NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6140 8.4449 117.3762 54.2736 30.0474 172.6062 *2 D 4.4938 7.7153 119.5692 55.1900 41.7835 174.0891 3 I 4.6913 8.1809 122.9529 59.5014 39.4930 174.7765 4 R 4.4712 8.6086 126.8665 54.6240 32.4807 173.9338 5 Y 5.1343 8.3836 123.0296 56.2257 40.4947 174.9414 6 F 4.7973 9.7140 122.4913 55.9056 42.5061 175.6709 7 G 4.0297 8.7967 110.5362 46.9558 0.0000 173.6245 8 T 4.1397 7.9837 113.1253 62.7252 68.1385 175.0054 9 T 4.4562 8.3817 116.0447 58.6955 71.2527 173.3306 10 P 4.0281 0.0000 0.0000 64.4200 31.4075 177.3058 11 R 4.4664 7.5179 117.3323 57.3042 32.2032 174.7379 12 Y 4.7930 6.7584 112.2661 56.1821 40.9003 172.8502 13 S 5.1431 8.3469 116.1498 56.8576 65.5298 175.3414 14 E 3.9953 8.4959 122.6483 58.8416 30.2826 176.9665 15 A 5.1593 8.1282 119.8244 50.2003 23.3066 175.5318 16 V 4.8214 9.2025 120.5649 61.2389 35.1305 174.3139 17 G 4.7124 9.4062 115.1020 44.6154 0.0000 172.0262 18 A 4.9398 9.0582 124.3816 51.2990 22.9424 176.0680 19 N 4.2525 9.8684 122.3789 54.6056 37.5251 174.6946 20 G 4.0293 8.0684 106.4171 45.2818 0.0000 172.3853 21 L 4.9064 7.7361 119.7606 53.6369 44.0584 175.7231 22 I 5.0597 8.7326 122.5637 59.5584 40.7985 174.3419 23 F 4.9610 9.6720 125.8931 55.7221 41.2834 174.5397 24 L 5.0320 8.5725 124.2248 53.0659 43.1873 177.0823 25 S 4.1954 8.6733 119.1604 58.4968 63.6428 176.3155 26 G 4.5246 8.0904 109.0577 45.0280 0.0000 173.1249 *28 V 3.4727 7.9589 111.3501 60.0613 32.4677 173.5800 29 P 4.4066 0.0000 0.0000 62.7871 31.5717 176.5264 30 E 4.6071 9.5688 121.5478 56.4651 30.9342 175.8292 31 N 4.9440 7.8854 114.6366 52.5245 42.7110 175.0549 32 G 4.1093 9.0101 105.2442 46.0001 0.0000 172.5476 33 E 4.4910 8.7887 118.9717 57.1925 31.7861 177.5630 34 T 4.2575 7.8429 108.0601 60.9111 71.1481 175.0237 35 A 3.9705 8.6568 123.7519 55.5418 18.3614 180.0535 36 A 3.9439 8.6908 119.4145 55.3672 18.5401 179.7825 37 E 3.9385 8.1199 116.8924 59.6940 29.4509 179.6676 38 Q 4.1590 8.3325 118.2163 59.1008 28.7364 178.7797 39 T 3.7800 8.3316 117.0951 66.3593 68.4703 176.4474 40 A 3.8831 7.9558 122.7255 55.3056 18.5012 179.2313 41 D 4.2066 7.9456 116.2848 57.2974 41.2740 178.5709 42 V 3.4644 7.9311 119.0082 66.0848 31.4980 178.0272 43 L 3.4081 7.7946 118.4622 57.5009 41.2168 179.4391 44 A 4.0033 8.0235 120.7649 55.1382 18.1728 179.7543 45 Q 3.9564 8.0336 116.5633 58.9778 28.7820 178.8540 46 I 3.8231 7.7820 120.8747 64.5636 37.1318 177.8587 47 D 4.5053 8.3911 119.8516 57.6114 40.7412 179.0141 48 R 3.7228 7.8750 118.6612 59.4441 30.1791 178.6350 49 W 4.3013 8.3456 118.8839 59.5219 28.9556 178.5120 50 L 3.9584 8.6945 119.1380 57.7888 41.1494 179.2956 51 A 4.0526 8.1291 120.6382 55.3950 18.1281 179.0389 52 E 3.9127 7.9191 116.2181 59.4223 29.6242 177.9502 53 C 4.1920 7.5000 113.1928 58.7445 28.6194 173.8470 54 G 3.7905 8.1430 109.3324 46.4238 0.0000 173.2586 55 S 4.7705 7.8039 114.2372 56.7715 65.6760 171.2286 56 D 4.5770 7.8858 118.7063 52.3491 41.2365 176.0737 57 K 3.7375 8.3567 117.1841 59.6475 32.4190 178.1989 58 A 4.1623 7.5774 120.1641 53.2252 18.3715 176.9877 59 H 4.8359 8.2481 113.8256 55.2730 30.0151 173.2541 60 V 4.0857 7.3909 119.5808 62.7667 32.2878 175.6457 61 L 4.3714 8.9647 127.7452 57.0232 42.9177 176.2963 62 D 5.3328 7.8690 116.5927 52.7027 45.2435 173.6198 63 A 5.1194 9.2943 126.1902 50.3132 22.8297 174.7934 64 V 4.4184 9.0200 123.0972 61.0705 33.9299 174.3267 65 I 4.5962 8.4391 129.3124 59.7311 39.5932 174.0323 66 Y 5.1066 8.8236 125.5066 56.3136 40.0536 174.8094 67 L 5.1561 8.5769 124.0846 52.8456 44.2360 177.6933 68 R 4.0867 8.5858 123.3557 58.8274 30.7878 175.3818 69 D 4.5640 7.6280 116.4672 52.9968 43.8958 174.7578 *71 G 3.8737 8.5867 104.9570 45.7058 0.0000 173.1218 72 D 4.7265 8.2676 119.5204 54.4446 41.1705 177.4541 73 Y 4.2230 8.2814 121.3024 60.8265 39.0923 177.4241 74 A 4.0058 8.2180 121.9640 55.2892 18.9663 179.3948 75 E 3.8446 7.8051 111.4714 57.3749 29.2426 177.9951 *77 N 4.7185 8.3145 116.8970 52.8538 40.4412 176.8712 78 G 3.6029 