============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 96 rings ring int. center anis. iso. TYR 16 0.840 100.640 71.388 96.885 -99.200 -91.000 HIS 18 0.900 99.910 67.817 99.903 -99.200 -91.000 TYR 26 0.840 103.594 67.470 106.636 -99.200 -91.000 TYR 42 0.840 114.895 59.551 124.839 -99.200 -91.000 TYR 58 0.840 116.840 60.606 106.971 -99.200 -91.000 TYR 78 0.840 108.298 44.432 117.659 -99.200 -91.000 PHE 85 1.000 114.321 47.422 103.664 -99.200 -91.000 HIS 87 0.900 112.737 40.259 108.309 -99.200 -91.000 HIS 107 0.900 115.708 34.516 88.785 -99.200 -91.000 TYR 118 0.840 106.712 40.939 86.041 -99.200 -91.000 PHE 125 1.000 107.551 56.724 93.023 -99.200 -91.000 TRP 133 1.040 110.082 64.008 93.618 -99.200 -91.000 TRP6 133 1.020 111.163 62.324 92.434 -99.200 -91.000 HIS 134 0.900 113.784 66.295 102.905 -99.200 -91.000 TYR 135 0.840 111.857 61.618 104.250 -99.200 -91.000 PHE 140 1.000 117.517 56.512 95.301 -99.200 -91.000 PHE 149 1.000 104.869 54.888 85.075 -99.200 -91.000 PHE 159 1.000 89.043 56.464 76.154 -99.200 -91.000 PHE 161 1.000 82.466 54.523 77.513 -99.200 -91.000 TYR 168 0.840 95.334 59.929 74.837 -99.200 -91.000 TRP 176 1.040 94.198 64.053 71.729 -99.200 -91.000 TRP6 176 1.020 92.468 62.803 72.738 -99.200 -91.000 TYR 206 0.840 81.315 70.743 91.956 -99.200 -91.000 TYR 237 0.840 88.157 81.710 102.337 -99.200 -91.000 TRP 238 1.040 90.641 71.388 102.556 -99.200 -91.000 TRP6 238 1.020 90.166 70.945 100.285 -99.200 -91.000 PHE 241 1.000 85.880 71.755 97.690 -99.200 -91.000 TYR 245 0.840 81.123 71.674 96.983 -99.200 -91.000 PHE 262 1.000 73.352 67.112 75.979 -99.200 -91.000 TYR 282 0.840 79.045 57.576 74.320 -99.200 -91.000 TYR 283 0.840 79.191 63.972 75.546 -99.200 -91.000 PHE 287 1.000 86.770 62.807 83.210 -99.200 -91.000 PHE 290 1.000 91.340 60.689 78.029 -99.200 -91.000 PHE 292 1.000 90.052 63.601 86.887 -99.200 -91.000 PHE 297 1.000 91.634 59.034 89.152 -99.200 -91.000 TYR 301 0.840 83.075 58.571 87.519 -99.200 -91.000 TRP 314 1.040 100.777 66.677 95.482 -99.200 -91.000 TRP6 314 1.020 100.743 64.332 95.663 -99.200 -91.000 TYR 316 0.840 96.580 62.235 89.671 -99.200 -91.000 TYR 320 0.840 109.247 63.993 86.318 -99.200 -91.000 PHE 330 1.000 112.564 56.979 98.253 -99.200 -91.000 PHE 335 1.000 117.658 49.327 107.956 -99.200 -91.000 HIS 360 0.900 99.724 53.951 126.580 -99.200 -91.000 TYR 373 0.840 101.359 35.571 119.075 -99.200 -91.000 HIS 376 0.900 109.870 28.748 113.041 -99.200 -91.000 HIS 380 0.900 109.535 36.262 121.005 -99.200 -91.000 TYR 384 0.840 109.675 48.212 122.523 -99.200 -91.000 PHE 386 1.000 108.806 58.516 124.125 -99.200 -91.000 HIS 393 0.900 92.473 51.511 106.423 -99.200 -91.000 PHE 405 1.000 86.932 50.636 122.564 -99.200 -91.000 HIS 407 0.900 92.326 50.392 135.540 -99.200 -91.000 HIS 423 0.900 102.866 39.413 128.842 -99.200 -91.000 TYR 425 0.840 100.766 42.946 127.944 -99.200 -91.000 TYR 429 0.840 94.862 53.403 132.180 -99.200 -91.000 HIS 453 0.900 87.137 52.054 100.080 -99.200 -91.000 PHE 461 1.000 103.635 44.278 86.755 -99.200 -91.000 TRP 473 1.040 100.720 42.050 64.797 -99.200 -91.000 TRP6 473 1.020 101.002 42.150 67.111 -99.200 -91.000 TRP 477 1.040 100.939 60.320 68.457 -99.200 -91.000 TRP6 477 1.020 102.812 61.711 69.030 -99.200 -91.000 TYR 495 0.840 100.068 52.017 82.610 -99.200 -91.000 TYR 506 0.840 113.575 39.384 77.643 -99.200 -91.000 TYR 513 0.840 97.572 50.174 89.142 -99.200 -91.000 TRP 515 1.040 93.601 52.003 90.951 -99.200 -91.000 TRP6 515 1.020 93.696 53.651 89.310 -99.200 -91.000 HIS 524 0.900 85.771 35.556 87.628 -99.200 -91.000 PHE 526 1.000 93.200 38.762 90.205 -99.200 -91.000 TYR 529 0.840 92.512 34.309 94.677 -99.200 -91.000 TYR 544 0.840 99.356 37.369 80.055 -99.200 -91.000 TYR 552 0.840 89.205 36.483 69.758 -99.200 -91.000 TYR 554 0.840 86.037 40.038 65.561 -99.200 -91.000 TYR 557 0.840 91.262 50.282 65.723 -99.200 -91.000 TRP 566 1.040 92.154 46.413 71.069 -99.200 -91.000 TRP6 566 1.020 91.971 46.344 73.414 -99.200 -91.000 TRP 567 1.040 96.188 47.510 68.678 -99.200 -91.000 TRP6 567 1.020 97.997 47.687 70.147 -99.200 -91.000 PHE 568 1.000 97.027 45.744 75.193 -99.200 -91.000 TYR 569 0.840 93.762 37.346 70.812 -99.200 -91.000 PHE 581 1.000 103.544 39.094 90.102 -99.200 -91.000 PHE 583 1.000 100.804 40.796 96.046 -99.200 -91.000 TRP 585 1.040 99.150 45.410 95.897 -99.200 -91.000 TRP6 585 1.020 100.874 45.154 97.476 -99.200 -91.000 PHE 594 1.000 95.850 53.133 96.131 -99.200 -91.000 HIS 602 0.900 88.225 66.128 106.300 -99.200 -91.000 HIS 603 0.900 83.216 64.448 108.679 -99.200 -91.000 PHE 609 1.000 97.268 65.429 108.227 -99.200 -91.000 TYR 611 0.840 96.962 58.816 117.968 -99.200 -91.000 HIS 612 0.900 100.329 64.768 114.227 -99.200 -91.000 HIS 614 0.900 99.298 61.165 121.531 -99.200 -91.000 PHE 624 1.000 101.418 52.128 122.279 -99.200 -91.000 PHE 625 1.000 103.430 60.092 119.455 -99.200 -91.000 TYR 631 0.840 97.075 55.103 110.363 -99.200 -91.000 HIS 633 0.900 93.176 64.388 105.323 -99.200 -91.000 TRP 637 1.040 99.024 59.761 96.052 -99.200 -91.000 TRP6 637 1.020 99.729 59.415 93.850 -99.200 -91.000 PHE 642 1.000 108.583 58.719 102.083 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yr5A1 LYS 16 HA 0.00 -0.07 0.15 -0.75 4.32 3.65 2yr5A1 LYS 16 HB2 -0.01 -0.00 0.12 -0.04 1.87 1.94 2yr5A1 LYS 16 HB3 -0.01 -0.01 0.00 -0.04 1.79 1.73 2yr5A1 LYS 16 HG2 -0.00 -0.02 0.01 -0.04 1.46 1.41 2yr5A1 LYS 16 HG3 0.00 -0.01 0.02 -0.04 1.46 1.43 2yr5A1 LYS 16 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 2yr5A1 LYS 16 HD3 -0.01 0.00 -0.00 -0.04 1.68 1.63 2yr5A1 LYS 16 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 2yr5A1 LYS 16 HE3 -0.00 0.01 -0.00 -0.04 2.99 2.95 2yr5A1 ILE 17 H 0.01 0.08 0.06 -0.55 8.25 7.85 2yr5A1 ILE 17 HA 0.10 0.08 0.36 -0.75 4.18 3.97 2yr5A1 ILE 17 HB 0.03 -0.05 0.11 -0.04 1.89 1.94 2yr5A1 ILE 17 HG12 0.03 0.02 -0.02 -0.04 1.49 1.48 2yr5A1 ILE 17 HG13 0.02 0.02 -0.03 -0.04 1.21 1.18 2yr5A1 ILE 17 HG23 0.13 0.04 -0.12 -0.04 0.93 0.94 2yr5A1 ILE 17 HD13 0.01 -0.01 0.01 -0.04 0.88 0.86 2yr5A1 ALA 18 H 0.05 0.15 0.14 -0.55 8.40 8.19 2yr5A1 ALA 18 HA -0.15 0.04 0.56 -0.75 4.34 4.03 2yr5A1 ALA 18 HB3 -0.57 0.00 -0.02 -0.04 1.41 0.78 2yr5A1 THR 19 H -0.15 0.01 0.20 -0.55 8.28 7.79 2yr5A1 THR 19 HA -0.05 0.35 0.96 -0.75 4.39 4.90 2yr5A1 THR 19 HB -0.03 0.02 0.14 -0.04 4.32 4.40 2yr5A1 THR 19 HG23 -0.02 0.05 -0.15 -0.04 1.22 1.06 2yr5A1 THR 20 H -0.21 0.01 0.17 -0.55 8.28 7.70 2yr5A1 THR 20 HA -0.11 0.37 0.93 -0.75 4.39 4.83 2yr5A1 THR 20 HB -0.07 0.25 0.07 -0.04 4.32 4.53 2yr5A1 THR 20 HG23 -0.06 0.01 -0.21 -0.04 1.22 0.92 2yr5A1 VAL 21 H -0.08 0.77 0.13 -0.55 8.24 8.52 2yr5A1 VAL 21 HA -0.23 0.02 0.38 -0.75 4.13 3.54 2yr5A1 VAL 21 HB 0.03 0.09 0.10 -0.04 2.12 2.30 2yr5A1 VAL 21 HG13 0.20 -0.02 -0.38 -0.04 0.97 0.73 2yr5A1 VAL 21 HG23 0.16 0.05 -0.11 -0.04 0.95 1.00 2yr5A1 GLY 22 H -0.07 0.72 0.06 -0.55 8.43 8.61 2yr5A1 GLY 22 HA2 -0.03 0.06 0.42 -0.51 4.01 3.95 2yr5A1 GLY 22 HA3 -0.05 0.04 0.28 -0.51 4.01 3.77 2yr5A1 GLU 23 H -0.16 0.11 -0.24 -0.55 8.60 7.76 2yr5A1 GLU 23 HA -0.13 0.08 0.52 -0.75 4.29 4.00 2yr5A1 GLU 23 HB2 -0.23 -0.10 0.18 -0.04 2.09 1.89 2yr5A1 GLU 23 HB3 -0.17 0.07 0.03 -0.04 1.99 1.88 2yr5A1 GLU 23 HG2 -0.09 0.07 0.02 -0.04 2.34 2.30 2yr5A1 GLU 23 HG3 -0.10 -0.03 0.03 -0.04 2.34 2.20 2yr5A1 ALA 24 H -0.50 0.49 -0.11 -0.55 8.40 7.72 2yr5A1 ALA 24 HA -0.54 0.05 0.49 -0.75 4.34 3.58 2yr5A1 ALA 24 HB3 -1.68 0.03 0.04 -0.04 1.41 -0.24 2yr5A1 ARG 25 H -0.21 0.60 -0.14 -0.55 8.46 8.17 2yr5A1 ARG 25 HA 0.18 -0.04 0.24 -0.75 4.34 3.96 2yr5A1 ARG 25 HB2 0.12 0.08 -0.04 -0.04 1.90 2.03 2yr5A1 ARG 25 HB3 0.02 0.06 0.10 -0.04 1.80 1.93 2yr5A1 ARG 25 HG2 0.10 0.01 -0.27 -0.04 1.67 1.47 2yr5A1 ARG 25 HG3 0.19 -0.06 -0.25 -0.04 1.67 1.51 2yr5A1 ARG 25 HD2 0.12 0.01 -0.07 -0.04 3.22 3.24 2yr5A1 ARG 25 HD3 0.08 0.06 -0.12 -0.04 3.22 3.19 2yr5A1 LEU 26 H -0.07 0.56 -0.20 -0.55 8.37 8.12 2yr5A1 LEU 26 HA 0.01 0.01 0.45 -0.75 4.35 4.07 2yr5A1 LEU 26 HB2 -0.05 0.07 0.08 -0.04 1.64 1.70 2yr5A1 LEU 26 HB3 -0.02 -0.04 0.03 -0.04 1.64 1.57 2yr5A1 LEU 26 HG -0.02 0.13 0.05 -0.04 1.64 1.76 2yr5A1 LEU 26 HD13 -0.02 -0.03 -0.04 -0.04 0.93 0.80 2yr5A1 LEU 26 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.80 2yr5A1 SER 27 H -0.10 0.40 -0.33 -0.55 8.46 7.88 2yr5A1 SER 27 HA -0.03 -0.00 0.43 -0.75 4.49 4.13 2yr5A1 SER 27 HB2 -0.13 0.01 0.12 -0.04 3.95 3.91 2yr5A1 SER 27 HB3 -0.13 0.21 0.11 -0.04 3.93 4.07 2yr5A1 GLY 28 H 0.04 0.40 -0.26 -0.55 8.43 8.06 2yr5A1 GLY 28 HA2 0.11 0.17 0.75 -0.51 4.01 4.53 2yr5A1 GLY 28 HA3 0.15 -0.04 0.27 -0.51 4.01 3.88 2yr5A1 ILE 29 H 0.07 0.37 -0.30 -0.55 8.25 7.83 2yr5A1 ILE 29 HA 0.11 -0.04 0.25 -0.75 4.18 3.74 2yr5A1 ILE 29 HB 0.06 0.13 0.11 -0.04 1.89 2.14 2yr5A1 ILE 29 HG12 0.04 -0.02 -0.11 -0.04 1.49 1.36 2yr5A1 ILE 29 HG13 0.06 -0.06 -0.04 -0.04 1.21 1.13 2yr5A1 ILE 29 HG23 0.03 0.06 -0.06 -0.04 0.93 0.92 2yr5A1 ILE 29 HD13 0.04 -0.01 -0.08 -0.04 0.88 0.79 2yr5A1 ASN 30 H 0.08 0.15 -0.32 -0.55 8.53 7.89 2yr5A1 ASN 30 HA 0.05 0.11 0.86 -0.75 4.76 5.02 2yr5A1 ASN 30 HB2 0.05 0.08 -0.15 -0.04 2.88 2.82 2yr5A1 ASN 30 HB3 0.02 0.21 -0.11 -0.04 2.79 2.87 2yr5A1 ASN 30 HD21 0.02 -0.08 -0.11 -0.04 7.03 6.82 2yr5A1 ASN 30 HD22 0.02 0.05 -0.02 -0.04 7.74 7.75 2yr5A1 TYR 31 H 0.21 0.27 -0.20 -0.55 8.29 8.02 2yr5A1 TYR 31 HA -0.01 0.24 0.29 -0.75 4.56 4.32 2yr5A1 TYR 31 HB2 0.06 -0.00 0.13 -0.04 3.06 3.21 2yr5A1 TYR 31 HB3 0.12 -0.03 0.18 -0.04 2.98 3.20 2yr5A1 TYR 31 HD2 -0.19 -0.07 -0.21 -0.04 7.15 6.63 2yr5A1 TYR 31 HE2 -0.86 -0.06 -0.15 -0.04 6.85 5.73 2yr5A1 ARG 32 H -0.69 0.53 0.26 -0.55 8.46 8.00 2yr5A1 ARG 32 HA -0.09 0.06 0.91 -0.75 4.34 4.46 2yr5A1 ARG 32 HB2 -0.26 -0.07 0.16 -0.04 1.90 1.69 2yr5A1 ARG 32 HB3 -0.10 0.02 -0.00 -0.04 1.80 1.67 2yr5A1 ARG 32 HG2 -0.02 -0.10 -0.59 -0.04 1.67 0.91 2yr5A1 ARG 32 HG3 -0.11 0.32 -0.03 -0.04 1.67 1.81 2yr5A1 ARG 32 HD2 -0.09 -0.05 0.02 -0.04 3.22 3.06 2yr5A1 ARG 32 HD3 -0.04 0.07 -0.23 -0.04 3.22 2.97 2yr5A1 HIS 33 H 0.03 0.13 0.11 -0.55 8.41 8.13 2yr5A1 HIS 33 HA -0.25 0.19 0.62 -0.75 4.63 4.44 2yr5A1 HIS 33 HB2 -0.17 -0.01 0.07 -0.04 3.26 3.11 2yr5A1 HIS 33 HB3 -0.26 -0.07 0.04 -0.04 3.20 2.86 2yr5A1 HIS 33 HD2 -0.44 0.02 -0.00 -0.04 6.97 6.50 2yr5A1 HIS 33 HE1 -0.22 -0.03 -0.04 -0.04 7.75 7.41 2yr5A1 PRO 34 HA -0.42 0.16 0.15 -0.51 4.44 3.82 2yr5A1 PRO 34 HB2 -2.67 0.01 -0.01 -0.04 2.28 -0.43 2yr5A1 PRO 34 HB3 -1.07 0.07 0.06 -0.04 2.02 1.03 2yr5A1 PRO 34 HG2 -1.00 -0.03 0.06 -0.04 2.03 1.02 2yr5A1 PRO 34 HG3 -1.30 0.06 0.04 -0.04 2.03 0.80 2yr5A1 PRO 34 HD2 -0.26 0.06 0.21 -0.04 3.68 3.65 2yr5A1 PRO 34 HD3 -0.43 0.25 0.19 -0.04 3.65 3.62 2yr5A1 ASP 35 H -0.23 0.06 -0.24 -0.55 8.40 7.44 2yr5A1 ASP 35 HA 0.17 0.20 0.71 -0.75 4.63 4.96 2yr5A1 ASP 35 HB2 -0.13 -0.05 -0.03 -0.04 2.71 2.46 2yr5A1 ASP 35 HB3 0.13 0.06 0.09 -0.04 2.70 2.94 2yr5A1 SER 36 H 0.03 0.39 -0.40 -0.55 8.46 7.94 2yr5A1 SER 36 HA 0.24 0.19 0.53 -0.75 4.49 4.70 2yr5A1 SER 36 HB2 0.44 0.04 0.14 -0.04 3.95 4.52 2yr5A1 SER 36 HB3 0.62 0.09 -0.07 -0.04 3.93 4.52 2yr5A1 ALA 37 H 0.05 0.20 -0.14 -0.55 8.40 7.96 2yr5A1 ALA 37 HA -0.07 0.12 0.03 -0.75 4.34 3.67 2yr5A1 ALA 37 HB3 -0.06 -0.01 -0.00 -0.04 1.41 1.30 2yr5A1 LEU 38 H 0.05 0.07 -0.39 -0.55 8.37 7.55 2yr5A1 LEU 38 HA 0.01 0.13 0.71 -0.75 4.35 4.44 2yr5A1 LEU 38 HB2 0.04 0.05 -0.01 -0.04 1.64 1.68 2yr5A1 LEU 38 HB3 0.01 -0.02 0.10 -0.04 1.64 1.69 2yr5A1 LEU 38 HG 0.04 -0.05 -0.07 -0.04 1.64 1.52 2yr5A1 LEU 38 HD13 0.03 0.02 0.02 -0.04 0.93 0.96 2yr5A1 LEU 38 HD23 0.02 -0.02 -0.15 -0.04 0.89 0.70 2yr5A1 VAL 39 H 0.06 0.49 -0.23 -0.55 8.24 8.01 2yr5A1 VAL 39 HA -0.00 0.17 0.91 -0.75 4.13 4.46 2yr5A1 VAL 39 HB -0.02 -0.02 -0.51 -0.04 2.12 1.53 2yr5A1 VAL 39 HG13 0.04 -0.03 -0.19 -0.04 0.97 0.75 2yr5A1 VAL 39 HG23 -0.12 0.01 -0.21 -0.04 0.95 0.59 2yr5A1 SER 40 H 0.01 0.19 0.09 -0.55 8.46 8.21 2yr5A1 SER 40 HA 0.12 0.24 0.70 -0.75 4.49 4.79 2yr5A1 SER 40 HB2 0.03 0.28 -0.03 -0.04 3.95 4.18 2yr5A1 SER 40 HB3 0.02 -0.08 0.19 -0.04 3.93 4.02 2yr5A1 TYR 41 H 0.40 0.23 0.09 -0.55 8.29 8.46 2yr5A1 TYR 41 HA 0.00 0.08 0.33 -0.75 4.56 4.22 2yr5A1 TYR 41 HB2 0.09 -0.02 0.12 -0.04 3.06 3.21 2yr5A1 TYR 41 HB3 0.03 -0.04 -0.02 -0.04 2.98 2.91 2yr5A1 TYR 41 HD2 0.08 0.04 -0.01 -0.04 7.15 7.22 2yr5A1 TYR 41 HE2 0.10 0.12 0.04 -0.04 6.85 7.07 2yr5A1 PRO 42 HA -0.30 0.01 0.32 -0.51 4.44 3.96 2yr5A1 PRO 42 HB2 0.03 0.24 -0.01 -0.04 2.28 2.49 2yr5A1 PRO 42 HB3 -0.00 0.03 -0.07 -0.04 2.02 1.94 2yr5A1 PRO 42 HG2 0.14 0.22 -0.07 -0.04 2.03 2.27 2yr5A1 PRO 42 HG3 0.11 -0.17 -0.52 -0.04 2.03 1.41 2yr5A1 PRO 42 HD2 0.14 0.24 -0.05 -0.04 3.68 3.97 2yr5A1 PRO 42 HD3 0.20 -0.07 0.06 -0.04 3.65 3.79 2yr5A1 VAL 43 H -0.01 0.22 -0.34 -0.55 8.24 7.56 2yr5A1 VAL 43 HA -0.04 0.05 0.56 -0.75 4.13 3.94 2yr5A1 VAL 43 HB -0.02 0.11 0.18 -0.04 2.12 2.35 2yr5A1 VAL 43 HG13 -0.02 -0.01 -0.05 -0.04 0.97 0.84 2yr5A1 VAL 43 HG23 0.01 0.04 0.04 -0.04 0.95 0.99 2yr5A1 ALA 44 H -0.08 0.49 -0.07 -0.55 8.40 8.20 2yr5A1 ALA 44 HA -0.08 -0.04 0.15 -0.75 4.34 3.61 2yr5A1 ALA 44 HB3 -0.17 0.01 0.02 -0.04 1.41 1.23 2yr5A1 ALA 45 H -0.17 0.36 -0.45 -0.55 8.40 7.59 2yr5A1 ALA 45 HA -0.06 0.09 0.42 -0.75 4.34 4.04 2yr5A1 ALA 45 HB3 -0.35 -0.04 -0.01 -0.04 1.41 0.97 2yr5A1 ALA 46 H -0.08 0.38 -0.48 -0.55 8.40 7.67 2yr5A1 ALA 46 HA 0.12 -0.03 0.24 -0.75 4.34 3.91 2yr5A1 ALA 46 HB3 0.00 -0.01 0.10 -0.04 1.41 1.47 2yr5A1 ALA 47 H -0.01 0.15 -0.16 -0.55 8.40 7.84 2yr5A1 ALA 47 HA 0.02 0.14 0.71 -0.75 4.34 4.46 2yr5A1 ALA 47 HB3 -0.01 -0.02 0.02 -0.04 1.41 1.36 2yr5A1 PRO 48 HA -0.03 0.01 0.47 -0.51 4.44 4.38 2yr5A1 PRO 48 HB2 -0.04 0.04 -0.01 -0.04 2.28 2.23 2yr5A1 PRO 48 HB3 -0.06 0.05 -0.09 -0.04 2.02 1.88 2yr5A1 PRO 48 HG2 -0.04 0.07 0.05 -0.04 2.03 2.07 2yr5A1 PRO 48 HG3 -0.05 0.04 0.04 -0.04 2.03 2.02 2yr5A1 PRO 48 HD2 -0.02 0.04 0.16 -0.04 3.68 3.82 2yr5A1 PRO 48 HD3 -0.01 0.13 0.18 -0.04 3.65 3.91 2yr5A1 LEU 49 H -0.05 0.09 0.11 -0.55 8.37 7.97 2yr5A1 LEU 49 HA -0.05 0.17 0.25 -0.75 4.35 3.96 2yr5A1 LEU 49 HB2 -0.08 -0.01 -0.02 -0.04 1.64 1.49 2yr5A1 LEU 49 HB3 -0.08 -0.04 -0.00 -0.04 1.64 1.48 2yr5A1 LEU 49 HG -0.02 0.02 0.03 -0.04 1.64 1.63 2yr5A1 LEU 49 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.76 2yr5A1 LEU 49 HD23 -0.06 0.04 -0.07 -0.04 0.89 0.76 2yr5A1 GLY 50 H -0.07 0.21 -0.23 -0.55 8.43 7.80 2yr5A1 GLY 50 HA2 -0.05 0.01 0.32 -0.51 4.01 3.78 2yr5A1 GLY 50 HA3 -0.07 0.10 0.47 -0.51 4.01 4.00 2yr5A1 ARG 51 H -0.06 0.57 0.21 -0.55 8.46 8.63 2yr5A1 ARG 51 HA -0.06 0.17 0.87 -0.75 4.34 4.57 2yr5A1 ARG 51 HB2 -0.03 -0.00 0.01 -0.04 1.90 1.84 2yr5A1 ARG 51 HB3 -0.02 0.05 -0.06 -0.04 1.80 1.73 2yr5A1 ARG 51 HG2 -0.03 -0.06 -0.49 -0.04 1.67 1.05 2yr5A1 ARG 51 HG3 -0.02 -0.06 -0.10 -0.04 1.67 1.45 2yr5A1 ARG 51 HD2 -0.02 0.02 -0.00 -0.04 3.22 3.17 2yr5A1 ARG 51 HD3 -0.03 0.09 0.07 -0.04 3.22 3.30 2yr5A1 LEU 52 H -0.05 0.22 0.08 -0.55 8.37 8.07 2yr5A1 LEU 52 HA -0.05 0.22 0.83 -0.75 4.35 4.59 2yr5A1 LEU 52 HB2 -0.10 0.00 -0.05 -0.04 1.64 1.45 2yr5A1 LEU 52 HB3 -0.13 0.10 -0.02 -0.04 1.64 1.55 2yr5A1 LEU 52 HG -0.20 -0.08 -0.26 -0.04 1.64 1.06 2yr5A1 LEU 52 HD13 -0.64 -0.01 -0.15 -0.04 0.93 0.09 2yr5A1 LEU 52 HD23 -0.28 0.02 -0.15 -0.04 0.89 0.44 2yr5A1 PRO 53 HA 0.06 -0.02 0.62 -0.51 4.44 4.59 2yr5A1 PRO 53 HB2 0.13 0.11 0.02 -0.04 2.28 2.50 2yr5A1 PRO 53 HB3 0.07 -0.06 0.14 -0.04 2.02 2.12 2yr5A1 PRO 53 HG2 0.11 0.21 0.12 -0.04 2.03 2.43 2yr5A1 PRO 53 HG3 0.06 -0.02 0.06 -0.04 2.03 2.09 2yr5A1 PRO 53 HD2 0.18 0.09 0.12 -0.04 3.68 4.03 2yr5A1 PRO 53 HD3 0.04 0.16 0.07 -0.04 3.65 3.88 2yr5A1 ALA 54 H 0.06 0.01 0.16 -0.55 8.40 8.08 2yr5A1 ALA 54 HA 0.09 0.09 0.56 -0.75 4.34 4.32 2yr5A1 ALA 54 HB3 0.03 -0.01 0.10 -0.04 1.41 1.49 2yr5A1 GLY 55 H 0.07 0.25 0.26 -0.55 8.43 8.47 2yr5A1 GLY 55 HA2 -0.09 -0.03 0.23 -0.51 4.01 3.61 2yr5A1 GLY 55 HA3 -0.30 0.16 0.54 -0.51 4.01 3.90 2yr5A1 ASN 56 H -0.16 0.17 0.11 -0.55 8.53 8.11 2yr5A1 ASN 56 HA 0.05 0.23 0.93 -0.75 4.76 5.21 2yr5A1 ASN 56 HB2 -0.04 -0.07 0.20 -0.04 2.88 2.93 2yr5A1 ASN 56 HB3 0.00 -0.00 0.05 -0.04 2.79 2.81 2yr5A1 ASN 56 HD21 -0.00 0.42 0.08 -0.04 7.03 7.48 2yr5A1 ASN 56 HD22 -0.03 -0.12 0.00 -0.04 7.74 7.55 2yr5A1 TYR 57 H 0.28 0.70 0.23 -0.55 8.29 8.95 2yr5A1 TYR 57 HA 0.07 0.06 0.63 -0.75 4.56 4.56 2yr5A1 TYR 57 HB2 0.08 0.03 0.20 -0.04 3.06 3.32 2yr5A1 TYR 57 HB3 0.16 -0.04 -0.07 -0.04 2.98 2.99 2yr5A1 TYR 57 HD2 0.22 0.09 -0.05 -0.04 7.15 7.37 2yr5A1 TYR 57 HE2 0.16 0.10 -0.09 -0.04 6.85 6.98 2yr5A1 ARG 58 H 0.14 0.16 0.25 -0.55 8.46 8.45 2yr5A1 ARG 58 HA 0.17 0.23 0.97 -0.75 4.34 4.95 2yr5A1 ARG 58 HB2 0.07 -0.12 0.29 -0.04 1.90 2.09 2yr5A1 ARG 58 HB3 0.16 0.04 0.10 -0.04 1.80 2.06 2yr5A1 ARG 58 HG2 0.06 0.02 -0.03 -0.04 1.67 1.68 2yr5A1 ARG 58 HG3 0.04 0.05 -0.22 -0.04 1.67 1.50 2yr5A1 ARG 58 HD2 -0.04 0.03 0.03 -0.04 3.22 3.20 2yr5A1 ARG 58 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.14 2yr5A1 ILE 59 H 0.18 0.83 0.39 -0.55 8.25 9.10 2yr5A1 ILE 59 HA 0.15 0.29 1.04 -0.75 4.18 4.90 2yr5A1 ILE 59 HB 0.10 0.03 0.02 -0.04 1.89 2.00 2yr5A1 ILE 59 HG12 0.38 0.02 -0.11 -0.04 1.49 1.74 2yr5A1 ILE 59 HG13 0.27 -0.13 -0.42 -0.04 1.21 0.90 2yr5A1 ILE 59 HG23 0.07 -0.01 -0.21 -0.04 0.93 0.74 2yr5A1 ILE 59 HD13 0.05 0.01 -0.14 -0.04 0.88 0.76 2yr5A1 ALA 60 H -0.17 0.53 0.42 -0.55 8.40 8.62 2yr5A1 ALA 60 HA -0.19 0.24 1.03 -0.75 4.34 4.67 2yr5A1 ALA 60 HB3 -0.87 -0.01 0.01 -0.04 1.41 0.49 2yr5A1 ILE 61 H 0.04 0.66 0.27 -0.55 8.25 8.67 2yr5A1 ILE 61 HA 0.04 0.24 0.91 -0.75 4.18 4.61 2yr5A1 ILE 61 HB 0.06 -0.06 0.07 -0.04 1.89 1.92 2yr5A1 ILE 61 HG12 0.05 0.02 -0.05 -0.04 1.49 1.47 2yr5A1 ILE 61 HG13 0.04 -0.04 -0.37 -0.04 1.21 0.80 2yr5A1 ILE 61 HG23 0.07 0.01 -0.14 -0.04 0.93 0.83 2yr5A1 ILE 61 HD13 0.05 0.04 -0.14 -0.04 0.88 0.80 2yr5A1 VAL 62 H 0.04 0.73 0.28 -0.55 8.24 8.75 2yr5A1 VAL 62 HA 0.09 0.06 0.95 -0.75 4.13 4.47 2yr5A1 VAL 62 HB 0.01 -0.08 0.24 -0.04 2.12 2.25 2yr5A1 VAL 62 HG13 -0.01 -0.01 -0.07 -0.04 0.97 0.83 2yr5A1 VAL 62 HG23 -0.20 0.03 -0.12 -0.04 0.95 0.62 2yr5A1 GLY 63 H 0.09 0.70 0.24 -0.55 8.43 8.91 2yr5A1 GLY 63 HA2 0.05 -0.14 0.47 -0.51 4.01 3.88 2yr5A1 GLY 63 HA3 0.06 0.31 0.80 -0.51 4.01 4.67 2yr5A1 GLY 64 H 0.01 0.07 0.13 -0.55 8.43 8.09 2yr5A1 GLY 64 HA2 0.02 0.25 0.68 -0.51 4.01 4.45 2yr5A1 GLY 64 HA3 -0.08 0.04 0.33 -0.51 4.01 3.79 2yr5A1 GLY 65 H 0.04 0.16 -0.26 -0.55 8.43 7.82 2yr5A1 GLY 65 HA2 0.05 0.23 0.56 -0.51 4.01 4.34 2yr5A1 GLY 65 HA3 0.01 -0.03 0.31 -0.51 4.01 3.79 2yr5A1 ALA 66 H -0.07 0.14 0.12 -0.55 8.40 8.04 2yr5A1 ALA 66 HA -0.04 0.16 0.35 -0.75 4.34 4.05 2yr5A1 ALA 66 HB3 -0.38 0.01 0.05 -0.04 1.41 1.05 2yr5A1 GLY 67 H -0.03 -0.00 -0.20 -0.55 8.43 7.65 2yr5A1 GLY 67 HA2 0.10 0.16 0.30 -0.51 4.01 4.06 2yr5A1 GLY 67 HA3 0.05 0.15 0.14 -0.51 4.01 3.84 2yr5A1 GLY 68 H 0.05 -0.03 -0.25 -0.55 8.43 7.65 2yr5A1 GLY 68 HA2 0.07 0.07 0.27 -0.51 4.01 3.91 2yr5A1 GLY 68 HA3 0.06 0.39 0.29 -0.51 4.01 4.24 2yr5A1 ILE 69 H 0.05 0.51 -0.27 -0.55 8.25 7.99 2yr5A1 ILE 69 HA 0.11 0.09 0.49 -0.75 4.18 4.12 2yr5A1 ILE 69 HB 0.03 -0.02 -0.04 -0.04 1.89 1.82 2yr5A1 ILE 69 HG12 0.11 0.02 -0.25 -0.04 1.49 1.33 2yr5A1 ILE 69 HG13 0.25 0.00 -0.14 -0.04 1.21 1.28 2yr5A1 ILE 69 HG23 0.10 0.05 -0.17 -0.04 0.93 0.88 2yr5A1 ILE 69 HD13 0.18 0.00 -0.12 -0.04 0.88 0.90 2yr5A1 ALA 70 H 0.01 0.51 -0.17 -0.55 8.40 8.21 2yr5A1 ALA 70 HA -0.34 0.06 0.42 -0.75 4.34 3.73 2yr5A1 ALA 70 HB3 -0.20 0.00 0.03 -0.04 1.41 1.20 2yr5A1 ALA 71 H 0.04 0.50 -0.27 -0.55 8.40 8.13 2yr5A1 ALA 71 HA 0.04 0.05 0.36 -0.75 4.34 4.03 2yr5A1 ALA 71 HB3 0.05 0.02 0.03 -0.04 1.41 1.47 2yr5A1 LEU 72 H 0.06 0.50 -0.22 -0.55 8.37 8.16 2yr5A1 LEU 72 HA 0.03 0.00 0.37 -0.75 4.35 4.00 2yr5A1 LEU 72 HB2 0.09 0.03 0.06 -0.04 1.64 1.78 2yr5A1 LEU 72 HB3 0.11 0.11 0.08 -0.04 1.64 1.90 2yr5A1 LEU 72 HG 0.02 0.00 -0.30 -0.04 1.64 1.32 2yr5A1 LEU 72 HD13 0.05 -0.01 -0.12 -0.04 0.93 0.81 2yr5A1 LEU 72 HD23 0.16 -0.01 -0.09 -0.04 0.89 0.92 2yr5A1 TYR 73 H 0.11 0.59 -0.19 -0.55 8.29 8.25 2yr5A1 TYR 73 HA -0.05 -0.01 0.54 -0.75 4.56 4.29 2yr5A1 TYR 73 HB2 -0.10 0.03 0.06 -0.04 3.06 3.01 2yr5A1 TYR 73 HB3 -0.15 0.08 0.14 -0.04 2.98 3.01 2yr5A1 TYR 73 HD2 0.04 0.01 -0.17 -0.04 7.15 6.98 2yr5A1 TYR 73 HE2 0.08 0.05 -0.13 -0.04 6.85 6.82 2yr5A1 GLU 74 H 0.09 0.53 -0.22 -0.55 8.60 8.46 2yr5A1 GLU 74 HA -0.07 0.05 0.39 -0.75 4.29 3.91 2yr5A1 GLU 74 HB2 0.02 0.08 0.10 -0.04 2.09 2.25 2yr5A1 GLU 74 HB3 -0.00 -0.06 0.01 -0.04 1.99 1.89 2yr5A1 GLU 74 HG2 0.22 0.15 -0.02 -0.04 2.34 2.65 2yr5A1 GLU 74 HG3 0.14 -0.06 -0.09 -0.04 2.34 2.29 2yr5A1 LEU 75 H -0.04 0.57 -0.17 -0.55 8.37 8.19 2yr5A1 LEU 75 HA -0.10 0.01 0.50 -0.75 4.35 4.01 2yr5A1 LEU 75 HB2 -0.03 0.10 0.08 -0.04 1.64 1.75 2yr5A1 LEU 75 HB3 -0.05 -0.04 -0.07 -0.04 1.64 1.43 2yr5A1 LEU 75 HG -0.04 0.14 -0.05 -0.04 1.64 1.64 2yr5A1 LEU 75 HD13 -0.00 -0.03 -0.19 -0.04 0.93 0.67 2yr5A1 LEU 75 HD23 -0.12 -0.01 -0.11 -0.04 0.89 0.61 2yr5A1 GLY 76 H -0.11 0.56 -0.20 -0.55 8.43 8.14 2yr5A1 GLY 76 HA2 -0.09 -0.03 0.48 -0.51 4.01 3.86 2yr5A1 GLY 76 HA3 -0.15 0.15 0.31 -0.51 4.01 3.81 2yr5A1 ARG 77 H -0.27 0.52 -0.13 -0.55 8.46 8.03 2yr5A1 ARG 77 HA -0.16 0.06 0.41 -0.75 4.34 3.90 2yr5A1 ARG 77 HB2 -0.15 0.07 0.12 -0.04 1.90 1.89 2yr5A1 ARG 77 HB3 -0.12 -0.04 -0.00 -0.04 1.80 1.60 2yr5A1 ARG 77 HG2 -0.60 -0.02 0.01 -0.04 1.67 1.02 2yr5A1 ARG 77 HG3 -0.41 -0.03 -0.07 -0.04 1.67 1.12 2yr5A1 ARG 77 HD2 -0.11 -0.01 -0.01 -0.04 3.22 3.05 2yr5A1 ARG 77 HD3 -0.14 -0.04 -0.04 -0.04 3.22 2.95 2yr5A1 LEU 78 H -0.12 0.48 -0.20 -0.55 8.37 7.98 2yr5A1 LEU 78 HA -0.08 0.07 0.57 -0.75 4.35 4.15 2yr5A1 LEU 78 HB2 -0.12 0.11 0.14 -0.04 1.64 1.73 2yr5A1 LEU 78 HB3 -0.13 -0.04 -0.10 -0.04 1.64 1.33 2yr5A1 LEU 78 HG -0.11 0.17 0.01 -0.04 1.64 1.67 2yr5A1 LEU 78 HD13 -0.17 -0.02 -0.16 -0.04 0.93 0.53 2yr5A1 LEU 78 HD23 -0.10 -0.03 -0.13 -0.04 0.89 0.59 2yr5A1 ALA 79 H -0.09 0.57 -0.16 -0.55 8.40 8.17 2yr5A1 ALA 79 HA -0.04 -0.02 0.24 -0.75 4.34 3.76 2yr5A1 ALA 79 HB3 -0.04 0.01 -0.04 -0.04 1.41 1.30 2yr5A1 ALA 80 H -0.07 0.44 -0.32 -0.55 8.40 7.91 2yr5A1 ALA 80 HA -0.03 0.09 0.45 -0.75 4.34 4.10 2yr5A1 ALA 80 HB3 -0.05 0.04 0.04 -0.04 1.41 1.40 2yr5A1 THR 81 H -0.04 0.35 -0.57 -0.55 8.28 7.47 2yr5A1 THR 81 HA -0.02 0.06 0.69 -0.75 4.39 4.37 2yr5A1 THR 81 HB -0.03 -0.13 0.16 -0.04 4.32 4.28 2yr5A1 THR 81 HG23 -0.04 0.04 0.04 -0.04 1.22 1.22 2yr5A1 LEU 82 H -0.01 0.51 -0.26 -0.55 8.37 8.06 2yr5A1 LEU 82 HA 0.01 0.02 0.38 -0.75 4.35 4.01 2yr5A1 LEU 82 HB2 0.02 0.20 0.03 -0.04 1.64 1.84 2yr5A1 LEU 82 HB3 0.04 -0.07 -0.04 -0.04 1.64 1.53 2yr5A1 LEU 82 HG -0.02 0.09 -0.02 -0.04 1.64 1.65 2yr5A1 LEU 82 HD13 0.06 -0.03 -0.11 -0.04 0.93 0.81 2yr5A1 LEU 82 HD23 0.05 -0.04 -0.09 -0.04 0.89 0.78 2yr5A1 PRO 83 HA 0.01 0.10 0.50 -0.51 4.44 4.53 2yr5A1 PRO 83 HB2 0.01 0.04 0.09 -0.04 2.28 2.38 2yr5A1 PRO 83 HB3 0.01 0.00 0.13 -0.04 2.02 2.12 2yr5A1 PRO 83 HG2 0.03 -0.01 0.04 -0.04 2.03 2.05 2yr5A1 PRO 83 HG3 0.02 -0.02 0.10 -0.04 2.03 2.09 2yr5A1 PRO 83 HD2 0.04 0.06 0.20 -0.04 3.68 3.94 2yr5A1 PRO 83 HD3 0.02 0.20 0.21 -0.04 3.65 4.04 2yr5A1 ALA 84 H 0.01 0.05 0.18 -0.55 8.40 8.09 2yr5A1 ALA 84 HA 0.01 0.10 0.48 -0.75 4.34 4.17 2yr5A1 ALA 84 HB3 0.00 -0.01 0.09 -0.04 1.41 1.45 2yr5A1 GLY 85 H 0.01 0.15 0.22 -0.55 8.43 8.26 2yr5A1 GLY 85 HA2 0.01 -0.05 0.37 -0.51 4.01 3.83 2yr5A1 GLY 85 HA3 0.01 0.06 0.60 -0.51 4.01 4.17 2yr5A1 SER 86 H 0.02 0.55 -0.20 -0.55 8.46 8.28 2yr5A1 SER 86 HA 0.04 0.07 0.74 -0.75 4.49 4.58 2yr5A1 SER 86 HB2 0.04 0.25 0.06 -0.04 3.95 4.26 2yr5A1 SER 86 HB3 0.10 0.09 0.18 -0.04 3.93 4.26 2yr5A1 GLY 87 H 0.12 0.54 0.53 -0.55 8.43 9.08 2yr5A1 GLY 87 HA2 0.06 0.18 0.54 -0.51 4.01 4.28 2yr5A1 GLY 87 HA3 0.05 0.01 0.44 -0.51 4.01 4.00 2yr5A1 ILE 88 H 0.05 0.83 0.43 -0.55 8.25 9.01 2yr5A1 ILE 88 HA 0.17 0.11 0.90 -0.75 4.18 4.60 2yr5A1 ILE 88 HB 0.02 -0.01 0.12 -0.04 1.89 1.98 2yr5A1 ILE 88 HG12 0.02 0.02 -0.11 -0.04 1.49 1.38 2yr5A1 ILE 88 HG13 0.02 0.02 -0.26 -0.04 1.21 0.94 2yr5A1 ILE 88 HG23 0.06 -0.04 -0.25 -0.04 0.93 0.66 2yr5A1 ILE 88 HD13 -0.13 0.02 -0.10 -0.04 0.88 0.63 2yr5A1 ASP 89 H 0.12 0.76 0.33 -0.55 8.40 9.06 2yr5A1 ASP 89 HA 0.06 0.23 0.99 -0.75 4.63 5.15 2yr5A1 ASP 89 HB2 0.06 -0.00 0.03 -0.04 2.71 2.76 2yr5A1 ASP 89 HB3 0.10 -0.01 0.23 -0.04 2.70 2.97 2yr5A1 VAL 90 H 0.05 0.77 0.38 -0.55 8.24 8.89 2yr5A1 VAL 90 HA 0.07 0.38 1.00 -0.75 4.13 4.82 2yr5A1 VAL 90 HB 0.05 -0.02 0.04 -0.04 2.12 2.14 2yr5A1 VAL 90 HG13 0.05 -0.04 -0.37 -0.04 0.97 0.56 2yr5A1 VAL 90 HG23 0.04 0.01 -0.26 -0.04 0.95 0.70 2yr5A1 GLN 91 H 0.06 0.63 0.33 -0.55 8.47 8.94 2yr5A1 GLN 91 HA 0.00 0.22 0.88 -0.75 4.36 4.71 2yr5A1 GLN 91 HB2 0.09 -0.03 0.13 -0.04 2.15 2.30 2yr5A1 GLN 91 HB3 -0.09 -0.03 -0.09 -0.04 2.02 1.76 2yr5A1 GLN 91 HG2 0.21 0.02 -0.15 -0.04 2.40 2.44 2yr5A1 GLN 91 HG3 0.34 -0.01 -0.10 -0.04 2.39 2.58 2yr5A1 GLN 91 HE21 0.03 -0.01 -0.12 -0.04 6.97 6.82 2yr5A1 GLN 91 HE22 0.08 0.01 -0.23 -0.04 7.69 7.50 2yr5A1 ILE 92 H -0.01 0.72 0.32 -0.55 8.25 8.73 2yr5A1 ILE 92 HA 0.08 