05 0.19 -0.04 2.79 2.86 2f3oA1 ASN 594 HD21 -0.03 0.56 0.02 -0.04 7.03 7.55 2f3oA1 ASN 594 HD22 -0.02 0.21 -0.03 -0.04 7.74 7.85 2f3oA1 ASP 595 H -0.08 0.09 -0.01 -0.55 8.40 7.85 2f3oA1 ASP 595 HA -0.03 0.04 0.22 -0.75 4.63 4.10 2f3oA1 ASP 595 HB2 -0.03 -0.01 -0.13 -0.04 2.71 2.50 2f3oA1 ASP 595 HB3 -0.02 0.11 0.23 -0.04 2.70 2.98 2f3oA1 ASP 596 H -0.01 0.00 -0.18 -0.55 8.40 7.66 2f3oA1 ASP 596 HA 0.00 0.20 0.67 -0.75 4.63 4.74 2f3oA1 ASP 596 HB2 -0.00 0.15 -0.02 -0.04 2.71 2.80 2f3oA1 ASP 596 HB3 0.02 -0.04 0.16 -0.04 2.70 2.79 2f3oA1 ASP 597 H 0.00 0.33 0.13 -0.55 8.40 8.32 2f3oA1 ASP 597 HA 0.00 0.05 0.24 -0.75 4.63 4.16 2f3oA1 ASP 597 HB2 -0.00 0.01 0.16 -0.04 2.71 2.83 2f3oA1 ASP 597 HB3 -0.02 0.05 -0.01 -0.04 2.70 2.68 2f3oA1 ALA 598 H 0.01 0.12 -0.16 -0.55 8.40 7.82 2f3oA1 ALA 598 HA 0.01 0.08 0.26 -0.75 4.34 3.93 2f3oA1 ALA 598 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 2f3oA1 ALA 599 H 0.05 0.26 -0.47 -0.55 8.40 7.70 2f3oA1 ALA 599 HA 0.16 0.21 0.83 -0.75 4.34 4.78 2f3oA1 ALA 599 HB3 0.07 -0.01 -0.26 -0.04 1.41 1.16 2f3oA1 ASP 600 H 0.07 0.63 0.11 -0.55 8.40 8.66 2f3oA1 ASP 600 HA 0.18 0.01 0.31 -0.75 4.63 4.37 2f3oA1 ASP 600 HB2 0.33 0.10 0.15 -0.04 2.71 3.26 2f3oA1 ASP 600 HB3 0.27 -0.18 0.13 -0.04 2.70 2.89 2f3oA1 LYS 601 H -0.02 0.56 -0.28 -0.55 8.42 8.12 2f3oA1 LYS 601 HA -0.09 0.09 0.56 -0.75 4.32 4.12 2f3oA1 LYS 601 HB2 -0.18 -0.02 0.04 -0.04 1.87 1.67 2f3oA1 LYS 601 HB3 -0.10 0.05 0.05 -0.04 1.79 1.75 2f3oA1 LYS 601 HG2 -0.23 0.07 -0.12 -0.04 1.46 1.14 2f3oA1 LYS 601 HG3 -0.66 -0.02 -0.29 -0.04 1.46 0.45 2f3oA1 LYS 601 HD2 -0.22 -0.02 -0.08 -0.04 1.69 1.33 2f3oA1 LYS 601 HD3 -0.13 -0.05 -0.15 -0.04 1.68 1.31 2f3oA1 LYS 601 HE2 -0.16 0.08 0.01 -0.04 2.99 2.88 2f3oA1 LYS 601 HE3 -0.82 -0.02 -0.06 -0.04 2.99 2.05 2f3oA1 TYR 602 H 0.02 0.43 -0.21 -0.55 8.29 7.98 2f3oA1 TYR 602 HA -0.17 0.08 0.42 -0.75 4.56 4.14 2f3oA1 TYR 602 HB2 -0.07 0.18 0.17 -0.04 3.06 3.30 2f3oA1 TYR 602 HB3 -0.13 -0.00 0.07 -0.04 2.98 2.88 2f3oA1 TYR 602 HD2 -0.08 0.07 0.06 -0.04 7.15 7.16 2f3oA1 TYR 602 HE2 -0.01 0.03 0.01 -0.04 6.85 6.84 2f3oA1 THR 603 H -0.02 0.20 -0.10 -0.55 8.28 7.82 2f3oA1 THR 603 HA -0.19 0.10 0.50 -0.75 4.39 4.04 2f3oA1 THR 603 HB -0.34 0.09 0.10 -0.04 4.32 4.13 2f3oA1 THR 603 HG23 -0.70 0.03 -0.26 -0.04 1.22 0.25 2f3oA1 LYS 604 H -0.13 0.45 -0.19 -0.55 8.42 8.00 2f3oA1 LYS 604 HA -0.15 -0.02 0.38 -0.75 4.32 3.77 2f3oA1 LYS 604 HB2 -0.08 0.05 -0.01 -0.04 1.87 1.78 2f3oA1 LYS 604 HB3 -0.11 0.09 0.13 -0.04 1.79 1.86 2f3oA1 LYS 604 HG2 -0.10 0.00 -0.29 -0.04 1.46 1.03 2f3oA1 LYS 604 HG3 -0.10 -0.15 0.02 -0.04 1.46 1.20 2f3oA1 LYS 604 HD2 -0.06 0.29 -0.03 -0.04 1.69 1.85 2f3oA1 LYS 604 HD3 -0.07 -0.06 0.00 -0.04 1.68 1.51 2f3oA1 LYS 604 HE2 -0.04 -0.06 -0.02 -0.04 2.99 2.83 2f3oA1 LYS 604 HE3 -0.05 -0.10 -0.00 -0.04 2.99 2.80 2f3oA1 MET 605 H -0.21 0.44 -0.29 -0.55 8.47 7.85 2f3oA1 MET 605 HA -0.23 0.01 0.41 -0.75 4.52 3.95 2f3oA1 MET 605 HB2 -0.25 0.09 0.14 -0.04 2.15 2.10 2f3oA1 MET 605 HB3 -0.41 0.10 0.17 -0.04 2.03 1.84 2f3oA1 MET 605 HG2 -1.00 -0.05 -0.06 -0.04 2.63 1.48 2f3oA1 MET 605 HG3 -0.10 -0.01 0.03 -0.04 2.56 2.44 2f3oA1 MET 605 HE3 -0.72 -0.00 -0.06 -0.04 2.10 1.28 2f3oA1 VAL 606 H -0.37 0.62 -0.09 -0.55 8.24 7.85 2f3oA1 VAL 606 HA -0.57 -0.01 0.44 -0.75 4.13 3.24 2f3oA1 VAL 606 HB -0.21 0.15 0.22 -0.04 2.12 2.24 2f3oA1 VAL 606 HG13 -0.08 -0.03 -0.13 -0.04 0.97 0.69 2f3oA1 VAL 606 HG23 -0.26 0.01 -0.05 -0.04 0.95 0.60 2f3oA1 LEU 607 H -0.16 0.56 -0.14 -0.55 8.37 8.08 2f3oA1 LEU 607 HA 0.02 -0.01 0.44 -0.75 4.35 4.05 2f3oA1 LEU 607 HB2 -0.12 0.00 0.07 -0.04 1.64 1.55 2f3oA1 LEU 607 HB3 -0.09 0.06 0.10 -0.04 1.64 1.67 2f3oA1 LEU 607 HG 0.04 0.02 -0.09 -0.04 1.64 1.57 2f3oA1 LEU 607 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.82 2f3oA1 LEU 607 HD23 -0.08 -0.01 -0.10 -0.04 0.89 0.66 2f3oA1 GLU 608 H -0.07 0.58 -0.02 -0.55 8.60 8.55 2f3oA1 GLU 608 HA 0.06 0.03 0.40 -0.75 4.29 4.02 2f3oA1 GLU 608 HB2 0.01 0.09 0.19 -0.04 2.09 2.34 2f3oA1 GLU 608 HB3 0.12 -0.02 0.00 -0.04 1.99 2.05 2f3oA1 GLU 608 HG2 0.02 -0.01 0.07 -0.04 2.34 2.37 2f3oA1 GLU 608 HG3 -0.03 0.01 0.10 -0.04 2.34 2.38 2f3oA1 TRP 609 H 0.17 0.60 -0.12 -0.55 7.97 8.07 2f3oA1 TRP 609 HA 0.02 0.02 0.46 -0.75 4.62 4.37 2f3oA1 TRP 609 HB2 0.06 0.13 0.18 -0.04 3.23 3.56 2f3oA1 TRP 609 HB3 0.05 -0.05 -0.02 -0.04 3.23 3.16 2f3oA1 TRP 609 HD1 0.01 -0.06 -0.04 -0.04 7.22 7.10 2f3oA1 TRP 609 HE1 0.01 -0.04 -0.02 -0.04 10.20 10.11 2f3oA1 TRP 609 HE3 0.05 0.01 -0.06 -0.04 7.59 7.55 2f3oA1 TRP 609 HZ2 0.04 -0.03 -0.05 -0.04 7.44 7.36 2f3oA1 TRP 609 HZ3 0.04 -0.06 0.01 -0.04 7.13 7.09 2f3oA1 TRP 609 HH2 0.05 -0.11 0.02 -0.04 7.19 7.11 2f3oA1 TYR 610 H 0.34 0.56 -0.07 -0.55 8.29 8.57 2f3oA1 TYR 610 HA 0.11 -0.02 0.41 -0.75 4.56 4.30 2f3oA1 TYR 610 HB2 0.06 -0.04 0.11 -0.04 3.06 3.15 2f3oA1 TYR 610 HB3 0.04 0.16 0.21 -0.04 2.98 3.34 2f3oA1 TYR 610 HD2 0.03 0.02 -0.08 -0.04 7.15 7.07 2f3oA1 TYR 610 HE2 0.00 0.03 -0.05 -0.04 6.85 6.79 2f3oA1 CYS 611 H 0.18 0.74 -0.01 -0.55 8.50 8.86 2f3oA1 CYS 611 HA -0.06 -0.02 0.46 -0.75 4.58 4.20 2f3oA1 CYS 611 HB2 0.07 0.01 0.18 -0.04 2.97 3.20 2f3oA1 CYS 611 HB3 0.04 0.11 0.10 -0.04 2.97 3.18 2f3oA1 GLU 612 H 0.06 0.60 -0.10 -0.55 8.60 8.62 2f3oA1 GLU 612 HA 0.00 0.07 0.52 -0.75 4.29 4.13 2f3oA1 GLU 612 HB2 0.01 -0.05 0.12 -0.04 2.09 2.13 2f3oA1 GLU 612 HB3 0.05 0.03 0.13 -0.04 1.99 2.17 2f3oA1 GLU 612 HG2 0.08 0.17 0.14 -0.04 2.34 2.69 2f3oA1 GLU 612 HG3 -0.00 -0.02 -0.29 -0.04 2.34 1.99 2f3oA1 GLU 613 H -0.03 0.36 -0.38 -0.55 8.60 8.00 2f3oA1 GLU 613 HA -0.01 0.10 0.70 -0.75 4.29 4.33 2f3oA1 GLU 613 HB2 -0.04 0.09 0.12 -0.04 2.09 2.22 2f3oA1 GLU 613 HB3 -0.02 -0.08 0.03 -0.04 1.99 1.88 2f3oA1 GLU 613 HG2 -0.01 0.03 -0.03 -0.04 2.34 2.29 2f3oA1 GLU 613 HG3 0.01 -0.10 -0.02 -0.04 2.34 2.20 2f3oA1 VAL 614 H -0.16 0.28 -0.31 -0.55 8.24 7.50 2f3oA1 VAL 614 HA -0.13 0.07 0.60 -0.75 4.13 3.91 2f3oA1 VAL 614 HB -0.28 0.08 0.16 -0.04 2.12 2.05 2f3oA1 VAL 614 HG13 -0.00 0.00 -0.36 -0.04 0.97 0.57 2f3oA1 VAL 614 HG23 -0.66 0.01 -0.08 -0.04 0.95 0.17 2f3oA1 ASN 615 H -0.03 0.59 0.13 -0.55 8.53 8.68 2f3oA1 ASN 615 HA 0.07 0.23 0.11 -0.75 4.76 4.42 2f3oA1 ASN 615 HB2 0.01 -0.01 0.14 -0.04 2.88 2.97 2f3oA1 ASN 615 HB3 0.02 0.03 0.15 -0.04 2.79 2.94 2f3oA1 ASN 615 HD21 0.00 0.22 0.18 -0.04 7.03 7.40 2f3oA1 ASN 615 HD22 0.00 -0.07 0.05 -0.04 7.74 7.68 2f3oA1 ARG 616 H 0.01 0.11 -0.61 -0.55 8.46 7.41 2f3oA1 ARG 616 HA -0.01 0.12 0.62 -0.75 4.34 4.31 2f3oA1 ARG 616 HB2 -0.11 -0.08 0.09 -0.04 1.90 1.76 2f3oA1 ARG 616 HB3 -0.06 0.04 0.05 -0.04 1.80 1.79 2f3oA1 ARG 616 HG2 -0.14 0.13 -0.17 -0.04 1.67 1.44 2f3oA1 ARG 616 HG3 -0.54 -0.06 -0.28 -0.04 1.67 0.75 2f3oA1 ARG 616 HD2 -0.15 -0.09 -0.01 -0.04 3.22 2.93 2f3oA1 ARG 616 HD3 -0.09 0.14 0.05 -0.04 3.22 3.28 2f3oA1 HIS 617 H 0.15 0.50 -0.09 -0.55 8.41 8.43 2f3oA1 