NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4905 0.0000 0.0000 62.6200 33.3121 174.7018 2 L 5.1175 8.5105 121.0032 52.6466 44.1417 174.3002 3 L 4.9300 9.1296 122.9258 53.2335 45.6897 175.1929 4 S 5.0809 8.4001 115.0196 57.0448 65.6595 172.9207 5 A 4.8647 9.1794 127.5316 50.2867 22.3884 175.0624 6 S 4.9431 8.4051 114.1537 56.8130 66.5190 172.8669 7 I 4.6955 8.3498 113.8336 59.3882 40.9831 175.8701 8 V 4.5701 7.8732 112.8782 60.5341 32.8065 175.0527 9 S 4.8215 7.5502 112.1414 58.0927 64.9651 174.8221 10 A 4.8202 8.7630 121.5363 49.6613 22.2210 174.5804 11 P 4.4327 0.0000 0.0000 62.4686 32.3857 176.6160 12 V 3.6995 8.2969 122.8965 62.7760 32.0653 175.8582 13 V 4.4793 7.8218 119.0406 59.7391 35.4973 174.3340 14 T 4.3883 8.0782 118.2170 61.7021 71.1841 173.9580 15 S 4.4114 8.4285 119.9329 56.9542 65.7318 174.6490 16 E 3.8340 8.9033 129.2644 58.3786 29.7307 176.2082 17 T 4.4956 7.2478 106.6386 59.2013 71.8537 173.9173 18 Y 4.6859 8.3659 120.1172 58.6422 38.4169 176.3971 19 V 4.7025 9.0455 122.7040 59.5517 35.1926 174.8168 20 D 4.8203 8.8735 122.2359 54.9296 41.8467 176.1882 21 I 3.8553 8.5275 124.1756 59.4622 37.9903 173.9926 22 P 4.4491 0.0000 0.0000 64.3286 31.4418 176.5911 23 G 4.0603 9.1866 110.3664 45.1736 0.0000 173.7937 24 L 4.5845 7.6440 121.3066 53.1649 40.4777 174.8157 25 Y 5.3333 7.5266 118.4432 55.2005 41.8490 174.6908 26 L 4.5236 9.3939 121.2584 53.2244 45.1752 175.4570 27 D 5.1704 8.7365 124.6860 53.1556 40.3890 176.4823 28 V 3.6921 8.4479 125.1584 65.6792 32.7055 177.5654 29 A 4.0627 8.5061 122.5140 55.3825 18.0438 179.9105 30 K 4.0141 8.2079 115.1171 59.2840 32.1661 179.1277 31 A 4.1859 7.7403 119.6481 52.6577 18.3565 177.5954 32 G 3.6871 7.8250 105.0874 46.6638 0.0000 173.5092 33 I 4.2822 7.3891 120.9670 59.5524 38.1399 176.0380 34 R 4.6290 8.4895 121.9113 55.5462 31.8674 173.8423 35 D 4.6762 8.0020 116.4108 53.9756 45.0887 175.3842 36 G 3.9063 8.9390 107.0962 44.7088 0.0000 172.2142 37 K 5.0730 7.9609 118.5413 54.5241 36.8934 175.4238 38 L 5.1001 8.6116 121.9385 53.0043 44.9312 175.4709 39 Q 4.5718 8.9776 125.9436 55.4494 30.3052 174.3492 40 V 4.8769 9.1126 127.3522 61.2003 34.2793 174.2603 41 I 4.9691 8.7755 128.1947 59.4430 40.4725 173.9843 42 L 4.8411 8.9897 130.0811 53.5445 43.8581 174.4880 43 N 5.1238 9.2791 125.8819 52.1011 41.5824 172.9821 44 V 4.4427 8.9556 128.1765 60.4120 31.7496 173.9419 45 P 4.4481 0.0000 0.0000 64.5422 32.3401 177.1473 46 T 5.1725 7.5278 115.5954 62.2969 68.7269 172.1001 47 P 5.2688 0.0000 0.0000 62.8810 33.7844 174.9927 48 Y 5.6275 8.7482 117.2451 55.7535 41.3018 174.0270 49 A 5.2878 9.3347 121.5138 50.4345 22.0169 175.7710 50 T 4.6961 8.6203 110.4278 59.8289 72.1770 174.1469 51 G 4.2535 7.8689 110.2841 46.3474 0.0000 171.9232 52 N 4.7812 8.6130 114.7459 52.7929 38.2361 175.1966 53 N 4.5908 7.9812 116.0952 54.1139 40.1744 172.3292 54 F 4.0715 8.2784 121.4403 56.1631 36.8494 173.5077 55 P 4.5372 0.0000 0.0000 62.6011 33.5678 175.8858 56 G 3.7851 7.9477 107.4200 46.2153 0.0000 172.0667 57 I 4.5280 6.0770 118.9590 59.4414 41.4346 174.6929 58 Y 4.8681 8.5675 124.3111 57.0441 39.8707 174.6429 59 F 5.7245 9.3818 121.2230 55.8286 43.0506 174.0141 60 A 5.2312 9.2654 122.9883 50.3657 23.0395 174.7502 61 I 4.8347 8.5117 120.6383 59.8054 39.2961 174.9942 62 A 5.2690 9.1249 128.2729 50.4354 23.1188 174.8298 63 T 4.9847 8.6958 109.8394 58.5136 71.9161 174.4112 64 N 3.9909 7.4958 117.3916 55.3862 37.1534 175.6862 65 Q 4.0656 8.0322 116.7025 55.8029 29.4653 174.5559 66 G 3.8125 7.2131 103.9316 43.1796 0.0000 172.7822 67 V 4.0046 8.0809 119.9595 62.8053 31.9812 176.0737 68 V 4.0001 8.6065 126.8642 64.5224 32.5697 175.5500 69 A 4.8697 7.4845 118.6615 51.1752 22.3595 174.8143 70 D 5.1679 