NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2581 8.3144 119.9988 56.1230 33.8546 175.1868 2 E 3.7480 8.8561 124.4684 55.0271 30.1555 175.6554 3 T 4.2741 8.7233 118.2653 61.0925 72.3146 175.0786 4 A 4.0194 8.5449 123.6108 55.3342 18.5258 180.0196 5 A 3.9255 7.9971 118.5036 55.3484 18.5080 179.5413 6 A 4.0229 8.2346 119.4095 55.1090 18.3855 179.8212 7 K 4.0165 8.2085 118.2541 59.5767 32.3206 178.7268 8 F 4.1523 8.2723 120.9331 61.5206 39.2826 176.9657 9 E 4.0081 8.3647 117.8408 59.4031 29.0371 179.3625 10 R 3.8970 8.0591 117.9908 59.5704 30.2485 178.2815 11 Q 4.0347 8.2427 117.1682 58.3028 29.0110 176.4298 12 H 4.6429 7.9988 113.5822 53.7048 31.8742 173.1617 13 M 4.6075 7.9314 118.5950 53.8519 32.6050 176.2794 14 D 4.8548 8.4194 123.9876 52.2526 40.6146 174.9810 15 S 4.4560 8.1679 116.7997 57.7982 64.2797 174.8042 16 S 4.2945 8.6894 119.7250 59.2195 63.0324 174.4897 17 T 4.5153 8.1590 111.7994 61.5076 70.4441 174.9603 *23 S 4.4907 8.1671 117.1424 58.5705 64.6057 174.5558 24 N 4.7108 7.9205 115.2813 53.5249 38.8631 175.2904 25 Y 3.9802 8.0450 120.9617 62.0697 38.6771 179.0174 26 C 4.4588 8.6018 116.9506 59.8479 38.5436 175.8419 27 N 4.3823 8.1807 117.7587 56.4177 37.7828 176.8198 28 Q 4.0255 7.6525 120.9496 59.4670 28.5805 178.1977 29 M 4.0105 7.3428 118.4002 57.6413 32.0807 178.5448 30 M 3.8517 8.0346 119.0419 57.9621 32.0410 179.0296 31 K 4.5107 7.4209 119.7288 59.1020 32.1412 179.2345 32 S 4.1554 7.1285 114.3982 61.3425 62.7490 175.6861 33 R 4.4153 7.2005 117.3249 55.4520 29.8690 175.8464 34 N 4.2493 7.7352 113.1874 54.7154 36.4687 175.0413 35 L 4.5525 7.7267 117.6561 55.0500 43.2368 178.2414 36 T 5.3386 7.6519 106.9575 60.3522 69.4752 175.8048 37 K 4.0412 8.3880 124.3440 59.5669 32.4271 177.2604 38 D 4.7216 7.9261 116.0760 55.1609 42.4932 176.0393 39 R 3.6889 7.2223 113.0145 55.0832 31.7328 174.6514 40 C 4.7747 8.6355 116.5519 55.5451 39.5794 173.8294 41 K 4.1237 8.3928 127.4848 55.9241 32.3447 174.7637 42 P 4.7656 0.0000 0.0000 64.6568 32.3387 176.6136 43 V 5.1126 7.6543 116.7410 61.2430 34.7419 174.1405 44 N 4.8888 9.1587 124.7573 52.3789 42.5304 172.8000 45 T 4.7653 7.9093 120.7731 61.6399 71.5981 172.8739 46 F 4.8569 8.7510 124.7031 55.6888 42.0220 174.6776 47 V 4.4364 8.7024 122.7527 60.8712 33.7238 175.8676 48 H 5.6413 8.6462 126.6887 56.0445 28.1932 173.3883 49 E 4.7887 7.9987 116.2364 53.6973 33.2812 176.8805 50 S 4.3867 8.2484 114.5106 58.1738 64.9844 174.7826 51 L 3.9926 8.5686 124.3967 58.4510 41.8506 179.1971 52 A 3.9946 7.9995 120.0984 55.4381 18.1677 179.2410 53 D 4.3650 7.8897 116.1250 57.2659 41.1123 178.9272 54 V 3.8139 7.7335 118.6905 66.0269 31.7585 178.0435 55 Q 3.8957 8.3779 117.7974 58.9784 28.5545 178.8019 56 A 4.0494 8.1509 121.4527 54.8404 18.2502 179.7454 57 V 3.5221 7.6606 117.0497 66.0894 31.3052 177.2576 58 C 3.8098 7.7765 114.9459 58.6467 39.9483 174.4075 59 S 4.5768 7.6179 114.9167 58.2688 63.7412 174.9986 60 Q 4.4130 7.7457 123.1579 55.5023 27.8665 176.2191 61 K 4.2130 7.5856 126.0645 56.8761 33.2130 176.3311 62 N 3.9220 8.7584 127.3257 53.7132 39.6203 174.2256 63 V 4.5710 8.3387 118.5476 59.0816 36.6945 174.9058 64 A 4.2386 8.3828 125.0304 52.0280 19.0983 178.6341 65 C 4.6547 9.2623 120.1668 56.4023 41.0251 175.1895 66 K 3.8020 9.2901 121.9135 59.6495 31.6168 178.3434 67 N 4.4680 7.9711 113.5056 53.2946 37.7821 175.7122 68 G 4.0253 7.8949 107.2148 45.2628 0.0000 174.3033 69 Q 4.1455 8.6494 119.7715 56.4907 29.1686 176.8763 70 T 4.6204 8.3679 109.1674 61.5285 69.5165 173.6130 71 N 5.0556 7.9174 119.2316 53.7850 38.4643 175.1801 72 C 5.3625 7.6064 115.0840 57.0399 41.4426 172.7389 73 Y 5.0038 8.9045 118.2486 56.3581 41.8356 174.0797 74 Q 5.0550 8.7526 125.3099 54.1692 31.3356 174.8428 75 S 4.4195 8.5453 121.4881 58.5889 63.2752 174.2015 76 Y 4.3441 8.9761 121.7090 60.7354 37.8997 176.5817 77 S 4.7976 7.8506 112.3836 56.6234 64.1189 173.2644 78 T 4.2965 8.0697 114.2806 62.1149 69.6856 173.2803 79 M 4.9432 9.0320 121.3339 53.3095 36.9354 174.7448 80 S 4.8171 9.2479 117.3583 58.4759 63.6209 173.1240 81 I 5.0485 8.7747 119.7746 59.5644 41.7736 174.0571 82 T 4.8258 8.6564 119.5925 61.8775 71.4294 172.9342 83 D 4.9310 8.6751 