HIS 617 HA -0.01 0.08 0.64 -0.75 4.63 4.59 2f3oA1 HIS 617 HB2 -0.28 0.01 0.07 -0.04 3.26 3.03 2f3oA1 HIS 617 HB3 -0.15 0.01 -0.02 -0.04 3.20 3.00 2f3oA1 HIS 617 HD2 -0.13 -0.01 -0.01 -0.04 6.97 6.78 2f3oA1 HIS 617 HE1 -0.12 -0.00 0.06 -0.04 7.75 7.64 2f3oA1 ARG 618 H 0.14 0.10 0.18 -0.55 8.46 8.33 2f3oA1 ARG 618 HA 0.21 0.17 1.06 -0.75 4.34 5.04 2f3oA1 ARG 618 HB2 0.08 -0.01 -0.09 -0.04 1.90 1.84 2f3oA1 ARG 618 HB3 0.07 0.26 0.11 -0.04 1.80 2.20 2f3oA1 ARG 618 HG2 0.04 0.06 -0.03 -0.04 1.67 1.70 2f3oA1 ARG 618 HG3 0.05 -0.11 0.14 -0.04 1.67 1.71 2f3oA1 ARG 618 HD2 0.03 -0.06 -0.00 -0.04 3.22 3.14 2f3oA1 ARG 618 HD3 0.02 0.08 -0.03 -0.04 3.22 3.25 2f3oA1 ASN 619 H 0.10 0.39 -0.09 -0.55 8.53 8.38 2f3oA1 ASN 619 HA 0.27 0.22 0.74 -0.75 4.76 5.23 2f3oA1 ASN 619 HB2 -0.10 -0.11 -0.04 -0.04 2.88 2.58 2f3oA1 ASN 619 HB3 -0.46 0.07 -0.28 -0.04 2.79 2.08 2f3oA1 ASN 619 HD21 -0.08 0.05 -0.63 -0.04 7.03 6.33 2f3oA1 ASN 619 HD22 -0.21 0.05 -0.55 -0.04 7.74 6.99 2f3oA1 PHE 620 H 0.22 0.13 0.08 -0.55 8.34 8.22 2f3oA1 PHE 620 HA 0.01 0.12 0.34 -0.75 4.62 4.33 2f3oA1 PHE 620 HB2 0.04 0.04 0.12 -0.04 3.15 3.30 2f3oA1 PHE 620 HB3 0.03 -0.06 0.07 -0.04 3.06 3.05 2f3oA1 PHE 620 HD2 -0.01 -0.01 -0.15 -0.04 7.28 7.08 2f3oA1 PHE 620 HE2 -0.03 0.04 -0.00 -0.04 7.38 7.34 2f3oA1 PHE 620 HZ 0.18 -0.02 0.00 -0.04 7.32 7.44 2f3oA1 ARG 621 H 0.05 -0.01 -0.31 -0.55 8.46 7.65 2f3oA1 ARG 621 HA -0.29 0.26 0.33 -0.75 4.34 3.89 2f3oA1 ARG 621 HB2 0.02 -0.06 -0.13 -0.04 1.90 1.69 2f3oA1 ARG 621 HB3 -0.02 0.03 0.02 -0.04 1.80 1.79 2f3oA1 ARG 621 HG2 0.08 0.04 -0.50 -0.04 1.67 1.25 2f3oA1 ARG 621 HG3 0.24 -0.08 -0.19 -0.04 1.67 1.61 2f3oA1 ARG 621 HD2 0.26 -0.00 -0.06 -0.04 3.22 3.38 2f3oA1 ARG 621 HD3 0.29 -0.02 -0.08 -0.04 3.22 3.37 2f3oA1 GLY 622 H -0.09 0.33 -0.71 -0.55 8.43 7.42 2f3oA1 GLY 622 HA2 -0.08 0.03 0.21 -0.51 4.01 3.66 2f3oA1 GLY 622 HA3 -0.12 0.11 0.15 -0.51 4.01 3.64 2f3oA1 GLY 623 H -0.07 -0.11 -0.42 -0.55 8.43 7.28 2f3oA1 GLY 623 HA2 -0.08 0.16 0.80 -0.51 4.01 4.39 2f3oA1 GLY 623 HA3 -0.18 0.32 0.47 -0.51 4.01 4.12 2f3oA1 LYS 624 H 0.09 0.32 0.28 -0.55 8.42 8.55 2f3oA1 LYS 624 HA 0.19 0.10 1.07 -0.75 4.32 4.92 2f3oA1 LYS 624 HB2 0.34 -0.05 0.07 -0.04 1.87 2.19 2f3oA1 LYS 624 HB3 0.22 0.24 0.11 -0.04 1.79 2.33 2f3oA1 LYS 624 HG2 0.12 0.01 -0.21 -0.04 1.46 1.34 2f3oA1 LYS 624 HG3 0.11 -0.10 -0.27 -0.04 1.46 1.16 2f3oA1 LYS 624 HD2 0.11 -0.09 -0.03 -0.04 1.69 1.63 2f3oA1 LYS 624 HD3 0.13 0.22 0.06 -0.04 1.68 2.05 2f3oA1 LYS 624 HE2 0.06 0.10 -0.06 -0.04 2.99 3.04 2f3oA1 LYS 624 HE3 0.05 -0.08 -0.12 -0.04 2.99 2.80 2f3oA1 PHE 625 H 0.41 0.73 0.26 -0.55 8.34 9.18 2f3oA1 PHE 625 HA 0.10 -0.07 0.73 -0.75 4.62 4.62 2f3oA1 PHE 625 HB2 0.06 0.21 0.12 -0.04 3.15 3.50 2f3oA1 PHE 625 HB3 -0.00 -0.07 -0.05 -0.04 3.06 2.90 2f3oA1 PHE 625 HD2 0.02 0.08 -0.28 -0.04 7.28 7.05 2f3oA1 PHE 625 HE2 -0.02 0.02 -0.24 -0.04 7.38 7.09 2f3oA1 PHE 625 HZ -0.04 -0.02 -0.05 -0.04 7.32 7.17 2f3oA1 ALA 626 H 0.11 0.70 0.22 -0.55 8.40 8.88 2f3oA1 ALA 626 HA -0.05 0.19 0.83 -0.75 4.34 4.56 2f3oA1 ALA 626 HB3 -0.17 0.00 -0.21 -0.04 1.41 1.00 2f3oA1 ALA 627 H -0.00 0.22 0.14 -0.55 8.40 8.21 2f3oA1 ALA 627 HA 0.10 0.18 0.71 -0.75 4.34 4.58 2f3oA1 ALA 627 HB3 0.06 0.03 0.17 -0.04 1.41 1.63 2f3oA1 GLY 628 H 0.18 0.78 0.46 -0.55 8.43 9.30 2f3oA1 GLY 628 HA2 0.14 0.21 0.75 -0.51 4.01 4.60 2f3oA1 GLY 628 HA3 0.13 0.06 0.18 -0.51 4.01 3.86 2f3oA1 CYS 629 H 0.17 0.72 0.19 -0.55 8.50 9.03 2f3oA1 CYS 629 HA -0.04 0.10 0.85 -0.75 4.58 4.73 2f3oA1 CYS 629 HB2 0.04 0.04 -0.08 -0.04 2.97 2.93 2f3oA1 CYS 629 HB3 0.10 -0.09 0.24 -0.04 2.97 3.18 2f3oA1 TYR 630 H -0.20 0.34 0.05 -0.55 8.29 7.93 2f3oA1 TYR 630 HA 0.05 0.09 0.79 -0.75 4.56 4.74 2f3oA1 TYR 630 HB2 0.07 0.11 0.09 -0.04 3.06 3.29 2f3oA1 TYR 630 HB3 0.02 0.01 -0.28 -0.04 2.98 2.69 2f3oA1 TYR 630 HD2 0.06 -0.06 -0.32 -0.04 7.15 6.79 2f3oA1 TYR 630 HE2 0.04 0.12 -0.11 -0.04 6.85 6.87 2f3oA1 PRO 631 HA 0.02 0.21 0.56 -0.51 4.44 4.72 2f3oA1 PRO 631 HB2 0.06 -0.08 -0.14 -0.04 2.28 2.08 2f3oA1 PRO 631 HB3 0.06 -0.06 0.10 -0.04 2.02 2.08 2f3oA1 PRO 631 HG2 0.19 0.34 0.08 -0.04 2.03 2.59 2f3oA1 PRO 631 HG3 0.11 -0.09 0.07 -0.04 2.03 2.08 2f3oA1 PRO 631 HD2 0.31 0.26 0.23 -0.04 3.68 4.44 2f3oA1 PRO 631 HD3 0.19 0.08 0.25 -0.04 3.65 4.14 2f3oA1 MET 632 H 0.38 0.12 -0.10 -0.55 8.47 8.32 2f3oA1 MET 632 HA 0.26 0.05 0.17 -0.75 4.52 4.25 2f3oA1 MET 632 HB2 -0.10 0.12 0.45 -0.04 2.15 2.57 2f3oA1 MET 632 HB3 0.04 0.01 0.21 -0.04 2.03 2.25 2f3oA1 MET 632 HG2 0.25 -0.00 -0.19 -0.04 2.63 2.65 2f3oA1 MET 632 HG3 0.45 0.05 -0.05 -0.04 2.56 2.97 2f3oA1 MET 632 HE3 -0.96 0.02 -0.15 -0.04 2.10 0.98 2f3oA1 THR 633 H -0.02 0.44 0.12 -0.55 8.28 8.27 2f3oA1 THR 633 HA 0.06 0.22 0.81 -0.75 4.39 4.72 2f3oA1 THR 633 HB -0.03 -0.04 0.16 -0.04 4.32 4.36 2f3oA1 THR 633 HG23 0.28 0.02 -0.19 -0.04 1.22 1.30 2f3oA1 THR 634 H -0.18 0.56 0.00 -0.55 8.28 8.10 2f3oA1 THR 634 HA -0.42 0.05 0.58 -0.75 4.39 3.84 2f3oA1 THR 634 HB -0.94 -0.04 0.07 -0.04 4.32 3.36 2f3oA1 THR 634 HG23 -0.48 0.00 0.08 -0.04 1.22 0.78 2f3oA1 ASN 635 H -0.09 0.18 -0.38 -0.55 8.53 7.69 2f3oA1 ASN 635 HA 0.04 0.05 0.45 -0.75 4.76 4.54 2f3oA1 ASN 635 HB2 0.00 -0.01 -0.33 -0.04 2.88 2.49 2f3oA1 ASN 635 HB3 0.01 -0.04 -0.08 -0.04 2.79 2.65 2f3oA1 ASN 635 HD21 -0.02 0.02 -0.15 -0.04 7.03 6.85 2f3oA1 ASN 635 HD22 -0.01 0.38 -0.36 -0.04 7.74 7.72 2f3oA1 VAL 636 H -0.21 0.22 -0.38 -0.55 8.24 7.32 2f3oA1 VAL 636 HA -0.31 0.06 0.56 -0.75 4.13 3.69 2f3oA1 VAL 636 HB -0.33 0.28 0.16 -0.04 2.12 2.18 2f3oA1 VAL 636 HG13 -0.49 -0.01 -0.12 -0.04 0.97 0.31 2f3oA1 VAL 636 HG23 -0.12 -0.02 -0.05 -0.04 0.95 0.71 2f3oA1 GLY 637 H -0.59 0.29 -0.02 -0.55 8.43 7.56 2f3oA1 GLY 637 HA2 -1.12 0.04 0.19 -0.51 4.01 2.61 2f3oA1 GLY 637 HA3 -1.51 0.00 0.21 -0.51 4.01 2.20 2f3oA1 PHE 638 H -0.27 0.60 -0.17 -0.55 8.34 7.95 2f3oA1 PHE 638 HA 0.23 0.19 0.33 -0.75 4.62 4.61 2f3oA1 PHE 638 HB2 -0.01 -0.01 0.03 -0.04 3.15 3.12 2f3oA1 PHE 638 HB3 0.05 -0.06 -0.10 -0.04 3.06 2.91 2f3oA1 PHE 638 HD2 0.13 0.11 -0.14 -0.04 7.28 7.33 2f3oA1 PHE 638 HE2 0.02 -0.03 -0.44 -0.04 7.38 6.88 2f3oA1 PHE 638 HZ 0.05 -0.11 -0.18 -0.04 7.32 7.04 2f3oA1 GLY 639 H -0.07 0.15 -0.53 -0.55 8.43 7.43 2f3oA1 GLY 639 HA2 0.03 -0.04 0.32 -0.51 4.01 3.80 2f3oA1 GLY 639 HA3 -0.10 0.05 0.16 -0.51 4.01 3.61 2f3oA1 PHE 640 H -0.43 0.39 -0.20 -0.55 8.34 7.55 2f3oA1 PHE 640 HA -0.20 0.13 0.40 -0.75 4.62 4.19 2f3oA1 PHE 640 HB2 -0.77 0.17 0.07 -0.04 3.15 2.57 2f3oA1 PHE 640 HB3 -0.89 -0.09 -0.04 -0.04 3.06 2.00 2f3oA1 PHE 640 HD2 -0.20 0.10 0.05 -0.04 7.28 7.18 2f3oA1 PHE 640 HE2 -0.14 -0.07 -0.02 -0.04 7.38 7.11 2f3oA1 PHE 640 HZ -0.11 -0.11 -0.03 -0.04 7.32 7.03 2f3oA1 PHE 641 H 0.20 0.29 -0.45 -0.55 8.34 7.83 2f3oA1 PHE 641 HA 0.34 0.11 0.65 -0.75 4.62 4.96 2f3oA1 PHE 641 HB2 0.18 0.06 -0.02 -0.04 3.15 3.34 2f3oA1 PHE 641 HB3 0.04 -0.10 0.12 -0.04 3.06 3.07 