0.28 1.03 -0.75 4.18 4.82 2yr5A1 ILE 92 HB -0.00 -0.05 0.09 -0.04 1.89 1.89 2yr5A1 ILE 92 HG12 0.08 0.03 -0.14 -0.04 1.49 1.41 2yr5A1 ILE 92 HG13 0.08 0.02 -0.19 -0.04 1.21 1.08 2yr5A1 ILE 92 HG23 0.01 -0.01 -0.30 -0.04 0.93 0.59 2yr5A1 ILE 92 HD13 0.18 -0.01 -0.13 -0.04 0.88 0.88 2yr5A1 TYR 93 H 0.30 0.68 0.40 -0.55 8.29 9.11 2yr5A1 TYR 93 HA 0.02 0.19 0.85 -0.75 4.56 4.86 2yr5A1 TYR 93 HB2 0.01 -0.11 0.24 -0.04 3.06 3.16 2yr5A1 TYR 93 HB3 0.03 0.09 0.00 -0.04 2.98 3.06 2yr5A1 TYR 93 HD2 -0.01 0.06 -0.20 -0.04 7.15 6.96 2yr5A1 TYR 93 HE2 -0.02 0.02 -0.22 -0.04 6.85 6.59 2yr5A1 GLU 94 H 0.11 0.76 0.35 -0.55 8.60 9.27 2yr5A1 GLU 94 HA 0.07 -0.08 0.84 -0.75 4.29 4.37 2yr5A1 GLU 94 HB2 -0.08 0.02 -0.19 -0.04 2.09 1.81 2yr5A1 GLU 94 HB3 -0.06 0.13 0.03 -0.04 1.99 2.05 2yr5A1 GLU 94 HG2 -0.27 0.00 -0.00 -0.04 2.34 2.03 2yr5A1 GLU 94 HG3 -0.00 0.11 -0.13 -0.04 2.34 2.28 2yr5A1 ALA 95 H 0.10 0.09 0.10 -0.55 8.40 8.14 2yr5A1 ALA 95 HA 0.08 0.12 0.16 -0.75 4.34 3.94 2yr5A1 ALA 95 HB3 0.08 0.01 -0.04 -0.04 1.41 1.42 2yr5A1 ASP 96 H 0.09 -0.04 -0.16 -0.55 8.40 7.74 2yr5A1 ASP 96 HA 0.07 0.19 0.53 -0.75 4.63 4.67 2yr5A1 ASP 96 HB2 0.08 0.00 0.08 -0.04 2.71 2.84 2yr5A1 ASP 96 HB3 0.06 -0.06 0.12 -0.04 2.70 2.77 2yr5A1 PRO 97 HA 0.05 0.15 0.39 -0.51 4.44 4.52 2yr5A1 PRO 97 HB2 0.01 0.03 -0.02 -0.04 2.28 2.27 2yr5A1 PRO 97 HB3 -0.02 0.08 0.13 -0.04 2.02 2.16 2yr5A1 PRO 97 HG2 0.03 -0.03 0.04 -0.04 2.03 2.04 2yr5A1 PRO 97 HG3 0.01 0.09 0.10 -0.04 2.03 2.19 2yr5A1 PRO 97 HD2 0.05 -0.01 0.25 -0.04 3.68 3.93 2yr5A1 PRO 97 HD3 0.03 0.33 0.31 -0.04 3.65 4.29 2yr5A1 ASP 98 H 0.06 0.05 -0.34 -0.55 8.40 7.62 2yr5A1 ASP 98 HA 0.05 0.14 0.78 -0.75 4.63 4.84 2yr5A1 ASP 98 HB2 0.04 -0.02 0.00 -0.04 2.71 2.70 2yr5A1 ASP 98 HB3 0.03 0.11 0.09 -0.04 2.70 2.90 2yr5A1 SER 99 H 0.07 0.46 -0.33 -0.55 8.46 8.11 2yr5A1 SER 99 HA 0.01 0.17 0.38 -0.75 4.49 4.30 2yr5A1 SER 99 HB2 -0.11 -0.11 0.09 -0.04 3.95 3.78 2yr5A1 SER 99 HB3 -0.34 0.16 0.05 -0.04 3.93 3.76 2yr5A1 PHE 100 H 0.21 0.62 0.29 -0.55 8.34 8.91 2yr5A1 PHE 100 HA -0.07 0.16 0.50 -0.75 4.62 4.46 2yr5A1 PHE 100 HB2 -0.07 0.05 0.09 -0.04 3.15 3.18 2yr5A1 PHE 100 HB3 -0.06 0.03 0.05 -0.04 3.06 3.04 2yr5A1 PHE 100 HD2 -0.12 0.11 -0.02 -0.04 7.28 7.20 2yr5A1 PHE 100 HE2 -0.30 0.08 -0.01 -0.04 7.38 7.10 2yr5A1 PHE 100 HZ -0.25 0.02 -0.11 -0.04 7.32 6.93 2yr5A1 LEU 101 H -1.01 -0.02 -0.38 -0.55 8.37 6.41 2yr5A1 LEU 101 HA -0.86 0.20 0.29 -0.75 4.35 3.22 2yr5A1 LEU 101 HB2 -0.92 -0.07 -0.04 -0.04 1.64 0.56 2yr5A1 LEU 101 HB3 -0.65 0.04 -0.03 -0.04 1.64 0.96 2yr5A1 LEU 101 HG -1.87 -0.07 -0.00 -0.04 1.64 -0.34 2yr5A1 LEU 101 HD13 -0.43 -0.02 -0.05 -0.04 0.93 0.39 2yr5A1 LEU 101 HD23 -1.27 0.03 -0.06 -0.04 0.89 -0.45 2yr5A1 HIS 102 H -0.37 0.43 -0.42 -0.55 8.41 7.51 2yr5A1 HIS 102 HA -0.09 0.17 0.80 -0.75 4.63 4.75 2yr5A1 HIS 102 HB2 -0.06 0.15 0.01 -0.04 3.26 3.32 2yr5A1 HIS 102 HB3 -0.05 -0.04 0.16 -0.04 3.20 3.23 2yr5A1 HIS 102 HD2 -0.06 0.10 -0.00 -0.04 6.97 6.96 2yr5A1 HIS 102 HE1 -0.09 -0.03 -0.33 -0.04 7.75 7.25 2yr5A1 ASP 103 H -0.06 0.42 -0.40 -0.55 8.40 7.81 2yr5A1 ASP 103 HA 0.03 0.14 0.76 -0.75 4.63 4.80 2yr5A1 ASP 103 HB2 0.03 -0.06 -0.02 -0.04 2.71 2.62 2yr5A1 ASP 103 HB3 0.04 0.10 0.18 -0.04 2.70 2.99 2yr5A1 ARG 104 H 0.01 0.16 -0.37 -0.55 8.46 7.71 2yr5A1 ARG 104 HA 0.04 0.04 0.13 -0.75 4.34 3.79 2yr5A1 ARG 104 HB2 0.04 -0.04 0.00 -0.04 1.90 1.85 2yr5A1 ARG 104 HB3 0.04 0.22 0.08 -0.04 1.80 2.10 2yr5A1 ARG 104 HG2 0.07 0.03 0.07 -0.04 1.67 1.80 2yr5A1 ARG 104 HG3 0.06 -0.03 0.04 -0.04 1.67 1.71 2yr5A1 ARG 104 HD2 0.04 -0.02 0.01 -0.04 3.22 3.21 2yr5A1 ARG 104 HD3 0.03 -0.03 0.01 -0.04 3.22 3.19 2yr5A1 ALA 109 HA -0.16 0.13 0.35 -0.75 4.34 3.90 2yr5A1 ALA 109 HB3 -0.48 -0.08 -0.05 -0.04 1.41 0.76 2yr5A1 ILE 110 H -0.08 0.67 0.30 -0.55 8.25 8.59 2yr5A1 ILE 110 HA -0.13 0.28 0.97 -0.75 4.18 4.55 2yr5A1 ILE 110 HB 0.05 0.02 0.09 -0.04 1.89 2.01 2yr5A1 ILE 110 HG12 -0.16 0.01 -0.16 -0.04 1.49 1.15 2yr5A1 ILE 110 HG13 -0.05 -0.01 -0.30 -0.04 1.21 0.80 2yr5A1 ILE 110 HG23 -0.06 -0.04 -0.30 -0.04 0.93 0.48 2yr5A1 ILE 110 HD13 0.21 -0.00 -0.15 -0.04 0.88 0.90 2yr5A1 LYS 111 H 0.03 0.76 0.31 -0.55 8.42 8.96 2yr5A1 LYS 111 HA 0.05 0.03 0.86 -0.75 4.32 4.51 2yr5A1 LYS 111 HB2 0.13 0.01 0.13 -0.04 1.87 2.09 2yr5A1 LYS 111 HB3 0.03 0.04 0.24 -0.04 1.79 2.05 2yr5A1 LYS 111 HG2 -0.01 0.02 0.87 -0.04 1.46 2.30 2yr5A1 LYS 111 HG3 0.01 -0.11 -0.17 -0.04 1.46 1.14 2yr5A1 LYS 111 HD2 -0.10 -0.03 0.26 -0.04 1.69 1.78 2yr5A1 LYS 111 HD3 -0.08 0.00 0.03 -0.04 1.68 1.59 2yr5A1 LYS 111 HE2 -0.02 0.25 1.37 -0.04 2.99 4.56 2yr5A1 LYS 111 HE3 -0.02 -0.07 -0.57 -0.04 2.99 2.29 2yr5A1 VAL 112 H 0.03 0.06 0.25 -0.55 8.24 8.03 2yr5A1 VAL 112 HA -0.01 0.32 0.91 -0.75 4.13 4.59 2yr5A1 VAL 112 HB 0.01 -0.05 0.07 -0.04 2.12 2.11 2yr5A1 VAL 112 HG13 0.05 0.04 -0.21 -0.04 0.97 0.81 2yr5A1 VAL 112 HG23 0.04 -0.00 -0.08 -0.04 0.95 0.86 2yr5A1 ARG 113 H 0.02 0.00 0.18 -0.55 8.46 8.11 2yr5A1 ARG 113 HA 0.03 -0.02 0.47 -0.75 4.34 4.06 2yr5A1 ARG 113 HB2 0.02 -0.03 0.12 -0.04 1.90 1.97 2yr5A1 ARG 113 HB3 0.02 0.00 0.07 -0.04 1.80 1.85 2yr5A1 ARG 113 HG2 0.03 0.09 -0.27 -0.04 1.67 1.48 2yr5A1 ARG 113 HG3 0.03 0.04 0.01 -0.04 1.67 1.70 2yr5A1 ARG 113 HD2 0.02 0.06 -0.04 -0.04 3.22 3.22 2yr5A1 ARG 113 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.13 2yr5A1 GLY 114 H 0.04 0.21 0.22 -0.55 8.43 8.35 2yr5A1 GLY 114 HA2 0.04 0.07 0.04 -0.51 4.01 3.65 2yr5A1 GLY 114 HA3 0.04 0.12 0.58 -0.51 4.01 4.24 2yr5A1 LEU 115 H 0.03 0.54 -0.16 -0.55 8.37 8.23 2yr5A1 LEU 115 HA 0.03 0.14 0.69 -0.75 4.35 4.46 2yr5A1 LEU 115 HB2 -0.01 0.21 0.04 -0.04 1.64 1.84 2yr5A1 LEU 115 HB3 -0.01 -0.19 0.11 -0.04 1.64 1.51 2yr5A1 LEU 115 HG -0.00 0.12 -0.49 -0.04 1.64 1.23 2yr5A1 LEU 115 HD13 -0.04 0.01 -0.30 -0.04 0.93 0.56 2yr5A1 LEU 115 HD23 -0.00 0.01 -0.24 -0.04 0.89 0.62 2yr5A1 LYS 116 H 0.07 0.33 -0.09 -0.55 8.42 8.18 2yr5A1 LYS 116 HA 0.07 0.22 1.10 -0.75 4.32 4.95 2yr5A1 LYS 116 HB2 0.07 -0.13 -0.21 -0.04 1.87 1.56 2yr5A1 LYS 116 HB3 0.09 0.06 -0.03 -0.04 1.79 1.87 2yr5A1 LYS 116 HG2 0.02 0.05 -0.15 -0.04 1.46 1.33 2yr5A1 LYS 116 HG3 0.03 0.12 -0.09 -0.04 1.46 1.47 2yr5A1 LYS 116 HD2 0.04 -0.15 -0.09 -0.04 1.69 1.45 2yr5A1 LYS 116 HD3 0.01 0.05 -0.07 -0.04 1.68 1.63 2yr5A1 LYS 116 HE2 -0.10 0.08 -0.10 -0.04 2.99 2.83 2yr5A1 LYS 116 HE3 -0.00 -0.02 -0.08 -0.04 2.99 2.85 2yr5A1 ALA 117 H 0.08 0.90 0.12 -0.55 8.40 8.95 2yr5A1 ALA 117 HA 0.22 0.13 0.63 -0.75 4.34 4.56 2yr5A1 ALA 117 HB3 0.03 0.02 0.14 -0.04 1.41 1.56 2yr5A1 GLY 118 H 0.09 0.16 -0.09 -0.55 8.43 8.03 2yr5A1 GLY 118 HA2 0.10 0.06 0.29 -0.51 4.01 3.95 2yr5A1 GLY 118 HA3 0.04 -0.09 0.52 -0.51 4.01 3.97 2yr5A1 ARG 119 H -0.05 0.05 0.26 -0.55 8.46 8.16 2yr5A1 ARG 119 HA -0.18 0.21 0.56 -0.75 4.34 4.17 2yr5A1 ARG 119 HB2 -0.22 -0.10 0.17 -0.04 1.90 1.70 2yr5A1 ARG 119 HB3 -0.51 0.06 0.21 -0.04 1.80 1.51 2yr5A1 ARG 119 HG2 -0.98 0.09 0.03 -0.04 1.67 0.77 2yr5A1 ARG 119 HG3 -0.11 -0.14 -0.03 -0.04 1.67 1.34 2yr5A1 ARG 119 HD2 -0.34 0.23 0.16 -0.04 3.22 3.24 2yr5A1 ARG 119 HD3 -0.19 0.12 0.06 -0.04 3.22 3.16 2yr5A1 VAL 120 H -0.01 0.40 -0.20 -0.55 8.24 7.88 2yr5A1 VAL 120 HA 0.03 0.07 0.73 -0.75 4.13 4.20 2yr5A1 VAL 120 HB -0.01 0.03 0.17 -0.04 2.12 2.27 2yr5A1 VAL 120 HG13 0.06 0.05 -0.28 -0.04 0.97 0.75 2yr5A1 VAL 120 HG23 -0.04 -0.02 0.00 -0.04 0.95 0.86 2yr5A1 SER 121 H 0.09 0.19 -0.04 -0.55 8.46 8.16 2yr5A1 SER 121 HA 0.06 0.20 0.92 -0.75 4.49 4.92 2yr5A1 SER 121 HB2 0.26 0.13 -0.38 -0.04 3.95 3.93 2yr5A1 SER 121 HB3 0.31 -0.08 -0.09 -0.04 3.93 4.03 2yr5A1 ALA 122 H 0.01 0.68 0.28 -0.55 8.40 8.82 2yr5A1 ALA 122 HA -0.05 0.30 1.12 -0.75 4.34 4.95 2yr5A1 ALA 122 HB3 -0.03 -0.03 0.03 -0.04 1.41 1.33 2yr5A1 ALA 123 H -0.21 0.59 0.34 -0.55 8.40 8.57 2yr5A1 ALA 123 HA -0.13 0.32 0.90 -0.75 4.34 4.67 2yr5A1 ALA 123 HB3 -0.36 -0.01 -0.03 -0.04 1.41 0.97 2yr5A1 LEU 124 H -0.12 0.69 0.26 -0.55 8.37 8.65 2yr5A1 LEU 124 HA -0.21 0.17 0.96 -0.75 4.35 4.52 2yr5A1 LEU 124 HB2 -0.08 -0.03 -0.04 -0.04 1.64 1.44 2yr5A1 LEU 124 HB3 -0.05 -0.06 0.14 -0.04 1.64 1.64 2yr5A1 LEU 124 HG -0.07 0.00 -0.07 -0.04 1.64 1.46 2yr5A1 LEU 124 HD13 -0.00 -0.01 -0.46 -0.04 0.93 0.42 2yr5A1 LEU 124 HD23 -0.07 0.03 -0.03 -0.04 0.89 0.78 2yr5A1 VAL 125 H -0.30 0.63 0.39 -0.55 8.24 8.40 2yr5A1 VAL 125 HA -0.25 0.38 0.91 -0.75 4.13 4.41 2yr5A1 VAL 125 HB -0.34 -0.17 0.22 -0.04 2.12 1.79 2yr5A1 VAL 125 HG13 -0.25 0.02 -0.08 -0.04 0.97 0.61 2yr5A1 VAL 125 HG23 -0.84 0.01 -0.12 -0.04 0.95 -0.04 2yr5A1 HIS 126 H -0.32 0.91 0.39 -0.55 8.41 8.84 2yr5A1 HIS 126 HA -0.12 0.05 0.76 -0.75 4.63 4.57 2yr5A1 HIS 126 HB2 -0.06 0.02 -0.18 -0.04 3.26 2.99 2yr5A1 HIS 126 HB3 -0.09 0.05 -0.38 -0.04 3.20 2.74 2yr5A1 HIS 126 HD2 -0.09 0.15 -0.17 -0.04 6.97 6.81 2yr5A1 HIS 126 HE1 -0.03 0.05 -0.20 -0.04 7.75 7.53 2yr5A1 ASN 127 H 0.06 0.22 0.07 -0.55 8.53 8.34 2yr5A1 ASN 127 HA -0.12 0.31 0.88 -0.75 4.76 5.08 2yr5A1 ASN 127 HB2 -0.00 0.01 0.09 -0.04 2.88 2.94 2yr5A1 ASN 127 HB3 -0.02 -0.00 0.20 -0.04 2.79 2.92 2yr5A1 ASN 127 HD21 -0.15 0.02 -0.12 -0.04 7.03 6.74 2yr5A1 ASN 127 HD22 -0.04 0.05 -0.04 -0.04 7.74 7.67 2yr5A1 GLY 128 H 0.60 0.08 -0.28 -0.55 8.43 8.28 2yr5A1 GLY 128 HA2 0.14 0.02 0.17 -0.51 4.01 3.82 2yr5A1 GLY 128 HA3 0.07 0.23 0.78 -0.51 4.01 4.58 2yr5A1 ASP 129 H 0.12 0.16 -0.12 -0.55 8.40 8.00 2yr5A1 ASP 129 HA -0.04 0.25 0.86 -0.75 4.63 4.94 2yr5A1 ASP 129 HB2 0.00 0.07 -0.00 -0.04 2.71 2.74 2yr5A1 ASP 129 HB3 0.01 0.06 0.14 -0.04 2.70 2.86 2yr5A1 PRO 130 HA -0.37 0.11 0.33 -0.51 4.44 4.01 2yr5A1 PRO 130 HB2 -0.23 0.07 0.01 -0.04 2.28 2.09 2yr5A1 PRO 130 HB3 -0.62 0.04 0.03 -0.04 2.02 1.43 2yr5A1 PRO 130 HG2 -0.19 0.07 0.04 -0.04 2.03 1.90 2yr5A1 PRO 130 HG3 -0.40 0.05 -0.01 -0.04 2.03 1.62 2yr5A1 PRO 130 HD2 -0.14 0.11 0.16 -0.04 3.68 3.77 2yr5A1 PRO 130 HD3 -0.22 0.31 -0.11 -0.04 3.65 3.59 2yr5A1 ALA 131 H -0.09 0.07 -0.40 -0.55 8.40 7.44 2yr5A1 ALA 131 HA -0.05 0.14 0.52 -0.75 4.34 4.20 2yr5A1 ALA 131 HB3 -0.03 0.00 0.03 -0.04 1.41 1.37 2yr5A1 SER 132 H -0.04 0.45 -0.51 -0.55 8.46 7.80 2yr5A1 SER 132 HA -0.01 0.20 0.81 -0.75 4.49 4.74 2yr5A1 SER 132 HB2 -0.01 -0.06 -0.13 -0.04 3.95 3.71 2yr5A1 SER 132 HB3 0.00 -0.05 0.17 -0.04 3.93 4.01 2yr5A1 GLY 133 H -0.02 0.14 -0.13 -0.55 8.43 7.87 2yr5A1 GLY 133 HA2 0.02 -0.01 0.65 -0.51 4.01 4.17 2yr5A1 GLY 133 HA3 -0.02 0.05 0.31 -0.51 4.01 3.84 2yr5A1 ASP 134 H -0.09 0.73 0.40 -0.55 8.40 8.89 2yr5A1 ASP 134 HA 0.02 0.13 0.72 -0.75 4.63 4.75 2yr5A1 ASP 134 HB2 -0.30 0.03 0.06 -0.04 2.71 2.45 2yr5A1 ASP 134 HB3 -0.62 -0.04 -0.05 -0.04 2.70 1.94 2yr5A1 THR 135 H -0.16 0.31 0.32 -0.55 8.28 8.20 2yr5A1 THR 135 HA -0.03 0.09 0.53 -0.75 4.39 4.23 2yr5A1 THR 135 HB 0.03 0.07 -0.37 -0.04 4.32 4.01 2yr5A1 THR 135 HG23 -0.10 0.01 -0.26 -0.04 1.22 0.82 2yr5A1 ILE 136 H -0.06 0.28 0.22 -0.55 8.25 8.14 2yr5A1 ILE 136 HA -0.27 0.26 0.99 -0.75 4.18 4.41 2yr5A1 ILE 136 HB -0.04 0.05 0.13 -0.04 1.89 1.99 2yr5A1 ILE 136 HG12 -0.06 -0.11 -0.24 -0.04 1.49 1.04 2yr5A1 ILE 136 HG13 -0.04 0.23 -0.11 -0.04 1.21 1.25 2yr5A1 ILE 136 HG23 -0.07 -0.03 -0.21 -0.04 0.93 0.57 2yr5A1 ILE 136 HD13 -0.09 0.00 -0.11 -0.04 0.88 0.64 2yr5A1 TYR 137 H -0.46 0.67 0.31 -0.55 8.29 8.26 2yr5A1 TYR 137 HA -0.71 0.18 0.86 -0.75 4.56 4.13 2yr5A1 TYR 137 HB2 -0.92 -0.10 0.12 -0.04 3.06 2.12 2yr5A1 TYR 137 HB3 -2.34 0.05 -0.10 -0.04 2.98 0.55 2yr5A1 TYR 137 HD2 -0.88 0.00 -0.20 -0.04 7.15 6.03 2yr5A1 TYR 137 HE2 -0.18 0.08 -0.19 -0.04 6.85 6.53 2yr5A1 GLU 138 H -0.03 0.28 0.05 -0.55 8.60 8.35 2yr5A1 GLU 138 HA 0.01 0.02 0.81 -0.75 4.29 4.38 2yr5A1 GLU 138 HB2 0.13 0.05 0.16 -0.04 2.09 2.40 2yr5A1 GLU 138 HB3 0.08 0.14 -0.03 -0.04 1.99 2.14 2yr5A1 GLU 138 HG2 0.05 0.03 -0.09 -0.04 2.34 2.29 2yr5A1 GLU 138 HG3 0.12 0.08 0.05 -0.04 2.34 2.55 2yr5A1 VAL 139 H 0.05 0.57 0.26 -0.55 8.24 8.56 2yr5A1 VAL 139 HA 0.41 0.09 0.37 -0.75 4.13 4.24 2yr5A1 VAL 139 HB 0.12 -0.01 -0.04 -0.04 2.12 2.16 2yr5A1 VAL 139 HG13 0.08 -0.02 -0.10 -0.04 0.97 0.90 2yr5A1 VAL 139 HG23 -0.04 0.04 -0.17 -0.04 0.95 0.73 2yr5A1 GLY 140 H 0.18 0.02 -0.07 -0.55 8.43 8.02 2yr5A1 GLY 140 HA2 0.00 0.15 0.79 -0.51 4.01 4.44 2yr5A1 GLY 140 HA3 -0.02 0.18 0.47 -0.51 4.01 4.13 2yr5A1 ALA 141 H -0.06 0.29 0.30 -0.55 8.40 8.39 2yr5A1 ALA 141 HA -0.13 0.07 0.34 -0.75 4.34 3.86 2yr5A1 ALA 141 HB3 0.11 -0.04 0.05 -0.04 1.41 1.49 2yr5A1 MET 142 H -0.33 -0.00 0.24 -0.55 8.47 7.83 2yr5A1 MET 142 HA 0.01 0.08 0.89 -0.75 4.52 4.76 2yr5A1 MET 142 HB2 0.02 -0.01 0.10 -0.04 2.15 2.22 2yr5A1 MET 142 HB3 -0.05 0.15 -0.27 -0.04 2.03 1.82 2yr5A1 MET 142 HG2 -0.34 -0.06 -0.03 -0.04 2.63 2.16 2yr5A1 MET 142 HG3 -0.72 0.01 -0.30 -0.04 2.56 1.51 2yr5A1 MET 142 HE3 -0.37 -0.00 -0.07 -0.04 2.10 1.62 2yr5A1 ARG 143 H -0.79 0.05 0.19 -0.55 8.46 7.36 2yr5A1 ARG 143 HA -0.45 0.32 0.84 -0.75 4.34 4.29 2yr5A1 ARG 143 HB2 -0.42 0.02 -0.09 -0.04 1.90 1.38 2yr5A1 ARG 143 HB3 -1.54 0.11 -0.21 -0.04 1.80 0.12 2yr5A1 ARG 143 HG2 -0.45 -0.16 0.01 -0.04 1.67 1.03 2yr5A1 ARG 143 HG3 -0.15 0.01 -0.05 -0.04 1.67 1.44 2yr5A1 ARG 143 HD2 -0.34 0.07 -0.09 -0.04 3.22 2.82 2yr5A1 ARG 143 HD3 -1.24 0.04 -0.13 -0.04 3.22 1.85 2yr5A1 PHE 144 H 0.09 0.48 0.24 -0.55 8.34 8.60 2yr5A1 PHE 144 HA 0.16 0.10 0.82 -0.75 4.62 4.96 2yr5A1 PHE 144 HB2 0.17 0.13 0.02 -0.04 3.15 3.43 2yr5A1 PHE 144 HB3 -0.20 -0.02 -0.06 -0.04 3.06 2.73 2yr5A1 PHE 144 HD2 0.09 0.09 -0.10 -0.04 7.28 7.31 2yr5A1 PHE 144 HE2 0.05 -0.04 -0.16 -0.04 7.38 7.19 2yr5A1 PHE 144 HZ 0.05 0.01 -0.32 -0.04 7.32 7.02 2yr5A1 PRO 145 HA -0.11 0.27 0.33 -0.51 4.44 4.41 2yr5A1 PRO 145 HB2 -1.03 -0.17 -0.05 -0.04 2.28 0.99 2yr5A1 PRO 145 HB3 -0.90 0.19 0.01 -0.04 2.02 1.28 2yr5A1 PRO 145 HG2 -1.72 -0.09 0.06 -0.04 2.03 0.24 2yr5A1 PRO 145 HG3 -0.70 0.32 0.08 -0.04 2.03 1.69 2yr5A1 PRO 145 HD2 -0.01 -0.09 0.22 -0.04 3.68 3.75 2yr5A1 PRO 145 HD3 0.15 0.24 0.28 -0.04 3.65 4.28 2yr5A1 GLU 146 H 0.03 0.76 0.38 -0.55 8.60 9.22 2yr5A1 GLU 146 HA 0.09 0.01 0.31 -0.75 4.29 3.95 2yr5A1 GLU 146 HB2 0.25 0.09 0.15 -0.04 2.09 2.53 2yr5A1 GLU 146 HB3 -0.03 0.02 0.09 -0.04 1.99 2.02 2yr5A1 GLU 146 HG2 -0.20 0.01 -0.03 -0.04 2.34 2.09 2yr5A1 GLU 146 HG3 -0.39 -0.08 0.05 -0.04 2.34 1.88 2yr5A1 ILE 147 H -0.27 0.16 -0.25 -0.55 8.25 7.34 2yr5A1 ILE 147 HA 0.02 0.29 0.73 -0.75 4.18 4.47 2yr5A1 ILE 147 HB 0.01 -0.05 0.20 -0.04 1.89 2.01 2yr5A1 ILE 147 HG12 -0.40 0.06 0.05 -0.04 1.49 1.15 2yr5A1 ILE 147 HG13 -0.52 -0.11 -0.02 -0.04 1.21 0.52 2yr5A1 ILE 147 HG23 -0.06 0.01 -0.25 -0.04 0.93 0.58 2yr5A1 ILE 147 HD13 -0.36 0.01 -0.00 -0.04 0.88 0.48 2yr5A1 ALA 148 H 0.13 0.54 -0.66 -0.55 8.40 7.86 2yr5A1 ALA 148 HA 0.67 0.03 0.52 -0.75 4.34 4.80 2yr5A1 ALA 148 HB3 0.16 -0.01 0.09 -0.04 1.41 1.61 2yr5A1 GLY 149 H 0.41 0.51 0.15 -0.55 8.43 8.95 2yr5A1 GLY 149 HA2 0.32 0.11 0.04 -0.51 4.01 3.97 2yr5A1 GLY 149 HA3 0.25 0.30 0.15 -0.51 4.01 4.21 2yr5A1 LEU 150 H 0.26 0.09 -0.14 -0.55 8.37 8.03 2yr5A1 LEU 150 HA 0.04 0.19 0.50 -0.75 4.35 4.32 2yr5A1 LEU 150 HB2 0.17 0.05 -0.02 -0.04 1.64 1.80 2yr5A1 LEU 150 HB3 0.25 -0.09 -0.03 -0.04 1.64 1.73 2yr5A1 LEU 150 HG 0.10 -0.06 -0.19 -0.04 1.64 1.46 2yr5A1 LEU 150 HD13 -0.21 0.03 -0.18 -0.04 0.93 0.52 2yr5A1 LEU 150 HD23 0.31 0.01 -0.28 -0.04 0.89 0.89 2yr5A1 THR 151 H 0.28 0.07 -0.30 -0.55 8.28 7.78 2yr5A1 THR 151 HA 0.50 -0.01 0.31 -0.75 4.39 4.44 2yr5A1 THR 151 HB -0.15 0.31 0.05 -0.04 4.32 4.49 2yr5A1 THR 151 HG23 -0.26 -0.00 -0.18 -0.04 1.22 0.74 2yr5A1 TRP 152 H 0.12 0.59 -0.22 -0.55 7.97 7.91 2yr5A1 TRP 152 HA 0.01 -0.00 0.39 -0.75 4.62 4.27 2yr5A1 TRP 152 HB2 0.05 0.14 -0.11 -0.04 3.23 3.27 2yr5A1 TRP 152 HB3 -0.00 -0.01 -0.06 -0.04 3.23 3.11 2yr5A1 TRP 152 HD1 0.05 0.07 -0.34 -0.04 7.22 6.96 2yr5A1 TRP 152 HE1 0.05 0.41 -0.21 -0.04 10.20 10.41 2yr5A1 TRP 152 HE3 -0.07 -0.06 -0.05 -0.04 7.59 7.37 2yr5A1 TRP 152 HZ2 0.23 0.09 -0.17 -0.04 7.44 7.55 2yr5A1 TRP 152 HZ3 -0.10 0.01 -0.12 -0.04 7.13 6.87 2yr5A1 TRP 152 HH2 0.10 0.20 -0.28 -0.04 7.19 7.17 2yr5A1 HIS 153 H 0.23 0.49 -0.28 -0.55 8.41 8.30 2yr5A1 HIS 153 HA 0.01 0.02 0.48 -0.75 4.63 4.39 2yr5A1 HIS 153 HB2 -0.04 0.08 0.10 -0.04 3.26 3.36 2yr5A1 HIS 153 HB3 -0.24 0.05 0.19 -0.04 3.20 3.16 2yr5A1 HIS 153 HD2 -1.28 -0.07 -0.16 -0.04 6.97 5.41 2yr5A1 HIS 153 HE1 -0.03 0.13 -0.20 -0.04 7.75 7.62 2yr5A1 TYR 154 H -0.07 0.54 -0.17 -0.55 8.29 8.04 2yr5A1 TYR 154 HA -0.34 0.09 0.41 -0.75 4.56 3.96 2yr5A1 TYR 154 HB2 -0.33 0.04 0.06 -0.04 3.06 2.79 2yr5A1 TYR 154 HB3 -0.32 -0.06 -0.04 -0.04 2.98 2.51 2yr5A1 TYR 154 HD2 -0.95 -0.03 -0.09 -0.04 7.15 6.03 2yr5A1 TYR 154 HE2 -0.05 0.01 -0.10 -0.04 6.85 6.66 2yr5A1 ALA 155 H 0.05 0.56 -0.16 -0.55 8.40 8.30 2yr5A1 ALA 155 HA -0.36 -0.01 0.46 -0.75 4.34 3.67 2yr5A1 ALA 155 HB3 -0.14 0.02 0.01 -0.04 1.41 1.26 2yr5A1 SER 156 H 0.03 0.61 -0.37 -0.55 8.46 8.18 2yr5A1 SER 156 HA 0.05 -0.05 0.33 -0.75 4.49 4.06 2yr5A1 SER 156 HB2 0.04 0.01 -0.04 -0.04 3.95 3.92 2yr5A1 SER 156 HB3 -0.07 0.26 0.11 -0.04 3.93 4.19 2yr5A1 ALA 157 H -0.17 0.44 -0.14 -0.55 8.40 7.99 2yr5A1 ALA 157 HA -0.08 0.02 0.46 -0.75 4.34 3.99 2yr5A1 ALA 157 HB3 -0.24 0.02 0.06 -0.04 1.41 1.21 2yr5A1 ALA 158 H -0.16 0.42 -0.34 -0.55 8.40 7.77 2yr5A1 ALA 158 HA -0.25 0.07 0.39 -0.75 4.34 3.80 2yr5A1 ALA 158 HB3 -0.60 -0.03 0.03 -0.04 1.41 0.76 2yr5A1 PHE 159 H -0.06 0.29 -0.10 -0.55 8.34 7.92 2yr5A1 PHE 159 HA -0.01 0.17 0.97 -0.75 4.62 5.01 2yr5A1 PHE 159 HB2 -0.04 0.09 0.02 -0.04 3.15 3.17 2yr5A1 PHE 159 HB3 -0.02 -0.05 0.10 -0.04 3.06 3.05 2yr5A1 PHE 159 HD2 -0.12 0.05 -0.00 -0.04 7.28 7.17 2yr5A1 PHE 159 HE2 -0.32 -0.08 -0.11 -0.04 7.38 6.82 2yr5A1 PHE 159 HZ 0.01 -0.19 -0.27 -0.04 7.32 6.82 2yr5A1 GLY 160 H 0.05 0.44 0.12 -0.55 8.43 8.50 2yr5A1 GLY 160 HA2 0.03 0.12 0.45 -0.51 4.01 4.09 2yr5A1 GLY 160 HA3 0.05 0.07 0.66 -0.51 4.01 4.28 2yr5A1 ASP 161 H 0.02 0.20 0.15 -0.55 8.40 8.22 2yr5A1 ASP 161 HA 0.02 0.07 0.29 -0.75 4.63 4.25 2yr5A1 ASP 161 HB2 0.00 0.04 0.12 -0.04 2.71 2.83 2yr5A1 ASP 161 HB3 -0.01 -0.04 0.00 -0.04 2.70 2.61 2yr5A1 ALA 162 H 0.01 0.11 -0.25 -0.55 8.40 7.72 2yr5A1 ALA 162 HA -0.02 0.04 0.46 -0.75 4.34 4.06 2yr5A1 ALA 162 HB3 -0.00 0.01 0.02 -0.04 1.41 1.40 2yr5A1 ALA 163 H 0.02 0.30 -0.43 -0.55 8.40 7.74 2yr5A1 ALA 163 HA -0.02 0.10 0.52 -0.75 4.34 4.19 2yr5A1 ALA 163 HB3 -0.00 0.06 0.05 -0.04 1.41 1.47 2yr5A1 PRO 164 HA -0.05 0.24 0.56 -0.51 4.44 4.68 2yr5A1 PRO 164 HB2 -0.02 0.05 -0.07 -0.04 2.28 2.20 2yr5A1 PRO 164 HB3 -0.02 0.00 0.14 -0.04 2.02 2.09 2yr5A1 PRO 164 HG2 -0.04 -0.00 0.08 -0.04 2.03 2.03 2yr5A1 PRO 164 HG3 -0.03 0.02 0.08 -0.04 2.03 2.06 2yr5A1 PRO 164 HD2 -0.05 0.06 0.25 -0.04 3.68 3.90 2yr5A1 PRO 164 HD3 -0.03 0.15 0.27 -0.04 3.65 4.00 2yr5A1 ILE 165 H -0.05 0.53 0.09 -0.55 8.25 8.27 2yr5A1 ILE 165 HA 0.05 0.15 0.64 -0.75 4.18 4.27 2yr5A1 ILE 165 HB 0.13 0.13 -0.01 -0.04 1.89 2.10 2yr5A1 ILE 165 HG12 -0.23 -0.16 -0.66 -0.04 1.49 0.41 2yr5A1 ILE 165 HG13 -0.11 0.12 -0.51 -0.04 1.21 0.67 2yr5A1 ILE 165 HG23 -0.00 -0.03 -0.33 -0.04 0.93 0.53 2yr5A1 ILE 165 HD13 -0.91 -0.04 -0.30 -0.04 0.88 -0.41 2yr5A1 LYS 166 H 0.18 0.16 0.12 -0.55 8.42 8.32 2yr5A1 LYS 166 HA 0.10 0.18 0.86 -0.75 4.32 4.71 2yr5A1 LYS 166 HB2 0.07 -0.05 -0.04 -0.04 1.87 1.81 2yr5A1 LYS 166 HB3 0.03 0.09 0.03 -0.04 1.79 1.89 2yr5A1 LYS 166 HG2 0.03 0.06 -0.13 -0.04 1.46 1.37 2yr5A1 LYS 166 HG3 0.04 -0.08 -0.39 -0.04 1.46 0.98 2yr5A1 LYS 166 HD2 0.02 0.00 -0.06 -0.04 1.69 1.61 2yr5A1 LYS 166 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2yr5A1 LYS 166 HE2 0.00 -0.01 -0.08 -0.04 2.99 2.86 2yr5A1 LYS 166 HE3 0.01 -0.01 -0.12 -0.04 2.99 2.83 2yr5A1 VAL 167 H 0.02 0.15 0.16 -0.55 8.24 8.01 2yr5A1 VAL 167 HA -0.41 0.15 0.71 -0.75 4.13 3.83 2yr5A1 VAL 167 HB -0.08 -0.02 0.14 -0.04 2.12 2.12 2yr5A1 VAL 167 HG13 -0.17 0.04 -0.07 -0.04 0.97 0.73 2yr5A1 VAL 167 HG23 -0.13 -0.00 0.06 -0.04 0.95 0.83 2yr5A1 PHE 168 H -0.01 0.49 0.30 -0.55 8.34 8.57 2yr5A1 PHE 168 HA -0.01 0.12 0.46 -0.75 4.62 4.44 2yr5A1 PHE 168 HB2 -0.01 -0.06 -0.18 -0.04 3.15 2.86 2yr5A1 PHE 168 HB3 -0.05 -0.05 -0.08 -0.04 3.06 2.85 2yr5A1 PHE 168 HD2 -0.01 -0.03 -0.23 -0.04 7.28 6.97 2yr5A1 PHE 168 HE2 -0.16 0.00 -0.15 -0.04 7.38 7.03 2yr5A1 PHE 168 HZ -0.28 -0.02 -0.09 -0.04 7.32 6.88 2yr5A1 PRO 169 HA -0.12 0.08 0.28 -0.51 4.44 4.17 2yr5A1 PRO 169 HB2 -0.13 0.03 0.14 -0.04 2.28 2.27 2yr5A1 PRO 169 HB3 -0.19 0.06 0.07 -0.04 2.02 1.92 2yr5A1 PRO 169 HG2 -0.59 -0.02 0.06 -0.04 2.03 1.43 2yr5A1 PRO 169 HG3 -0.34 0.05 0.10 -0.04 2.03 1.80 2yr5A1 PRO 169 HD2 -1.90 0.02 0.14 -0.04 3.68 1.89 2yr5A1 PRO 169 HD3 -0.46 0.24 0.23 -0.04 3.65 3.61 2yr5A1 ASN 170 H 0.13 0.56 0.14 -0.55 8.53 8.81 2yr5A1 ASN 170 HA 0.47 0.05 0.44 -0.75 4.76 4.97 2yr5A1 ASN 170 HB2 0.11 -0.02 0.14 -0.04 2.88 3.07 2yr5A1 ASN 170 HB3 0.14 0.30 0.11 -0.04 2.79 3.30 2yr5A1 ASN 170 HD21 0.07 -0.14 -0.00 -0.04 7.03 6.91 2yr5A1 ASN 170 HD22 0.06 0.08 0.14 -0.04 7.74 7.98 2yr5A1 PRO 171 HA -0.14 0.05 0.46 -0.51 4.44 4.31 2yr5A1 PRO 171 HB2 -0.04 -0.00 -0.12 -0.04 2.28 2.08 2yr5A1 PRO 171 HB3 -0.07 0.02 -0.01 -0.04 2.02 1.92 2yr5A1 PRO 171 HG2 0.07 -0.18 -0.18 -0.04 2.03 1.70 2yr5A1 PRO 171 HG3 0.03 0.06 -0.07 -0.04 2.03 2.00 2yr5A1 PRO 171 HD2 0.24 0.21 0.18 -0.04 3.68 4.28 2yr5A1 PRO 171 HD3 0.44 0.17 0.12 -0.04 3.65 4.33 2yr5A1 GLY 172 H -0.41 0.25 0.15 -0.55 8.43 7.88 2yr5A1 GLY 172 HA2 -0.39 -0.02 0.33 -0.51 4.01 3.42 2yr5A1 GLY 172 HA3 0.07 0.12 0.62 -0.51 4.01 4.31 2yr5A1 LYS 173 H -0.08 0.50 -0.50 -0.55 8.42 7.79 2yr5A1 LYS 173 HA -0.10 0.04 0.76 -0.75 4.32 4.26 2yr5A1 LYS 173 HB2 -0.05 0.03 0.11 -0.04 1.87 1.92 2yr5A1 LYS 173 HB3 -0.09 -0.02 0.02 -0.04 1.79 1.66 2yr5A1 LYS 173 HG2 -0.02 0.01 -0.07 -0.04 1.46 1.34 2yr5A1 LYS 173 HG3 -0.03 0.08 0.12 -0.04 1.46 1.59 2yr5A1 LYS 173 HD2 -0.08 -0.01 0.05 -0.04 1.69 1.60 2yr5A1 LYS 173 HD3 -0.05 -0.03 -0.03 -0.04 1.68 1.54 2yr5A1 LYS 173 HE2 -0.04 0.03 -0.01 -0.04 2.99 2.92 2yr5A1 LYS 173 HE3 -0.10 -0.01 0.10 -0.04 2.99 2.94 2yr5A1 VAL 174 H -0.19 0.26 0.00 -0.55 8.24 7.77 2yr5A1 VAL 174 HA -0.25 0.17 0.68 -0.75 4.13 3.98 2yr5A1 VAL 174 HB -0.14 0.09 0.10 -0.04 2.12 2.13 2yr5A1 VAL 174 HG13 -0.11 -0.01 -0.08 -0.04 0.97 0.72 2yr5A1 VAL 174 HG23 -0.11 0.03 -0.23 -0.04 0.95 0.60 2yr5A1 PRO 175 HA -0.72 0.17 0.49 -0.51 4.44 3.86 2yr5A1 PRO 175 HB2 -0.12 0.04 -0.09 -0.04 2.28 2.06 2yr5A1 PRO 175 HB3 -0.20 -0.06 -0.02 -0.04 2.02 1.70 2yr5A1 PRO 175 HG2 0.01 0.14 -0.04 -0.04 2.03 2.10 2yr5A1 PRO 175 HG3 -0.48 -0.00 0.02 -0.04 2.03 1.53 2yr5A1 PRO 175 HD2 -0.15 0.20 0.18 -0.04 3.68 3.87 2yr5A1 PRO 175 HD3 -0.25 0.12 0.18 -0.04 3.65 3.66 2yr5A1 THR 176 H -0.54 0.38 0.44 -0.55 8.28 8.01 2yr5A1 THR 176 HA -0.19 0.32 1.09 -0.75 4.39 4.85 2yr5A1 THR 176 HB -1.23 0.01 0.15 -0.04 4.32 3.21 2yr5A1 THR 176 HG23 -0.13 -0.02 -0.21 -0.04 1.22 0.83 2yr5A1 GLU 177 H 0.03 0.53 0.46 -0.55 8.60 9.08 2yr5A1 GLU 177 HA 0.22 0.31 1.21 -0.75 4.29 5.27 2yr5A1 GLU 177 HB2 0.37 0.00 0.11 -0.04 2.09 2.53 2yr5A1 GLU 177 HB3 0.33 -0.03 0.18 -0.04 1.99 2.43 2yr5A1 GLU 177 HG2 0.41 -0.05 -0.23 -0.04 2.34 2.43 2yr5A1 GLU 177 HG3 0.40 0.11 0.11 -0.04 2.34 2.91 2yr5A1 PHE 178 H 0.38 0.66 0.40 -0.55 8.34 9.24 2yr5A1 PHE 178 HA 0.15 0.36 1.04 -0.75 4.62 5.41 2yr5A1 PHE 178 HB2 0.34 0.03 -0.05 -0.04 3.15 3.43 2yr5A1 PHE 178 HB3 0.27 -0.09 0.12 -0.04 3.06 3.31 2yr5A1 PHE 178 HD2 0.18 -0.01 -0.12 -0.04 7.28 7.29 2yr5A1 PHE 178 HE2 0.15 -0.03 -0.40 -0.04 7.38 7.06 2yr5A1 PHE 178 HZ 0.08 0.05 -0.09 -0.04 7.32 7.32 2yr5A1 VAL 179 H -0.35 0.67 0.42 -0.55 8.24 8.43 2yr5A1 VAL 179 HA -0.35 0.37 1.01 -0.75 4.13 4.41 2yr5A1 VAL 179 HB -0.35 -0.15 0.19 -0.04 2.12 1.77 2yr5A1 VAL 179 HG13 -0.47 -0.00 -0.14 -0.04 0.97 0.32 2yr5A1 VAL 179 HG23 -0.15 0.00 -0.18 -0.04 0.95 0.58 2yr5A1 PHE 180 H -0.32 0.69 0.17 -0.55 8.34 8.32 2yr5A1 PHE 180 HA -0.29 0.02 0.74 -0.75 4.62 4.34 2yr5A1 PHE 180 HB2 -0.22 0.07 0.00 -0.04 3.15 2.97 2yr5A1 PHE 180 HB3 -0.16 -0.02 0.08 -0.04 3.06 2.92 2yr5A1 PHE 180 HD2 -0.16 -0.02 -0.02 -0.04 7.28 7.05 2yr5A1 PHE 180 HE2 -0.57 -0.00 -0.05 -0.04 7.38 6.72 2yr5A1 PHE 180 HZ -0.22 -0.01 -0.06 -0.04 7.32 7.00 2yr5A1 GLY 181 H -0.67 0.13 0.11 -0.55 8.43 7.45 2yr5A1 GLY 181 HA2 -0.45 0.07 0.34 -0.51 4.01 3.47 2yr5A1 GLY 181 HA3 -0.63 -0.03 0.41 -0.51 4.01 3.25 2yr5A1 ASN 182 H -0.08 0.07 0.24 -0.55 8.53 8.22 2yr5A1 ASN 182 HA -0.12 0.16 0.66 -0.75 4.76 4.71 2yr5A1 ASN 182 HB2 -0.02 0.02 0.17 -0.04 2.88 3.01 2yr5A1 ASN 182 HB3 -0.03 -0.02 0.12 -0.04 2.79 2.82 2yr5A1 ASN 182 HD21 0.06 -0.03 -0.05 -0.04 7.03 6.97 2yr5A1 ASN 182 HD22 0.03 0.02 -0.03 -0.04 7.74 7.71 2yr5A1 ARG 183 H -0.01 0.59 -0.08 -0.55 8.46 8.42 2yr5A1 ARG 183 HA 0.10 0.10 0.75 -0.75 4.34 4.53 2yr5A1 ARG 183 HB2 0.29 -0.07 0.06 -0.04 1.90 2.14 2yr5A1 ARG 183 HB3 0.25 0.05 0.14 -0.04 1.80 2.20 2yr5A1 ARG 183 HG2 0.36 -0.09 -0.08 -0.04 1.67 1.82 2yr5A1 ARG 183 HG3 0.30 0.05 -0.35 -0.04 1.67 1.64 2yr5A1 ARG 183 HD2 0.17 0.05 0.12 -0.04 3.22 3.52 2yr5A1 ARG 183 HD3 0.22 -0.05 0.03 -0.04 3.22 3.37 2yr5A1 VAL 184 H 0.10 0.21 0.29 -0.55 8.24 8.28 2yr5A1 VAL 184 HA 0.05 0.39 1.12 -0.75 4.13 4.94 2yr5A1 VAL 