8.0326 104.7405 47.8281 0.0000 175.9679 79 V 3.6869 7.4674 119.6761 65.3703 31.6602 177.7229 80 W 4.3162 8.2920 127.6477 60.9450 30.3037 177.4411 81 D 4.4374 8.9705 117.9723 57.3854 40.3028 178.4334 82 A 4.1305 7.6055 119.1644 54.3030 18.4244 179.0781 83 W 4.2051 7.5512 126.5091 59.2391 31.3880 177.4845 84 V 2.7157 6.7804 110.4391 60.9576 31.7183 175.7966 85 A 3.7617 7.7658 125.7853 51.5344 18.4714 177.1731 86 A 4.1776 8.2724 126.8067 53.4429 18.9679 178.0881 87 G 3.9982 8.8973 108.9449 46.0654 0.0000 173.7399 88 R 4.6485 7.6528 118.4572 55.4343 31.1024 175.4205 89 T 4.2496 7.7256 107.4051 60.1533 70.4043 172.8600 90 P 4.7617 0.0000 0.0000 61.6993 33.2546 175.3960 91 A 4.2076 8.7076 122.1508 52.5559 19.1675 176.7626 92 R 5.1394 8.5379 120.8692 54.5929 33.7831 174.0509 93 A 4.7129 8.6625 125.5605 50.2766 23.0392 174.4843 94 C 5.1024 8.6241 120.6389 57.7335 34.1267 173.4548 95 V 4.5385 8.5822 119.0158 59.3175 35.8262 174.4727 96 E 4.9525 8.7514 123.7379 55.5949 29.9292 175.4276 97 A 4.7863 9.1112 128.5905 50.4313 23.0397 175.8399 98 R 4.0676 8.7203 120.6623 56.2028 30.8589 176.0735 99 L 4.7625 8.0189 120.0666 52.5283 44.6299 176.3802 100 A 4.0257 8.8681 121.5311 54.5520 18.6079 178.1331 101 R 4.2326 6.3023 113.8016 53.0882 32.6093 175.2376 102 P 4.2199 0.0000 0.0000 65.7458 31.3826 177.3222 103 E 4.1854 7.8051 116.1294 57.1575 29.8844 176.5761 104 W 4.6891 7.7803 119.9244 56.9679 29.3881 176.1336 105 R 4.7487 9.6723 122.6564 56.3987 31.2838 176.4029 106 V 5.0483 7.4332 117.0404 60.5736 34.3223 172.9332 107 E 4.6674 9.3601 123.9301 54.6190 33.2570 173.8206 108 I 4.9866 8.4435 126.5861 59.3387 40.3986 174.4626 109 K 4.6309 9.0922 128.6671 54.6803 34.5015 174.6883 110 I 5.1006 8.4525 127.3764 59.8311 40.7882 174.3307 111 T 4.8529 8.8595 122.3379 61.7547 71.1914 173.3006 112 A 5.3154 9.0455 127.2875 50.1349 23.4827 174.4122 113 V 4.7366 8.2638 118.4267 59.6355 33.6653 175.8444 114 K 4.1206 8.9100 126.2559 56.0676 32.4896 176.8237 115 R 3.9358 8.3257 127.1348 56.6291 30.8240 176.7231 116 D 4.4819 8.5523 121.3016 54.7182 40.9387 176.3009 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 *0 H 8.44 4.61 0.00 2.95 3.01 0.00 7.20 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 D 7.72 4.49 0.00 2.73 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 3 I 8.18 4.69 1.71 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 1.14 0.54 0.18 0.00 0.00 4 R 8.61 4.47 0.00 1.75 1.62 0.00 2.95 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 5 Y 8.38 5.13 0.00 2.77 2.81 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 6 F 9.71 4.80 0.00 2.83 3.21 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 7 G 8.80 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 8 T 7.98 4.14 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 1.07 0.00 0.00 9 T 8.38 4.46 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 0.68 0.00 0.00 10 P 0.00 4.03 0.00 2.01 2.11 0.00 3.49 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 11 R 7.52 4.47 0.00 1.76 1.88 0.00 3.55 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 12 Y 6.76 4.79 0.00 3.21 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 13 S 8.35 5.14 0.00 3.96 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 14 E 8.50 4.00 0.00 1.16 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 2.21 1.69 0.00 15 A 8.13 5.16 1.08 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 0.00 0.00 16 V 9.20 4.82 2.19 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 0.75 0.00 0.00 1.08 0.00 0.00 17 G 9.41 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 9.06 4.94 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 19 N 9.87 4.25 0.00 2.86 2.83 0.00 0.00 7.30 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 20 G 8.07 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 21 L 7.74 4.91 0.00 1.91 1.44 1.07 0.43 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 22 I 8.73 5.06 1.78 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 