126.7922 53.7775 42.6667 174.7780 84 C 5.3742 9.4348 121.5644 55.3457 40.9584 173.1145 85 R 5.3036 8.6680 122.7607 53.9927 33.6173 174.8775 86 E 3.9628 8.9978 123.5725 57.2029 30.8232 177.5441 87 T 4.3466 8.3991 114.1896 60.1252 70.4556 176.1047 88 G 3.6090 8.4582 110.4286 48.5845 0.0000 174.8403 89 S 4.3489 7.3755 113.4787 58.9934 63.2603 174.4767 90 S 4.0632 7.6467 116.6971 57.9607 62.7299 173.5694 91 K 4.2108 8.6356 126.9971 55.5101 34.6277 174.0197 92 Y 4.2229 8.7790 128.2604 57.7009 39.0333 174.0470 93 P 2.9700 0.0000 0.0000 62.5961 32.1739 176.7156 94 N 4.5748 7.6356 119.5621 52.3752 36.9455 173.8963 95 C 4.6826 7.8684 117.8693 56.8724 42.0081 172.9876 96 A 5.0426 8.3485 122.3475 51.2682 22.5836 175.0394 97 Y 5.1584 9.3263 117.9292 56.1102 42.1682 174.9671 98 K 4.4218 9.2753 125.1305 56.1193 33.9496 175.3435 99 T 4.8330 8.5237 123.6098 62.6065 70.4804 174.3198 100 T 4.5490 8.4420 122.1390 61.7331 71.9910 173.4145 101 Q 4.6089 8.7707 125.7844 55.9319 29.8937 175.3772 102 A 4.6658 8.8176 123.3524 50.9835 23.7880 174.8790 103 N 5.3404 8.6941 115.4199 51.6179 40.7075 174.3291 104 K 4.7384 8.6990 121.8241 54.2892 37.4317 175.7900 105 H 4.8335 8.8020 119.8646 56.2263 29.9042 174.6966 106 I 4.8068 8.5454 115.7588 59.3853 40.5058 174.3992 107 I 4.9079 8.1515 124.6684 59.6716 40.1103 175.0304 108 V 4.7607 8.4367 119.2373 59.3293 35.8617 174.5586 109 A 4.9832 8.6556 125.4460 51.3838 20.3247 175.7829 110 C 5.1454 8.5697 118.5388 55.3264 37.6889 173.4064 111 E 4.7627 8.6726 119.5771 56.2402 34.3681 175.2669 112 G 4.1841 9.7490 107.6129 44.7717 0.0000 171.7499 113 N 5.0751 8.1565 115.9818 50.6674 40.7617 172.2132 114 P 4.3224 0.0000 0.0000 62.8232 31.9470 175.5291 115 Y 4.7343 8.2879 121.4380 57.0198 38.9337 174.6548 116 V 4.4138 8.0313 118.9494 58.4607 36.7995 173.4076 117 P 4.3859 0.0000 0.0000 62.8924 31.1446 176.9691 118 V 4.4114 8.4530 116.0220 61.3521 33.6512 175.2988 119 H 4.9940 7.7792 120.5837 54.8466 33.4793 171.6247 120 F 4.6046 8.8173 128.4545 57.5571 39.2997 174.2410 121 D 4.6207 8.3677 126.9218 56.1270 42.0382 175.9009 122 A 4.6542 6.6181 117.0368 51.3140 22.5012 174.9651 123 S 5.1900 8.7555 113.0981 56.7738 66.3995 174.5968 124 V 4.1449 8.4921 114.4116 61.8006 32.7335 175.0905 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 K 8.31 4.26 0.00 1.89 1.91 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.86 3.75 0.00 2.04 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 2.38 0.00 3 T 8.72 4.27 4.26 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 1.22 0.00 0.00 4 A 8.54 4.02 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 5 A 8.00 3.93 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 6 A 8.23 4.02 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 7 K 8.21 4.02 0.00 1.90 2.04 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.46 7.81 8 F 8.27 4.15 0.00 3.25 3.23 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 9 E 8.36 4.01 0.00 2.31 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 2.51 2.68 0.00 10 R 8.06 3.90 0.00 1.80 2.11 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 8.24 4.03 0.00 1.61 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 12 H 8.00 4.64 0.00 2.07 2.68 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.93 4.61 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 14 D 8.42 4.85 0.00 2.56 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 15 S 8.17 4.46 0.00 3.83 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 16 S 8.69 4.29 0.00 3.87 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 17 T 8.16 4.52 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 1.28 0.00 0.00 *23 S 8.17 4.49 0.00 3.93 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 24 N 7.92 4.71 0.00 2.84 2.77 0.00 0.00 6.76 7.56 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 25 Y 8.05 3.98 0.00 3.14 2.98 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 26 C 8.60 4.46 0.00 3.19 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 27 N 8.18 4.38 0.00 2.75 2.91 0.00 0.00 6.77 7.74 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 28 Q 7.65 4.03 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 