NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9263 8.3549 109.7206 45.7183 0.0000 175.2688 17 I 3.5751 7.0682 121.7318 62.7352 37.5137 175.9235 18 T 3.8729 7.7724 116.7882 62.7554 70.0333 174.5899 19 G 3.5785 7.3243 112.6956 45.2339 0.0000 170.8104 20 T 4.8834 7.5452 116.3140 61.6422 70.9449 174.0518 21 W 5.3798 9.0183 124.7738 55.1417 33.7114 173.8697 22 Y 5.7822 9.1652 119.8884 56.5678 41.5985 174.9533 23 N 6.0688 9.1307 120.2349 50.3500 40.2113 175.4233 24 Q 4.1113 8.6983 115.6454 58.3125 28.7745 176.8230 25 L 4.2427 8.1435 117.2804 55.1457 42.2795 177.3793 26 G 3.8900 8.3329 107.1767 44.9967 0.0000 173.5593 27 S 4.6263 8.3993 114.6855 58.2818 64.0774 172.8486 28 T 5.3198 8.6510 121.5912 61.7873 71.0593 172.9974 29 F 5.0844 9.3164 129.0622 56.4050 42.1552 173.6598 30 I 4.7023 8.7460 128.0740 59.3676 39.4964 175.2173 31 V 4.5693 8.1735 125.9540 59.9749 35.2912 174.4764 32 T 4.6487 8.8069 118.7043 61.7015 71.6777 172.7671 33 A 4.5978 8.7366 129.5914 50.3590 19.7627 177.2772 34 G 3.8636 9.3180 112.1884 44.9611 0.0000 174.3056 35 A 4.1254 8.5232 123.1859 54.4011 18.5099 178.2877 36 D 4.5305 8.1068 113.5968 53.3587 39.9657 177.3354 37 G 3.3547 8.3465 108.9845 44.9674 0.0000 173.2700 38 A 4.6723 8.1520 121.9173 51.7104 19.9462 176.7026 39 L 5.3089 8.8848 121.2823 53.1491 44.7542 175.8954 40 T 4.8985 9.0049 112.9826 59.5517 72.6217 174.4895 41 G 3.7458 7.2455 109.2531 46.4621 0.0000 171.1997 42 T 5.3169 7.8705 110.0371 60.1682 72.8857 172.6263 43 Y 5.1410 9.3418 124.3155 55.8463 42.3516 173.5987 44 E 5.5047 9.2721 127.4745 54.5773 32.2224 174.2243 45 A 5.2785 9.3001 128.9857 51.1045 19.8920 176.8621 46 A 4.3233 8.9275 123.7942 53.1544 19.4001 177.4308 47 V 4.4101 7.1851 107.4566 60.3922 35.9998 176.4296 48 G 3.5464 8.4595 108.6043 44.8953 0.0000 173.2610 49 N 4.5437 7.9557 113.9820 51.3291 37.3378 174.6556 50 A 4.9282 7.6339 121.0796 51.1672 22.6753 175.8790 51 E 4.6996 9.0277 117.3483 56.2254 32.5633 176.6822 52 S 3.8916 8.6260 116.5279 57.7308 61.8513 168.8460 53 R 4.9215 8.3604 117.1536 55.7095 31.1865 175.7029 54 Y 4.7467 9.1491 120.7499 55.7080 41.2581 175.5301 55 V 4.0631 8.6109 123.2526 63.1980 32.4081 174.9918 56 L 5.4881 8.7984 126.2246 53.2779 43.9356 175.1764 57 T 4.9263 8.3864 114.1381 61.1967 71.4938 173.0426 58 G 4.5245 8.7438 112.3541 46.2119 0.0000 171.8330 59 R 5.5642 8.8413 117.5069 54.8068 34.6847 174.2596 60 Y 5.3257 8.8224 119.2232 54.9859 41.8200 174.7135 61 D 4.2433 9.1425 120.6651 54.5895 40.7061 176.6788 62 S 4.3354 8.1470 120.5754 58.5520 63.9869 174.5051 63 A 4.6518 8.0020 123.3862 50.0058 18.4168 173.6097 64 P 4.8741 0.0000 0.0000 60.5715 32.8420 177.1515 65 A 4.1460 8.4264 121.8330 53.0816 18.6047 177.4997 66 T 4.6019 8.4340 109.5482 61.5855 69.1529 173.8817 67 D 4.6915 8.1163 119.8202 53.8799 39.6395 177.2280 68 G 3.9222 8.3641 105.8354 46.5790 0.0000 174.2181 69 S 4.5689 8.1425 115.4272 57.1006 63.9761 174.3665 70 G 3.9741 8.3965 110.8384 46.4474 0.0000 172.7663 71 T 4.7642 8.9575 117.0035 61.6320 69.9490 174.8698 72 A 4.7992 8.6822 129.5691 52.2577 19.8567 175.9435 73 L 5.0669 9.1395 121.1647 55.4927 44.6960 174.0642 74 G 4.6573 9.2427 105.3771 45.7442 0.0000 171.9980 75 W 5.7493 8.6531 116.8633 55.6898 32.4001 173.4450 76 T 5.1743 9.3429 116.6578 61.7713 72.1095 173.3203 77 V 4.6262 8.7152 124.6292 60.9272 34.1683 173.9984 78 A 4.5639 8.3457 129.8859 49.9362 19.8985 177.5289 79 W 4.1422 8.6193 125.8241 56.8272 29.0436 176.3592 80 K 5.1405 8.0902 118.9020 54.6588 33.7461 174.2184 81 N 4.9647 9.0089 123.0248 51.7995 40.1431 174.5302 82 N 4.6259 8.2220 116.3945 53.9005 38.3060 175.4579 83 Y 4.8014 7.8404 117.9232 58.6447 40.5054 175.6209 84 R 4.5549 7.7034 114.4911 55.6489 32.4640 173.4161 85 N 5.2058 8.5241 116.4020 52.6395 40.9669 173.6141 86 A 4.3131 9.0448 128.4492 51.7577 20.1559 176.0885 87 H 4.1435 8.4947 113.7405 55.7622 26.8246 173.1305 88 S 5.2042 7.3782 112.0534 57.9488 66.8826 175.0096 89 A 5.0315 9.1200 121.4444 51.0601 22.8079 175.3070 90 T 4.9504 8.7581 118.5937 61.7687 71.7077 173.4826 91 T 4.8987 8.4984 115.4688 59.6294 71.8139 172.7543 92 W 5.0210 