NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3059 8.1227 123.5821 52.1150 21.0648 178.4428 4 L 3.7348 8.0588 117.1450 57.9290 41.7844 177.1984 5 A 4.0192 8.3303 121.7418 56.0047 18.7636 179.3741 6 E 3.9466 8.1063 116.1446 61.2951 29.7476 180.7167 7 L 4.1604 8.3511 121.8654 57.7221 42.0103 178.8733 8 L 3.9039 7.8816 120.2436 58.2943 42.0056 178.7689 9 S 4.1988 8.0510 114.9507 62.0112 62.8064 176.1195 10 D 4.5471 8.0332 120.9877 58.3252 40.6199 179.5013 11 T 3.9304 8.6144 115.8602 67.1291 68.4606 176.9129 12 T 3.9890 8.7186 120.7593 67.0342 68.3995 177.3982 13 E 4.0510 9.1727 123.6374 61.6700 29.6452 182.0506 14 R 4.1664 8.3609 122.7490 61.5031 29.4202 180.7608 15 Q 4.2303 8.4677 119.0721 59.1028 28.4722 178.5157 16 Q 3.9761 8.3434 119.7953 58.3488 28.6337 178.3996 17 A 4.0605 8.0765 122.0906 55.4271 18.4866 179.8229 18 L 3.9985 7.7674 117.0844 57.6684 41.6771 179.5784 19 A 4.1731 8.2844 120.8472 54.6581 18.3093 179.1293 20 D 4.5197 7.7346 116.1091 56.7850 41.2891 178.6402 21 E 3.9314 8.1846 120.0614 59.1511 29.7816 179.0383 22 V 3.6864 8.3092 118.9326 65.9230 31.6216 178.1049 23 G 3.7235 8.4896 106.1544 47.9738 0.0000 175.7826 24 S 4.1791 8.2569 116.7542 61.0943 63.1433 176.1592 25 E 3.9599 8.1713 122.6630 58.7277 29.1934 179.1272 26 V 3.5955 7.6265 118.1490 66.3795 31.7019 178.3106 27 T 4.4242 7.6230 116.9351 65.8876 68.2235 177.0978 28 G 3.5607 8.2136 107.9074 47.8559 0.0000 175.8355 29 S 4.1312 8.1318 116.0131 61.0511 62.4063 176.2530 30 L 4.0026 8.3130 122.1077 57.7899 41.2373 179.2246 31 D 4.4590 8.5300 119.2220 57.2591 40.7386 178.4781 32 D 4.3094 8.2229 119.5237 57.2164 40.7656 178.4446 33 L 3.9310 7.9801 120.7098 58.2928 41.9918 179.0349 34 I 3.7523 7.9338 119.6517 64.4693 37.0005 178.5978 35 V 3.8503 8.0650 119.0960 66.2284 31.4045 177.8413 36 N 4.3432 8.7057 116.5761 56.3220 38.4940 177.4911 37 L 4.0436 8.3185 120.8013 57.7416 41.6884 179.7318 38 V 3.5980 8.2072 118.6102 66.0065 30.9009 178.2986 39 S 4.2003 8.3379 115.2635 61.7643 62.4491 176.7154 40 Q 4.3026 7.9305 121.1401 58.4131 28.5030 178.3395 41 Q 4.2284 7.9367 117.3574 56.5003 29.2824 176.4990 42 W 4.2658 7.5443 130.1221 57.3272 31.1806 175.4728 43 R 4.1451 7.9841 124.5541 53.7700 30.5115 175.7162 44 R 2.6675 7.2585 120.2893 54.6420 30.2382 174.9263 45 P 4.6008 0.0000 0.0000 60.9696 32.8425 175.1497 46 P 4.2632 0.0000 0.0000 65.3614 31.2889 177.7328 47 S 4.3842 7.9662 110.1039 58.5259 63.7039 174.3113 48 A 4.0744 7.7926 125.2314 52.6632 18.6354 177.1083 49 R 4.6839 7.8656 119.4603 53.8987 34.3321 174.9600 50 N 4.6894 8.0718 117.2691 54.7187 39.2665 175.6530 51 G 3.9851 8.4364 110.2944 45.9525 0.0000 174.1182 *53 S 4.7279 7.8674 113.6237 58.1228 65.1799 174.6274 54 V 4.8738 9.1128 124.1887 59.8405 34.2987 174.0205 55 E 4.8212 8.9796 125.8403 54.9473 31.3663 174.6640 56 V 4.8227 8.6674 126.6130 60.9870 35.0067 173.7936 57 L 4.8306 9.1388 130.4466 54.1627 43.4488 174.9631 58 I 4.8641 8.7327 128.3795 60.0469 39.0741 174.9793 59 E 5.5759 8.8041 125.8742 53.7661 33.0509 175.3964 *61 L 4.4655 8.1745 120.3617 53.9409 42.8872 176.4558 62 P 2.9700 0.0000 0.0000 65.0007 31.2467 177.4117 63 D 4.3278 7.7862 115.8465 53.8412 39.9177 177.5734 64 G 4.1701 8.4094 109.4784 46.5502 0.0000 173.8042 65 T 4.3133 7.9150 117.2986 63.5823 68.8568 173.8990 66 I 4.3258 8.4155 128.1599 61.0971 37.6825 175.7881 67 T 4.5476 8.5565 115.4521 61.7749 70.1556 173.5919 68 N 4.7214 7.9435 118.7846 53.3871 42.4814 172.6416 69 A 5.3406 8.4376 123.3653 50.9553 22.3620 175.6726 70 S 4.6423 9.0199 115.7279 56.5709 67.3000 173.4895 71 V 4.1863 8.3530 121.6378 63.2930 31.0650 175.5922 72 S 4.5475 9.2675 123.6856 59.8187 64.7334 174.7915 73 R 4.5313 7.6285 120.6346 54.2466 32.9104 174.7511 74 S 4.6450 8.8359 121.5447 58.1657 63.0500 174.2405 75 S 4.7779 8.7721 120.6199 59.3624 63.0511 175.5079 76 G 3.9085 8.8444 110.0945 45.1683 0.0000 173.1653 77 D 4.8249 8.2425 119.0629 51.8612 43.3333 175.8394 78 K 4.0111 8.6468 128.8808 59.0998 32.2722 176.7491 79 P 4.2702 0.0000 0.0000 65.3791 31.3268 178.3123 80 F 4.5702 8.7348 120.9226 60.8963 39.3904 176.6454 81 D 4.0845 8.1724 118.4905 57.7541 40.6240 179.3230 82 S 4.1495 8.3380 