2f3oA1 PHE 641 HD2 0.14 0.09 -0.04 -0.04 7.28 7.42 2f3oA1 PHE 641 HE2 0.20 -0.06 -0.04 -0.04 7.38 7.44 2f3oA1 PHE 641 HZ 0.13 -0.08 -0.05 -0.04 7.32 7.28 2f3oA1 THR 642 H 0.16 0.59 -0.25 -0.55 8.28 8.24 2f3oA1 THR 642 HA 0.13 -0.04 0.90 -0.75 4.39 4.63 2f3oA1 THR 642 HB 0.06 0.13 0.11 -0.04 4.32 4.58 2f3oA1 THR 642 HG23 0.00 0.01 -0.14 -0.04 1.22 1.05 2f3oA1 SER 643 H 0.05 -0.01 0.05 -0.55 8.46 8.00 2f3oA1 SER 643 HA -0.04 0.09 0.44 -0.75 4.49 4.24 2f3oA1 SER 643 HB2 -0.11 0.07 0.10 -0.04 3.95 3.97 2f3oA1 SER 643 HB3 -0.04 -0.14 0.08 -0.04 3.93 3.79 2f3oA1 ALA 644 H -0.14 0.16 0.17 -0.55 8.40 8.03 2f3oA1 ALA 644 HA -0.04 0.20 0.31 -0.75 4.34 4.06 2f3oA1 ALA 644 HB3 -0.32 -0.01 0.16 -0.04 1.41 1.20 2f3oA1 LEU 645 H 0.03 0.34 0.20 -0.55 8.37 8.39 2f3oA1 LEU 645 HA -0.04 0.23 0.81 -0.75 4.35 4.60 2f3oA1 LEU 645 HB2 0.02 -0.16 0.02 -0.04 1.64 1.48 2f3oA1 LEU 645 HB3 -0.01 0.00 0.03 -0.04 1.64 1.62 2f3oA1 LEU 645 HG -0.01 0.23 -0.21 -0.04 1.64 1.62 2f3oA1 LEU 645 HD13 -0.01 -0.03 -0.09 -0.04 0.93 0.75 2f3oA1 LEU 645 HD23 -0.04 0.02 -0.23 -0.04 0.89 0.60 2f3oA1 PRO 646 HA 0.14 0.09 0.26 -0.51 4.44 4.42 2f3oA1 PRO 646 HB2 -0.02 0.10 0.04 -0.04 2.28 2.36 2f3oA1 PRO 646 HB3 -0.01 0.03 0.07 -0.04 2.02 2.07 2f3oA1 PRO 646 HG2 -0.03 0.04 0.01 -0.04 2.03 2.01 2f3oA1 PRO 646 HG3 -0.03 0.10 -0.00 -0.04 2.03 2.06 2f3oA1 PRO 646 HD2 -0.02 0.07 0.12 -0.04 3.68 3.81 2f3oA1 PRO 646 HD3 -0.03 0.20 0.17 -0.04 3.65 3.95 2f3oA1 SER 647 H 0.03 0.05 -0.57 -0.55 8.46 7.43 2f3oA1 SER 647 HA -0.01 0.21 0.49 -0.75 4.49 4.43 2f3oA1 SER 647 HB2 0.01 0.05 -0.02 -0.04 3.95 3.94 2f3oA1 SER 647 HB3 -0.00 -0.07 -0.05 -0.04 3.93 3.77 2f3oA1 GLY 648 H 0.15 0.43 -0.17 -0.55 8.43 8.29 2f3oA1 GLY 648 HA2 -0.06 -0.02 0.15 -0.51 4.01 3.57 2f3oA1 GLY 648 HA3 0.02 0.16 0.51 -0.51 4.01 4.19 2f3oA1 ARG 649 H 0.10 -0.04 -0.18 -0.55 8.46 7.79 2f3oA1 ARG 649 HA 0.08 0.08 0.46 -0.75 4.34 4.21 2f3oA1 ARG 649 HB2 0.05 -0.09 0.02 -0.04 1.90 1.84 2f3oA1 ARG 649 HB3 0.05 -0.06 0.02 -0.04 1.80 1.77 2f3oA1 ARG 649 HG2 0.04 0.10 -0.03 -0.04 1.67 1.73 2f3oA1 ARG 649 HG3 0.03 -0.03 -0.02 -0.04 1.67 1.61 2f3oA1 ARG 649 HD2 0.02 0.05 -0.04 -0.04 3.22 3.20 2f3oA1 ARG 649 HD3 0.02 -0.19 -0.06 -0.04 3.22 2.95 2f3oA1 LYS 650 H 0.09 0.11 0.14 -0.55 8.42 8.20 2f3oA1 LYS 650 HA 0.11 0.06 0.54 -0.75 4.32 4.28 2f3oA1 LYS 650 HB2 0.07 -0.03 0.04 -0.04 1.87 1.90 2f3oA1 LYS 650 HB3 0.05 0.07 0.00 -0.04 1.79 1.88 2f3oA1 LYS 650 HG2 0.17 0.08 -0.01 -0.04 1.46 1.66 2f3oA1 LYS 650 HG3 0.11 -0.02 0.00 -0.04 1.46 1.51 2f3oA1 LYS 650 HD2 0.18 -0.03 -0.06 -0.04 1.69 1.74 2f3oA1 LYS 650 HD3 0.22 -0.02 -0.08 -0.04 1.68 1.77 2f3oA1 LYS 650 HE2 0.07 -0.01 0.00 -0.04 2.99 3.01 2f3oA1 LYS 650 HE3 0.07 0.13 0.04 -0.04 2.99 3.19 2f3oA1 SER 651 H -0.04 0.07 0.13 -0.55 8.46 8.06 2f3oA1 SER 651 HA -0.01 0.20 0.23 -0.75 4.49 4.15 2f3oA1 SER 651 HB2 -0.09 -0.23 0.19 -0.04 3.95 3.78 2f3oA1 SER 651 HB3 -0.08 -0.04 0.21 -0.04 3.93 3.98 2f3oA1 GLY 652 H 0.03 0.52 0.21 -0.55 8.43 8.65 2f3oA1 GLY 652 HA2 0.06 0.24 0.35 -0.51 4.01 4.15 2f3oA1 GLY 652 HA3 0.03 0.03 0.72 -0.51 4.01 4.29 2f3oA1 GLU 653 H 0.03 0.40 -0.17 -0.55 8.60 8.32 2f3oA1 GLU 653 HA 0.04 0.02 0.31 -0.75 4.29 3.91 2f3oA1 GLU 653 HB2 0.04 0.20 0.10 -0.04 2.09 2.38 2f3oA1 GLU 653 HB3 0.02 0.03 0.01 -0.04 1.99 2.01 2f3oA1 GLU 653 HG2 0.03 -0.01 0.00 -0.04 2.34 2.32 2f3oA1 GLU 653 HG3 0.04 0.01 -0.10 -0.04 2.34 2.24 2f3oA1 PRO 654 HA -0.11 0.07 0.54 -0.51 4.44 4.43 2f3oA1 PRO 654 HB2 -0.02 -0.02 -0.03 -0.04 2.28 2.17 2f3oA1 PRO 654 HB3 -0.07 -0.03 -0.01 -0.04 2.02 1.87 2f3oA1 PRO 654 HG2 -0.02 0.02 0.05 -0.04 2.03 2.05 2f3oA1 PRO 654 HG3 -0.07 0.01 0.08 -0.04 2.03 2.00 2f3oA1 PRO 654 HD2 0.01 0.05 0.18 -0.04 3.68 3.88 2f3oA1 PRO 654 HD3 0.02 0.18 0.18 -0.04 3.65 3.99 2f3oA1 LEU 655 H -0.04 0.51 0.14 -0.55 8.37 8.43 2f3oA1 LEU 655 HA 0.01 0.13 0.71 -0.75 4.35 4.44 2f3oA1 LEU 655 HB2 0.03 -0.01 0.11 -0.04 1.64 1.73 2f3oA1 LEU 655 HB3 0.02 -0.27 0.18 -0.04 1.64 1.52 2f3oA1 LEU 655 HG 0.03 0.16 -0.01 -0.04 1.64 1.78 2f3oA1 LEU 655 HD13 0.10 -0.02 -0.09 -0.04 0.93 0.88 2f3oA1 LEU 655 HD23 0.01 0.00 -0.03 -0.04 0.89 0.83 2f3oA1 ASN 656 H 0.01 -0.11 0.13 -0.55 8.53 8.02 2f3oA1 ASN 656 HA 0.02 0.28 0.55 -0.75 4.76 4.86 2f3oA1 ASN 656 HB2 0.06 0.45 -0.19 -0.04 2.88 3.16 2f3oA1 ASN 656 HB3 0.04 -0.11 -0.04 -0.04 2.79 2.64 2f3oA1 ASN 656 HD21 -0.01 -0.18 -0.09 -0.04 7.03 6.70 2f3oA1 ASN 656 HD22 0.07 0.72 -0.33 -0.04 7.74 8.15 2f3oA1 PRO 657 HA 0.05 -0.01 0.77 -0.51 4.44 4.74 2f3oA1 PRO 657 HB2 0.06 0.03 0.08 -0.04 2.28 2.41 2f3oA1 PRO 657 HB3 0.04 0.01 0.03 -0.04 2.02 2.06 2f3oA1 PRO 657 HG2 0.03 0.04 0.12 -0.04 2.03 2.18 2f3oA1 PRO 657 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2f3oA1 PRO 657 HD2 0.05 0.27 0.04 -0.04 3.68 4.01 2f3oA1 PRO 657 HD3 0.03 0.09 0.16 -0.04 3.65 3.89 2f3oA1 GLY 658 H 0.06 0.07 0.19 -0.55 8.43 8.20 2f3oA1 GLY 658 HA2 0.09 0.00 0.23 -0.51 4.01 3.83 2f3oA1 GLY 658 HA3 0.12 0.25 0.68 -0.51 4.01 4.54 2f3oA1 VAL 659 H 0.13 0.62 0.34 -0.55 8.24 8.78 2f3oA1 VAL 659 HA 0.08 0.06 0.78 -0.75 4.13 4.30 2f3oA1 VAL 659 HB 0.19 -0.01 0.19 -0.04 2.12 2.45 2f3oA1 VAL 659 HG13 0.12 -0.00 -0.02 -0.04 0.97 1.03 2f3oA1 VAL 659 HG23 0.21 0.00 -0.16 -0.04 0.95 0.96 2f3oA1 SER 660 H 0.11 0.44 -0.21 -0.55 8.46 8.25 2f3oA1 SER 660 HA 0.10 0.10 0.79 -0.75 4.49 4.73 2f3oA1 SER 660 HB2 0.06 0.15 0.21 -0.04 3.95 4.33 2f3oA1 SER 660 HB3 0.04 0.08 0.18 -0.04 3.93 4.19 2f3oA1 PRO 661 HA 0.28 -0.10 0.28 -0.51 4.44 4.39 2f3oA1 PRO 661 HB2 -0.01 0.12 -0.04 -0.04 2.28 2.30 2f3oA1 PRO 661 HB3 -0.15 0.05 -0.01 -0.04 2.02 1.87 2f3oA1 PRO 661 HG2 -0.03 0.07 0.07 -0.04 2.03 2.10 2f3oA1 PRO 661 HG3 -0.13 0.01 0.14 -0.04 2.03 2.01 2f3oA1 PRO 661 HD2 0.00 0.11 0.27 -0.04 3.68 4.02 2f3oA1 PRO 661 HD3 -0.10 0.13 0.19 -0.04 3.65 3.83 2f3oA1 SER 662 H 0.10 0.05 0.07 -0.55 8.46 8.13 2f3oA1 SER 662 HA 0.04 0.07 0.37 -0.75 4.49 4.21 2f3oA1 SER 662 HB2 0.04 0.01 0.01 -0.04 3.95 3.96 2f3oA1 SER 662 HB3 0.03 0.15 -0.04 -0.04 3.93 4.02 2f3oA1 THR 663 H 0.02 0.13 0.04 -0.55 8.28 7.92 2f3oA1 THR 663 HA 0.01 0.07 0.42 -0.75 4.39 4.13 2f3oA1 THR 663 HB 0.01 -0.01 0.10 -0.04 4.32 4.38 2f3oA1 THR 663 HG23 0.01 0.02 -0.16 -0.04 1.22 1.04 2f3oA1 GLY 664 H 0.00 0.17 0.19 -0.55 8.43 8.25 2f3oA1 GLY 664 HA2 -0.00 0.03 0.30 -0.51 4.01 3.83 2f3oA1 GLY 664 HA3 -0.00 0.10 0.30 -0.51 4.01 3.90 2f3oA1 MET 665 H -0.00 0.36 -0.26 -0.55 8.47 8.02 2f3oA1 MET 665 HA -0.01 0.25 0.80 -0.75 4.52 4.81 2f3oA1 MET 665 HB2 0.01 -0.00 -0.08 -0.04 2.15 2.04 2f3oA1 MET 665 HB3 0.00 -0.05 0.08 -0.04 2.03 2.03 2f3oA1 MET 665 HG2 0.01 0.09 -0.56 -0.04 2.63 2.14 2f3oA1 MET 665 HG3 0.02 -0.12 -0.13 -0.04 2.56 2.28 2f3oA1 MET 665 HE3 0.00 0.02 -0.13 -0.04 2.10 1.96 2f3oA1 ASP 666 H -0.02 0.08 -0.19 -0.55 8.40 7.73 2f3oA1 ASP 666 HA -0.04 0.13 0.60 -0.75 4.63 4.56 2f3oA1 ASP 666 HB2 -0.04 0.06 0.11 -0.04 2.71 2.80 2f3oA1 