29 M 7.34 4.01 0.00 1.12 1.39 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 30 M 8.03 3.85 0.00 1.66 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 2.54 0.00 31 K 7.42 4.51 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 32 S 7.13 4.16 0.00 4.00 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 33 R 7.20 4.42 0.00 1.73 2.07 0.00 3.59 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 34 N 7.74 4.25 0.00 2.90 2.91 0.00 0.00 6.77 7.60 0.00 0.00 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 L 7.73 4.55 0.00 1.84 1.65 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.65 5.34 4.41 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 1.44 0.00 0.00 37 K 8.39 4.04 0.00 1.79 1.92 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.52 7.81 38 D 7.93 4.72 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.22 3.69 0.00 1.81 1.71 0.00 2.88 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 40 C 8.64 4.77 0.00 3.09 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 41 K 8.39 4.12 0.00 1.69 1.78 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.44 7.81 42 P 0.00 4.77 0.00 2.16 2.12 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 43 V 7.65 5.11 2.11 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 0.79 0.00 0.00 0.98 0.00 0.00 44 N 9.16 4.89 0.00 2.63 2.22 0.00 0.00 6.77 6.75 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 45 T 7.91 4.77 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 0.87 0.00 0.00 46 F 8.75 4.86 0.00 2.90 2.85 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 0.00 0.00 0.00 47 V 8.70 4.44 2.12 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 1.05 0.00 0.00 0.98 0.00 0.00 48 H 8.65 5.64 0.00 3.05 3.23 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.00 4.79 0.00 1.96 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 2.23 2.24 0.00 50 S 8.25 4.39 0.00 4.07 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 0.00 51 L 8.57 3.99 0.00 1.83 1.75 1.04 1.06 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 52 A 8.00 3.99 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 53 D 7.89 4.37 0.00 2.85 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 54 V 7.73 3.81 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 1.24 0.00 0.00 1.04 0.00 0.00 55 Q 8.38 3.90 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 56 A 8.15 4.05 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 57 V 7.66 3.52 2.12 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 1.03 0.00 0.00 0.95 0.00 0.00 58 C 7.78 3.81 0.00 2.93 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 59 S 7.62 4.58 0.00 3.96 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 60 Q 7.75 4.41 0.00 1.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 61 K 7.59 4.21 0.00 1.90 1.59 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 62 N 8.76 3.92 0.00 2.62 2.59 0.00 0.00 7.00 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 63 V 8.34 4.57 1.99 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 0.69 0.00 0.00 0.79 0.00 0.00 64 A 8.38 4.24 1.19 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 0.00 0.00 65 C 9.26 4.65 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 66 K 9.29 3.80 0.00 1.70 1.89 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 67 N 7.97 4.47 0.00 2.82 2.93 0.00 0.00 6.28 7.00 0.00 0.00 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 G 7.89 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 0.00 0.00 0.00 69 Q 8.65 4.15 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 70 T 8.37 4.62 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 1.24 0.00 0.00 71 N 7.92 5.06 0.00 3.00 3.17 0.00 0.00 6.10 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 72 C 7.61 5.36 0.00 3.06 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 73 Y 8.90 5.00 0.00 2.82 2.93 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 74 Q 8.75 5.06 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 75 S 8.55 4.42 0.00 3.94 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 76 Y 8.98 4.34 0.00 3.05 2.98 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 77 S 