115.7734 61.5035 62.2570 176.9476 83 S 4.1467 8.4028 117.1347 61.2463 62.6958 176.5473 84 A 3.7595 7.9159 124.5005 54.7718 18.0977 179.7037 85 V 3.4609 7.6481 116.5672 66.1531 31.5746 178.1663 86 A 3.9995 8.2696 120.4307 54.9988 17.9571 179.4965 87 A 3.9440 7.7865 118.5668 55.1588 18.7764 179.6485 88 V 3.6135 7.7812 116.7489 66.4356 31.5438 178.2935 89 R 3.9579 8.0473 117.5361 59.6029 29.7447 178.7283 90 N 4.4948 8.2012 114.7068 55.5958 38.5428 177.2466 91 V 3.7422 7.4261 119.7222 63.9681 31.8046 176.4093 92 G 4.3704 9.8478 113.0617 44.6535 0.0000 173.0025 93 R 5.1462 7.1562 114.3587 54.6099 32.3306 175.0160 94 I 4.6681 8.5952 120.4790 58.5689 37.3459 174.4901 95 P 4.5397 0.0000 0.0000 64.4154 32.3534 177.4579 96 E 3.9999 8.0201 121.7394 56.5281 28.6070 177.9835 *98 Q 4.2210 7.7430 115.2636 55.5809 31.0388 176.9143 99 Q 4.1763 7.9698 116.3533 57.0679 29.1789 176.2452 100 L 4.4231 7.5360 118.0273 53.0561 42.9927 175.4858 101 P 4.4330 0.0000 0.0000 62.5358 33.2623 177.8574 102 R 4.0071 8.6331 120.1586 59.6207 30.0735 178.8946 103 A 4.0680 8.0052 120.2281 55.0999 18.4250 179.6812 104 T 3.8407 7.9069 114.0367 66.7058 68.6860 176.0716 105 F 4.1379 8.3364 122.6272 61.9791 39.1062 177.1034 106 D 4.4663 8.3587 116.8517 57.2705 40.6363 178.4802 107 S 4.2362 7.6808 112.5351 60.3411 62.5629 175.1581 108 L 4.3423 7.8694 119.4292 54.8019 43.3536 176.7062 109 Y 4.3554 7.9097 113.9573 57.1730 40.2926 177.5546 110 R 3.6115 7.0670 120.1749 58.5633 30.3345 175.7775 111 Q 4.8542 7.5685 115.4902 54.0921 32.1501 174.8753 112 R 4.4424 9.2288 124.6576 54.5038 33.7853 173.7701 113 R 4.9366 8.5256 125.0046 54.9370 31.5529 175.6668 114 I 4.3684 8.4693 124.7059 59.3251 40.6790 174.5906 115 I 4.4871 7.9199 126.5693 60.2023 38.3616 175.0438 116 F 5.0659 9.3866 125.7951 55.6208 41.9504 174.7551 117 K 4.9311 8.4535 120.5664 53.6641 35.5279 175.5032 118 P 3.5464 0.0000 0.0000 65.5507 31.2335 178.9427 119 E 3.9664 7.9278 115.8891 59.4076 29.6605 178.7846 120 D 4.3873 7.9274 119.4039 56.9597 40.8241 178.4261 121 L 4.4562 7.7160 120.4556 57.2556 41.7332 179.2433 122 S 4.4324 8.2388 113.2566 61.1904 62.1560 175.6095 123 L 3.9442 7.9344 122.3968 58.2949 41.7795 177.9996 124 H 4.8453 7.6091 112.1417 56.0633 28.7415 176.0715 125 H 4.5604 8.0855 125.1733 58.1401 29.7245 175.4586 126 H 4.2981 7.5414 116.2646 56.0448 29.2679 174.3884 127 H 4.6501 9.2439 119.0935 55.2924 29.9986 175.3633 128 H 4.3028 8.9660 118.2760 55.6291 28.8719 175.1292 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 3 A 8.12 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.06 3.73 0.00 1.84 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.33 4.02 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 6 E 8.11 3.95 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 7 L 8.35 4.16 0.00 1.71 1.86 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.88 3.90 0.00 1.96 1.87 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.05 4.20 0.00 3.92 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 10 D 8.03 4.55 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.61 3.93 4.43 0.00 0.00 0.00 0.00 0.00 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 12 T 8.72 3.99 4.39 0.00 0.00 0.00 0.00 0.00 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 E 9.17 4.05 0.00 1.93 1.96 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 2.24 2.20 0.00 14 R 8.36 4.17 0.00 1.77 1.98 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 15 Q 8.47 4.23 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 16 Q 8.34 3.98 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 17 A 8.08 4.06 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 18 L 7.77 4.00 0.00 1.65 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.28 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.52 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.18 3.93 0.00 2.10 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 2.31 2.36 0.00 22 V 8.31 3.