184 HB 0.08 -0.07 0.14 -0.04 2.12 2.22 2yr5A1 VAL 184 HG13 0.31 -0.01 -0.08 -0.04 0.97 1.15 2yr5A1 VAL 184 HG23 -0.25 0.02 -0.14 -0.04 0.95 0.54 2yr5A1 ASP 185 H 0.32 0.67 0.42 -0.55 8.40 9.27 2yr5A1 ASP 185 HA 0.28 0.11 0.84 -0.75 4.63 5.10 2yr5A1 ASP 185 HB2 0.41 -0.00 0.01 -0.04 2.71 3.09 2yr5A1 ASP 185 HB3 0.05 0.05 -0.01 -0.04 2.70 2.75 2yr5A1 ARG 186 H 0.18 0.14 0.26 -0.55 8.46 8.49 2yr5A1 ARG 186 HA 0.11 0.48 1.05 -0.75 4.34 5.23 2yr5A1 ARG 186 HB2 0.18 -0.09 0.17 -0.04 1.90 2.11 2yr5A1 ARG 186 HB3 0.15 0.08 0.04 -0.04 1.80 2.03 2yr5A1 ARG 186 HG2 0.19 0.08 0.07 -0.04 1.67 1.96 2yr5A1 ARG 186 HG3 0.25 -0.11 -0.32 -0.04 1.67 1.45 2yr5A1 ARG 186 HD2 0.12 -0.04 -0.03 -0.04 3.22 3.24 2yr5A1 ARG 186 HD3 0.06 0.07 -0.06 -0.04 3.22 3.25 2yr5A1 TYR 187 H -0.33 0.53 0.40 -0.55 8.29 8.34 2yr5A1 TYR 187 HA -0.27 0.28 1.02 -0.75 4.56 4.84 2yr5A1 TYR 187 HB2 -1.92 0.16 -0.10 -0.04 3.06 1.16 2yr5A1 TYR 187 HB3 -1.88 -0.14 -0.38 -0.04 2.98 0.54 2yr5A1 TYR 187 HD2 -0.32 0.09 -0.33 -0.04 7.15 6.55 2yr5A1 TYR 187 HE2 0.04 0.00 -0.22 -0.04 6.85 6.62 2yr5A1 VAL 188 H -0.14 0.55 0.19 -0.55 8.24 8.29 2yr5A1 VAL 188 HA -0.55 0.13 0.50 -0.75 4.13 3.46 2yr5A1 VAL 188 HB -0.63 -0.04 0.09 -0.04 2.12 1.50 2yr5A1 VAL 188 HG13 -0.32 0.03 -0.16 -0.04 0.97 0.48 2yr5A1 VAL 188 HG23 -1.95 -0.01 -0.30 -0.04 0.95 -1.36 2yr5A1 GLY 189 H -0.01 0.48 0.23 -0.55 8.43 8.58 2yr5A1 GLY 189 HA2 0.17 0.07 0.29 -0.51 4.01 4.03 2yr5A1 GLY 189 HA3 0.16 -0.05 0.30 -0.51 4.01 3.90 2yr5A1 SER 190 H 0.22 0.05 0.15 -0.55 8.46 8.34 2yr5A1 SER 190 HA 0.41 0.21 0.78 -0.75 4.49 5.13 2yr5A1 SER 190 HB2 0.11 -0.00 -0.02 -0.04 3.95 4.00 2yr5A1 SER 190 HB3 0.05 -0.00 0.07 -0.04 3.93 4.01 2yr5A1 ASP 191 H 0.24 0.07 0.07 -0.55 8.40 8.23 2yr5A1 ASP 191 HA 0.06 0.19 0.75 -0.75 4.63 4.88 2yr5A1 ASP 191 HB2 0.12 0.03 0.13 -0.04 2.71 2.95 2yr5A1 ASP 191 HB3 0.20 0.01 0.15 -0.04 2.70 3.02 2yr5A1 PRO 192 HA -0.06 0.08 0.41 -0.51 4.44 4.36 2yr5A1 PRO 192 HB2 0.00 0.01 0.05 -0.04 2.28 2.30 2yr5A1 PRO 192 HB3 -0.13 0.17 0.20 -0.04 2.02 2.22 2yr5A1 PRO 192 HG2 -0.00 -0.02 0.11 -0.04 2.03 2.08 2yr5A1 PRO 192 HG3 -0.07 0.08 0.12 -0.04 2.03 2.12 2yr5A1 PRO 192 HD2 0.01 0.03 0.29 -0.04 3.68 3.96 2yr5A1 PRO 192 HD3 -0.09 0.29 0.27 -0.04 3.65 4.08 2yr5A1 LYS 193 H 0.11 0.07 -0.33 -0.55 8.42 7.72 2yr5A1 LYS 193 HA 0.12 0.11 0.44 -0.75 4.32 4.23 2yr5A1 LYS 193 HB2 0.12 -0.01 -0.01 -0.04 1.87 1.93 2yr5A1 LYS 193 HB3 0.08 0.03 0.07 -0.04 1.79 1.93 2yr5A1 LYS 193 HG2 0.06 -0.02 0.03 -0.04 1.46 1.49 2yr5A1 LYS 193 HG3 0.05 0.01 0.02 -0.04 1.46 1.50 2yr5A1 LYS 193 HD2 0.05 0.04 -0.03 -0.04 1.69 1.71 2yr5A1 LYS 193 HD3 0.08 -0.09 -0.30 -0.04 1.68 1.33 2yr5A1 LYS 193 HE2 0.02 -0.00 -0.01 -0.04 2.99 2.96 2yr5A1 LYS 193 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2yr5A1 ASP 194 H 0.36 0.51 -0.43 -0.55 8.40 8.29 2yr5A1 ASP 194 HA 0.43 0.14 0.70 -0.75 4.63 5.14 2yr5A1 ASP 194 HB2 0.45 0.20 0.11 -0.04 2.71 3.43 2yr5A1 ASP 194 HB3 0.60 -0.07 0.20 -0.04 2.70 3.38 2yr5A1 TRP 195 H 0.55 0.40 -0.27 -0.55 7.97 8.11 2yr5A1 TRP 195 HA 0.33 0.14 0.93 -0.75 4.62 5.27 2yr5A1 TRP 195 HB2 0.12 0.11 0.01 -0.04 3.23 3.43 2yr5A1 TRP 195 HB3 0.14 -0.11 -0.17 -0.04 3.23 3.05 2yr5A1 TRP 195 HD1 0.18 0.10 -0.43 -0.04 7.22 7.03 2yr5A1 TRP 195 HE1 0.13 0.39 -0.17 -0.04 10.20 10.51 2yr5A1 TRP 195 HE3 0.05 0.00 0.02 -0.04 7.59 7.62 2yr5A1 TRP 195 HZ2 -0.38 0.09 -0.13 -0.04 7.44 6.97 2yr5A1 TRP 195 HZ3 -0.16 -0.13 -0.08 -0.04 7.13 6.72 2yr5A1 TRP 195 HH2 -0.97 -0.02 -0.21 -0.04 7.19 5.94 2yr5A1 GLU 196 H 0.26 0.65 0.35 -0.55 8.60 9.31 2yr5A1 GLU 196 HA 0.16 0.10 0.44 -0.75 4.29 4.24 2yr5A1 GLU 196 HB2 0.18 0.06 0.18 -0.04 2.09 2.47 2yr5A1 GLU 196 HB3 0.21 -0.15 0.24 -0.04 1.99 2.24 2yr5A1 GLU 196 HG2 0.14 -0.02 -0.09 -0.04 2.34 2.32 2yr5A1 GLU 196 HG3 0.10 0.02 0.11 -0.04 2.34 2.52 2yr5A1 ASP 197 H 0.35 0.06 -0.11 -0.55 8.40 8.16 2yr5A1 ASP 197 HA 0.16 0.24 0.85 -0.75 4.63 5.13 2yr5A1 ASP 197 HB2 0.19 0.06 0.08 -0.04 2.71 3.00 2yr5A1 ASP 197 HB3 0.27 -0.06 0.23 -0.04 2.70 3.10 2yr5A1 PRO 198 HA 0.10 0.11 0.51 -0.51 4.44 4.66 2yr5A1 PRO 198 HB2 0.03 -0.03 -0.01 -0.04 2.28 2.22 2yr5A1 PRO 198 HB3 0.10 0.25 0.04 -0.04 2.02 2.36 2yr5A1 PRO 198 HG2 0.06 -0.05 0.03 -0.04 2.03 2.02 2yr5A1 PRO 198 HG3 0.07 0.06 0.04 -0.04 2.03 2.16 2yr5A1 PRO 198 HD2 0.11 0.04 0.21 -0.04 3.68 4.00 2yr5A1 PRO 198 HD3 0.14 0.39 -0.04 -0.04 3.65 4.10 2yr5A1 ASP 199 H 0.07 0.08 -0.35 -0.55 8.40 7.65 2yr5A1 ASP 199 HA -0.02 0.18 0.59 -0.75 4.63 4.62 2yr5A1 ASP 199 HB2 0.04 -0.02 0.02 -0.04 2.71 2.72 2yr5A1 ASP 199 HB3 0.02 0.02 0.13 -0.04 2.70 2.83 2yr5A1 SER 200 H 0.02 0.39 -0.43 -0.55 8.46 7.89 2yr5A1 SER 200 HA 0.11 0.07 0.24 -0.75 4.49 4.15 2yr5A1 SER 200 HB2 0.31 0.18 0.19 -0.04 3.95 4.59 2yr5A1 SER 200 HB3 -0.11 -0.01 0.13 -0.04 3.93 3.89 2yr5A1 PRO 201 HA 0.08 0.17 0.54 -0.51 4.44 4.71 2yr5A1 PRO 201 HB2 0.28 0.00 -0.06 -0.04 2.28 2.46 2yr5A1 PRO 201 HB3 0.20 0.10 0.13 -0.04 2.02 2.41 2yr5A1 PRO 201 HG2 0.21 -0.01 0.06 -0.04 2.03 2.24 2yr5A1 PRO 201 HG3 0.14 0.06 0.09 -0.04 2.03 2.28 2yr5A1 PRO 201 HD2 0.15 0.06 0.23 -0.04 3.68 4.08 2yr5A1 PRO 201 HD3 0.10 0.24 0.19 -0.04 3.65 4.14 2yr5A1 THR 202 H 0.09 0.13 -0.23 -0.55 8.28 7.73 2yr5A1 THR 202 HA -0.05 0.07 0.44 -0.75 4.39 4.09 2yr5A1 THR 202 HB 0.13 0.01 -0.04 -0.04 4.32 4.39 2yr5A1 THR 202 HG23 -0.77 0.02 -0.16 -0.04 1.22 0.27 2yr5A1 LEU 203 H -0.44 0.14 -0.22 -0.55 8.37 7.30 2yr5A1 LEU 203 HA -0.76 0.08 0.39 -0.75 4.35 3.31 2yr5A1 LEU 203 HB2 -2.24 -0.04 0.03 -0.04 1.64 -0.65 2yr5A1 LEU 203 HB3 -0.72 0.15 0.03 -0.04 1.64 1.05 2yr5A1 LEU 203 HG -0.55 -0.01 -0.10 -0.04 1.64 0.95 2yr5A1 LEU 203 HD13 -0.68 0.03 0.03 -0.04 0.93 0.28 2yr5A1 LEU 203 HD23 -1.03 0.05 -0.06 -0.04 0.89 -0.19 2yr5A1 LYS 204 H -0.21 0.35 -0.29 -0.55 8.42 7.71 2yr5A1 LYS 204 HA -0.17 0.07 0.46 -0.75 4.32 3.93 2yr5A1 LYS 204 HB2 -0.09 0.10 0.08 -0.04 1.87 1.92 2yr5A1 LYS 204 HB3 -0.06 0.04 0.12 -0.04 1.79 1.86 2yr5A1 LYS 204 HG2 -0.13 -0.06 -0.14 -0.04 1.46 1.09 2yr5A1 LYS 204 HG3 -0.10 -0.02 0.05 -0.04 1.46 1.35 2yr5A1 LYS 204 HD2 -0.02 -0.08 0.05 -0.04 1.69 1.61 2yr5A1 LYS 204 HD3 -0.07 0.29 0.13 -0.04 1.68 1.98 2yr5A1 LYS 204 HE2 -0.02 -0.01 0.03 -0.04 2.99 2.94 2yr5A1 LYS 204 HE3 -0.06 -0.02 0.02 -0.04 2.99 2.89 2yr5A1 VAL 205 H -0.08 0.60 -0.10 -0.55 8.24 8.11 2yr5A1 VAL 205 HA -0.16 0.04 0.49 -0.75 4.13 3.75 2yr5A1 VAL 205 HB 0.05 0.07 0.14 -0.04 2.12 2.35 2yr5A1 VAL 205 HG13 0.10 0.00 0.01 -0.04 0.97 1.05 2yr5A1 VAL 205 HG23 -0.01 -0.01 0.01 -0.04 0.95 0.91 2yr5A1 LEU 206 H -0.18 0.57 -0.22 -0.55 8.37 8.00 2yr5A1 LEU 206 HA 0.02 -0.03 0.47 -0.75 4.35 4.06 2yr5A1 LEU 206 HB2 -0.22 0.01 0.08 -0.04 1.64 1.47 2yr5A1 LEU 206 HB3 -0.23 0.16 0.15 -0.04 1.64 1.67 2yr5A1 LEU 206 HG 0.01 -0.03 -0.28 -0.04 1.64 1.30 2yr5A1 LEU 206 HD13 0.25 -0.01 0.02 -0.04 0.93 1.15 2yr5A1 LEU 206 HD23 0.11 0.01 -0.09 -0.04 0.89 0.88 2yr5A1 GLY 207 H -0.15 0.52 -0.24 -0.55 8.43 8.01 2yr5A1 GLY 207 HA2 -0.07 -0.00 0.32 -0.51 4.01 3.75 2yr5A1 GLY 207 HA3 -0.11 0.10 0.31 -0.51 4.01 3.81 2yr5A1 VAL 208 H -0.13 0.46 -0.22 -0.55 8.24 7.80 2yr5A1 VAL 208 HA -0.09 0.03 0.41 -0.75 4.13 3.72 2yr5A1 VAL 208 HB -0.16 0.08 0.15 -0.04 2.12 2.14 2yr5A1 VAL 208 HG13 -0.12 -0.03 -0.18 -0.04 0.97 0.61 2yr5A1 VAL 208 HG23 -0.13 0.03 -0.05 -0.04 0.95 0.76 2yr5A1 VAL 209 H -0.23 0.65 -0.09 -0.55 8.24 8.02 2yr5A1 VAL 209 HA -0.19 0.02 0.43 -0.75 4.13 3.63 2yr5A1 VAL 209 HB -0.94 0.10 0.12 -0.04 2.12 1.36 2yr5A1 VAL 209 HG13 -0.75 -0.02 -0.10 -0.04 0.97 0.06 2yr5A1 VAL 209 HG23 -0.43 0.01 0.00 -0.04 0.95 0.49 2yr5A1 ALA 210 H -0.11 0.77 0.03 -0.55 8.40 8.54 2yr5A1 ALA 210 HA 0.11 -0.03 0.51 -0.75 4.34 4.17 2yr5A1 ALA 210 HB3 0.06 0.03 0.07 -0.04 1.41 1.53 2yr5A1 GLY 211 H -0.04 0.65 -0.22 -0.55 8.43 8.28 2yr5A1 GLY 211 HA2 -0.00 -0.04 0.45 -0.51 4.01 3.90 2yr5A1 GLY 211 HA3 -0.03 0.14 0.31 -0.51 4.01 3.92 2yr5A1 GLY 212 H -0.04 0.50 -0.25 -0.55 8.43 8.10 2yr5A1 GLY 212 HA2 -0.03 0.10 0.39 -0.51 4.01 3.96 2yr5A1 GLY 212 HA3 -0.03 0.04 0.34 -0.51 4.01 3.85 2yr5A1 LEU 213 H 0.05 0.42 -0.19 -0.55 8.37 8.11 2yr5A1 LEU 213 HA 0.17 0.06 0.82 -0.75 4.35 4.65 2yr5A1 LEU 213 HB2 0.16 0.08 0.15 -0.04 1.64 1.98 2yr5A1 LEU 213 HB3 0.13 -0.05 -0.02 -0.04 1.64 1.66 2yr5A1 LEU 213 HG 0.11 0.05 -0.05 -0.04 1.64 1.70 2yr5A1 LEU 213 HD13 0.29 -0.02 -0.08 -0.04 0.93 1.07 2yr5A1 LEU 213 HD23 0.15 -0.02 -0.04 -0.04 0.89 0.94 2yr5A1 VAL 214 H 0.07 0.69 0.15 -0.55 8.24 8.60 2yr5A1 VAL 214 HA 0.06 0.04 0.63 -0.75 4.13 4.11 2yr5A1 VAL 214 HB 0.06 0.16 0.14 -0.04 2.12 2.43 2yr5A1 VAL 214 HG13 0.05 -0.01 -0.08 -0.04 0.97 0.90 2yr5A1 VAL 214 HG23 0.11 -0.02 0.05 -0.04 0.95 1.05 2yr5A1 GLY 215 H 0.03 0.29 0.09 -0.55 8.43 8.29 2yr5A1 GLY 215 HA2 0.01 0.13 0.32 -0.51 4.01 3.96 2yr5A1 GLY 215 HA3 0.02 -0.14 0.57 -0.51 4.01 3.95 2yr5A1 ASN 216 H 0.01 0.07 0.22 -0.55 8.53 8.28 2yr5A1 ASN 216 HA 0.01 0.25 0.88 -0.75 4.76 5.14 2yr5A1 ASN 216 HB2 -0.00 0.14 0.06 -0.04 2.88 3.03 2yr5A1 ASN 216 HB3 0.00 0.06 0.03 -0.04 2.79 2.85 2yr5A1 ASN 216 HD21 -0.01 -0.05 -0.04 -0.04 7.03 6.89 2yr5A1 ASN 216 HD22 -0.01 0.24 0.01 -0.04 7.74 7.95 2yr5A1 PRO 217 HA 0.01 0.04 0.28 -0.51 4.44 4.26 2yr5A1 PRO 217 HB2 0.01 0.02 -0.07 -0.04 2.28 2.19 2yr5A1 PRO 217 HB3 0.01 0.10 -0.01 -0.04 2.02 2.08 2yr5A1 PRO 217 HG2 0.01 -0.00 0.04 -0.04 2.03 2.03 2yr5A1 PRO 217 HG3 0.01 0.07 0.04 -0.04 2.03 2.11 2yr5A1 PRO 217 HD2 0.01 0.09 0.23 -0.04 3.68 3.96 2yr5A1 PRO 217 HD3 0.01 0.21 0.14 -0.04 3.65 3.97 2yr5A1 GLN 218 H 0.00 0.16 -0.17 -0.55 8.47 7.92 2yr5A1 GLN 218 HA -0.00 0.17 0.77 -0.75 4.36 4.55 2yr5A1 GLN 218 HB2 0.00 -0.03 -0.03 -0.04 2.15 2.05 2yr5A1 GLN 218 HB3 -0.00 -0.05 0.01 -0.04 2.02 1.94 2yr5A1 GLN 218 HG2 0.00 0.07 -0.01 -0.04 2.40 2.42 2yr5A1 GLN 218 HG3 0.00 -0.04 -0.40 -0.04 2.39 1.92 2yr5A1 GLN 218 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 2yr5A1 GLN 218 HE22 0.00 0.05 -0.06 -0.04 7.69 7.63 2yr5A1 GLY 219 H -0.00 0.10 0.09 -0.55 8.43 8.07 2yr5A1 GLY 219 HA2 -0.00 -0.02 0.30 -0.51 4.01 3.78 2yr5A1 GLY 219 HA3 -0.00 0.07 0.51 -0.51 4.01 4.08 2yr5A1 GLU 220 H -0.01 0.07 0.13 -0.55 8.60 8.25 2yr5A1 GLU 220 HA -0.01 -0.02 0.39 -0.75 4.29 3.90 2yr5A1 GLU 220 HB2 -0.01 -0.04 0.11 -0.04 2.09 2.12 2yr5A1 GLU 220 HB3 -0.01 -0.00 0.01 -0.04 1.99 1.95 2yr5A1 GLU 220 HG2 -0.01 0.19 -0.33 -0.04 2.34 2.15 2yr5A1 GLU 220 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 2yr5A1 ASN 221 H -0.01 0.11 0.19 -0.55 8.53 8.27 2yr5A1 ASN 221 HA -0.00 -0.00 0.80 -0.75 4.76 4.80 2yr5A1 ASN 221 HB2 -0.00 0.03 0.21 -0.04 2.88 3.07 2yr5A1 ASN 221 HB3 0.00 0.00 0.04 -0.04 2.79 2.79 2yr5A1 ASN 221 HD21 -0.01 0.02 0.08 -0.04 7.03 7.09 2yr5A1 ASN 221 HD22 -0.00 0.00 0.12 -0.04 7.74 7.81 2yr5A1 VAL 222 H -0.01 0.04 0.21 -0.55 8.24 7.93 2yr5A1 VAL 222 HA -0.02 0.23 0.85 -0.75 4.13 4.43 2yr5A1 VAL 222 HB -0.03 0.00 0.06 -0.04 2.12 2.12 2yr5A1 VAL 222 HG13 -0.02 0.03 -0.27 -0.04 0.97 0.68 2yr5A1 VAL 222 HG23 -0.01 0.03 -0.05 -0.04 0.95 0.87 2yr5A1 ALA 223 H -0.00 -0.11 0.03 -0.55 8.40 7.77 2yr5A1 ALA 223 HA -0.02 0.23 0.61 -0.75 4.34 4.41 2yr5A1 ALA 223 HB3 0.04 -0.01 -0.25 -0.04 1.41 1.15 2yr5A1 MET 224 H -0.09 0.76 0.33 -0.55 8.47 8.92 2yr5A1 MET 224 HA -0.21 0.10 0.42 -0.75 4.52 4.08 2yr5A1 MET 224 HB2 -0.25 -0.02 0.11 -0.04 2.15 1.95 2yr5A1 MET 224 HB3 -0.49 0.08 0.13 -0.04 2.03 1.71 2yr5A1 MET 224 HG2 -1.90 -0.02 -0.15 -0.04 2.63 0.51 2yr5A1 MET 224 HG3 -0.53 0.00 0.08 -0.04 2.56 2.07 2yr5A1 MET 224 HE3 -0.12 0.02 -0.01 -0.04 2.10 1.95 2yr5A1 TYR 225 H 0.01 0.19 -0.20 -0.55 8.29 7.74 2yr5A1 TYR 225 HA -0.03 0.19 0.86 -0.75 4.56 4.84 2yr5A1 TYR 225 HB2 0.01 0.01 0.18 -0.04 3.06 3.21 2yr5A1 TYR 225 HB3 -0.48 0.00 0.06 -0.04 2.98 2.52 2yr5A1 TYR 225 HD2 -0.41 0.07 -0.01 -0.04 7.15 6.76 2yr5A1 TYR 225 HE2 -0.08 -0.01 -0.05 -0.04 6.85 6.67 2yr5A1 PRO 226 HA 0.14 0.16 0.34 -0.51 4.44 4.57 2yr5A1 PRO 226 HB2 0.10 -0.21 -0.27 -0.04 2.28 1.86 2yr5A1 PRO 226 HB3 0.06 0.04 -0.36 -0.04 2.02 1.73 2yr5A1 PRO 226 HG2 0.11 -0.05 -0.07 -0.04 2.03 1.99 2yr5A1 PRO 226 HG3 0.05 0.09 -0.15 -0.04 2.03 1.98 2yr5A1 PRO 226 HD2 0.15 0.09 0.09 -0.04 3.68 3.98 2yr5A1 PRO 226 HD3 0.02 0.26 -0.50 -0.04 3.65 3.40 2yr5A1 ILE 227 H 0.11 0.65 0.20 -0.55 8.25 8.66 2yr5A1 ILE 227 HA 0.30 0.14 0.74 -0.75 4.18 4.61 2yr5A1 ILE 227 HB 0.05 0.02 0.07 -0.04 1.89 1.99 2yr5A1 ILE 227 HG12 -0.16 -0.01 -0.01 -0.04 1.49 1.27 2yr5A1 ILE 227 HG13 0.05 0.09 -0.24 -0.04 1.21 1.07 2yr5A1 ILE 227 HG23 0.19 0.01 -0.13 -0.04 0.93 0.95 2yr5A1 ILE 227 HD13 -0.07 -0.01 0.01 -0.04 0.88 0.76 2yr5A1 ALA 228 H 0.11 0.21 0.06 -0.55 8.40 8.23 2yr5A1 ALA 228 HA -0.56 0.03 0.27 -0.75 4.34 3.32 2yr5A1 ALA 228 HB3 -0.65 0.04 -0.01 -0.04 1.41 0.75 2yr5A1 ASN 229 H 0.03 0.06 -0.48 -0.55 8.53 7.59 2yr5A1 ASN 229 HA 0.03 0.01 0.13 -0.75 4.76 4.18 2yr5A1 ASN 229 HB2 -0.03 0.14 0.06 -0.04 2.88 3.01 2yr5A1 ASN 229 HB3 0.01 -0.02 0.12 -0.04 2.79 2.85 2yr5A1 ASN 229 HD21 0.07 -0.03 -0.16 -0.04 7.03 6.88 2yr5A1 ASN 229 HD22 -0.03 0.11 -0.23 -0.04 7.74 7.55 2yr5A1 VAL 230 H -0.01 0.47 -0.47 -0.55 8.24 7.69 2yr5A1 VAL 230 HA 0.00 0.15 0.87 -0.75 4.13 4.40 2yr5A1 VAL 230 HB -0.01 -0.08 0.11 -0.04 2.12 2.10 2yr5A1 VAL 230 HG13 -0.03 0.03 -0.18 -0.04 0.97 0.75 2yr5A1 VAL 230 HG23 -0.04 0.05 -0.14 -0.04 0.95 0.78 2yr5A1 ASP 231 H 0.01 0.14 0.15 -0.55 8.40 8.15 2yr5A1 ASP 231 HA 0.04 0.13 0.38 -0.75 4.63 4.42 2yr5A1 ASP 231 HB2 0.01 0.14 0.18 -0.04 2.71 3.00 2yr5A1 ASP 231 HB3 0.02 0.22 0.13 -0.04 2.70 3.02 2yr5A1 PRO 232 HA 0.01 -0.02 0.46 -0.51 4.44 4.38 2yr5A1 PRO 232 HB2 0.04 0.08 0.17 -0.04 2.28 2.52 2yr5A1 PRO 232 HB3 0.00 -0.04 0.14 -0.04 2.02 2.08 2yr5A1 PRO 232 HG2 0.09 0.31 0.21 -0.04 2.03 2.60 2yr5A1 PRO 232 HG3 0.07 0.02 0.14 -0.04 2.03 2.21 2yr5A1 PRO 232 HD2 0.06 0.15 0.02 -0.04 3.68 3.87 2yr5A1 PRO 232 HD3 0.08 0.10 0.14 -0.04 3.65 3.93 2yr5A1 ALA 233 H 0.02 0.57 -0.21 -0.55 8.40 8.23 2yr5A1 ALA 233 HA 0.02 0.05 0.28 -0.75 4.34 3.93 2yr5A1 ALA 233 HB3 0.02 0.02 -0.38 -0.04 1.41 1.03 2yr5A1 LYS 234 H 0.01 0.33 -0.37 -0.55 8.42 7.83 2yr5A1 LYS 234 HA 0.00 0.10 0.57 -0.75 4.32 4.24 2yr5A1 LYS 234 HB2 -0.01 0.11 0.06 -0.04 1.87 1.99 2yr5A1 LYS 234 HB3 -0.01 -0.05 0.03 -0.04 1.79 1.72 2yr5A1 LYS 234 HG2 -0.00 0.23 0.07 -0.04 1.46 1.72 2yr5A1 LYS 234 HG3 0.00 0.09 0.06 -0.04 1.46 1.57 2yr5A1 LYS 234 HD2 -0.00 -0.21 0.05 -0.04 1.69 1.49 2yr5A1 LYS 234 HD3 -0.01 -0.04 -0.00 -0.04 1.68 1.59 2yr5A1 LYS 234 HE2 -0.00 -0.04 -0.08 -0.04 2.99 2.82 2yr5A1 LYS 234 HE3 -0.00 -0.02 -0.31 -0.04 2.99 2.62 2yr5A1 ILE 235 H -0.01 0.33 -0.15 -0.55 8.25 7.87 2yr5A1 ILE 235 HA -0.03 0.02 0.56 -0.75 4.18 3.97 2yr5A1 ILE 235 HB -0.03 0.11 0.14 -0.04 1.89 2.06 2yr5A1 ILE 235 HG12 -0.02 0.10 -0.09 -0.04 1.49 1.45 2yr5A1 ILE 235 HG13 -0.00 -0.08 -0.08 -0.04 1.21 1.01 2yr5A1 ILE 235 HG23 -0.07 -0.02 -0.09 -0.04 0.93 0.71 2yr5A1 ILE 235 HD13 -0.04 0.01 -0.12 -0.04 0.88 0.68 2yr5A1 ALA 236 H -0.00 0.60 -0.03 -0.55 8.40 8.42 2yr5A1 ALA 236 HA 0.03 0.01 0.44 -0.75 4.34 4.07 2yr5A1 ALA 236 HB3 0.05 0.05 0.13 -0.04 1.41 1.60 2yr5A1 ALA 237 H 0.01 0.35 -0.39 -0.55 8.40 7.82 2yr5A1 ALA 237 HA 0.03 0.04 0.33 -0.75 4.34 3.98 2yr5A1 ALA 237 HB3 0.01 0.03 0.09 -0.04 1.41 1.49 2yr5A1 ILE 238 H -0.02 0.31 -0.29 -0.55 8.25 7.71 2yr5A1 ILE 238 HA -0.02 -0.00 0.59 -0.75 4.18 3.99 2yr5A1 ILE 238 HB -0.03 0.14 0.19 -0.04 1.89 2.15 2yr5A1 ILE 238 HG12 -0.01 -0.08 0.03 -0.04 1.49 1.39 2yr5A1 ILE 238 HG13 -0.01 0.15 0.08 -0.04 1.21 1.39 2yr5A1 ILE 238 HG23 -0.02 -0.03 -0.12 -0.04 0.93 0.72 2yr5A1 ILE 238 HD13 -0.01 -0.04 -0.01 -0.04 0.88 0.78 2yr5A1 LEU 239 H -0.08 0.54 0.02 -0.55 8.37 8.31 2yr5A1 LEU 239 HA -0.19 0.03 0.43 -0.75 4.35 3.87 2yr5A1 LEU 239 HB2 -0.20 0.07 0.13 -0.04 1.64 1.60 2yr5A1 LEU 239 HB3 -0.68 0.16 0.12 -0.04 1.64 1.20 2yr5A1 LEU 239 HG -0.16 0.04 0.03 -0.04 1.64 1.50 2yr5A1 LEU 239 HD13 -0.31 -0.03 -0.05 -0.04 0.93 0.50 2yr5A1 LEU 239 HD23 -0.24 0.00 -0.09 -0.04 0.89 0.53 2yr5A1 ASN 240 H -0.01 0.33 -0.46 -0.55 8.53 7.84 2yr5A1 ASN 240 HA 0.05 0.09 0.62 -0.75 4.76 4.78 2yr5A1 ASN 240 HB2 0.26 0.05 0.04 -0.04 2.88 3.19 2yr5A1 ASN 240 HB3 0.08 -0.00 0.03 -0.04 2.79 2.86 2yr5A1 ASN 240 HD21 0.05 0.05 0.06 -0.04 7.03 7.16 2yr5A1 ASN 240 HD22 0.06 -0.04 0.01 -0.04 7.74 7.73 2yr5A1 ALA 241 H -0.02 0.42 -0.39 -0.55 8.40 7.86 2yr5A1 ALA 241 HA 0.01 -0.02 0.25 -0.75 4.34 3.83 2yr5A1 ALA 241 HB3 -0.01 -0.01 0.02 -0.04 1.41 1.37 2yr5A1 ALA 242 H 0.01 0.04 0.15 -0.55 8.40 8.05 2yr5A1 ALA 242 HA 0.01 0.13 0.48 -0.75 4.34 4.21 2yr5A1 ALA 242 HB3 0.00 -0.05 0.01 -0.04 1.41 1.33 2yr5A1 THR 243 H 0.00 0.01 -0.00 -0.55 8.28 7.74 2yr5A1 THR 243 HA -0.00 0.29 0.40 -0.75 4.39 4.33 2yr5A1 THR 243 HB -0.00 0.00 -0.01 -0.04 4.32 4.27 2yr5A1 THR 243 HG23 -0.00 0.01 -0.20 -0.04 1.22 0.99 2yr5A1 PRO 244 HA -0.00 0.06 0.02 -0.51 4.44 4.00 2yr5A1 PRO 244 HB2 -0.01 -0.01 -0.01 -0.04 2.28 2.21 2yr5A1 PRO 244 HB3 -0.01 0.08 0.07 -0.04 2.02 2.11 2yr5A1 PRO 244 HG2 -0.01 -0.04 -0.15 -0.04 2.03 1.78 2yr5A1 PRO 244 HG3 -0.03 0.25 -0.02 -0.04 2.03 2.19 2yr5A1 PRO 244 HD2 -0.01 0.11 -0.11 -0.04 3.68 3.63 2yr5A1 PRO 244 HD3 -0.01 0.33 -0.44 -0.04 3.65 3.49 2yr5A1 PRO 245 HA 0.01 0.06 0.63 -0.51 4.44 4.62 2yr5A1 PRO 245 HB2 0.02 -0.14 0.21 -0.04 2.28 2.32 2yr5A1 PRO 245 HB3 0.01 0.04 0.18 -0.04 2.02 2.21 2yr5A1 PRO 245 HG2 0.01 0.05 0.11 -0.04 2.03 2.15 2yr5A1 PRO 245 HG3 0.01 0.09 0.11 -0.04 2.03 2.20 2yr5A1 PRO 245 HD2 0.00 0.09 0.21 -0.04 3.68 3.95 2yr5A1 PRO 245 HD3 0.00 0.21 0.15 -0.04 3.65 3.97 2yr5A1 ALA 246 H 0.00 0.26 0.21 -0.55 8.40 8.33 2yr5A1 ALA 246 HA 0.00 0.18 0.60 -0.75 4.34 4.37 2yr5A1 ALA 246 HB3 0.00 0.03 0.05 -0.04 1.41 1.45 2yr5A1 ASP 247 H 0.01 0.09 -0.14 -0.55 8.40 7.81 2yr5A1 ASP 247 HA 0.02 0.15 0.58 -0.75 4.63 4.62 2yr5A1 ASP 247 HB2 0.02 0.05 0.07 -0.04 2.71 2.81 2yr5A1 ASP 247 HB3 0.02 -0.02 0.07 -0.04 2.70 2.73 2yr5A1 ALA 248 H 0.02 0.08 -0.31 -0.55 8.40 7.65 2yr5A1 ALA 248 HA 0.07 0.01 0.35 -0.75 4.34 4.02 2yr5A1 ALA 248 HB3 0.03 0.05 0.10 -0.04 1.41 1.54 2yr5A1 LEU 249 H 0.01 0.43 -0.20 -0.55 8.37 8.07 2yr5A1 LEU 249 HA 0.01 0.03 0.42 -0.75 4.35 4.04 2yr5A1 LEU 249 HB2 0.00 0.04 0.09 -0.04 1.64 1.74 2yr5A1 LEU 249 HB3 -0.01 0.14 -0.07 -0.04 1.64 1.66 2yr5A1 LEU 249 HG -0.01 -0.04 -0.02 -0.04 1.64 1.53 2yr5A1 LEU 249 HD13 -0.02 0.05 -0.01 -0.04 0.93 0.91 2yr5A1 LEU 249 HD23 -0.06 0.06 -0.05 -0.04 0.89 0.80 2yr5A1 GLU 250 H 0.02 0.56 -0.19 -0.55 8.60 8.44 2yr5A1 GLU 250 HA 0.03 0.06 0.48 -0.75 4.29 4.11 2yr5A1 GLU 250 HB2 0.02 0.07 0.10 -0.04 2.09 2.24 2yr5A1 GLU 250 HB3 0.02 0.02 0.15 -0.04 1.99 2.14 2yr5A1 GLU 250 HG2 0.02 0.01 0.04 -0.04 2.34 2.36 2yr5A1 GLU 250 HG3 0.01 0.00 -0.01 -0.04 2.34 2.31 2yr5A1 ARG 251 H 0.05 0.59 -0.19 -0.55 8.46 8.36 2yr5A1 ARG 251 HA -0.04 0.02 0.49 -0.75 4.34 4.06 2yr5A1 ARG 251 HB2 0.16 0.13 0.13 -0.04 1.90 2.28 2yr5A1 ARG 251 HB3 0.01 -0.10 0.04 -0.04 1.80 1.71 2yr5A1 ARG 251 HG2 0.03 0.14 0.05 -0.04 1.67 1.85 2yr5A1 ARG 251 HG3 0.09 -0.05 -0.03 -0.04 1.67 1.64 2yr5A1 ARG 251 HD2 -0.00 -0.01 -0.02 -0.04 3.22 3.14 2yr5A1 ARG 251 HD3 -0.11 -0.04 0.02 -0.04 3.22 3.04 2yr5A1 ILE 252 H 0.12 0.62 -0.14 -0.55 8.25 8.30 2yr5A1 ILE 252 HA 0.28 -0.18 0.62 -0.75 4.18 4.15 2yr5A1 ILE 252 HB 0.05 0.21 0.18 -0.04 1.89 2.29 2yr5A1 ILE 252 HG12 0.11 -0.11 0.01 -0.04 1.49 1.46 2yr5A1 ILE 252 HG13 0.15 0.04 0.06 -0.04 1.21 1.43 2yr5A1 ILE 252 HG23 0.01 0.00 -0.09 -0.04 0.93 0.80 2yr5A1 ILE 252 HD13 -0.01 0.01 -0.08 -0.04 0.88 0.75 2yr5A1 GLN 253 H 0.06 0.63 -0.12 -0.55 8.47 8.49 2yr5A1 GLN 253 HA 0.11 0.09 0.37 -0.75 4.36 4.18 2yr5A1 GLN 253 HB2 0.05 -0.06 0.05 -0.04 2.15 2.15 2yr5A1 GLN 253 HB3 0.05 0.06 0.14 -0.04 2.02 2.24 2yr5A1 GLN 253 HG2 0.07 0.09 -0.01 -0.04 2.40 2.51 2yr5A1 GLN 253 HG3 0.09 0.00 -0.23 -0.04 2.39 2.21 2yr5A1 GLN 253 HE21 0.20 0.32 -0.06 -0.04 6.97 7.39 2yr5A1 GLN 253 HE22 0.14 0.08 0.09 -0.04 7.69 7.95 2yr5A1 THR 254 H 0.04 0.47 -0.11 -0.55 8.28 8.14 2yr5A1 THR 254 HA 0.05 0.16 0.70 -0.75 4.39 4.55 2yr5A1 THR 254 HB 0.01 -0.05 0.06 -0.04 4.32 4.30 2yr5A1 THR 254 HG23 0.03 0.02 -0.03 -0.04 1.22 1.19 2yr5A1 LYS 255 H -0.03 0.42 0.01 -0.55 8.42 8.26 2yr5A1 LYS 255 HA -0.08 0.14 0.90 -0.75 4.32 4.53 2yr5A1 LYS 255 HB2 -0.20 -0.02 -0.01 -0.04 1.87 1.60 2yr5A1 LYS 255 HB3 -0.50 0.09 0.23 -0.04 1.79 1.56 2yr5A1 LYS 255 HG2 -0.50 -0.04 -0.26 -0.04 1.46 0.62 2yr5A1 LYS 255 HG3 -0.18 -0.01 0.01 -0.04 1.46 1.24 2yr5A1 LYS 255 HD2 -0.23 0.00 -0.01 -0.04 1.69 1.41 2yr5A1 LYS 255 HD3 -0.74 -0.01 -0.01 -0.04 1.68 0.88 2yr5A1 LYS 255 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.86 2yr5A1 LYS 255 HE3 -0.09 -0.03 -0.05 -0.04 2.99 2.77 2yr5A1 TYR 256 H -0.02 0.58 0.32 -0.55 8.29 8.63 2yr5A1 TYR 256 HA 0.10 0.02 0.27 -0.75 4.56 4.20 2yr5A1 TYR 256 HB2 0.12 0.07 0.13 -0.04 3.06 3.33 2yr5A1 TYR 256 HB3 0.14 -0.15 0.05 -0.04 2.98 2.98 2yr5A1 TYR 256 HD2 0.07 -0.01 -0.11 -0.04 7.15 7.05 2yr5A1 TYR 256 HE2 0.04 0.01 -0.04 -0.04 6.85 6.82 2yr5A1 TRP 257 H 0.36 0.67 0.15 -0.55 7.97 8.60 2yr5A1 TRP 257 HA 0.09 -0.02 0.69 -0.75 4.62 4.62 2yr5A1 TRP 257 HB2 0.01 -0.05 0.10 -0.04 3.23 3.25 2yr5A1 TRP 257 HB3 0.01 0.30 0.13 -0.04 3.23 3.63 2yr5A1 TRP 257 HD1 -0.04 0.16 -0.19 -0.04 7.22 7.11 2yr5A1 TRP 257 HE1 -0.16 -0.05 -0.13 -0.04 10.20 9.81 2yr5A1 TRP 257 HE3 -0.19 0.01 0.03 -0.04 7.59 7.39 2yr5A1 TRP 257 HZ2 -0.09 -0.01 -0.03 -0.04 7.44 7.26 2yr5A1 TRP 257 HZ3 -0.83 0.05 -0.03 -0.04 7.13 6.28 2yr5A1 TRP 257 HH2 -0.21 0.00 -0.03 -0.04 7.19 6.91 2yr5A1 PRO 258 HA -0.18 -0.04 0.45 -0.51 4.44 4.16 2yr5A1 PRO 258 HB2 0.01 0.14 -0.05 -0.04 2.28 2.33 2yr5A1 PRO 258 HB3 -0.00 -0.04 0.04 -0.04 2.02 1.98 2yr5A1 PRO 258 HG2 0.07 0.18 -0.13 -0.04 2.03 2.12 2yr5A1 PRO 258 HG3 0.10 -0.00 0.02 -0.04 2.03 2.10 2yr5A1 PRO 258 HD2 0.13 -0.07 -0.64 -0.04 3.68 3.06 2yr5A1 PRO 258 HD3 0.28 0.26 -0.01 -0.04 3.65 4.14 2yr5A1 GLU 259 H 0.04 0.57 -0.29 -0.55 8.60 8.37 2yr5A1 GLU 259 HA -0.06 0.00 0.55 -0.75 4.29 4.03 2yr5A1 GLU 259 HB2 0.12 0.07 0.16 -0.04 2.09 2.40 2yr5A1 GLU 259 HB3 0.04 -0.07 0.03 -0.04 1.99 1.94 2yr5A1 GLU 259 HG2 -0.01 -0.07 0.03 -0.04 2.34 2.25 2yr5A1 GLU 259 HG3 -0.01 0.20 0.08 -0.04 2.34 2.57 2yr5A1 PHE 260 H 0.11 0.54 -0.08 -0.55 8.34 8.36 2yr5A1 PHE 260 HA -0.05 0.04 0.54 -0.75 4.62 4.40 2yr5A1 PHE 260 HB2 0.06 0.05 0.22 -0.04 3.15 3.44 2yr5A1 PHE 260 HB3 -0.54 0.09 0.21 -0.04 3.06 2.79 2yr5A1 PHE 260 HD2 -0.28 0.08 -0.12 -0.04 7.28 6.92 2yr5A1 PHE 260 HE2 -0.00 0.06 -0.18 -0.04 7.38 7.22 2yr5A1 PHE 260 HZ -0.09 -0.01 -0.06 -0.04 7.32 7.12 2yr5A1 ILE 261 H -0.40 0.67 -0.08 -0.55 8.25 7.90 2yr5A1 ILE 261 HA -0.36 -0.13 0.47 -0.75 4.18 3.40 2yr5A1 ILE 261 HB -0.42 0.23 0.16 -0.04 1.89 1.82 2yr5A1 ILE 261 HG12 -0.82 -0.15 0.00 -0.04 1.49 0.47 2yr5A1 ILE 261 HG13 -1.22 0.13 0.02 -0.04 1.21 0.10 2yr5A1 ILE 261 HG23 -0.51 -0.03 -0.10 -0.04 0.93 0.25 2yr5A1 ILE 261 HD13 -0.84 -0.00 -0.12 -0.04 0.88 -0.13 2yr5A1 ALA 262 H -0.19 0.67 -0.10 -0.55 8.40 8.23 2yr5A1 ALA 262 HA -0.09 -0.04 0.41 -0.75 4.34 3.86 2yr5A1 ALA 262 HB3 -0.09 0.03 0.10 -0.04 1.41 1.41 2yr5A1 GLN 263 H -0.35 0.47 -0.26 -0.55 8.47 7.78 2yr5A1 GLN 263 HA -0.34 0.08 0.71 -0.75 4.36 4.06 2yr5A1 GLN 263 HB2 -1.17 0.11 0.16 -0.04 2.15 1.20 2yr5A1 GLN 263 HB3 -1.27 -0.07 0.00 -0.04 2.02 0.64 2yr5A1 GLN 263 HG2 -0.32 -0.07 0.04 -0.04 2.40 2.01 2yr5A1 GLN 263 HG3 -0.30 0.22 0.11 -0.04 2.39 2.39 2yr5A1 GLN 263 HE21 -0.07 0.00 -0.00 -0.04 6.97 6.86 2yr5A1 GLN 263 HE22 -0.28 -0.04 0.01 -0.04 7.69 7.34 2yr5A1 TYR 264 H -0.41 0.47 -0.02 -0.55 8.29 7.78 2yr5A1 TYR 264 HA -0.23 0.18 0.88 -0.75 4.56 4.64 2yr5A1 TYR 264 HB2 -0.83 0.11 0.05 -0.04 3.06 2.35 2yr5A1 TYR 264 HB3 -0.43 -0.14 0.14 -0.04 2.98 2.51 2yr5A1 TYR 264 HD2 -1.17 -0.00 -0.00 -0.04 7.15 5.93 2yr5A1 TYR 264 HE2 -0.08 0.06 -0.02 -0.04 6.85 6.76 2yr5A1 ASP 265 H -0.15 0.72 0.13 -0.55 8.40 8.55 2yr5A1 ASP 265 HA -0.04 -0.07 0.61 -0.75 4.63 4.38 2yr5A1 ASP 265 HB2 -0.13 0.17 0.24 -0.04 2.71 2.95 2yr5A1 ASP 265 HB3 0.00 0.10 0.09 -0.04 2.70 2.86 2yr5A1 GLY 266 H -0.04 0.25 -0.38 -0.55 8.43 7.71 2yr5A1 GLY 266 HA2 0.00 0.05 0.75 -0.51 4.01 4.30 2yr5A1 GLY 266 HA3 -0.01 0.09 0.30 -0.51 4.01 3.88 2yr5A1 LEU 267 H -0.02 0.49 -0.27 -0.55 8.37 8.03 2yr5A1 LEU 267 HA -0.02 0.09 0.85 -0.75 4.35 4.52 2yr5A1 LEU 267 HB2 0.02 0.06 0.04 -0.04 1.64 1.72 2yr5A1 LEU 267 HB3 -0.07 0.02 0.21 -0.04 1.64 1.76 2yr5A1 LEU 267 HG -0.10 0.08 -0.13 -0.04 1.64 1.44 2yr5A1 LEU 267 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 2yr5A1 LEU 267 HD23 -0.23 0.01 -0.03 -0.04 0.89 0.60 2yr5A1 THR 268 H -0.02 0.13 0.17 -0.55 8.28 8.01 2yr5A1 THR 268 HA -0.01 0.23 0.50 -0.75 4.39 4.37 2yr5A1 THR 268 HB 0.01 0.31 0.31 -0.04 4.32 4.91 2yr5A1 THR 268 HG23 0.01 0.04 0.07 -0.04 1.22 1.29 2yr5A1 LEU 269 H 0.02 0.77 0.19 -0.55 8.37 8.79 2yr5A1 LEU 269 HA -0.02 0.03 0.56 -0.75 4.35 4.16 2yr5A1 LEU 269 HB2 0.10 0.02 0.00 -0.04 1.64 1.73 2yr5A1 LEU 269 HB3 0.13 0.08 0.13 -0.04 1.64 1.94 2yr5A1 LEU 269 HG 0.13 -0.04 -0.30 -0.04 1.64 1.38 2yr5A1 LEU 269 HD13 0.26 -0.02 -0.01 -0.04 0.93 1.13 2yr5A1 LEU 269 HD23 0.54 0.01 -0.14 -0.04 0.89 