NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.6804 8.5445 117.3759 54.0045 30.3556 174.3481 *0 H 4.5520 8.3108 117.2825 53.4805 28.3452 176.2299 2 D 4.8843 8.8756 122.1330 53.9964 43.0095 173.1649 3 I 4.5937 8.0941 125.9163 59.6548 39.3521 174.8204 4 R 4.4188 8.8296 126.5256 54.6795 32.6206 173.6366 5 Y 5.0835 8.4294 123.6263 56.4624 40.2333 175.0468 6 F 4.7850 9.1546 121.8526 55.9897 43.0959 175.4947 7 G 4.0515 8.8024 111.1208 46.8563 0.0000 173.4443 8 T 4.3981 7.7317 113.6699 63.1040 69.3251 174.9693 9 T 4.5247 8.5399 115.9788 58.5687 71.5104 173.2221 10 P 3.8922 0.0000 0.0000 64.8458 31.4087 177.5713 11 R 4.3901 7.0269 116.9533 57.5490 31.3187 175.2470 12 Y 4.8070 7.2319 113.2624 56.1186 40.8950 172.7772 13 S 5.1146 8.4748 116.5910 56.7763 64.6996 174.3786 14 E 4.0000 8.6293 123.6327 59.1290 30.2066 176.9873 15 A 5.1310 8.0326 119.1455 50.3581 23.2908 175.5060 16 V 4.8607 9.1136 120.0596 61.1260 35.2982 174.5695 17 G 5.1670 9.4103 114.3231 43.9488 0.0000 171.3690 18 A 5.0648 8.6672 124.6345 50.9897 22.7974 175.6382 19 N 4.2551 9.8353 120.7509 54.5748 37.5374 174.5498 20 G 4.0824 8.1021 107.2101 45.3174 0.0000 172.7679 21 L 4.8519 7.7581 119.4608 54.0937 43.7953 176.1567 22 I 4.9480 8.4388 121.9645 59.8050 41.2103 174.2471 23 F 4.9351 9.5418 126.8725 55.7669 40.9319 175.0264 24 L 5.0108 8.5422 124.3093 53.3533 43.1366 177.1881 25 S 4.2509 8.5968 118.1739 58.2858 63.7094 175.9339 26 G 4.2726 8.1105 108.8865 44.9964 0.0000 173.1245 *28 V 3.4486 7.9502 111.0840 60.1351 32.4468 173.5494 29 P 4.4480 0.0000 0.0000 62.4795 31.6216 176.4143 30 E 4.6557 9.7727 120.4516 56.1504 30.5739 175.4105 31 N 4.9723 7.8226 115.6287 52.6260 42.8143 174.6721 32 G 4.1063 8.9186 105.5251 46.3422 0.0000 172.7455 33 E 4.4314 9.3145 121.5494 57.3570 31.2570 177.4566 34 T 4.3580 7.8297 108.1230 60.6151 71.4725 175.0544 35 A 3.9706 8.6441 123.6107 55.6418 18.3063 180.0583 36 A 3.9410 8.3074 118.9542 55.3590 18.4645 179.7922 37 E 3.9428 8.1372 116.9934 59.6598 29.4660 179.6806 38 Q 4.1406 8.4469 118.4634 59.2317 28.7056 178.7596 39 T 3.7998 8.1520 116.6927 66.4055 68.3646 176.5247 40 A 3.8732 7.8109 122.2097 55.1522 18.4468 179.1227 41 D 4.2059 7.9865 116.5494 57.4714 41.2851 178.6719 42 V 3.4832 7.9920 119.0070 66.0503 31.5607 178.0230 43 L 3.3939 7.9767 118.7413 57.3189 41.2097 179.3944 44 A 4.0059 8.2207 121.2212 55.1562 18.2383 179.5583 45 Q 3.9626 8.0193 116.5261 59.2684 28.8482 179.1441 46 I 3.8253 7.8363 120.6156 64.6696 37.1764 178.1127 47 D 4.5179 8.3279 119.4559 57.5530 40.6870 179.1294 48 R 3.7812 8.0551 118.3669 59.1253 30.0878 179.2811 49 W 4.2757 8.3469 118.8948 59.5490 29.0955 178.5749 50 L 3.9609 8.5829 119.2470 57.8305 41.0840 179.4203 51 A 4.1986 8.0093 121.8151 54.8038 18.1163 179.4973 52 E 3.9820 7.9271 115.7476 59.2659 29.5120 178.3955 53 C 4.3056 7.5321 114.3559 58.5115 29.1050 173.5319 54 G 3.7678 8.3853 108.6653 46.7674 0.0000 173.0258 55 S 4.8871 8.2375 113.6930 57.2109 66.1451 171.1773 56 D 4.4922 8.0085 118.4497 52.1564 41.3097 176.2663 57 K 3.8738 8.4761 118.2028 59.4433 32.2723 177.6258 58 A 4.1165 7.6861 120.2777 53.2101 18.6551 177.1057 59 H 4.8254 8.5082 113.9771 55.1605 29.8424 173.2364 60 V 4.1743 7.7326 119.4920 62.6269 32.4784 175.4085 61 L 4.4096 8.8101 127.3432 56.8110 43.0562 176.2671 62 D 5.3085 7.8724 116.3735 52.6080 45.3511 173.7869 63 A 5.1243 9.0350 125.5198 50.3174 22.8365 174.8414 64 V 4.4571 9.0789 123.2084 61.0635 34.0571 174.2851 65 I 4.6490 8.5444 129.1534 59.7021 39.6476 174.0435 66 Y 5.1804 8.7785 125.1078 56.2780 40.3504 174.6994 67 L 5.2129 8.8013 124.2765 52.8303 44.1274 177.6844 68 R 4.1046 8.7874 123.7356 59.4814 30.8282 175.3757 69 D 4.5973 7.6164 116.1900 53.2049 43.7222 174.6367 *71 G 3.8732 8.5653 105.0886 45.6730 0.0000 173.1562 72 D 4.7492 8.1656 119.1467 54.3534 41.2558 177.5491 73 Y 4.2297 8.2203 121.4768 60.7729 39.0320 177.4364 74 A 3.9392 8.0151 121.9008 54.7813 19.1815 178.8339 75 E 3.8725 7.8867 113.3225 57.5036 29.2786 177.9308 *77 N 4.7641 8.3086 116.7295 53.0042 40.5514 176.6127 78 