NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5523 8.2893 120.3502 55.7394 33.0719 175.7174 2 T 4.2302 8.4680 118.1185 59.2369 72.0189 173.8847 3 K 3.8476 8.2916 120.9085 59.8032 32.4522 179.5339 4 S 4.1268 8.0675 113.8153 61.7446 62.6519 176.1059 5 E 4.0798 7.9939 121.9531 58.9372 29.1870 178.9812 6 L 3.9311 8.2903 120.7217 58.2419 42.0007 179.2237 7 I 3.6805 7.7595 119.5938 64.3046 36.9822 178.1273 8 E 3.9367 8.3406 119.5479 59.6722 29.2353 179.6003 9 R 3.9151 8.1970 118.0955 59.2456 30.0823 179.2050 10 L 3.9116 7.9774 118.3432 57.7037 41.4784 179.0350 11 A 3.9627 7.8497 119.3794 55.7152 18.3492 179.1841 12 T 3.9878 7.7994 112.6440 67.3943 68.7177 176.5482 13 Q 4.1640 7.7929 117.5695 57.4991 30.2370 177.6963 14 Q 4.5584 7.8669 121.3521 53.8812 25.5038 176.1930 15 S 4.1237 7.9648 116.2358 61.6922 63.4347 176.4565 16 H 4.3911 8.2145 114.2270 56.7117 28.7976 174.8064 17 I 4.2978 7.3488 122.2916 58.6247 38.6478 174.3199 18 P 4.2401 0.0000 0.0000 62.6854 32.5831 176.8700 19 A 3.9702 8.7637 124.3364 55.4910 18.1705 179.7386 20 K 3.8559 8.0006 117.2675 59.9018 32.2397 179.0046 21 T 3.8219 7.7066 115.5399 66.5011 68.3694 176.5338 22 V 3.5315 7.8377 120.1402 65.9249 31.5593 177.4312 23 E 3.8838 8.2601 118.9547 59.6210 29.4381 178.4224 24 D 4.3513 8.3290 118.6693 57.3058 40.8855 178.8478 25 A 3.9188 8.3512 121.4469 55.1164 18.3702 179.6469 26 V 3.4549 7.9371 116.9285 66.1838 31.5361 178.1261 27 K 3.8576 8.0165 117.9418 59.7411 31.8656 179.1120 28 E 3.9390 8.5199 118.9458 59.6190 29.3653 179.3698 29 M 4.0460 8.5961 118.9696 58.4049 32.0223 178.8618 30 L 3.8985 8.1000 119.2916 57.7497 41.7749 179.1700 31 E 3.9346 8.3522 119.4116 59.3900 29.5283 178.3162 32 H 4.1829 8.4639 118.5160 59.5366 29.9342 177.1346 33 M 3.8783 8.0670 120.1516 58.2459 31.6784 178.3748 34 A 3.8652 8.2613 121.4256 55.3714 18.5995 179.7741 35 S 4.0389 8.4820 112.7919 61.7997 63.0127 176.6850 36 T 3.8135 7.9694 119.1807 66.6298 68.1804 176.4769 37 L 4.2397 8.1288 121.7742 57.2604 41.4181 179.4928 38 A 4.0314 8.0652 119.9467 54.7434 18.3525 178.7069 39 Q 4.2952 7.8059 114.3827 55.7998 29.0659 176.8730 40 G 3.7793 8.1196 108.8155 45.4273 0.0000 173.0301 41 E 4.5390 7.7904 120.2503 54.1578 31.2251 175.5600 42 R 4.6993 8.2368 121.1211 55.6826 31.6779 175.2085 43 I 4.6381 8.8137 119.9254 59.5488 40.5090 174.7993 44 E 4.7714 8.9371 126.5608 54.8540 31.9896 174.7077 45 I 4.4365 8.9903 129.9641 59.1120 38.9056 175.7115 46 R 4.0731 8.5898 126.6292 58.0409 29.9381 177.6167 47 G 4.0670 9.3898 111.6738 45.0831 0.0000 173.6027 48 F 4.3032 9.5945 119.0669 59.1457 41.4790 175.5300 49 G 3.8086 7.0589 106.7557 44.4638 0.0000 170.8326 50 S 5.2981 7.7288 113.3435 56.5050 66.8154 173.0747 51 F 5.4648 9.5593 120.8015 55.9912 41.7495 174.7168 52 S 5.3587 9.4185 118.0228 56.5671 67.0283 172.2578 53 L 5.3824 8.6145 118.7399 53.4122 43.9296 176.0176 54 H 5.1988 9.6046 120.8013 54.2117 31.6195 172.9725 55 Y 4.3989 8.7318 123.6398 56.9870 40.1075 174.6370 56 R 4.3275 7.5418 124.1235 53.7929 33.1892 175.1676 57 A 4.2668 8.2995 126.1467 50.8210 19.2687 175.2197 58 P 4.5549 0.0000 0.0000 63.3781 32.2313 175.5416 59 R 4.5214 8.5177 116.5270 55.8670 33.3960 174.2658 60 T 4.5883 8.5177 117.4153 62.7988 68.6576 174.7464 61 G 4.1117 8.6232 116.0425 45.0065 0.0000 170.6730 62 R 5.2096 8.2058 116.8543 54.2070 34.4352 175.1312 63 N 4.6939 9.0436 121.7448 52.0719 39.1235 174.1849 64 P 4.3099 0.0000 0.0000 65.2767 31.5926 177.4463 65 K 4.1547 8.5111 120.1390 58.1761 32.4112 177.3025 66 T 4.2715 8.2463 106.9536 61.0524 70.1102 175.5159 67 G 3.9965 8.5057 110.4772 44.8507 0.0000 173.4749 68 D 4.5493 7.6608 119.4623 54.4089 41.8560 176.5842 69 K 4.8097 8.5591 121.2744 56.6125 33.4479 176.8300 70 V 4.4742 8.7607 121.7051 60.3115 35.0539 173.8338 71 E 4.5910 8.9014 124.3987 55.8162 30.2998 175.6422 72 L 4.6874 8.7646 125.9186 52.8653 43.8038 176.5524 73 E 4.3788 8.8089 123.1961 55.8790 30.3655 177.0730 74 G 3.7893 8.5547 109.3189 46.8252 0.0000 172.4488 75 K 4.5262 7.9834 119.6054 56.5313 36.4618 173.1808 