NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3468 8.3444 121.7486 55.9711 30.2672 173.6771 3 V 4.4922 8.2109 123.3442 60.9849 33.8792 173.7193 4 R 4.6018 10.0149 127.2319 54.5406 33.6817 173.9648 5 Q 4.3585 8.7146 123.9827 55.6218 29.1200 175.3043 6 S 4.0932 8.8716 121.7845 59.7680 61.9751 171.8148 7 P 4.2829 0.0000 0.0000 62.6757 31.4466 175.9647 8 Q 4.1532 8.6726 122.7015 59.2631 28.4353 177.4234 9 S 4.7866 7.5260 109.8140 56.8007 65.6650 173.4814 10 L 4.7048 9.4456 127.8184 53.9262 45.5593 174.6297 11 T 5.0066 8.4894 122.1644 61.8221 71.4794 173.4709 12 V 4.2767 9.0290 124.8424 60.8034 36.1188 173.7719 13 W 5.0026 8.9118 126.4190 56.4703 29.9389 175.3376 14 E 3.9455 8.8789 125.5948 57.4905 30.1710 176.4268 15 G 4.0669 8.9576 112.6241 45.5001 0.0000 173.3416 16 E 4.7245 7.9071 118.3947 56.2814 32.0821 175.7696 17 T 4.9061 8.3513 116.6221 62.1782 70.5031 173.9107 18 A 4.1896 8.6777 130.1232 51.3892 19.6401 176.4086 19 I 4.5561 8.2127 123.4517 60.3415 39.6654 176.1858 20 L 4.5721 8.4227 124.5455 53.6197 45.1224 175.5877 21 N 5.1906 8.8746 121.8209 53.4977 40.4396 174.8930 22 C 5.4529 9.6992 120.5442 55.8970 45.1718 172.7132 23 S 5.2608 8.8541 117.2551 58.1254 66.4002 172.2755 24 Y 5.3307 7.4966 116.9953 56.0685 41.1346 173.5838 25 E 4.7379 9.0101 116.0611 56.3299 30.2793 175.9267 26 N 4.8087 8.7126 119.6621 51.8506 38.9365 174.1822 27 S 4.2900 8.7179 118.6477 60.4784 63.2477 176.0289 28 A 4.2131 7.7216 122.6945 53.1361 18.7461 177.0941 29 F 4.9180 7.9940 116.2669 57.5199 39.5137 174.9021 30 D 5.2701 9.0580 122.0251 51.3713 41.8689 174.2172 31 Y 5.1426 7.5463 120.9971 55.9261 41.8367 174.3468 32 F 5.6628 9.1266 125.0222 53.6794 40.3053 171.5365 33 P 4.4567 0.0000 0.0000 61.8495 33.4578 175.3642 34 W 5.2458 8.7868 122.1987 55.3837 31.6851 174.4830 35 Y 5.2434 9.5987 122.6406 56.4200 40.6420 174.3306 36 Q 5.1797 9.9561 124.1612 54.4087 32.1112 174.0100 37 Q 4.5900 8.6053 126.9346 54.3146 32.4539 173.4738 38 F 5.3200 8.4741 125.2305 55.2214 41.1693 173.3219 39 P 4.1726 0.0000 0.0000 64.1549 31.4429 174.9662 40 G 4.1078 9.2774 110.1875 44.9202 0.0000 172.9740 41 E 4.6665 7.9217 117.5047 54.0537 31.9904 175.5737 42 G 3.9776 8.2409 108.1473 45.1672 0.0000 171.4955 43 P 5.0163 0.0000 0.0000 62.3877 32.1578 176.2241 44 A 4.9067 9.0530 122.8868 49.8185 22.8018 175.4594 45 L 3.3994 8.6956 123.6721 55.6365 42.2093 175.6300 46 L 4.3307 8.7100 128.2496 55.8367 43.5920 176.3091 47 I 4.2559 7.0019 114.8609 60.1039 41.1158 172.6108 48 S 5.3537 8.8638 123.0064 56.7572 66.3185 172.6604 49 I 4.7721 8.1508 117.9440 59.6483 41.9762 173.3565 50 L 5.3936 8.3397 126.0825 52.6935 44.1872 177.5029 51 S 3.1438 9.1739 117.6128 60.2166 63.1385 176.7619 52 V 3.5872 7.9764 121.1939 65.4204 31.5501 176.1524 53 S 4.7586 7.7432 112.6703 56.9913 64.7349 173.1348 54 D 5.1387 8.4749 120.8354 53.3019 40.6714 175.2758 55 K 4.6758 7.6222 119.6369 55.3137 35.5546 175.2368 56 K 4.4588 8.8359 128.9889 55.3310 35.0507 174.2188 57 E 5.0792 8.6151 125.4493 54.9224 32.4246 176.1050 58 D 4.3742 9.1985 122.0267 53.7211 42.4338 176.3593 59 G 3.9139 8.5467 116.9290 45.1102 0.0000 173.8736 *61 R 4.2643 8.3336 118.1287 55.9307 33.0643 175.5576 62 F 4.9222 7.3129 118.0742 57.5886 40.6055 175.1980 63 T 4.8618 8.8317 120.1995 62.2690 72.5157 173.1167 64 I 4.3901 8.8004 129.1764 60.8631 38.9105 175.2622 65 F 5.0618 9.3372 125.4157 55.6894 41.5972 173.8742 66 F 4.9357 8.7737 126.9764 56.4295 40.7099 174.7116 67 N 4.1776 7.8509 125.6452 51.5185 39.1299 174.5904 68 K 3.7642 8.8458 123.5697 60.6661 33.2846 177.1337 69 R 4.0542 7.6564 112.9494 56.8891 30.5232 177.9229 70 E 3.6950 8.6269 116.9199 55.8541 29.0622 173.9361 71 K 3.4832 7.1539 116.4462 56.3590 30.4187 174.0712 72 K 4.3174 6.8085 116.3339 55.3588 35.3148 176.5624 73 L 4.8722 8.1493 119.9644 54.5318 