NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5539 8.3649 120.5278 53.8609 42.2458 174.9578 12 S 4.0675 8.5911 119.7518 57.6361 63.0587 172.0582 13 I 4.5300 8.1226 125.0131 58.4947 41.7779 174.0269 14 L 4.1554 8.3983 128.1236 55.4587 42.3267 177.1214 15 H 4.9760 8.3420 125.8103 55.0613 30.5561 170.4472 16 Q 4.4230 8.7374 122.4903 53.7140 31.4605 173.9104 17 L 5.0501 8.0179 125.9558 53.1999 43.9378 175.8787 18 F 4.8632 8.8972 120.6664 55.6352 43.5407 174.0268 19 I 4.6205 8.4946 123.2508 61.3661 37.8204 175.7675 20 V 4.9221 9.0034 119.0089 59.7971 36.7652 174.5609 21 R 5.2507 9.1120 121.7027 54.3090 33.1641 174.7945 22 F 4.4770 9.3735 127.9959 58.4734 39.2455 174.7463 23 L 4.1150 8.6644 126.6359 54.0252 43.0637 177.2326 24 G 3.5401 5.3800 107.7827 44.9163 0.0000 170.4111 25 S 5.0254 7.5563 113.2467 57.0738 66.3305 173.1572 26 M 4.7135 8.3590 116.7364 53.6079 34.6550 173.6959 27 E 4.4021 8.7348 122.5314 56.8059 30.3544 176.0865 28 V 4.5828 8.3953 119.0966 58.7798 35.8839 175.4349 29 K 3.9121 8.5046 123.3460 56.4012 32.4762 176.6538 30 S 4.2689 8.6560 122.6403 59.2066 62.3090 173.0724 31 D 4.4744 7.9352 122.5920 52.6548 41.0546 176.2284 32 D 4.1739 8.8127 119.2161 55.2368 41.5582 174.7083 33 H 3.8774 7.8022 119.2776 56.2872 29.3542 173.4487 34 P 4.3059 0.0000 0.0000 65.1477 31.6137 177.3087 35 D 4.6155 8.2317 118.2999 55.9454 41.4158 178.3219 36 V 3.5327 7.6220 113.9413 64.5031 31.3476 178.5490 37 V 3.4386 7.4060 117.1845 66.2231 31.5173 177.6304 38 Y 4.3679 7.4816 116.2782 60.9134 37.8228 178.0207 39 E 4.0173 8.5684 119.0004 59.6432 29.6546 179.3272 40 T 3.7654 8.0226 116.7332 66.5345 68.4470 176.1161 41 M 3.9666 8.1888 120.7455 58.6860 31.9890 178.9263 42 R 3.9008 7.8668 117.5805 59.6704 30.3212 179.2789 43 Q 3.9594 7.9874 117.4404 58.7853 28.5962 178.9248 44 I 3.6427 7.9142 121.0653 64.2936 37.1643 178.4002 45 L 3.8878 8.0695 119.7696 57.6615 41.4285 179.4708 46 A 3.9009 8.2183 120.5956 55.0957 18.3517 179.4974 47 A 3.9350 8.0307 119.2378 55.4625 18.4002 180.0549 48 R 3.8445 8.1654 116.3994 59.2329 29.9383 179.2587 49 A 3.8728 7.9359 120.5652 55.2320 18.2012 179.7041 50 I 3.6129 7.6218 117.1025 64.1551 37.1769 177.4480 51 H 4.7573 7.8202 113.6550 54.4067 29.2683 174.4163 52 N 4.1954 7.6768 116.9285 54.3164 36.3589 174.5618 53 I 4.2840 7.8945 118.8273 60.7162 38.0982 176.1747 54 F 4.4146 8.8880 123.6230 58.3210 40.7080 176.5789 55 R 4.1339 8.0119 120.6786 56.2382 30.4236 175.4669 56 M 4.7813 8.3395 122.3320 53.9957 33.6714 174.3837 57 T 4.1279 8.7347 120.0001 61.7910 68.7005 172.8540 58 E 4.8338 8.9079 130.4041 56.5187 30.7461 175.5223 59 S 4.8526 9.4870 121.6656 57.5260 68.5803 172.1256 60 H 5.3911 9.0075 118.2561 54.4848 30.5008 174.2373 61 L 4.7675 9.1360 126.6536 53.9416 43.6199 174.6965 62 L 4.8858 8.9106 129.3489 53.4440 44.2926 174.8667 63 V 4.6158 8.7941 127.4671 61.5683 33.0453 174.6522 64 T 5.3043 8.5334 117.5028 59.7586 72.3602 174.2830 65 C 4.1693 8.8337 114.7287 59.8271 30.2957 173.8848 66 D 4.6524 7.3753 120.2435 55.5682 41.9189 175.4073 67 C 5.1095 7.4791 111.5196 57.8299 33.5181 172.7240 68 L 5.1478 8.5031 119.8736 53.2913 43.3859 176.1720 69 K 5.0594 8.9335 121.5359 54.5647 36.5926 174.9581 70 L 5.1957 8.6874 122.6262 53.2069 44.1492 175.5724 71 I 4.9371 8.6050 124.8269 59.0874 40.8544 174.5469 72 D 4.5894 9.0936 126.9017 53.7159 41.3667 175.4848 73 P 3.9492 0.0000 0.0000 65.3083 31.7676 177.4650 74 Q 4.1522 8.6895 119.1985 58.0061 29.1449 176.3551 75 T 4.3337 7.9101 104.4719 60.6102 70.0524 174.4733 76 Q 3.6073 8.2018 119.7443 56.7431 27.1049 173.3346 77 V 3.8534 7.3226 118.9390 62.9741 32.8180 175.3355 78 T 4.4148 8.4162 124.6579 63.6223 68.2349 174.6735 79 R 4.2211 8.9648 