76 Y 5.2683 8.6126 116.9408 56.4095 40.7102 176.0892 77 V 4.6689 8.9825 115.8935 58.9220 35.8165 173.4729 78 P 5.0404 0.0000 0.0000 62.9034 32.4432 175.3340 79 H 4.9044 9.5376 122.8151 54.5432 33.1543 171.5527 80 F 4.9652 8.7291 127.7324 56.3564 41.3420 174.7151 81 K 3.9546 7.6051 126.5415 53.4410 34.5567 173.3908 82 P 3.9405 0.0000 0.0000 62.6165 31.9056 177.0187 83 G 3.7177 8.6554 112.0542 45.2839 0.0000 174.4466 84 K 3.8353 8.8836 120.4597 59.7210 31.8322 177.9849 85 E 3.8962 8.1535 118.5117 59.3109 29.5426 178.4092 86 L 3.9161 7.4091 119.8422 58.0906 42.0575 178.9784 87 R 3.8485 8.2653 118.3496 59.4336 29.8440 178.6353 88 D 4.3506 8.0495 117.2500 57.7193 40.9720 179.0517 89 R 4.0520 8.1052 117.0322 58.9457 30.0475 178.8358 90 A 4.3365 7.9561 120.1240 53.9842 18.6248 176.9449 91 N 4.2481 8.1012 117.9550 54.0625 38.6195 174.4158 92 I 3.9648 8.3596 122.7166 63.4759 38.5403 176.8165 *93 Y 4.3199 7.7629 118.5136 55.3087 37.8189 179.5657 94 G 3.9492 8.6454 108.9861 46.3335 0.0000 173.4795 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.55 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 8.47 4.23 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 K 8.29 3.85 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 4 S 8.07 4.13 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.99 4.08 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 6 L 8.29 3.93 0.00 1.78 2.02 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.76 3.68 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.90 0.00 0.00 8 E 8.34 3.94 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 9 R 8.20 3.92 0.00 1.96 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 10 L 7.98 3.91 0.00 1.86 1.69 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.85 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.80 3.99 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 13 Q 7.79 4.16 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.50 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 14 Q 7.87 4.56 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 15 S 7.96 4.12 0.00 3.98 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.21 4.39 0.00 3.26 3.47 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.35 4.30 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.14 0.86 0.00 0.00 18 P 0.00 4.24 0.00 2.13 1.98 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 19 A 8.76 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.00 3.86 0.00 1.87 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.58 7.81 21 T 7.71 3.82 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 22 V 7.84 3.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.93 0.00 0.00 23 E 8.26 3.88 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 24 D 8.33 4.35 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.35 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.94 3.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.92 0.00 0.00 27 K 8.02 3.86 0.00 2.05 1.83 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 28 E 8.52 3.94 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 29 M 8.60 4.05 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.56 0.00 30 L 8.10 3.90 0.00 1.63 1.65 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.35 3.93 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 32 H 8.46 4.18 0.00 3.33 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.07 3.88 0.00 1.81 2.06 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.41 0.00 34 A 8.26 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.48 4.04 0.00 4.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.97 3.