1.25 2yr5A1 GLY 270 H -0.09 0.70 0.12 -0.55 8.43 8.62 2yr5A1 GLY 270 HA2 -1.11 0.06 0.42 -0.51 4.01 2.86 2yr5A1 GLY 270 HA3 -0.31 0.06 0.29 -0.51 4.01 3.53 2yr5A1 ALA 271 H -0.07 0.09 -0.27 -0.55 8.40 7.61 2yr5A1 ALA 271 HA -0.02 0.06 0.57 -0.75 4.34 4.19 2yr5A1 ALA 271 HB3 -0.01 0.03 0.11 -0.04 1.41 1.49 2yr5A1 ALA 272 H -0.09 0.53 -0.16 -0.55 8.40 8.14 2yr5A1 ALA 272 HA 0.06 0.03 0.44 -0.75 4.34 4.12 2yr5A1 ALA 272 HB3 -0.18 0.03 0.08 -0.04 1.41 1.30 2yr5A1 VAL 273 H -0.09 0.65 -0.04 -0.55 8.24 8.21 2yr5A1 VAL 273 HA -0.03 0.04 0.47 -0.75 4.13 3.85 2yr5A1 VAL 273 HB -0.19 0.08 0.14 -0.04 2.12 2.11 2yr5A1 VAL 273 HG13 0.10 -0.01 -0.09 -0.04 0.97 0.93 2yr5A1 VAL 273 HG23 0.09 0.04 -0.01 -0.04 0.95 1.03 2yr5A1 ARG 274 H -0.04 0.48 -0.24 -0.55 8.46 8.11 2yr5A1 ARG 274 HA 0.03 -0.02 0.48 -0.75 4.34 4.07 2yr5A1 ARG 274 HB2 0.02 0.02 0.12 -0.04 1.90 2.02 2yr5A1 ARG 274 HB3 0.01 0.11 0.15 -0.04 1.80 2.02 2yr5A1 ARG 274 HG2 0.03 -0.00 -0.13 -0.04 1.67 1.52 2yr5A1 ARG 274 HG3 0.03 -0.05 0.02 -0.04 1.67 1.63 2yr5A1 ARG 274 HD2 0.03 0.02 -0.01 -0.04 3.22 3.22 2yr5A1 ARG 274 HD3 0.03 -0.04 -0.03 -0.04 3.22 3.14 2yr5A1 GLU 275 H 0.04 0.55 -0.11 -0.55 8.60 8.53 2yr5A1 GLU 275 HA 0.03 -0.02 0.51 -0.75 4.29 4.06 2yr5A1 GLU 275 HB2 0.15 0.11 0.17 -0.04 2.09 2.48 2yr5A1 GLU 275 HB3 0.06 -0.01 0.03 -0.04 1.99 2.02 2yr5A1 GLU 275 HG2 0.05 -0.07 0.05 -0.04 2.34 2.33 2yr5A1 GLU 275 HG3 0.06 0.23 0.08 -0.04 2.34 2.67 2yr5A1 ILE 276 H 0.04 0.60 -0.12 -0.55 8.25 8.22 2yr5A1 ILE 276 HA -0.04 0.03 0.46 -0.75 4.18 3.88 2yr5A1 ILE 276 HB -0.02 0.09 0.18 -0.04 1.89 2.10 2yr5A1 ILE 276 HG12 -0.04 -0.02 0.04 -0.04 1.49 1.42 2yr5A1 ILE 276 HG13 0.09 0.04 0.05 -0.04 1.21 1.36 2yr5A1 ILE 276 HG23 -0.07 -0.02 -0.15 -0.04 0.93 0.65 2yr5A1 ILE 276 HD13 0.11 -0.01 -0.14 -0.04 0.88 0.80 2yr5A1 VAL 277 H -0.01 0.67 -0.05 -0.55 8.24 8.30 2yr5A1 VAL 277 HA -0.04 0.01 0.40 -0.75 4.13 3.75 2yr5A1 VAL 277 HB 0.03 0.08 0.16 -0.04 2.12 2.35 2yr5A1 VAL 277 HG13 0.07 -0.01 -0.07 -0.04 0.97 0.92 2yr5A1 VAL 277 HG23 -0.01 0.02 -0.05 -0.04 0.95 0.88 2yr5A1 THR 278 H 0.03 0.63 -0.21 -0.55 8.28 8.18 2yr5A1 THR 278 HA 0.08 -0.05 0.37 -0.75 4.39 4.03 2yr5A1 THR 278 HB 0.03 0.14 0.16 -0.04 4.32 4.61 2yr5A1 THR 278 HG23 0.04 -0.03 -0.09 -0.04 1.22 1.11 2yr5A1 VAL 279 H 0.02 0.55 -0.10 -0.55 8.24 8.16 2yr5A1 VAL 279 HA 0.02 -0.00 0.50 -0.75 4.13 3.89 2yr5A1 VAL 279 HB -0.03 0.13 0.17 -0.04 2.12 2.36 2yr5A1 VAL 279 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.80 2yr5A1 VAL 279 HG23 -0.01 0.02 0.07 -0.04 0.95 0.99 2yr5A1 ALA 280 H -0.00 0.56 -0.12 -0.55 8.40 8.29 2yr5A1 ALA 280 HA -0.04 0.02 0.45 -0.75 4.34 4.02 2yr5A1 ALA 280 HB3 -0.06 0.02 0.09 -0.04 1.41 1.41 2yr5A1 PHE 281 H 0.16 0.66 -0.12 -0.55 8.34 8.48 2yr5A1 PHE 281 HA -0.03 0.14 0.51 -0.75 4.62 4.48 2yr5A1 PHE 281 HB2 0.01 0.04 0.08 -0.04 3.15 3.24 2yr5A1 PHE 281 HB3 0.02 0.04 0.12 -0.04 3.06 3.20 2yr5A1 PHE 281 HD2 0.08 0.01 -0.19 -0.04 7.28 7.14 2yr5A1 PHE 281 HE2 0.11 -0.03 -0.24 -0.04 7.38 7.19 2yr5A1 PHE 281 HZ 0.05 -0.08 -0.07 -0.04 7.32 7.19 2yr5A1 GLU 282 H 0.13 0.59 -0.08 -0.55 8.60 8.70 2yr5A1 GLU 282 HA 0.03 -0.02 0.47 -0.75 4.29 4.02 2yr5A1 GLU 282 HB2 0.04 0.13 0.22 -0.04 2.09 2.44 2yr5A1 GLU 282 HB3 0.02 -0.06 0.07 -0.04 1.99 1.99 2yr5A1 GLU 282 HG2 0.09 -0.09 0.06 -0.04 2.34 2.36 2yr5A1 GLU 282 HG3 0.15 0.05 0.10 -0.04 2.34 2.60 2yr5A1 LYS 283 H -0.03 0.39 -0.28 -0.55 8.42 7.94 2yr5A1 LYS 283 HA -0.04 0.03 0.36 -0.75 4.32 3.91 2yr5A1 LYS 283 HB2 -0.03 0.05 0.11 -0.04 1.87 1.95 2yr5A1 LYS 283 HB3 -0.05 -0.03 0.14 -0.04 1.79 1.80 2yr5A1 LYS 283 HG2 -0.05 -0.02 -0.03 -0.04 1.46 1.32 2yr5A1 LYS 283 HG3 -0.04 -0.02 0.10 -0.04 1.46 1.46 2yr5A1 LYS 283 HD2 -0.03 -0.00 -0.00 -0.04 1.69 1.61 2yr5A1 LYS 283 HD3 -0.04 -0.01 -0.01 -0.04 1.68 1.58 2yr5A1 LYS 283 HE2 -0.04 -0.00 -0.02 -0.04 2.99 2.89 2yr5A1 LYS 283 HE3 -0.03 -0.02 0.00 -0.04 2.99 2.90 2yr5A1 GLY 284 H -0.16 0.34 -0.46 -0.55 8.43 7.62 2yr5A1 GLY 284 HA2 -0.23 0.08 0.25 -0.51 4.01 3.60 2yr5A1 GLY 284 HA3 -0.12 0.07 0.73 -0.51 4.01 4.19 2yr5A1 THR 285 H -0.10 0.27 -0.04 -0.55 8.28 7.87 2yr5A1 THR 285 HA -0.08 0.04 0.34 -0.75 4.39 3.94 2yr5A1 THR 285 HB -0.09 -0.06 0.07 -0.04 4.32 4.21 2yr5A1 THR 285 HG23 -0.08 -0.01 -0.04 -0.04 1.22 1.05 2yr5A1 LEU 286 H -0.12 0.23 -0.26 -0.55 8.37 7.66 2yr5A1 LEU 286 HA -0.12 0.19 0.83 -0.75 4.35 4.50 2yr5A1 LEU 286 HB2 -0.05 -0.07 -0.09 -0.04 1.64 1.39 2yr5A1 LEU 286 HB3 -0.48 0.05 -0.10 -0.04 1.64 1.07 2yr5A1 LEU 286 HG -0.21 -0.04 -0.26 -0.04 1.64 1.09 2yr5A1 LEU 286 HD13 -0.46 -0.01 -0.04 -0.04 0.93 0.38 2yr5A1 LEU 286 HD23 -0.43 0.03 -0.14 -0.04 0.89 0.31 2yr5A1 PRO 287 HA -0.12 0.18 0.50 -0.51 4.44 4.50 2yr5A1 PRO 287 HB2 0.04 0.06 0.02 -0.04 2.28 2.36 2yr5A1 PRO 287 HB3 -0.01 0.05 0.04 -0.04 2.02 2.06 2yr5A1 PRO 287 HG2 0.15 -0.02 -0.02 -0.04 2.03 2.09 2yr5A1 PRO 287 HG3 0.04 0.03 0.04 -0.04 2.03 2.10 2yr5A1 PRO 287 HD2 0.08 0.00 0.17 -0.04 3.68 3.89 2yr5A1 PRO 287 HD3 -0.02 0.31 0.09 -0.04 3.65 4.00 2yr5A1 PRO 288 HA 0.45 0.01 0.49 -0.51 4.44 4.88 2yr5A1 PRO 288 HB2 0.07 -0.06 -0.05 -0.04 2.28 2.20 2yr5A1 PRO 288 HB3 0.16 0.07 0.04 -0.04 2.02 2.25 2yr5A1 PRO 288 HG2 0.03 0.05 0.06 -0.04 2.03 2.13 2yr5A1 PRO 288 HG3 0.10 0.06 0.07 -0.04 2.03 2.22 2yr5A1 PRO 288 HD2 0.00 0.09 0.18 -0.04 3.68 3.91 2yr5A1 PRO 288 HD3 -0.13 0.23 0.19 -0.04 3.65 3.90 2yr5A1 VAL 289 H 0.04 0.11 0.14 -0.55 8.24 7.98 2yr5A1 VAL 289 HA -0.14 0.13 0.55 -0.75 4.13 3.91 2yr5A1 VAL 289 HB -0.30 -0.10 0.23 -0.04 2.12 1.91 2yr5A1 VAL 289 HG13 -0.82 -0.00 -0.01 -0.04 0.97 0.10 2yr5A1 VAL 289 HG23 -0.62 0.02 0.08 -0.04 0.95 0.39 2yr5A1 ASP 290 H -0.03 0.34 0.12 -0.55 8.40 8.28 2yr5A1 ASP 290 HA -0.02 0.09 0.35 -0.75 4.63 4.30 2yr5A1 ASP 290 HB2 -0.04 0.04 0.08 -0.04 2.71 2.74 2yr5A1 ASP 290 HB3 -0.09 -0.05 -0.36 -0.04 2.70 2.15 2yr5A1 GLY 291 H 0.01 0.10 -0.60 -0.55 8.43 7.39 2yr5A1 GLY 291 HA2 0.02 0.03 0.19 -0.51 4.01 3.74 2yr5A1 GLY 291 HA3 0.01 0.08 0.11 -0.51 4.01 3.70 2yr5A1 VAL 292 H -0.02 0.09 -0.44 -0.55 8.24 7.31 2yr5A1 VAL 292 HA -0.01 0.17 0.46 -0.75 4.13 4.01 2yr5A1 VAL 292 HB -0.03 -0.03 0.04 -0.04 2.12 2.07 2yr5A1 VAL 292 HG13 -0.01 -0.02 -0.16 -0.04 0.97 0.73 2yr5A1 VAL 292 HG23 -0.01 0.02 0.03 -0.04 0.95 0.94 2yr5A1 LEU 293 H -0.04 0.19 0.08 -0.55 8.37 8.06 2yr5A1 LEU 293 HA -0.02 0.00 0.29 -0.75 4.35 3.87 2yr5A1 LEU 293 HB2 -0.08 0.07 0.18 -0.04 1.64 1.78 2yr5A1 LEU 293 HB3 -0.05 -0.06 -0.07 -0.04 1.64 1.42 2yr5A1 LEU 293 HG -0.03 -0.03 0.01 -0.04 1.64 1.55 2yr5A1 LEU 293 HD13 -0.07 0.02 -0.01 -0.04 0.93 0.83 2yr5A1 LEU 293 HD23 -0.15 0.01 -0.08 -0.04 0.89 0.63 2yr5A1 ASP 294 H -0.00 0.05 0.19 -0.55 8.40 8.08 2yr5A1 ASP 294 HA 0.03 0.25 0.51 -0.75 4.63 4.67 2yr5A1 ASP 294 HB2 0.02 -0.04 0.22 -0.04 2.71 2.87 2yr5A1 ASP 294 HB3 0.01 0.15 0.15 -0.04 2.70 2.97 2yr5A1 VAL 295 H 0.03 0.21 0.16 -0.55 8.24 8.09 2yr5A1 VAL 295 HA -0.11 0.15 0.36 -0.75 4.13 3.78 2yr5A1 VAL 295 HB 0.03 -0.06 0.17 -0.04 2.12 2.21 2yr5A1 VAL 295 HG13 -0.00 0.03 -0.11 -0.04 0.97 0.84 2yr5A1 VAL 295 HG23 0.21 0.04 0.06 -0.04 0.95 1.22 2yr5A1 ASP 296 H -0.03 0.10 -0.07 -0.55 8.40 7.85 2yr5A1 ASP 296 HA -0.08 0.14 0.32 -0.75 4.63 4.26 2yr5A1 ASP 296 HB2 -0.01 0.03 0.10 -0.04 2.71 2.79 2yr5A1 ASP 296 HB3 -0.01 -0.00 0.03 -0.04 2.70 2.68 2yr5A1 GLU 297 H -0.03 0.03 -0.32 -0.55 8.60 7.73 2yr5A1 GLU 297 HA 0.01 0.08 0.46 -0.75 4.29 4.09 2yr5A1 GLU 297 HB2 -0.02 -0.04 0.10 -0.04 2.09 2.09 2yr5A1 GLU 297 HB3 -0.00 0.04 0.01 -0.04 1.99 2.00 2yr5A1 GLU 297 HG2 0.00 -0.05 0.02 -0.04 2.34 2.27 2yr5A1 GLU 297 HG3 0.00 0.04 0.05 -0.04 2.34 2.38 2yr5A1 SER 298 H -0.12 0.63 -0.20 -0.55 8.46 8.23 2yr5A1 SER 298 HA -0.13 -0.00 0.49 -0.75 4.49 4.09 2yr5A1 SER 298 HB2 -0.42 0.16 0.13 -0.04 3.95 3.77 2yr5A1 SER 298 HB3 -0.05 0.08 -0.04 -0.04 3.93 3.88 2yr5A1 ILE 299 H -0.30 0.64 -0.03 -0.55 8.25 8.01 2yr5A1 ILE 299 HA 0.05 0.05 0.40 -0.75 4.18 3.93 2yr5A1 ILE 299 HB -0.11 0.03 0.14 -0.04 1.89 1.91 2yr5A1 ILE 299 HG12 -0.15 0.03 -0.07 -0.04 1.49 1.25 2yr5A1 ILE 299 HG13 -0.73 0.06 0.05 -0.04 1.21 0.55 2yr5A1 ILE 299 HG23 0.01 -0.02 -0.12 -0.04 0.93 0.76 2yr5A1 ILE 299 HD13 -0.07 -0.02 -0.05 -0.04 0.88 0.70 2yr5A1 SER 300 H 0.00 0.57 -0.22 -0.55 8.46 8.27 2yr5A1 SER 300 HA 0.08 -0.00 0.32 -0.75 4.49 4.13 2yr5A1 SER 300 HB2 0.06 0.06 0.17 -0.04 3.95 4.19 2yr5A1 SER 300 HB3 0.07 -0.06 0.03 -0.04 3.93 3.94 2yr5A1 TYR 301 H 0.14 0.65 -0.09 -0.55 8.29 8.45 2yr5A1 TYR 301 HA 0.11 -0.02 0.48 -0.75 4.56 4.37 2yr5A1 TYR 301 HB2 -0.03 0.06 0.18 -0.04 3.06 3.23 2yr5A1 TYR 301 HB3 -0.20 0.13 0.21 -0.04 2.98 3.08 2yr5A1 TYR 301 HD2 -0.13 0.04 -0.13 -0.04 7.15 6.89 2yr5A1 TYR 301 HE2 0.03 -0.02 -0.02 -0.04 6.85 6.80 2yr5A1 TYR 302 H 0.17 0.65 -0.12 -0.55 8.29 8.45 2yr5A1 TYR 302 HA 0.13 -0.03 0.50 -0.75 4.56 4.41 2yr5A1 TYR 302 HB2 0.08 0.14 0.16 -0.04 3.06 3.39 2yr5A1 TYR 302 HB3 0.08 -0.04 -0.03 -0.04 2.98 2.95 2yr5A1 TYR 302 HD2 0.11 -0.04 -0.07 -0.04 7.15 7.11 2yr5A1 TYR 302 HE2 0.21 0.06 -0.08 -0.04 6.85 7.00 2yr5A1 VAL 303 H 0.18 0.67 -0.08 -0.55 8.24 8.46 2yr5A1 VAL 303 HA 0.21 0.01 0.47 -0.75 4.13 4.06 2yr5A1 VAL 303 HB 0.13 0.10 0.15 -0.04 2.12 2.45 2yr5A1 VAL 303 HG13 0.22 -0.03 -0.12 -0.04 0.97 1.00 2yr5A1 VAL 303 HG23 0.09 0.05 -0.04 -0.04 0.95 1.01 2yr5A1 GLU 304 H 0.03 0.57 -0.19 -0.55 8.60 8.47 2yr5A1 GLU 304 HA -0.00 0.01 0.47 -0.75 4.29 4.01 2yr5A1 GLU 304 HB2 0.03 0.12 0.17 -0.04 2.09 2.37 2yr5A1 GLU 304 HB3 0.11 -0.06 0.06 -0.04 1.99 2.05 2yr5A1 GLU 304 HG2 0.11 0.05 0.03 -0.04 2.34 2.50 2yr5A1 GLU 304 HG3 0.12 -0.02 0.01 -0.04 2.34 2.40 2yr5A1 LEU 305 H -0.40 0.68 -0.03 -0.55 8.37 8.08 2yr5A1 LEU 305 HA -1.30 -0.01 0.45 -0.75 4.35 2.73 2yr5A1 LEU 305 HB2 -0.47 0.03 0.09 -0.04 1.64 1.25 2yr5A1 LEU 305 HB3 -0.03 0.09 0.20 -0.04 1.64 1.85 2yr5A1 LEU 305 HG 0.06 0.00 -0.24 -0.04 1.64 1.43 2yr5A1 LEU 305 HD13 0.31 -0.02 -0.03 -0.04 0.93 1.14 2yr5A1 LEU 305 HD23 0.28 -0.02 -0.16 -0.04 0.89 0.95 2yr5A1 PHE 306 H 0.12 0.69 -0.08 -0.55 8.34 8.52 2yr5A1 PHE 306 HA -0.02 0.03 0.46 -0.75 4.62 4.34 2yr5A1 PHE 306 HB2 -0.01 0.02 0.05 -0.04 3.15 3.17 2yr5A1 PHE 306 HB3 0.06 0.12 0.10 -0.04 3.06 3.30 2yr5A1 PHE 306 HD2 0.04 0.02 -0.14 -0.04 7.28 7.16 2yr5A1 PHE 306 HE2 -0.17 0.06 -0.08 -0.04 7.38 7.15 2yr5A1 PHE 306 HZ -1.84 0.01 -0.19 -0.04 7.32 5.25 2yr5A1 GLY 307 H 0.06 0.49 -0.36 -0.55 8.43 8.07 2yr5A1 GLY 307 HA2 -0.14 -0.08 0.33 -0.51 4.01 3.61 2yr5A1 GLY 307 HA3 -0.22 0.07 0.32 -0.51 4.01 3.67 2yr5A1 ARG 308 H -0.15 0.51 -0.21 -0.55 8.46 8.06 2yr5A1 ARG 308 HA 0.05 0.01 0.68 -0.75 4.34 4.32 2yr5A1 ARG 308 HB2 0.15 -0.03 0.11 -0.04 1.90 2.09 2yr5A1 ARG 308 HB3 0.27 0.07 0.06 -0.04 1.80 2.16 2yr5A1 ARG 308 HG2 0.15 -0.06 -0.03 -0.04 1.67 1.70 2yr5A1 ARG 308 HG3 0.27 0.04 -0.15 -0.04 1.67 1.79 2yr5A1 ARG 308 HD2 0.07 0.17 -0.16 -0.04 3.22 3.26 2yr5A1 ARG 308 HD3 0.10 -0.03 0.19 -0.04 3.22 3.44 2yr5A1 PHE 309 H -0.05 0.34 -0.28 -0.55 8.34 7.80 2yr5A1 PHE 309 HA -0.23 0.05 0.42 -0.75 4.62 4.10 2yr5A1 PHE 309 HB2 -0.70 -0.02 0.01 -0.04 3.15 2.40 2yr5A1 PHE 309 HB3 -0.45 0.01 0.14 -0.04 3.06 2.73 2yr5A1 PHE 309 HD2 -1.04 0.08 -0.14 -0.04 7.28 6.14 2yr5A1 PHE 309 HE2 -0.47 0.00 -0.18 -0.04 7.38 6.69 2yr5A1 PHE 309 HZ -0.33 0.06 -0.19 -0.04 7.32 6.82 2yr5A1 GLY 310 H -0.70 0.47 0.06 -0.55 8.43 7.72 2yr5A1 GLY 310 HA2 -0.54 -0.07 0.26 -0.51 4.01 3.15 2yr5A1 GLY 310 HA3 -0.20 0.29 0.35 -0.51 4.01 3.94 2yr5A1 PHE 311 H -0.05 0.15 0.13 -0.55 8.34 8.01 2yr5A1 PHE 311 HA 0.12 0.20 0.62 -0.75 4.62 4.81 2yr5A1 PHE 311 HB2 -0.20 -0.02 -0.01 -0.04 3.15 2.89 2yr5A1 PHE 311 HB3 0.12 0.04 0.09 -0.04 3.06 3.26 2yr5A1 PHE 311 HD2 -0.35 0.02 -0.04 -0.04 7.28 6.87 2yr5A1 PHE 311 HE2 0.26 -0.00 -0.10 -0.04 7.38 7.50 2yr5A1 PHE 311 HZ 0.30 -0.01 -0.10 -0.04 7.32 7.47 2yr5A1 GLY 312 H 0.01 0.03 -0.05 -0.55 8.43 7.87 2yr5A1 GLY 312 HA2 0.04 0.14 0.24 -0.51 4.01 3.91 2yr5A1 GLY 312 HA3 0.02 0.20 0.82 -0.51 4.01 4.54 2yr5A1 THR 313 H 0.20 -0.04 0.04 -0.55 8.28 7.93 2yr5A1 THR 313 HA 0.27 0.24 0.77 -0.75 4.39 4.93 2yr5A1 THR 313 HB 0.50 0.02 0.14 -0.04 4.32 4.94 2yr5A1 THR 313 HG23 0.24 0.01 -0.21 -0.04 1.22 1.22 2yr5A1 GLY 314 H 0.07 -0.00 0.01 -0.55 8.43 7.96 2yr5A1 GLY 314 HA2 0.02 0.11 0.35 -0.51 4.01 3.98 2yr5A1 GLY 314 HA3 0.15 0.19 0.73 -0.51 4.01 4.56 2yr5A1 GLY 315 H 0.09 0.18 0.15 -0.55 8.43 8.30 2yr5A1 GLY 315 HA2 0.02 -0.08 -0.27 -0.51 4.01 3.17 2yr5A1 GLY 315 HA3 0.10 0.03 0.36 -0.51 4.01 3.99 2yr5A1 PHE 316 H 0.18 0.15 0.19 -0.55 8.34 8.31 2yr5A1 PHE 316 HA 0.24 0.19 0.86 -0.75 4.62 5.15 2yr5A1 PHE 316 HB2 0.38 0.02 0.09 -0.04 3.15 3.60 2yr5A1 PHE 316 HB3 0.37 -0.07 0.07 -0.04 3.06 3.38 2yr5A1 PHE 316 HD2 0.31 0.09 -0.29 -0.04 7.28 7.35 2yr5A1 PHE 316 HE2 0.02 0.05 -0.11 -0.04 7.38 7.30 2yr5A1 PHE 316 HZ -0.24 0.03 -0.09 -0.04 7.32 6.98 2yr5A1 LYS 317 H -0.07 0.70 0.02 -0.55 8.42 8.52 2yr5A1 LYS 317 HA -1.29 -0.01 0.42 -0.75 4.32 2.69 2yr5A1 LYS 317 HB2 -0.31 -0.08 -0.06 -0.04 1.87 1.38 2yr5A1 LYS 317 HB3 -0.10 0.09 -0.06 -0.04 1.79 1.69 2yr5A1 LYS 317 HG2 -0.07 0.03 -0.07 -0.04 1.46 1.32 2yr5A1 LYS 317 HG3 -0.09 -0.03 -0.35 -0.04 1.46 0.95 2yr5A1 LYS 317 HD2 -0.39 -0.08 0.07 -0.04 1.69 1.25 2yr5A1 LYS 317 HD3 -0.27 0.03 0.02 -0.04 1.68 1.41 2yr5A1 LYS 317 HE2 0.02 0.04 -0.03 -0.04 2.99 2.98 2yr5A1 LYS 317 HE3 0.02 -0.03 -0.05 -0.04 2.99 2.88 2yr5A1 PRO 318 HA 0.05 0.02 0.49 -0.51 4.44 4.50 2yr5A1 PRO 318 HB2 0.19 -0.02 -0.11 -0.04 2.28 2.30 2yr5A1 PRO 318 HB3 0.10 -0.07 0.14 -0.04 2.02 2.16 2yr5A1 PRO 318 HG2 0.40 0.09 -0.04 -0.04 2.03 2.44 2yr5A1 PRO 318 HG3 0.22 0.07 0.06 -0.04 2.03 2.34 2yr5A1 PRO 318 HD2 0.14 0.16 -0.37 -0.04 3.68 3.58 2yr5A1 PRO 318 HD3 0.06 0.10 0.00 -0.04 3.65 3.76 2yr5A1 LEU 319 H 0.06 0.45 -0.55 -0.55 8.37 7.79 2yr5A1 LEU 319 HA -0.02 0.05 0.71 -0.75 4.35 4.33 2yr5A1 LEU 319 HB2 -0.22 0.12 0.09 -0.04 1.64 1.59 2yr5A1 LEU 319 HB3 -0.27 -0.07 0.15 -0.04 1.64 1.42 2yr5A1 LEU 319 HG -0.33 0.05 -0.04 -0.04 1.64 1.28 2yr5A1 LEU 319 HD13 -1.77 0.01 -0.04 -0.04 0.93 -0.90 2yr5A1 LEU 319 HD23 -0.31 -0.01 -0.21 -0.04 0.89 0.32 2yr5A1 TYR 320 H 0.20 0.55 -0.21 -0.55 8.29 8.28 2yr5A1 TYR 320 HA 0.13 0.04 0.25 -0.75 4.56 4.22 2yr5A1 TYR 320 HB2 0.09 0.23 0.19 -0.04 3.06 3.52 2yr5A1 TYR 320 HB3 0.08 -0.14 0.08 -0.04 2.98 2.96 2yr5A1 TYR 320 HD2 0.17 0.03 -0.10 -0.04 7.15 7.20 2yr5A1 TYR 320 HE2 0.22 0.02 -0.14 -0.04 6.85 6.92 2yr5A1 ASN 321 H 0.10 0.15 -0.37 -0.55 8.53 7.87 2yr5A1 ASN 321 HA 0.05 0.08 0.83 -0.75 4.76 4.96 2yr5A1 ASN 321 HB2 -0.03 0.04 0.02 -0.04 2.88 2.87 2yr5A1 ASN 321 HB3 -0.02 -0.01 0.15 -0.04 2.79 2.88 2yr5A1 ASN 321 HD21 0.05 0.01 0.02 -0.04 7.03 7.08 2yr5A1 ASN 321 HD22 0.03 0.04 0.04 -0.04 7.74 7.81 2yr5A1 ILE 322 H 0.05 0.47 -0.14 -0.55 8.25 8.07 2yr5A1 ILE 322 HA -0.00 0.14 0.60 -0.75 4.18 4.16 2yr5A1 ILE 322 HB 0.03 0.02 0.14 -0.04 1.89 2.03 2yr5A1 ILE 322 HG12 0.08 0.22 0.10 -0.04 1.49 1.84 2yr5A1 ILE 322 HG13 0.06 0.01 -0.25 -0.04 1.21 0.99 2yr5A1 ILE 322 HG23 -0.03 0.00 0.00 -0.04 0.93 0.86 2yr5A1 ILE 322 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.79 2yr5A1 SER 323 H 0.03 0.43 0.21 -0.55 8.46 8.59 2yr5A1 SER 323 HA 0.01 0.19 0.49 -0.75 4.49 4.43 2yr5A1 SER 323 HB2 0.03 0.13 -0.05 -0.04 3.95 4.02 2yr5A1 SER 323 HB3 0.05 -0.12 0.08 -0.04 3.93 3.90 2yr5A1 LEU 324 H -0.03 0.84 0.34 -0.55 8.37 8.97 2yr5A1 LEU 324 HA 0.01 0.01 0.41 -0.75 4.35 4.02 2yr5A1 LEU 324 HB2 -0.20 0.05 -0.00 -0.04 1.64 1.45 2yr5A1 LEU 324 HB3 -0.15 0.10 0.13 -0.04 1.64 1.68 2yr5A1 LEU 324 HG 0.05 -0.02 -0.17 -0.04 1.64 1.45 2yr5A1 LEU 324 HD13 -0.10 -0.01 0.04 -0.04 0.93 0.81 2yr5A1 LEU 324 HD23 -1.00 0.02 -0.01 -0.04 0.89 -0.15 2yr5A1 VAL 325 H 0.05 0.14 -0.25 -0.55 8.24 7.63 2yr5A1 VAL 325 HA 0.29 0.13 0.44 -0.75 4.13 4.24 2yr5A1 VAL 325 HB 0.03 -0.09 0.03 -0.04 2.12 2.05 2yr5A1 VAL 325 HG13 -0.11 0.02 -0.11 -0.04 0.97 0.73 2yr5A1 VAL 325 HG23 -0.09 0.04 -0.13 -0.04 0.95 0.73 2yr5A1 GLU 326 H 0.10 0.13 -0.23 -0.55 8.60 8.04 2yr5A1 GLU 326 HA 0.13 0.06 0.52 -0.75 4.29 4.26 2yr5A1 GLU 326 HB2 0.09 -0.07 0.18 -0.04 2.09 2.24 2yr5A1 GLU 326 HB3 0.07 0.12 0.10 -0.04 1.99 2.24 2yr5A1 GLU 326 HG2 0.06 -0.02 0.13 -0.04 2.34 2.47 2yr5A1 GLU 326 HG3 0.07 0.06 -0.03 -0.04 2.34 2.40 2yr5A1 MET 327 H 0.08 0.43 -0.11 -0.55 8.47 8.32 2yr5A1 MET 327 HA 0.05 0.02 0.52 -0.75 4.52 4.35 2yr5A1 MET 327 HB2 0.09 -0.02 0.06 -0.04 2.15 2.24 2yr5A1 MET 327 HB3 0.06 0.11 0.08 -0.04 2.03 2.24 2yr5A1 MET 327 HG2 0.00 0.00 -0.06 -0.04 2.63 2.54 2yr5A1 MET 327 HG3 -0.11 -0.01 -0.17 -0.04 2.56 2.23 2yr5A1 MET 327 HE3 -0.91 -0.01 -0.05 -0.04 2.10 1.09 2yr5A1 MET 328 H 0.14 0.59 -0.22 -0.55 8.47 8.44 2yr5A1 MET 328 HA 0.07 0.00 0.47 -0.75 4.52 4.31 2yr5A1 MET 328 HB2 0.19 0.08 0.13 -0.04 2.15 2.51 2yr5A1 MET 328 HB3 0.33 0.06 0.15 -0.04 2.03 2.53 2yr5A1 MET 328 HG2 -0.31 0.02 0.01 -0.04 2.63 2.30 2yr5A1 MET 328 HG3 0.03 -0.04 -0.04 -0.04 2.56 2.47 2yr5A1 MET 328 HE3 0.18 0.07 0.07 -0.04 2.10 2.37 2yr5A1 ARG 329 H 0.17 0.44 -0.18 -0.55 8.46 8.34 2yr5A1 ARG 329 HA -0.08 0.01 0.51 -0.75 4.34 4.03 2yr5A1 ARG 329 HB2 0.07 0.16 0.20 -0.04 1.90 2.28 2yr5A1 ARG 329 HB3 -0.04 -0.01 0.07 -0.04 1.80 1.78 2yr5A1 ARG 329 HG2 -0.03 -0.08 0.08 -0.04 1.67 1.60 2yr5A1 ARG 329 HG3 0.31 0.16 0.12 -0.04 1.67 2.22 2yr5A1 ARG 329 HD2 0.14 -0.07 0.08 -0.04 3.22 3.33 2yr5A1 ARG 329 HD3 0.03 0.21 0.14 -0.04 3.22 3.55 2yr5A1 LEU 330 H 0.06 0.35 -0.24 -0.55 8.37 7.99 2yr5A1 LEU 330 HA 0.23 0.03 0.47 -0.75 4.35 4.33 2yr5A1 LEU 330 HB2 -0.04 0.15 0.14 -0.04 1.64 1.85 2yr5A1 LEU 330 HB3 -0.15 -0.08 0.01 -0.04 1.64 1.37 2yr5A1 LEU 330 HG 0.07 0.14 0.08 -0.04 1.64 1.88 2yr5A1 LEU 330 HD13 -0.06 -0.02 -0.03 -0.04 0.93 0.78 2yr5A1 LEU 330 HD23 0.22 -0.01 -0.06 -0.04 0.89 1.00 2yr5A1 ILE 331 H 0.04 0.51 -0.08 -0.55 8.25 8.17 2yr5A1 ILE 331 HA 0.08 -0.02 0.47 -0.75 4.18 3.95 2yr5A1 ILE 331 HB 0.03 0.09 0.19 -0.04 1.89 2.16 2yr5A1 ILE 331 HG12 -0.02 -0.04 -0.02 -0.04 1.49 1.38 2yr5A1 ILE 331 HG13 -0.09 0.06 -0.00 -0.04 1.21 1.14 2yr5A1 ILE 331 HG23 0.05 0.02 -0.17 -0.04 0.93 0.78 2yr5A1 ILE 331 HD13 0.02 -0.02 -0.15 -0.04 0.88 0.69 2yr5A1 LEU 332 H 0.03 0.59 -0.11 -0.55 8.37 8.34 2yr5A1 LEU 332 HA 0.04 0.01 0.32 -0.75 4.35 3.97 2yr5A1 LEU 332 HB2 -0.03 0.09 0.15 -0.04 1.64 1.81 2yr5A1 LEU 332 HB3 0.03 0.00 0.03 -0.04 1.64 1.66 2yr5A1 LEU 332 HG -0.06 0.09 0.08 -0.04 1.64 1.70 2yr5A1 LEU 332 HD13 -0.42 -0.03 -0.04 -0.04 0.93 0.40 2yr5A1 LEU 332 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.76 2yr5A1 TRP 333 H 0.18 0.26 -0.43 -0.55 7.97 7.43 2yr5A1 TRP 333 HA -0.70 0.11 0.44 -0.75 4.62 3.72 2yr5A1 TRP 333 HB2 -0.14 0.13 0.09 -0.04 3.23 3.27 2yr5A1 TRP 333 HB3 -0.15 -0.03 -0.01 -0.04 3.23 3.00 2yr5A1 TRP 333 HD1 -1.23 0.12 -0.02 -0.04 7.22 6.04 2yr5A1 TRP 333 HE1 -0.01 0.13 -0.14 -0.04 10.20 10.13 2yr5A1 TRP 333 HE3 -0.40 0.03 -0.05 -0.04 7.59 7.13 2yr5A1 TRP 333 HZ2 -0.05 -0.16 -0.02 -0.04 7.44 7.17 2yr5A1 TRP 333 HZ3 -2.46 0.01 -0.06 -0.04 7.13 4.58 2yr5A1 TRP 333 HH2 -0.47 -0.18 -0.01 -0.04 7.19 6.49 2yr5A1 ASP 334 H 0.06 0.40 -0.44 -0.55 8.40 7.87 2yr5A1 ASP 334 HA -0.03 0.01 0.32 -0.75 4.63 4.18 2yr5A1 ASP 334 HB2 -0.07 0.07 -0.08 -0.04 2.71 2.60 2yr5A1 ASP 334 HB3 -0.18 0.13 0.07 -0.04 2.70 2.68 2yr5A1 TYR 335 H 0.16 0.34 -0.04 -0.55 8.29 8.20 2yr5A1 TYR 335 HA -0.79 0.06 -0.02 -0.75 4.56 3.05 2yr5A1 TYR 335 HB2 -0.51 -0.05 -0.01 -0.04 3.06 2.45 2yr5A1 TYR 335 HB3 0.03 0.06 0.06 -0.04 2.98 3.08 2yr5A1 TYR 335 HD2 0.15 0.04 -0.17 -0.04 7.15 7.13 2yr5A1 TYR 335 HE2 0.17 0.01 -0.15 -0.04 6.85 6.83 2yr5A1 SER 336 H -0.66 0.09 -0.39 -0.55 8.46 6.96 2yr5A1 SER 336 HA -0.63 0.06 0.21 -0.75 4.49 3.37 2yr5A1 SER 336 HB2 -0.26 0.00 -0.02 -0.04 3.95 3.63 2yr5A1 SER 336 HB3 -0.84 -0.07 -0.07 -0.04 3.93 2.90 2yr5A1 ASN 337 H -0.27 0.34 -0.29 -0.55 8.53 7.75 2yr5A1 ASN 337 HA -0.13 0.11 0.62 -0.75 4.76 4.61 2yr5A1 ASN 337 HB2 -0.10 -0.01 0.10 -0.04 2.88 2.82 2yr5A1 ASN 337 HB3 -0.13 0.05 0.26 -0.04 2.79 2.93 2yr5A1 ASN 337 HD21 0.06 0.05 0.01 -0.04 7.03 7.11 2yr5A1 ASN 337 HD22 -0.03 0.01 0.06 -0.04 7.74 7.74 2yr5A1 GLU 338 H -0.14 0.29 0.23 -0.55 8.60 8.44 2yr5A1 GLU 338 HA 0.10 0.19 0.69 -0.75 4.29 4.51 2yr5A1 GLU 338 HB2 -0.00 0.07 -0.06 -0.04 2.09 2.06 2yr5A1 GLU 338 HB3 0.02 -0.18 -0.21 -0.04 1.99 1.59 2yr5A1 GLU 338 HG2 -0.03 -0.09 -0.52 -0.04 2.34 1.66 2yr5A1 GLU 338 HG3 -0.12 -0.00 -0.67 -0.04 2.34 1.50 2yr5A1 TYR 339 H 0.43 0.49 0.32 -0.55 8.29 8.99 2yr5A1 TYR 339 HA 0.20 0.17 1.08 -0.75 4.56 5.26 2yr5A1 TYR 339 HB2 0.47 -0.02 -0.02 -0.04 3.06 3.45 2yr5A1 TYR 339 HB3 0.20 0.09 0.05 -0.04 2.98 3.27 2yr5A1 TYR 339 HD2 0.04 0.02 -0.32 -0.04 7.15 6.85 2yr5A1 TYR 339 HE2 -0.07 0.09 -0.08 -0.04 6.85 6.75 2yr5A1 THR 340 H 0.34 0.58 0.29 -0.55 8.28 8.95 2yr5A1 THR 340 HA 0.46 0.11 0.86 -0.75 4.39 5.07 2yr5A1 THR 340 HB 0.21 0.02 0.15 -0.04 4.32 4.66 2yr5A1 THR 340 HG23 0.29 0.04 -0.05 -0.04 1.22 1.46 2yr5A1 LEU 341 H 0.23 0.10 0.11 -0.55 8.37 8.26 2yr5A1 LEU 341 HA 0.09 0.22 0.70 -0.75 4.35 4.60 2yr5A1 LEU 341 HB2 -0.03 -0.08 -0.07 -0.04 1.64 1.43 2yr5A1 LEU 341 HB3 -0.29 0.08 -0.09 -0.04 1.64 1.30 2yr5A1 LEU 341 HG -0.24 -0.03 -0.19 -0.04 1.64 1.15 2yr5A1 LEU 341 HD13 -0.36 -0.04 -0.09 -0.04 0.93 0.41 2yr5A1 LEU 341 HD23 -0.58 0.03 -0.15 -0.04 0.89 0.15 2yr5A1 PRO 342 HA -0.14 0.17 0.46 -0.51 4.44 4.43 2yr5A1 PRO 342 HB2 -0.28 -0.03 0.19 -0.04 2.28 2.12 2yr5A1 PRO 342 HB3 -0.17 0.36 0.04 -0.04 2.02 2.22 2yr5A1 PRO 342 HG2 -1.59 -0.02 0.03 -0.04 2.03 0.42 2yr5A1 PRO 342 HG3 -0.39 0.03 -0.02 -0.04 2.03 1.60 2yr5A1 PRO 342 HD2 -0.59 -0.02 0.05 -0.04 3.68 3.09 2yr5A1 PRO 342 HD3 -0.11 0.17 0.05 -0.04 3.65 3.72 2yr5A1 VAL 343 H -0.09 0.62 0.12 -0.55 8.24 8.34 2yr5A1 VAL 343 HA -0.08 0.15 0.76 -0.75 4.13 4.20 2yr5A1 VAL 343 HB 0.02 -0.09 -0.12 -0.04 2.12 1.89 2yr5A1 VAL 343 HG13 -0.14 -0.02 -0.44 -0.04 0.97 0.33 2yr5A1 VAL 343 HG23 0.02 -0.00 -0.59 -0.04 0.95 0.34 2yr5A1 THR 344 H 0.00 0.09 0.12 -0.55 8.28 7.94 2yr5A1 THR 344 HA 0.00 0.28 0.82 -0.75 4.39 4.74 2yr5A1 THR 344 HB 0.00 -0.09 0.04 -0.04 4.32 4.23 2yr5A1 THR 344 HG23 -0.01 0.01 -0.19 -0.04 1.22 0.99 2yr5A1 GLU 345 H 0.02 0.14 0.06 -0.55 8.60 8.28 2yr5A1 GLU 345 HA 0.02 0.28 0.75 -0.75 4.29 4.59 2yr5A1 GLU 345 HB2 0.01 -0.05 0.01 -0.04 2.09 2.02 2yr5A1 GLU 345 HB3 0.01 -0.09 -0.03 -0.04 1.99 1.84 2yr5A1 GLU 345 HG2 -0.03 0.01 -0.13 -0.04 2.34 2.15 2yr5A1 GLU 345 HG3 -0.02 0.15 -0.45 -0.04 2.34 1.98 2yr5A1 ASN 346 H 0.07 0.27 0.01 -0.55 8.53 8.33 2yr5A1 ASN 346 HA 0.12 0.13 0.26 -0.75 4.76 4.52 2yr5A1 ASN 346 HB2 0.14 0.01 0.03 -0.04 2.88 3.01 2yr5A1 ASN 346 HB3 0.19 -0.05 -0.01 -0.04 2.79 2.87 2yr5A1 ASN 346 HD21 0.27 0.10 0.08 -0.04 7.03 7.44 2yr5A1 ASN 346 HD22 0.21 0.33 0.14 -0.04 7.74 8.38 2yr5A1 VAL 347 H 0.04 0.13 -0.39 -0.55 8.24 7.47 2yr5A1 VAL 347 HA -0.04 -0.02 0.30 -0.75 4.13 3.62 2yr5A1 VAL 347 HB 0.01 0.06 -0.15 -0.04 2.12 2.00 2yr5A1 VAL 347 HG13 -0.00 0.01 -0.17 -0.04 0.97 0.77 2yr5A1 VAL 347 HG23 -0.07 -0.02 -0.34 -0.04 0.95 0.48 2yr5A1 GLU 348 H 0.05 0.46 -0.40 -0.55 8.60 8.16 2yr5A1 GLU 348 HA -0.01 0.03 0.43 -0.75 4.29 3.98 2yr5A1 GLU 348 HB2 0.16 0.11 0.03 -0.04 2.09 2.35 2yr5A1 GLU 348 HB3 0.18 0.07 -0.00 -0.04 1.99 2.20 2yr5A1 GLU 348 HG2 0.05 0.04 0.03 -0.04 2.34 2.41 2yr5A1 GLU 348 HG3 0.04 -0.07 0.06 -0.04 2.34 2.33 2yr5A1 PHE 349 H 0.27 0.44 -0.30 -0.55 8.34 8.20 2yr5A1 PHE 349 HA -0.14 0.15 0.47 -0.75 4.62 4.34 2yr5A1 PHE 349 HB2 0.19 0.02 0.03 -0.04 3.15 3.36 2yr5A1 PHE 349 HB3 -0.01 0.04 0.09 -0.04 3.06 3.14 2yr5A1 PHE 349 HD2 -0.23 -0.01 -0.07 -0.04 7.28 6.93 2yr5A1 PHE 349 HE2 -0.12 0.03 -0.33 -0.04 7.38 6.91 2yr5A1 PHE 349 HZ 0.01 0.09 -0.10 -0.04 7.32 7.28 2yr5A1 ILE 350 H -0.11 0.19 -0.14 -0.55 8.25 7.64 2yr5A1 ILE 350 HA -0.33 0.05 0.47 -0.75 4.18 3.61 2yr5A1 ILE 350 HB -0.33 0.07 0.09 -0.04 1.89 1.68 2yr5A1 ILE 350 HG12 -0.18 0.06 0.03 -0.04 1.49 1.36 2yr5A1 ILE 350 HG13 -0.15 -0.09 0.01 -0.04 1.21 0.94 2yr5A1 ILE 350 HG23 -0.10 -0.01 -0.16 -0.04 0.93 0.62 2yr5A1 ILE 350 HD13 -0.46 -0.00 -0.11 -0.04 0.88 0.26 2yr5A1 ARG 351 H -0.47 0.58 -0.08 -0.55 8.46 7.94 2yr5A1 ARG 351 HA -0.61 0.00 0.44 -0.75 4.34 3.43 2yr5A1 ARG 351 HB2 -0.58 -0.02 0.03 -0.04 1.90 1.29 2yr5A1 ARG 351 HB3 -0.17 0.06 0.08 -0.04 1.80 1.72 2yr5A1 ARG 351 HG2 0.05 0.02 -0.27 -0.04 1.67 1.43 2yr5A1 ARG 351 HG3 0.15 -0.01 -0.03 -0.04 1.67 1.74 2yr5A1 ARG 351 HD2 0.03 0.01 -0.06 -0.04 3.22 3.16 2yr5A1 ARG 351 HD3 0.11 0.00 -0.05 -0.04 3.22 3.23 2yr5A1 ASN 352 H -0.11 0.64 -0.21 -0.55 8.53 8.31 2yr5A1 ASN 352 HA -0.03 -0.00 0.52 -0.75 4.76 4.50 2yr5A1 ASN 352 HB2 -0.26 0.07 0.21 -0.04 2.88 2.86 2yr5A1 ASN 352 HB3 -0.22 0.09 0.12 -0.04 2.79 2.74 2yr5A1 ASN 352 HD21 0.11 -0.10 0.04 -0.04 7.03 7.04 2yr5A1 ASN 352 HD22 -0.31 0.33 0.07 -0.04 7.74 7.79 2yr5A1 LEU 353 H -0.14 0.43 -0.27 -0.55 8.37 7.85 2yr5A1 LEU 353 HA -0.15 0.08 0.36 -0.75 4.35 3.89 2yr5A1 LEU 353 HB2 -0.27 0.10 0.05 -0.04 1.64 1.47 2yr5A1 LEU 353 HB3 -0.19 -0.01 0.02 -0.04 1.64 1.41 2yr5A1 LEU 353 HG -0.30 0.01 -0.15 -0.04 1.64 1.16 2yr5A1 LEU 353 HD13 -0.56 0.03 -0.04 -0.04 0.93 0.32 2yr5A1 LEU 353 HD23 -0.66 -0.04 -0.14 -0.04 0.89 0.01 2yr5A1 PHE 354 H 0.12 0.51 -0.19 -0.55 8.34 8.24 2yr5A1 PHE 354 HA 0.05 -0.01 0.42 -0.75 4.62 4.34 2yr5A1 PHE 354 HB2 0.22 -0.07 0.07 -0.04 3.15 3.33 2yr5A1 PHE 354 HB3 0.15 0.19 0.19 -0.04 3.06 3.55 2yr5A1 PHE 354 HD2 0.13 0.01 -0.08 -0.04 7.28 7.30 2yr5A1 PHE 354 HE2 0.03 0.01 -0.09 -0.04 7.38 7.28 2yr5A1 PHE 354 HZ -0.00 0.01 -0.08 -0.04 7.32 7.20 2yr5A1 LEU 355 H 0.13 0.57 -0.11 -0.55 8.37 8.41 2yr5A1 LEU 355 HA -0.19 -0.01 0.44 -0.75 4.35 3.85 2yr5A1 LEU 355 HB2 0.02 0.14 0.17 -0.04 1.64 1.92 2yr5A1 LEU 355 HB3 -0.00 -0.04 0.03 -0.04 1.64 1.58 2yr5A1 LEU 355 HG 0.24 0.12 0.05 -0.04 1.64 2.01 2yr5A1 LEU 355 HD13 0.07 -0.02 -0.04 -0.04 0.93 0.90 2yr5A1 LEU 355 HD23 0.09 -0.02 -0.01 -0.04 0.89 0.91 2yr5A1 LYS 356 H -0.01 0.64 -0.15 -0.55 8.42 8.34 2yr5A1 LYS 356 HA 0.01 -0.00 0.51 -0.75 4.32 4.08 2yr5A1 LYS 356 HB2 -0.01 0.15 0.10 -0.04 1.87 2.07 2yr5A1 LYS 356 HB3 0.09 0.02 0.05 -0.04 1.79 1.90 2yr5A1 LYS 356 HG2 0.11 0.05 -0.05 -0.04 1.46 1.53 2yr5A1 LYS 356 HG3 0.25 -0.08 -0.05 -0.04 1.46 1.54 2yr5A1 LYS 356 HD2 0.03 -0.10 0.07 -0.04 1.69 1.64 2yr5A1 LYS 356 HD3 0.01 0.10 0.04 -0.04 1.68 1.79 2yr5A1 LYS 356 HE2 0.04 0.07 0.03 -0.04 2.99 3.10 2yr5A1 LYS 356 HE3 0.07 -0.04 0.00 -0.04 2.99 2.99 2yr5A1 ALA 357 H 0.06 0.59 -0.21 -0.55 8.40 8.29 2yr5A1 ALA 357 HA -0.03 0.02 0.49 -0.75 4.34 4.07 2yr5A1 ALA 357 HB3 -0.01 0.06 -0.06 -0.04 1.41 1.36 2yr5A1 GLN 358 H -0.19 0.40 -0.26 -0.55 8.47 7.87 2yr5A1 GLN 358 HA -0.12 0.04 0.49 -0.75 4.36 4.02 2yr5A1 GLN 358 HB2 -0.20 0.13 0.16 -0.04 2.15 2.21 2yr5A1 GLN 358 HB3 -0.13 -0.04 0.05 -0.04 2.02 1.85 2yr5A1 GLN 358 HG2 -0.22 -0.05 -0.03 -0.04 2.40 2.06 2yr5A1 GLN 358 HG3 -0.50 0.14 0.04 -0.04 2.39 2.03 2yr5A1 GLN 358 HE21 -0.38 -0.05 -0.05 -0.04 6.97 6.44 2yr5A1 GLN 358 HE22 -0.73 0.11 -0.07 -0.04 7.69 6.96 2yr5A1 ASN 359 H -0.06 0.48 -0.11 -0.55 8.53 8.29 2yr5A1 ASN 359 HA -0.04 -0.03 0.39 -0.75 4.76 4.33 2yr5A1 ASN 359 HB2 -0.02 -0.01 0.11 -0.04 2.88 2.91 2yr5A1 ASN 359 HB3 -0.01 0.11 0.21 -0.04 2.79 3.06 2yr5A1 ASN 359 HD21 -0.00 -0.06 -0.08 -0.04 7.03 6.85 2yr5A1 ASN 359 HD22 0.00 0.06 -0.14 -0.04 7.74 7.62 2yr5A1 VAL 360 H -0.04 0.70 -0.05 -0.55 8.24 8.30 2yr5A1 VAL 360 HA -0.05 0.03 0.43 -0.75 4.13 3.79 2yr5A1 VAL 360 HB -0.12 -0.01 0.05 -0.04 2.12 1.99 2yr5A1 VAL 360 HG13 -0.01 0.02 0.02 -0.04 0.97 0.96 2yr5A1 VAL 360 HG23 -0.29 0.01 -0.07 -0.04 0.95 0.57 2yr5A1 GLY 361 H -0.08 0.38 -0.37 -0.55 8.43 7.81 2yr5A1 GLY 361 HA2 -0.07 0.25 0.14 -0.51 4.01 3.82 2yr5A1 GLY 361 HA3 -0.06 -0.08 0.36 -0.51 4.01 3.72 2yr5A1 ALA 362 H -0.04 0.34 -0.86 -0.55 8.40 7.29 2yr5A1 ALA 362 HA -0.02 0.00 0.29 -0.75 4.34 3.85 2yr5A1 ALA 362 HB3 -0.02 0.02 0.11 -0.04 1.41 1.48 2yr5A1 GLY 363 H -0.03 0.15 -0.14 -0.55 8.43 7.86 2yr5A1 GLY 363 HA2 -0.01 -0.03 0.33 -0.51 4.01 3.78 2yr5A1 GLY 363 HA3 -0.01 0.09 0.57 -0.51 4.01 4.15 2yr5A1 LYS 364 H -0.02 0.53 -0.46 -0.55 8.42 7.92 2yr5A1 LYS 364 HA 0.01 0.09 0.76 -0.75 4.32 4.41 2yr5A1 LYS 364 HB2 -0.02 0.23 -0.11 -0.04 1.87 1.94 2yr5A1 LYS 364 HB3 0.00 -0.04 0.06 -0.04 1.79 1.77 2yr5A1 LYS 364 HG2 0.00 -0.12 -0.08 -0.04 1.46 1.22 2yr5A1 LYS 364 HG3 -0.01 0.11 -0.04 -0.04 1.46 1.48 2yr5A1 LYS 364 HD2 -0.01 0.18 0.04 -0.04 1.69 1.86 2yr5A1 LYS 364 HD3 0.01 0.02 -0.03 -0.04 1.68 1.63 2yr5A1 LYS 364 HE2 -0.00 -0.14 -0.02 -0.04 2.99 2.79 2yr5A1 LYS 364 HE3 -0.00 0.05 -0.01 -0.04 2.99 2.99 2yr5A1 LEU 365 H -0.02 0.05 -0.14 -0.55 8.37 7.71 2yr5A1 LEU 365 HA 0.00 0.33 0.81 -0.75 4.35 4.73 2yr5A1 LEU 365 HB2 -0.04 0.05 0.06 -0.04 1.64 1.67 2yr5A1 LEU 365 HB3 -0.05 -0.05 0.13 -0.04 1.64 1.64 2yr5A1 LEU 365 HG -0.03 -0.06 -0.44 -0.04 1.64 1.07 2yr5A1 LEU 365 HD13 -0.01 0.03 -0.17 -0.04 0.93 0.75 2yr5A1 LEU 365 HD23 -0.06 -0.02 -0.18 -0.04 0.89 0.59 2yr5A1 VAL 366 H 0.02 0.64 0.30 -0.55 8.24 8.64 2yr5A1 VAL 366 HA -0.00 0.10 0.79 -0.75 4.13 4.26 2yr5A1 VAL 366 HB 0.03 -0.02 0.10 -0.04 2.12 2.19 2yr5A1 VAL 366 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.79 2yr5A1 VAL 366 HG23 0.01 0.02 -0.16 -0.04 0.95 0.78 2yr5A1 VAL 367 H 0.01 0.24 0.14 -0.55 8.24 8.08 2yr5A1 VAL 367 HA 0.04 0.31 1.04 -0.75 4.13 4.76 2yr5A1 VAL 367 HB 0.02 -0.01 0.03 -0.04 2.12 2.12 2yr5A1 VAL 367 HG13 0.17 -0.02 -0.17 -0.04 0.97 0.91 2yr5A1 VAL 367 HG23 -0.02 0.01 -0.27 -0.04 0.95 0.63 2yr5A1 GLN 368 H 0.04 0.66 0.41 -0.55 8.47 9.03 2yr5A1 GLN 368 HA 0.03 0.15 0.84 -0.75 4.36 4.62 2yr5A1 GLN 368 HB2 0.01 -0.02 0.04 -0.04 2.15 2.13 2yr5A1 GLN 368 HB3 -0.01 0.02 -0.04 -0.04 2.02 1.95 2yr5A1 GLN 368 HG2 0.02 0.06 0.03 -0.04 2.40 2.46 2yr5A1 GLN 368 HG3 0.02 -0.03 -0.39 -0.04 2.39 1.95 2yr5A1 GLN 368 HE21 0.01 -0.02 -0.04 -0.04 6.97 6.87 2yr5A1 GLN 368 HE22 0.01 0.03 -0.03 -0.04 7.69 7.65 2yr5A1 VAL 369 H 0.01 0.21 0.15 -0.55 8.24 8.06 2yr5A1 VAL 369 HA -0.04 0.19 0.84 -0.75 4.13 4.37 2yr5A1 VAL 369 HB -0.00 0.02 0.11 -0.04 2.12 2.20 2yr5A1 VAL 369 HG13 -0.04 -0.01 -0.25 -0.04 0.97 0.63 2yr5A1 VAL 369 HG23 -0.07 0.02 -0.08 -0.04 0.95 0.78 2yr5A1 ARG 370 H -0.11 0.84 0.36 -0.55 8.46 9.00 2yr5A1 ARG 370 HA -0.11 0.18 0.91 -0.75 4.34 4.57 2yr5A1 ARG 370 HB2 -0.52 -0.04 0.01 -0.04 1.90 1.31 2yr5A1 ARG 370 HB3 -0.29 -0.03 -0.17 -0.04 1.80 1.28 2yr5A1 ARG 370 HG2 -0.23 0.04 -0.18 -0.04 1.67 1.26 2yr5A1 ARG 370 HG3 -0.28 0.02 -0.35 -0.04 1.67 1.02 2yr5A1 ARG 370 HD2 -1.30 -0.02 -0.25 -0.04 3.22 1.61 2yr5A1 ARG 370 HD3 -0.61 -0.03 -0.21 -0.04 3.22 2.33 2yr5A1 GLN 371 H -0.09 0.20 0.01 -0.55 8.47 8.04 2yr5A1 GLN 371 HA -0.02 0.37 0.74 -0.75 4.36 4.69 2yr5A1 GLN 371 HB2 -0.61 0.04 0.07 -0.04 2.15 1.60 2yr5A1 GLN 371 HB3 -0.22 -0.07 0.23 -0.04 2.02 1.92 2yr5A1 GLN 371 HG2 -0.19 -0.07 -0.00 -0.04 2.40 2.10 2yr5A1 GLN 371 HG3 -0.45 0.14 -0.02 -0.04 2.39 2.02 2yr5A1 GLN 371 HE21 -0.15 0.01 0.05 -0.04 6.97 6.84 2yr5A1 GLN 371 HE22 -0.14 0.04 -0.02 -0.04 7.69 7.52 2yr5A1 GLU 372 H 0.07 0.36 -0.19 -0.55 8.60 8.29 2yr5A1 GLU 372 HA 0.08 0.26 0.73 -0.75 4.29 4.61 2yr5A1 GLU 372 HB2 0.19 -0.05 -0.27 -0.04 2.09 1.92 2yr5A1 GLU 372 HB3 0.19 0.01 -0.34 -0.04 1.99 1.81 2yr5A1 GLU 372 HG2 0.03 0.01 -0.35 -0.04 2.34 1.98 2yr5A1 GLU 372 HG3 -0.07 -0.14 -0.78 -0.04 2.34 1.31 2yr5A1 ARG 373 H 0.14 0.70 0.22 -0.55 8.46 8.97 2yr5A1 ARG 373 HA 0.11 0.00 0.77 -0.75 4.34 4.47 2yr5A1 ARG 373 HB2 0.09 -0.01 0.05 -0.04 1.90 1.99 2yr5A1 ARG 373 HB3 0.16 0.02 0.14 -0.04 1.80 2.08 2yr5A1 ARG 373 HG2 0.11 0.14 -0.41 -0.04 1.67 1.47 2yr5A1 ARG 373 HG3 0.08 -0.06 -0.01 -0.04 1.67 1.64 2yr5A1 ARG 373 HD2 0.07 0.05 -0.06 -0.04 3.22 3.24 2yr5A1 ARG 373 HD3 0.06 -0.04 -0.03 -0.04 3.22 3.17 2yr5A1 VAL 374 H 0.05 0.10 0.06 -0.55 8.24 7.90 2yr5A1 VAL 374 HA -0.03 0.13 0.74 -0.75 4.13 4.22 2yr5A1 VAL 374 HB -0.07 -0.05 0.07 -0.04 2.12 2.03 2yr5A1 VAL 374 HG13 -0.11 0.03 -0.19 -0.04 0.97 0.66 2yr5A1 VAL 374 HG23 -0.42 -0.00 -0.11 -0.04 0.95 0.37 2yr5A1 ALA 375 H -0.01 0.68 0.44 -0.55 8.40 8.96 2yr5A1 ALA 375 HA 0.07 0.17 0.82 -0.75 4.34 4.65 2yr5A1 ALA 375 HB3 0.19 -0.02 -0.08 -0.04 1.41 1.47 2yr5A1 ASN 376 H -0.03 0.36 0.28 -0.55 8.53 8.59 2yr5A1 ASN 376 HA -0.05 0.31 0.93 -0.75 4.76 5.19 2yr5A1 ASN 376 HB2 0.01 -0.13 -0.06 -0.04 2.88 2.66 2yr5A1 ASN 376 HB3 -0.06 0.11 -0.04 -0.04 2.79 2.76 2yr5A1 ASN 376 HD21 0.01 -0.03 0.02 -0.04 7.03 6.99 2yr5A1 ASN 376 HD22 -0.04 0.05 0.02 -0.04 7.74 7.74 2yr5A1 ALA 377 H -0.16 0.72 0.37 -0.55 8.40 8.78 2yr5A1 ALA 377 HA -0.13 0.32 0.95 -0.75 4.34 4.73 2yr5A1 ALA 377 HB3 -0.36 -0.02 0.00 -0.04 1.41 0.99 2yr5A1 CYS 378 H -0.15 0.56 0.33 -0.55 8.50 8.68 2yr5A1 CYS 378 HA -0.27 0.06 0.46 -0.75 4.58 4.07 2yr5A1 CYS 378 HB2 -0.13 0.21 0.09 -0.04 2.97 3.10 2yr5A1 CYS 378 HB3 -0.22 0.04 -0.18 -0.04 2.97 2.57 2yr5A1 HIS 379 H 0.14 0.62 0.12 -0.55 8.41 8.75 2yr5A1 HIS 379 HA 0.15 0.32 1.08 -0.75 4.63 5.42 2yr5A1 HIS 379 HB2 0.17 -0.07 0.12 -0.04 3.26 3.44 2yr5A1 HIS 379 HB3 0.11 0.08 0.06 -0.04 3.20 3.41 2yr5A1 HIS 379 HD2 0.08 0.06 0.00 -0.04 6.97 7.06 2yr5A1 HIS 379 HE1 0.19 0.12 0.16 -0.04 7.75 8.18 2yr5A1 SER 380 H 0.13 0.60 0.33 -0.55 8.46 8.97 2yr5A1 SER 380 HA 0.18 0.41 0.54 -0.75 4.49 4.85 2yr5A1 SER 380 HB2 0.15 0.12 0.01 -0.04 3.95 4.19 2yr5A1 SER 380 HB3 0.03 -0.05 -0.31 -0.04 3.93 3.56 2yr5A1 GLY 381 H 0.14 0.53 0.34 -0.55 8.43 8.89 2yr5A1 GLY 381 HA2 0.10 -0.04 0.34 -0.51 4.01 3.90 2yr5A1 GLY 381 HA3 0.10 -0.05 0.47 -0.51 4.01 4.02 2yr5A1 THR 382 H 0.06 0.00 0.19 -0.55 8.28 7.98 2yr5A1 THR 382 HA 0.05 0.33 0.96 -0.75 4.39 4.98 2yr5A1 THR 382 HB 0.03 0.01 0.15 -0.04 4.32 4.47 2yr5A1 THR 382 HG23 0.06 -0.01 -0.16 -0.04 1.22 1.07 2yr5A1 ALA 383 H 0.04 0.05 0.04 -0.55 8.40 7.99 2yr5A1 ALA 383 HA 0.01 0.09 0.57 -0.75 4.34 4.25 2yr5A1 ALA 383 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 2yr5A1 SER 384 H -0.01 0.03 0.12 -0.55 8.46 8.06 2yr5A1 SER 384 HA -0.02 0.14 0.51 -0.75 4.49 4.37 2yr5A1 SER 384 HB2 -0.02 -0.00 0.13 -0.04 3.95 4.01 2yr5A1 SER 384 HB3 -0.03 -0.11 0.14 -0.04 3.93 3.89 2yr5A1 ALA 385 H -0.03 -0.02 -0.11 -0.55 8.40 7.70 2yr5A1 ALA 385 HA -0.07 0.20 0.65 -0.75 4.34 4.36 2yr5A1 ALA 385 HB3 -0.06 -0.03 -0.19 -0.04 1.41 1.08 2yr5A1 ARG 386 H -0.02 0.28 0.17 -0.55 8.46 8.34 2yr5A1 ARG 386 HA 0.05 0.21 0.81 -0.75 4.34 4.66 2yr5A1 ARG 386 HB2 0.10 0.05 0.04 -0.04 1.90 2.06 2yr5A1 ARG 386 HB3 0.14 -0.11 0.16 -0.04 1.80 1.95 2yr5A1 ARG 386 HG2 0.05 -0.06 -0.26 -0.04 1.67 1.37 2yr5A1 ARG 386 HG3 0.02 0.11 -0.46 -0.04 1.67 1.30 2yr5A1 ARG 386 HD2 0.04 -0.03 -0.06 -0.04 3.22 3.12 2yr5A1 ARG 386 HD3 0.07 0.07 -0.15 -0.04 3.22 3.18 2yr5A1 ALA 387 H -0.03 0.43 0.20 -0.55 8.40 8.46 2yr5A1 ALA 387 HA -0.03 0.18 0.77 -0.75 4.34 4.50 2yr5A1 ALA 387 HB3 -0.44 0.01 -0.03 -0.04 1.41 0.91 2yr5A1 GLN 388 H 0.09 0.75 0.41 -0.55 8.47 9.18 2yr5A1 GLN 388 HA 0.07 0.17 0.61 -0.75 4.36 4.46 2yr5A1 GLN 388 HB2 -0.33 -0.05 -0.03 -0.04 2.15 1.70 2yr5A1 GLN 388 HB3 -0.20 -0.06 -0.20 -0.04 2.02 1.52 2yr5A1 GLN 388 HG2 -0.00 0.22 -0.13 -0.04 2.40 2.44 2yr5A1 GLN 388 HG3 -0.17 -0.06 -0.21 -0.04 2.39 1.91 2yr5A1 GLN 388 HE21 0.13 -0.06 -0.16 -0.04 6.97 6.84 2yr5A1 GLN 388 HE22 0.12 0.16 -0.14 -0.04 7.69 7.79 2yr5A1 LEU 389 H 0.13 0.64 0.34 -0.55 8.37 8.93 2yr5A1 LEU 389 HA -0.02 0.30 1.01 -0.75 4.35 4.88 2yr5A1 LEU 389 HB2 0.15 -0.02 0.06 -0.04 1.64 1.79 2yr5A1 LEU 389 HB3 -0.21 -0.06 -0.08 -0.04 1.64 1.26 2yr5A1 LEU 389 HG 0.12 0.05 -0.37 -0.04 1.64 1.40 2yr5A1 LEU 389 HD13 -0.39 -0.03 -0.16 -0.04 0.93 0.31 2yr5A1 LEU 389 HD23 0.02 0.03 -0.03 -0.04 0.89 0.87 2yr5A1 LEU 390 H -0.04 0.69 0.28 -0.55 8.37 8.76 2yr5A1 LEU 390 HA -0.02 0.30 0.99 -0.75 4.35 4.86 2yr5A1 LEU 390 HB2 0.16 0.01 -0.05 -0.04 1.64 1.71 2yr5A1 LEU 390 HB3 0.01 -0.11 0.12 -0.04 1.64 1.62 2yr5A1 LEU 390 HG -0.21 -0.00 -0.14 -0.04 1.64 1.25 2yr5A1 LEU 390 HD13 -0.08 0.06 -0.08 -0.04 0.93 0.79 2yr5A1 LEU 390 HD23 0.12 -0.01 -0.22 -0.04 0.89 0.74 2yr5A1 SER 391 H -0.08 0.73 0.37 -0.55 8.46 8.93 2yr5A1 SER 391 HA -0.08 0.16 0.96 -0.75 4.49 4.77 2yr5A1 SER 391 HB2 0.19 -0.05 -0.33 -0.04 3.95 3.73 2yr5A1 SER 391 HB3 0.10 -0.04 -0.38 -0.04 3.93 3.57 2yr5A1 TYR 392 H 0.15 0.58 0.25 -0.55 8.29 8.71 2yr5A1 TYR 392 HA 0.13 0.37 0.73 -0.75 4.56 5.03 2yr5A1 TYR 392 HB2 0.06 -0.03 0.09 -0.04 3.06 3.14 2yr5A1 TYR 392 HB3 0.05 -0.00 -0.06 -0.04 2.98 2.93 2yr5A1 TYR 392 HD2 0.04 0.07 -0.26 -0.04 7.15 6.95 2yr5A1 TYR 392 HE2 0.02 -0.03 -0.05 -0.04 6.85 6.75 2yr5A1 ASP 393 H 0.29 0.52 0.16 -0.55 8.40 8.82 2yr5A1 ASP 393 HA 0.09 0.27 0.79 -0.75 4.63 5.02 2yr5A1 ASP 393 HB2 0.07 -0.02 0.23 -0.04 2.71 2.94 2yr5A1 ASP 393 HB3 0.17 0.07 0.04 -0.04 2.70 2.94 2yr5A1 SER 394 H -0.06 0.23 0.23 -0.55 8.46 8.32 2yr5A1 SER 394 HA -0.10 0.15 0.35 -0.75 4.49 4.13 2yr5A1 SER 394 HB2 -0.24 0.03 0.19 -0.04 3.95 3.88 2yr5A1 SER 394 HB3 -0.16 0.07 0.17 -0.04 3.93 3.97 2yr5A1 HIS 395 H -0.01 -0.03 -0.36 -0.55 8.41 7.47 2yr5A1 HIS 395 HA 0.02 0.28 0.89 -0.75 4.63 5.07 2yr5A1 HIS 395 HB2 0.04 -0.06 0.06 -0.04 3.26 3.27 2yr5A1 HIS 395 HB3 0.02 0.05 0.17 -0.04 3.20 3.40 2yr5A1 HIS 395 HD2 0.02 -0.02 -0.02 -0.04 6.97 6.92 2yr5A1 HIS 395 HE1 0.00 0.01 -0.03 -0.04 7.75 7.70 2yr5A1 ASN 396 H 0.06 0.55 -0.28 -0.55 8.53 8.32 2yr5A1 ASN 396 HA 0.09 0.08 0.25 -0.75 4.76 4.43 2yr5A1 ASN 396 HB2 0.02 0.19 -0.12 -0.04 2.88 2.93 2yr5A1 ASN 396 HB3 -0.05 -0.05 0.16 -0.04 2.79 2.81 2yr5A1 ASN 396 HD21 -0.04 -0.01 -0.06 -0.04 7.03 6.89 2yr5A1 ASN 396 HD22 -0.02 0.02 -0.10 -0.04 7.74 7.61 2yr5A1 ALA 397 H 0.15 -0.08 -0.36 -0.55 8.40 7.57 2yr5A1 ALA 397 HA 0.07 0.13 0.76 -0.75 4.34 4.54 2yr5A1 ALA 397 HB3 0.05 0.01 0.03 -0.04 1.41 1.46 2yr5A1 VAL 398 H -0.01 0.10 0.20 -0.55 8.24 7.99 2yr5A1 VAL 398 HA -0.19 0.27 0.65 -0.75 4.13 4.11 2yr5A1 VAL 398 HB 0.16 -0.02 0.10 -0.04 2.12 2.33 2yr5A1 VAL 398 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.80 2yr5A1 VAL 398 HG23 -0.24 0.02 -0.09 -0.04 0.95 0.60 2yr5A1 HIS 399 H -0.15 0.62 0.37 -0.55 8.41 8.70 2yr5A1 HIS 399 HA -0.00 0.14 0.73 -0.75 4.63 4.74 2yr5A1 HIS 399 HB2 0.04 -0.08 -0.09 -0.04 3.26 3.09 2yr5A1 HIS 399 HB3 0.04 0.04 -0.08 -0.04 3.20 3.16 2yr5A1 HIS 399 HD2 0.04 -0.04 -0.30 -0.04 6.97 6.63 2yr5A1 HIS 399 HE1 0.03 -0.03 -0.08 -0.04 7.75 7.63 2yr5A1 SER 400 H 0.04 0.25 0.15 -0.55 8.46 8.35 2yr5A1 SER 400 HA -0.01 0.38 0.98 -0.75 4.49 5.09 2yr5A1 SER 400 HB2 -0.51 -0.03 -0.12 -0.04 3.95 3.25 2yr5A1 SER 400 HB3 -0.28 -0.03 0.02 -0.04 3.93 3.59 2yr5A1 GLU 401 H 0.07 0.56 0.28 -0.55 8.60 8.96 2yr5A1 GLU 401 HA -0.07 0.09 0.68 -0.75 4.29 4.23 2yr5A1 GLU 401 HB2 0.09 -0.02 -0.29 -0.04 2.09 1.82 2yr5A1 GLU 401 HB3 0.18 -0.02 -0.11 -0.04 1.99 2.00 2yr5A1 GLU 401 HG2 -0.28 -0.02 -0.14 -0.04 2.34 1.85 2yr5A1 GLU 401 HG3 -0.52 0.11 -0.04 -0.04 2.34 1.84 2yr5A1 ALA 402 H -0.22 0.17 0.11 -0.55 8.40 7.92 2yr5A1 ALA 402 HA -0.06 0.29 0.65 -0.75 4.34 4.46 2yr5A1 ALA 402 HB3 -0.04 -0.01 -0.21 -0.04 1.41 1.10 2yr5A1 TYR 403 H 0.02 0.51 0.20 -0.55 8.29 8.46 2yr5A1 TYR 403 HA -0.02 0.13 0.91 -0.75 4.56 4.83 2yr5A1 TYR 403 HB2 -0.08 0.03 -0.10 -0.04 3.06 2.87 2yr5A1 TYR 403 HB3 -0.01 0.13 0.06 -0.04 2.98 3.12 2yr5A1 TYR 403 HD2 0.03 0.10 -0.31 -0.04 7.15 6.94 2yr5A1 TYR 403 HE2 0.12 -0.02 -0.19 -0.04 6.85 6.72 2yr5A1 ASP 404 H 0.05 0.50 0.41 -0.55 8.40 8.81 2yr5A1 ASP 404 HA -0.27 0.07 0.80 -0.75 4.63 4.48 2yr5A1 ASP 404 HB2 -0.05 0.06 0.25 -0.04 2.71 2.93 2yr5A1 ASP 404 HB3 -0.61 0.07 0.10 -0.04 2.70 2.23 2yr5A1 PHE 405 H 0.05 0.32 0.28 -0.55 8.34 8.44 2yr5A1 PHE 405 HA -0.02 0.31 0.86 -0.75 4.62 5.01 2yr5A1 PHE 405 HB2 0.06 -0.12 -0.05 -0.04 3.15 3.01 2yr5A1 PHE 405 HB3 0.14 0.07 0.04 -0.04 3.06 3.27 2yr5A1 PHE 405 HD2 0.18 -0.02 -0.03 -0.04 7.28 7.37 2yr5A1 PHE 405 HE2 0.27 0.02 -0.10 -0.04 7.38 7.53 2yr5A1 PHE 405 HZ 0.16 0.04 -0.03 -0.04 7.32 7.45 2yr5A1 VAL 406 H -0.02 0.76 0.36 -0.55 8.24 8.79 2yr5A1 VAL 406 HA -0.05 0.20 1.02 -0.75 4.13 4.54 2yr5A1 VAL 406 HB -0.63 0.00 -0.01 -0.04 2.12 1.44 2yr5A1 VAL 406 HG13 0.07 -0.03 -0.31 -0.04 0.97 0.67 2yr5A1 VAL 406 HG23 -0.23 -0.01 -0.30 -0.04 0.95 0.37 2yr5A1 ILE 407 H 0.05 0.69 0.33 -0.55 8.25 8.77 2yr5A1 ILE 407 HA 0.22 0.21 0.84 -0.75 4.18 4.70 2yr5A1 ILE 407 HB 0.08 -0.04 0.13 -0.04 1.89 2.02 2yr5A1 ILE 407 HG12 0.16 0.06 -0.18 -0.04 1.49 1.49 2yr5A1 ILE 407 HG13 0.11 -0.01 -0.27 -0.04 1.21 0.99 2yr5A1 ILE 407 HG23 0.13 -0.02 -0.35 -0.04 0.93 0.64 2yr5A1 ILE 407 HD13 0.01 0.00 -0.17 -0.04 0.88 0.68 2yr5A1 LEU 408 H 0.17 0.93 0.24 -0.55 8.37 9.17 2yr5A1 LEU 408 HA 0.08 0.01 0.75 -0.75 4.35 4.44 2yr5A1 LEU 408 HB2 0.06 0.05 0.22 -0.04 1.64 1.93 2yr5A1 LEU 408 HB3 0.05 -0.04 0.05 -0.04 1.64 1.66 2yr5A1 LEU 408 HG 0.25 0.04 -0.17 -0.04 1.64 1.73 2yr5A1 LEU 408 HD13 -0.04 0.01 -0.14 -0.04 0.93 0.72 2yr5A1 LEU 408 HD23 0.07 -0.00 -0.13 -0.04 0.89 0.79 2yr5A1 ALA 409 H 0.08 0.65 0.22 -0.55 8.40 8.81 2yr5A1 ALA 409 HA 0.15 0.19 0.69 -0.75 4.34 4.61 2yr5A1 ALA 409 HB3 0.08 -0.03 0.02 -0.04 1.41 1.44 2yr5A1 VAL 410 H 0.17 0.38 -0.26 -0.55 8.24 7.98 2yr5A1 VAL 410 HA 0.06 0.07 0.89 -0.75 4.13 4.39 2yr5A1 VAL 410 HB 0.06 -0.01 -0.02 -0.04 2.12 2.10 2yr5A1 VAL 410 HG13 0.06 0.01 -0.29 -0.04 0.97 0.71 2yr5A1 VAL 410 HG23 0.08 0.05 -0.32 -0.04 0.95 0.72 2yr5A1 PRO 411 HA -0.14 0.04 0.43 -0.51 4.44 4.26 2yr5A1 PRO 411 HB2 -0.15 0.06 0.07 -0.04 2.28 2.22 2yr5A1 PRO 411 HB3 -0.10 -0.09 0.10 -0.04 2.02 1.89 2yr5A1 PRO 411 HG2 -0.03 0.07 0.03 -0.04 2.03 2.06 2yr5A1 PRO 411 HG3 -0.03 0.06 0.06 -0.04 2.03 2.08 2yr5A1 PRO 411 HD2 0.03 0.14 0.20 -0.04 3.68 4.01 2yr5A1 PRO 411 HD3 -0.00 0.06 0.16 -0.04 3.65 3.83 2yr5A1 HIS 412 H -0.06 0.10 0.11 -0.55 8.41 8.02 2yr5A1 HIS 412 HA 0.22 0.10 -0.02 -0.75 4.63 4.17 2yr5A1 HIS 412 HB2 0.12 0.33 0.03 -0.04 3.26 3.70 2yr5A1 HIS 412 HB3 0.15 -0.04 0.08 -0.04 3.20 3.35 2yr5A1 HIS 412 HD2 0.03 0.18 -0.13 -0.04 6.97 7.00 2yr5A1 HIS 412 HE1 -0.06 -0.06 -0.44 -0.04 7.75 7.15 2yr5A1 ASP 413 H -0.43 0.08 -0.09 -0.55 8.40 7.42 2yr5A1 ASP 413 HA 0.04 0.15 0.58 -0.75 4.63 4.64 2yr5A1 ASP 413 HB2 -0.12 0.09 -0.03 -0.04 2.71 2.61 2yr5A1 ASP 413 HB3 -0.02 0.04 0.03 -0.04 2.70 2.70 2yr5A1 GLN 414 H -0.02 0.05 -0.34 -0.55 8.47 7.61 2yr5A1 GLN 414 HA 0.03 0.17 0.57 -0.75 4.36 4.37 2yr5A1 GLN 414 HB2 0.03 -0.02 -0.01 -0.04 2.15 2.11 2yr5A1 GLN 414 HB3 0.04 -0.03 -0.01 -0.04 2.02 1.98 2yr5A1 GLN 414 HG2 0.03 0.13 -0.08 -0.04 2.40 2.44 2yr5A1 GLN 414 HG3 0.01 -0.01 -0.09 -0.04 2.39 2.27 2yr5A1 GLN 414 HE21 0.08 -0.12 -0.09 -0.04 6.97 6.80 2yr5A1 GLN 414 HE22 0.06 0.11 -0.11 -0.04 7.69 7.71 2yr5A1 LEU 415 H 0.08 0.31 -0.32 -0.55 8.37 7.90 2yr5A1 LEU 415 HA 0.03 0.02 0.34 -0.75 4.35 3.99 2yr5A1 LEU 415 HB2 0.16 0.04 -0.16 -0.04 1.64 1.65 2yr5A1 LEU 415 HB3 0.14 0.08 -0.05 -0.04 1.64 1.77 2yr5A1 LEU 415 HG -0.04 -0.01 -0.20 -0.04 1.64 1.35 2yr5A1 LEU 415 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 2yr5A1 LEU 415 HD23 -0.14 0.01 -0.10 -0.04 0.89 0.61 2yr5A1 THR 416 H 0.06 0.46 -0.16 -0.55 8.28 8.10 2yr5A1 THR 416 HA 0.03 -0.03 0.31 -0.75 4.39 3.94 2yr5A1 THR 416 HB 0.05 0.15 0.12 -0.04 4.32 4.60 2yr5A1 THR 416 HG23 0.04 -0.01 -0.11 -0.04 1.22 1.09 2yr5A1 PRO 417 HA 0.00 0.00 0.37 -0.51 4.44 4.31 2yr5A1 PRO 417 HB2 0.02 0.08 -0.02 -0.04 2.28 2.33 2yr5A1 PRO 417 HB3 0.02 -0.04 0.09 -0.04 2.02 2.05 2yr5A1 PRO 417 HG2 0.02 0.15 -0.01 -0.04 2.03 2.15 2yr5A1 PRO 417 HG3 0.02 -0.00 0.04 -0.04 2.03 2.05 2yr5A1 PRO 417 HD2 0.03 0.08 -0.54 -0.04 3.68 3.21 2yr5A1 PRO 417 HD3 0.03 0.14 0.06 -0.04 3.65 3.83 2yr5A1 ILE 418 H -0.01 0.38 -0.46 -0.55 8.25 7.61 2yr5A1 ILE 418 HA -0.04 0.22 0.35 -0.75 4.18 3.95 2yr5A1 ILE 418 HB -0.04 0.16 0.02 -0.04 1.89 1.99 2yr5A1 ILE 418 HG12 -0.01 -0.04 -0.42 -0.04 1.49 0.97 2yr5A1 ILE 418 HG13 0.00 0.08 -0.07 -0.04 1.21 1.18 2yr5A1 ILE 418 HG23 -0.09 -0.06 -0.27 -0.04 0.93 0.46 2yr5A1 ILE 418 HD13 -0.00 -0.05 -0.11 -0.04 0.88 0.68 2yr5A1 VAL 419 H -0.06 0.43 -0.10 -0.55 8.24 7.96 2yr5A1 VAL 419 HA -0.17 0.25 1.10 -0.75 4.13 4.56 2yr5A1 VAL 419 HB -0.14 -0.07 0.11 -0.04 2.12 1.97 2yr5A1 VAL 419 HG13 -0.18 0.00 -0.18 -0.04 0.97 0.58 2yr5A1 VAL 419 HG23 -0.06 0.04 -0.17 -0.04 0.95 0.72 2yr5A1 SER 420 H -0.05 0.33 0.01 -0.55 8.46 8.20 2yr5A1 SER 420 HA -0.07 0.21 0.85 -0.75 4.49 4.73 2yr5A1 SER 420 HB2 0.06 -0.06 0.11 -0.04 3.95 4.01 2yr5A1 SER 420 HB3 0.02 -0.00 0.04 -0.04 3.93 3.95 2yr5A1 ARG 421 H -0.10 0.20 -0.07 -0.55 8.46 7.94 2yr5A1 ARG 421 HA -0.08 0.19 0.85 -0.75 4.34 4.55 2yr5A1 ARG 421 HB2 -0.04 0.10 0.10 -0.04 1.90 2.02 2yr5A1 ARG 421 HB3 -0.03 -0.04 0.20 -0.04 1.80 1.89 2yr5A1 ARG 421 HG2 -0.01 0.01 -0.10 -0.04 1.67 1.53 2yr5A1 ARG 421 HG3 -0.02 0.03 -0.02 -0.04 1.67 1.62 2yr5A1 ARG 421 HD2 0.00 -0.07 0.06 -0.04 3.22 3.17 2yr5A1 ARG 421 HD3 0.01 -0.04 0.03 -0.04 3.22 3.17 2yr5A1 SER 422 H -0.21 0.19 -0.20 -0.55 8.46 7.70 2yr5A1 SER 422 HA -0.12 0.10 0.56 -0.75 4.49 4.28 2yr5A1 SER 422 HB2 -0.17 0.06 -0.02 -0.04 3.95 3.77 2yr5A1 SER 422 HB3 -0.15 0.03 -0.07 -0.04 3.93 3.69 2yr5A1 GLY 423 H -0.36 0.09 -0.30 -0.55 8.43 7.31 2yr5A1 GLY 423 HA2 -0.66 0.02 0.23 -0.51 4.01 3.10 2yr5A1 GLY 423 HA3 -0.25 0.03 0.49 -0.51 4.01 3.78 2yr5A1 PHE 424 H -0.04 0.08 0.15 -0.55 8.34 7.97 2yr5A1 PHE 424 HA -0.00 0.24 0.70 -0.75 4.62 4.81 2yr5A1 PHE 424 HB2 0.00 -0.05 0.06 -0.04 3.15 3.12 2yr5A1 PHE 424 HB3 0.01 0.05 0.18 -0.04 3.06 3.25 2yr5A1 PHE 424 HD2 -0.01 0.02 -0.20 -0.04 7.28 7.05 2yr5A1 PHE 424 HE2 -0.01 0.02 -0.02 -0.04 7.38 7.32 2yr5A1 PHE 424 HZ -0.01 0.05 -0.01 -0.04 7.32 7.31 2yr5A1 GLU 425 H -0.03 0.29 0.07 -0.55 8.60 8.38 2yr5A1 GLU 425 HA 0.10 0.14 0.60 -0.75 4.29 4.38 2yr5A1 GLU 425 HB2 0.08 -0.04 0.13 -0.04 2.09 2.21 2yr5A1 GLU 425 HB3 0.09 0.04 -0.23 -0.04 1.99 1.85 2yr5A1 GLU 425 HG2 0.05 -0.20 -0.10 -0.04 2.34 2.04 2yr5A1 GLU 425 HG3 0.01 0.29 -0.18 -0.04 2.34 2.41 2yr5A1 HIS 426 H 0.04 0.08 0.12 -0.55 8.41 8.11 2yr5A1 HIS 426 HA -0.91 0.33 0.45 -0.75 4.63 3.74 2yr5A1 HIS 426 HB2 -0.39 0.04 0.07 -0.04 3.26 2.94 2yr5A1 HIS 426 HB3 -0.13 -0.08 0.09 -0.04 3.20 3.04 2yr5A1 HIS 426 HD2 -0.41 0.10 -0.17 -0.04 6.97 6.44 2yr5A1 HIS 426 HE1 -0.04 -0.08 -0.14 -0.04 7.75 7.45 2yr5A1 ALA 427 H -0.82 0.62 0.33 -0.55 8.40 7.98 2yr5A1 ALA 427 HA -0.29 0.09 0.79 -0.75 4.34 4.17 2yr5A1 ALA 427 HB3 -0.19 0.02 -0.04 -0.04 1.41 1.16 2yr5A1 ALA 428 H -0.15 0.17 0.15 -0.55 8.40 8.03 2yr5A1 ALA 428 HA -0.09 0.03 0.49 -0.75 4.34 4.02 2yr5A1 ALA 428 HB3 0.02 0.01 0.13 -0.04 1.41 1.54 2yr5A1 SER 429 H -0.08 0.22 -0.02 -0.55 8.46 8.04 2yr5A1 SER 429 HA -0.01 0.33 0.89 -0.75 4.49 4.94 2yr5A1 SER 429 HB2 -0.02 -0.04 -0.26 -0.04 3.95 3.60 2yr5A1 SER 429 HB3 -0.02 -0.05 -0.06 -0.04 3.93 3.75 2yr5A1 GLN 430 H 0.03 0.69 0.31 -0.55 8.47 8.95 2yr5A1 GLN 430 HA -0.01 0.11 0.69 -0.75 4.36 4.39 2yr5A1 GLN 430 HB2 0.05 -0.01 -0.05 -0.04 2.15 2.10 2yr5A1 GLN 430 HB3 0.01 0.03 -0.09 -0.04 2.02 1.93 2yr5A1 GLN 430 HG2 -0.05 0.04 -0.04 -0.04 2.40 2.31 2yr5A1 GLN 430 HG3 -0.06 -0.14 -0.63 -0.04 2.39 1.52 2yr5A1 GLN 430 HE21 -0.12 0.32 -0.08 -0.04 6.97 7.06 2yr5A1 GLN 430 HE22 -0.10 -0.11 -0.10 -0.04 7.69 7.35 2yr5A1 ASN 431 H 0.01 0.20 0.02 -0.55 8.53 8.21 2yr5A1 ASN 431 HA 0.00 0.21 0.69 -0.75 4.76 4.91 2yr5A1 ASN 431 HB2 0.00 0.00 0.15 -0.04 2.88 3.00 2yr5A1 ASN 431 HB3 -0.00 -0.00 -0.06 -0.04 2.79 2.69 2yr5A1 ASN 431 HD21 -0.02 0.01 -0.08 -0.04 7.03 6.90 2yr5A1 ASN 431 HD22 -0.01 0.01 -0.03 -0.04 7.74 7.68 2yr5A1 LEU 432 H 0.14 0.57 0.18 -0.55 8.37 8.72 2yr5A1 LEU 432 HA 0.07 0.16 0.71 -0.75 4.35 4.55 2yr5A1 LEU 432 HB2 0.34 0.02 0.01 -0.04 1.64 1.96 2yr5A1 LEU 432 HB3 0.11 -0.00 -0.02 -0.04 1.64 1.69 2yr5A1 LEU 432 HG 0.20 -0.02 -0.21 -0.04 1.64 1.56 2yr5A1 LEU 432 HD13 -0.04 0.02 -0.17 -0.04 0.93 0.70 2yr5A1 LEU 432 HD23 0.01 0.02 -0.19 -0.04 0.89 0.69 2yr5A1 GLY 433 H 0.08 0.28 0.17 -0.55 8.43 8.41 2yr5A1 GLY 433 HA2 0.16 0.04 0.14 -0.51 4.01 3.84 2yr5A1 GLY 433 HA3 0.18 0.23 0.72 -0.51 4.01 4.64 2yr5A1 ASP 434 H 0.29 0.25 -0.11 -0.55 8.40 8.28 2yr5A1 ASP 434 HA 0.05 0.19 0.66 -0.75 4.63 4.79 2yr5A1 ASP 434 HB2 -0.14 0.04 0.09 -0.04 2.71 2.66 2yr5A1 ASP 434 HB3 -0.06 -0.06 0.15 -0.04 2.70 2.69 2yr5A1 ALA 435 H 0.04 0.45 -0.28 -0.55 8.40 8.07 2yr5A1 ALA 435 HA 0.01 0.23 0.31 -0.75 4.34 4.14 2yr5A1 ALA 435 HB3 0.02 0.02 -0.02 -0.04 1.41 1.39 2yr5A1 GLY 436 H 0.00 0.12 -0.18 -0.55 8.43 7.83 2yr5A1 GLY 436 HA2 -0.01 0.10 0.46 -0.51 4.01 4.05 2yr5A1 GLY 436 HA3 -0.00 0.03 0.28 -0.51 4.01 3.81 2yr5A1 LEU 437 H -0.03 0.21 -0.40 -0.55 8.37 7.61 2yr5A1 LEU 437 HA -0.03 0.11 0.61 -0.75 4.35 4.28 2yr5A1 LEU 437 HB2 -0.11 0.07 0.06 -0.04 1.64 1.63 2yr5A1 LEU 437 HB3 -0.08 0.00 0.12 -0.04 1.64 1.64 2yr5A1 LEU 437 HG -0.04 -0.09 -0.01 -0.04 1.64 1.46 2yr5A1 LEU 437 HD13 -0.07 -0.00 0.00 -0.04 0.93 0.82 2yr5A1 LEU 437 HD23 -0.02 0.01 -0.08 -0.04 0.89 0.75 2yr5A1 GLY 438 H -0.03 0.41 -0.47 -0.55 8.43 7.80 2yr5A1 GLY 438 HA2 -0.02 0.04 0.27 -0.51 4.01 3.80 2yr5A1 GLY 438 HA3 -0.03 0.05 0.55 -0.51 4.01 4.08 2yr5A1 LEU 439 H -0.07 0.23 -0.17 -0.55 8.37 7.82 2yr5A1 LEU 439 HA -0.06 0.18 0.58 -0.75 4.35 4.29 2yr5A1 LEU 439 HB2 -0.28 -0.07 -0.07 -0.04 1.64 1.18 2yr5A1 LEU 439 HB3 -0.42 0.01 0.04 -0.04 1.64 1.23 2yr5A1 LEU 439 HG -0.22 0.00 -0.17 -0.04 1.64 1.21 2yr5A1 LEU 439 HD13 -0.80 -0.02 -0.02 -0.04 0.93 0.05 2yr5A1 LEU 439 HD23 -0.14 0.05 -0.12 -0.04 0.89 0.64 2yr5A1 GLU 440 H 0.11 0.14 0.14 -0.55 8.60 8.45 2yr5A1 GLU 440 HA 0.05 0.03 0.31 -0.75 4.29 3.93 2yr5A1 GLU 440 HB2 0.06 0.01 0.14 -0.04 2.09 2.26 2yr5A1 GLU 440 HB3 0.13 -0.06 0.11 -0.04 1.99 2.13 2yr5A1 GLU 440 HG2 0.04 0.26 -0.11 -0.04 2.34 2.49 2yr5A1 GLU 440 HG3 0.03 -0.04 0.05 -0.04 2.34 2.34 2yr5A1 THR 441 H 0.05 0.07 0.11 -0.55 8.28 7.97 2yr5A1 THR 441 HA 0.11 0.25 0.75 -0.75 4.39 4.75 2yr5A1 THR 441 HB 0.05 -0.00 -0.29 -0.04 4.32 4.03 2yr5A1 THR 441 HG23 0.06 -0.00 -0.34 -0.04 1.22 0.90 2yr5A1 HIS 442 H 0.09 0.65 0.23 -0.55 8.41 8.84 2yr5A1 HIS 442 HA -0.13 0.09 0.76 -0.75 4.63 4.60 2yr5A1 HIS 442 HB2 -0.12 0.02 -0.18 -0.04 3.26 2.94 2yr5A1 HIS 442 HB3 -0.19 -0.01 -0.01 -0.04 3.20 2.94 2yr5A1 HIS 442 HD2 -0.13 -0.00 -0.08 -0.04 6.97 6.72 2yr5A1 HIS 442 HE1 -0.33 0.01 -0.10 -0.04 7.75 7.29 2yr5A1 THR 443 H -0.53 0.15 0.09 -0.55 8.28 7.44 2yr5A1 THR 443 HA -0.12 0.27 0.84 -0.75 4.39 4.63 2yr5A1 THR 443 HB -0.24 -0.02 0.10 -0.04 4.32 4.12 