8.4687 118.4430 53.0849 42.8941 173.8699 71 G 4.5805 9.2820 105.4710 46.7025 0.0000 171.6304 72 C 5.3493 8.9327 113.5619 57.0433 32.7147 173.1876 73 F 5.3211 8.4399 114.5618 55.5120 40.4739 174.5052 74 T 4.8920 8.2462 108.9996 60.2295 71.7294 173.0848 75 Y 4.6342 8.6936 121.3876 58.3531 38.8315 175.9467 76 S 4.8916 9.0096 115.1747 58.5464 63.8734 174.4353 77 S 4.9516 7.7727 116.5580 56.1802 66.3954 174.8742 78 K 2.0000 8.2205 124.4372 58.3007 31.9074 176.6156 79 V 4.2974 6.9907 119.5515 59.6928 32.1744 172.7031 80 P 4.2857 0.0000 0.0000 62.0127 31.8687 176.7048 81 E 4.0110 8.6339 122.2327 58.8096 29.8585 177.1993 82 S 4.4497 7.4077 110.8403 56.4800 65.4266 173.8076 83 T 3.5909 8.1743 117.4919 60.2529 67.4695 174.6667 84 G 3.7897 7.9680 117.2146 45.4592 0.0000 171.3717 85 R 5.0477 7.9147 118.3718 53.9237 31.6981 174.2175 *87 P 4.5333 0.0000 0.0000 62.8044 32.5354 176.0752 88 F 4.7798 8.9392 123.6046 56.8677 42.6694 173.4463 89 T 5.0166 7.6679 121.1887 61.6493 72.5388 173.0157 90 L 4.6325 8.8049 126.1114 53.3365 45.7204 175.0629 91 V 4.9842 8.4847 125.0107 61.1311 34.1465 174.2404 92 A 4.8061 9.0729 128.1382 50.7840 23.1673 174.5487 93 T 5.1131 8.5163 116.3252 61.6422 71.0590 173.7774 94 I 4.5855 8.7626 119.6030 58.9967 41.2631 174.0315 95 D 4.9365 8.5148 123.9950 53.1439 41.0770 176.3170 96 V 3.7103 8.5951 127.8045 65.8272 31.6689 177.7299 97 G 3.7844 8.5636 109.6606 48.2744 0.0000 175.0781 98 S 4.1317 8.1045 113.0344 59.2460 62.8725 174.6210 99 G 4.1176 7.6114 110.3925 45.4949 0.0000 174.0126 100 V 3.8845 7.7372 119.9481 62.7279 32.2171 175.5885 101 T 4.7285 9.2946 116.8495 62.0637 71.3334 173.6604 102 F 5.4876 7.6187 115.4912 55.7357 41.7604 173.1458 103 V 4.9558 9.0980 119.0870 61.2582 34.5975 174.4479 104 K 5.1626 9.6366 126.1677 54.6250 36.6929 175.2565 105 G 4.2703 8.8636 110.6131 45.4389 0.0000 172.9001 106 Q 5.4681 9.1381 123.1932 53.9245 33.5102 174.1906 107 W 6.0786 9.5966 117.0696 55.4963 32.1567 173.7658 108 K 4.6957 8.7252 118.7131 55.4480 35.7553 175.4510 109 S 4.2968 8.5587 118.2547 58.5082 63.8693 174.0702 110 V 3.9065 8.1580 123.7961 62.2228 32.5664 176.4112 111 R 3.8743 9.6117 128.1659 57.4816 27.5671 177.0759 112 G 3.8762 8.2310 101.8013 45.7128 0.0000 174.2266 113 S 4.2864 7.7307 115.3064 58.3585 63.5887 174.7174 114 A 4.5050 8.2594 125.4404 50.8323 21.4240 175.2746 *116 H 4.7422 8.5453 112.0549 56.0381 30.4941 172.8770 117 I 5.0281 8.6976 123.8330 59.2263 40.2752 175.6480 118 D 4.7275 8.8119 125.2587 52.4736 40.2704 174.5197 119 S 4.7677 7.8812 113.0465 58.6703 65.7480 172.8509 120 Y 4.4348 8.7865 120.3010 58.9498 38.7500 175.6285 121 A 4.7995 8.1832 126.2675 50.7495 23.3385 174.9359 122 S 4.8538 8.9790 113.4775 56.7327 67.3820 172.7329 123 L 5.1561 8.9635 122.6441 53.6441 44.8896 175.3828 124 S 5.3491 9.1969 121.3380 56.9375 67.4501 172.9523 125 A 5.2221 9.0572 123.0763 50.7016 23.0167 175.0952 126 I 4.7814 8.6418 122.1669 59.1298 40.0436 175.0762 127 W 4.6738 8.9589 135.0000 57.6290 31.7534 175.9505 128 G 3.5219 7.0173 110.8377 46.0189 0.0000 171.9243 129 T 4.8102 7.9151 108.4046 59.2667 72.1280 173.8241 130 A 4.0215 8.3944 125.3107 51.5248 19.1594 177.6582 131 A 4.0946 8.3435 125.2873 51.3047 19.1066 175.9950 132 P 4.4063 0.0000 0.0000 62.7363 32.1591 175.6619 133 S 4.7796 8.3631 114.3019 56.5431 64.6546 174.0792 134 S 4.3889 8.4773 118.9462 58.4290 62.9508 173.8822 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 P 0.00 4.49 0.00 2.11 2.17 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 2 L 8.51 5.12 0.00 1.60 1.61 0.97 0.63 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 3 L 9.13 4.93 0.00 1.55 1.52 0.97 0.50 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 4 S 8.40 5.08 