ASP 666 HB3 -0.05 -0.00 0.06 -0.04 2.70 2.67 2f3oA1 ARG 667 H -0.02 0.27 -0.21 -0.55 8.46 7.94 2f3oA1 ARG 667 HA -0.02 0.07 0.32 -0.75 4.34 3.96 2f3oA1 ARG 667 HB2 -0.02 -0.02 0.05 -0.04 1.90 1.87 2f3oA1 ARG 667 HB3 -0.02 -0.03 -0.04 -0.04 1.80 1.67 2f3oA1 ARG 667 HG2 -0.02 -0.00 -0.09 -0.04 1.67 1.52 2f3oA1 ARG 667 HG3 -0.02 0.00 -0.26 -0.04 1.67 1.36 2f3oA1 ARG 667 HD2 -0.02 -0.04 -0.02 -0.04 3.22 3.10 2f3oA1 ARG 667 HD3 -0.02 -0.04 -0.03 -0.04 3.22 3.09 2f3oA1 GLU 668 H -0.02 0.07 0.05 -0.55 8.60 8.15 2f3oA1 GLU 668 HA -0.02 0.04 0.74 -0.75 4.29 4.30 2f3oA1 GLU 668 HB2 -0.03 0.02 -0.01 -0.04 2.09 2.03 2f3oA1 GLU 668 HB3 -0.02 -0.06 0.08 -0.04 1.99 1.95 2f3oA1 GLU 668 HG2 -0.02 -0.07 0.14 -0.04 2.34 2.35 2f3oA1 GLU 668 HG3 -0.02 0.17 0.11 -0.04 2.34 2.55 2f3oA1 GLY 669 H -0.02 -0.02 -0.01 -0.55 8.43 7.83 2f3oA1 GLY 669 HA2 -0.02 0.31 -0.24 -0.51 4.01 3.56 2f3oA1 GLY 669 HA3 -0.01 -0.12 0.08 -0.51 4.01 3.45 2f3oA1 VAL 670 H -0.00 0.54 0.05 -0.55 8.24 8.28 2f3oA1 VAL 670 HA -0.00 0.13 0.21 -0.75 4.13 3.72 2f3oA1 VAL 670 HB 0.01 0.25 0.20 -0.04 2.12 2.54 2f3oA1 VAL 670 HG13 0.06 -0.02 -0.10 -0.04 0.97 0.87 2f3oA1 VAL 670 HG23 0.03 0.01 0.01 -0.04 0.95 0.96 2f3oA1 THR 671 H -0.00 0.04 -0.06 -0.55 8.28 7.72 2f3oA1 THR 671 HA 0.01 0.12 0.49 -0.75 4.39 4.26 2f3oA1 THR 671 HB -0.01 -0.07 0.06 -0.04 4.32 4.26 2f3oA1 THR 671 HG23 -0.01 0.02 -0.13 -0.04 1.22 1.06 2f3oA1 ALA 672 H -0.02 0.08 -0.40 -0.55 8.40 7.51 2f3oA1 ALA 672 HA -0.03 -0.00 0.25 -0.75 4.34 3.80 2f3oA1 ALA 672 HB3 -0.03 0.06 -0.26 -0.04 1.41 1.14 2f3oA1 VAL 673 H -0.04 0.32 -0.33 -0.55 8.24 7.63 2f3oA1 VAL 673 HA -0.14 0.06 0.60 -0.75 4.13 3.90 2f3oA1 VAL 673 HB -0.03 0.13 0.17 -0.04 2.12 2.35 2f3oA1 VAL 673 HG13 -0.07 -0.02 -0.03 -0.04 0.97 0.82 2f3oA1 VAL 673 HG23 -0.06 0.07 0.07 -0.04 0.95 1.00 2f3oA1 ILE 674 H -0.03 0.40 -0.13 -0.55 8.25 7.94 2f3oA1 ILE 674 HA -0.02 0.04 0.37 -0.75 4.18 3.82 2f3oA1 ILE 674 HB -0.01 0.12 0.16 -0.04 1.89 2.12 2f3oA1 ILE 674 HG12 -0.02 -0.02 -0.02 -0.04 1.49 1.39 2f3oA1 ILE 674 HG13 0.00 0.13 0.09 -0.04 1.21 1.39 2f3oA1 ILE 674 HG23 -0.04 -0.01 -0.15 -0.04 0.93 0.69 2f3oA1 ILE 674 HD13 0.07 -0.03 -0.04 -0.04 0.88 0.85 2f3oA1 ASN 675 H -0.03 0.40 -0.19 -0.55 8.53 8.17 2f3oA1 ASN 675 HA -0.01 0.11 0.33 -0.75 4.76 4.44 2f3oA1 ASN 675 HB2 -0.03 -0.00 0.06 -0.04 2.88 2.87 2f3oA1 ASN 675 HB3 -0.02 -0.01 -0.06 -0.04 2.79 2.66 2f3oA1 ASN 675 HD21 -0.01 -0.07 -0.12 -0.04 7.03 6.79 2f3oA1 ASN 675 HD22 -0.02 0.39 -0.13 -0.04 7.74 7.94 2f3oA1 SER 676 H -0.07 0.43 -0.28 -0.55 8.46 8.00 2f3oA1 SER 676 HA -0.02 -0.03 0.39 -0.75 4.49 4.09 2f3oA1 SER 676 HB2 -0.23 0.33 0.19 -0.04 3.95 4.20 2f3oA1 SER 676 HB3 -0.53 0.03 -0.00 -0.04 3.93 3.39 2f3oA1 ALA 677 H -0.03 0.59 -0.14 -0.55 8.40 8.27 2f3oA1 ALA 677 HA 0.25 -0.01 0.45 -0.75 4.34 4.28 2f3oA1 ALA 677 HB3 0.11 0.01 0.11 -0.04 1.41 1.60 2f3oA1 SER 678 H 0.06 0.43 -0.36 -0.55 8.46 8.04 2f3oA1 SER 678 HA 0.28 0.08 0.50 -0.75 4.49 4.60 2f3oA1 SER 678 HB2 0.05 0.23 -0.19 -0.04 3.95 4.00 2f3oA1 SER 678 HB3 0.03 -0.03 -0.06 -0.04 3.93 3.82 2f3oA1 LYS 679 H 0.06 0.22 -0.65 -0.55 8.42 7.49 2f3oA1 LYS 679 HA 0.00 0.16 0.83 -0.75 4.32 4.56 2f3oA1 LYS 679 HB2 0.05 0.18 0.10 -0.04 1.87 2.15 2f3oA1 LYS 679 HB3 -0.00 -0.12 0.03 -0.04 1.79 1.65 2f3oA1 LYS 679 HG2 0.00 -0.07 -0.01 -0.04 1.46 1.34 2f3oA1 LYS 679 HG3 0.01 0.20 -0.13 -0.04 1.46 1.50 2f3oA1 LYS 679 HD2 0.02 0.00 0.01 -0.04 1.69 1.68 2f3oA1 LYS 679 HD3 0.02 -0.12 -0.09 -0.04 1.68 1.46 2f3oA1 LYS 679 HE2 -0.00 -0.00 -0.09 -0.04 2.99 2.85 2f3oA1 LYS 679 HE3 -0.00 0.06 -0.19 -0.04 2.99 2.81 2f3oA1 LEU 680 H -0.08 0.25 -0.07 -0.55 8.37 7.92 2f3oA1 LEU 680 HA -0.17 -0.03 0.49 -0.75 4.35 3.89 2f3oA1 LEU 680 HB2 -0.69 0.08 0.06 -0.04 1.64 1.06 2f3oA1 LEU 680 HB3 -0.32 -0.05 0.00 -0.04 1.64 1.22 2f3oA1 LEU 680 HG -0.01 0.09 0.15 -0.04 1.64 1.84 2f3oA1 LEU 680 HD13 -0.03 0.00 0.05 -0.04 0.93 0.91 2f3oA1 LEU 680 HD23 -0.15 -0.03 -0.08 -0.04 0.89 0.58 2f3oA1 SER 681 H -0.17 0.11 0.11 -0.55 8.46 7.97 2f3oA1 SER 681 HA -0.09 0.14 0.50 -0.75 4.49 4.29 2f3oA1 SER 681 HB2 -0.05 -0.00 0.18 -0.04 3.95 4.04 2f3oA1 SER 681 HB3 -0.02 -0.03 0.05 -0.04 3.93 3.89 2f3oA1 TYR 682 H -0.02 0.41 0.23 -0.55 8.29 8.36 2f3oA1 TYR 682 HA 0.03 0.07 0.24 -0.75 4.56 4.14 2f3oA1 TYR 682 HB2 0.02 0.06 0.08 -0.04 3.06 3.17 2f3oA1 TYR 682 HB3 0.03 0.01 -0.03 -0.04 2.98 2.94 2f3oA1 TYR 682 HD2 0.03 0.13 0.04 -0.04 7.15 7.30 2f3oA1 TYR 682 HE2 0.03 0.04 0.06 -0.04 6.85 6.94 2f3oA1 GLU 683 H 0.09 0.07 -0.19 -0.55 8.60 8.02 2f3oA1 GLU 683 HA 0.05 0.06 0.21 -0.75 4.29 3.86 2f3oA1 GLU 683 HB2 0.03 0.08 -0.03 -0.04 2.09 2.13 2f3oA1 GLU 683 HB3 0.05 -0.02 0.01 -0.04 1.99 1.99 2f3oA1 GLU 683 HG2 0.02 0.05 -0.22 -0.04 2.34 2.15 2f3oA1 GLU 683 HG3 0.02 0.03 -0.09 -0.04 2.34 2.26 2f3oA1 ASN 684 H 0.03 0.27 -0.57 -0.55 8.53 7.72 2f3oA1 ASN 684 HA 0.02 0.26 0.89 -0.75 4.76 5.17 2f3oA1 ASN 684 HB2 0.02 0.07 0.03 -0.04 2.88 2.96 2f3oA1 ASN 684 HB3 0.03 -0.03 0.16 -0.04 2.79 2.90 2f3oA1 ASN 684 HD21 0.02 -0.03 -0.09 -0.04 7.03 6.89 2f3oA1 ASN 684 HD22 0.02 0.11 -0.00 -0.04 7.74 7.82 2f3oA1 LEU 685 H 0.06 0.56 -0.27 -0.55 8.37 8.18 2f3oA1 LEU 685 HA 0.07 0.23 0.94 -0.75 4.35 4.83 2f3oA1 LEU 685 HB2 0.10 -0.03 -0.11 -0.04 1.64 1.56 2f3oA1 LEU 685 HB3 0.18 -0.02 0.20 -0.04 1.64 1.96 2f3oA1 LEU 685 HG 0.14 0.03 -0.04 -0.04 1.64 1.73 2f3oA1 LEU 685 HD13 0.13 0.01 -0.32 -0.04 0.93 0.70 2f3oA1 LEU 685 HD23 0.19 -0.04 -0.11 -0.04 0.89 0.88 2f3oA1 PRO 686 HA -0.04 0.04 0.05 -0.51 4.44 3.98 2f3oA1 PRO 686 HB2 -0.23 0.00 -0.02 -0.04 2.28 1.99 2f3oA1 PRO 686 HB3 -0.12 0.21 -0.13 -0.04 2.02 1.94 2f3oA1 PRO 686 HG2 -0.17 -0.06 -0.05 -0.04 2.03 1.71 2f3oA1 PRO 686 HG3 -0.15 0.12 0.01 -0.04 2.03 1.97 2f3oA1 PRO 686 HD2 -0.01 -0.03 0.20 -0.04 3.68 3.80 2f3oA1 PRO 686 HD3 -0.02 0.16 -0.29 -0.04 3.65 3.46 2f3oA1 ASN 687 H 0.03 0.59 -0.39 -0.55 8.53 8.21 2f3oA1 ASN 687 HA 0.01 0.24 0.95 -0.75 4.76 5.21 2f3oA1 ASN 687 HB2 0.02 -0.03 -0.38 -0.04 2.88 2.44 2f3oA1 ASN 687 HB3 0.10 -0.03 -0.39 -0.04 2.79 2.43 2f3oA1 ASN 687 HD21 0.20 0.60 0.19 -0.04 7.03 7.97 2f3oA1 ASN 687 HD22 0.22 -0.13 -0.07 -0.04 7.74 7.71 2f3oA1 GLY 688 H 0.07 0.39 -0.07 -0.55 8.43 8.27 2f3oA1 GLY 688 HA2 0.07 0.02 0.31 -0.51 4.01 3.90 2f3oA1 GLY 688 HA3 0.08 0.22 0.43 -0.51 4.01 4.23 2f3oA1 ALA 689 H 0.01 0.28 0.16 -0.55 8.40 8.30 2f3oA1 ALA 689 HA 0.16 0.17 0.78 -0.75 4.34 4.70 2f3oA1 ALA 689 HB3 0.22 -0.01 0.03 -0.04 1.41 1.61 2f3oA1 SER 690 H 0.14 0.52 0.32 -0.55 8.46 8.89 2f3oA1 SER 690 HA -0.09 0.20 1.00 -0.75 4.49 4.85 2f3oA1 SER 690 HB2 0.00 0.02 0.02 -0.04 3.95 3.95 2f3oA1 SER 690 HB3 0.17 -0.11 0.33 -0.04 3.93 4.28 2f3oA1 LEU 691 H 0.48 0.28 -0.04 -0.55 8.37 8.54 2f3oA1 LEU 691 HA 0.08 0.14 0.85 -0.75 4.35 4.66 2f3oA1 LEU 691 HB2 0.09 -0.03 -0.00 -0.04 1.64 1.66 2f3oA1 LEU 691 HB3 -0.03 0.31 0.26 -0.04 1.64 2.14 2f3oA1 LEU 691 HG -0.10 -0.07 -0.30 -0.04 1.64 1.14 2f3oA1 LEU 691 HD13 0.03 0.02 -0.08 -0.04 0.93 0.86 2f3oA1 LEU 691 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 2f3oA1 THR 692 H 0.02 0.25 0.07 -0.55 8.28 8.08 2f3oA1 THR 692 HA -0.11 0.19 0.98 -0.75 4.39 4.70 2f3oA1 THR 692 HB -0.00 0.04 0.05 -0.04 4.32 4.36 2f3oA1 THR 692 HG23 -0.04 0.03 -0.28 -0.04 1.22 0.89 2f3oA1 ILE 693 H -0.18 0.82 0.34 -0.55 8.25 8.68 2f3oA1 ILE 693 HA 0.00 0.18 1.02 -0.75 4.18 4.62 2f3oA1 ILE 693 HB -0.15 -0.01 0.12 -0.04 1.89 1.81 2f3oA1 ILE 693 HG12 -0.14 -0.04 -0.26 -0.04 1.49 1.00 2f3oA1 ILE 693 HG13 0.00 -0.04 -0.06 -0.04 1.21 1.07 2f3oA1 ILE 693 HG23 0.23 -0.01 -0.13 -0.04 0.93 0.97 2f3oA1 ILE 693 HD13 -0.01 0.06 -0.01 -0.04 0.88 0.88 2f3oA1 ASN 694 H 0.03 0.27 0.18 -0.55 8.53 8.47 2f3oA1 ASN 694 HA 0.05 0.10 1.03 -0.75 4.76 5.19 2f3oA1 ASN 694 HB2 0.01 0.28 0.06 -0.04 2.88 3.19 2f3oA1 ASN 694 HB3 0.01 -0.03 -0.10 -0.04 2.79 2.63 2f3oA1 ASN 694 HD21 -0.01 0.02 -0.04 -0.04 7.03 6.96 2f3oA1 ASN 694 HD22 0.00 0.09 -0.10 -0.04 7.74 7.69 2f3oA1 LEU 695 H 0.04 0.79 0.45 -0.55 8.37 9.10 2f3oA1 LEU 695 HA 0.01 0.20 1.08 -0.75 4.35 4.89 2f3oA1 LEU 695 HB2 0.01 0.07 0.15 -0.04 1.64 1.83 2f3oA1 LEU 695 HB3 -0.01 0.07 0.02 -0.04 1.64 1.67 2f3oA1 LEU 695 HG 0.08 -0.07 -0.33 -0.04 1.64 1.29 2f3oA1 LEU 695 HD13 -0.06 -0.02 -0.08 -0.04 0.93 0.73 2f3oA1 LEU 695 HD23 0.01 0.01 -0.05 -0.04 0.89 0.82 2f3oA1 SER 696 H -0.01 0.54 0.33 -0.55 8.46 8.78 2f3oA1 SER 696 HA -0.02 0.26 0.78 -0.75 4.49 4.76 2f3oA1 SER 696 HB2 -0.01 0.12 0.12 -0.04 3.95 4.13 2f3oA1 SER 696 HB3 -0.01 0.07 0.25 -0.04 3.93 4.19 2f3oA1 SER 697 H -0.01 0.29 0.22 -0.55 8.46 8.41 2f3oA1 SER 697 HA -0.01 0.18 0.48 -0.75 4.49 4.38 2f3oA1 SER 697 HB2 -0.00 0.07 0.05 -0.04 3.95 4.03 2f3oA1 SER 697 HB3 -0.00 0.07 -0.07 -0.04 3.93 3.89 2f3oA1 ASP 698 H -0.01 0.05 -0.12 -0.55 8.40 7.77 2f3oA1 ASP 698 HA -0.01 0.12 0.53 -0.75 4.63 4.51 2f3oA1 ASP 698 HB2 -0.01 -0.04 0.11 -0.04 2.71 2.73 2f3oA1 ASP 698 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.69 2f3oA1 VAL 699 H -0.01 0.06 -0.20 -0.55 8.24 7.53 2f3oA1 VAL 699 HA -0.01 0.04 0.36 -0.75 4.13 3.76 2f3oA1 VAL 699 HB -0.01 0.02 0.19 -0.04 2.12 2.27 2f3oA1 VAL 699 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.86 2f3oA1 VAL 699 HG23 -0.01 -0.05 0.12 -0.04 0.95 0.97 2f3oA1 LEU 700 H -0.02 0.16 -0.45 -0.55 8.37 7.50 2f3oA1 LEU 700 HA -0.04 0.02 0.43 -0.75 4.35 4.01 2f3oA1 LEU 700 HB2 -0.03 0.17 0.11 -0.04 1.64 1.85 2f3oA1 LEU 700 HB3 -0.03 -0.03 -0.10 -0.04 1.64 1.44 2f3oA1 LEU 700 HG -0.04 0.05 0.05 -0.04 1.64 1.66 2f3oA1 LEU 700 HD13 -0.08 -0.05 0.05 -0.04 0.93 0.80 2f3oA1 LEU 700 HD23 -0.05 0.06 -0.06 -0.04 0.89 0.79 2f3oA1 GLY 701 H -0.02 0.30 -0.15 -0.55 8.43 8.02 2f3oA1 GLY 701 HA2 -0.01 0.04 0.31 -0.51 4.01 3.83 2f3oA1 GLY 701 HA3 -0.01 -0.02 0.30 -0.51 4.01 3.76 2f3oA1 GLU 702 H -0.01 0.12 0.18 -0.55 8.60 8.34 2f3oA1 GLU 702 HA -0.01 0.13 0.48 -0.75 4.29 4.14 2f3oA1 GLU 702 HB2 -0.01 0.02 0.11 -0.04 2.09 2.17 2f3oA1 GLU 702 HB3 -0.01 -0.01 0.14 -0.04 1.99 2.06 2f3oA1 GLU 702 HG2 -0.01 -0.02 -0.07 -0.04 2.34 2.19 2f3oA1 GLU 702 HG3 -0.01 -0.00 0.10 -0.04 2.34 2.39 2f3oA1 LYS 703 H -0.02 0.19 -0.06 -0.55 8.42 7.98 2f3oA1 LYS 703 HA -0.02 0.06 0.69 -0.75 4.32 4.30 2f3oA1 LYS 703 HB2 -0.02 -0.12 0.18 -0.04 1.87 1.87 2f3oA1 LYS 703 HB3 -0.02 0.00 0.08 -0.04 1.79 1.82 2f3oA1 LYS 703 HG2 -0.01 -0.04 0.08 -0.04 1.46 1.44 2f3oA1 LYS 703 HG3 -0.02 0.23 0.12 -0.04 1.46 1.75 2f3oA1 LYS 703 HD2 -0.02 -0.08 0.07 -0.04 1.69 1.61 2f3oA1 LYS 703 HD3 -0.02 -0.03 0.04 -0.04 1.68 1.63 2f3oA1 LYS 703 HE2 -0.01 -0.04 0.03 -0.04 2.99 2.92 2f3oA1 LYS 703 HE3 -0.02 0.24 0.03 -0.04 2.99 3.20 2f3oA1 GLY 704 H -0.02 0.38 -0.47 -0.55 8.43 7.77 2f3oA1 GLY 704 HA2 -0.04 0.13 0.29 -0.51 4.01 3.87 2f3oA1 GLY 704 HA3 -0.03 0.12 0.16 -0.51 4.01 3.75 2f3oA1 ASP 705 H -0.03 0.13 -0.08 -0.55 8.40 7.88 2f3oA1 ASP 705 HA -0.05 0.13 0.32 -0.75 4.63 4.28 2f3oA1 ASP 705 HB2 -0.02 -0.07 0.12 -0.04 2.71 2.70 2f3oA1 ASP 705 HB3 -0.02 0.01 -0.04 -0.04 2.70 2.61 2f3oA1 ALA 706 H -0.03 0.12 -0.12 -0.55 8.40 7.82 2f3oA1 ALA 706 HA -0.02 0.01 0.20 -0.75 4.34 3.78 2f3oA1 ALA 706 HB3 -0.02 0.04 0.06 -0.04 1.41 1.44 2f3oA1 VAL 707 H -0.05 0.42 -0.37 -0.55 8.24 7.69 2f3oA1 VAL 707 HA -0.04 0.01 0.31 -0.75 4.13 3.66 2f3oA1 VAL 707 HB -0.04 0.09 0.12 -0.04 2.12 2.25 2f3oA1 VAL 707 HG13 -0.07 0.05 -0.07 -0.04 0.97 0.84 2f3oA1 VAL 707 HG23 -0.03 -0.02 0.06 -0.04 0.95 0.92 2f3oA1 ILE 708 H -0.09 0.51 -0.17 -0.55 8.25 7.95 2f3oA1 ILE 708 HA -0.24 0.09 0.76 -0.75 4.18 4.03 2f3oA1 ILE 708 HB -0.17 0.29 0.22 -0.04 1.89 2.20 2f3oA1 ILE 708 HG12 -0.60 -0.06 0.01 -0.04 1.49 0.80 2f3oA1 ILE 708 HG13 -0.24 0.04 -0.08 -0.04 1.21 0.89 2f3oA1 ILE 708 HG23 -0.28 -0.04 -0.06 -0.04 0.93 0.51 2f3oA1 ILE 708 HD13 -0.32 -0.00 -0.10 -0.04 0.88 0.41 2f3oA1 GLU 709 H -0.07 0.56 0.06 -0.55 8.60 8.60 2f3oA1 GLU 709 HA -0.02 0.03 0.50 -0.75 4.29 4.06 2f3oA1 GLU 709 HB2 -0.03 0.03 0.04 -0.04 2.09 2.09 2f3oA1 GLU 709 HB3 -0.02 0.09 -0.05 -0.04 1.99 1.97 2f3oA1 GLU 709 HG2 0.01 -0.05 -0.03 -0.04 2.34 2.23 2f3oA1 GLU 709 HG3 -0.01 0.06 -0.10 -0.04 2.34 2.26 2f3oA1 ALA 710 H -0.03 0.39 -0.40 -0.55 8.40 7.82 2f3oA1 ALA 710 HA -0.00 0.01 0.38 -0.75 4.34 3.98 2f3oA1 ALA 710 HB3 -0.02 0.08 0.06 -0.04 1.41 1.50 2f3oA1 LEU 711 H -0.03 0.35 -0.26 -0.55 8.37 7.89 2f3oA1 LEU 711 HA 0.05 0.00 0.39 -0.75 4.35 4.04 2f3oA1 LEU 711 HB2 -0.05 0.15 0.15 -0.04 1.64 1.85 2f3oA1 LEU 711 HB3 0.26 -0.03 -0.02 -0.04 1.64 1.80 2f3oA1 LEU 711 HG -0.03 0.21 0.12 -0.04 1.64 1.90 2f3oA1 LEU 711 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.84 2f3oA1 LEU 711 HD23 0.05 -0.04 -0.07 -0.04 0.89 0.79 2f3oA1 ILE 712 H 0.06 0.53 -0.19 -0.55 8.25 8.09 2f3oA1 ILE 712 HA 0.27 0.04 0.38 -0.75 4.18 4.12 2f3oA1 ILE 712 HB 0.07 0.08 0.16 -0.04 1.89 2.16 2f3oA1 ILE 712 HG12 0.26 -0.02 -0.06 -0.04 1.49 1.62 2f3oA1 ILE 712 HG13 0.11 0.17 -0.01 -0.04 1.21 1.44 2f3oA1 ILE 712 HG23 0.17 -0.02 -0.17 -0.04 0.93 0.87 2f3oA1 ILE 712 HD13 0.01 -0.03 -0.12 -0.04 0.88 0.70 2f3oA1 LYS 713 H 0.05 0.71 -0.08 -0.55 8.42 8.54 2f3oA1 LYS 713 HA 0.06 -0.01 0.33 -0.75 4.32 3.96 2f3oA1 LYS 713 HB2 0.02 0.12 0.10 -0.04 1.87 2.07 2f3oA1 LYS 713 HB3 0.02 -0.04 0.04 -0.04 1.79 1.77 2f3oA1 LYS 713 HG2 0.05 -0.05 -0.01 -0.04 1.46 1.41 2f3oA1 LYS 713 HG3 0.04 0.10 0.04 -0.04 1.46 1.60 2f3oA1 LYS 713 HD2 0.02 0.01 -0.08 -0.04 1.69 1.60 2f3oA1 LYS 713 HD3 0.02 -0.00 -0.02 -0.04 1.68 1.64 2f3oA1 LYS 713 HE2 0.04 0.00 -0.03 -0.04 2.99 2.96 2f3oA1 LYS 713 HE3 0.03 -0.04 -0.05 -0.04 2.99 2.89 2f3oA1 SER 714 H 0.02 0.37 -0.45 -0.55 8.46 7.86 2f3oA1 SER 714 HA -0.02 0.04 0.53 -0.75 4.49 4.29 2f3oA1 SER 714 HB2 0.00 0.14 0.08 -0.04 3.95 4.13 2f3oA1 SER 714 HB3 0.00 0.07 0.11 -0.04 3.93 4.07 2f3oA1 SER 715 H -0.04 0.62 -0.08 -0.55 8.46 8.42 2f3oA1 SER 715 HA -0.19 0.06 0.36 -0.75 4.49 3.96 2f3oA1 