1.19 0.82 0.85 0.00 0.00 23 F 9.67 4.96 0.00 2.89 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 24 L 8.57 5.03 0.00 1.56 1.58 1.02 0.86 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 25 S 8.67 4.20 0.00 3.59 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 26 G 8.09 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 *28 V 7.96 3.47 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 0.31 0.00 0.00 0.09 0.00 0.00 29 P 0.00 4.41 0.00 1.94 1.90 0.00 2.56 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 30 E 9.57 4.61 0.00 1.89 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 0.00 2.25 2.34 0.00 31 N 7.89 4.94 0.00 2.75 2.66 0.00 0.00 7.16 7.65 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 32 G 9.01 4.11 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 0.00 33 E 8.79 4.49 0.00 1.94 1.95 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 2.22 2.23 0.00 34 T 7.84 4.26 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 1.27 0.00 0.00 35 A 8.66 3.97 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 36 A 8.69 3.94 1.32 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 0.00 0.00 37 E 8.12 3.94 0.00 2.23 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 2.33 2.36 0.00 38 Q 8.33 4.16 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 39 T 8.33 3.78 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 40 A 7.96 3.88 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 41 D 7.95 4.21 0.00 2.80 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 42 V 7.93 3.46 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 0.87 0.00 0.00 0.80 0.00 0.00 43 L 7.79 3.41 0.00 1.34 0.25 0.46 -0.69 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 44 A 8.02 4.00 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 45 Q 8.03 3.96 0.00 2.39 2.34 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 2.42 2.58 0.00 46 I 7.78 3.82 1.98 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 1.58 0.72 1.13 0.00 0.00 47 D 8.39 4.51 0.00 2.96 2.81 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 48 R 7.87 3.72 0.00 1.85 1.76 0.00 2.21 0.00 0.00 2.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 49 W 8.35 4.30 0.00 3.44 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 50 L 8.69 3.96 0.00 1.88 1.63 1.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.13 4.05 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 52 E 7.92 3.91 0.00 1.95 2.25 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 2.58 2.67 0.00 53 C 7.50 4.19 0.00 2.91 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 54 G 8.14 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 55 S 7.80 4.77 0.00 3.73 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 56 D 7.89 4.58 0.00 2.83 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 57 K 8.36 3.74 0.00 0.79 1.65 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.60 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.09 0.78 7.81 58 A 7.58 4.16 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 59 H 8.25 4.84 0.00 3.26 3.23 0.00 5.81 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.39 4.09 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 0.97 0.00 0.00 1.05 0.00 0.00 61 L 8.96 4.37 0.00 1.74 1.66 0.84 0.99 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 62 D 7.87 5.33 0.00 2.76 2.44 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 0.00 63 A 9.29 5.12 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 64 V 9.02 4.42 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 0.35 0.00 0.00 0.88 0.00 0.00 65 I 8.44 4.60 1.60 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.17 0.76 0.00 0.00 66 Y 8.82 5.11 0.00 2.87 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 67 L 8.58 5.16 0.00 1.64 1.59 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.59 4.09 0.00 2.05 2.01 0.00 3.32 0.00 0.00 3.04 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 69 D 7.63 4.56 0.00 2.70 