NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5430 8.4244 119.2069 53.0262 39.3051 173.9414 3 L 4.0203 8.4441 129.0640 53.3313 41.5426 174.2782 4 N 5.2443 8.8029 121.5772 52.2229 40.5999 172.9746 5 Q 5.0112 8.0438 120.1608 54.7506 32.4309 173.2115 6 L 4.7768 8.8794 127.9281 53.3543 45.0122 174.4106 7 D 4.9558 8.7625 125.6730 52.7811 42.9610 175.5926 8 I 4.2936 8.1110 123.5912 59.6273 39.6831 174.6727 9 I 4.7231 8.3856 128.3994 60.7293 38.2783 175.2840 10 V 4.7204 8.5587 119.9945 59.4997 35.5610 177.1515 11 S 4.2121 8.8685 116.6038 60.3977 63.0501 173.9177 12 N 4.9705 7.6846 117.8340 50.4031 38.7203 173.8011 13 V 3.5946 8.0605 122.7459 65.6732 31.9786 175.0646 14 P 4.1349 0.0000 0.0000 65.6667 31.0612 178.3474 15 Q 4.0112 7.9975 117.1448 58.8625 28.9752 178.0660 16 V 3.5674 8.0040 119.4995 66.0778 31.5082 177.4566 17 C 4.2393 8.8852 118.6734 62.5806 31.5242 175.4697 18 A 4.1807 8.1137 122.1995 55.2767 18.0557 179.2293 19 D 4.3965 8.3853 117.6228 57.6344 40.8461 179.1404 20 L 3.8822 8.2836 119.6952 57.8194 41.5143 179.1861 21 E 4.9633 8.6405 120.2508 59.3528 29.1696 179.4160 22 H 4.2562 7.8542 114.5168 58.9394 28.9221 177.4914 23 I 3.8960 7.4788 120.1017 64.4179 35.7696 177.9925 24 L 4.4011 8.4851 118.6270 54.4767 41.7476 176.4364 25 D 4.6604 7.7969 117.2830 54.0527 40.4633 173.0749 26 K 4.6977 7.3946 113.2200 55.1489 35.8357 175.3464 27 K 4.5546 8.4791 120.2983 55.5902 32.8784 176.9229 28 A 3.0169 8.3869 125.4604 52.3133 18.7235 177.7676 29 D 4.4928 8.3593 122.3805 57.4728 41.3955 176.7158 30 Y 4.7110 7.4190 116.3641 56.7538 41.5923 172.7186 31 A 4.6180 6.7923 126.8369 50.9568 22.1997 175.3509 32 N 5.0096 8.8763 119.4968 51.2382 40.2210 174.5694 33 D 4.4205 8.8728 116.5914 57.0493 41.0694 177.1568 34 G 4.3136 8.7088 104.8123 45.2911 0.0000 171.9022 35 F 5.4065 8.2090 120.8456 57.0964 43.2205 172.7999 36 A 4.8703 7.8385 126.0069 50.3117 22.6361 175.1024 37 Q 4.5605 9.0771 121.4340 54.2466 32.2350 174.1978 38 F 4.9918 9.2780 124.9582 55.9761 42.1515 174.6947 39 T 4.8828 7.9445 115.9923 62.1437 70.0790 175.4004 40 I 4.5696 8.7292 127.6654 58.9040 38.8748 177.4091 41 G 3.9605 8.6522 118.1296 46.1826 0.0000 172.1224 42 S 4.6966 9.2353 113.4127 57.8312 63.7752 173.3702 43 H 5.1473 7.8138 116.9555 54.8301 33.1822 172.1821 44 C 5.2735 9.2339 119.0355 58.2487 31.2207 172.4659 45 L 5.4482 8.5056 122.0739 52.1170 46.3305 174.8992 *47 L 4.4957 8.2008 119.7443 54.6579 43.4186 176.1805 48 S 5.0459 9.0118 117.3378 57.0659 65.6523 174.2470 49 Q 4.7737 9.1367 128.3926 58.1130 29.4841 176.2026 50 N 4.4720 8.2938 115.7881 54.0334 39.5405 174.3680 51 H 4.7669 8.4426 121.9352 53.6504 28.0448 174.0792 52 L 4.0492 8.5293 126.2857 57.5033 41.9788 176.9295 53 V 4.6130 7.3132 108.4527 58.3940 35.6132 172.7526 54 P 4.5086 0.0000 0.0000 62.4268 31.8108 175.5538 55 L 4.3650 7.6956 120.2269 55.5245 41.9929 173.0207 56 E 4.3306 8.5512 120.1687 55.0474 30.5222 175.8259 57 N 4.4599 8.6662 120.7664 53.3258 39.1987 174.7639 58 F 4.0137 9.2600 124.4080 59.1870 39.5529 173.4286 59 Q 4.0723 6.9823 125.6990 56.3739 31.1821 175.7726 60 S 4.5018 6.6312 110.3978 57.5639 65.5052 174.0414 61 G 4.0852 9.6051 108.2775 45.0154 0.0000 172.9804 62 I 4.8248 7.8572 111.1973 58.7704 41.4932 173.7853 63 I 4.7987 8.2922 123.6408 59.6785 39.8685 174.7994 64 I 4.2097 8.4441 128.3522 60.2485 38.7413 174.2947 65 H 5.1502 8.7235 124.4057 54.0670 30.7995 174.1332 66 I 4.4162 9.0772 124.8465 59.3009 39.4336 174.4773 67 E 4.0457 8.7841 129.0732 55.7923 30.0659 176.1752 68 V 4.5458 8.4015 119.5698 59.5549 35.2766 175.8485 69 E 3.9544 9.0117 122.8406 58.8613 29.2605 176.6588 70 D 4.5892 7.7251 118.0634 51.4697 42.8378 175.6330 71 V 3.6909 8.3960 127.0002 66.1374 31.6946 177.4012 72 D 4.4263 8.1665 118.2388 57.0790 40.7290 178.2181 73 Q 3.9156 8.2250 119.7674 59.5059 29.0278 178.1035 74 N 4.1557 7.7455 116.2244 56.4515 38.4248 176.7025 75 Y 4.1976 8.1420 121.0722 60.4873 38.8413 178.3389 76 K 3.6149 7.9922 119.6546 59.9115 32.6359 178.6139 77 R 3.8010 