G 3.9035 7.9874 103.7430 48.1563 0.0000 175.4868 79 V 3.8146 7.4843 119.5061 65.1288 31.5174 177.5895 80 W 4.3895 8.3083 127.6621 61.0498 30.3100 177.4410 81 D 4.3436 9.1193 118.2426 57.2251 40.3531 178.2506 82 A 4.2078 7.5989 118.0322 53.2374 18.7460 178.4979 83 W 4.3641 7.8805 126.3481 58.4336 31.6768 177.2736 84 V 2.7619 6.7533 109.8171 60.8963 31.6702 175.3164 85 A 3.9197 7.7620 125.2148 50.9226 18.9150 177.1699 86 A 3.9969 8.3321 126.7379 53.9023 18.7233 177.8159 87 G 4.0442 9.2285 111.2146 45.5614 0.0000 173.4677 88 R 4.6606 7.7087 118.8287 55.6863 31.2156 175.6441 89 T 4.0860 7.8995 107.9374 60.6877 69.8679 172.5918 90 P 4.7299 0.0000 0.0000 61.7646 33.1557 175.5285 91 A 4.2031 8.4316 121.9393 52.8268 19.2200 176.7522 92 R 5.1963 8.4423 120.0294 54.7608 33.8151 173.9865 93 A 4.7230 8.6741 125.3314 50.3347 22.9856 174.5233 94 C 5.1038 8.4977 120.4250 57.7811 34.4862 173.3870 95 V 4.5075 8.5933 117.9784 59.7207 36.5875 173.8819 96 E 5.0227 8.7381 122.7565 55.0415 30.1644 174.9701 97 A 4.7899 8.7801 128.5803 50.0958 22.2257 176.1067 98 R 4.0478 8.7872 120.8665 56.2176 30.4598 175.8264 99 L 4.7898 8.0552 119.3405 52.4597 44.7580 177.3875 100 A 4.1508 8.8738 121.5633 54.4857 18.7088 178.0554 101 R 4.2617 6.4587 115.1113 53.1141 33.1028 174.9950 102 P 4.2555 0.0000 0.0000 65.7633 31.4631 177.6786 103 E 4.0506 7.8714 117.4895 58.5041 29.6422 177.0638 104 W 4.6153 7.7718 118.8891 57.3051 29.1845 175.9706 105 R 4.6908 9.8398 123.3342 56.7789 31.2401 176.7179 106 V 5.1272 7.5790 117.2393 60.2754 34.5627 173.7004 107 E 4.6805 9.2760 123.5583 54.6155 33.3298 173.8937 108 I 4.9229 8.3884 126.3488 59.4020 40.5078 174.4588 109 K 4.5310 9.3420 129.3377 54.9368 33.9352 174.8169 110 I 5.0740 8.3967 127.9735 59.8351 40.5324 174.6396 111 T 4.9330 8.9383 122.3245 61.8790 71.9387 173.0998 112 A 5.0449 8.7761 126.1431 51.0627 23.4973 174.7868 113 V 4.7857 8.2475 111.1917 59.3220 34.8474 176.2882 114 K 4.2647 9.1787 126.2881 56.0417 32.4262 177.0206 115 R 3.9930 8.2204 126.8086 56.8591 30.6192 176.4140 116 D 4.6553 8.7815 121.6168 52.7563 42.3099 176.5580 117 A 4.0938 8.4031 123.1671 53.1094 19.0614 176.7718 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 H 8.54 4.68 0.00 2.95 2.82 0.00 7.16 0.00 0.00 0.00 0.00 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 H 8.31 4.55 0.00 3.00 2.94 0.00 7.14 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.88 4.88 0.00 2.81 2.94 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 3 I 8.09 4.59 1.73 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 1.14 0.70 0.15 0.00 0.00 4 R 8.83 4.42 0.00 1.72 1.68 0.00 3.02 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.31 0.00 5 Y 8.43 5.08 0.00 2.80 2.82 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 6 F 9.15 4.79 0.00 2.90 3.14 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 0.00 7 G 8.80 4.05 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 0.00 8 T 7.73 4.40 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 1.08 0.00 0.00 9 T 8.54 4.52 3.96 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 0.81 0.00 0.00 10 P 0.00 3.89 0.00 2.01 2.12 0.00 3.52 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 7.03 4.39 0.00 1.74 1.99 0.00 3.53 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 12 Y 7.23 4.81 0.00 3.21 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 13 S 8.47 5.11 0.00 3.92 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 0.00 14 E 8.63 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 1.78 0.00 15 A 8.03 5.13 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 16 V 9.11 4.86 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 0.79 0.00 0.00 1.05 0.00 0.00 17 G 9.41 5.17 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 18 A 8.67 5.06 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 19 N 9.84 4.26 0.00 2.90 2.83 0.00 0.00 7.25 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 8.10 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 0.00 0.00 0.00 21 L 7.76 4.85 0.00 2.01 1.75 