127.2768 58.5359 31.0072 177.3096 80 L 4.6185 7.5236 116.4176 53.2814 46.4116 175.2684 81 T 4.7242 7.7545 115.0575 60.3208 70.8851 173.1402 82 F 4.8399 9.1475 126.2503 54.8721 42.5274 172.8792 83 P 4.4976 0.0000 0.0000 62.2307 32.0366 177.1584 84 L 3.8991 8.7263 125.8609 57.8462 42.0945 177.4637 85 P 4.3346 0.0000 0.0000 65.6370 31.5198 177.0635 86 C 4.2914 8.2475 114.7344 60.9892 28.3583 173.4843 87 V 4.5395 7.4293 120.1057 62.2755 29.4805 175.4282 88 V 4.3231 8.2428 118.3746 61.6640 32.6423 176.1250 89 L 4.7925 7.8046 119.9364 53.7646 46.3279 173.8985 90 Y 5.3283 7.8442 118.9547 56.2527 41.3818 173.1593 91 A 4.5418 8.3991 121.3661 52.0564 23.5511 175.1739 92 T 5.1165 8.2509 112.8886 60.7492 71.1281 171.7250 93 H 5.1365 8.4837 117.8713 53.8539 30.8432 175.7327 94 Q 4.0253 8.9533 123.2078 59.2165 28.6199 177.6287 95 E 4.3438 8.0482 113.5674 57.1330 30.2665 176.8085 96 N 4.9930 7.8531 117.7541 52.5530 39.6644 174.1514 97 K 4.7881 8.0743 116.7848 56.1748 32.7255 178.2169 98 R 4.6540 8.0456 117.8953 56.4287 31.0423 175.7436 99 L 5.4753 7.8095 119.1726 52.9800 44.5312 175.8419 100 F 5.2337 9.4652 124.1590 56.9046 43.3310 173.4750 101 G 4.4525 8.2165 111.4099 45.2202 0.0000 171.1388 102 F 5.3892 8.4455 114.0743 55.6367 42.0094 172.9789 103 V 4.7305 9.0186 120.4691 61.1831 33.8720 173.9497 104 L 5.1951 9.2452 130.7088 53.6837 43.8029 174.6995 105 R 5.0387 9.1699 127.9460 54.9085 31.8482 174.7324 106 T 4.7352 8.9556 121.6169 60.2776 70.1122 172.9133 107 S 4.7892 8.4681 121.7954 56.2164 65.0896 173.0460 *115 L 4.3145 8.3715 126.2770 54.6661 42.6827 175.8753 116 S 4.8273 8.8509 117.8192 56.5420 65.5478 172.7869 117 S 5.3060 8.6532 121.4521 56.7571 67.1387 172.9253 118 V 4.6196 8.5833 122.6170 61.2261 34.8424 173.4912 119 C 4.9205 8.7943 128.4522 58.0718 33.5566 171.5608 120 Y 4.7975 8.4487 124.0543 56.1138 40.2143 174.5978 121 I 4.9293 8.5523 125.1417 59.4944 40.2404 174.7641 122 F 5.4345 9.5664 124.7461 55.7557 43.4544 173.4230 123 E 5.0915 9.5027 122.7598 55.1467 31.3988 174.7567 124 S 5.0827 8.5479 119.7940 55.5587 65.8765 173.9619 125 N 4.6639 8.3860 120.7468 53.2490 36.8803 174.6538 126 N 4.3554 7.9679 108.7725 55.0481 38.0623 173.6351 127 E 4.6594 8.4847 113.4105 55.5717 30.4249 178.3820 128 G 3.6405 8.5312 109.7760 48.0565 0.0000 175.9498 129 E 4.0074 8.1323 121.2722 58.9157 29.7328 178.8728 130 K 4.0068 7.9236 118.1260 59.3003 32.0757 179.2779 131 I 2.5709 7.3821 120.2135 64.2096 36.8559 178.1906 132 C 4.3232 7.8752 117.4514 63.1245 27.9917 176.0541 133 D 4.4081 8.2511 120.4480 57.2451 40.3000 178.8087 134 S 4.0851 8.0079 113.7218 61.4827 62.4738 176.4600 135 V 3.4973 7.8983 121.2275 65.6847 31.0941 178.2777 136 G 3.6885 8.2412 105.8110 47.1691 0.0000 175.5834 137 L 3.9518 8.0936 122.5405 57.7517 42.1539 178.6446 138 A 3.9502 8.2603 121.1862 55.4381 18.1918 179.8378 139 K 3.9660 8.1655 116.7206 59.5478 31.9933 179.7407 140 Q 3.9920 8.1737 118.4535 58.9244 28.7585 178.5916 141 I 3.6668 7.9743 120.7619 64.5260 37.2161 178.3624 142 A 4.0219 8.0899 121.4116 55.0379 18.1522 179.4501 143 L 3.9263 8.2941 119.2391 58.3970 42.0337 178.5230 144 H 4.0335 8.5125 118.2033 59.3578 29.5430 177.1143 145 A 4.0123 7.7807 121.0950 55.0673 18.2761 178.8631 146 E 4.0123 8.0744 116.9846 59.4167 29.8221 178.7337 147 L 4.1569 7.9016 117.4624 56.6913 41.8363 177.0391 148 D 4.5418 7.5215 122.2840 54.4414 41.3470 175.4151 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 11 D 8.36 4.55 0.00 2.65 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 12 S 8.59 4.07 0.00 3.92 3.80 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 13 I 8.12 4.53 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.88 0.00 0.00 14 L 8.40 4.16 0.00 