7.8323 120.6065 59.1975 29.9944 178.3133 78 L 3.9061 8.0239 118.5033 57.7827 41.4610 179.1161 79 N 4.1755 8.2329 116.8654 56.2082 38.1812 176.9343 80 E 3.8260 8.0765 119.6954 59.4170 29.9432 178.7352 81 L 4.0777 7.7453 117.5715 56.0423 41.6471 178.5772 82 G 3.8935 7.4795 106.0048 45.2677 0.0000 173.4583 83 I 3.8814 7.2918 120.3260 60.6161 37.8619 175.9991 84 K 4.0448 8.7624 128.3056 56.7286 33.1632 175.3129 85 V 4.4725 8.3990 127.8783 61.9327 32.0651 175.4479 86 L 4.3855 9.3074 128.6854 57.1704 43.0142 177.0294 87 H 4.7262 8.0578 116.4122 54.3220 32.5408 173.9383 88 G 4.1308 8.8341 111.2739 45.3820 0.0000 170.2533 89 P 4.7411 0.0000 0.0000 62.8879 31.7205 176.3966 90 T 4.9120 8.8382 113.9621 59.8587 72.9096 172.9284 91 V 5.1086 8.0554 120.2179 60.3368 34.5929 175.4056 92 T 4.3952 8.6867 114.0685 60.5102 70.0557 175.1725 93 D 4.0971 8.2286 120.5486 56.1493 41.1135 176.4677 94 W 4.5357 8.2591 117.1921 56.6941 29.1402 176.6871 95 G 3.8359 8.3012 106.2948 45.8039 0.0000 174.0573 96 T 4.6073 7.8485 117.5144 62.3192 69.4041 173.2848 97 E 5.1529 9.6335 129.7378 55.0137 31.3206 175.1730 98 S 5.3656 9.3981 121.0196 56.6717 67.4991 172.8472 99 L 5.0753 9.0022 122.3319 53.7565 45.1623 174.7381 100 L 5.1709 8.6051 126.6598 53.5046 43.7013 176.2819 101 V 4.9381 8.8231 116.6589 59.2220 36.0617 174.7699 102 Q 4.2693 9.1603 126.5724 56.4668 29.3502 176.0298 103 G 4.2282 8.9399 115.7497 43.9438 0.0000 171.1268 104 P 4.5145 0.0000 0.0000 63.0763 32.0798 175.6836 105 A 3.7685 9.4032 119.0575 53.4324 15.7707 178.8904 106 G 4.3291 8.4798 105.6611 47.8937 0.0000 174.6879 107 L 4.3146 8.0019 120.3894 54.5542 43.1405 176.1110 108 V 4.7699 7.9537 119.1995 61.1340 34.3374 174.3247 109 L 5.0604 8.7556 127.0253 52.8796 45.3221 174.8290 110 D 5.2603 8.6845 121.1813 52.6340 44.2857 174.2668 111 F 5.3441 9.3994 125.6221 56.3654 40.7566 174.6667 112 Y 5.4307 9.0716 121.1636 55.7278 42.0820 174.2760 113 R 4.3360 9.1483 120.3994 54.5436 34.4908 175.3388 *115 K 4.1321 8.5478 117.5740 57.2831 32.9287 175.4053 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 N 8.42 4.54 0.00 2.69 2.84 0.00 0.00 6.97 6.89 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 3 L 8.44 4.02 0.00 1.72 1.61 0.93 0.66 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 4 N 8.80 5.24 0.00 2.83 2.98 0.00 0.00 5.56 7.44 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 5 Q 8.04 5.01 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 6 L 8.88 4.78 0.00 1.75 1.42 0.87 0.78 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 7 D 8.76 4.96 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.11 4.29 1.73 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.57 0.00 0.00 9 I 8.39 4.72 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.96 0.00 0.00 10 V 8.56 4.72 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 0.92 0.00 0.00 0.95 0.00 0.00 11 S 8.87 4.21 0.00 3.86 3.90 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 12 N 7.68 4.97 0.00 2.72 2.65 0.00 0.00 6.83 7.71 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 13 V 8.06 3.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 14 P 0.00 4.13 0.00 2.20 2.08 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 15 Q 8.00 4.01 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 16 V 8.00 3.57 2.10 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 1.00 0.00 0.00 0.97 0.00 0.00 17 C 8.89 4.24 0.00 3.08 3.17 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 18 A 8.11 4.18 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 19 D 8.39 4.40 0.00 2.87 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 20 L 8.28 3.88 0.00 1.75 1.06 0.60 0.59 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 21 E 8.64 4.96 0.00 2.13 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 2.78 2.77 0.00 22 H 7.85 4.26 0.00 3.31 3.37 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.48 3.90 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 1.13 0.00 0.00 24 L 8.49 4.40 0.00 1.77 