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 23 G 8.49 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 24 S 8.26 4.18 0.00 4.08 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 0.00 25 E 8.17 3.96 0.00 2.19 2.17 0.00 0.00 0.00 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 2.32 0.00 26 V 7.63 3.60 2.27 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 1.09 0.00 0.00 0.98 0.00 0.00 27 T 7.62 4.42 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 28 G 8.21 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.13 4.13 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.31 4.00 0.00 1.72 1.42 0.61 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 31 D 8.53 4.46 0.00 2.76 2.72 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 32 D 8.22 4.31 0.00 2.89 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 33 L 7.98 3.93 0.00 1.76 1.84 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.93 3.75 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 1.10 0.00 0.00 35 V 8.07 3.85 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.96 0.00 0.00 36 N 8.71 4.34 0.00 2.74 2.85 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.32 4.04 0.00 1.71 1.74 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.21 3.60 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 0.42 0.00 0.00 0.99 0.00 0.00 39 S 8.34 4.20 0.00 4.21 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.93 4.30 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 1.93 2.15 0.00 41 Q 7.94 4.23 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 42 W 7.54 4.27 0.00 3.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.98 4.15 0.00 1.64 1.68 0.00 3.24 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 44 R 7.26 2.67 0.00 1.12 0.66 0.00 2.87 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.30 0.00 45 P 0.00 4.60 0.00 2.27 2.21 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 46 P 0.00 4.26 0.00 2.05 2.14 0.00 3.65 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 2.01 2.05 0.00 47 S 7.97 4.38 0.00 4.13 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 48 A 7.79 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.68 0.00 1.69 1.74 0.00 3.39 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 50 N 8.07 4.69 0.00 2.67 2.75 0.00 0.00 7.55 7.65 0.00 0.00 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 G 8.44 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.73 0.00 3.86 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 9.11 4.87 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 0.61 0.00 0.00 0.92 0.00 0.00 55 E 8.98 4.82 0.00 2.05 1.91 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 2.20 2.16 0.00 56 V 8.67 4.82 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.06 0.00 0.00 57 L 9.14 4.83 0.00 1.74 1.53 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.73 4.86 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.99 0.00 0.00 59 E 8.80 5.58 0.00 2.01 1.85 0.00 0.00 0.00 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 2.10 0.00 *61 L 8.17 4.47 0.00 1.88 1.60 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 2.97 0.00 1.76 1.67 0.00 3.58 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 1.92 1.91 0.00 63 D 7.79 4.33 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.91 4.31 4.25 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 1.22 0.00 0.00 66 I 8.42 4.33 2.02 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 1.42 0.54 0.95 0.00 0.00 67 T 8.56 4.55 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 1.25 0.00 0.00 68 N 7.94 4.72 0.00 2.83 2.65 0.00 0.00 6.86 7.70 0.00 0.00 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 A 8.44 5.34 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.02 4.64 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.35 4.19 2.08 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 0.84 0.00 0.00 0.91 0.00 0.00 72 S 9.27 4.55 0.00 3.84 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 73 R 7.63 4.53 0.00 1.84 1.76 0.00 3.18 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 74 S 8.84 4.64 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.78 0.00 4.24 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.84 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 0.00 0.00 0.00 77 D 8.24 4.82 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.65 4.01 0.00 1.89 1.82 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 79 P 0.00 4.27 0.00 2.28 2.12 0.00 4.02 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 2.15 2.17 0.00 80 F 8.73 4.57 0.00 3.20 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.08 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.34 4.15 0.00 3.99 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 83 S 8.40 4.15 0.00 4.27 4.34 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.76 0.95 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 85 V 7.65 3.