0.00 3.83 3.66 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 5 A 9.18 4.86 1.05 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 0.00 0.00 6 S 8.41 4.94 0.00 3.43 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 7 I 8.35 4.70 1.80 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 1.03 0.78 0.88 0.00 0.00 8 V 7.87 4.57 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 1.07 0.00 0.00 0.96 0.00 0.00 9 S 7.55 4.82 0.00 3.86 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 10 A 8.76 4.82 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 11 P 0.00 4.43 0.00 2.02 2.04 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 12 V 8.30 3.70 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 0.50 0.00 0.00 0.85 0.00 0.00 13 V 7.82 4.48 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 1.01 0.00 0.00 0.72 0.00 0.00 14 T 8.08 4.39 4.14 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 0.00 0.00 1.19 0.00 0.00 15 S 8.43 4.41 0.00 3.70 3.50 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 16 E 8.90 3.83 0.00 1.89 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 2.19 2.20 0.00 17 T 7.25 4.50 4.20 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 1.13 0.00 0.00 18 Y 8.37 4.69 0.00 2.93 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 19 V 9.05 4.70 2.15 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 1.00 0.00 0.00 1.01 0.00 0.00 20 D 8.87 4.82 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.53 3.86 1.59 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 0.39 0.00 0.00 22 P 0.00 4.45 0.00 2.18 2.08 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 23 G 9.19 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 0.00 0.00 0.00 24 L 7.64 4.58 0.00 1.67 1.56 0.76 0.34 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 25 Y 7.53 5.33 0.00 2.81 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 26 L 9.39 4.52 0.00 1.60 1.61 0.94 0.86 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 27 D 8.74 5.17 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 28 V 8.45 3.69 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 0.98 0.00 0.00 1.07 0.00 0.00 29 A 8.51 4.06 1.42 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 0.00 0.00 0.00 30 K 8.21 4.01 0.00 1.94 1.91 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.73 7.81 31 A 7.74 4.19 1.39 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 0.00 0.00 0.00 32 G 7.82 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 33 I 7.39 4.28 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 1.07 0.58 1.03 0.00 0.00 34 R 8.49 4.63 0.00 2.00 1.90 0.00 3.32 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 35 D 8.00 4.68 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.94 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 37 K 7.96 5.07 0.00 1.47 1.52 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.24 7.81 38 L 8.61 5.10 0.00 1.58 1.57 1.00 1.09 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 39 Q 8.98 4.57 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 40 V 9.11 4.88 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 0.99 0.00 0.00 0.95 0.00 0.00 41 I 8.78 4.97 1.87 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 1.10 0.56 0.90 0.00 0.00 42 L 8.99 4.84 0.00 1.78 1.61 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.28 5.12 0.00 2.78 2.66 0.00 0.00 6.15 7.31 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 44 V 8.96 4.44 1.64 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 1.08 0.00 0.00 0.67 0.00 0.00 45 P 0.00 4.45 0.00 2.32 2.34 0.00 3.87 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 46 T 7.53 5.17 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 