1.78 0.48 1.06 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 25 D 7.80 4.66 0.00 2.73 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 26 K 7.39 4.70 0.00 2.06 1.91 0.00 1.45 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.64 7.81 27 K 8.48 4.55 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.37 7.81 28 A 8.39 3.02 0.72 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 29 D 8.36 4.49 0.00 2.79 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 30 Y 7.42 4.71 0.00 3.04 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 31 A 6.79 4.62 0.96 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 0.00 0.00 32 N 8.88 5.01 0.00 2.85 2.88 0.00 0.00 6.76 7.98 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 33 D 8.87 4.42 0.00 2.70 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 34 G 8.71 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 0.00 0.00 0.00 0.00 35 F 8.21 5.41 0.00 3.16 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 36 A 7.84 4.87 1.02 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.08 4.56 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 38 F 9.28 4.99 0.00 3.05 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 39 T 7.94 4.88 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 1.27 0.00 0.00 40 I 8.73 4.57 1.90 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 1.28 1.08 0.92 0.00 0.00 41 G 8.65 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 0.00 0.00 0.00 0.00 42 S 9.24 4.70 0.00 3.82 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 43 H 7.81 5.15 0.00 3.15 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 9.23 5.27 0.00 2.86 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 45 L 8.51 5.45 0.00 1.69 1.49 0.87 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *47 L 8.20 4.50 0.00 1.59 1.58 0.99 0.54 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 48 S 9.01 5.05 0.00 3.94 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 49 Q 9.14 4.77 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.19 0.00 50 N 8.29 4.47 0.00 2.77 2.79 0.00 0.00 6.89 7.89 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 51 H 8.44 4.77 0.00 3.16 3.56 0.00 5.81 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.53 4.05 0.00 1.63 1.77 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.31 4.61 2.10 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 0.84 0.00 0.00 0.95 0.00 0.00 54 P 0.00 4.51 0.00 2.20 2.07 0.00 3.85 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 2.00 1.96 0.00 55 L 7.70 4.37 0.00 1.70 1.65 0.67 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.55 4.33 0.00 1.95 1.87 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 2.25 2.30 0.00 57 N 8.67 4.46 0.00 2.78 2.83 0.00 0.00 6.87 7.45 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 58 F 9.26 4.01 0.00 2.90 3.09 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 59 Q 6.98 4.07 0.00 1.87 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.36 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 60 S 6.63 4.50 0.00 3.67 3.57 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 61 G 9.61 4.09 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 0.00 0.00 0.00 62 I 7.86 4.82 1.86 0.00 0.00 0.52 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 0.86 1.07 0.00 0.00 63 I 8.29 4.80 1.79 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 1.29 0.66 0.58 0.00 0.00 64 I 8.44 4.21 1.67 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.85 0.76 0.00 0.00 65 H 8.72 5.15 0.00 2.91 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 9.08 4.42 1.44 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.72 0.91 0.00 0.00 67 E 8.78 4.05 0.00 1.60 1.66 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 1.92 1.47 0.00 68 V 8.40 4.55 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 0.98 0.00 0.00 1.03 0.00 0.00 69 E 9.01 3.95 0.00 1.96 2.01 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 2.30 2.30 0.00 70 D 7.73 