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 86 A 8.27 4.00 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 87 A 7.79 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.78 3.61 2.19 0.00 0.00 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 0.88 0.00 0.00 89 R 8.05 3.96 0.00 1.88 1.99 0.00 3.36 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 90 N 8.20 4.49 0.00 2.93 3.09 0.00 0.00 7.00 7.20 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 91 V 7.43 3.74 2.27 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 0.84 0.00 0.00 1.04 0.00 0.00 92 G 9.85 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 0.00 0.00 0.00 0.00 93 R 7.16 5.15 0.00 1.89 1.87 0.00 2.98 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 94 I 8.60 4.67 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.98 0.00 0.00 95 P 0.00 4.54 0.00 2.15 2.17 0.00 3.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 96 E 8.02 4.00 0.00 2.06 1.95 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 2.39 2.40 0.00 *98 Q 7.74 4.22 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.07 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 99 Q 7.97 4.18 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 100 L 7.54 4.42 0.00 1.74 1.70 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.43 0.00 2.20 2.00 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 102 R 8.63 4.01 0.00 1.94 1.97 0.00 3.36 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 103 A 8.01 4.07 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 0.00 104 T 7.91 3.84 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 105 F 8.34 4.14 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.36 4.47 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.68 4.24 0.00 3.85 4.06 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 0.00 108 L 7.87 4.34 0.00 1.77 1.15 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.91 4.36 0.00 2.66 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.07 3.61 0.00 1.45 1.74 0.00 3.15 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 111 Q 7.57 4.85 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 112 R 9.23 4.44 0.00 1.64 1.64 0.00 2.21 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.28 0.00 113 R 8.53 4.94 0.00 1.64 1.90 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 114 I 8.47 4.37 1.51 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.18 0.00 0.00 115 I 7.92 4.49 1.73 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 1.27 0.40 0.87 0.00 0.00 116 F 9.39 5.07 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.45 4.93 0.00 1.63 1.77 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 118 P 0.00 3.55 0.00 1.96 2.03 0.00 3.33 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.44 0.00 119 E 7.93 3.97 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 120 D 7.93 4.39 0.00 2.82 2.78 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 0.00 121 L 7.72 4.46 0.00 0.59 0.98 -0.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.24 4.43 0.00 4.13 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 0.00 123 L 7.93 3.94 0.00 1.77 1.84 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.61 4.85 0.00 3.21 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.09 4.56 0.00 3.58 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 H 7.54 4.30 0.00 3.25 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 9.24 4.65 0.00 3.14 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.97 4.30 0.00 3.27 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.