1.63 1.55 0.94 0.89 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 15 H 8.34 4.98 0.00 3.08 3.10 0.00 5.94 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.74 4.42 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.56 0.00 0.00 0.00 0.00 0.00 2.11 1.38 0.00 17 L 8.02 5.05 0.00 1.31 1.33 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.90 4.86 0.00 2.81 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 19 I 8.49 4.62 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 1.01 0.00 0.00 20 V 9.00 4.92 2.29 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 0.70 0.00 0.00 1.01 0.00 0.00 21 R 9.11 5.25 0.00 1.85 1.92 0.00 3.20 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 1.65 1.66 0.00 22 F 9.37 4.48 0.00 3.09 3.07 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 23 L 8.66 4.12 0.00 1.38 1.46 0.89 1.00 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 24 G 5.38 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.56 5.03 0.00 3.28 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 26 M 8.36 4.71 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 27 E 8.73 4.40 0.00 1.96 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 2.26 2.49 0.00 28 V 8.40 4.58 2.03 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 0.67 0.00 0.00 0.91 0.00 0.00 29 K 8.50 3.91 0.00 1.67 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.52 7.81 30 S 8.66 4.27 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.94 4.47 0.00 2.81 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 32 D 8.81 4.17 0.00 2.66 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 33 H 7.80 3.88 0.00 3.22 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.16 2.10 0.00 3.70 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 1.96 1.94 0.00 35 D 8.23 4.62 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.62 3.53 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 37 V 7.41 3.44 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.77 0.00 0.00 38 Y 7.48 4.37 0.00 3.17 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.02 0.00 2.17 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 0.00 2.49 2.38 0.00 40 T 8.02 3.77 4.29 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 1.08 0.00 0.00 41 M 8.19 3.97 0.00 2.11 2.39 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 42 R 7.87 3.90 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 43 Q 7.99 3.96 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 44 I 7.91 3.64 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.72 0.00 0.00 45 L 8.07 3.89 0.00 1.70 1.67 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.22 3.90 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 47 A 8.03 3.93 1.40 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 0.00 0.00 0.00 48 R 8.17 3.84 0.00 1.92 1.90 0.00 3.18 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 49 A 7.94 3.87 1.30 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 50 I 7.62 3.61 1.81 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 1.67 0.75 0.61 0.00 0.00 51 H 7.82 4.76 0.00 3.21 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.68 4.20 0.00 2.91 3.05 0.00 0.00 6.89 7.68 0.00 0.00 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 I 7.89 4.28 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.92 0.00 0.00 54 F 8.89 4.41 0.00 2.99 3.15 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 55 R 8.01 4.13 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 56 M 8.34 4.78 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 57 T 8.73 4.13 4.35 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 1.42 0.00 0.00 58 E 8.91 4.83 0.00 2.11 1.90 0.00 