4.59 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.69 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 1.12 0.00 0.00 1.02 0.00 0.00 72 D 8.17 4.43 0.00 2.76 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 73 Q 8.22 3.92 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 74 N 7.75 4.16 0.00 2.81 2.36 0.00 0.00 6.75 7.36 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 75 Y 8.14 4.20 0.00 3.03 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 76 K 7.99 3.61 0.00 1.94 1.99 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.39 7.81 77 R 7.83 3.80 0.00 1.85 2.07 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 78 L 8.02 3.91 0.00 1.65 1.66 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.23 4.18 0.00 2.55 2.64 0.00 0.00 6.67 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 80 E 8.08 3.83 0.00 2.01 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 2.28 2.30 0.00 81 L 7.75 4.08 0.00 1.77 1.70 0.95 0.98 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 82 G 7.48 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 0.00 0.00 0.00 83 I 7.29 3.88 1.99 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 1.13 0.57 0.95 0.00 0.00 84 K 8.76 4.04 0.00 1.85 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.46 7.81 85 V 8.40 4.47 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 1.07 0.00 0.00 1.10 0.00 0.00 86 L 9.31 4.39 0.00 1.44 1.60 0.90 0.89 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 87 H 8.06 4.73 0.00 3.03 3.14 0.00 5.63 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 88 G 8.83 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 0.00 0.00 0.00 0.00 89 P 0.00 4.74 0.00 1.75 1.96 0.00 2.87 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 1.56 1.46 0.00 90 T 8.84 4.91 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 1.21 0.00 0.00 91 V 8.06 5.11 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 0.75 0.00 0.00 1.00 0.00 0.00 92 T 8.69 4.40 4.61 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 0.00 0.00 0.00 1.38 0.00 0.00 93 D 8.23 4.10 0.00 2.12 1.54 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 94 W 8.26 4.54 0.00 3.49 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.30 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 0.00 0.00 0.00 96 T 7.85 4.61 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 1.39 0.00 0.00 97 E 9.63 5.15 0.00 2.04 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 2.31 2.33 0.00 98 S 9.40 5.37 0.00 4.28 4.01 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 99 L 9.00 5.08 0.00 1.78 1.83 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.61 5.17 0.00 1.62 1.52 0.96 0.88 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 0.00 101 V 8.82 4.94 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 0.88 0.00 0.00 1.17 0.00 0.00 102 Q 9.16 4.27 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 103 G 8.94 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 0.00 0.00 0.00 104 P 0.00 4.51 0.00 2.24 2.33 0.00 3.80 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 2.03 1.93 0.00 105 A 9.40 3.77 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 0.00 106 G 8.48 4.33 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 0.00 107 L 8.00 4.31 0.00 1.68 1.49 0.77 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.95 4.77 2.23 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 1.07 0.00 0.00 0.95 0.00 0.00 109 L 8.76 5.06 0.00 1.57 1.08 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.68 5.26 0.00 2.58 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 0.00 0.00 0.00 111 F 9.40 5.34 0.00 3.01 3.02 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 0.00 0.00 0.00 0.00 112 Y 9.07 5.43 0.00 3.26 3.35 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 0.00 113 R 9.15 4.34 0.00 1.78 1.80 0.00 3.11 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 *115 K 8.55 4.13 0.00 1.98 2.06 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.