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.44 4.95 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.84 0.00 0.00 23 F 9.54 4.94 0.00 2.89 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 24 L 8.54 5.01 0.00 1.56 1.58 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.60 4.25 0.00 3.60 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 8.11 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 *28 V 7.95 3.45 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 0.22 0.00 0.00 0.28 0.00 0.00 29 P 0.00 4.45 0.00 1.98 1.91 0.00 2.50 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 2.11 2.00 0.00 30 E 9.77 4.66 0.00 2.04 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 2.29 2.25 0.00 31 N 7.82 4.97 0.00 2.83 2.70 0.00 0.00 7.17 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 8.92 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 9.31 4.43 0.00 1.89 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 2.25 2.24 0.00 34 T 7.83 4.36 4.39 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 1.27 0.00 0.00 35 A 8.64 3.97 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 36 A 8.31 3.94 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 37 E 8.14 3.94 0.00 2.21 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 0.00 2.34 2.36 0.00 38 Q 8.45 4.14 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 39 T 8.15 3.80 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 1.22 0.00 0.00 40 A 7.81 3.87 1.37 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 41 D 7.99 4.21 0.00 2.79 2.79 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 42 V 7.99 3.48 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 0.87 0.00 0.00 0.81 0.00 0.00 43 L 7.98 3.39 0.00 1.33 0.24 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.22 4.01 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 8.02 3.96 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 46 I 7.84 3.83 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 1.12 0.00 0.00 47 D 8.33 4.52 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 8.06 3.78 0.00 1.77 1.50 0.00 2.92 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 49 W 8.35 4.28 0.00 3.42 3.18 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 50 L 8.58 3.96 0.00 1.87 1.64 1.07 0.79 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 8.01 4.20 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 52 E 7.93 3.98 0.00 2.22 2.21 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 2.26 2.31 0.00 53 C 7.53 4.31 0.00 2.73 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 54 G 8.39 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 55 S 8.24 4.89 0.00 3.73 3.76 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 56 D 8.01 4.49 0.00 2.84 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 57 K 8.48 3.87 0.00 0.79 1.70 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.47 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.03 0.85 7.81 58 A 7.69 4.12 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 59 H 8.51 4.83 0.00 3.23 3.23 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.73 4.17 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 1.02 0.00 0.00 1.05 0.00 0.00 61 L 8.81 4.41 0.00 1.71 1.66 0.87 0.58 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 5.31 0.00 2.74 2.42 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 63 A 9.03 5.12 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 64 V 9.08 4.46 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 0.21 0.00 0.00 0.90 0.00 0.00 65 I 8.54 4.65 1.60 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.22 0.78 0.00 0.00 66 Y 8.78 5.18 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 8.80 5.21 0.00 1.60 1.72 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.79 4.10 0.00 2.06 2.01 0.00 3.51 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 69 D 7.62 4.60 0.00 2.71 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 8.57 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 8.17 4.75 