NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6071 8.1648 122.9822 52.6233 19.4495 176.1201 2 T 4.2111 7.5282 119.1189 62.3699 70.6278 172.4837 3 K 5.3134 8.8217 123.4513 55.2894 37.5891 174.5966 4 A 5.2027 8.9522 122.5632 51.3397 23.2439 175.4017 5 V 5.0165 8.8712 117.9751 61.0146 35.7699 173.3751 6 C 4.8852 8.9750 120.8485 58.2077 35.6624 172.4687 7 V 4.7247 8.4862 125.7993 61.3092 33.3664 174.0003 8 L 4.9727 8.8807 128.7021 53.6913 43.4033 175.9449 9 K 4.7934 9.0264 121.7619 55.6472 37.2545 175.6926 10 G 4.2077 7.9516 107.3178 46.4461 0.0000 172.3061 11 D 4.6183 8.9663 118.6849 56.2433 41.6304 177.2726 12 G 4.1162 7.6523 109.6466 44.3798 0.0000 171.6505 13 P 4.4928 0.0000 0.0000 63.2006 32.1777 176.1890 14 V 4.1702 7.5594 120.7347 63.2032 32.0290 174.9377 15 Q 4.9336 8.0759 123.9004 56.5472 32.3519 173.4449 16 G 4.1645 7.8918 106.5047 46.2933 0.0000 171.6043 17 I 5.1858 8.0657 119.3115 59.5016 41.0993 175.1776 18 I 4.6218 8.6222 126.7329 59.4269 40.8467 174.3153 19 N 5.1853 8.3322 122.2165 51.2694 42.1959 173.5255 20 F 5.4563 9.0919 119.4996 55.9340 43.6913 173.7170 21 E 5.1950 9.4774 122.4147 55.0830 33.2537 173.8159 22 Q 4.9246 9.2360 127.3904 54.2154 30.6527 175.4998 23 K 4.1549 8.8833 126.0108 58.2940 32.8319 177.5919 24 E 4.7126 7.7786 117.6201 54.2770 33.3742 176.0212 25 S 4.0291 8.7446 118.7834 61.2285 62.4939 175.1192 26 N 4.8526 8.1628 113.7666 52.4016 37.2717 174.4500 27 G 4.0003 8.1380 109.2802 44.0124 0.0000 171.9441 28 P 4.6304 0.0000 0.0000 62.3128 32.6311 176.2890 29 V 4.6590 8.8238 121.6497 61.2921 33.9540 174.5295 30 K 5.0800 9.5141 128.3866 55.5078 33.9406 176.1097 31 V 5.4236 9.2783 124.1634 58.5783 34.3574 174.6582 32 W 5.3552 8.0800 120.6246 54.8429 31.9795 174.9650 33 G 3.5980 7.2127 106.4751 45.7786 0.0000 171.6432 34 S 5.0614 7.6582 114.0442 57.3166 67.1132 173.4738 35 I 5.1203 8.7231 121.0974 59.4594 41.2433 174.6790 36 K 4.8354 9.1370 124.6756 55.6753 36.4331 176.8857 37 G 3.8260 8.8827 106.2680 45.7322 0.0000 173.4309 38 L 4.4364 7.8093 119.9228 53.2391 42.9221 176.5488 39 T 4.3216 8.1619 111.6714 60.8528 69.7008 174.1367 40 E 4.1003 8.6718 124.3896 57.3836 30.3422 175.5221 41 G 3.7426 8.4854 110.8891 43.6963 0.0000 172.2090 42 L 4.7355 8.1309 119.4466 54.8507 42.6679 176.7642 43 H 4.8707 9.1322 119.6875 53.6529 32.8519 173.2290 44 G 4.0244 9.2492 111.3428 46.7937 0.0000 172.1864 45 F 5.7048 9.4086 125.5882 56.5671 42.1546 173.7262 46 R 5.0294 9.0572 124.4543 54.5690 35.3555 174.2581 47 V 4.5916 8.4956 120.9932 61.9145 33.1717 174.6672 48 H 5.1939 9.5093 125.6228 54.2003 30.8528 175.5085 49 E 3.7847 8.9366 122.7818 58.9222 29.9358 177.3867 50 F 5.0444 8.0790 118.0342 55.7685 41.3465 176.4097 51 G 4.8490 8.5182 114.5054 44.2901 0.0000 173.8542 52 D 4.8060 7.9374 117.5621 52.5771 42.8191 174.5002 53 N 5.2349 8.8462 123.6962 52.5803 39.4348 175.1833 54 T 3.9208 8.6382 109.6116 63.6579 69.2072 174.1095 55 A 4.6556 8.3009 124.6305 50.8967 19.6976 175.6009 56 G 4.0014 7.7548 112.4646 46.0181 0.0000 174.3328 57 C 4.5605 8.5614 115.0901 59.1250 38.2592 175.6831 58 T 3.8653 7.4523 118.1176 66.6830 67.8957 176.2945 59 S 4.3656 8.0463 114.1721 60.3167 63.0956 175.7445 60 A 4.7026 7.4903 125.2323 54.3276 18.2480 178.5239 61 G 4.0971 8.3432 105.6693 44.3817 0.0000 171.0524 62 P 4.6955 0.0000 0.0000 62.1261 33.3808 175.4354 63 H 4.3430 8.6204 116.7026 56.2354 29.4426 175.2217 64 F 4.3388 9.1280 125.0492 57.8479 40.5208 173.9793 65 N 3.9471 7.6650 120.8569 52.5411 40.1906 171.6534 66 P 4.1323 0.0000 0.0000 63.0152 32.1089 177.0767 67 L 3.2564 7.4023 120.9722 54.4555 42.5476 173.7405 *78 E 4.1231 8.1896 117.4508 56.1009 29.9944 175.6075 79 R 4.5163 7.4999 119.0854 55.1548 32.5545 174.8040 80 H 4.7914 8.2584 118.6171 54.2570 30.1334 176.6361 81 V 3.4591 8.0920 124.2500 66.1556 31.3651 177.5728 82 G 3.7165 8.2494 107.0374 46.8637 0.0000 172.6711 83 D 4.6698 7.8307 120.7802 54.1533 40.1505 175.8405 84 L 4.6262 8.4267 123.5148 54.2694 43.1825 177.6129 85 G 4.1333 8.2662 108.1257 45.1667 0.0000 174.5332 86 N 5.7160 8.5286 121.4031 51.4346 42.9118 172.7157 87 V 4.4658 8.6874 112.4220 59.8858 36.1593 174.9843 88 T 5.1153 8.2990 118.4399 61.8291 71.5677 172.7826 89 A 5.0094 9.0355 129.0738 50.4150 21.3327 177.3742 90 D 4.6463 8.9363 122.9966 52.3123 41.1674 176.9850 91 K 4.0460 8.5300 117.1044 59.8902 32.5669 177.1450 92 D 4.5422 8.7501 118.5419 54.0615 