7.85 4.80 0.00 3.91 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 78 T 8.07 4.30 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 0.94 0.00 0.00 79 M 9.03 4.94 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 80 S 9.25 4.82 0.00 3.92 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 81 I 8.77 5.05 1.81 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 1.38 0.71 1.03 0.00 0.00 82 T 8.66 4.83 4.15 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 1.16 0.00 0.00 83 D 8.68 4.93 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.43 5.37 0.00 2.83 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 85 R 8.67 5.30 0.00 1.73 1.84 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 86 E 9.00 3.96 0.00 1.87 1.75 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 1.72 2.15 0.00 87 T 8.40 4.35 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 1.22 0.00 0.00 88 G 8.46 3.61 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 0.00 0.00 0.00 89 S 7.38 4.35 0.00 3.83 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 90 S 7.65 4.06 0.00 3.85 3.74 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 91 K 8.64 4.21 0.00 1.79 1.59 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.36 7.81 92 Y 8.78 4.22 0.00 2.98 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 93 P 0.00 2.97 0.00 1.71 1.13 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 94 N 7.64 4.57 0.00 2.73 2.75 0.00 0.00 7.00 7.72 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 95 C 7.87 4.68 0.00 3.12 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 96 A 8.35 5.04 1.11 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 97 Y 9.33 5.16 0.00 2.92 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 98 K 9.28 4.42 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 99 T 8.52 4.83 4.41 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 1.25 0.00 0.00 100 T 8.44 4.55 4.26 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 1.22 0.00 0.00 101 Q 8.77 4.61 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 102 A 8.82 4.67 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 0.00 103 N 8.69 5.34 0.00 2.54 2.74 0.00 0.00 6.65 7.61 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 0.00 104 K 8.70 4.74 0.00 1.70 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 105 H 8.80 4.83 0.00 3.11 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.55 4.81 1.77 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 1.12 0.00 0.00 107 I 8.15 4.91 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.84 0.00 0.00 108 V 8.44 4.76 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 0.67 0.00 0.00 0.81 0.00 0.00 109 A 8.66 4.98 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 0.00 110 C 8.57 5.15 0.00 1.88 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 0.00 0.00 0.00 0.00 111 E 8.67 4.76 0.00 1.82 1.79 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 2.26 2.23 0.00 112 G 9.75 4.18 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 0.00 0.00 0.00 113 N 8.16 5.08 0.00 2.63 2.69 0.00 0.00 6.92 7.69 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 0.00 114 P 0.00 4.32 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.29 4.73 0.00 2.80 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 0.00 116 V 8.03 4.41 1.92 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 0.63 0.00 0.00 0.84 0.00 0.00 117 P 0.00 4.39 0.00 0.49 1.13 0.00 3.28 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 118 V 8.45 4.41 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 0.57 0.00 0.00 0.94 0.00 0.00 119 H 7.78 4.99 0.00 3.25 3.11 0.00 5.85 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 0.00 120 F 8.82 4.60 0.00 2.67 2.56 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 0.00 121 D 8.37 4.62 0.00 2.62 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 0.00 122 A 6.62 4.65 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.76 5.19 0.00 3.93 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 0.00 124 V 8.49 4.14 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 0.66 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.