8.6699 124.7893 54.7852 31.8265 174.6739 93 S 4.8862 8.8837 119.4066 56.7082 64.8438 173.0523 94 G 4.4745 8.4591 112.9133 46.7600 0.0000 171.7217 95 Q 5.2285 8.3714 118.0003 54.9045 32.4831 173.4896 96 Y 4.9520 9.2535 123.0861 56.8667 40.7017 174.1910 97 V 4.1731 8.6338 127.1976 61.1389 33.7340 175.6235 98 G 3.8568 7.9787 118.6095 44.1085 0.0000 170.4530 99 G 3.7741 8.6331 104.4465 44.0990 0.0000 172.9351 100 A 4.1059 8.4705 120.2231 54.4089 18.8666 178.3443 101 E 4.5636 7.7267 114.9645 54.5899 29.1658 175.2714 102 A 4.4932 7.6528 123.1038 52.1201 20.5456 177.4621 103 R 5.4122 9.0442 118.9707 54.6736 35.1354 174.3893 104 I 4.9369 8.9929 123.4347 59.8818 39.7405 174.2319 105 N 5.4752 9.0878 125.8963 51.9625 40.3462 174.5362 106 T 5.3382 9.1089 113.2814 60.1571 73.0912 172.7665 107 Q 5.1291 9.0793 121.1311 53.9859 32.6227 174.6577 108 W 5.4712 8.4460 117.9043 54.8562 32.4862 173.7714 109 L 5.1308 8.7165 120.0214 52.9771 44.7854 175.3629 110 L 4.9274 9.4465 127.0823 53.7682 44.2750 174.8634 111 T 5.0070 8.7964 124.3210 62.1681 70.4544 174.2733 112 S 5.0595 8.9233 123.1517 56.7034 64.9279 174.4599 113 G 3.9527 8.7562 111.5984 46.5835 0.0000 173.1766 114 T 4.7395 8.1628 112.5077 59.9125 71.9498 173.4380 115 T 4.4550 8.1684 112.7999 61.1510 70.1300 175.3467 116 E 3.9740 8.7731 121.2343 59.5682 29.1849 179.4891 117 A 4.2106 8.0630 119.1792 54.2114 18.7880 178.1274 118 N 4.7204 7.8689 113.2506 53.2547 39.0598 176.6946 119 A 4.3235 8.2478 125.8215 54.0628 18.1872 179.9273 120 W 4.2941 8.4116 113.9930 58.6695 28.2403 176.8380 121 K 4.0887 6.5391 117.4435 56.1304 32.1880 177.5799 122 S 4.1563 7.8926 117.1901 61.1166 63.3666 173.5843 123 T 5.1171 7.5377 116.9787 61.6700 71.1741 173.5985 124 L 4.7733 9.0630 127.0637 53.5117 44.0345 176.0400 125 V 4.3920 7.9056 120.3452 60.3421 34.4348 175.2252 126 G 3.1691 6.1590 108.2921 45.7446 0.0000 170.8107 127 H 5.3329 8.0242 114.5498 54.2076 31.6298 172.6459 128 D 5.2931 9.2308 121.1840 52.8565 44.8053 174.6925 129 T 5.1504 9.1450 119.5548 62.0035 71.0465 173.3623 130 F 5.5343 9.6248 125.6044 56.1713 41.9769 174.6971 131 T 5.2568 9.2142 119.8170 61.6087 71.1565 173.6468 132 K 3.5180 8.0829 126.5541 55.7570 32.9921 177.2641 133 V 3.8861 7.7018 119.2969 61.4944 32.0029 175.5052 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 16 G 8.35 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 17 I 7.07 3.58 1.29 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.49 0.00 0.00 18 T 7.77 3.87 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 1.09 0.00 0.00 19 G 7.32 3.58 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 20 T 7.55 4.88 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 0.76 0.00 0.00 21 W 9.02 5.38 0.00 3.34 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 22 Y 9.17 5.78 0.00 2.93 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 23 N 9.13 6.07 0.00 2.53 1.96 0.00 0.00 6.63 6.94 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 24 Q 8.70 4.11 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.14 4.24 0.00 1.91 1.80 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.33 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 27 S 8.40 4.63 0.00 4.27 4.08 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 28 T 8.65 5.32 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 1.23 0.00 0.00 29 F 9.32 5.08 0.00 2.55 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 30 I 8.75 4.70 1.74 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 1.12 0.52 0.76 0.00 0.00 31 V 8.17 4.57 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 0.00 0.00 0.08 0.00 0.00 0.54 0.00 0.00 32 T 8.81 4.65 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 1.13 0.00 0.00 33 A 8.74 4.60 0.58 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 34 G 9.32 3.86 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 0.00 0.00 0.00 35 A 8.52 4.13 1.31 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 36 D 8.11 4.53 0.00 2.78 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 37 G 8.35 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 0.00 0.00 0.00 