46.1851 173.5582 74 S 5.3148 9.1565 120.2641 56.6702 67.1458 172.3200 75 L 4.5485 8.7801 124.5610 53.6187 44.0558 174.4574 76 H 5.1592 8.8166 123.6163 54.3754 31.2786 173.8274 77 I 4.6138 8.8029 125.6314 59.4478 37.5379 175.0447 78 A 4.2536 8.4634 128.5542 51.4417 19.2346 176.4986 79 D 4.6681 8.5883 116.2710 53.6086 39.1081 174.3091 80 S 4.3901 8.5289 116.4056 60.1372 63.8054 173.4699 81 Q 4.7547 8.0899 121.1412 55.9856 31.6135 173.4069 82 P 4.8560 0.0000 0.0000 62.0206 29.7225 175.7273 83 G 4.2979 7.5612 105.4520 47.3731 0.0000 172.4572 84 D 4.9535 8.7460 119.4193 54.8757 40.6237 177.2573 85 S 4.8074 8.0708 117.0132 56.9170 62.1498 173.4072 86 A 4.4408 7.5386 127.4656 51.9296 22.9763 173.9304 87 T 4.6236 7.9135 110.8209 62.3213 70.9539 173.7891 88 Y 5.1998 8.2601 123.2404 56.4799 40.4457 174.6641 89 F 4.8695 9.1881 124.1057 56.3522 41.3520 174.2664 90 C 3.9661 8.7128 123.0228 54.6406 40.5657 172.4885 91 A 4.8295 8.1405 127.7177 50.4007 22.0223 174.5733 92 A 4.7623 7.7673 118.2854 51.1627 22.8485 175.7891 93 S 4.7180 7.4930 112.9746 56.6516 66.7747 172.8923 *98 A 4.7664 8.4554 122.5693 51.7413 19.6666 177.4475 99 N 4.3097 8.8462 116.8194 55.0889 37.8699 175.8794 100 S 4.4309 7.4881 114.8349 57.9242 64.1061 173.8970 101 G 4.4626 8.1033 107.6968 45.3876 0.0000 174.3915 102 T 3.9964 7.3264 109.0234 60.9577 69.4710 173.5937 103 Y 4.4413 7.8073 120.4542 56.4924 38.9272 175.4215 104 Q 4.2179 8.6848 120.2251 56.3949 29.8114 175.9237 105 R 4.6764 8.6658 122.9738 54.5808 32.3048 175.3842 106 F 4.5352 8.8768 122.8931 56.3893 40.6638 176.3354 107 G 3.9665 8.2004 109.6189 45.8542 0.0000 173.8276 108 T 4.1188 8.7001 115.8630 67.5191 68.5688 175.2789 109 G 3.9348 8.1731 107.4597 44.5490 0.0000 172.8836 110 T 4.6216 8.1524 117.4182 61.3538 72.1954 173.1228 111 K 4.6059 8.6122 125.8298 55.2516 33.8913 175.2381 112 L 5.8534 8.5262 126.9307 52.5493 45.1769 174.8612 113 Q 4.6602 8.6505 123.8740 54.0812 32.1446 174.3228 114 V 5.2785 8.5536 124.5869 60.7279 32.8450 174.7605 115 V 4.3662 8.2208 128.4835 60.3586 33.6359 174.1134 116 P 4.6477 0.0000 0.0000 63.2390 31.1996 176.0674 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 2 Q 8.34 4.35 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 3 V 8.21 4.49 2.05 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 0.87 0.00 0.00 0.77 0.00 0.00 4 R 10.01 4.60 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 5 Q 8.71 4.36 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 6 S 8.87 4.09 0.00 3.89 3.76 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 7 P 0.00 4.28 0.00 2.11 2.05 0.00 3.82 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 2.05 2.10 0.00 8 Q 8.67 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 S 7.53 4.79 0.00 3.85 3.70 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 10 L 9.45 4.70 0.00 1.70 1.45 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.49 5.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 12 V 9.03 4.28 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 1.06 0.00 0.00 0.84 0.00 0.00 13 W 8.91 5.00 0.00 3.80 2.91 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 14 E 8.88 3.95 0.00 1.99 2.05 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 2.37 2.35 0.00 15 G 8.96 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 16 E 7.91 4.72 0.00 2.03 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 2.43 2.59 0.00 17 T 8.35 4.91 4.19 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 0.00 0.00 0.00 1.14 0.00 0.00 18 A 8.68 4.19 1.25 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 0.00 0.00 19 I 8.21 4.56 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.84 0.00 0.00 20 L 8.42 4.57 0.00 1.45 1.75 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.87 5.19 0.00 2.72 2.79 0.00 0.00 6.45 7.66 