NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0737 8.0244 114.2746 61.8764 38.8466 172.9917 2 Q 4.3304 7.5699 120.0348 55.5988 31.3418 170.8055 3 R 4.6494 7.6839 118.4349 54.2223 33.7402 173.6771 4 T 4.5950 8.3935 114.4948 59.9776 69.2419 172.5061 5 P 5.2968 0.0000 0.0000 61.8722 31.6408 175.8468 6 K 4.6673 8.6325 124.8803 54.9754 35.0022 174.6063 7 I 4.7681 8.2782 125.2429 59.7321 39.1063 174.7829 8 Q 4.8172 8.7377 127.7757 54.2909 32.1513 174.2743 9 V 5.1093 8.4533 125.1667 61.6667 34.5740 173.5957 10 Y 5.1962 8.5135 124.1516 56.3782 41.8729 173.1392 11 S 4.8904 9.4959 115.4021 57.7130 62.7738 173.8481 12 R 4.2632 9.0740 128.3743 59.2249 30.4888 175.4379 13 H 5.2450 8.0994 113.4013 52.3993 32.6782 170.8048 14 P 4.2642 0.0000 0.0000 63.6338 31.0377 175.5471 15 A 4.6724 8.6598 124.8842 51.2772 19.6829 176.1172 16 E 4.6039 8.6292 123.1707 54.0015 32.4486 174.6603 17 N 4.5994 8.7649 125.1848 54.6789 39.5510 175.1507 18 G 4.0101 10.2730 114.7177 45.3515 0.0000 172.4830 19 K 4.6785 7.4464 118.6583 54.3334 36.2352 175.0943 20 S 4.8106 8.5626 120.8046 58.4626 64.1008 173.1431 21 N 5.3037 9.1400 120.7237 52.0658 44.0309 172.8279 22 F 5.0241 8.9285 117.2010 55.8414 41.9768 175.1766 23 L 4.2573 8.1855 126.0481 54.4463 43.5473 175.4417 24 N 4.9685 8.5287 120.8959 52.1092 42.5840 172.0439 25 C 5.3997 9.0354 125.8907 55.0092 43.1743 171.7817 26 Y 4.7750 9.0658 128.1453 56.0430 40.8972 174.2576 27 V 4.8012 7.9416 127.7257 60.8039 32.9700 174.6519 28 S 4.9091 8.8464 122.8275 58.0719 68.1050 173.2640 29 G 4.2325 9.0721 109.9162 45.9952 0.0000 172.5504 30 F 5.0473 7.2059 118.3964 57.8447 39.8767 173.0715 31 H 4.9888 8.7078 117.7357 54.8831 32.8327 172.4645 32 P 4.0308 0.0000 0.0000 62.1419 32.3088 177.1288 33 S 3.9126 8.4714 111.5346 60.3924 62.9233 173.8706 34 D 5.0381 7.7825 120.7938 52.5103 43.1905 175.0780 35 I 4.4347 8.0110 121.9766 59.0095 41.3647 173.2937 36 E 4.7651 8.1885 125.7496 54.2598 31.8288 175.0230 37 V 4.7448 7.8084 125.5807 59.8654 34.4856 174.2240 38 D 4.6803 9.1474 122.6314 52.3410 45.1443 173.9248 39 L 5.0854 8.2562 122.6214 53.2899 44.4017 175.7247 40 L 5.1586 9.6071 123.1426 53.3158 45.8711 175.8091 41 K 5.1774 8.8401 118.8521 56.0982 34.4958 178.1939 42 N 4.6624 8.9937 121.5107 52.3889 38.1807 176.5314 43 G 5.0059 6.8029 119.2036 46.2358 0.0000 172.1192 44 E 4.6981 7.1065 120.0822 53.9806 32.1502 175.3642 45 R 4.4653 8.3284 121.8851 56.4256 30.8789 175.8445 46 I 4.3951 8.4887 125.9942 60.0569 38.6134 175.5846 47 E 4.3512 8.5553 121.4984 58.0122 30.6646 177.8883 48 K 4.1534 7.9361 115.5357 57.1194 32.1041 176.9884 49 V 3.8531 7.2248 120.5307 63.2543 32.0618 175.1648 50 E 4.7395 9.0673 126.8068 54.5960 33.7221 174.0105 51 H 5.1379 8.4876 118.5374 52.9585 30.4221 174.7350 52 S 4.5781 8.6019 117.6515 56.8069 65.1274 172.9591 53 D 4.3395 8.9316 118.9433 55.1403 41.9565 174.6515 54 L 3.0902 8.0817 120.9325 56.8315 42.2849 177.7975 55 S 4.7542 8.3072 111.5081 58.6717 65.5871 175.2392 56 F 4.8127 8.7415 124.1985 56.9204 40.9765 173.0698 57 S 4.7564 8.1630 123.4762 55.9609 64.7053 175.2978 58 K 3.6455 8.4809 124.3019 59.2215 32.8485 176.9286 59 D 4.0939 7.3428 114.6065 54.9602 43.4508 175.3183 60 W 4.6016 7.0581 116.2294 55.5725 30.5692 175.6470 61 S 3.5587 8.3268 114.5130 58.7716 62.5767 174.2555 62 F 4.2439 7.2749 122.4593 56.9851 39.2395 174.6356 63 Y 4.7372 8.0532 122.4036 55.9861 38.0578 174.6512 64 L 4.8214 8.0228 122.1361 53.3072 45.8024 174.5501 65 L 4.9183 8.5132 127.4467 53.4945 44.8817 174.2708 66 Y 4.8441 8.7145 123.5010 56.4002 41.2434 174.1817 67 Y 5.1823 8.4918 121.6902 55.8430 42.4980 173.9231 68 T 4.7607 8.0146 112.4190 60.7032 71.1791 171.6287 69 E 4.6320 8.5648 128.3730 55.4074 30.5420 175.2647 70 F 4.9047 9.1459 120.5177 55.9384 42.1424 173.6135 71 T 5.0085 8.5508 116.6118 59.3064 68.6872 171.6926 72 P 4.5336 0.0000 0.0000 63.6057 32.3497 175.3987 73 T 5.7397 8.3120 110.1973 59.0405 71.8860 173.4931 74 E 4.1392 9.0266 122.4818 59.1843 29.9209 178.0835 75 K 4.0777 8.0187 116.9561 58.4299 32.4826 176.4116 76 D 4.6851 7.7146 117.6341 53.2685 42.5255 174.2577 77 E 4.9855 7.5914 118.3187 55.4564 32.8798 173.3788 78 Y 5.1527 9.1506 121.9527 56.3799 42.1300 174.0517 79 A 5.3033 9.2496 122.6958 50.7389 23.7731 174.0399 80 C 5.1988 9.6273 116.6395 55.1590 39.6315 173.4357 81 R 5.2546 9.4570 124.3307 54.5922 32.7015 174.6568 82 V 4.8393 8.8553 118.8022 59.5706 35.4498 174.1295 83 N 5.2013 8.9888 121.9867 51.7821 40.8133 173.4824 84 H 4.9908 8.4708 121.6324 54.5346 33.0944 174.4097 85 V 3.6978 7.8581 116.9140 64.0748 31.9061 178.0613 86 T 4.0566 8.0451 110.3622 64.1236 69.1166 174.5429 87 L 4.4597 7.5298 122.9470 53.6050 41.7001 