40.9968 177.1399 93 G 4.3663 8.3925 108.2028 44.6803 0.0000 172.7417 94 V 4.7679 7.7307 119.3050 60.7853 34.0503 174.0878 95 A 5.4205 9.1530 129.5328 49.4267 21.4038 174.4368 96 D 4.8981 8.6927 123.0374 52.9504 42.5756 175.5252 97 V 4.2397 8.6273 127.0111 61.5438 33.7448 174.9985 98 S 4.6540 8.3349 122.0019 57.9764 64.2111 173.0752 99 I 4.8890 9.1876 127.9963 59.6942 42.1313 174.1807 100 E 5.0428 8.7135 123.8072 54.8089 32.3387 173.9911 101 D 4.9882 9.3771 126.4250 52.2082 44.8549 175.7331 102 S 4.8190 8.8174 118.5598 58.2011 63.6325 174.5481 103 V 4.1330 9.5512 122.5547 64.9864 32.2368 176.6331 104 I 4.1245 7.7989 110.8731 61.0434 38.3991 174.4731 105 S 4.6378 8.4125 114.1874 57.4862 65.3820 174.1962 106 L 4.5881 9.1606 123.8026 54.3200 41.4808 176.3125 107 S 4.4396 7.7929 111.4199 58.3947 66.5138 175.7309 108 G 3.8657 8.4756 108.1453 45.1696 0.0000 173.8407 109 D 4.4369 8.7927 117.5629 57.2700 41.0893 176.8714 110 H 5.0650 8.1079 114.3293 55.3629 29.0788 173.7448 111 C 4.2477 7.8769 120.8759 60.2050 31.6312 173.5140 112 I 3.7178 8.2655 119.3344 60.3230 37.9016 175.5084 113 I 3.8531 7.1415 123.0404 62.7931 37.6698 176.2858 114 G 3.8311 9.2539 113.8289 44.9776 0.0000 172.8813 115 R 4.8672 7.4381 118.7129 54.8793 33.6035 174.6592 116 T 5.0035 8.0334 115.7690 62.0348 71.3563 173.7069 117 L 4.9540 8.6048 127.7631 53.6374 44.2388 175.3183 118 V 4.9696 9.1863 125.5220 61.0227 35.5597 174.0760 119 V 4.9811 8.5575 126.3292 60.4711 33.5110 174.6828 120 H 5.1416 9.8813 123.1495 54.4160 30.0501 175.0028 121 E 4.1877 9.4889 122.7836 59.1644 29.8665 177.2471 122 K 4.7450 7.9833 116.9529 54.0611 35.4133 176.0168 123 A 4.5162 8.4010 124.4044 52.4779 19.0735 178.0335 124 D 4.4905 9.6812 122.3481 52.8039 39.7902 175.7401 *142 S 4.3295 7.6540 117.2198 57.5734 65.5006 174.1101 143 R 4.3697 8.4583 120.1915 55.8546 29.6289 176.5574 144 L 4.2573 8.8075 125.6264 57.5304 42.7928 177.2574 145 A 4.9775 7.6767 118.0017 51.4408 22.9060 173.6244 146 C 5.4122 8.5762 113.3747 56.1867 46.8866 172.7472 147 G 4.8713 7.9980 103.6753 46.1483 0.0000 172.8136 148 V 4.3135 8.3309 121.3602 62.4389 32.8086 175.6005 149 I 4.2275 8.8929 128.9635 60.6261 37.9817 175.3569 150 G 4.3993 8.7360 114.8004 43.9013 0.0000 172.1286 151 I 4.2149 8.2742 121.3373 61.2786 37.4851 175.6946 152 A 4.7733 8.4020 128.3766 49.7731 22.0459 176.3105 153 Q 4.0736 8.4660 118.6640 56.4596 29.2281 175.7710 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 A 8.16 4.61 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 2 T 7.53 4.21 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 1.21 0.00 0.00 3 K 8.82 5.31 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.53 1.49 7.81 4 A 8.95 5.20 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 5 V 8.87 5.02 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 0.63 0.00 0.00 0.99 0.00 0.00 6 C 8.98 4.89 0.00 3.14 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 7 V 8.49 4.72 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.88 4.97 0.00 1.79 1.57 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.03 4.79 0.00 1.65 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.95 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 0.00 0.00 0.00 0.00 11 D 8.97 4.62 0.00 2.68 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 12 G 7.65 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 13 P 0.00 4.49 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 14 V 7.56 4.17 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 0.79 0.00 0.00 0.92 0.00 0.00 15 Q 8.08 4.93 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.43 2.12 0.00 16 G 7.89 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 0.00 0.00 0.00 0.00 17 I 8.07 5.19 1.82 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 1.20 1.50 0.83 0.00 0.00 18 I 8.62 4.62 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.49 0.46 0.00 0.00 19 N 8.33 5.19 0.00 1.44 1.48 0.00 0.00 6.72 7.99 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 20 F 9.09 5.46 0.00 2.84 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 21 E 9.48 5.19 0.00 2.50 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 0.00 2.33 2.41 0.00 22 Q 9.24 4.92 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 23 K 8.88 4.15 0.00 1.81 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 E 7.78 4.71 0.00 1.98 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 