SER 715 HB2 -0.23 0.07 -0.01 -0.04 3.95 3.74 2f3oA1 SER 715 HB3 -0.34 -0.05 -0.04 -0.04 3.93 3.45 2f3oA1 MET 716 H -0.21 0.32 -0.43 -0.55 8.47 7.60 2f3oA1 MET 716 HA -0.61 0.07 0.59 -0.75 4.52 3.81 2f3oA1 MET 716 HB2 0.14 0.03 -0.02 -0.04 2.15 2.27 2f3oA1 MET 716 HB3 0.00 0.10 0.07 -0.04 2.03 2.16 2f3oA1 MET 716 HG2 0.04 0.04 -0.27 -0.04 2.63 2.40 2f3oA1 MET 716 HG3 0.14 -0.09 -0.05 -0.04 2.56 2.52 2f3oA1 MET 716 HE3 0.34 0.01 -0.19 -0.04 2.10 2.22 2f3oA1 GLU 717 H -0.08 0.46 -0.11 -0.55 8.60 8.32 2f3oA1 GLU 717 HA -0.03 0.00 0.39 -0.75 4.29 3.90 2f3oA1 GLU 717 HB2 -0.02 0.11 0.19 -0.04 2.09 2.34 2f3oA1 GLU 717 HB3 -0.03 0.05 0.14 -0.04 1.99 2.11 2f3oA1 GLU 717 HG2 -0.01 -0.04 0.01 -0.04 2.34 2.26 2f3oA1 GLU 717 HG3 -0.01 0.02 -0.04 -0.04 2.34 2.26 2f3oA1 LEU 718 H -0.10 0.47 -0.22 -0.55 8.37 7.98 2f3oA1 LEU 718 HA -0.03 0.08 0.51 -0.75 4.35 4.17 2f3oA1 LEU 718 HB2 -0.07 0.01 -0.06 -0.04 1.64 1.48 2f3oA1 LEU 718 HB3 -0.02 0.03 0.03 -0.04 1.64 1.64 2f3oA1 LEU 718 HG -0.03 -0.01 -0.03 -0.04 1.64 1.52 2f3oA1 LEU 718 HD13 -0.03 -0.03 -0.18 -0.04 0.93 0.65 2f3oA1 LEU 718 HD23 -0.01 -0.00 -0.04 -0.04 0.89 0.79 2f3oA1 GLY 719 H -0.14 0.15 -0.69 -0.55 8.43 7.20 2f3oA1 GLY 719 HA2 -0.09 -0.01 0.29 -0.51 4.01 3.70 2f3oA1 GLY 719 HA3 -0.00 0.01 0.27 -0.51 4.01 3.78 2f3oA1 VAL 720 H -0.35 0.47 0.16 -0.55 8.24 7.98 2f3oA1 VAL 720 HA -0.17 0.20 0.80 -0.75 4.13 4.21 2f3oA1 VAL 720 HB -0.16 0.03 -0.04 -0.04 2.12 1.90 2f3oA1 VAL 720 HG13 -0.25 -0.03 -0.28 -0.04 0.97 0.36 2f3oA1 VAL 720 HG23 0.04 -0.02 -0.09 -0.04 0.95 0.85 2f3oA1 MET 721 H -0.93 0.13 0.12 -0.55 8.47 7.24 2f3oA1 MET 721 HA -0.10 0.11 0.78 -0.75 4.52 4.56 2f3oA1 MET 721 HB2 -0.61 0.03 0.03 -0.04 2.15 1.56 2f3oA1 MET 721 HB3 -0.35 -0.03 0.15 -0.04 2.03 1.76 2f3oA1 MET 721 HG2 0.01 0.02 -0.14 -0.04 2.63 2.48 2f3oA1 MET 721 HG3 -0.02 -0.05 -0.04 -0.04 2.56 2.41 2f3oA1 MET 721 HE3 0.06 0.00 -0.10 -0.04 2.10 2.02 2f3oA1 HIS 722 H -0.09 0.13 0.14 -0.55 8.41 8.05 2f3oA1 HIS 722 HA -0.28 0.40 1.08 -0.75 4.63 5.07 2f3oA1 HIS 722 HB2 -0.64 0.04 -0.02 -0.04 3.26 2.60 2f3oA1 HIS 722 HB3 -0.23 0.03 0.12 -0.04 3.20 3.08 2f3oA1 HIS 722 HD2 -1.40 0.00 -0.11 -0.04 6.97 5.42 2f3oA1 HIS 722 HE1 -0.10 -0.06 -0.24 -0.04 7.75 7.31 2f3oA1 VAL 723 H -0.54 0.57 0.34 -0.55 8.24 8.06 2f3oA1 VAL 723 HA -0.45 0.25 0.67 -0.75 4.13 3.84 2f3oA1 VAL 723 HB -0.04 -0.01 -0.15 -0.04 2.12 1.88 2f3oA1 VAL 723 HG13 -0.07 -0.02 -0.14 -0.04 0.97 0.70 2f3oA1 VAL 723 HG23 -0.47 0.00 -0.04 -0.04 0.95 0.40 2f3oA1 GLN 724 H -0.49 0.56 0.34 -0.55 8.47 8.33 2f3oA1 GLN 724 HA -0.35 0.06 0.56 -0.75 4.36 3.88 2f3oA1 GLN 724 HB2 -0.08 0.15 0.10 -0.04 2.15 2.28 2f3oA1 GLN 724 HB3 -0.21 0.00 0.04 -0.04 2.02 1.82 2f3oA1 GLN 724 HG2 -0.11 0.14 -0.12 -0.04 2.40 2.27 2f3oA1 GLN 724 HG3 -0.10 -0.06 -0.15 -0.04 2.39 2.03 2f3oA1 GLN 724 HE21 0.03 -0.46 -0.30 -0.04 6.97 6.20 2f3oA1 GLN 724 HE22 0.01 0.08 -0.38 -0.04 7.69 7.36 2f3oA1 PHE 725 H 0.03 0.20 0.15 -0.55 8.34 8.17 2f3oA1 PHE 725 HA -0.03 0.34 1.14 -0.75 4.62 5.32 2f3oA1 PHE 725 HB2 -0.02 -0.07 0.02 -0.04 3.15 3.04 2f3oA1 PHE 725 HB3 -0.02 0.08 -0.08 -0.04 3.06 3.00 2f3oA1 PHE 725 HD2 -0.03 0.08 -0.06 -0.04 7.28 7.23 2f3oA1 PHE 725 HE2 -0.01 -0.02 -0.13 -0.04 7.38 7.19 2f3oA1 PHE 725 HZ 0.00 -0.03 -0.21 -0.04 7.32 7.04 2f3oA1 ASN 726 H 0.16 0.63 0.39 -0.55 8.53 9.17 2f3oA1 ASN 726 HA 0.06 0.16 0.91 -0.75 4.76 5.13 2f3oA1 ASN 726 HB2 0.03 -0.00 0.10 -0.04 2.88 2.97 2f3oA1 ASN 726 HB3 0.01 0.01 -0.05 -0.04 2.79 2.72 2f3oA1 ASN 726 HD21 -0.05 0.16 0.09 -0.04 7.03 7.20 2f3oA1 ASN 726 HD22 -0.01 0.01 -0.06 -0.04 7.74 7.63 2f3oA1 ILE 727 H 0.03 0.25 0.10 -0.55 8.25 8.09 2f3oA1 ILE 727 HA 0.00 0.29 0.98 -0.75 4.18 4.70 2f3oA1 ILE 727 HB 0.01 -0.01 0.23 -0.04 1.89 2.09 2f3oA1 ILE 727 HG12 0.01 -0.06 -0.13 -0.04 1.49 1.27 2f3oA1 ILE 727 HG13 -0.03 0.08 0.08 -0.04 1.21 1.31 2f3oA1 ILE 727 HG23 -0.01 0.02 -0.05 -0.04 0.93 0.85 2f3oA1 ILE 727 HD13 -0.04 0.03 -0.14 -0.04 0.88 0.69 2f3oA1 LEU 728 H -0.01 0.60 0.24 -0.55 8.37 8.65 2f3oA1 LEU 728 HA -0.05 0.24 1.00 -0.75 4.35 4.79 2f3oA1 LEU 728 HB2 -0.04 -0.01 -0.03 -0.04 1.64 1.52 2f3oA1 LEU 728 HB3 -0.09 -0.00 -0.12 -0.04 1.64 1.38 2f3oA1 LEU 728 HG -0.01 -0.13 -0.46 -0.04 1.64 0.99 2f3oA1 LEU 728 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.75 2f3oA1 LEU 728 HD23 -0.06 0.07 -0.12 -0.04 0.89 0.74 2f3oA1 LYS 729 H -0.07 0.31 0.16 -0.55 8.42 8.26 2f3oA1 LYS 729 HA -0.04 0.03 0.90 -0.75 4.32 4.45 2f3oA1 LYS 729 HB2 -0.03 -0.02 0.20 -0.04 1.87 1.98 2f3oA1 LYS 729 HB3 -0.02 -0.01 0.11 -0.04 1.79 1.83 2f3oA1 LYS 729 HG2 -0.00 -0.05 -0.13 -0.04 1.46 1.24 2f3oA1 LYS 729 HG3 -0.01 0.12 0.04 -0.04 1.46 1.58 2f3oA1 LYS 729 HD2 0.05 0.05 0.02 -0.04 1.69 1.77 2f3oA1 LYS 729 HD3 0.02 -0.05 0.01 -0.04 1.68 1.63 2f3oA1 LYS 729 HE2 0.02 -0.06 -0.04 -0.04 2.99 2.87 2f3oA1 LYS 729 HE3 0.04 0.11 -0.04 -0.04 2.99 3.06 2f3oA1 GLU 730 H -0.05 0.18 0.16 -0.55 8.60 8.34 2f3oA1 GLU 730 HA -0.11 0.14 0.19 -0.75 4.29 3.76 2f3oA1 GLU 730 HB2 -0.04 0.10 0.12 -0.04 2.09 2.22 2f3oA1 GLU 730 HB3 -0.04 -0.06 0.16 -0.04 1.99 2.01 2f3oA1 GLU 730 HG2 -0.05 -0.03 -0.18 -0.04 2.34 2.05 2f3oA1 GLU 730 HG3 -0.05 0.03 0.02 -0.04 2.34 2.30 2f3oA1 ASP 731 H -0.06 0.10 -0.03 -0.55 8.40 7.86 2f3oA1 ASP 731 HA -0.09 0.13 0.62 -0.75 4.63 4.55 2f3oA1 ASP 731 HB2 -0.05 0.06 0.10 -0.04 2.71 2.78 2f3oA1 ASP 731 HB3 -0.04 0.04 0.07 -0.04 2.70 2.73 2f3oA1 LEU 732 H -0.09 0.15 -0.27 -0.55 8.37 7.62 2f3oA1 LEU 732 HA -0.15 0.11 0.68 -0.75 4.35 4.24 2f3oA1 LEU 732 HB2 -0.12 0.17 0.17 -0.04 1.64 1.83 2f3oA1 LEU 732 HB3 -0.09 0.07 0.02 -0.04 1.64 1.60 2f3oA1 LEU 732 HG 0.01 -0.12 0.05 -0.04 1.64 1.54 2f3oA1 LEU 732 HD13 0.10 0.02 0.04 -0.04 0.93 1.04 2f3oA1 LEU 732 HD23 0.15 0.01 0.01 -0.04 0.89 1.01 2f3oA1 LEU 733 H -0.25 0.33 -0.10 -0.55 8.37 7.80 2f3oA1 LEU 733 HA -0.64 0.10 0.42 -0.75 4.35 3.48 2f3oA1 LEU 733 HB2 -0.32 0.15 0.10 -0.04 1.64 1.53 2f3oA1 LEU 733 HB3 -0.94 0.03 -0.02 -0.04 1.64 0.67 2f3oA1 LEU 733 HG -0.34 0.02 -0.01 -0.04 1.64 1.28 2f3oA1 LEU 733 HD13 -0.22 -0.02 -0.15 -0.04 0.93 0.50 2f3oA1 LEU 733 HD23 -0.84 0.02 -0.07 -0.04 0.89 -0.05 2f3oA1 ARG 734 H -0.17 0.33 -0.04 -0.55 8.46 8.03 2f3oA1 ARG 734 HA -0.06 0.10 0.55 -0.75 4.34 4.17 2f3oA1 ARG 734 HB2 -0.09 -0.06 0.20 -0.04 1.90 1.91 2f3oA1 ARG 734 HB3 -0.07 0.03 -0.02 -0.04 1.80 1.70 2f3oA1 ARG 734 HG2 -0.03 -0.04 -0.00 -0.04 1.67 1.56 2f3oA1 ARG 734 HG3 -0.03 0.01 0.04 -0.04 1.67 1.65 2f3oA1 ARG 734 HD2 -0.05 -0.01 -0.06 -0.04 3.22 3.06 2f3oA1 ARG 734 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.07 2f3oA1 LYS 735 H -0.25 0.32 -0.45 -0.55 8.42 7.48 2f3oA1 LYS 735 HA -0.17 0.02 0.40 -0.75 4.32 3.81 2f3oA1 LYS 735 HB2 -0.31 0.18 0.26 -0.04 1.87 1.96 2f3oA1 LYS 735 HB3 -0.93 0.04 0.00 -0.04 1.79 0.87 2f3oA1 LYS 735 HG2 -0.07 -0.01 0.05 -0.04 1.46 1.38 2f3oA1 LYS 735 HG3 -0.10 -0.05 0.10 -0.04 1.46 