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 L 8.13 4.24 0.00 1.83 1.72 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.07 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.81 4.30 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 5.88 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 40 G 8.12 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.79 4.54 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 42 R 8.24 4.70 0.00 2.09 1.98 0.00 3.06 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 43 I 8.81 4.64 2.24 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.85 1.08 0.00 0.00 44 E 8.94 4.77 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 45 I 8.99 4.44 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.97 0.00 0.00 46 R 8.59 4.07 0.00 1.83 1.93 0.00 3.36 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 47 G 9.39 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 9.59 4.30 0.00 3.17 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.73 5.30 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.56 5.46 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.42 5.36 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.61 5.38 0.00 1.55 1.77 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.60 5.20 0.00 3.09 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.73 4.40 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.54 4.33 0.00 1.34 1.53 0.00 3.25 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 57 A 8.30 4.27 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.55 0.00 2.08 2.12 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 59 R 8.52 4.52 0.00 1.87 1.98 0.00 2.73 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 60 T 8.52 4.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 61 G 8.62 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.21 5.21 0.00 1.64 1.78 0.00 3.50 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 63 N 9.04 4.69 0.00 2.75 2.70 0.00 0.00 7.10 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.31 0.00 2.21 2.18 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 65 K 8.51 4.15 0.00 1.73 2.03 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.37 7.81 66 T 8.25 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 67 G 8.51 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.66 4.55 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.56 4.81 0.00 1.64 1.73 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81 70 V 8.76 4.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 71 E 8.90 4.59 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 L 8.76 4.69 0.00 1.66 1.53 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.81 4.38 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 74 G 8.55 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.98 4.53 0.00 1.77 1.85 0.00 1.24 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.13 1.23 7.81 76 Y 8.61 5.27 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.98 4.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.05 0.00 0.00 78 P 0.00 5.04 0.00 2.05 2.09 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 79 H 9.54 4.90 0.00 2.90 2.88 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.73 4.97 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.61 3.95 0.00 1.59 1.30 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.07 1.21 7.81 82 P 0.00 3.94 0.00 1.74 1.77 0.00 3.38 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 83 G 8.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.88 3.84 0.00 1.80 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.51 7.81 85 E 8.15 3.90 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 86 L 7.41 3.92 0.00 1.60 1.68 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.27 3.85 0.00 1.98 1.92 0.00 3.13 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 88 D 8.05 4.35 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.11 4.05 0.00 1.82 2.01 0.00 3.25 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 90 A 7.96 4.34 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.10 4.25 0.00 2.73 2.78 0.00 0.00 7.44 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.36 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.91 0.00 0.00 *93 Y 7.76 4.32 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.65 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.