2yr5A1 THR 443 HG23 -0.07 -0.01 -0.22 -0.04 1.22 0.88 2yr5A1 TYR 444 H 0.08 0.69 0.41 -0.55 8.29 8.93 2yr5A1 TYR 444 HA 0.09 0.13 0.80 -0.75 4.56 4.82 2yr5A1 TYR 444 HB2 0.03 -0.01 0.01 -0.04 3.06 3.05 2yr5A1 TYR 444 HB3 0.05 0.07 -0.11 -0.04 2.98 2.95 2yr5A1 TYR 444 HD2 0.09 0.01 -0.10 -0.04 7.15 7.11 2yr5A1 TYR 444 HE2 -0.03 -0.03 -0.20 -0.04 6.85 6.55 2yr5A1 ASN 445 H 0.16 0.21 0.15 -0.55 8.53 8.50 2yr5A1 ASN 445 HA 0.03 0.28 1.08 -0.75 4.76 5.40 2yr5A1 ASN 445 HB2 0.06 -0.05 0.09 -0.04 2.88 2.93 2yr5A1 ASN 445 HB3 0.04 0.05 0.13 -0.04 2.79 2.96 2yr5A1 ASN 445 HD21 -0.03 -0.00 -0.13 -0.04 7.03 6.83 2yr5A1 ASN 445 HD22 0.01 -0.00 -0.04 -0.04 7.74 7.67 2yr5A1 GLN 446 H 0.00 0.59 0.32 -0.55 8.47 8.85 2yr5A1 GLN 446 HA 0.05 0.03 0.42 -0.75 4.36 4.10 2yr5A1 GLN 446 HB2 0.14 -0.02 0.14 -0.04 2.15 2.37 2yr5A1 GLN 446 HB3 0.24 0.06 0.14 -0.04 2.02 2.42 2yr5A1 GLN 446 HG2 0.09 -0.09 -0.13 -0.04 2.40 2.23 2yr5A1 GLN 446 HG3 0.12 0.01 -0.04 -0.04 2.39 2.43 2yr5A1 GLN 446 HE21 0.14 -0.05 0.06 -0.04 6.97 7.08 2yr5A1 GLN 446 HE22 0.08 -0.01 0.08 -0.04 7.69 7.79 2yr5A1 VAL 447 H -0.25 0.57 0.14 -0.55 8.24 8.15 2yr5A1 VAL 447 HA 0.04 0.37 0.63 -0.75 4.13 4.43 2yr5A1 VAL 447 HB -0.16 -0.07 -0.03 -0.04 2.12 1.81 2yr5A1 VAL 447 HG13 -0.07 0.01 -0.20 -0.04 0.97 0.68 2yr5A1 VAL 447 HG23 0.03 -0.04 -0.39 -0.04 0.95 0.50 2yr5A1 TYR 448 H 0.20 0.76 0.38 -0.55 8.29 9.08 2yr5A1 TYR 448 HA 0.01 0.17 0.74 -0.75 4.56 4.72 2yr5A1 TYR 448 HB2 0.07 0.01 0.01 -0.04 3.06 3.10 2yr5A1 TYR 448 HB3 0.03 0.06 -0.04 -0.04 2.98 2.98 2yr5A1 TYR 448 HD2 0.06 0.08 -0.17 -0.04 7.15 7.07 2yr5A1 TYR 448 HE2 0.13 -0.02 -0.09 -0.04 6.85 6.83 2yr5A1 PRO 449 HA -0.08 0.13 0.37 -0.51 4.44 4.35 2yr5A1 PRO 449 HB2 0.03 -0.05 -0.24 -0.04 2.28 1.99 2yr5A1 PRO 449 HB3 -0.07 0.17 0.05 -0.04 2.02 2.14 2yr5A1 PRO 449 HG2 0.09 0.02 -0.15 -0.04 2.03 1.95 2yr5A1 PRO 449 HG3 -0.03 0.07 -0.16 -0.04 2.03 1.87 2yr5A1 PRO 449 HD2 0.21 0.07 -0.02 -0.04 3.68 3.91 2yr5A1 PRO 449 HD3 0.01 0.24 -0.09 -0.04 3.65 3.77 2yr5A1 PRO 450 HA -0.49 0.08 0.45 -0.51 4.44 3.97 2yr5A1 PRO 450 HB2 -1.12 -0.02 -0.13 -0.04 2.28 0.97 2yr5A1 PRO 450 HB3 -1.24 -0.03 -0.27 -0.04 2.02 0.43 2yr5A1 PRO 450 HG2 -0.31 -0.05 0.12 -0.04 2.03 1.74 2yr5A1 PRO 450 HG3 -0.37 0.21 0.09 -0.04 2.03 1.92 2yr5A1 PRO 450 HD2 -0.18 0.14 0.26 -0.04 3.68 3.86 2yr5A1 PRO 450 HD3 -0.24 0.27 0.30 -0.04 3.65 3.94 2yr5A1 LEU 451 H -0.13 0.18 -0.16 -0.55 8.37 7.71 2yr5A1 LEU 451 HA 0.07 0.16 0.52 -0.75 4.35 4.34 2yr5A1 LEU 451 HB2 -0.06 0.01 0.14 -0.04 1.64 1.69 2yr5A1 LEU 451 HB3 -0.13 0.02 0.03 -0.04 1.64 1.51 2yr5A1 LEU 451 HG -0.21 -0.02 -0.06 -0.04 1.64 1.31 2yr5A1 LEU 451 HD13 -0.27 -0.01 -0.11 -0.04 0.93 0.50 2yr5A1 LEU 451 HD23 -0.28 0.01 -0.27 -0.04 0.89 0.31 2yr5A1 LEU 452 H 0.08 0.40 -0.09 -0.55 8.37 8.22 2yr5A1 LEU 452 HA 0.05 -0.00 0.33 -0.75 4.35 3.98 2yr5A1 LEU 452 HB2 0.10 0.27 -0.11 -0.04 1.64 1.85 2yr5A1 LEU 452 HB3 -0.08 -0.02 0.10 -0.04 1.64 1.60 2yr5A1 LEU 452 HG -0.07 -0.12 -0.35 -0.04 1.64 1.06 2yr5A1 LEU 452 HD13 0.11 -0.01 -0.09 -0.04 0.93 0.91 2yr5A1 LEU 452 HD23 -0.35 0.03 -0.10 -0.04 0.89 0.43 2yr5A1 LEU 453 H 0.05 0.22 0.19 -0.55 8.37 8.28 2yr5A1 LEU 453 HA -0.03 0.23 0.82 -0.75 4.35 4.62 2yr5A1 LEU 453 HB2 0.05 -0.06 -0.11 -0.04 1.64 1.48 2yr5A1 LEU 453 HB3 0.04 -0.01 0.06 -0.04 1.64 1.68 2yr5A1 LEU 453 HG 0.16 0.04 -0.21 -0.04 1.64 1.58 2yr5A1 LEU 453 HD13 0.13 0.04 -0.01 -0.04 0.93 1.05 2yr5A1 LEU 453 HD23 -0.00 0.03 -0.12 -0.04 0.89 0.75 2yr5A1 SER 454 H 0.03 0.23 -0.03 -0.55 8.46 8.14 2yr5A1 SER 454 HA 0.01 0.17 0.81 -0.75 4.49 4.72 2yr5A1 SER 454 HB2 0.02 0.15 -0.07 -0.04 3.95 4.01 2yr5A1 SER 454 HB3 0.04 0.13 0.08 -0.04 3.93 4.13 2yr5A1 ASP 455 H -0.01 0.22 0.06 -0.55 8.40 8.13 2yr5A1 ASP 455 HA 0.04 0.23 0.79 -0.75 4.63 4.94 2yr5A1 ASP 455 HB2 -0.04 0.04 0.14 -0.04 2.71 2.80 2yr5A1 ASP 455 HB3 -0.07 0.11 0.05 -0.04 2.70 2.75 2yr5A1 SER 456 H 0.04 -0.11 -0.37 -0.55 8.46 7.47 2yr5A1 SER 456 HA 0.05 0.18 0.81 -0.75 4.49 4.78 2yr5A1 SER 456 HB2 0.02 -0.07 0.08 -0.04 3.95 3.94 2yr5A1 SER 456 HB3 0.02 0.01 0.07 -0.04 3.93 3.99 2yr5A1 SER 457 H 0.03 0.04 0.11 -0.55 8.46 8.09 2yr5A1 SER 457 HA 0.03 0.12 0.31 -0.75 4.49 4.19 2yr5A1 SER 457 HB2 0.02 0.10 0.20 -0.04 3.95 4.24 2yr5A1 SER 457 HB3 0.03 -0.01 0.29 -0.04 3.93 4.21 2yr5A1 PRO 458 HA 0.10 0.39 0.52 -0.51 4.44 4.95 2yr5A1 PRO 458 HB2 0.04 -0.02 0.01 -0.04 2.28 2.28 2yr5A1 PRO 458 HB3 0.12 0.07 0.03 -0.04 2.02 2.20 2yr5A1 PRO 458 HG2 0.03 -0.01 0.10 -0.04 2.03 2.11 2yr5A1 PRO 458 HG3 0.06 0.06 0.09 -0.04 2.03 2.20 2yr5A1 PRO 458 HD2 0.03 -0.01 0.23 -0.04 3.68 3.89 2yr5A1 PRO 458 HD3 0.05 0.36 0.32 -0.04 3.65 4.34 2yr5A1 ALA 459 H -0.00 0.10 -0.28 -0.55 8.40 7.67 2yr5A1 ALA 459 HA -0.09 0.06 0.28 -0.75 4.34 3.83 2yr5A1 ALA 459 HB3 -0.03 0.02 0.03 -0.04 1.41 1.39 2yr5A1 ALA 460 H 0.01 0.14 -0.20 -0.55 8.40 7.80 2yr5A1 ALA 460 HA 0.01 0.08 0.52 -0.75 4.34 4.20 2yr5A1 ALA 460 HB3 0.03 0.03 0.06 -0.04 1.41 1.49 2yr5A1 ASN 461 H 0.06 0.42 -0.05 -0.55 8.53 8.41 2yr5A1 ASN 461 HA 0.10 0.10 0.62 -0.75 4.76 4.82 2yr5A1 ASN 461 HB2 0.19 0.19 0.29 -0.04 2.88 3.51 2yr5A1 ASN 461 HB3 0.21 0.00 0.11 -0.04 2.79 3.07 2yr5A1 ASN 461 HD21 0.11 0.28 0.09 -0.04 7.03 7.46 2yr5A1 ASN 461 HD22 0.14 0.51 0.13 -0.04 7.74 8.48 2yr5A1 ALA 462 H -0.07 0.50 -0.05 -0.55 8.40 8.23 2yr5A1 ALA 462 HA -0.40 0.05 0.57 -0.75 4.34 3.81 2yr5A1 ALA 462 HB3 -0.61 -0.01 0.08 -0.04 1.41 0.83 2yr5A1 ARG 463 H -0.04 0.46 -0.18 -0.55 8.46 8.14 2yr5A1 ARG 463 HA -0.04 -0.03 0.35 -0.75 4.34 3.88 2yr5A1 ARG 463 HB2 -0.01 0.11 0.20 -0.04 1.90 2.16 2yr5A1 ARG 463 HB3 0.02 0.12 0.15 -0.04 1.80 2.05 2yr5A1 ARG 463 HG2 0.01 -0.02 0.03 -0.04 1.67 1.65 2yr5A1 ARG 463 HG3 0.03 0.03 -0.06 -0.04 1.67 1.63 2yr5A1 ARG 463 HD2 -0.00 -0.05 0.06 -0.04 3.22 3.18 2yr5A1 ARG 463 HD3 -0.01 -0.03 0.00 -0.04 3.22 3.15 2yr5A1 ILE 464 H 0.03 0.43 -0.14 -0.55 8.25 8.03 2yr5A1 ILE 464 HA 0.02 0.03 0.44 -0.75 4.18 3.92 2yr5A1 ILE 464 HB 0.08 0.04 0.09 -0.04 1.89 2.05 2yr5A1 ILE 464 HG12 -0.15 0.03 -0.05 -0.04 1.49 1.29 2yr5A1 ILE 464 HG13 -0.15 -0.05 -0.17 -0.04 1.21 0.80 2yr5A1 ILE 464 HG23 0.05 0.03 0.11 -0.04 0.93 1.09 2yr5A1 ILE 464 HD13 -0.03 -0.01 -0.05 -0.04 0.88 0.76 2yr5A1 VAL 465 H 0.05 0.42 -0.17 -0.55 8.24 7.99 2yr5A1 VAL 465 HA 0.02 -0.00 0.43 -0.75 4.13 3.82 2yr5A1 VAL 465 HB 0.25 0.06 0.19 -0.04 2.12 2.59 2yr5A1 VAL 465 HG13 0.17 -0.02 -0.13 -0.04 0.97 0.95 2yr5A1 VAL 465 HG23 0.09 0.03 0.05 -0.04 0.95 1.08 2yr5A1 THR 466 H 0.00 0.74 -0.03 -0.55 8.28 8.44 2yr5A1 THR 466 HA 0.03 0.01 0.42 -0.75 4.39 4.10 2yr5A1 THR 466 HB -0.01 -0.07 0.01 -0.04 4.32 4.20 2yr5A1 THR 466 HG23 -0.07 -0.00 0.03 -0.04 1.22 1.14 2yr5A1 ALA 467 H 0.01 0.61 -0.21 -0.55 8.40 8.26 2yr5A1 ALA 467 HA 0.02 -0.03 0.46 -0.75 4.34 4.04 2yr5A1 ALA 467 HB3 0.02 0.02 0.13 -0.04 1.41 1.54 2yr5A1 ILE 468 H 0.01 0.62 -0.09 -0.55 8.25 8.25 2yr5A1 ILE 468 HA 0.06 -0.06 0.44 -0.75 4.18 3.86 2yr5A1 ILE 468 HB 0.01 0.18 0.15 -0.04 1.89 2.19 2yr5A1 ILE 468 HG12 -0.02 -0.12 0.00 -0.04 1.49 1.31 2yr5A1 ILE 468 HG13 -0.04 0.11 0.08 -0.04 1.21 1.32 2yr5A1 ILE 468 HG23 0.14 -0.05 -0.17 -0.04 0.93 0.82 2yr5A1 ILE 468 HD13 -0.23 -0.01 -0.10 -0.04 0.88 0.49 2yr5A1 GLY 469 H 0.05 0.52 -0.27 -0.55 8.43 8.17 2yr5A1 GLY 469 HA2 0.11 -0.02 0.32 -0.51 4.01 3.91 2yr5A1 GLY 469 HA3 0.06 0.03 0.27 -0.51 4.01 3.87 2yr5A1 GLN 470 H 0.03 0.37 -0.46 -0.55 8.47 7.86 2yr5A1 GLN 470 HA 0.05 0.16 0.88 -0.75 4.36 4.69 2yr5A1 GLN 470 HB2 0.02 0.06 0.09 -0.04 2.15 2.28 2yr5A1 GLN 470 HB3 0.03 -0.12 0.16 -0.04 2.02 2.05 2yr5A1 GLN 470 HG2 0.03 0.14 -0.08 -0.04 2.40 2.45 2yr5A1 GLN 470 HG3 0.02 -0.09 -0.01 -0.04 2.39 2.27 2yr5A1 GLN 470 HE21 0.04 -0.05 -0.05 -0.04 6.97 6.87 2yr5A1 GLN 470 HE22 0.04 -0.01 -0.18 -0.04 7.69 7.49 2yr5A1 LEU 471 H -0.11 0.36 -0.17 -0.55 8.37 7.90 2yr5A1 LEU 471 HA -0.09 -0.03 0.59 -0.75 4.35 4.06 2yr5A1 LEU 471 HB2 -1.41 -0.00 0.04 -0.04 1.64 0.22 2yr5A1 LEU 471 HB3 -0.49 -0.13 0.04 -0.04 1.64 1.02 2yr5A1 LEU 471 HG -0.13 0.31 0.09 -0.04 1.64 1.87 2yr5A1 LEU 471 HD13 -0.07 0.00 0.04 -0.04 0.93 0.86 2yr5A1 LEU 471 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.65 2yr5A1 HIS 472 H 0.05 0.05 0.15 -0.55 8.41 8.11 2yr5A1 HIS 472 HA 0.07 0.22 0.64 -0.75 4.63 4.81 2yr5A1 HIS 472 HB2 0.02 0.03 0.11 -0.04 3.26 3.38 2yr5A1 HIS 472 HB3 0.01 0.09 0.30 -0.04 3.20 3.56 2yr5A1 HIS 472 HD2 -0.01 0.03 0.02 -0.04 6.97 6.96 2yr5A1 HIS 472 HE1 0.01 -0.03 -0.01 -0.04 7.75 7.68 2yr5A1 MET 473 H -0.06 0.34 0.12 -0.55 8.47 8.32 2yr5A1 MET 473 HA -0.07 -0.03 0.59 -0.75 4.52 4.26 2yr5A1 MET 473 HB2 -0.15 -0.02 -0.01 -0.04 2.15 1.93 2yr5A1 MET 473 HB3 -0.14 0.24 0.14 -0.04 2.03 2.23 2yr5A1 MET 473 HG2 -0.14 0.29 -0.52 -0.04 2.63 2.23 2yr5A1 MET 473 HG3 -0.15 -0.13 -0.38 -0.04 2.56 1.86 2yr5A1 MET 473 HE3 -0.10 0.02 -0.41 -0.04 2.10 1.56 2yr5A1 ALA 474 H -0.29 0.57 0.26 -0.55 8.40 8.39 2yr5A1 ALA 474 HA -0.23 0.02 0.59 -0.75 4.34 3.96 2yr5A1 ALA 474 HB3 -0.39 0.01 0.10 -0.04 1.41 1.08 2yr5A1 ARG 475 H -0.03 0.08 0.30 -0.55 8.46 8.25 2yr5A1 ARG 475 HA 0.01 0.05 0.68 -0.75 4.34 4.33 2yr5A1 ARG 475 HB2 0.07 -0.11 0.19 -0.04 1.90 2.00 2yr5A1 ARG 475 HB3 0.08 0.01 0.04 -0.04 1.80 1.89 2yr5A1 ARG 475 HG2 0.04 0.04 0.02 -0.04 1.67 1.72 2yr5A1 ARG 475 HG3 -0.01 0.16 -0.00 -0.04 1.67 1.77 2yr5A1 ARG 475 HD2 0.05 0.13 0.06 -0.04 3.22 3.42 2yr5A1 ARG 475 HD3 0.05 -0.11 0.19 -0.04 3.22 3.31 2yr5A1 SER 476 H 0.18 0.16 0.23 -0.55 8.46 8.48 2yr5A1 SER 476 HA 0.23 0.31 0.78 -0.75 4.49 5.05 2yr5A1 SER 476 HB2 0.18 0.00 -0.27 -0.04 3.95 3.82 2yr5A1 SER 476 HB3 0.29 -0.11 -0.02 -0.04 3.93 4.05 2yr5A1 SER 477 H 0.26 0.57 0.38 -0.55 8.46 9.12 2yr5A1 SER 477 HA 0.26 0.16 1.04 -0.75 4.49 5.19 2yr5A1 SER 477 HB2 0.23 0.03 -0.05 -0.04 3.95 4.12 2yr5A1 SER 477 HB3 -0.06 0.11 0.04 -0.04 3.93 3.98 2yr5A1 LYS 478 H 0.11 0.53 0.41 -0.55 8.42 8.92 2yr5A1 LYS 478 HA 0.04 0.38 1.25 -0.75 4.32 5.24 2yr5A1 LYS 478 HB2 0.33 -0.07 0.19 -0.04 1.87 2.28 2yr5A1 LYS 478 HB3 -0.17 0.03 -0.00 -0.04 1.79 1.60 2yr5A1 LYS 478 HG2 -0.23 0.03 0.09 -0.04 1.46 1.31 2yr5A1 LYS 478 HG3 0.13 -0.13 -0.19 -0.04 1.46 1.23 2yr5A1 LYS 478 HD2 0.24 0.08 0.08 -0.04 1.69 2.05 2yr5A1 LYS 478 HD3 -0.10 -0.01 0.01 -0.04 1.68 1.54 2yr5A1 LYS 478 HE2 -1.49 -0.07 -0.03 -0.04 2.99 1.36 2yr5A1 LYS 478 HE3 -0.46 -0.10 -0.07 -0.04 2.99 2.32 2yr5A1 VAL 479 H -0.08 0.71 0.39 -0.55 8.24 8.72 2yr5A1 VAL 479 HA 0.03 0.25 1.14 -0.75 4.13 4.79 2yr5A1 VAL 479 HB -0.02 -0.09 0.23 -0.04 2.12 2.20 2yr5A1 VAL 479 HG13 0.11 0.02 -0.06 -0.04 0.97 1.00 2yr5A1 VAL 479 HG23 -0.05 -0.01 -0.05 -0.04 0.95 0.80 2yr5A1 PHE 480 H 0.26 0.70 0.41 -0.55 8.34 9.15 2yr5A1 PHE 480 HA -0.16 0.28 1.22 -0.75 4.62 5.20 2yr5A1 PHE 480 HB2 -0.70 -0.04 0.00 -0.04 3.15 2.37 2yr5A1 PHE 480 HB3 -1.79 0.05 -0.05 -0.04 3.06 1.22 2yr5A1 PHE 480 HD2 -0.15 0.03 -0.23 -0.04 7.28 6.89 2yr5A1 PHE 480 HE2 0.02 0.04 -0.12 -0.04 7.38 7.28 2yr5A1 PHE 480 HZ -0.02 0.22 -0.07 -0.04 7.32 7.40 2yr5A1 ALA 481 H -0.00 0.55 0.41 -0.55 8.40 8.82 2yr5A1 ALA 481 HA -0.05 0.22 0.56 -0.75 4.34 4.32 2yr5A1 ALA 481 HB3 -0.34 0.02 0.04 -0.04 1.41 1.09 2yr5A1 THR 482 H 0.00 0.30 0.13 -0.55 8.28 8.16 2yr5A1 THR 482 HA 0.14 0.25 1.07 -0.75 4.39 5.10 2yr5A1 THR 482 HB -0.05 0.03 0.11 -0.04 4.32 4.38 2yr5A1 THR 482 HG23 -0.17 -0.01 -0.14 -0.04 1.22 0.86 2yr5A1 VAL 483 H 0.16 0.60 0.31 -0.55 8.24 8.75 2yr5A1 VAL 483 HA 0.11 0.10 0.86 -0.75 4.13 4.45 2yr5A1 VAL 483 HB 0.08 -0.01 -0.26 -0.04 2.12 1.88 2yr5A1 VAL 483 HG13 0.10 0.01 -0.25 -0.04 0.97 0.79 2yr5A1 VAL 483 HG23 0.08 0.08 -0.19 -0.04 0.95 0.88 2yr5A1 LYS 484 H 0.10 0.19 0.15 -0.55 8.42 8.31 2yr5A1 LYS 484 HA -0.12 0.22 0.76 -0.75 4.32 4.43 2yr5A1 LYS 484 HB2 -0.00 -0.01 0.17 -0.04 1.87 1.99 2yr5A1 LYS 484 HB3 -0.09 -0.06 0.09 -0.04 1.79 1.69 2yr5A1 LYS 484 HG2 -0.27 0.07 0.08 -0.04 1.46 1.29 2yr5A1 LYS 484 HG3 0.08 -0.02 0.09 -0.04 1.46 1.57 2yr5A1 LYS 484 HD2 0.01 0.02 0.04 -0.04 1.69 1.73 2yr5A1 LYS 484 HD3 -0.07 -0.01 0.04 -0.04 1.68 1.60 2yr5A1 LYS 484 HE2 -0.07 0.01 0.01 -0.04 2.99 2.90 2yr5A1 LYS 484 HE3 0.11 -0.00 0.01 -0.04 2.99 3.07 2yr5A1 THR 485 H -0.08 0.70 0.29 -0.55 8.28 8.65 2yr5A1 THR 485 HA 0.01 0.06 0.30 -0.75 4.39 4.00 2yr5A1 THR 485 HB -0.05 0.06 0.00 -0.04 4.32 4.29 2yr5A1 THR 485 HG23 -0.01 -0.00 -0.08 -0.04 1.22 1.08 2yr5A1 ALA 486 H -0.07 0.13 -0.21 -0.55 8.40 7.69 2yr5A1 ALA 486 HA -0.07 0.11 0.41 -0.75 4.34 4.04 2yr5A1 ALA 486 HB3 -0.07 0.01 0.03 -0.04 1.41 1.34 2yr5A1 ALA 487 H -0.03 0.51 -0.48 -0.55 8.40 7.86 2yr5A1 ALA 487 HA -0.08 -0.01 0.40 -0.75 4.34 3.89 2yr5A1 ALA 487 HB3 0.04 0.01 0.01 -0.04 1.41 1.43 2yr5A1 LEU 488 H -0.04 0.47 -0.31 -0.55 8.37 7.95 2yr5A1 LEU 488 HA -0.07 0.05 0.50 -0.75 4.35 4.08 2yr5A1 LEU 488 HB2 -0.04 0.10 0.06 -0.04 1.64 1.71 2yr5A1 LEU 488 HB3 -0.04 -0.00 0.08 -0.04 1.64 1.63 2yr5A1 LEU 488 HG 0.03 -0.06 0.00 -0.04 1.64 1.57 2yr5A1 LEU 488 HD13 0.02 0.01 -0.01 -0.04 0.93 0.91 2yr5A1 LEU 488 HD23 0.10 0.01 -0.02 -0.04 0.89 0.94 2yr5A1 ASP 489 H -0.14 0.47 -0.49 -0.55 8.40 7.69 2yr5A1 ASP 489 HA -0.15 0.15 0.59 -0.75 4.63 4.47 2yr5A1 ASP 489 HB2 -0.11 0.08 0.07 -0.04 2.71 2.71 2yr5A1 ASP 489 HB3 -0.11 -0.08 0.11 -0.04 2.70 2.58 2yr5A1 GLN 490 H -0.41 0.39 -0.33 -0.55 8.47 7.58 2yr5A1 GLN 490 HA -0.38 0.02 0.46 -0.75 4.36 3.70 2yr5A1 GLN 490 HB2 -1.45 0.14 0.07 -0.04 2.15 0.87 2yr5A1 GLN 490 HB3 -1.86 -0.17 0.02 -0.04 2.02 -0.04 2yr5A1 GLN 490 HG2 -0.32 0.03 0.10 -0.04 2.40 2.17 2yr5A1 GLN 490 HG3 -0.36 -0.02 0.04 -0.04 2.39 2.01 2yr5A1 GLN 490 HE21 -0.07 -0.05 -0.01 -0.04 6.97 6.81 2yr5A1 GLN 490 HE22 -0.14 0.04 -0.07 -0.04 7.69 7.48 2yr5A1 PRO 491 HA -0.18 0.20 0.25 -0.51 4.44 4.20 2yr5A1 PRO 491 HB2 0.00 -0.00 -0.03 -0.04 2.28 2.21 2yr5A1 PRO 491 HB3 -0.06 0.03 0.10 -0.04 2.02 2.04 2yr5A1 PRO 491 HG2 0.05 -0.01 0.07 -0.04 2.03 2.10 2yr5A1 PRO 491 HG3 -0.02 0.02 0.08 -0.04 2.03 2.06 2yr5A1 PRO 491 HD2 -0.31 0.05 0.21 -0.04 3.68 3.58 2yr5A1 PRO 491 HD3 -0.18 0.17 0.20 -0.04 3.65 3.81 2yr5A1 TRP 492 H -0.76 0.05 -0.32 -0.55 7.97 6.40 2yr5A1 TRP 492 HA -0.06 0.14 0.61 -0.75 4.62 4.56 2yr5A1 TRP 492 HB2 0.12 -0.03 0.10 -0.04 3.23 3.38 2yr5A1 TRP 492 HB3 0.05 -0.03 0.02 -0.04 3.23 3.23 2yr5A1 TRP 492 HD1 0.04 -0.02 -0.02 -0.04 7.22 7.17 2yr5A1 TRP 492 HE1 0.03 -0.01 -0.02 -0.04 10.20 10.16 2yr5A1 TRP 492 HE3 0.30 -0.02 -0.37 -0.04 7.59 7.46 2yr5A1 TRP 492 HZ2 0.02 -0.00 -0.07 -0.04 7.44 7.34 2yr5A1 TRP 492 HZ3 0.25 -0.03 -0.17 -0.04 7.13 7.14 2yr5A1 TRP 492 HH2 0.03 0.07 -0.27 -0.04 7.19 6.98 2yr5A1 VAL 493 H -0.44 0.48 -0.45 -0.55 8.24 7.28 2yr5A1 VAL 493 HA -0.59 0.00 0.65 -0.75 4.13 3.44 2yr5A1 VAL 493 HB -0.35 0.24 0.04 -0.04 2.12 2.01 2yr5A1 VAL 493 HG13 -0.27 0.01 -0.03 -0.04 0.97 0.64 2yr5A1 VAL 493 HG23 -0.32 -0.06 -0.05 -0.04 0.95 0.48 2yr5A1 PRO 494 HA -0.29 0.07 0.42 -0.51 4.44 4.13 2yr5A1 PRO 494 HB2 -0.26 0.02 -0.10 -0.04 2.28 1.90 2yr5A1 PRO 494 HB3 -0.36 -0.01 0.07 -0.04 2.02 1.68 2yr5A1 PRO 494 HG2 -0.76 -0.02 0.04 -0.04 2.03 1.25 2yr5A1 PRO 494 HG3 -0.98 -0.03 0.06 -0.04 2.03 1.04 2yr5A1 PRO 494 HD2 -2.51 0.07 0.20 -0.04 3.68 1.40 2yr5A1 PRO 494 HD3 -1.90 0.26 0.24 -0.04 3.65 2.21 2yr5A1 GLN 495 H -0.13 0.12 0.15 -0.55 8.47 8.07 2yr5A1 GLN 495 HA -0.04 0.32 0.72 -0.75 4.36 4.61 2yr5A1 GLN 495 HB2 -0.07 -0.09 -0.09 -0.04 2.15 1.86 2yr5A1 GLN 495 HB3 -0.02 -0.15 -0.37 -0.04 2.02 1.44 2yr5A1 GLN 495 HG2 -0.09 0.11 -0.47 -0.04 2.40 1.90 2yr5A1 GLN 495 HG3 -0.13 0.10 -0.32 -0.04 2.39 2.01 2yr5A1 GLN 495 HE21 -0.08 -0.05 -0.06 -0.04 6.97 6.73 2yr5A1 GLN 495 HE22 -0.11 0.13 -0.13 -0.04 7.69 7.55 2yr5A1 TRP 496 H 0.20 0.89 0.11 -0.55 7.97 8.62 2yr5A1 TRP 496 HA -0.05 0.08 0.69 -0.75 4.62 4.59 2yr5A1 TRP 496 HB2 -0.08 -0.03 -0.04 -0.04 3.23 3.04 2yr5A1 TRP 496 HB3 -0.07 0.10 0.18 -0.04 3.23 3.40 2yr5A1 TRP 496 HD1 -0.05 -0.06 -0.16 -0.04 7.22 6.90 2yr5A1 TRP 496 HE1 0.00 0.36 -0.01 -0.04 10.20 10.51 2yr5A1 TRP 496 HE3 -0.04 -0.00 -0.11 -0.04 7.59 7.40 2yr5A1 TRP 496 HZ2 0.04 -0.02 0.02 -0.04 7.44 7.44 2yr5A1 TRP 496 HZ3 -0.02 0.02 -0.05 -0.04 7.13 7.04 2yr5A1 TRP 496 HH2 0.01 -0.02 -0.04 -0.04 7.19 7.09 2yr5A1 ARG 497 H -0.34 0.17 0.04 -0.55 8.46 7.78 2yr5A1 ARG 497 HA -0.26 0.01 0.29 -0.75 4.34 3.63 2yr5A1 ARG 497 HB2 -0.46 0.14 -0.08 -0.04 1.90 1.45 2yr5A1 ARG 497 HB3 -0.31 0.00 0.16 -0.04 1.80 1.61 2yr5A1 ARG 497 HG2 -0.61 -0.00 0.04 -0.04 1.67 1.05 2yr5A1 ARG 497 HG3 -1.70 -0.06 -0.12 -0.04 1.67 -0.25 2yr5A1 ARG 497 HD2 -1.18 0.03 -0.05 -0.04 3.22 1.98 2yr5A1 ARG 497 HD3 -0.43 -0.02 -0.00 -0.04 3.22 2.73 2yr5A1 GLY 498 H -0.06 0.02 -0.36 -0.55 8.43 7.48 2yr5A1 GLY 498 HA2 -0.04 -0.02 0.21 -0.51 4.01 3.65 2yr5A1 GLY 498 HA3 -0.03 0.10 0.53 -0.51 4.01 4.10 2yr5A1 GLU 499 H 0.13 0.59 -0.36 -0.55 8.60 8.42 2yr5A1 GLU 499 HA 0.02 0.16 0.61 -0.75 4.29 4.32 2yr5A1 GLU 499 HB2 0.13 -0.03 -0.00 -0.04 2.09 2.15 2yr5A1 GLU 499 HB3 0.23 0.02 0.13 -0.04 1.99 2.33 2yr5A1 GLU 499 HG2 0.01 0.23 -0.16 -0.04 2.34 2.39 2yr5A1 GLU 499 HG3 0.02 -0.02 0.05 -0.04 2.34 2.35 2yr5A1 PRO 500 HA -0.08 0.18 0.47 -0.51 4.44 4.50 2yr5A1 PRO 500 HB2 -0.04 -0.01 -0.09 -0.04 2.28 2.10 2yr5A1 PRO 500 HB3 -0.10 0.20 0.10 -0.04 2.02 2.18 2yr5A1 PRO 500 HG2 -0.05 -0.05 -0.03 -0.04 2.03 1.86 2yr5A1 PRO 500 HG3 -0.08 0.12 -0.02 -0.04 2.03 2.01 2yr5A1 PRO 500 HD2 -0.02 0.05 0.18 -0.04 3.68 3.85 2yr5A1 PRO 500 HD3 -0.03 0.20 0.26 -0.04 3.65 4.04 2yr5A1 ILE 501 H -0.12 0.49 0.20 -0.55 8.25 8.26 2yr5A1 ILE 501 HA -0.06 0.08 0.45 -0.75 4.18 3.90 2yr5A1 ILE 501 HB -0.07 -0.00 0.07 -0.04 1.89 1.84 2yr5A1 ILE 501 HG12 -0.07 0.05 -0.17 -0.04 1.49 1.27 2yr5A1 ILE 501 HG13 -0.13 -0.05 -0.13 -0.04 1.21 0.86 2yr5A1 ILE 501 HG23 0.18 -0.02 -0.11 -0.04 0.93 0.94 2yr5A1 ILE 501 HD13 0.01 -0.04 -0.33 -0.04 0.88 0.47 2yr5A1 LYS 502 H -0.06 0.50 0.33 -0.55 8.42 8.64 2yr5A1 LYS 502 HA 0.07 0.13 0.85 -0.75 4.32 4.61 2yr5A1 LYS 502 HB2 -0.05 -0.01 0.09 -0.04 1.87 1.86 2yr5A1 LYS 502 HB3 0.00 0.01 0.22 -0.04 1.79 1.98 2yr5A1 LYS 502 HG2 0.01 -0.02 -0.03 -0.04 1.46 1.38 2yr5A1 LYS 502 HG3 -0.01 0.17 -0.52 -0.04 1.46 1.06 2yr5A1 LYS 502 HD2 -0.05 -0.04 0.04 -0.04 1.69 1.59 2yr5A1 LYS 502 HD3 -0.03 -0.02 0.05 -0.04 1.68 1.65 2yr5A1 LYS 502 HE2 -0.02 -0.04 -0.01 -0.04 2.99 2.89 2yr5A1 LYS 502 HE3 -0.02 0.16 -0.00 -0.04 2.99 3.09 2yr5A1 ALA 503 H -0.07 0.27 0.28 -0.55 8.40 8.34 2yr5A1 ALA 503 HA -0.22 0.33 0.93 -0.75 4.34 4.62 2yr5A1 ALA 503 HB3 -0.17 0.02 -0.05 -0.04 1.41 1.17 2yr5A1 VAL 504 H -0.35 0.70 0.32 -0.55 8.24 8.36 2yr5A1 VAL 504 HA -0.10 0.29 1.05 -0.75 4.13 4.61 2yr5A1 VAL 504 HB -0.84 -0.01 0.04 -0.04 2.12 1.27 2yr5A1 VAL 504 HG13 -0.33 -0.03 -0.19 -0.04 0.97 0.39 2yr5A1 VAL 504 HG23 -0.62 -0.02 -0.25 -0.04 0.95 0.03 2yr5A1 VAL 505 H 0.06 0.66 0.41 -0.55 8.24 8.82 2yr5A1 VAL 505 HA -0.02 0.29 1.08 -0.75 4.13 4.72 2yr5A1 VAL 505 HB 0.25 -0.07 0.24 -0.04 2.12 2.50 2yr5A1 VAL 505 HG13 0.15 0.01 0.15 -0.04 0.97 1.24 2yr5A1 VAL 505 HG23 -0.06 -0.01 0.00 -0.04 0.95 0.85 2yr5A1 SER 506 H 0.02 0.59 0.32 -0.55 8.46 8.85 2yr5A1 SER 506 HA -0.11 0.35 1.10 -0.75 4.49 5.08 2yr5A1 SER 506 HB2 -0.10 -0.03 0.07 -0.04 3.95 3.86 2yr5A1 SER 506 HB3 0.18 0.10 -0.35 -0.04 3.93 3.83 2yr5A1 ASP 507 H -0.16 0.42 0.27 -0.55 8.40 8.38 2yr5A1 ASP 507 HA -0.01 0.18 1.02 -0.75 4.63 5.06 2yr5A1 ASP 507 HB2 -0.05 0.01 0.27 -0.04 2.71 2.90 2yr5A1 ASP 507 HB3 0.04 0.04 0.21 -0.04 2.70 2.96 2yr5A1 SER 508 H -0.04 0.08 -0.40 -0.55 8.46 7.55 2yr5A1 SER 508 HA -0.09 0.16 0.33 -0.75 4.49 4.14 2yr5A1 SER 508 HB2 0.12 0.28 -0.06 -0.04 3.95 4.25 2yr5A1 SER 508 HB3 -0.04 -0.01 0.00 -0.04 3.93 3.84 2yr5A1 GLY 509 H -0.00 0.03 -0.51 -0.55 8.43 7.40 2yr5A1 GLY 509 HA2 0.01 0.00 0.27 -0.51 4.01 3.78 2yr5A1 GLY 509 HA3 0.01 0.25 0.73 -0.51 4.01 4.50 2yr5A1 LEU 510 H 0.06 0.03 -0.28 -0.55 8.37 7.63 2yr5A1 LEU 510 HA 0.03 0.15 0.48 -0.75 4.35 4.26 2yr5A1 LEU 510 HB2 0.11 -0.10 -0.10 -0.04 1.64 1.52 2yr5A1 LEU 510 HB3 0.07 0.28 0.07 -0.04 1.64 2.01 2yr5A1 LEU 510 HG 0.11 -0.06 -0.21 -0.04 1.64 1.44 2yr5A1 LEU 510 HD13 0.15 0.05 -0.11 -0.04 0.93 0.98 2yr5A1 LEU 510 HD23 0.01 0.02 -0.15 -0.04 0.89 0.73 2yr5A1 ALA 511 H 0.01 -0.04 -0.11 -0.55 8.40 7.71 2yr5A1 ALA 511 HA -0.02 0.13 0.52 -0.75 4.34 4.22 2yr5A1 ALA 511 HB3 -0.11 0.04 0.02 -0.04 1.41 1.32 2yr5A1 ALA 512 H -0.06 0.61 0.40 -0.55 8.40 8.80 2yr5A1 ALA 512 HA -0.14 0.17 0.99 -0.75 4.34 4.62 2yr5A1 ALA 512 HB3 -0.07 0.01 0.12 -0.04 1.41 1.43 2yr5A1 SER 513 H -0.36 0.49 0.37 -0.55 8.46 8.42 2yr5A1 SER 513 HA 0.03 0.33 0.88 -0.75 4.49 4.98 2yr5A1 SER 513 HB2 -0.25 -0.15 0.04 -0.04 3.95 3.55 2yr5A1 SER 513 HB3 0.20 0.04 0.06 -0.04 3.93 4.18 2yr5A1 TYR 514 H 0.19 0.63 0.33 -0.55 8.29 8.88 2yr5A1 TYR 514 HA 0.04 0.29 1.05 -0.75 4.56 5.18 2yr5A1 TYR 514 HB2 0.08 -0.11 0.06 -0.04 3.06 3.05 2yr5A1 TYR 514 HB3 0.05 0.09 -0.01 -0.04 2.98 3.08 2yr5A1 TYR 514 HD2 0.08 0.14 -0.07 -0.04 7.15 7.26 2yr5A1 TYR 514 HE2 0.17 -0.02 -0.08 -0.04 6.85 6.87 2yr5A1 VAL 515 H 0.12 0.65 0.22 -0.55 8.24 8.68 2yr5A1 VAL 515 HA 0.14 0.11 0.89 -0.75 4.13 4.51 2yr5A1 VAL 515 HB 0.10 0.06 0.20 -0.04 2.12 2.43 2yr5A1 VAL 515 HG13 0.10 -0.02 -0.16 -0.04 0.97 0.85 2yr5A1 VAL 515 HG23 0.18 -0.01 -0.23 -0.04 0.95 0.85 2yr5A1 VAL 516 H 0.14 0.67 0.24 -0.55 8.24 8.73 2yr5A1 VAL 516 HA 0.00 0.18 0.63 -0.75 4.13 4.19 2yr5A1 VAL 516 HB 0.13 -0.07 0.22 -0.04 2.12 2.36 2yr5A1 VAL 516 HG13 -0.01 0.05 -0.00 -0.04 0.97 0.96 2yr5A1 VAL 516 HG23 0.09 -0.00 -0.07 -0.04 0.95 0.92 2yr5A1 PRO 517 HA 0.04 0.03 0.53 -0.51 4.44 4.53 2yr5A1 PRO 517 HB2 0.00 0.06 -0.00 -0.04 2.28 2.30 2yr5A1 PRO 517 HB3 0.01 0.04 0.13 -0.04 2.02 2.16 2yr5A1 PRO 517 HG2 -0.02 0.02 0.11 -0.04 2.03 2.09 2yr5A1 PRO 517 HG3 -0.01 0.06 0.13 -0.04 2.03 2.16 2yr5A1 PRO 517 HD2 -0.04 0.05 0.25 -0.04 3.68 3.90 2yr5A1 PRO 517 HD3 -0.02 0.26 0.34 -0.04 3.65 4.20 2yr5A1 SER 518 H 0.06 0.57 0.45 -0.55 8.46 8.99 2yr5A1 SER 518 HA 0.04 -0.03 0.59 -0.75 4.49 4.34 2yr5A1 SER 518 HB2 0.09 -0.03 0.13 -0.04 3.95 4.10 2yr5A1 SER 518 HB3 0.06 -0.00 0.20 -0.04 3.93 4.15 2yr5A1 PRO 519 HA 0.01 0.17 0.51 -0.51 4.44 4.62 2yr5A1 PRO 519 HB2 0.01 0.01 0.20 -0.04 2.28 2.46 2yr5A1 PRO 519 HB3 0.03 0.05 0.14 -0.04 2.02 2.19 2yr5A1 PRO 519 HG2 -0.00 -0.05 -0.00 -0.04 2.03 1.94 2yr5A1 PRO 519 HG3 0.02 0.06 0.13 -0.04 2.03 2.20 2yr5A1 PRO 519 HD2 0.00 -0.15 0.28 -0.04 3.68 3.78 2yr5A1 PRO 519 HD3 0.03 0.24 0.30 -0.04 3.65 4.18 2yr5A1 ILE 520 H 0.01 0.08 -0.41 -0.55 8.25 7.38 2yr5A1 ILE 520 HA 0.00 0.08 0.62 -0.75 4.18 4.13 2yr5A1 ILE 520 HB 0.01 0.09 -0.00 -0.04 1.89 1.95 2yr5A1 ILE 520 HG12 -0.02 0.00 -0.15 -0.04 1.49 1.29 2yr5A1 ILE 520 HG13 -0.02 -0.07 -0.18 -0.04 1.21 0.90 2yr5A1 ILE 520 HG23 0.00 -0.01 -0.09 -0.04 0.93 0.80 2yr5A1 ILE 520 HD13 -0.04 -0.02 -0.39 -0.04 0.88 0.39 2yr5A1 VAL 521 H 0.00 0.46 -0.12 -0.55 8.24 8.03 2yr5A1 VAL 521 HA 0.01 0.07 0.21 -0.75 4.13 3.67 2yr5A1 VAL 521 HB 0.01 0.16 -0.21 -0.04 2.12 2.05 2yr5A1 VAL 521 HG13 0.00 -0.01 -0.29 -0.04 0.97 0.63 2yr5A1 VAL 521 HG23 -0.00 -0.01 0.33 -0.04 0.95 1.23 2yr5A1 ALA 526 HA -0.01 0.01 0.24 -0.75 4.34 3.83 2yr5A1 ALA 526 HB3 -0.02 -0.02 0.03 -0.04 1.41 1.36 2yr5A1 PRO 527 HA -0.01 0.03 0.62 -0.51 4.44 4.57 2yr5A1 PRO 527 HB2 0.04 0.01 0.10 -0.04 2.28 2.38 2yr5A1 PRO 527 HB3 0.02 0.13 0.02 -0.04 2.02 2.15 2yr5A1 PRO 527 HG2 0.01 -0.04 0.13 -0.04 2.03 2.10 2yr5A1 PRO 527 HG3 0.02 0.27 0.06 -0.04 2.03 2.33 2yr5A1 PRO 527 HD2 -0.01 0.05 0.16 -0.04 3.68 3.85 2yr5A1 PRO 527 HD3 -0.00 0.14 0.00 -0.04 3.65 3.75 2yr5A1 GLU 528 H -0.04 0.15 0.26 -0.55 8.60 8.43 2yr5A1 GLU 528 HA -0.17 0.05 0.40 -0.75 4.29 3.81 2yr5A1 GLU 528 HB2 -0.14 0.04 0.18 -0.04 2.09 2.12 2yr5A1 GLU 528 HB3 -0.21 0.03 0.16 -0.04 1.99 1.93 2yr5A1 GLU 528 HG2 -1.09 -0.04 -0.13 -0.04 2.34 1.04 2yr5A1 GLU 528 HG3 -0.33 -0.03 0.10 -0.04 2.34 2.04 2yr5A1 TYR 529 H 0.06 0.16 -0.03 -0.55 8.29 7.93 2yr5A1 TYR 529 HA 0.01 0.13 1.09 -0.75 4.56 5.03 2yr5A1 TYR 529 HB2 -0.00 0.18 0.02 -0.04 3.06 3.21 2yr5A1 TYR 529 HB3 0.01 0.03 -0.04 -0.04 2.98 2.95 2yr5A1 TYR 529 HD2 -0.00 0.07 -0.17 -0.04 7.15 7.01 2yr5A1 TYR 529 HE2 -0.01 -0.00 -0.07 -0.04 6.85 6.73 2yr5A1 SER 530 H 0.20 0.69 0.35 -0.55 8.46 9.14 2yr5A1 SER 530 HA 0.10 0.11 0.84 -0.75 4.49 4.79 2yr5A1 SER 530 HB2 0.10 -0.03 -0.18 -0.04 3.95 3.80 2yr5A1 SER 530 HB3 0.10 0.06 -0.35 -0.04 3.93 3.70 2yr5A1 SER 531 H 0.14 0.72 0.24 -0.55 8.46 9.01 2yr5A1 SER 531 HA 0.28 0.12 0.87 -0.75 4.49 5.01 2yr5A1 SER 531 HB2 0.24 0.01 0.25 -0.04 3.95 4.41 2yr5A1 SER 531 HB3 0.41 -0.06 0.04 -0.04 3.93 4.28 2yr5A1 LEU 532 H 0.17 0.69 0.28 -0.55 8.37 8.97 2yr5A1 LEU 532 HA 0.14 0.22 0.84 -0.75 4.35 4.79 2yr5A1 LEU 532 HB2 0.10 -0.01 -0.08 -0.04 1.64 1.61 2yr5A1 LEU 532 HB3 0.09 -0.12 0.12 -0.04 1.64 1.69 2yr5A1 LEU 532 HG 0.11 0.02 -0.13 -0.04 1.64 1.60 2yr5A1 LEU 532 HD13 0.04 -0.01 -0.17 -0.04 0.93 0.75 2yr5A1 LEU 532 HD23 0.10 0.02 -0.29 -0.04 0.89 0.68 2yr5A1 LEU 533 H 0.13 0.59 0.19 -0.55 8.37 8.74 2yr5A1 LEU 533 HA -0.59 0.13 0.83 -0.75 4.35 3.97 2yr5A1 LEU 533 HB2 -0.17 -0.02 0.11 -0.04 1.64 1.52 2yr5A1 LEU 533 HB3 0.14 0.00 0.29 -0.04 1.64 2.03 2yr5A1 LEU 533 HG 0.04 -0.02 -0.04 -0.04 1.64 1.58 2yr5A1 LEU 533 HD13 -0.92 0.04 -0.04 -0.04 0.93 -0.03 2yr5A1 LEU 533 HD23 -0.17 -0.00 -0.01 -0.04 0.89 0.67 2yr5A1 ALA 534 H -0.06 0.44 0.17 -0.55 8.40 8.41 2yr5A1 ALA 534 HA 0.08 0.01 0.37 -0.75 4.34 4.05 2yr5A1 ALA 534 HB3 0.04 -0.01 -0.03 -0.04 1.41 1.37 2yr5A1 SER 535 H -0.07 0.30 0.04 -0.55 8.46 8.18 2yr5A1 SER 535 HA 0.02 0.33 0.70 -0.75 4.49 4.79 2yr5A1 SER 535 HB2 0.02 0.04 -0.09 -0.04 3.95 3.87 2yr5A1 SER 535 HB3 0.01 -0.16 0.07 -0.04 3.93 3.82 2yr5A1 TYR 536 H 0.06 0.62 0.37 -0.55 8.29 8.79 2yr5A1 TYR 536 HA -0.10 0.21 1.08 -0.75 4.56 4.99 2yr5A1 TYR 536 HB2 -0.06 -0.01 0.06 -0.04 3.06 3.01 2yr5A1 TYR 536 HB3 -0.04 0.02 0.21 -0.04 2.98 3.13 2yr5A1 TYR 536 HD2 -0.06 0.11 0.07 -0.04 7.15 7.22 2yr5A1 TYR 536 HE2 0.20 -0.06 -0.06 -0.04 6.85 6.90 2yr5A1 THR 537 H 0.06 0.53 0.32 -0.55 8.28 8.64 2yr5A1 THR 537 HA -0.45 0.20 0.97 -0.75 4.39 4.36 2yr5A1 THR 537 HB -0.02 -0.17 -0.37 -0.04 4.32 3.72 2yr5A1 THR 537 HG23 -0.03 0.06 -0.30 -0.04 1.22 0.91 2yr5A1 TRP 538 H -0.13 0.21 0.18 -0.55 7.97 7.69 2yr5A1 TRP 538 HA -0.05 0.36 1.03 -0.75 4.62 5.21 2yr5A1 TRP 538 HB2 -0.09 -0.05 0.03 -0.04 3.23 3.08 2yr5A1 TRP 538 HB3 -0.10 -0.02 0.02 -0.04 3.23 3.09 2yr5A1 TRP 538 HD1 -0.07 0.03 -0.00 -0.04 7.22 7.13 2yr5A1 TRP 538 HE1 0.13 0.01 -0.10 -0.04 10.20 10.20 2yr5A1 TRP 538 HE3 -0.10 -0.09 -0.02 -0.04 7.59 7.34 2yr5A1 TRP 538 HZ2 -0.02 0.01 -0.06 -0.04 7.44 7.33 2yr5A1 TRP 538 HZ3 0.20 0.18 -0.21 -0.04 7.13 7.26 2yr5A1 TRP 538 HH2 0.24 0.17 -0.07 -0.04 7.19 7.48 2yr5A1 GLU 539 H 0.15 0.60 0.25 -0.55 8.60 9.06 2yr5A1 GLU 539 HA 0.10 0.00 0.43 -0.75 4.29 4.07 2yr5A1 GLU 539 HB2 0.12 0.08 -0.10 -0.04 2.09 2.15 2yr5A1 GLU 539 HB3 0.09 0.02 0.24 -0.04 1.99 2.30 2yr5A1 GLU 539 HG2 0.08 -0.04 -0.01 -0.04 2.34 2.33 2yr5A1 GLU 539 HG3 0.05 0.16 -0.01 -0.04 2.34 2.50 2yr5A1 ASP 540 H 0.08 0.23 0.27 -0.55 8.40 8.43 2yr5A1 ASP 540 HA 0.05 0.03 0.39 -0.75 4.63 4.34 2yr5A1 ASP 540 HB2 0.05 0.02 0.13 -0.04 2.71 2.87 2yr5A1 ASP 540 HB3 0.04 0.04 0.05 -0.04 2.70 2.79 2yr5A1 ASP 541 H 0.07 0.30 -0.06 -0.55 8.40 8.15 2yr5A1 ASP 541 HA 0.02 0.08 0.48 -0.75 4.63 4.46 2yr5A1 ASP 541 HB2 0.02 0.04 0.13 -0.04 2.71 2.85 2yr5A1 ASP 541 HB3 -0.01 0.10 -0.05 -0.04 2.70 2.70 2yr5A1 SER 542 H 0.07 0.28 -0.69 -0.55 8.46 7.57 2yr5A1 SER 542 HA 0.10 0.12 0.42 -0.75 4.49 4.38 2yr5A1 SER 542 HB2 0.12 0.02 -0.41 -0.04 3.95 3.63 2yr5A1 SER 542 HB3 0.11 0.11 -0.28 -0.04 3.93 3.82 2yr5A1 THR 543 H 0.05 0.42 -0.09 -0.55 8.28 8.11 2yr5A1 THR 543 HA -0.00 -0.01 0.29 -0.75 4.39 3.92 2yr5A1 THR 543 HB 0.03 0.09 0.11 -0.04 4.32 4.50 2yr5A1 THR 543 HG23 0.01 0.00 -0.07 -0.04 1.22 1.12 2yr5A1 ARG 544 H 0.02 0.50 -0.34 -0.55 8.46 8.08 2yr5A1 ARG 544 HA 0.04 0.00 0.32 -0.75 4.34 3.96 2yr5A1 ARG 544 HB2 0.02 0.15 0.08 -0.04 1.90 2.10 2yr5A1 ARG 544 HB3 0.03 -0.01 0.02 -0.04 1.80 1.80 2yr5A1 ARG 544 HG2 0.02 -0.05 0.02 -0.04 1.67 1.61 2yr5A1 ARG 544 HG3 0.02 0.08 0.07 -0.04 1.67 1.80 2yr5A1 ARG 544 HD2 0.02 0.04 0.00 -0.04 3.22 3.24 2yr5A1 ARG 544 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 2yr5A1 LEU 545 H -0.06 0.31 -0.42 -0.55 8.37 7.66 2yr5A1 LEU 545 HA -0.20 0.12 0.61 -0.75 4.35 4.13 2yr5A1 LEU 545 HB2 -0.04 0.05 -0.01 -0.04 1.64 1.60 2yr5A1 LEU 545 HB3 -0.00 -0.07 -0.04 -0.04 1.64 1.48 2yr5A1 LEU 545 HG 0.02 0.22 0.05 -0.04 1.64 1.89 2yr5A1 LEU 545 HD13 0.13 -0.01 -0.07 -0.04 0.93 0.93 2yr5A1 LEU 545 HD23 -0.00 0.01 -0.12 -0.04 0.89 0.73 2yr5A1 ARG 546 H -0.25 0.45 -0.28 -0.55 8.46 7.82 2yr5A1 ARG 546 HA -1.70 -0.00 0.03 -0.75 4.34 1.92 2yr5A1 ARG 546 HB2 -0.18 0.07 0.03 -0.04 1.90 1.79 2yr5A1 ARG 546 HB3 -0.13 0.06 0.03 -0.04 1.80 1.71 2yr5A1 ARG 546 HG2 -0.02 0.01 -0.17 -0.04 1.67 1.45 2yr5A1 ARG 546 HG3 0.01 -0.05 -0.04 -0.04 1.67 1.54 2yr5A1 ARG 546 HD2 -0.06 0.04 -0.11 -0.04 3.22 3.06 2yr5A1 ARG 546 HD3 0.06 -0.08 -0.11 -0.04 3.22 3.05 2yr5A1 HIS 547 H -0.07 0.22 -0.27 -0.55 8.41 7.75 2yr5A1 HIS 547 HA -0.02 0.02 0.43 -0.75 4.63 4.31 2yr5A1 HIS 547 HB2 -0.03 -0.02 0.04 -0.04 3.26 3.22 2yr5A1 HIS 547 HB3 -0.06 -0.02 0.05 -0.04 3.20 3.13 2yr5A1 HIS 547 HD2 -0.08 0.07 -0.08 -0.04 6.97 6.83 2yr5A1 HIS 547 HE1 -0.02 -0.02 -0.06 -0.04 7.75 7.61 2yr5A1 ASP 548 H -0.62 0.60 -0.40 -0.55 8.40 7.44 2yr5A1 ASP 548 HA -0.08 0.11 0.70 -0.75 4.63 4.61 2yr5A1 ASP 548 HB2 -0.31 0.20 0.07 -0.04 2.71 2.62 2yr5A1 ASP 548 HB3 -0.07 -0.03 0.10 -0.04 2.70 2.66 2yr5A1 PHE 549 H -0.11 0.50 -0.25 -0.55 8.34 7.93 2yr5A1 PHE 549 HA -0.18 0.06 0.30 -0.75 4.62 4.04 2yr5A1 PHE 549 HB2 -0.51 0.05 -0.06 -0.04 3.15 2.59 2yr5A1 PHE 549 HB3 -0.44 0.02 -0.05 -0.04 3.06 2.55 2yr5A1 PHE 549 HD2 -0.07 -0.01 -0.20 -0.04 7.28 6.96 2yr5A1 PHE 549 HE2 -0.03 -0.04 -0.15 -0.04 7.38 7.11 2yr5A1 PHE 549 HZ -0.01 -0.02 -0.16 -0.04 7.32 7.08 2yr5A1 GLY 550 H -0.04 0.18 -0.30 -0.55 8.43 7.72 2yr5A1 GLY 550 HA2 0.00 0.02 0.26 -0.51 4.01 3.78 2yr5A1 GLY 550 HA3 -0.08 0.05 0.25 -0.51 4.01 3.72 2yr5A1 LEU 551 H -0.33 0.57 -0.03 -0.55 8.37 8.03 2yr5A1 LEU 551 HA -0.06 0.14 0.74 -0.75 4.35 4.41 2yr5A1 LEU 551 HB2 -0.17 0.02 -0.02 -0.04 1.64 1.43 2yr5A1 LEU 551 HB3 -0.09 0.03 0.02 -0.04 1.64 1.56 2yr5A1 LEU 551 HG -0.07 -0.05 -0.16 -0.04 1.64 1.31 2yr5A1 LEU 551 HD13 -0.05 -0.03 0.06 -0.04 0.93 0.87 2yr5A1 LEU 551 HD23 -0.01 0.07 -0.01 -0.04 0.89 0.89 2yr5A1 TYR 552 H 0.05 0.28 0.07 -0.55 8.29 8.14 2yr5A1 TYR 552 HA -0.16 0.14 0.66 -0.75 4.56 4.45 2yr5A1 TYR 552 HB2 -0.05 0.03 -0.01 -0.04 3.06 2.99 2yr5A1 TYR 552 HB3 -0.08 0.01 -0.08 -0.04 2.98 2.79 2yr5A1 TYR 552 HD2 0.01 -0.02 -0.18 -0.04 7.15 6.92 2yr5A1 TYR 552 HE2 0.00 0.09 -0.18 -0.04 6.85 6.73 2yr5A1 PRO 553 HA -0.23 0.02 0.34 -0.51 4.44 4.06 2yr5A1 PRO 553 HB2 -1.27 -0.03 -0.06 -0.04 2.28 0.88 2yr5A1 PRO 553 HB3 -0.33 0.02 -0.41 -0.04 2.02 1.25 2yr5A1 PRO 553 HG2 -0.17 0.03 -0.01 -0.04 2.03 1.83 2yr5A1 PRO 553 HG3 -0.09 -0.03 0.04 -0.04 2.03 1.90 2yr5A1 PRO 553 HD2 -0.05 0.10 0.37 -0.04 3.68 4.06 2yr5A1 PRO 553 HD3 -0.05 0.21 0.14 -0.04 3.65 3.91 2yr5A1 GLN 554 H -0.21 0.21 -0.17 -0.55 8.47 7.75 2yr5A1 GLN 554 HA -0.46 0.37 1.15 -0.75 4.36 4.67 2yr5A1 GLN 554 HB2 0.11 -0.13 -0.10 -0.04 2.15 1.99 2yr5A1 GLN 554 HB3 -0.05 -0.02 -0.02 -0.04 2.02 1.89 2yr5A1 GLN 554 HG2 -0.23 0.19 -0.35 -0.04 2.40 1.98 2yr5A1 GLN 554 HG3 -0.43 0.04 -0.05 -0.04 2.39 1.90 2yr5A1 GLN 554 HE21 0.16 -0.13 -0.18 -0.04 6.97 6.77 2yr5A1 GLN 554 HE22 0.08 0.50 -0.11 -0.04 7.69 8.11 2yr5A1 ASN 555 H -0.45 0.60 0.25 -0.55 8.53 8.39 2yr5A1 ASN 555 HA -0.15 -0.10 0.56 -0.75 4.76 4.31 2yr5A1 ASN 555 HB2 -0.26 0.10 0.07 -0.04 2.88 2.76 2yr5A1 ASN 555 HB3 -0.24 -0.00 0.24 -0.04 2.79 2.75 2yr5A1 ASN 555 HD21 -0.06 -0.15 0.04 -0.04 7.03 6.81 2yr5A1 ASN 555 HD22 -0.12 0.65 0.25 -0.04 7.74 8.47 2yr5A1 PRO 556 HA -0.06 -0.01 0.29 -0.51 4.44 4.15 2yr5A1 PRO 556 HB2 -0.00 -0.15 -0.07 -0.04 2.28 2.02 2yr5A1 PRO 556 HB3 -0.01 -0.12 -0.32 -0.04 2.02 1.54 2yr5A1 PRO 556 HG2 0.08 0.11 -0.05 -0.04 2.03 2.13 2yr5A1 PRO 556 HG3 0.06 0.30 -0.10 -0.04 2.03 2.25 2yr5A1 PRO 556 HD2 0.15 0.10 0.21 -0.04 3.68 4.10 2yr5A1 PRO 556 HD3 0.06 0.25 0.38 -0.04 3.65 4.30 2yr5A1 ALA 557 H -0.04 0.06 0.13 -0.55 8.40 8.00 2yr5A1 ALA 557 HA -0.03 0.19 0.60 -0.75 4.34 4.35 2yr5A1 ALA 557 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 2yr5A1 THR 558 H -0.00 -0.04 -0.12 -0.55 8.28 7.57 2yr5A1 THR 558 HA 0.01 0.25 0.84 -0.75 4.39 4.74 2yr5A1 THR 558 HB 0.00 -0.03 0.14 -0.04 4.32 4.39 2yr5A1 THR 558 HG23 -0.00 0.02 -0.06 -0.04 1.22 1.15 2yr5A1 GLU 559 H 0.01 0.14 0.16 -0.55 8.60 8.37 2yr5A1 GLU 559 HA 0.02 0.40 0.57 -0.75 4.29 4.53 2yr5A1 GLU 559 HB2 0.02 -0.05 0.14 -0.04 2.09 2.17 2yr5A1 GLU 559 HB3 0.03 0.01 0.06 -0.04 1.99 2.05 2yr5A1 GLU 559 HG2 0.04 0.14 0.14 -0.04 2.34 2.62 2yr5A1 GLU 559 HG3 0.03 -0.06 0.11 -0.04 2.34 2.38 2yr5A1 THR 560 H -0.00 -0.07 -0.17 -0.55 8.28 7.49 2yr5A1 THR 560 HA -0.05 0.28 0.46 -0.75 4.39 4.33 2yr5A1 THR 560 HB -0.02 0.05 0.06 -0.04 4.32 4.37 2yr5A1 THR 560 HG23 -0.01 -0.00 -0.04 -0.04 1.22 1.12 2yr5A1 GLY 561 H -0.01 -0.03 -0.22 -0.55 8.43 7.63 2yr5A1 GLY 561 HA2 -0.01 0.13 0.58 -0.51 4.01 4.20 2yr5A1 GLY 561 HA3 -0.01 -0.08 0.32 -0.51 4.01 3.72 2yr5A1 THR 562 H -0.01 0.19 0.26 -0.55 8.28 8.17 2yr5A1 THR 562 HA 0.01 0.31 0.80 -0.75 4.39 4.76 2yr5A1 THR 562 HB -0.02 -0.02 0.03 -0.04 4.32 4.27 2yr5A1 THR 562 HG23 -0.02 -0.04 0.02 -0.04 1.22 1.15 2yr5A1 ALA 563 H 0.01 0.86 0.06 -0.55 8.40 8.79 2yr5A1 ALA 563 HA -0.02 0.03 0.57 -0.75 4.34 4.17 2yr5A1 ALA 563 HB3 -0.03 0.01 -0.22 -0.04 1.41 1.13 2yr5A1 ASP 564 H 0.00 0.40 -0.24 -0.55 8.40 8.01 2yr5A1 ASP 564 HA 0.04 0.16 0.29 -0.75 4.63 4.37 2yr5A1 ASP 564 HB2 -0.00 0.06 0.06 -0.04 2.71 2.79 2yr5A1 ASP 564 HB3 0.01 -0.06 0.11 -0.04 2.70 2.72 2yr5A1 GLY 565 H 0.02 0.11 -0.02 -0.55 8.43 7.99 2yr5A1 GLY 565 HA2 0.02 0.08 0.38 -0.51 4.01 3.98 2yr5A1 GLY 565 HA3 0.01 0.05 0.27 -0.51 4.01 3.84 2yr5A1 MET 566 H 0.02 0.03 -0.29 -0.55 8.47 7.68 2yr5A1 MET 566 HA 0.02 0.18 0.44 -0.75 4.52 4.41 2yr5A1 MET 566 HB2 -0.00 0.05 0.06 -0.04 2.15 2.21 2yr5A1 MET 566 HB3 0.01 0.02 0.05 -0.04 2.03 2.06 2yr5A1 MET 566 HG2 0.12 0.07 -0.13 -0.04 2.63 2.65 2yr5A1 MET 566 HG3 -0.03 -0.00 -0.00 -0.04 2.56 2.49 2yr5A1 MET 566 HE3 0.04 0.07 -0.17 -0.04 2.10 1.99 2yr5A1 TYR 567 H 0.15 0.50 -0.19 -0.55 8.29 8.20 2yr5A1 TYR 567 HA -0.01 0.02 0.33 -0.75 4.56 4.14 2yr5A1 TYR 567 HB2 -0.01 0.01 0.09 -0.04 3.06 3.11 2yr5A1 TYR 567 HB3 -0.02 0.07 0.13 -0.04 2.98 3.12 2yr5A1 TYR 567 HD2 -0.03 -0.00 -0.12 -0.04 7.15 6.96 2yr5A1 TYR 567 HE2 -0.06 0.07 -0.13 -0.04 6.85 6.69 2yr5A1 ARG 568 H 0.09 0.56 -0.18 -0.55 8.46 8.37 2yr5A1 ARG 568 HA -0.02 0.01 0.39 -0.75 4.34 3.96 2yr5A1 ARG 568 HB2 0.02 0.12 0.14 -0.04 1.90 2.15 2yr5A1 ARG 568 HB3 0.01 -0.06 0.02 -0.04 1.80 1.72 2yr5A1 ARG 568 HG2 0.04 -0.01 0.01 -0.04 1.67 1.67 2yr5A1 ARG 568 HG3 0.08 0.17 0.05 -0.04 1.67 1.92 2yr5A1 ARG 568 HD2 0.02 -0.05 -0.06 -0.04 3.22 3.09 2yr5A1 ARG 568 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.14 2yr5A1 THR 569 H -0.01 0.47 -0.31 -0.55 8.28 7.89 2yr5A1 THR 569 HA -0.01 0.01 0.48 -0.75 4.39 4.11 2yr5A1 THR 569 HB -0.02 -0.07 0.10 -0.04 4.32 4.29 2yr5A1 THR 569 HG23 -0.00 0.05 0.06 -0.04 1.22 1.29 2yr5A1 MET 570 H -0.13 0.41 -0.32 -0.55 8.47 7.88 2yr5A1 MET 570 HA -0.06 0.05 0.53 -0.75 4.52 4.29 2yr5A1 MET 570 HB2 -0.44 0.15 0.12 -0.04 2.15 1.93 2yr5A1 MET 570 HB3 -0.17 -0.03 -0.04 -0.04 2.03 1.75 2yr5A1 MET 570 HG2 -0.06 0.20 -0.00 -0.04 2.63 2.73 2yr5A1 MET 570 HG3 -0.06 -0.05 -0.06 -0.04 2.56 2.35 2yr5A1 MET 570 HE3 0.12 0.01 -0.13 -0.04 2.10 2.07 2yr5A1 VAL 571 H -0.32 0.58 0.05 -0.55 8.24 8.00 2yr5A1 VAL 571 HA -0.16 0.01 0.43 -0.75 4.13 3.66 2yr5A1 VAL 571 HB -0.09 0.09 0.12 -0.04 2.12 2.19 2yr5A1 VAL 571 HG13 -0.11 -0.00 -0.10 -0.04 0.97 0.72 2yr5A1 VAL 571 HG23 -0.32 0.04 -0.12 -0.04 0.95 0.50 2yr5A1 ASN 572 H -0.01 0.53 -0.36 -0.55 8.53 8.15 2yr5A1 ASN 572 HA 0.10 -0.01 0.38 -0.75 4.76 4.48 2yr5A1 ASN 572 HB2 0.01 0.09 0.10 -0.04 2.88 3.04 2yr5A1 ASN 572 HB3 0.02 0.11 0.07 -0.04 2.79 2.95 2yr5A1 ASN 572 HD21 0.02 -0.06 -0.02 -0.04 7.03 6.93 2yr5A1 ASN 572 HD22 0.02 0.04 -0.05 -0.04 7.74 7.71 2yr5A1 ARG 573 H 0.02 0.35 -0.31 -0.55 8.46 7.97 2yr5A1 ARG 573 HA 0.05 0.03 0.56 -0.75 4.34 4.22 2yr5A1 ARG 573 HB2 0.03 0.11 0.10 -0.04 1.90 2.10 2yr5A1 ARG 573 HB3 0.05 0.06 0.00 -0.04 1.80 1.87 2yr5A1 ARG 573 HG2 0.02 -0.05 0.07 -0.04 1.67 1.67 2yr5A1 ARG 573 HG3 0.01 0.17 0.09 -0.04 1.67 1.90 2yr5A1 ARG 573 HD2 -0.00 -0.01 -0.07 -0.04 3.22 3.09 2yr5A1 ARG 573 HD3 0.02 -0.07 -0.05 -0.04 3.22 3.08 2yr5A1 ALA 574 H 0.11 0.42 -0.34 -0.55 8.40 8.04 2yr5A1 ALA 574 HA 0.45 0.01 0.63 -0.75 4.34 4.68 2yr5A1 ALA 574 HB3 0.09 -0.00 -0.00 -0.04 1.41 1.45 2yr5A1 TYR 575 H 0.18 0.40 -0.58 -0.55 8.29 7.74 2yr5A1 TYR 575 HA -0.36 -0.03 0.52 -0.75 4.56 3.93 2yr5A1 TYR 575 HB2 -0.31 0.03 0.07 -0.04 3.06 2.81 2yr5A1 TYR 575 HB3 -0.13 0.15 0.24 -0.04 2.98 3.21 2yr5A1 TYR 575 HD2 -1.08 0.02 0.00 -0.04 7.15 6.06 2yr5A1 TYR 575 HE2 -0.22 -0.02 -0.04 -0.04 6.85 6.53 2yr5A1 ARG 576 H -0.15 0.36 0.25 -0.55 8.46 8.38 2yr5A1 ARG 576 HA -0.17 0.14 0.81 -0.75 4.34 4.37 2yr5A1 ARG 576 HB2 -0.24 -0.06 -0.10 -0.04 1.90 1.45 2yr5A1 ARG 576 HB3 -0.19 -0.01 -0.07 -0.04 1.80 1.48 2yr5A1 ARG 576 HG2 -0.10 -0.01 -0.12 -0.04 1.67 1.41 2yr5A1 ARG 576 HG3 -0.02 0.05 -0.64 -0.04 1.67 1.03 2yr5A1 ARG 576 HD2 -0.06 0.16 0.04 -0.04 3.22 3.31 2yr5A1 ARG 576 HD3 -0.47 -0.11 -0.07 -0.04 3.22 2.53 2yr5A1 TYR 577 H 0.03 0.17 0.08 -0.55 8.29 8.01 2yr5A1 TYR 577 HA -0.13 0.22 0.51 -0.75 4.56 4.41 2yr5A1 TYR 577 HB2 -0.14 -0.01 0.08 -0.04 3.06 2.95 2yr5A1 TYR 577 HB3 -0.10 -0.03 -0.16 -0.04 2.98 2.65 2yr5A1 TYR 577 HD2 -0.14 0.01 -0.37 -0.04 7.15 6.61 2yr5A1 TYR 577 HE2 -0.14 0.06 -0.10 -0.04 6.85 6.63 2yr5A1 VAL 578 H -0.08 0.51 0.26 -0.55 8.24 8.38 2yr5A1 VAL 578 HA -0.26 0.13 0.79 -0.75 4.13 4.04 2yr5A1 VAL 578 HB -0.09 -0.02 0.11 -0.04 2.12 2.08 2yr5A1 VAL 578 HG13 -0.64 0.01 -0.20 -0.04 0.97 0.10 2yr5A1 VAL 578 HG23 -0.81 0.03 -0.18 -0.04 0.95 -0.06 2yr5A1 LYS 579 H -0.19 0.21 0.12 -0.55 8.42 8.00 2yr5A1 LYS 579 HA -0.00 0.08 0.72 -0.75 4.32 4.36 2yr5A1 LYS 579 HB2 -0.03 -0.05 -0.02 -0.04 1.87 1.73 2yr5A1 LYS 579 HB3 -0.09 0.02 0.13 -0.04 1.79 1.81 2yr5A1 LYS 579 HG2 -0.01 -0.02 -0.10 -0.04 1.46 1.29 2yr5A1 LYS 579 HG3 -0.01 -0.02 -0.39 -0.04 1.46 1.00 2yr5A1 LYS 579 HD2 0.05 -0.01 -0.17 -0.04 1.69 1.53 2yr5A1 LYS 579 HD3 0.03 -0.08 -0.25 -0.04 1.68 1.33 2yr5A1 LYS 579 HE2 0.05 -0.13 -0.23 -0.04 2.99 2.64 2yr5A1 LYS 579 HE3 0.05 0.45 -0.06 -0.04 2.99 3.39 2yr5A1 TYR 580 H 0.18 0.19 0.14 -0.55 8.29 8.24 2yr5A1 TYR 580 HA 0.08 0.18 0.96 -0.75 4.56 5.03 2yr5A1 TYR 580 HB2 0.09 -0.01 0.06 -0.04 3.06 3.16 2yr5A1 TYR 580 HB3 0.10 0.06 0.02 -0.04 2.98 3.12 2yr5A1 TYR 580 HD2 0.14 0.00 0.00 -0.04 7.15 7.26 2yr5A1 TYR 580 HE2 0.31 0.00 -0.04 -0.04 6.85 7.09 2yr5A1 ALA 581 H 0.18 0.15 0.15 -0.55 8.40 8.33 2yr5A1 ALA 581 HA 0.08 0.02 0.32 -0.75 4.34 4.01 2yr5A1 ALA 581 HB3 0.10 0.02 0.12 -0.04 1.41 1.61 2yr5A1 GLY 582 H 0.07 0.15 0.20 -0.55 8.43 8.30 2yr5A1 GLY 582 HA2 0.05 -0.01 0.38 -0.51 4.01 3.92 2yr5A1 GLY 582 HA3 0.07 0.13 0.60 -0.51 4.01 4.29 2yr5A1 ALA 583 H 0.11 0.44 -0.37 -0.55 8.40 8.03 2yr5A1 ALA 583 HA 0.07 0.03 0.57 -0.75 4.34 4.27 2yr5A1 ALA 583 HB3 0.13 0.02 0.08 -0.04 1.41 1.61 2yr5A1 SER 584 H 0.06 0.12 0.15 -0.55 8.46 8.24 2yr5A1 SER 584 HA 0.04 0.13 0.75 -0.75 4.49 4.66 2yr5A1 SER 584 HB2 0.04 -0.03 0.08 -0.04 3.95 4.00 2yr5A1 SER 584 HB3 0.03 -0.01 0.01 -0.04 3.93 3.92 2yr5A1 ASN 585 H 0.07 0.13 0.02 -0.55 8.53 8.21 2yr5A1 ASN 585 HA 0.04 0.13 0.67 -0.75 4.76 4.85 2yr5A1 ASN 585 HB2 0.06 -0.05 0.00 -0.04 2.88 2.86 2yr5A1 ASN 585 HB3 0.06 0.14 -0.02 -0.04 2.79 2.93 2yr5A1 ASN 585 HD21 0.02 0.01 -0.11 -0.04 7.03 6.91 2yr5A1 ASN 585 HD22 0.04 -0.05 -0.13 -0.04 7.74 7.56 2yr5A1 ALA 586 H 0.05 0.10 0.01 -0.55 8.40 8.01 2yr5A1 ALA 586 HA 0.12 0.19 0.54 -0.75 4.34 4.43 2yr5A1 ALA 586 HB3 0.09 -0.02 -0.22 -0.04 1.41 1.21 2yr5A1 GLN 587 H 0.13 0.31 0.20 -0.55 8.47 8.56 2yr5A1 GLN 587 HA 0.12 0.17 0.65 -0.75 4.36 4.54 2yr5A1 GLN 587 HB2 0.09 0.05 0.05 -0.04 2.15 2.29 2yr5A1 GLN 587 HB3 0.03 0.02 0.15 -0.04 2.02 2.18 2yr5A1 GLN 587 HG2 0.13 -0.02 -0.10 -0.04 2.40 2.38 2yr5A1 GLN 587 HG3 0.10 -0.01 -0.03 -0.04 2.39 2.40 2yr5A1 GLN 587 HE21 0.09 -0.07 -0.15 -0.04 6.97 6.80 2yr5A1 GLN 587 HE22 0.10 -0.03 -0.11 -0.04 7.69 7.60 2yr5A1 PRO 588 HA -0.72 0.13 0.60 -0.51 4.44 3.94 2yr5A1 PRO 588 HB2 -0.19 0.03 -0.05 -0.04 2.28 2.04 2yr5A1 PRO 588 HB3 -0.78 0.02 0.01 -0.04 2.02 1.23 2yr5A1 PRO 588 HG2 -0.12 0.04 0.01 -0.04 2.03 1.91 2yr5A1 PRO 588 HG3 -0.87 0.02 -0.04 -0.04 2.03 1.11 2yr5A1 PRO 588 HD2 -0.13 0.09 0.14 -0.04 3.68 3.74 2yr5A1 PRO 588 HD3 -0.29 0.09 0.10 -0.04 3.65 3.51 2yr5A1 TRP 589 H -0.04 0.52 0.42 -0.55 7.97 8.32 2yr5A1 TRP 589 HA 0.06 0.00 0.42 -0.75 4.62 4.35 2yr5A1 TRP 589 HB2 -0.13 0.20 0.29 -0.04 3.23 3.55 2yr5A1 TRP 589 HB3 -0.11 0.03 0.26 -0.04 3.23 3.38 2yr5A1 TRP 589 HD1 0.17 0.00 0.11 -0.04 7.22 7.46 2yr5A1 TRP 589 HE1 0.06 0.05 -0.03 -0.04 10.20 10.24 2yr5A1 TRP 589 HE3 -0.05 0.27 0.13 -0.04 7.59 7.90 2yr5A1 TRP 589 HZ2 -0.22 0.04 -0.11 -0.04 7.44 7.10 2yr5A1 TRP 589 HZ3 0.00 0.02 -0.06 -0.04 7.13 7.05 2yr5A1 TRP 589 HH2 -0.16 -0.03 -0.13 -0.04 7.19 6.83 2yr5A1 TRP 590 H 0.58 0.17 0.22 -0.55 7.97 8.39 2yr5A1 TRP 590 HA -0.04 0.08 0.35 -0.75 4.62 4.26 2yr5A1 TRP 590 HB2 0.33 0.14 0.10 -0.04 3.23 3.76 2yr5A1 TRP 590 HB3 0.18 0.02 0.20 -0.04 3.23 3.59 2yr5A1 TRP 590 HD1 0.36 -0.02 0.10 -0.04 7.22 7.62 2yr5A1 TRP 590 HE1 0.32 -0.02 0.01 -0.04 10.20 10.47 2yr5A1 TRP 590 HE3 0.38 -0.05 -0.26 -0.04 7.59 7.62 2yr5A1 TRP 590 HZ2 -0.01 -0.04 -0.03 -0.04 7.44 7.32 2yr5A1 TRP 590 HZ3 0.20 0.05 -0.08 -0.04 7.13 7.26 2yr5A1 TRP 590 HH2 0.03 0.09 -0.12 -0.04 7.19 7.16 2yr5A1 PHE 591 H -1.84 0.05 -0.30 -0.55 8.34 5.70 2yr5A1 PHE 591 HA -1.25 0.10 0.39 -0.75 4.62 3.10 2yr5A1 PHE 591 HB2 -2.82 -0.00 0.03 -0.04 3.15 0.32 2yr5A1 PHE 591 HB3 -2.89 0.03 -0.01 -0.04 3.06 0.14 2yr5A1 PHE 591 HD2 -1.10 0.01 -0.10 -0.04 7.28 6.05 2yr5A1 PHE 591 HE2 -0.21 0.08 -0.13 -0.04 7.38 7.08 2yr5A1 PHE 591 HZ -0.17 0.05 -0.15 -0.04 7.32 7.01 2yr5A1 TYR 592 H -0.22 0.33 -0.26 -0.55 8.29 7.59 2yr5A1 TYR 592 HA -0.31 0.05 0.51 -0.75 4.56 4.06 2yr5A1 TYR 592 HB2 0.01 0.08 -0.28 -0.04 3.06 2.83 2yr5A1 TYR 592 HB3 -0.07 0.26 0.04 -0.04 2.98 3.17 2yr5A1 TYR 592 HD2 -0.02 0.13 -0.15 -0.04 7.15 7.06 2yr5A1 TYR 592 HE2 -0.06 -0.02 -0.14 -0.04 6.85 6.60 2yr5A1 GLN 593 H -0.23 0.27 -0.25 -0.55 8.47 7.72 2yr5A1 GLN 593 HA -0.58 0.02 0.39 -0.75 4.36 3.44 2yr5A1 GLN 593 HB2 -1.13 0.20 0.10 -0.04 2.15 1.27 2yr5A1 GLN 593 HB3 -1.66 -0.04 -0.04 -0.04 2.02 0.25 2yr5A1 GLN 593 HG2 -0.43 -0.03 -0.03 -0.04 2.40 1.86 2yr5A1 GLN 593 HG3 -0.20 0.02 -0.04 -0.04 2.39 2.12 2yr5A1 GLN 593 HE21 -1.16 -0.03 -0.03 -0.04 6.97 5.71 2yr5A1 GLN 593 HE22 -1.01 -0.01 -0.03 -0.04 7.69 6.60 2yr5A1 LEU 594 H -0.15 0.39 -0.18 -0.55 8.37 7.88 2yr5A1 LEU 594 HA 0.37 0.03 0.39 -0.75 4.35 4.39 2yr5A1 LEU 594 HB2 0.58 0.03 0.01 -0.04 1.64 2.21 2yr5A1 LEU 594 HB3 -0.33 0.04 0.06 -0.04 1.64 1.36 2yr5A1 LEU 594 HG 0.03 -0.01 -0.28 -0.04 1.64 1.33 2yr5A1 LEU 594 HD13 0.22 0.00 -0.14 -0.04 0.93 0.98 2yr5A1 LEU 594 HD23 0.45 0.01 -0.13 -0.04 0.89 1.17 2yr5A1 LEU 595 H -0.60 0.64 -0.11 -0.55 8.37 7.76 2yr5A1 LEU 595 HA -0.17 0.00 0.38 -0.75 4.35 3.81 2yr5A1 LEU 595 HB2 -0.42 0.09 0.11 -0.04 1.64 1.38 2yr5A1 LEU 595 HB3 -0.34 -0.07 -0.04 -0.04 1.64 1.16 2yr5A1 LEU 595 HG -1.36 0.14 0.01 -0.04 1.64 0.39 2yr5A1 LEU 595 HD13 -0.34 -0.03 -0.15 -0.04 0.93 0.37 2yr5A1 LEU 595 HD23 -0.32 -0.01 -0.07 -0.04 0.89 0.44 2yr5A1 ALA 596 H -0.32 0.45 -0.36 -0.55 8.40 7.63 2yr5A1 ALA 596 HA -0.06 0.00 0.31 -0.75 4.34 3.85 2yr5A1 ALA 596 HB3 -0.34 -0.01 0.05 -0.04 1.41 1.07 2yr5A1 GLU 597 H -0.02 0.37 -0.45 -0.55 8.60 7.96 2yr5A1 GLU 597 HA 0.05 -0.01 0.56 -0.75 4.29 4.12 2yr5A1 GLU 597 HB2 0.13 0.28 0.11 -0.04 2.09 2.57 2yr5A1 GLU 597 HB3 0.11 -0.16 0.04 -0.04 1.99 1.94 2yr5A1 GLU 597 HG2 0.27 0.24 0.03 -0.04 2.34 2.84 2yr5A1 GLU 597 HG3 0.40 -0.06 0.00 -0.04 2.34 2.64 2yr5A1 ALA 598 H 0.03 0.37 -0.34 -0.55 8.40 7.91 2yr5A1 ALA 598 HA 0.02 -0.04 0.54 -0.75 4.34 4.10 2yr5A1 ALA 598 HB3 -0.08 -0.02 0.00 -0.04 1.41 1.27 2yr5A1 ARG 599 H 0.00 0.42 0.35 -0.55 8.46 8.69 2yr5A1 ARG 599 HA -0.01 0.08 0.47 -0.75 4.34 4.12 2yr5A1 ARG 599 HB2 -0.01 -0.18 0.18 -0.04 1.90 1.85 2yr5A1 ARG 599 HB3 0.03 -0.01 0.16 -0.04 1.80 1.94 2yr5A1 ARG 599 HG2 -0.02 0.09 0.11 -0.04 1.67 1.81 2yr5A1 ARG 599 HG3 -0.06 0.23 -0.10 -0.04 1.67 1.70 2yr5A1 ARG 599 HD2 -0.05 -0.14 -0.01 -0.04 3.22 2.98 2yr5A1 ARG 599 HD3 -0.03 -0.04 -0.00 -0.04 3.22 3.11 2yr5A1 THR 600 H -0.03 0.04 0.18 -0.55 8.28 7.93 2yr5A1 THR 600 HA -0.06 0.14 0.50 -0.75 4.39 4.21 2yr5A1 THR 600 HB -0.02 -0.07 0.16 -0.04 4.32 4.35 2yr5A1 THR 600 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.07 2yr5A1 ALA 601 H -0.04 0.01 0.00 -0.55 8.40 7.83 2yr5A1 ALA 601 HA -0.04 -0.00 0.48 -0.75 4.34 4.02 2yr5A1 ALA 601 HB3 -0.06 0.03 0.05 -0.04 1.41 1.39 2yr5A1 ASP 602 H -0.03 0.16 0.17 -0.55 8.40 8.16 2yr5A1 ASP 602 HA 0.02 0.09 0.26 -0.75 4.63 4.25 2yr5A1 ASP 602 HB2 -0.04 0.08 -0.03 -0.04 2.71 2.68 2yr5A1 ASP 602 HB3 -0.05 -0.05 0.05 -0.04 2.70 2.61 2yr5A1 ARG 603 H -0.04 0.07 -0.24 -0.55 8.46 7.69 2yr5A1 ARG 603 HA -0.09 0.25 0.80 -0.75 4.34 4.55 2yr5A1 ARG 603 HB2 -0.06 -0.24 -0.12 -0.04 1.90 1.44 2yr5A1 ARG 603 HB3 -0.09 0.04 -0.02 -0.04 1.80 1.68 2yr5A1 ARG 603 HG2 -0.80 0.01 0.02 -0.04 1.67 0.86 2yr5A1 ARG 603 HG3 -0.23 0.17 -0.14 -0.04 1.67 1.43 2yr5A1 ARG 603 HD2 -0.09 -0.07 0.03 -0.04 3.22 3.05 2yr5A1 ARG 603 HD3 -0.12 -0.11 -0.01 -0.04 3.22 2.94 2yr5A1 PHE 604 H 0.14 0.52 0.43 -0.55 8.34 8.88 2yr5A1 PHE 604 HA -0.00 0.32 1.09 -0.75 4.62 5.27 2yr5A1 PHE 604 HB2 0.14 0.07 -0.38 -0.04 3.15 2.94 2yr5A1 PHE 604 HB3 0.02 0.01 0.01 -0.04 3.06 3.06 2yr5A1 PHE 604 HD2 0.12 -0.02 -0.23 -0.04 7.28 7.11 2yr5A1 PHE 604 HE2 0.12 -0.03 -0.17 -0.04 7.38 7.27 2yr5A1 PHE 604 HZ 0.01 -0.08 -0.18 -0.04 7.32 7.03 2yr5A1 VAL 605 H -0.54 0.71 0.47 -0.55 8.24 8.32 2yr5A1 VAL 605 HA -0.16 0.30 0.94 -0.75 4.13 4.46 2yr5A1 VAL 605 HB -0.32 0.02 0.04 -0.04 2.12 1.83 2yr5A1 VAL 605 HG13 -0.49 -0.02 0.05 -0.04 0.97 0.47 2yr5A1 VAL 605 HG23 -1.11 -0.02 -0.21 -0.04 0.95 -0.44 2yr5A1 PHE 606 H -0.09 0.62 0.36 -0.55 8.34 8.67 2yr5A1 PHE 606 HA -0.49 0.32 0.98 -0.75 4.62 4.67 2yr5A1 PHE 606 HB2 -0.13 0.02 -0.03 -0.04 3.15 2.97 2yr5A1 PHE 606 HB3 -0.16 -0.01 0.11 -0.04 3.06 2.97 2yr5A1 PHE 606 HD2 -1.09 0.01 -0.20 -0.04 7.28 5.96 2yr5A1 PHE 606 HE2 -1.06 -0.04 -0.15 -0.04 7.38 6.09 2yr5A1 PHE 606 HZ -0.41 -0.08 -0.07 -0.04 7.32 6.71 2yr5A1 ASP 607 H -0.97 0.76 0.24 -0.55 8.40 7.88 2yr5A1 ASP 607 HA -0.09 0.16 1.05 -0.75 4.63 5.00 2yr5A1 ASP 607 HB2 -0.04 0.11 0.01 -0.04 2.71 2.75 2yr5A1 ASP 607 HB3 -0.15 -0.00 0.24 -0.04 2.70 2.74 2yr5A1 TRP 608 H 0.23 0.57 0.28 -0.55 7.97 8.50 2yr5A1 TRP 608 HA 0.19 0.04 0.46 -0.75 4.62 4.55 2yr5A1 TRP 608 HB2 0.12 0.06 0.02 -0.04 3.23 3.38 2yr5A1 TRP 608 HB3 0.11 0.13 -0.35 -0.04 3.23 3.08 2yr5A1 TRP 608 HD1 0.24 0.03 -0.12 -0.04 7.22 7.33 2yr5A1 TRP 608 HE1 0.18 0.59 0.05 -0.04 10.20 10.98 2yr5A1 TRP 608 HE3 0.21 -0.04 0.01 -0.04 7.59 7.74 2yr5A1 TRP 608 HZ2 -0.10 -0.02 -0.36 -0.04 7.44 6.91 2yr5A1 TRP 608 HZ3 0.09 -0.09 -0.10 -0.04 7.13 6.98 2yr5A1 TRP 608 HH2 -0.11 0.07 -0.09 -0.04 7.19 7.01 2yr5A1 THR 609 H 0.16 0.15 -0.28 -0.55 8.28 7.76 2yr5A1 THR 609 HA 0.09 0.09 0.22 -0.75 4.39 4.03 2yr5A1 THR 609 HB 0.08 0.07 -0.05 -0.04 4.32 4.38 2yr5A1 THR 609 HG23 0.04 0.03 -0.05 -0.04 1.22 1.20 2yr5A1 THR 610 H -0.01 0.17 -0.28 -0.55 8.28 7.61 2yr5A1 THR 610 HA -0.01 0.22 0.71 -0.75 4.39 4.55 2yr5A1 THR 610 HB 0.00 0.02 0.04 -0.04 4.32 4.34 2yr5A1 THR 610 HG23 -0.06 -0.01 -0.13 -0.04 1.22 0.98 2yr5A1 ASN 611 H -0.03 0.13 -0.29 -0.55 8.53 7.80 2yr5A1 ASN 611 HA 0.01 0.11 0.72 -0.75 4.76 4.84 2yr5A1 ASN 611 HB2 -0.03 0.07 0.11 -0.04 2.88 2.99 2yr5A1 ASN 611 HB3 0.29 0.17 0.11 -0.04 2.79 3.32 2yr5A1 ASN 611 HD21 0.43 -0.01 -0.02 -0.04 7.03 7.39 2yr5A1 ASN 611 HD22 0.53 0.03 -0.02 -0.04 7.74 8.24 2yr5A1 LYS 612 H 0.11 0.11 0.11 -0.55 8.42 8.19 2yr5A1 LYS 612 HA 0.05 0.18 0.22 -0.75 4.32 4.02 2yr5A1 LYS 612 HB2 0.08 -0.09 0.07 -0.04 1.87 1.90 2yr5A1 LYS 612 HB3 0.06 0.04 0.06 -0.04 1.79 1.91 2yr5A1 LYS 612 HG2 0.04 0.08 -0.01 -0.04 1.46 1.53 2yr5A1 LYS 612 HG3 0.05 -0.02 0.04 -0.04 1.46 1.49 2yr5A1 LYS 612 HD2 0.06 -0.07 0.00 -0.04 1.69 1.64 2yr5A1 LYS 612 HD3 0.04 0.03 -0.00 -0.04 1.68 1.71 2yr5A1 LYS 612 HE2 0.03 -0.01 0.02 -0.04 2.99 3.00 2yr5A1 LYS 612 HE3 0.03 0.01 0.00 -0.04 2.99 2.99 2yr5A1 THR 613 H 0.18 0.01 -0.38 -0.55 8.28 7.53 2yr5A1 THR 613 HA 0.03 -0.01 0.56 -0.75 4.39 4.22 2yr5A1 THR 613 HB 0.05 0.01 -0.06 -0.04 4.32 4.28 2yr5A1 THR 613 HG23 0.14 -0.05 -0.01 -0.04 1.22 1.25 2yr5A1 ALA 614 H 0.07 0.54 -0.32 -0.55 8.40 8.14 2yr5A1 ALA 614 HA 0.03 0.32 0.31 -0.75 4.34 4.24 2yr5A1 ALA 614 HB3 -0.02 -0.00 -0.04 -0.04 1.41 1.31 2yr5A1 GLY 615 H 0.13 0.40 -0.17 -0.55 8.43 8.25 2yr5A1 GLY 615 HA2 0.09 -0.21 0.01 -0.51 4.01 3.39 2yr5A1 GLY 615 HA3 -0.04 0.23 0.50 -0.51 4.01 4.18 2yr5A1 GLY 616 H -0.14 0.70 0.21 -0.55 8.43 8.65 2yr5A1 GLY 616 HA2 -0.18 0.08 0.59 -0.51 4.01 3.98 2yr5A1 GLY 616 HA3 -0.27 0.05 0.24 -0.51 4.01 3.51 2yr5A1 PHE 617 H -0.41 0.34 0.09 -0.55 8.34 7.82 2yr5A1 PHE 617 HA -0.14 -0.02 0.48 -0.75 4.62 4.18 2yr5A1 PHE 617 HB2 -0.20 -0.16 -0.01 -0.04 3.15 2.74 2yr5A1 PHE 617 HB3 -0.24 0.17 0.03 -0.04 3.06 2.97 2yr5A1 PHE 617 HD2 -0.23 0.11 -0.45 -0.04 7.28 6.66 2yr5A1 PHE 617 HE2 -0.18 0.05 -0.12 -0.04 7.38 7.09 2yr5A1 PHE 617 HZ -0.46 0.06 -0.08 -0.04 7.32 6.79 2yr5A1 LYS 618 H 0.08 -0.01 0.08 -0.55 8.42 8.01 2yr5A1 LYS 618 HA 0.07 0.36 0.63 -0.75 4.32 4.62 2yr5A1 LYS 618 HB2 0.09 -0.07 0.08 -0.04 1.87 1.93 2yr5A1 LYS 618 HB3 0.03 -0.09 0.10 -0.04 1.79 1.79 2yr5A1 LYS 618 HG2 0.04 -0.08 -0.35 -0.04 1.46 1.03 2yr5A1 LYS 618 HG3 0.01 0.09 -0.02 -0.04 1.46 1.50 2yr5A1 LYS 618 HD2 -0.05 -0.05 0.02 -0.04 1.69 1.57 2yr5A1 LYS 618 HD3 -0.09 0.07 