0.00 0.00 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 2.45 0.00 59 S 9.49 4.85 0.00 3.88 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 60 H 9.01 5.39 0.00 3.08 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.14 4.77 0.00 1.61 1.56 0.83 0.07 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 62 L 8.91 4.89 0.00 1.71 1.46 0.59 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.79 4.62 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 0.84 0.00 0.00 0.93 0.00 0.00 64 T 8.53 5.30 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 1.19 0.00 0.00 65 C 8.83 4.17 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 66 D 7.38 4.65 0.00 2.60 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 67 C 7.48 5.11 0.00 3.08 2.97 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 68 L 8.50 5.15 0.00 1.65 1.52 0.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.93 5.06 0.00 1.64 1.61 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.35 7.81 70 L 8.69 5.20 0.00 1.64 1.65 1.31 0.64 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 71 I 8.61 4.94 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.00 0.95 0.00 0.00 72 D 9.09 4.59 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.95 0.00 2.01 1.81 0.00 3.70 0.00 0.00 3.69 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 74 Q 8.69 4.15 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 75 T 7.91 4.33 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 76 Q 8.20 3.61 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 77 V 7.32 3.85 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 0.94 0.00 0.00 0.92 0.00 0.00 78 T 8.42 4.41 4.21 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 1.18 0.00 0.00 79 R 8.96 4.22 0.00 1.75 1.96 0.00 3.13 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 80 L 7.52 4.62 0.00 1.28 0.75 0.96 0.46 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 81 T 7.75 4.72 4.10 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 1.08 0.00 0.00 82 F 9.15 4.84 0.00 2.81 2.86 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 0.00 0.00 0.00 83 P 0.00 4.50 0.00 2.22 2.00 0.00 3.73 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 2.15 2.09 0.00 84 L 8.73 3.90 0.00 1.77 1.66 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.33 0.00 2.10 2.13 0.00 3.64 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 2.04 2.13 0.00 86 C 8.25 4.29 0.00 3.25 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 87 V 7.43 4.54 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 0.67 0.00 0.00 0.78 0.00 0.00 88 V 8.24 4.32 2.13 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 0.84 0.00 0.00 1.05 0.00 0.00 89 L 7.80 4.79 0.00 1.57 1.43 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.84 5.33 0.00 3.13 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 91 A 8.40 4.54 0.93 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 92 T 8.25 5.12 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 1.32 0.00 0.00 93 H 8.48 5.14 0.00 3.38 3.12 0.00 5.68 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 94 Q 8.95 4.03 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 95 E 8.05 4.34 0.00 1.89 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 2.26 2.34 0.00 96 N 7.85 4.99 0.00 2.75 2.65 0.00 0.00 7.14 5.97 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 97 K 8.07 4.79 0.00 1.90 1.84 0.00 2.01 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.54 7.81 98 R 8.05 4.65 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 99 L 7.81 5.48 0.00 1.60 1.66 0.99 1.28 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 0.00 100 F 9.47 5.23 0.00 3.13 