1.29 0.00 0.00 47 P 0.00 5.27 0.00 2.69 2.63 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 48 Y 8.75 5.63 0.00 3.20 2.99 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 49 A 9.33 5.29 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 50 T 8.62 4.70 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 1.37 0.00 0.00 51 G 7.87 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 0.00 0.00 0.00 0.00 52 N 8.61 4.78 0.00 2.77 2.89 0.00 0.00 5.64 8.04 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 53 N 7.98 4.59 0.00 2.67 2.78 0.00 0.00 7.18 7.02 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 54 F 8.28 4.07 0.00 3.20 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 55 P 0.00 4.54 0.00 2.47 2.09 0.00 3.90 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 56 G 7.95 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 57 I 6.08 4.53 1.27 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.80 0.11 0.00 0.00 58 Y 8.57 4.87 0.00 2.81 2.88 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 59 F 9.38 5.72 0.00 2.48 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 60 A 9.27 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.51 4.83 1.90 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 1.20 0.79 0.94 0.00 0.00 62 A 9.12 5.27 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.70 4.98 4.02 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 1.15 0.00 0.00 64 N 7.50 3.99 0.00 2.65 2.27 0.00 0.00 5.92 7.39 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 65 Q 8.03 4.07 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 66 G 7.21 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 67 V 8.08 4.00 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 0.74 0.00 0.00 0.77 0.00 0.00 68 V 8.61 4.00 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 0.81 0.00 0.00 0.96 0.00 0.00 69 A 7.48 4.87 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 70 D 8.47 5.17 0.00 3.06 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 71 G 9.28 4.58 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 0.00 0.00 0.00 72 C 8.93 5.35 0.00 2.46 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 0.00 0.00 0.00 0.00 73 F 8.44 5.32 0.00 3.18 3.37 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 74 T 8.25 4.89 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 0.99 0.00 0.00 75 Y 8.69 4.63 0.00 3.05 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 76 S 9.01 4.89 0.00 3.98 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 77 S 7.77 4.95 0.00 3.82 3.65 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 78 K 8.22 2.00 0.00 1.08 1.43 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.18 1.00 7.81 79 V 6.99 4.30 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 0.82 0.00 0.00 0.81 0.00 0.00 80 P 0.00 4.29 0.00 1.82 1.68 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.82 0.00 81 E 8.63 4.01 0.00 1.86 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 2.26 2.32 0.00 82 S 7.41 4.45 0.00 3.72 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 83 T 8.17 3.59 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 G 7.97 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 85 R 7.91 5.05 0.00 1.83 1.96 0.00 3.84 0.00 0.00 3.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 *87 P 0.00 4.53 0.00 2.05 2.05 0.00 3.