1.36 2f3oA1 LYS 735 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.59 2f3oA1 LYS 735 HD3 -0.08 0.08 0.04 -0.04 1.68 1.67 2f3oA1 LYS 735 HE2 0.01 0.02 0.01 -0.04 2.99 3.00 2f3oA1 LYS 735 HE3 0.04 -0.03 -0.00 -0.04 2.99 2.96 2f3oA1 ALA 736 H -0.34 0.27 -0.41 -0.55 8.40 7.36 2f3oA1 ALA 736 HA -0.19 0.11 0.38 -0.75 4.34 3.89 2f3oA1 ALA 736 HB3 -0.11 0.04 0.07 -0.04 1.41 1.36 2f3oA1 GLN 737 H -0.02 0.26 -0.42 -0.55 8.47 7.75 2f3oA1 GLN 737 HA 0.07 0.12 0.60 -0.75 4.36 4.40 2f3oA1 GLN 737 HB2 0.02 0.13 0.09 -0.04 2.15 2.35 2f3oA1 GLN 737 HB3 0.03 -0.05 -0.01 -0.04 2.02 1.94 2f3oA1 GLN 737 HG2 0.08 -0.03 -0.00 -0.04 2.40 2.41 2f3oA1 GLN 737 HG3 0.26 0.06 -0.03 -0.04 2.39 2.64 2f3oA1 GLN 737 HE21 0.09 -0.06 -0.09 -0.04 6.97 6.87 2f3oA1 GLN 737 HE22 0.14 -0.01 -0.10 -0.04 7.69 7.69 2f3oA1 GLN 738 H -0.05 0.13 -0.40 -0.55 8.47 7.61 2f3oA1 GLN 738 HA 0.01 0.04 0.33 -0.75 4.36 3.98 2f3oA1 GLN 738 HB2 -0.03 0.05 0.19 -0.04 2.15 2.32 2f3oA1 GLN 738 HB3 0.00 -0.06 0.02 -0.04 2.02 1.95 2f3oA1 GLN 738 HG2 -0.05 0.22 0.10 -0.04 2.40 2.62 2f3oA1 GLN 738 HG3 -0.02 -0.08 0.01 -0.04 2.39 2.25 2f3oA1 GLN 738 HE21 0.00 -0.04 -0.06 -0.04 6.97 6.82 2f3oA1 GLN 738 HE22 -0.02 0.32 0.06 -0.04 7.69 8.02 2f3oA1 GLU 739 H 0.00 0.56 0.05 -0.55 8.60 8.67 2f3oA1 GLU 739 HA 0.07 0.20 0.87 -0.75 4.29 4.68 2f3oA1 GLU 739 HB2 0.26 -0.03 0.21 -0.04 2.09 2.50 2f3oA1 GLU 739 HB3 0.13 -0.06 0.09 -0.04 1.99 2.11 2f3oA1 GLU 739 HG2 0.08 0.01 -0.04 -0.04 2.34 2.35 2f3oA1 GLU 739 HG3 0.06 -0.06 -0.14 -0.04 2.34 2.16 2f3oA1 PRO 740 HA 0.11 0.22 0.42 -0.51 4.44 4.68 2f3oA1 PRO 740 HB2 0.06 -0.00 0.00 -0.04 2.28 2.30 2f3oA1 PRO 740 HB3 0.06 0.20 0.11 -0.04 2.02 2.34 2f3oA1 PRO 740 HG2 0.05 -0.09 0.10 -0.04 2.03 2.05 2f3oA1 PRO 740 HG3 0.04 0.11 0.05 -0.04 2.03 2.19 2f3oA1 PRO 740 HD2 0.06 0.02 0.15 -0.04 3.68 3.86 2f3oA1 PRO 740 HD3 0.05 0.40 -0.39 -0.04 3.65 3.67 2f3oA1 GLU 741 H 0.08 0.16 -0.05 -0.55 8.60 8.23 2f3oA1 GLU 741 HA 0.06 0.15 0.34 -0.75 4.29 4.08 2f3oA1 GLU 741 HB2 0.05 -0.01 -0.03 -0.04 2.09 2.06 2f3oA1 GLU 741 HB3 0.04 0.07 0.11 -0.04 1.99 2.17 2f3oA1 GLU 741 HG2 0.04 0.05 0.04 -0.04 2.34 2.42 2f3oA1 GLU 741 HG3 0.05 0.01 0.05 -0.04 2.34 2.40 2f3oA1 LYS 742 H 0.14 0.12 -0.40 -0.55 8.42 7.72 2f3oA1 LYS 742 HA 0.05 0.10 0.57 -0.75 4.32 4.29 2f3oA1 LYS 742 HB2 0.11 -0.07 0.05 -0.04 1.87 1.92 2f3oA1 LYS 742 HB3 0.18 0.12 -0.00 -0.04 1.79 2.05 2f3oA1 LYS 742 HG2 -0.08 0.01 0.11 -0.04 1.46 1.45 2f3oA1 LYS 742 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 2f3oA1 LYS 742 HD2 0.05 -0.03 0.01 -0.04 1.69 1.68 2f3oA1 LYS 742 HD3 0.13 0.03 -0.00 -0.04 1.68 1.80 2f3oA1 LYS 742 HE2 -0.21 0.01 -0.01 -0.04 2.99 2.74 2f3oA1 LYS 742 HE3 -0.07 0.00 0.02 -0.04 2.99 2.90 2f3oA1 TYR 743 H 0.23 0.31 -0.38 -0.55 8.29 7.90 2f3oA1 TYR 743 HA 0.04 0.13 0.82 -0.75 4.56 4.80 2f3oA1 TYR 743 HB2 -0.03 0.18 0.14 -0.04 3.06 3.31 2f3oA1 TYR 743 HB3 -0.22 -0.08 0.22 -0.04 2.98 2.86 2f3oA1 TYR 743 HD2 -0.05 0.11 -0.02 -0.04 7.15 7.15 2f3oA1 TYR 743 HE2 0.08 -0.06 -0.01 -0.04 6.85 6.82 2f3oA1 ARG 744 H 0.11 0.27 -0.26 -0.55 8.46 8.03 2f3oA1 ARG 744 HA -0.03 0.06 0.62 -0.75 4.34 4.24 2f3oA1 ARG 744 HB2 -0.06 -0.04 0.16 -0.04 1.90 1.92 2f3oA1 ARG 744 HB3 0.02 0.06 0.11 -0.04 1.80 1.95 2f3oA1 ARG 744 HG2 0.04 0.01 -0.00 -0.04 1.67 1.68 2f3oA1 ARG 744 HG3 -0.11 0.02 -0.05 -0.04 1.67 1.49 2f3oA1 ARG 744 HD2 -0.00 -0.06 0.05 -0.04 3.22 3.17 2f3oA1 ARG 744 HD3 0.03 0.04 0.15 -0.04 3.22 3.40 2f3oA1 TRP 745 H -0.16 0.06 -0.43 -0.55 7.97 6.90 2f3oA1 TRP 745 HA -0.18 0.21 0.68 -0.75 4.62 4.58 2f3oA1 TRP 745 HB2 0.01 0.07 0.13 -0.04 3.23 3.40 2f3oA1 TRP 745 HB3 -0.06 0.01 0.03 -0.04 3.23 3.17 2f3oA1 TRP 745 HD1 -0.08 0.01 -0.02 -0.04 7.22 7.10 2f3oA1 TRP 745 HE1 -0.25 0.09 0.12 -0.04 10.20 10.11 2f3oA1 TRP 745 HE3 0.05 0.10 -0.06 -0.04 7.59 7.64 2f3oA1 TRP 745 HZ2 -0.02 -0.05 0.00 -0.04 7.44 7.34 2f3oA1 TRP 745 HZ3 0.04 0.05 0.01 -0.04 7.13 7.18 2f3oA1 TRP 745 HH2 0.03 -0.06 0.00 -0.04 7.19 7.12 2f3oA1 LEU 746 H -0.42 0.21 -0.28 -0.55 8.37 7.34 2f3oA1 LEU 746 HA -0.63 0.08 0.45 -0.75 4.35 3.49 2f3oA1 LEU 746 HB2 -0.62 0.18 0.18 -0.04 1.64 1.34 2f3oA1 LEU 746 HB3 -0.20 -0.12 0.18 -0.04 1.64 1.46 2f3oA1 LEU 746 HG -0.36 0.04 -0.04 -0.04 1.64 1.23 2f3oA1 LEU 746 HD13 -0.94 -0.01 -0.00 -0.04 0.93 -0.06 2f3oA1 LEU 746 HD23 -0.35 -0.03 -0.10 -0.04 0.89 0.37 2f3oA1 LEU 747 H 0.01 0.21 0.27 -0.55 8.37 8.31 2f3oA1 LEU 747 HA 0.09 0.13 0.71 -0.75 4.35 4.53 2f3oA1 LEU 747 HB2 0.14 0.05 0.16 -0.04 1.64 1.94 2f3oA1 LEU 747 HB3 0.05 0.07 -0.12 -0.04 1.64 1.60 2f3oA1 LEU 747 HG 0.20 0.16 -0.14 -0.04 1.64 1.82 2f3oA1 LEU 747 HD13 0.05 0.08 -0.32 -0.04 0.93 0.69 2f3oA1 LEU 747 HD23 -0.17 -0.05 -0.34 -0.04 0.89 0.29 2f3oA1 VAL 748 H -0.02 0.59 0.40 -0.55 8.24 8.66 2f3oA1 VAL 748 HA -0.01 0.11 0.91 -0.75 4.13 4.38 2f3oA1 VAL 748 HB 0.08 -0.02 -0.22 -0.04 2.12 1.92 2f3oA1 VAL 748 HG13 -0.04 0.01 -0.24 -0.04 0.97 0.66 2f3oA1 VAL 748 HG23 0.02 -0.01 -0.03 -0.04 0.95 0.89 2f3oA1 ARG 749 H -0.05 0.13 0.08 -0.55 8.46 8.06 2f3oA1 ARG 749 HA -0.18 0.29 0.80 -0.75 4.34 4.50 2f3oA1 ARG 749 HB2 -0.04 -0.03 -0.07 -0.04 1.90 1.71 2f3oA1 ARG 749 HB3 -0.05 -0.15 -0.20 -0.04 1.80 1.36 2f3oA1 ARG 749 HG2 -0.00 0.09 -0.23 -0.04 1.67 1.48 2f3oA1 ARG 749 HG3 0.01 -0.02 -0.17 -0.04 1.67 1.46 2f3oA1 ARG 749 HD2 -0.03 0.09 -0.31 -0.04 3.22 2.93 2f3oA1 ARG 749 HD3 0.03 -0.01 -0.50 -0.04 3.22 2.71 2f3oA1 VAL 750 H -0.69 0.59 0.18 -0.55 8.24 7.76 2f3oA1 VAL 750 HA -0.30 0.12 0.24 -0.75 4.13 3.44 2f3oA1 VAL 750 HB -2.10 -0.12 0.02 -0.04 2.12 -0.12 2f3oA1 VAL 750 HG13 -0.28 0.02 -0.20 -0.04 0.97 0.48 2f3oA1 VAL 750 HG23 -0.69 0.06 -0.10 -0.04 0.95 0.18 2f3oA1 ALA 751 H -0.38 -0.29 0.08 -0.55 8.40 7.25 2f3oA1 ALA 751 HA 0.05 0.13 0.35 -0.75 4.34 4.11 2f3oA1 ALA 751 HB3 0.23 0.04 -0.07 -0.04 1.41 1.57 2f3oA1 GLY 752 H 0.07 -0.18 0.09 -0.55 8.43 7.87 2f3oA1 GLY 752 HA2 0.19 0.08 0.09 -0.51 4.01 3.87 2f3oA1 GLY 752 HA3 0.29 0.08 0.60 -0.51 4.01 4.47 2f3oA1 TRP 753 H 0.08 -0.21 0.18 -0.55 7.97 7.47 2f3oA1 TRP 753 HA 0.07 0.22 0.62 -0.75 4.62 4.77 2f3oA1 TRP 753 HB2 0.03 0.11 0.05 -0.04 3.23 3.38 2f3oA1 TRP 753 HB3 0.06 0.00 -0.38 -0.04 3.23 2.87 2f3oA1 TRP 753 HD1 0.01 0.30 -0.24 -0.04 7.22 7.25 2f3oA1 TRP 753 HE1 0.07 0.27 -0.36 -0.04 10.20 10.13 2f3oA1 TRP 753 HE3 0.06 -0.17 -0.36 -0.04 7.59 7.08 2f3oA1 TRP 753 HZ2 0.10 0.54 -0.19 -0.04 7.44 7.84 2f3oA1 TRP 753 HZ3 0.09 0.03 -0.26 -0.04 7.13 6.95 2f3oA1 TRP 753 HH2 0.07 -0.03 -0.53 -0.04 7.19 6.65 2f3oA1 SER 754 H 0.16 0.22 0.18 -0.55 8.46 8.47 2f3oA1 SER 754 HA -0.16 0.29 0.98 -0.75 4.49 4.84 2f3oA1 SER 754 HB2 0.01 0.17 0.25 -0.04 3.95 4.34 2f3oA1 SER 754 HB3 -0.08 0.01 0.00 -0.04 3.93 3.83 2f3oA1 ALA 755 H -0.24 0.48 0.37 -0.55 8.40 8.46 2f3oA1 ALA 755 HA -0.11 0.26 0.86 -0.75 4.34 4.60 2f3oA1 ALA 755 HB3 -0.11 -0.01 -0.04 -0.04 1.41 1.21 2f3oA1 TYR 756 H -0.09 0.17 0.10 -0.55 