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 22 C 9.70 5.45 0.00 3.18 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 23 S 8.85 5.26 0.00 3.86 3.88 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 0.00 0.00 0.00 24 Y 7.50 5.33 0.00 3.31 3.11 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 25 E 9.01 4.74 0.00 2.08 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 2.26 2.32 0.00 26 N 8.71 4.81 0.00 2.56 2.01 0.00 0.00 6.79 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.72 4.29 0.00 4.09 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 28 A 7.72 4.21 1.20 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 0.00 0.00 0.00 0.00 0.00 29 F 7.99 4.92 0.00 2.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.06 5.27 0.00 2.70 2.89 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 31 Y 7.55 5.14 0.00 2.86 2.65 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 0.00 0.00 0.00 0.00 32 F 9.13 5.66 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 1.84 1.59 0.00 3.05 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 1.88 1.70 0.00 34 W 8.79 5.25 0.00 3.39 3.20 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 0.00 0.00 0.00 35 Y 9.60 5.24 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.96 5.18 0.00 2.23 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 37 Q 8.61 4.59 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 38 F 8.47 5.32 0.00 3.28 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.21 2.12 0.00 3.95 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 2.07 2.07 0.00 40 G 9.28 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 41 E 7.92 4.67 0.00 2.03 1.93 0.00 0.00 0.00 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 2.49 0.00 42 G 8.24 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 5.02 0.00 1.91 2.15 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.09 0.00 44 A 9.05 4.91 1.23 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 0.00 0.00 45 L 8.70 3.40 0.00 1.28 1.47 0.59 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.71 4.33 0.00 1.50 1.72 0.03 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.00 4.26 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.74 0.00 0.00 48 S 8.86 5.35 0.00 3.74 3.71 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 49 I 8.15 4.77 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.34 1.02 0.00 0.00 50 L 8.34 5.39 0.00 1.63 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.17 3.14 0.00 3.90 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 52 V 7.98 3.59 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 0.80 0.00 0.00 0.94 0.00 0.00 53 S 7.74 4.76 0.00 3.99 3.82 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 54 D 8.47 5.14 0.00 3.00 3.03 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 55 K 7.62 4.68 0.00 1.55 1.53 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.01 0.72 7.81 56 K 8.84 4.46 0.00 1.84 1.55 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.55 1.40 7.81 57 E 8.62 5.08 0.00 1.93 1.77 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 2.07 2.22 0.00 58 D 9.20 4.37 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.55 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 *61 R 8.33 4.26 0.00 0.98 1.93 0.00 3.62 0.00 0.00 3.17 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.00 62 F 7.31 4.92 0.00 2.93 2.79 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 63 T 8.83 4.86 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 64 I 8.80 4.39 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.76 1.07 0.00 0.00 65 F 9.34 5.06 0.00 2.87 2.94 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 0.00 0.00 0.00 66 F 8.77 4.94 0.00 2.98 2.92 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 67 N 7.85 4.18 0.00 2.72 