38 A 8.15 4.67 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 39 L 8.88 5.31 0.00 1.67 1.50 1.11 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.00 4.90 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 41 G 7.25 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 0.00 0.00 0.00 42 T 7.87 5.32 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 1.22 0.00 0.00 43 Y 9.34 5.14 0.00 3.02 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 44 E 9.27 5.50 0.00 2.15 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 2.33 2.67 0.00 45 A 9.30 5.28 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 46 A 8.93 4.32 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 47 V 7.19 4.41 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 0.76 0.00 0.00 0.88 0.00 0.00 48 G 8.46 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 4.54 0.00 2.57 2.61 0.00 0.00 6.57 7.96 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 50 A 7.63 4.93 1.07 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 51 E 9.03 4.70 0.00 2.10 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 0.00 2.35 2.38 0.00 52 S 8.63 3.89 0.00 3.96 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 53 R 8.36 4.92 0.00 1.76 1.88 0.00 3.23 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 54 Y 9.15 4.75 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 4.06 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 0.80 0.00 0.00 0.94 0.00 0.00 56 L 8.80 5.49 0.00 2.07 1.80 0.81 0.30 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 57 T 8.39 4.93 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 58 G 8.74 4.52 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 59 R 8.84 5.56 0.00 1.77 1.80 0.00 3.29 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.82 5.33 0.00 2.96 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 61 D 9.14 4.24 0.00 2.72 2.69 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 62 S 8.15 4.34 0.00 3.85 3.31 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 63 A 8.00 4.65 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 64 P 0.00 4.87 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.43 4.15 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 66 T 8.43 4.60 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 1.28 0.00 0.00 67 D 8.12 4.69 0.00 2.80 2.80 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 68 G 8.36 3.92 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 0.00 0.00 0.00 69 S 8.14 4.57 0.00 4.09 3.83 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 70 G 8.40 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 71 T 8.96 4.76 4.56 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 1.47 0.00 0.00 72 A 8.68 4.80 1.31 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 73 L 9.14 5.07 0.00 2.09 1.96 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.24 4.66 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 0.00 0.00 0.00 75 W 8.65 5.75 0.00 3.53 3.28 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 0.00 0.00 0.00 0.00 76 T 9.34 5.17 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 1.20 0.00 0.00 77 V 8.72 4.63 1.38 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 -0.55 0.00 0.00 0.80 0.00 0.00 78 A 8.35 4.56 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 79 W 8.62 4.14 0.00 3.34 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 80 K 8.09 5.14 0.00 1.92 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.43 7.81 81 N 9.01 4.96 0.00 2.64 2.44 0.00 0.00 6.58 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 82 N 8.22 4.63 0.00 1.89 2.43 0.00 0.00 6.58 7.46 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 83 Y 7.84 4.80 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 84 R 7.70 4.55 0.00 2.22 2.11 0.00 3.13 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 85 N 8.52 5.21 0.00 2.67 2.64 0.00 0.00 6.88 7.96 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 86 A 9.04 4.31 1.31 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 87 H 8.49 4.14 0.00 3.34 3.31 0.00 5.66 