8.29 7.92 2f3oA1 TYR 756 HA 0.03 0.28 0.66 -0.75 4.56 4.78 2f3oA1 TYR 756 HB2 0.05 -0.11 0.20 -0.04 3.06 3.16 2f3oA1 TYR 756 HB3 0.05 0.02 0.07 -0.04 2.98 3.08 2f3oA1 TYR 756 HD2 0.06 -0.02 -0.11 -0.04 7.15 7.03 2f3oA1 TYR 756 HE2 0.10 0.12 0.05 -0.04 6.85 7.08 2f3oA1 PHE 757 H 0.23 0.79 0.30 -0.55 8.34 9.11 2f3oA1 PHE 757 HA -0.02 -0.02 0.17 -0.75 4.62 3.99 2f3oA1 PHE 757 HB2 -0.07 0.05 0.04 -0.04 3.15 3.13 2f3oA1 PHE 757 HB3 -0.07 0.03 0.09 -0.04 3.06 3.07 2f3oA1 PHE 757 HD2 -0.06 0.03 -0.17 -0.04 7.28 7.03 2f3oA1 PHE 757 HE2 -0.05 0.03 -0.08 -0.04 7.38 7.24 2f3oA1 PHE 757 HZ -0.04 -0.02 -0.10 -0.04 7.32 7.11 2f3oA1 VAL 758 H 0.16 0.12 -0.30 -0.55 8.24 7.67 2f3oA1 VAL 758 HA 0.02 0.09 0.40 -0.75 4.13 3.89 2f3oA1 VAL 758 HB 0.08 -0.02 0.04 -0.04 2.12 2.18 2f3oA1 VAL 758 HG13 0.05 -0.00 -0.08 -0.04 0.97 0.89 2f3oA1 VAL 758 HG23 0.10 0.07 0.00 -0.04 0.95 1.08 2f3oA1 GLU 759 H 0.07 0.64 -0.21 -0.55 8.60 8.55 2f3oA1 GLU 759 HA 0.04 0.12 0.66 -0.75 4.29 4.36 2f3oA1 GLU 759 HB2 0.12 0.07 0.08 -0.04 2.09 2.32 2f3oA1 GLU 759 HB3 0.11 -0.16 0.19 -0.04 1.99 2.09 2f3oA1 GLU 759 HG2 0.16 -0.02 0.01 -0.04 2.34 2.46 2f3oA1 GLU 759 HG3 0.22 0.04 0.07 -0.04 2.34 2.62 2f3oA1 LEU 760 H -0.16 0.48 -0.37 -0.55 8.37 7.78 2f3oA1 LEU 760 HA -0.01 -0.05 0.70 -0.75 4.35 4.24 2f3oA1 LEU 760 HB2 -0.41 0.20 0.01 -0.04 1.64 1.40 2f3oA1 LEU 760 HB3 -0.16 -0.13 -0.11 -0.04 1.64 1.19 2f3oA1 LEU 760 HG -0.11 0.04 -0.26 -0.04 1.64 1.27 2f3oA1 LEU 760 HD13 -0.20 0.00 -0.16 -0.04 0.93 0.53 2f3oA1 LEU 760 HD23 -0.05 -0.03 -0.27 -0.04 0.89 0.49 2f3oA1 SER 761 H -0.01 0.04 0.11 -0.55 8.46 8.06 2f3oA1 SER 761 HA -0.01 0.17 0.35 -0.75 4.49 4.24 2f3oA1 SER 761 HB2 0.03 -0.01 0.14 -0.04 3.95 4.08 2f3oA1 SER 761 HB3 0.04 0.12 0.12 -0.04 3.93 4.17 2f3oA1 ARG 762 H -0.01 0.16 0.15 -0.55 8.46 8.21 2f3oA1 ARG 762 HA -0.04 0.12 0.41 -0.75 4.34 4.08 2f3oA1 ARG 762 HB2 0.00 0.04 0.08 -0.04 1.90 1.98 2f3oA1 ARG 762 HB3 0.00 0.01 0.04 -0.04 1.80 1.81 2f3oA1 ARG 762 HG2 -0.01 -0.03 0.13 -0.04 1.67 1.72 2f3oA1 ARG 762 HG3 -0.00 0.01 0.07 -0.04 1.67 1.71 2f3oA1 ARG 762 HD2 0.00 -0.01 0.02 -0.04 3.22 3.19 2f3oA1 ARG 762 HD3 -0.00 0.02 0.03 -0.04 3.22 3.23 2f3oA1 PRO 763 HA 0.03 0.11 0.52 -0.51 4.44 4.58 2f3oA1 PRO 763 HB2 0.07 0.01 -0.01 -0.04 2.28 2.31 2f3oA1 PRO 763 HB3 0.12 0.10 0.06 -0.04 2.02 2.26 2f3oA1 PRO 763 HG2 0.29 0.09 0.04 -0.04 2.03 2.41 2f3oA1 PRO 763 HG3 0.11 0.08 0.04 -0.04 2.03 2.22 2f3oA1 PRO 763 HD2 0.07 0.02 0.03 -0.04 3.68 3.76 2f3oA1 PRO 763 HD3 0.03 0.09 0.14 -0.04 3.65 3.87 2f3oA1 VAL 764 H -0.02 0.10 -0.43 -0.55 8.24 7.34 2f3oA1 VAL 764 HA -0.04 0.07 0.36 -0.75 4.13 3.77 2f3oA1 VAL 764 HB -0.05 0.00 0.04 -0.04 2.12 2.07 2f3oA1 VAL 764 HG13 -0.06 0.02 -0.13 -0.04 0.97 0.76 2f3oA1 VAL 764 HG23 -0.03 -0.01 0.01 -0.04 0.95 0.87 2f3oA1 GLN 765 H -0.11 0.79 -0.09 -0.55 8.47 8.51 2f3oA1 GLN 765 HA -0.19 0.01 0.37 -0.75 4.36 3.80 2f3oA1 GLN 765 HB2 -0.11 0.05 0.09 -0.04 2.15 2.14 2f3oA1 GLN 765 HB3 -0.04 -0.06 -0.09 -0.04 2.02 1.79 2f3oA1 GLN 765 HG2 -1.43 -0.04 -0.02 -0.04 2.40 0.87 2f3oA1 GLN 765 HG3 -0.41 0.14 -0.21 -0.04 2.39 1.87 2f3oA1 GLN 765 HE21 -0.16 -0.05 -0.04 -0.04 6.97 6.69 2f3oA1 GLN 765 HE22 -0.62 0.36 0.06 -0.04 7.69 7.46 2f3oA1 GLU 766 H -0.00 0.56 -0.22 -0.55 8.60 8.39 2f3oA1 GLU 766 HA 0.05 -0.01 0.35 -0.75 4.29 3.93 2f3oA1 GLU 766 HB2 0.02 0.14 0.11 -0.04 2.09 2.33 2f3oA1 GLU 766 HB3 0.02 0.09 0.05 -0.04 1.99 2.10 2f3oA1 GLU 766 HG2 0.02 -0.00 -0.01 -0.04 2.34 2.30 2f3oA1 GLU 766 HG3 0.02 -0.03 -0.01 -0.04 2.34 2.28 2f3oA1 GLU 767 H 0.00 0.34 -0.40 -0.55 8.60 8.00 2f3oA1 GLU 767 HA 0.01 0.01 0.50 -0.75 4.29 4.06 2f3oA1 GLU 767 HB2 -0.02 0.19 0.20 -0.04 2.09 2.43 2f3oA1 GLU 767 HB3 -0.01 -0.03 -0.04 -0.04 1.99 1.87 2f3oA1 GLU 767 HG2 -0.00 -0.03 0.01 -0.04 2.34 2.28 2f3oA1 GLU 767 HG3 -0.03 -0.02 0.00 -0.04 2.34 2.26 2f3oA1 VAL 768 H 0.03 0.47 -0.05 -0.55 8.24 8.14 2f3oA1 VAL 768 HA 0.02 0.05 0.45 -0.75 4.13 3.90 2f3oA1 VAL 768 HB 0.02 0.02 0.04 -0.04 2.12 2.16 2f3oA1 VAL 768 HG13 0.09 0.08 0.06 -0.04 0.97 1.16 2f3oA1 VAL 768 HG23 0.14 -0.02 -0.17 -0.04 0.95 0.85 2f3oA1 ILE 769 H 0.09 0.47 -0.29 -0.55 8.25 7.97 2f3oA1 ILE 769 HA 0.00 -0.01 0.44 -0.75 4.18 3.86 2f3oA1 ILE 769 HB 0.06 0.12 0.11 -0.04 1.89 2.14 2f3oA1 ILE 769 HG12 -0.06 -0.10 -0.02 -0.04 1.49 1.26 2f3oA1 ILE 769 HG13 0.08 0.03 -0.06 -0.04 1.21 1.21 2f3oA1 ILE 769 HG23 -0.00 -0.03 -0.12 -0.04 0.93 0.74 2f3oA1 ILE 769 HD13 0.09 -0.00 -0.17 -0.04 0.88 0.76 2f3oA1 ARG 770 H 0.02 0.54 -0.08 -0.55 8.46 8.40 2f3oA1 ARG 770 HA 0.00 0.02 0.36 -0.75 4.34 3.97 2f3oA1 ARG 770 HB2 0.01 0.10 0.13 -0.04 1.90 2.10 2f3oA1 ARG 770 HB3 0.01 -0.07 0.05 -0.04 1.80 1.74 2f3oA1 ARG 770 HG2 0.01 -0.07 0.03 -0.04 1.67 1.59 2f3oA1 ARG 770 HG3 0.01 0.12 0.09 -0.04 1.67 1.85 2f3oA1 ARG 770 HD2 0.01 0.00 -0.04 -0.04 3.22 3.15 2f3oA1 ARG 770 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 2f3oA1 ARG 771 H 0.01 0.32 -0.56 -0.55 8.46 7.68 2f3oA1 ARG 771 HA 0.00 0.04 0.71 -0.75 4.34 4.35 2f3oA1 ARG 771 HB2 0.01 0.09 0.06 -0.04 1.90 2.01 2f3oA1 ARG 771 HB3 0.00 -0.09 0.15 -0.04 1.80 1.83 2f3oA1 ARG 771 HG2 0.01 -0.15 -0.02 -0.04 1.67 1.47 2f3oA1 ARG 771 HG3 0.01 0.19 -0.01 -0.04 1.67 1.81 2f3oA1 ARG 771 HD2 0.00 -0.07 -0.04 -0.04 3.22 3.07 2f3oA1 ARG 771 HD3 0.00 0.03 -0.11 -0.04 3.22 3.11 2f3oA1 ILE 772 H -0.00 0.34 -0.33 -0.55 8.25 7.71 2f3oA1 ILE 772 HA 0.00 -0.01 0.38 -0.75 4.18 3.79 2f3oA1 ILE 772 HB -0.01 0.06 0.13 -0.04 1.89 2.03 2f3oA1 ILE 772 HG12 -0.02 -0.08 -0.09 -0.04 1.49 1.26 2f3oA1 ILE 772 HG13 -0.01 0.29 0.09 -0.04 1.21 1.54 2f3oA1 ILE 772 HG23 -0.01 -0.05 -0.23 -0.04 0.93 0.59 2f3oA1 ILE 772 HD13 -0.04 -0.03 -0.03 -0.04 0.88 0.74 2f3oA1 SER 773 H 0.01 0.59 0.35 -0.55 8.46 8.87 2f3oA1 SER 773 HA -0.00 0.12 0.76 -0.75 4.49 4.60 2f3oA1 SER 773 HB2 0.00 0.09 0.11 -0.04 3.95 4.11 2f3oA1 SER 773 HB3 0.01 0.16 0.27 -0.04 3.93 4.33 2f3oA1 CYS 774 H -0.01 0.06 0.26 -0.55 8.50 8.26 2f3oA1 CYS 774 HA -0.01 0.14 0.99 -0.75 4.58 4.95 2f3oA1 CYS 774 HB2 -0.01 0.02 0.12 -0.04 2.97 3.05 2f3oA1 CYS 774 HB3 -0.01 -0.02 0.04 -0.04 2.97 2.94 2f3oA1 ARG 775 H -0.01 0.04 0.20 -0.55 8.46 8.15 2f3oA1 ARG 775 HA -0.01 0.09 0.57 -0.75 4.34 4.24 2f3oA1 ARG 775 HB2 -0.01 0.01 0.11 -0.04 1.90 1.98 2f3oA1 ARG 775 HB3 -0.01 -0.14 0.13 -0.04 1.80 1.74 2f3oA1 ARG 775 HG2 -0.01 -0.05 0.12 -0.04 1.67 1.69 2f3oA1 ARG 775 HG3 -0.01 0.38 0.15 -0.04 1.67 2.14 2f3oA1 ARG 775 HD2 -0.01 -0.07 0.11 -0.04 3.22 3.21 2f3oA1 ARG 775 HD3 -0.01 -0.03 0.08 -0.04 3.22 3.22 2f3oA1 ILE 776 H -0.01 0.11 0.14 -0.55 8.25 7.95 2f3oA1 ILE 776 HA -0.01 0.13 0.22 -0.75 4.18 3.76 2f3oA1 ILE 776 HB -0.00 -0.18 0.13 -0.04 1.89 1.80 2f3oA1 ILE 776 HG12 -0.01 0.14 0.02 -0.04 1.49 1.60 2f3oA1 ILE 776 HG13 -0.01 -0.14 -0.34 -0.04 1.21 0.68 2f3oA1 ILE 776 HG23 -0.01 0.05 0.04 -0.04 0.93 0.97 2f3oA1 ILE 776 HD13 -0.01 -0.04 -0.12 -0.04 0.88 0.67