2.30 2.28 0.00 25 S 8.74 4.03 0.00 3.83 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 26 N 8.16 4.85 0.00 2.85 2.86 0.00 0.00 5.91 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 27 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 2.00 2.04 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.82 4.66 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 1.29 0.00 0.00 1.09 0.00 0.00 30 K 9.51 5.08 0.00 1.96 1.92 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.45 7.81 31 V 9.28 5.42 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.89 0.00 0.00 32 W 8.08 5.36 0.00 3.50 3.27 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 33 G 7.21 3.60 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 0.00 0.00 0.00 34 S 7.66 5.06 0.00 3.94 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 35 I 8.72 5.12 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.92 0.00 0.00 36 K 9.14 4.84 0.00 1.72 1.86 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.34 7.81 37 G 8.88 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 0.00 0.00 0.00 38 L 7.81 4.44 0.00 1.95 1.56 0.76 0.44 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 39 T 8.16 4.32 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 1.24 0.00 0.00 40 E 8.67 4.10 0.00 2.03 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 2.30 2.50 0.00 41 G 8.49 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 0.00 0.00 0.00 42 L 8.13 4.74 0.00 1.49 1.58 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.13 4.87 0.00 3.04 3.29 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 44 G 9.25 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 0.00 0.00 0.00 45 F 9.41 5.70 0.00 3.00 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 46 R 9.06 5.03 0.00 1.75 1.69 0.00 2.83 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 47 V 8.50 4.59 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 0.96 0.00 0.00 0.86 0.00 0.00 48 H 9.51 5.19 0.00 3.08 3.43 0.00 5.71 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 49 E 8.94 3.78 0.00 1.64 1.12 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 1.47 2.08 0.00 50 F 8.08 5.04 0.00 3.40 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 51 G 8.52 4.85 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 0.00 0.00 0.00 52 D 7.94 4.81 0.00 2.65 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 53 N 8.85 5.23 0.00 2.68 2.73 0.00 0.00 7.36 7.70 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 54 T 8.64 3.92 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 1.22 0.00 0.00 55 A 8.30 4.66 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 56 G 7.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.56 4.56 0.00 2.96 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 58 T 7.45 3.87 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 1.24 0.00 0.00 59 S 8.05 4.37 0.00 4.11 3.94 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 0.00 0.00 0.00 0.00 60 A 7.49 4.70 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 61 G 8.34 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 0.00 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.11 2.23 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 63 H 8.62 4.34 0.00 3.05 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.13 4.34 0.00 2.95 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 65 N 7.66 3.95 0.00 2.38 2.41 0.00 0.00 7.20 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 66 P 0.00 4.13 0.00 2.18 2.11 0.00 3.31 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 67 L 7.40 3.26 0.00 1.67 1.62 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 *78 E 8.19 4.12 0.00 2.03 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 2.21 2.25 0.00 79 R 7.50 4.52 0.00 1.77 1.81 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 80 H 8.26 4.79 0.00 3.54 3.14 0.00 5.89 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 81 V 8.09 3.46 1.58 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 0.70 0.00 0.00 0.51 0.00 0.00 82 G 8.25 3.72 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 0.00 83 D 7.83 4.67 0.00 2.79 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 84 L 8.43 4.63 0.00 1.87 1.86 0.80 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.27 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 86 N 8.53 5.72 0.00 