177.1021 88 S 4.2839 8.8184 119.5174 60.6483 63.1205 174.7863 89 Q 4.5174 7.6379 118.2224 52.8716 32.1214 172.6767 90 P 4.3396 0.0000 0.0000 63.2521 32.2250 175.3385 91 K 4.3913 8.9781 125.3123 55.4856 33.6315 175.0875 92 I 5.0284 8.3824 128.0839 59.5743 39.4388 175.0971 93 V 4.5670 8.9242 127.0868 60.7481 34.3487 174.6990 94 K 4.6694 8.7865 127.3346 56.2775 33.7385 176.4226 95 W 4.5361 9.5139 133.9837 57.6765 31.4543 174.6201 96 D 3.6476 7.4877 124.1502 53.3379 43.5790 174.4623 97 R 4.3076 8.5022 117.0746 56.1807 31.0617 176.3813 98 D 4.5518 8.0472 116.2397 54.6194 43.1458 175.8548 *99 M 4.2319 8.0069 122.1173 54.6327 32.0610 180.5985 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 I 8.02 4.07 1.90 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 1.31 1.14 0.93 0.00 0.00 2 Q 7.57 4.33 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.65 0.00 3 R 7.68 4.65 0.00 1.87 1.77 0.00 3.25 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 4 T 8.39 4.60 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 1.25 0.00 0.00 5 P 0.00 5.30 0.00 1.93 2.11 0.00 3.70 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 6 K 8.63 4.67 0.00 1.89 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 7 I 8.28 4.77 1.94 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 1.27 1.04 0.98 0.00 0.00 8 Q 8.74 4.82 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 9 V 8.45 5.11 2.28 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 1.26 0.00 0.00 1.11 0.00 0.00 10 Y 8.51 5.20 0.00 3.22 3.10 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 11 S 9.50 4.89 0.00 4.70 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 0.00 12 R 9.07 4.26 0.00 1.83 2.02 0.00 3.05 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 13 H 8.10 5.25 0.00 3.19 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.26 0.00 2.23 2.14 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 15 A 8.66 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.60 0.00 1.87 1.80 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 2.22 2.26 0.00 17 N 8.76 4.60 0.00 2.91 2.72 0.00 0.00 7.40 7.93 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 18 G 10.27 4.01 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 0.00 19 K 7.45 4.68 0.00 1.81 1.70 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.52 7.81 20 S 8.56 4.81 0.00 3.80 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 21 N 9.14 5.30 0.00 2.25 2.83 0.00 0.00 6.71 8.12 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 22 F 8.93 5.02 0.00 2.89 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 23 L 8.19 4.26 0.00 0.86 1.13 0.27 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.53 4.97 0.00 2.63 2.21 0.00 0.00 6.88 7.24 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 25 C 9.04 5.40 0.00 3.05 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 26 Y 9.07 4.77 0.00 3.19 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 27 V 7.94 4.80 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 1.15 0.00 0.00 0.99 0.00 0.00 28 S 8.85 4.91 0.00 4.03 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 29 G 9.07 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 0.00 0.00 0.00 0.00 30 F 7.21 5.05 0.00 2.87 2.96 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 0.00 31 H 8.71 4.99 0.00 3.21 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.03 0.00 2.10 1.92 0.00 3.83 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 2.04 1.91 0.00 33 S 8.47 3.91 0.00 3.77 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 5.04 0.00 2.60 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 35 I 8.01 4.43 0.56 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 1.17 0.52 0.64 0.00 0.00 36 E 8.19 4.77 0.00 1.93 1.66 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 2.11 2.11 0.00 37 V 7.81 4.74 2.00 0.00 0.00 0.00 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 0.80 0.00 0.00 38 D 9.15 4.68 0.00 2.52 2.35 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 39 L 8.26 5.09 0.00 1.59 1.51 0.89 0.58 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 40 L 9.61 5.16 0.00 1.61 1.68 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.84 5.18 0.00 1.57 1.48 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.30 7.81 42 N 8.99 4.66 0.00 2.84 2.95 0.00 0.00 6.67 7.38 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 43 G 6.80 5.01 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 0.00 44 E 7.11 4.70 0.00 1.96 1.82 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 2.28 2.18 0.00 45 R 8.33 4.47 0.00 1.74 1.81 0.00 3.18 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.12 0.00 46 I 