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.17 0.00 88 F 8.94 4.78 0.00 3.21 2.68 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 0.00 0.00 0.00 0.00 89 T 7.67 5.02 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 1.16 0.00 0.00 90 L 8.80 4.63 0.00 1.84 1.59 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.48 4.98 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 0.84 0.00 0.00 0.89 0.00 0.00 92 A 9.07 4.81 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 93 T 8.52 5.11 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 1.21 0.00 0.00 94 I 8.76 4.59 1.86 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 1.23 0.72 0.90 0.00 0.00 95 D 8.51 4.94 0.00 2.66 2.61 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 0.00 96 V 8.60 3.71 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 0.88 0.00 0.00 1.04 0.00 0.00 97 G 8.56 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 98 S 8.10 4.13 0.00 3.97 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 0.00 99 G 7.61 4.12 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 0.00 0.00 0.00 100 V 7.74 3.88 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 0.84 0.00 0.00 0.87 0.00 0.00 101 T 9.29 4.73 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 1.26 0.00 0.00 102 F 7.62 5.49 0.00 3.21 3.19 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 0.00 103 V 9.10 4.96 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 1.03 0.00 0.00 0.99 0.00 0.00 104 K 9.64 5.16 0.00 1.79 1.67 0.00 1.46 0.00 0.00 1.81 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.38 7.81 105 G 8.86 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 0.00 0.00 0.00 106 Q 9.14 5.47 0.00 1.84 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 107 W 9.60 6.08 0.00 3.06 2.95 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 0.00 108 K 8.73 4.70 0.00 1.64 1.51 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.46 0.99 7.81 109 S 8.56 4.30 0.00 3.61 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 0.00 110 V 8.16 3.91 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 0.81 0.00 0.00 0.25 0.00 0.00 111 R 9.61 3.87 0.00 1.96 1.97 0.00 3.46 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 112 G 8.23 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 0.00 0.00 0.00 113 S 7.73 4.29 0.00 3.82 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 0.00 114 A 8.26 4.51 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 *116 H 8.55 4.74 0.00 2.14 2.76 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.70 5.03 1.96 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 0.96 0.00 0.00 118 D 8.81 4.73 0.00 2.82 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 0.00 119 S 7.88 4.77 0.00 3.96 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 0.00 120 Y 8.79 4.43 0.00 3.01 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 0.00 121 A 8.18 4.80 1.09 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 0.00 122 S 8.98 4.85 0.00 3.85 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 0.00 123 L 8.96 5.16 0.00 1.67 1.44 0.99 1.02 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 0.00 124 S 9.20 5.35 0.00 3.77 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 0.00 125 A 9.06 5.22 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 0.00 126 I 8.64 4.78 1.89 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 1.15 0.77 0.95 0.00 0.00 127 W 8.96 4.67 0.00 3.32 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 0.00 128 G 7.02 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.92 4.81 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 0.91 0.00 0.00 130 A 8.39 4.02 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 0.00 131 A 8.34 4.09 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 0.00 132 P 0.00 4.41 0.00 2.19 2.06 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 133 S 8.36 4.78 0.00 3.81 3.75 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 0.00 134 S 8.48 4.39 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.