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 G 8.59 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 72 D 8.27 4.73 0.00 2.87 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 73 Y 8.28 4.22 0.00 2.82 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 74 A 8.22 4.01 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 75 E 7.81 3.84 0.00 2.09 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 0.00 2.37 2.29 0.00 *77 N 8.31 4.72 0.00 2.80 2.77 0.00 0.00 6.90 7.95 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 78 G 8.03 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 79 V 7.47 3.69 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 1.01 0.00 0.00 0.99 0.00 0.00 80 W 8.29 4.32 0.00 3.45 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 81 D 8.97 4.44 0.00 2.74 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 82 A 7.61 4.13 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 83 W 7.55 4.21 0.00 3.09 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 84 V 6.78 2.72 1.73 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 -0.25 0.00 0.00 0.81 0.00 0.00 85 A 7.77 3.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.18 1.17 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 87 G 8.90 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 88 R 7.65 4.65 0.00 1.63 1.73 0.00 3.06 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 89 T 7.73 4.25 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 1.21 0.00 0.00 90 P 0.00 4.76 0.00 2.25 2.28 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 91 A 8.71 4.21 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 92 R 8.54 5.14 0.00 1.83 1.70 0.00 2.21 0.00 0.00 2.98 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.26 0.00 93 A 8.66 4.71 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 94 C 8.62 5.10 0.00 2.87 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 95 V 8.58 4.54 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 0.70 0.00 0.00 0.94 0.00 0.00 96 E 8.75 4.95 0.00 1.97 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 2.34 2.33 0.00 97 A 9.11 4.79 1.24 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 0.00 0.00 98 R 8.72 4.07 0.00 1.81 1.87 0.00 3.16 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.02 4.76 0.00 1.91 1.96 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.87 4.03 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 0.00 101 R 6.30 4.23 0.00 0.67 1.26 0.00 2.67 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 102 P 0.00 4.22 0.00 2.11 2.11 0.00 3.49 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 103 E 7.81 4.19 0.00 2.05 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 2.31 2.35 0.00 104 W 7.78 4.69 0.00 3.46 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.67 4.75 0.00 1.82 1.99 0.00 3.20 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 106 V 7.43 5.05 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 0.56 0.00 0.00 0.96 0.00 0.00 107 E 9.36 4.67 0.00 2.02 1.89 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 2.28 2.21 0.00 108 I 8.44 4.99 1.84 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 1.13 0.74 0.96 0.00 0.00 109 K 9.09 4.63 0.00 1.91 1.74 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.64 7.81 110 I 8.45 5.10 1.94 0.00 0.00 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 1.43 0.99 0.98 0.00 0.00 111 T 8.86 4.85 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 0.55 0.00 0.00 112 A 9.05 5.32 1.17 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 0.00 113 V 8.26 4.74 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 0.72 0.00 0.00 0.99 0.00 0.00 114 K 8.91 4.12 0.00 1.75 1.77 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.61 7.81 115 R 8.33 3.94 0.00 1.82 1.78 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.00 116 D 8.55 4.48 0.00 2.66 2.57 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 * Residues marked with a * may have inaccurate shift predictions.