8.49 4.40 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.95 0.00 0.00 47 E 8.56 4.35 0.00 2.10 2.18 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 2.28 2.25 0.00 48 K 7.94 4.15 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.37 7.81 49 V 7.22 3.85 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 0.96 0.00 0.00 0.90 0.00 0.00 50 E 9.07 4.74 0.00 1.29 1.46 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 0.00 2.09 2.28 0.00 51 H 8.49 5.14 0.00 2.58 1.84 0.00 5.32 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.60 4.58 0.00 3.99 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 0.00 53 D 8.93 4.34 0.00 2.66 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 54 L 8.08 3.09 0.00 1.69 1.49 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.31 4.75 0.00 4.16 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 56 F 8.74 4.81 0.00 3.02 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 57 S 8.16 4.76 0.00 3.79 3.71 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 58 K 8.48 3.65 0.00 1.78 1.91 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.13 7.81 59 D 7.34 4.09 0.00 1.99 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.06 4.60 0.00 3.23 2.96 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 0.00 61 S 8.33 3.56 0.00 3.57 3.30 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 62 F 7.27 4.24 0.00 2.81 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 63 Y 8.05 4.74 0.00 2.91 2.61 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 64 L 8.02 4.82 0.00 1.87 1.65 1.02 0.75 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 65 L 8.51 4.92 0.00 1.75 1.56 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.71 4.84 0.00 2.91 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 67 Y 8.49 5.18 0.00 3.21 2.97 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 68 T 8.01 4.76 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 0.86 0.00 0.00 69 E 8.56 4.63 0.00 1.71 1.68 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 2.01 1.56 0.00 70 F 9.15 4.90 0.00 2.72 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 71 T 8.55 5.01 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 1.18 0.00 0.00 72 P 0.00 4.53 0.00 2.07 1.83 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.26 0.00 73 T 8.31 5.74 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 1.31 0.00 0.00 74 E 9.03 4.14 0.00 1.96 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 0.00 2.31 2.42 0.00 75 K 8.02 4.08 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 76 D 7.71 4.69 0.00 2.57 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.59 4.99 0.00 2.07 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 2.46 2.36 0.00 78 Y 9.15 5.15 0.00 2.89 2.97 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 79 A 9.25 5.30 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 80 C 9.63 5.20 0.00 3.01 2.99 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 0.00 0.00 0.00 81 R 9.46 5.25 0.00 1.75 1.66 0.00 2.98 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 82 V 8.86 4.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 83 N 8.99 5.20 0.00 2.52 2.65 0.00 0.00 6.38 8.10 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 84 H 8.47 4.99 0.00 2.99 3.04 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.86 3.70 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 0.78 0.00 0.00 0.83 0.00 0.00 86 T 8.05 4.06 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 1.40 0.00 0.00 87 L 7.53 4.46 0.00 1.67 1.90 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.82 4.28 0.00 3.98 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 89 Q 7.64 4.52 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 90 P 0.00 4.34 0.00 1.91 2.19 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 91 K 8.98 4.39 0.00 1.88 1.68 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.48 7.81 92 I 8.38 5.03 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.94 0.00 0.00 93 V 8.92 4.57 2.15 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 1.15 0.00 0.00 0.98 0.00 0.00 94 K 8.79 4.67 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 95 W 9.51 4.54 0.00 3.38 3.53 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 96 D 7.49 3.65 0.00 2.42 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 97 R 8.50 4.31 0.00 1.78 1.82 0.00 3.05 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 98 D 8.05 4.55 0.00 2.54 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 *99 M 8.01 4.23 0.00 1.74 1.80 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 * Residues marked with a * may have inaccurate shift predictions.