0.00 2.90 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 73 Y 8.22 4.23 0.00 2.80 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 8.02 3.94 1.30 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 0.00 0.00 0.00 75 E 7.89 3.87 0.00 2.02 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 2.38 2.29 0.00 *77 N 8.31 4.76 0.00 2.73 2.77 0.00 0.00 6.89 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 7.99 3.90 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 0.00 0.00 0.00 79 V 7.48 3.81 2.13 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 1.02 0.00 0.00 1.00 0.00 0.00 80 W 8.31 4.39 0.00 3.45 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 81 D 9.12 4.34 0.00 2.69 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 7.60 4.21 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 83 W 7.88 4.36 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 84 V 6.75 2.76 1.70 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 -0.31 0.00 0.00 0.77 0.00 0.00 85 A 7.76 3.92 1.01 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 0.00 0.00 86 A 8.33 4.00 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 87 G 9.23 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 0.00 0.00 0.00 88 R 7.71 4.66 0.00 1.60 1.75 0.00 3.06 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.90 4.09 4.34 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 1.22 0.00 0.00 90 P 0.00 4.73 0.00 2.29 2.28 0.00 3.99 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 91 A 8.43 4.20 1.37 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 92 R 8.44 5.20 0.00 1.82 1.69 0.00 2.21 0.00 0.00 2.92 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 93 A 8.67 4.72 1.10 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 94 C 8.50 5.10 0.00 2.83 2.75 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 95 V 8.59 4.51 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 0.62 0.00 0.00 1.01 0.00 0.00 96 E 8.74 5.02 0.00 1.96 1.86 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 2.24 2.53 0.00 97 A 8.78 4.79 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 98 R 8.79 4.05 0.00 1.81 1.87 0.00 3.15 0.00 0.00 3.21 7.37 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 8.06 4.79 0.00 1.97 1.91 1.13 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.87 4.15 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 0.00 101 R 6.46 4.26 0.00 0.67 0.97 0.00 2.58 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.00 102 P 0.00 4.26 0.00 2.11 2.12 0.00 3.51 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 1.87 1.89 0.00 103 E 7.87 4.05 0.00 2.02 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 2.30 2.34 0.00 104 W 7.77 4.62 0.00 3.50 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 0.00 105 R 9.84 4.69 0.00 1.83 2.01 0.00 3.16 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 106 V 7.58 5.13 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 0.63 0.00 0.00 0.97 0.00 0.00 107 E 9.28 4.68 0.00 2.03 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 0.00 2.28 2.20 0.00 108 I 8.39 4.92 1.83 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 1.15 0.74 0.97 0.00 0.00 109 K 9.34 4.53 0.00 1.99 1.87 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 110 I 8.40 5.07 1.93 0.00 0.00 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 1.41 0.99 0.99 0.00 0.00 111 T 8.94 4.93 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 0.42 0.00 0.00 112 A 8.78 5.04 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 0.00 113 V 8.25 4.79 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 0.66 0.00 0.00 0.99 0.00 0.00 114 K 9.18 4.26 0.00 1.74 1.73 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 115 R 8.22 3.99 0.00 1.80 1.78 0.00 3.10 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.35 0.00 116 D 8.78 4.66 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 0.00 117 A 8.40 4.09 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 * Residues marked with a * may have inaccurate shift predictions.