2.56 0.00 0.00 6.38 6.56 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 68 K 8.85 3.76 0.00 2.11 1.77 0.00 2.10 0.00 0.00 2.36 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.68 7.81 69 R 7.66 4.05 0.00 2.01 2.06 0.00 3.13 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 70 E 8.63 3.69 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 2.08 2.25 0.00 71 K 7.15 3.48 0.00 1.49 0.74 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.24 7.81 72 K 6.81 4.32 0.00 1.58 1.63 0.00 1.73 0.00 0.00 1.52 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.41 7.81 73 L 8.15 4.87 0.00 1.73 1.75 1.29 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.16 5.31 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.78 4.55 0.00 0.27 0.40 0.54 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.82 5.16 0.00 3.20 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.80 4.61 1.84 0.00 0.00 0.67 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 0.90 0.81 0.00 0.00 78 A 8.46 4.25 1.22 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 0.00 0.00 79 D 8.59 4.67 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.53 4.39 0.00 4.00 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 81 Q 8.09 4.75 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.29 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 82 P 0.00 4.86 0.00 2.25 2.23 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 83 G 7.56 4.30 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 0.00 0.00 0.00 84 D 8.75 4.95 0.00 2.82 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.81 0.00 3.98 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 86 A 7.54 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.91 4.62 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 0.46 0.00 0.00 88 Y 8.26 5.20 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.19 4.87 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.71 3.97 0.00 1.23 2.36 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 91 A 8.14 4.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.76 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.49 4.72 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 A 8.46 4.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.85 4.31 0.00 2.81 2.97 0.00 0.00 6.97 7.16 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 0.00 100 S 7.49 4.43 0.00 3.95 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 0.00 101 G 8.10 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.33 4.00 3.96 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 1.09 0.00 0.00 103 Y 7.81 4.44 0.00 3.02 3.04 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 0.00 104 Q 8.68 4.22 0.00 1.89 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 105 R 8.67 4.68 0.00 1.47 1.84 0.00 3.36 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.90 0.00 106 F 8.88 4.54 0.00 2.71 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 0.00 107 G 8.20 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.70 4.12 4.31 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 1.27 0.00 0.00 109 G 8.17 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.62 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 1.31 0.00 0.00 111 K 8.61 4.61 0.00 1.68 1.69 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 112 L 8.53 5.85 0.00 1.91 1.64 1.03 0.87 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 0.00 113 Q 8.65 4.66 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 114 V 8.55 5.28 2.22 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 0.72 0.00 0.00 1.05 0.00 0.00 115 V 8.22 4.37 2.24 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 1.18 0.00 0.00 0.97 0.00 0.00 116 P 0.00 4.65 0.00 2.11 2.00 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.