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 88 S 7.38 5.20 0.00 3.97 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 89 A 9.12 5.03 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 90 T 8.76 4.95 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 -0.37 0.00 0.00 91 T 8.50 4.90 4.16 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 1.16 0.00 0.00 92 W 8.67 5.02 0.00 1.78 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 0.00 0.00 0.00 93 S 8.88 4.89 0.00 3.78 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 94 G 8.46 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 0.00 0.00 0.00 0.00 95 Q 8.37 5.23 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 96 Y 9.25 4.95 0.00 3.06 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 97 V 8.63 4.17 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 0.85 0.00 0.00 0.93 0.00 0.00 98 G 7.98 3.86 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 0.00 0.00 0.00 99 G 8.63 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 0.00 0.00 0.00 100 A 8.47 4.11 1.29 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 0.00 101 E 7.73 4.56 0.00 1.96 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 0.00 2.22 2.27 0.00 102 A 7.65 4.49 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 0.00 103 R 9.04 5.41 0.00 1.79 2.06 0.00 3.41 0.00 0.00 3.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 104 I 8.99 4.94 1.69 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.08 1.06 0.00 0.00 105 N 9.09 5.48 0.00 2.74 2.82 0.00 0.00 6.07 6.38 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 0.00 106 T 9.11 5.34 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 1.49 0.00 0.00 107 Q 9.08 5.13 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 108 W 8.45 5.47 0.00 2.68 2.32 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 0.00 109 L 8.72 5.13 0.00 1.54 1.55 0.88 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.45 4.93 0.00 1.49 1.66 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.80 5.01 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 0.00 112 S 8.92 5.06 0.00 3.64 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 0.00 113 G 8.76 3.95 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 0.00 0.00 0.00 114 T 8.16 4.74 4.16 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 1.19 0.00 0.00 115 T 8.17 4.45 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 1.20 0.00 0.00 116 E 8.77 3.97 0.00 2.05 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 0.00 2.41 2.39 0.00 117 A 8.06 4.21 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 0.00 118 N 7.87 4.72 0.00 2.70 2.66 0.00 0.00 6.72 7.84 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 0.00 119 A 8.25 4.32 1.38 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 0.00 0.00 120 W 8.41 4.29 0.00 3.55 3.24 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 0.00 121 K 6.54 4.09 0.00 1.15 0.74 0.00 1.18 0.00 0.00 1.00 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.75 7.81 122 S 7.89 4.16 0.00 4.16 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 0.00 123 T 7.54 5.12 4.22 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 1.24 0.00 0.00 124 L 9.06 4.77 0.00 1.79 1.75 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.91 4.39 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 0.54 0.00 0.00 0.63 0.00 0.00 126 G 6.16 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 0.00 0.00 0.00 127 H 8.02 5.33 0.00 3.15 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.23 5.29 0.00 2.90 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 0.00 0.00 0.00 0.00 129 T 9.15 5.15 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 1.37 0.00 0.00 130 F 9.62 5.53 0.00 3.13 3.32 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 0.00 131 T 9.21 5.26 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 1.29 0.00 0.00 132 K 8.08 3.52 0.00 0.79 1.14 0.00 1.19 0.00 0.00 1.33 0.00 0.00 2.63 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.64 0.21 7.81 133 V 7.70 3.89 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 0.50 0.00 0.00