2.57 2.70 0.00 0.00 6.54 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 87 V 8.69 4.47 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 -0.22 0.00 0.00 0.84 0.00 0.00 88 T 8.30 5.12 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 1.20 0.00 0.00 89 A 9.04 5.01 1.28 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 0.00 0.00 90 D 8.94 4.65 0.00 2.87 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 91 K 8.53 4.05 0.00 1.88 2.11 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.75 4.54 0.00 2.78 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 93 G 8.39 4.37 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 0.00 0.00 0.00 94 V 7.73 4.77 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 0.96 0.00 0.00 0.98 0.00 0.00 95 A 9.15 5.42 1.13 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 96 D 8.69 4.90 0.00 2.66 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 97 V 8.63 4.24 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 0.73 0.00 0.00 0.61 0.00 0.00 98 S 8.33 4.65 0.00 3.92 3.73 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 99 I 9.19 4.89 1.98 0.00 0.00 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 1.17 0.63 1.01 0.00 0.00 100 E 8.71 5.04 0.00 1.95 1.81 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 2.22 2.34 0.00 101 D 9.38 4.99 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.82 0.00 4.02 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 0.00 103 V 9.55 4.13 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 0.82 0.00 0.00 0.96 0.00 0.00 104 I 7.80 4.12 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.03 0.00 0.00 105 S 8.41 4.64 0.00 3.85 3.85 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 0.00 106 L 9.16 4.59 0.00 1.76 1.63 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.79 4.44 0.00 3.98 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 0.00 108 G 8.48 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 0.00 0.00 0.00 109 D 8.79 4.44 0.00 2.66 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 0.00 110 H 8.11 5.07 0.00 3.24 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.88 4.25 0.00 2.95 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 0.00 112 I 8.27 3.72 1.52 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.09 0.80 0.00 0.00 113 I 7.14 3.85 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.86 0.00 0.00 114 G 9.25 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 0.00 0.00 0.00 115 R 7.44 4.87 0.00 1.62 1.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 0.00 116 T 8.03 5.00 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 1.21 0.00 0.00 117 L 8.60 4.95 0.00 1.78 1.53 0.44 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.19 4.97 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 0.78 0.00 0.00 0.72 0.00 0.00 119 V 8.56 4.98 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 0.76 0.00 0.00 1.02 0.00 0.00 120 H 9.88 5.14 0.00 2.97 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.49 4.19 0.00 2.01 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 2.37 2.35 0.00 122 K 7.98 4.74 0.00 1.76 1.69 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 123 A 8.40 4.52 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 0.00 124 D 9.68 4.49 0.00 2.56 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 *142 S 7.65 4.33 0.00 3.99 4.04 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 0.00 0.00 0.00 0.00 143 R 8.46 4.37 0.00 1.70 1.86 0.00 3.20 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 144 L 8.81 4.26 0.00 1.72 1.69 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.68 4.98 1.18 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 0.00 146 C 8.58 5.41 0.00 2.98 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 0.00 147 G 8.00 4.87 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 0.00 0.00 0.00 148 V 8.33 4.31 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 0.80 0.00 0.00 0.96 0.00 0.00 149 I 8.89 4.23 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.43 0.00 0.00 150 G 8.74 4.40 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 0.00 151 I 8.27 4.21 1.85 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 1.24 0.53 0.90 0.00 0.00 152 A 8.40 4.77 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 0.00 153 Q 8.47 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.