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 0.00 101 G 8.22 4.45 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 0.00 102 F 8.45 5.39 0.00 3.27 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 0.00 103 V 9.02 4.73 2.13 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 1.00 0.00 0.00 0.89 0.00 0.00 104 L 9.25 5.20 0.00 2.02 1.85 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.17 5.04 0.00 1.85 1.85 0.00 3.31 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 1.58 1.57 0.00 106 T 8.96 4.74 4.32 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 1.32 0.00 0.00 107 S 8.47 4.79 0.00 3.84 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 *115 L 8.37 4.31 0.00 1.72 1.66 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.85 4.83 0.00 3.88 3.69 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 0.00 117 S 8.65 5.31 0.00 3.94 3.69 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 0.00 118 V 8.58 4.62 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 0.24 0.00 0.00 0.92 0.00 0.00 119 C 8.79 4.92 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.45 4.80 0.00 1.75 2.63 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 0.00 0.00 0.00 0.00 121 I 8.55 4.93 1.71 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 1.10 0.62 0.84 0.00 0.00 122 F 9.57 5.43 0.00 3.22 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 0.00 123 E 9.50 5.09 0.00 2.07 1.90 0.00 0.00 0.00 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 2.44 0.00 124 S 8.55 5.08 0.00 3.93 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 0.00 125 N 8.39 4.66 0.00 2.81 2.83 0.00 0.00 6.87 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.97 4.36 0.00 2.87 2.89 0.00 0.00 7.14 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 0.00 127 E 8.48 4.66 0.00 1.99 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 2.29 2.48 0.00 128 G 8.53 3.64 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 0.00 0.00 0.00 129 E 8.13 4.01 0.00 2.12 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 2.40 2.48 0.00 130 K 7.92 4.01 0.00 1.93 1.99 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.55 7.81 131 I 7.38 2.57 1.06 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.72 0.00 0.00 132 C 7.88 4.32 0.00 3.21 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 0.00 133 D 8.25 4.41 0.00 2.86 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 0.00 134 S 8.01 4.09 0.00 4.21 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 0.00 135 V 7.90 3.50 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 -0.12 0.00 0.00 0.65 0.00 0.00 136 G 8.24 3.69 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 0.00 0.00 0.00 137 L 8.09 3.95 0.00 1.88 1.84 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.26 3.95 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 0.00 139 K 8.17 3.97 0.00 2.03 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.49 7.81 140 Q 8.17 3.99 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 141 I 7.97 3.67 1.99 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 1.70 1.36 0.90 0.00 0.00 142 A 8.09 4.02 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 0.00 143 L 8.29 3.93 0.00 1.89 1.87 0.96 1.23 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 0.00 144 H 8.51 4.03 0.00 3.24 3.49 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.78 4.01 1.34 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 0.00 0.00 146 E 8.07 4.01 0.00 1.99 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 2.32 2.35 0.00 147 L 7.90 4.16 0.00 1.60 1.68 0.92 0.91 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 0.00 148 D 7.52 4.54 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.