0.11 -0.04 1.68 1.73 2yr5A1 LYS 618 HE2 -0.07 0.21 0.06 -0.04 2.99 3.15 2yr5A1 LYS 618 HE3 -0.05 -0.10 0.09 -0.04 2.99 2.89 2yr5A1 LEU 619 H 0.12 0.51 0.34 -0.55 8.37 8.79 2yr5A1 LEU 619 HA 0.09 0.12 0.68 -0.75 4.35 4.49 2yr5A1 LEU 619 HB2 0.14 -0.05 0.09 -0.04 1.64 1.77 2yr5A1 LEU 619 HB3 0.04 0.01 -0.01 -0.04 1.64 1.64 2yr5A1 LEU 619 HG 0.13 -0.01 -0.34 -0.04 1.64 1.37 2yr5A1 LEU 619 HD13 -0.17 -0.01 -0.04 -0.04 0.93 0.68 2yr5A1 LEU 619 HD23 0.02 0.05 0.01 -0.04 0.89 0.93 2yr5A1 ASP 620 H 0.08 0.16 0.13 -0.55 8.40 8.22 2yr5A1 ASP 620 HA 0.07 0.07 0.56 -0.75 4.63 4.58 2yr5A1 ASP 620 HB2 0.09 -0.04 0.19 -0.04 2.71 2.91 2yr5A1 ASP 620 HB3 0.08 0.05 0.03 -0.04 2.70 2.81 2yr5A1 MET 621 H 0.01 0.16 0.29 -0.55 8.47 8.38 2yr5A1 MET 621 HA -0.03 0.17 0.77 -0.75 4.52 4.67 2yr5A1 MET 621 HB2 -0.02 0.04 0.12 -0.04 2.15 2.25 2yr5A1 MET 621 HB3 -0.05 0.03 0.21 -0.04 2.03 2.18 2yr5A1 MET 621 HG2 -0.26 -0.00 0.11 -0.04 2.63 2.44 2yr5A1 MET 621 HG3 -0.21 0.06 0.07 -0.04 2.56 2.44 2yr5A1 MET 621 HE3 -0.22 -0.04 -0.33 -0.04 2.10 1.46 2yr5A1 THR 622 H -0.00 0.24 0.18 -0.55 8.28 8.15 2yr5A1 THR 622 HA 0.03 0.17 0.72 -0.75 4.39 4.55 2yr5A1 THR 622 HB 0.01 0.06 0.17 -0.04 4.32 4.52 2yr5A1 THR 622 HG23 0.00 0.03 -0.27 -0.04 1.22 0.94 2yr5A1 GLY 623 H 0.07 0.33 0.26 -0.55 8.43 8.55 2yr5A1 GLY 623 HA2 0.19 0.01 0.36 -0.51 4.01 4.06 2yr5A1 GLY 623 HA3 0.09 0.18 0.55 -0.51 4.01 4.31 2yr5A1 ASP 624 H 0.08 0.54 -0.36 -0.55 8.40 8.12 2yr5A1 ASP 624 HA 0.10 0.18 0.43 -0.75 4.63 4.58 2yr5A1 ASP 624 HB2 0.06 0.12 0.17 -0.04 2.71 3.02 2yr5A1 ASP 624 HB3 0.05 -0.07 0.15 -0.04 2.70 2.79 2yr5A1 HIS 625 H 0.13 0.11 -0.20 -0.55 8.41 7.90 2yr5A1 HIS 625 HA 0.06 0.03 0.30 -0.75 4.63 4.26 2yr5A1 HIS 625 HB2 -0.11 -0.03 0.09 -0.04 3.26 3.17 2yr5A1 HIS 625 HB3 -0.40 0.02 0.03 -0.04 3.20 2.80 2yr5A1 HIS 625 HD2 -0.44 0.03 -0.22 -0.04 6.97 6.29 2yr5A1 HIS 625 HE1 -0.13 0.06 -0.04 -0.04 7.75 7.60 2yr5A1 HIS 626 H -0.14 0.21 -0.25 -0.55 8.41 7.68 2yr5A1 HIS 626 HA -0.02 0.09 0.46 -0.75 4.63 4.41 2yr5A1 HIS 626 HB2 0.03 0.08 0.01 -0.04 3.26 3.35 2yr5A1 HIS 626 HB3 0.04 0.04 0.02 -0.04 3.20 3.26 2yr5A1 HIS 626 HD2 0.09 0.05 -0.01 -0.04 6.97 7.06 2yr5A1 HIS 626 HE1 0.02 -0.02 0.00 -0.04 7.75 7.71 2yr5A1 GLN 627 H 0.08 0.25 -0.29 -0.55 8.47 7.96 2yr5A1 GLN 627 HA 0.05 0.15 0.72 -0.75 4.36 4.53 2yr5A1 GLN 627 HB2 0.04 0.01 0.17 -0.04 2.15 2.33 2yr5A1 GLN 627 HB3 0.02 0.07 -0.04 -0.04 2.02 2.02 2yr5A1 GLN 627 HG2 0.03 0.08 -0.00 -0.04 2.40 2.47 2yr5A1 GLN 627 HG3 0.04 -0.00 0.03 -0.04 2.39 2.41 2yr5A1 GLN 627 HE21 0.07 0.05 -0.04 -0.04 6.97 7.00 2yr5A1 GLN 627 HE22 0.05 -0.00 -0.03 -0.04 7.69 7.67 2yr5A1 SER 628 H 0.00 0.50 0.11 -0.55 8.46 8.53 2yr5A1 SER 628 HA 0.00 0.09 0.44 -0.75 4.49 4.27 2yr5A1 SER 628 HB2 -0.12 0.09 0.01 -0.04 3.95 3.88 2yr5A1 SER 628 HB3 -0.01 -0.06 0.10 -0.04 3.93 3.91 2yr5A1 ASN 629 H -0.12 0.67 -0.09 -0.55 8.53 8.45 2yr5A1 ASN 629 HA 0.19 0.02 0.48 -0.75 4.76 4.69 2yr5A1 ASN 629 HB2 -0.56 -0.06 0.09 -0.04 2.88 2.30 2yr5A1 ASN 629 HB3 -0.23 0.06 0.02 -0.04 2.79 2.60 2yr5A1 ASN 629 HD21 0.46 0.11 0.02 -0.04 7.03 7.58 2yr5A1 ASN 629 HD22 0.88 -0.10 0.01 -0.04 7.74 8.48 2yr5A1 LEU 630 H 0.04 0.27 -0.43 -0.55 8.37 7.71 2yr5A1 LEU 630 HA 0.11 0.08 0.47 -0.75 4.35 4.26 2yr5A1 LEU 630 HB2 0.08 0.11 0.14 -0.04 1.64 1.93 2yr5A1 LEU 630 HB3 0.07 0.11 0.12 -0.04 1.64 1.90 2yr5A1 LEU 630 HG 0.10 -0.03 -0.21 -0.04 1.64 1.46 2yr5A1 LEU 630 HD13 0.09 0.00 0.02 -0.04 0.93 1.00 2yr5A1 LEU 630 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 2yr5A1 CYS 631 H 0.09 0.36 -0.22 -0.55 8.50 8.18 2yr5A1 CYS 631 HA 0.10 0.03 0.57 -0.75 4.58 4.53 2yr5A1 CYS 631 HB2 0.16 0.15 0.18 -0.04 2.97 3.42 2yr5A1 CYS 631 HB3 0.23 -0.11 0.04 -0.04 2.97 3.08 2yr5A1 PHE 632 H 0.22 0.51 -0.15 -0.55 8.34 8.37 2yr5A1 PHE 632 HA 0.13 0.22 0.46 -0.75 4.62 4.68 2yr5A1 PHE 632 HB2 -0.22 -0.09 -0.11 -0.04 3.15 2.69 2yr5A1 PHE 632 HB3 0.07 0.11 0.08 -0.04 3.06 3.27 2yr5A1 PHE 632 HD2 0.14 0.12 0.04 -0.04 7.28 7.54 2yr5A1 PHE 632 HE2 0.12 0.07 -0.09 -0.04 7.38 7.43 2yr5A1 PHE 632 HZ 0.17 -0.01 -0.09 -0.04 7.32 7.36 2yr5A1 ARG 633 H 0.21 0.40 -0.41 -0.55 8.46 8.11 2yr5A1 ARG 633 HA -0.08 0.15 0.66 -0.75 4.34 4.32 2yr5A1 ARG 633 HB2 0.10 0.05 0.06 -0.04 1.90 2.07 2yr5A1 ARG 633 HB3 -0.00 0.03 0.10 -0.04 1.80 1.88 2yr5A1 ARG 633 HG2 0.12 -0.03 -0.02 -0.04 1.67 1.70 2yr5A1 ARG 633 HG3 0.28 0.05 0.01 -0.04 1.67 1.96 2yr5A1 ARG 633 HD2 0.10 0.30 0.03 -0.04 3.22 3.61 2yr5A1 ARG 633 HD3 0.20 -0.11 0.02 -0.04 3.22 3.29 2yr5A1 TYR 634 H 0.28 0.39 -0.40 -0.55 8.29 8.01 2yr5A1 TYR 634 HA 0.06 0.01 0.25 -0.75 4.56 4.12 2yr5A1 TYR 634 HB2 0.06 0.03 0.16 -0.04 3.06 3.26 2yr5A1 TYR 634 HB3 0.10 0.15 0.18 -0.04 2.98 3.38 2yr5A1 TYR 634 HD2 0.09 -0.03 -0.05 -0.04 7.15 7.12 2yr5A1 TYR 634 HE2 -0.02 -0.01 -0.12 -0.04 6.85 6.65 2yr5A1 HIS 635 H 0.41 0.22 -0.27 -0.55 8.41 8.23 2yr5A1 HIS 635 HA -0.10 0.05 0.36 -0.75 4.63 4.19 2yr5A1 HIS 635 HB2 0.07 -0.00 0.06 -0.04 3.26 3.35 2yr5A1 HIS 635 HB3 0.19 -0.06 -0.02 -0.04 3.20 3.27 2yr5A1 HIS 635 HD2 -0.08 -0.07 -0.15 -0.04 6.97 6.62 2yr5A1 HIS 635 HE1 -0.35 0.16 0.18 -0.04 7.75 7.69 2yr5A1 THR 636 H -0.55 0.56 -0.33 -0.55 8.28 7.41 2yr5A1 THR 636 HA -0.26 0.06 0.56 -0.75 4.39 3.99 2yr5A1 THR 636 HB -0.15 -0.05 0.17 -0.04 4.32 4.24 2yr5A1 THR 636 HG23 -0.40 0.03 0.05 -0.04 1.22 0.86 2yr5A1 HIS 637 H -0.25 0.59 -0.29 -0.55 8.41 7.91 2yr5A1 HIS 637 HA -0.10 -0.04 0.49 -0.75 4.63 4.22 2yr5A1 HIS 637 HB2 -0.15 -0.02 0.09 -0.04 3.26 3.15 2yr5A1 HIS 637 HB3 -0.32 0.04 0.11 -0.04 3.20 2.99 2yr5A1 HIS 637 HD2 -1.60 0.07 -0.05 -0.04 6.97 5.35 2yr5A1 HIS 637 HE1 -0.41 0.28 -0.16 -0.04 7.75 7.42 2yr5A1 ALA 638 H -0.35 0.42 -0.40 -0.55 8.40 7.53 2yr5A1 ALA 638 HA 0.07 0.08 0.28 -0.75 4.34 4.02 2yr5A1 ALA 638 HB3 -0.01 -0.02 0.01 -0.04 1.41 1.34 2yr5A1 LEU 639 H -0.05 0.44 -0.43 -0.55 8.37 7.78 2yr5A1 LEU 639 HA -0.01 0.08 0.54 -0.75 4.35 4.21 2yr5A1 LEU 639 HB2 -0.03 0.12 0.02 -0.04 1.64 1.71 2yr5A1 LEU 639 HB3 -0.02 -0.26 0.01 -0.04 1.64 1.33 2yr5A1 LEU 639 HG -0.06 0.02 0.03 -0.04 1.64 1.59 2yr5A1 LEU 639 HD13 -0.04 0.00 0.02 -0.04 0.93 0.87 2yr5A1 LEU 639 HD23 -0.03 -0.03 -0.01 -0.04 0.89 0.78 2yr5A1 ALA 640 H 0.02 0.52 -0.31 -0.55 8.40 8.08 2yr5A1 ALA 640 HA 0.01 0.09 0.61 -0.75 4.34 4.29 2yr5A1 ALA 640 HB3 0.02 0.02 0.13 -0.04 1.41 1.53 2yr5A1 ALA 641 H 0.01 0.23 0.11 -0.55 8.40 8.20 2yr5A1 ALA 641 HA 0.03 0.16 0.07 -0.75 4.34 3.84 2yr5A1 ALA 641 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 2yr5A1 SER 642 H 0.00 0.04 -0.06 -0.55 8.46 7.89 2yr5A1 SER 642 HA -0.00 0.18 0.38 -0.75 4.49 4.29 2yr5A1 SER 642 HB2 -0.01 -0.05 0.09 -0.04 3.95 3.94 2yr5A1 SER 642 HB3 -0.02 0.01 0.09 -0.04 3.93 3.97 2yr5A1 LEU 643 H -0.01 0.11 -0.46 -0.55 8.37 7.47 2yr5A1 LEU 643 HA -0.07 -0.06 0.18 -0.75 4.35 3.64 2yr5A1 LEU 643 HB2 -0.02 -0.12 0.03 -0.04 1.64 1.50 2yr5A1 LEU 643 HB3 0.00 0.28 0.06 -0.04 1.64 1.94 2yr5A1 LEU 643 HG -0.09 -0.02 -0.22 -0.04 1.64 1.27 2yr5A1 LEU 643 HD13 -0.07 -0.05 -0.30 -0.04 0.93 0.47 2yr5A1 LEU 643 HD23 -0.03 0.07 0.05 -0.04 0.89 0.94 2yr5A1 ASP 644 H 0.02 0.29 -0.17 -0.55 8.40 7.99 2yr5A1 ASP 644 HA 0.07 0.08 0.23 -0.75 4.63 4.25 2yr5A1 ASP 644 HB2 -0.02 0.08 -0.23 -0.04 2.71 2.51 2yr5A1 ASP 644 HB3 -0.07 0.01 -0.05 -0.04 2.70 2.55 2yr5A1 ASN 645 H 0.01 0.04 -0.28 -0.55 8.53 7.75 2yr5A1 ASN 645 HA -0.04 -0.01 0.48 -0.75 4.76 4.45 2yr5A1 ASN 645 HB2 -0.21 0.14 0.06 -0.04 2.88 2.82 2yr5A1 ASN 645 HB3 -0.32 -0.02 0.06 -0.04 2.79 2.47 2yr5A1 ASN 645 HD21 -0.42 -0.09 -0.06 -0.04 7.03 6.42 2yr5A1 ASN 645 HD22 -0.76 0.26 -0.08 -0.04 7.74 7.12 2yr5A1 ARG 646 H 0.80 0.11 0.24 -0.55 8.46 9.06 2yr5A1 ARG 646 HA 0.36 0.22 0.68 -0.75 4.34 4.85 2yr5A1 ARG 646 HB2 -0.12 -0.11 0.10 -0.04 1.90 1.73 2yr5A1 ARG 646 HB3 -0.06 0.04 0.28 -0.04 1.80 2.01 2yr5A1 ARG 646 HG2 0.21 0.13 0.13 -0.04 1.67 2.10 2yr5A1 ARG 646 HG3 -0.00 -0.07 0.14 -0.04 1.67 1.71 2yr5A1 ARG 646 HD2 0.01 0.07 0.10 -0.04 3.22 3.35 2yr5A1 ARG 646 HD3 0.26 -0.00 -0.43 -0.04 3.22 3.01 2yr5A1 PHE 647 H 0.16 0.15 -0.09 -0.55 8.34 8.00 2yr5A1 PHE 647 HA 0.08 0.26 1.00 -0.75 4.62 5.20 2yr5A1 PHE 647 HB2 -0.02 0.15 0.05 -0.04 3.15 3.29 2yr5A1 PHE 647 HB3 -0.01 -0.04 -0.15 -0.04 3.06 2.82 2yr5A1 PHE 647 HD2 -0.23 0.01 -0.04 -0.04 7.28 6.99 2yr5A1 PHE 647 HE2 -0.52 0.02 -0.18 -0.04 7.38 6.66 2yr5A1 PHE 647 HZ -0.20 0.11 -0.01 -0.04 7.32 7.19 2yr5A1 PHE 648 H 0.33 0.65 0.43 -0.55 8.34 9.21 2yr5A1 PHE 648 HA 0.49 0.15 0.77 -0.75 4.62 5.29 2yr5A1 PHE 648 HB2 0.12 -0.04 0.02 -0.04 3.15 3.21 2yr5A1 PHE 648 HB3 0.15 -0.04 0.10 -0.04 3.06 3.23 2yr5A1 PHE 648 HD2 0.09 -0.03 -0.08 -0.04 7.28 7.22 2yr5A1 PHE 648 HE2 -0.16 0.07 -0.10 -0.04 7.38 7.15 2yr5A1 PHE 648 HZ -0.08 0.07 -0.22 -0.04 7.32 7.05 2yr5A1 ILE 649 H 0.38 0.26 0.17 -0.55 8.25 8.50 2yr5A1 ILE 649 HA 0.12 0.23 0.91 -0.75 4.18 4.69 2yr5A1 ILE 649 HB -0.46 -0.04 0.04 -0.04 1.89 1.40 2yr5A1 ILE 649 HG12 0.12 -0.01 0.08 -0.04 1.49 1.64 2yr5A1 ILE 649 HG13 -0.02 -0.02 -0.10 -0.04 1.21 1.02 2yr5A1 ILE 649 HG23 -0.30 0.01 -0.23 -0.04 0.93 0.37 2yr5A1 ILE 649 HD13 -0.75 0.03 -0.00 -0.04 0.88 0.12 2yr5A1 ALA 650 H 0.26 0.50 0.08 -0.55 8.40 8.70 2yr5A1 ALA 650 HA 0.21 0.19 0.59 -0.75 4.34 4.58 2yr5A1 ALA 650 HB3 0.13 0.01 -0.26 -0.04 1.41 1.25 2yr5A1 SER 651 H 0.21 0.44 0.06 -0.55 8.46 8.63 2yr5A1 SER 651 HA -0.01 0.00 0.46 -0.75 4.49 4.19 2yr5A1 SER 651 HB2 0.03 0.21 -0.44 -0.04 3.95 3.72 2yr5A1 SER 651 HB3 -0.49 0.08 -0.23 -0.04 3.93 3.25 2yr5A1 ASP 652 H -0.10 0.12 0.07 -0.55 8.40 7.94 2yr5A1 ASP 652 HA -0.07 0.19 0.10 -0.75 4.63 4.10 2yr5A1 ASP 652 HB2 -0.07 0.12 0.15 -0.04 2.71 2.86 2yr5A1 ASP 652 HB3 -0.09 -0.01 0.10 -0.04 2.70 2.66 2yr5A1 SER 653 H -0.30 0.01 -0.36 -0.55 8.46 7.26 2yr5A1 SER 653 HA -0.11 0.05 0.48 -0.75 4.49 4.15 2yr5A1 SER 653 HB2 -0.87 0.04 -0.01 -0.04 3.95 3.07 2yr5A1 SER 653 HB3 -0.24 0.18 0.01 -0.04 3.93 3.83 2yr5A1 TYR 654 H -0.33 0.40 -0.54 -0.55 8.29 7.27 2yr5A1 TYR 654 HA 0.03 0.21 0.74 -0.75 4.56 4.78 2yr5A1 TYR 654 HB2 0.09 -0.02 0.02 -0.04 3.06 3.11 2yr5A1 TYR 654 HB3 0.10 0.16 -0.06 -0.04 2.98 3.13 2yr5A1 TYR 654 HD2 0.04 0.03 -0.23 -0.04 7.15 6.95 2yr5A1 TYR 654 HE2 0.05 0.08 -0.10 -0.04 6.85 6.84 2yr5A1 SER 655 H -0.07 0.27 -0.44 -0.55 8.46 7.69 2yr5A1 SER 655 HA 0.05 0.29 0.78 -0.75 4.49 4.86 2yr5A1 SER 655 HB2 -0.08 -0.02 0.10 -0.04 3.95 3.91 2yr5A1 SER 655 HB3 0.02 0.16 -0.19 -0.04 3.93 3.88 2yr5A1 HIS 656 H -0.42 0.23 0.05 -0.55 8.41 7.73 2yr5A1 HIS 656 HA -0.12 0.16 0.78 -0.75 4.63 4.70 2yr5A1 HIS 656 HB2 -0.44 0.03 0.07 -0.04 3.26 2.88 2yr5A1 HIS 656 HB3 -0.14 0.01 0.18 -0.04 3.20 3.21 2yr5A1 HIS 656 HD2 -1.01 0.08 -0.09 -0.04 6.97 5.90 2yr5A1 HIS 656 HE1 -0.17 -0.05 -0.11 -0.04 7.75 7.37 2yr5A1 LEU 657 H -0.12 0.08 -0.44 -0.55 8.37 7.35 2yr5A1 LEU 657 HA 0.02 0.27 0.57 -0.75 4.35 4.45 2yr5A1 LEU 657 HB2 -0.20 -0.12 0.02 -0.04 1.64 1.30 2yr5A1 LEU 657 HB3 -0.01 -0.06 0.09 -0.04 1.64 1.61 2yr5A1 LEU 657 HG -0.62 -0.01 -0.48 -0.04 1.64 0.50 2yr5A1 LEU 657 HD13 -1.18 -0.00 -0.16 -0.04 0.93 -0.45 2yr5A1 LEU 657 HD23 -0.87 0.06 0.01 -0.04 0.89 0.04 2yr5A1 GLY 658 H 0.01 0.17 -0.08 -0.55 8.43 7.99 2yr5A1 GLY 658 HA2 -0.04 -0.13 0.60 -0.51 4.01 3.92 2yr5A1 GLY 658 HA3 0.01 0.24 0.35 -0.51 4.01 4.09 2yr5A1 GLY 659 H -0.19 -0.05 0.17 -0.55 8.43 7.82 2yr5A1 GLY 659 HA2 -1.02 -0.01 0.27 -0.51 4.01 2.74 2yr5A1 GLY 659 HA3 -1.41 0.25 0.68 -0.51 4.01 3.02 2yr5A1 TRP 660 H -0.14 0.25 0.04 -0.55 7.97 7.58 2yr5A1 TRP 660 HA -0.05 0.23 0.88 -0.75 4.62 4.92 2yr5A1 TRP 660 HB2 -0.01 -0.08 0.02 -0.04 3.23 3.12 2yr5A1 TRP 660 HB3 0.26 -0.09 0.03 -0.04 3.23 3.39 2yr5A1 TRP 660 HD1 -0.09 -0.06 -0.36 -0.04 7.22 6.66 2yr5A1 TRP 660 HE1 -0.01 0.02 -0.12 -0.04 10.20 10.05 2yr5A1 TRP 660 HE3 0.11 -0.15 0.14 -0.04 7.59 7.65 2yr5A1 TRP 660 HZ2 0.01 -0.03 -0.08 -0.04 7.44 7.30 2yr5A1 TRP 660 HZ3 -0.05 0.17 0.08 -0.04 7.13 7.29 2yr5A1 TRP 660 HH2 0.28 0.04 -0.07 -0.04 7.19 7.40 2yr5A1 LEU 661 H 0.19 0.32 0.13 -0.55 8.37 8.47 2yr5A1 LEU 661 HA -0.29 -0.03 0.46 -0.75 4.35 3.73 2yr5A1 LEU 661 HB2 0.10 0.08 0.06 -0.04 1.64 1.84 2yr5A1 LEU 661 HB3 -0.67 0.05 -0.02 -0.04 1.64 0.96 2yr5A1 LEU 661 HG 0.17 0.03 0.05 -0.04 1.64 1.85 2yr5A1 LEU 661 HD13 0.02 0.04 -0.06 -0.04 0.93 0.89 2yr5A1 LEU 661 HD23 -0.24 -0.02 -0.00 -0.04 0.89 0.58 2yr5A1 GLU 662 H 0.32 0.17 -0.24 -0.55 8.60 8.31 2yr5A1 GLU 662 HA 0.29 0.03 0.32 -0.75 4.29 4.18 2yr5A1 GLU 662 HB2 0.47 0.04 0.06 -0.04 2.09 2.62 2yr5A1 GLU 662 HB3 0.13 0.06 -0.04 -0.04 1.99 2.09 2yr5A1 GLU 662 HG2 0.01 0.15 -0.05 -0.04 2.34 2.41 2yr5A1 GLU 662 HG3 -0.05 0.01 -0.12 -0.04 2.34 2.14 2yr5A1 GLY 663 H 0.10 0.29 -0.25 -0.55 8.43 8.03 2yr5A1 GLY 663 HA2 -0.09 0.07 0.49 -0.51 4.01 3.97 2yr5A1 GLY 663 HA3 -0.03 0.15 0.24 -0.51 4.01 3.85 2yr5A1 ALA 664 H -0.09 0.35 -0.08 -0.55 8.40 8.03 2yr5A1 ALA 664 HA -0.02 -0.09 0.11 -0.75 4.34 3.57 2yr5A1 ALA 664 HB3 -0.21 -0.02 0.01 -0.04 1.41 1.15 2yr5A1 PHE 665 H -0.02 0.65 -0.21 -0.55 8.34 8.20 2yr5A1 PHE 665 HA 0.09 0.05 0.34 -0.75 4.62 4.35 2yr5A1 PHE 665 HB2 0.17 0.01 -0.02 -0.04 3.15 3.27 2yr5A1 PHE 665 HB3 0.39 0.07 -0.13 -0.04 3.06 3.35 2yr5A1 PHE 665 HD2 0.06 -0.05 -0.29 -0.04 7.28 6.96 2yr5A1 PHE 665 HE2 -0.08 0.03 -0.07 -0.04 7.38 7.22 2yr5A1 PHE 665 HZ -0.69 0.01 -0.10 -0.04 7.32 6.50 2yr5A1 MET 666 H 0.13 0.55 -0.16 -0.55 8.47 8.45 2yr5A1 MET 666 HA 0.23 0.07 0.46 -0.75 4.52 4.53 2yr5A1 MET 666 HB2 -0.07 -0.02 0.16 -0.04 2.15 2.18 2yr5A1 MET 666 HB3 -0.22 0.04 -0.01 -0.04 2.03 1.81 2yr5A1 MET 666 HG2 -0.87 0.01 0.04 -0.04 2.63 1.77 2yr5A1 MET 666 HG3 -0.14 0.09 0.08 -0.04 2.56 2.55 2yr5A1 MET 666 HE3 -0.64 0.02 -0.00 -0.04 2.10 1.44 2yr5A1 SER 667 H 0.11 0.45 -0.30 -0.55 8.46 8.18 2yr5A1 SER 667 HA 0.12 0.17 0.51 -0.75 4.49 4.54 2yr5A1 SER 667 HB2 0.15 0.10 -0.07 -0.04 3.95 4.08 2yr5A1 SER 667 HB3 0.11 -0.11 -0.01 -0.04 3.93 3.88 2yr5A1 ALA 668 H 0.15 0.48 -0.20 -0.55 8.40 8.29 2yr5A1 ALA 668 HA 0.10 -0.00 0.45 -0.75 4.34 4.14 2yr5A1 ALA 668 HB3 0.14 0.00 0.04 -0.04 1.41 1.55 2yr5A1 LEU 669 H 0.19 0.48 -0.26 -0.55 8.37 8.23 2yr5A1 LEU 669 HA 0.06 0.02 0.38 -0.75 4.35 4.05 2yr5A1 LEU 669 HB2 0.26 0.07 0.10 -0.04 1.64 2.03 2yr5A1 LEU 669 HB3 0.20 0.06 0.02 -0.04 1.64 1.88 2yr5A1 LEU 669 HG -0.02 -0.01 -0.04 -0.04 1.64 1.53 2yr5A1 LEU 669 HD13 0.14 -0.00 -0.08 -0.04 0.93 0.95 2yr5A1 LEU 669 HD23 -0.05 -0.00 -0.11 -0.04 0.89 0.69 2yr5A1 ASN 670 H 0.04 0.56 -0.07 -0.55 8.53 8.51 2yr5A1 ASN 670 HA -0.34 0.05 0.49 -0.75 4.76 4.21 2yr5A1 ASN 670 HB2 -0.23 0.13 0.26 -0.04 2.88 2.99 2yr5A1 ASN 670 HB3 -1.43 -0.05 0.05 -0.04 2.79 1.31 2yr5A1 ASN 670 HD21 -0.47 -0.11 0.03 -0.04 7.03 6.44 2yr5A1 ASN 670 HD22 -0.18 0.02 0.13 -0.04 7.74 7.67 2yr5A1 ALA 671 H -0.03 0.57 -0.14 -0.55 8.40 8.25 2yr5A1 ALA 671 HA 0.08 -0.03 0.36 -0.75 4.34 4.00 2yr5A1 ALA 671 HB3 0.11 0.06 -0.02 -0.04 1.41 1.52 2yr5A1 VAL 672 H -0.08 0.55 -0.16 -0.55 8.24 8.00 2yr5A1 VAL 672 HA -0.25 0.02 0.43 -0.75 4.13 3.57 2yr5A1 VAL 672 HB -0.06 0.08 0.06 -0.04 2.12 2.16 2yr5A1 VAL 672 HG13 -0.13 -0.01 -0.19 -0.04 0.97 0.60 2yr5A1 VAL 672 HG23 -0.04 0.02 -0.01 -0.04 0.95 0.87 2yr5A1 ALA 673 H -0.14 0.62 -0.14 -0.55 8.40 8.19 2yr5A1 ALA 673 HA -0.14 0.01 0.41 -0.75 4.34 3.87 2yr5A1 ALA 673 HB3 -0.10 0.02 0.02 -0.04 1.41 1.31 2yr5A1 GLY 674 H -0.17 0.68 -0.16 -0.55 8.43 8.24 2yr5A1 GLY 674 HA2 -0.11 -0.00 0.45 -0.51 4.01 3.84 2yr5A1 GLY 674 HA3 -0.18 0.07 0.29 -0.51 4.01 3.67 2yr5A1 LEU 675 H -0.88 0.53 -0.21 -0.55 8.37 7.26 2yr5A1 LEU 675 HA -0.78 0.02 0.36 -0.75 4.35 3.20 2yr5A1 LEU 675 HB2 -0.81 0.03 0.05 -0.04 1.64 0.87 2yr5A1 LEU 675 HB3 -0.49 0.09 0.11 -0.04 1.64 1.32 2yr5A1 LEU 675 HG -0.80 -0.00 -0.04 -0.04 1.64 0.75 2yr5A1 LEU 675 HD13 -0.11 -0.03 -0.15 -0.04 0.93 0.60 2yr5A1 LEU 675 HD23 -0.54 -0.01 -0.30 -0.04 0.89 0.00 2yr5A1 ILE 676 H -0.33 0.60 -0.25 -0.55 8.25 7.72 2yr5A1 ILE 676 HA -0.25 -0.00 0.25 -0.75 4.18 3.43 2yr5A1 ILE 676 HB -0.17 0.14 0.02 -0.04 1.89 1.85 2yr5A1 ILE 676 HG12 -0.18 -0.03 -0.23 -0.04 1.49 1.01 2yr5A1 ILE 676 HG13 -0.23 0.07 -0.08 -0.04 1.21 0.93 2yr5A1 ILE 676 HG23 -0.11 0.02 -0.32 -0.04 0.93 0.48 2yr5A1 ILE 676 HD13 -0.13 -0.03 -0.29 -0.04 0.88 0.39 2yr5A1 VAL 677 H -0.16 0.52 -0.22 -0.55 8.24 7.83 2yr5A1 VAL 677 HA -0.06 0.06 0.31 -0.75 4.13 3.69 2yr5A1 VAL 677 HB -0.07 0.12 0.02 -0.04 2.12 2.14 2yr5A1 VAL 677 HG13 -0.03 -0.01 -0.49 -0.04 0.97 0.40 2yr5A1 VAL 677 HG23 -0.07 0.03 -0.11 -0.04 0.95 0.76 2yr5A1 ARG 678 H -0.07 0.70 -0.16 -0.55 8.46 8.37 2yr5A1 ARG 678 HA 0.10 0.01 0.49 -0.75 4.34 4.18 2yr5A1 ARG 678 HB2 0.31 -0.03 0.08 -0.04 1.90 2.22 2yr5A1 ARG 678 HB3 0.11 0.07 0.13 -0.04 1.80 2.06 2yr5A1 ARG 678 HG2 0.50 0.11 -0.05 -0.04 1.67 2.20 2yr5A1 ARG 678 HG3 0.46 -0.03 -0.26 -0.04 1.67 1.79 2yr5A1 ARG 678 HD2 0.23 -0.04 -0.17 -0.04 3.22 3.20 2yr5A1 ARG 678 HD3 0.18 -0.06 0.08 -0.04 3.22 3.37 2yr5A1 ALA 679 H -0.17 0.70 -0.13 -0.55 8.40 8.26 2yr5A1 ALA 679 HA 0.29 -0.00 0.42 -0.75 4.34 4.30 2yr5A1 ALA 679 HB3 -0.16 0.01 0.08 -0.04 1.41 1.30 2yr5A1 ASN 680 H -0.01 0.39 -0.55 -0.55 8.53 7.82 2yr5A1 ASN 680 HA 0.04 0.11 0.82 -0.75 4.76 4.97 2yr5A1 ASN 680 HB2 -0.02 0.13 0.15 -0.04 2.88 3.10 2yr5A1 ASN 680 HB3 0.00 -0.17 0.23 -0.04 2.79 2.82 2yr5A1 ASN 680 HD21 -0.04 0.31 0.19 -0.04 7.03 7.45 2yr5A1 ASN 680 HD22 -0.06 0.47 0.06 -0.04 7.74 8.16 2yr5A1 ARG 681 H 0.07 0.57 -0.38 -0.55 8.46 8.16 2yr5A1 ARG 681 HA 0.06 0.13 0.36 -0.75 4.34 4.13 2yr5A1 ARG 681 HB2 0.03 0.03 -0.15 -0.04 1.90 1.77 2yr5A1 ARG 681 HB3 0.03 -0.09 0.17 -0.04 1.80 1.87 2yr5A1 ARG 681 HG2 0.07 0.07 0.04 -0.04 1.67 1.81 2yr5A1 ARG 681 HG3 0.07 0.07 -0.13 -0.04 1.67 1.64 2yr5A1 ARG 681 HD2 0.03 -0.04 -0.04 -0.04 3.22 3.12 2yr5A1 ARG 681 HD3 0.03 -0.05 0.00 -0.04 3.22 3.16 2yr5A1 GLY 682 H 0.03 0.57 -0.12 -0.55 8.43 8.36 2yr5A1 GLY 682 HA2 0.01 0.25 0.23 -0.51 4.01 3.98 2yr5A1 GLY 682 HA3 0.01 0.05 0.66 -0.51 4.01 4.22 2yr5A1 ASP 683 H 0.00 0.46 -0.27 -0.55 8.40 8.04 2yr5A1 ASP 683 HA -0.01 0.01 0.57 -0.75 4.63 4.45 2yr5A1 ASP 683 HB2 0.00 0.13 0.07 -0.04 2.71 2.87 2yr5A1 ASP 683 HB3 -0.00 0.08 0.21 -0.04 2.70 2.95 2yr5A1 VAL 684 H -0.02 0.24 0.24 -0.55 8.24 8.16 2yr5A1 VAL 684 HA -0.03 0.12 0.26 -0.75 4.13 3.72 2yr5A1 VAL 684 HB -0.03 0.00 0.12 -0.04 2.12 2.18 2yr5A1 VAL 684 HG13 -0.03 0.05 0.01 -0.04 0.97 0.96 2yr5A1 VAL 684 HG23 -0.02 -0.00 -0.04 -0.04 0.95 0.85 2yr5A1 SER 685 H -0.02 0.04 -0.28 -0.55 8.46 7.65 2yr5A1 SER 685 HA -0.02 0.13 0.51 -0.75 4.49 4.35 2yr5A1 SER 685 HB2 -0.01 0.01 0.09 -0.04 3.95 3.99 2yr5A1 SER 685 HB3 -0.01 -0.06 0.07 -0.04 3.93 3.88 2yr5A1 ALA 686 H -0.03 0.37 -0.41 -0.55 8.40 7.79 2yr5A1 ALA 686 HA -0.03 0.05 0.56 -0.75 4.34 4.16 2yr5A1 ALA 686 HB3 -0.04 0.05 0.05 -0.04 1.41 1.43 2yr5A1 LEU 687 H -0.04 0.29 -0.27 -0.55 8.37 7.81 2yr5A1 LEU 687 HA -0.06 0.11 0.82 -0.75 4.35 4.46 2yr5A1 LEU 687 HB2 -0.05 0.11 0.08 -0.04 1.64 1.75 2yr5A1 LEU 687 HB3 -0.06 -0.04 -0.09 -0.04 1.64 1.42 2yr5A1 LEU 687 HG -0.07 -0.06 -0.07 -0.04 1.64 1.40 2yr5A1 LEU 687 HD13 -0.06 0.00 -0.08 -0.04 0.93 0.75 2yr5A1 LEU 687 HD23 -0.09 0.03 -0.06 -0.04 0.89 0.72 2yr5A1 SER 688 H -0.05 0.65 0.21 -0.55 8.46 8.72 2yr5A1 SER 688 HA -0.03 0.09 0.44 -0.75 4.49 4.23 2yr5A1 SER 688 HB2 -0.03 -0.11 0.08 -0.04 3.95 3.85 2yr5A1 SER 688 HB3 -0.04 0.25 -0.01 -0.04 3.93 4.09 2yr5A1 THR 689 H -0.03 0.15 0.15 -0.55 8.28 8.01 2yr5A1 THR 689 HA -0.03 0.11 0.39 -0.75 4.39 4.11 2yr5A1 THR 689 HB -0.02 -0.04 0.11 -0.04 4.32 4.33 2yr5A1 THR 689 HG23 -0.02 0.01 -0.09 -0.04 1.22 1.08 2yr5A1 GLU 690 H -0.03 0.06 -0.20 -0.55 8.60 7.89 2yr5A1 GLU 690 HA -0.04 0.09 0.40 -0.75 4.29 3.99 2yr5A1 GLU 690 HB2 -0.04 0.04 0.01 -0.04 2.09 2.05 2yr5A1 GLU 690 HB3 -0.04 0.05 -0.20 -0.04 1.99 1.75 2yr5A1 GLU 690 HG2 -0.02 0.06 -0.03 -0.04 2.34 2.31 2yr5A1 GLU 690 HG3 -0.02 0.01 -0.03 -0.04 2.34 2.25 2yr5A1 ALA 691 H -0.05 0.13 -0.35 -0.55 8.40 7.58 2yr5A1 ALA 691 HA -0.11 0.04 0.59 -0.75 4.34 4.10 2yr5A1 ALA 691 HB3 -0.08 0.05 0.10 -0.04 1.41 1.44 2yr5A1 ARG 692 H -0.05 0.48 -0.20 -0.55 8.46 8.13 2yr5A1 ARG 692 HA -0.05 -0.00 0.40 -0.75 4.34 3.94 2yr5A1 ARG 692 HB2 -0.04 0.21 0.02 -0.04 1.90 2.06 2yr5A1 ARG 692 HB3 -0.03 0.06 0.03 -0.04 1.80 1.82 2yr5A1 ARG 692 HG2 -0.03 -0.11 -0.13 -0.04 1.67 1.36 2yr5A1 ARG 692 HG3 -0.03 -0.01 0.07 -0.04 1.67 1.65 2yr5A1 ARG 692 HD2 -0.02 -0.04 -0.06 -0.04 3.22 3.06 2yr5A1 ARG 692 HD3 -0.02 -0.12 -0.11 -0.04 3.22 2.93 2yr5A1 PRO 693 HA -0.02 -0.04 0.35 -0.51 4.44 4.22 2yr5A1 PRO 693 HB2 -0.04 0.04 -0.24 -0.04 2.28 2.00 2yr5A1 PRO 693 HB3 -0.01 -0.00 -0.07 -0.04 2.02 1.90 2yr5A1 PRO 693 HG2 -0.03 0.12 -0.01 -0.04 2.03 2.07 2yr5A1 PRO 693 HG3 -0.02 -0.02 -0.03 -0.04 2.03 1.92 2yr5A1 PRO 693 HD2 -0.06 0.28 -0.49 -0.04 3.68 3.36 2yr5A1 PRO 693 HD3 -0.04 0.23 -0.05 -0.04 3.65 3.74 2yr5A1 LEU 694 H -0.10 0.56 -0.42 -0.55 8.37 7.87 2yr5A1 LEU 694 HA -0.11 -0.01 0.35 -0.75 4.35 3.82 2yr5A1 LEU 694 HB2 -0.10 0.14 0.01 -0.04 1.64 1.65 2yr5A1 LEU 694 HB3 -0.14 -0.07 -0.06 -0.04 1.64 1.33 2yr5A1 LEU 694 HG -0.26 0.05 0.04 -0.04 1.64 1.43 2yr5A1 LEU 694 HD13 -0.19 0.00 -0.07 -0.04 0.93 0.63 2yr5A1 LEU 694 HD23 -0.87 -0.03 -0.08 -0.04 0.89 -0.13 2yr5A1 VAL 695 H -0.03 0.38 -0.28 -0.55 8.24 7.77 2yr5A1 VAL 695 HA -0.03 0.12 0.76 -0.75 4.13 4.23 2yr5A1 VAL 695 HB -0.03 0.07 0.08 -0.04 2.12 2.20 2yr5A1 VAL 695 HG13 -0.07 -0.02 -0.16 -0.04 0.97 0.68 2yr5A1 VAL 695 HG23 0.02 -0.00 -0.24 -0.04 0.95 0.69 2yr5A1 ILE 696 H -0.02 0.49 0.16 -0.55 8.25 8.33 2yr5A1 ILE 696 HA -0.02 0.18 0.50 -0.75 4.18 4.08 2yr5A1 ILE 696 HB -0.01 -0.01 0.14 -0.04 1.89 1.97 2yr5A1 ILE 696 HG12 -0.02 0.12 -0.21 -0.04 1.49 1.34 2yr5A1 ILE 696 HG13 -0.01 0.02 -0.26 -0.04 1.21 0.92 2yr5A1 ILE 696 HG23 -0.02 0.00 0.00 -0.04 0.93 0.87 2yr5A1 ILE 696 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.74 2yr5A1 GLY 697 H 0.00 0.46 -0.26 -0.55 8.43 8.08 2yr5A1 GLY 697 HA2 0.02 0.04 0.50 -0.51 4.01 4.06 2yr5A1 GLY 697 HA3 0.03 -0.02 0.25 -0.51 4.01 3.76 2yr5A1 LEU 698 H 0.01 0.28 -0.50 -0.55 8.37 7.62 2yr5A1 LEU 698 HA 0.10 0.10 0.80 -0.75 4.35 4.60 2yr5A1 LEU 698 HB2 -0.03 0.10 -0.06 -0.04 1.64 1.61 2yr5A1 LEU 698 HB3 0.06 -0.01 0.02 -0.04 1.64 1.67 2yr5A1 LEU 698 HG 0.06 -0.01 -0.22 -0.04 1.64 1.43 2yr5A1 LEU 698 HD13 -0.11 -0.02 -0.00 -0.04 0.93 0.76 2yr5A1 LEU 698 HD23 0.27 -0.02 -0.03 -0.04 0.89 1.07 2yr5A1 ARG 699 H 0.09 0.07 0.09 -0.55 8.46 8.16 2yr5A1 ARG 699 HA 0.03 0.10 0.62 -0.75 4.34 4.34 2yr5A1 ARG 699 HB2 0.09 -0.06 0.08 -0.04 1.90 1.97 2yr5A1 ARG 699 HB3 0.05 0.06 -0.02 -0.04 1.80 1.85 2yr5A1 ARG 699 HG2 0.05 0.02 0.03 -0.04 1.67 1.73 2yr5A1 ARG 699 HG3 0.08 -0.00 0.04 -0.04 1.67 1.74 2yr5A1 ARG 699 HD2 0.06 0.01 0.02 -0.04 3.22 3.27 2yr5A1 ARG 699 HD3 0.09 -0.03 0.02 -0.04 3.22 3.26 2yr5A1 PRO 700 HA -0.04 0.05 0.36 -0.51 4.44 4.30 2yr5A1 PRO 700 HB2 -0.01 0.14 -0.04 -0.04 2.28 2.33 2yr5A1 PRO 700 HB3 -0.02 0.04 0.11 -0.04 2.02 2.10 2yr5A1 PRO 700 HG2 0.01 -0.03 0.04 -0.04 2.03 2.00 2yr5A1 PRO 700 HG3 -0.00 0.01 0.10 -0.04 2.03 2.10 2yr5A1 PRO 700 HD2 0.02 -0.02 0.22 -0.04 3.68 3.85 2yr5A1 PRO 700 HD3 0.00 0.25 0.25 -0.04 3.65 4.10 2yr5A1 VAL 701 H -0.03 0.13 0.05 -0.55 8.24 7.83 2yr5A1 VAL 701 HA 0.03 0.13 0.53 -0.75 4.13 4.06 2yr5A1 VAL 701 HB 0.06 -0.06 -0.04 -0.04 2.12 2.04 2yr5A1 VAL 701 HG13 0.07 0.00 -0.12 -0.04 0.97 0.88 2yr5A1 VAL 701 HG23 -0.02 0.00 -0.11 -0.04 0.95 0.78 2yr5A1 VAL 702 H -0.00 0.13 -0.20 -0.55 8.24 7.62 2yr5A1 VAL 702 HA 0.02 0.06 0.57 -0.75 4.13 4.02 2yr5A1 VAL 702 HB 0.01 0.00 0.06 -0.04 2.12 2.14 2yr5A1 VAL 702 HG13 0.01 -0.03 -0.18 -0.04 0.97 0.73 2yr5A1 VAL 702 HG23 0.02 0.02 0.04 -0.04 0.95 0.98 2yr5A1 LYS 703 H 0.01 0.11 0.02 -0.55 8.42 8.01 2yr5A1 LYS 703 HA 0.01 0.16 0.67 -0.75 4.32 4.40 2yr5A1 LYS 703 HB2 0.01 -0.07 0.06 -0.04 1.87 1.84 2yr5A1 LYS 703 HB3 0.01 -0.04 -0.18 -0.04 1.79 1.54 2yr5A1 LYS 703 HG2 0.01 0.01 0.01 -0.04 1.46 1.45 2yr5A1 LYS 703 HG3 0.02 0.07 -0.02 -0.04 1.46 1.49 2yr5A1 LYS 703 HD2 0.01 0.00 -0.01 -0.04 1.69 1.65 2yr5A1 LYS 703 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 2yr5A1 LYS 703 HE2 0.01 0.01 -0.02 -0.04 2.99 2.94 2yr5A1 LYS 703 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2yr5A1 VAL 704 H 0.01 0.21 0.01 -0.55 8.24 7.92 2yr5A1 VAL 704 HA 0.00 0.04 0.65 -0.75 4.13 4.07 2yr5A1 VAL 704 HB 0.01 -0.03 0.07 -0.04 2.12 2.13 2yr5A1 VAL 704 HG13 0.00 0.00 0.00 -0.04 0.97 0.94 2yr5A1 VAL 704 HG23 0.01 -0.00 -0.13 -0.04 0.95 0.79 2yr5A1 PRO 705 HA 0.00 -0.01 0.38 -0.51 4.44 4.30 2yr5A1 PRO 705 HB2 0.00 0.25 0.00 -0.04 2.28 2.49 2yr5A1 PRO 705 HB3 0.00 -0.03 0.13 -0.04 2.02 2.08 2yr5A1 PRO 705 HG2 0.00 0.06 0.08 -0.04 2.03 2.13 2yr5A1 PRO 705 HG3 -0.00 -0.06 0.09 -0.04 2.03 2.01 2yr5A1 PRO 705 HD2 0.00 0.18 0.38 -0.04 3.68 4.20 2yr5A1 PRO 705 HD3 -0.00 0.02 0.21 -0.04 3.65 3.84 2yr5A1 ALA 706 H 0.00 0.01 0.13 -0.55 8.40 8.00 2yr5A1 ALA 706 HA 0.00 0.21 0.44 -0.75 4.34 4.24 2yr5A1 ALA 706 HB3 0.00 -0.01 0.10 -0.04 1.41 1.46 2yr5A1 ALA 707 H -0.00 0.21 0.07 -0.55 8.40 8.13 2yr5A1 ALA 707 HA -0.00 -0.01 0.24 -0.75 4.34 3.81 2yr5A1 ALA 707 HB3 -0.00 0.07 0.17 -0.04 1.41 1.61