NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4410 8.1749 117.3735 63.6551 70.0867 172.9432 2 T 4.5561 8.8271 121.4948 60.0130 71.6672 171.4254 3 I 5.0910 9.2620 121.0676 59.2391 41.1342 174.7019 4 V 4.6626 8.9113 116.8602 59.9104 36.6339 174.4117 5 G 4.5489 8.5069 107.9365 44.7979 0.0000 172.3648 6 V 4.6050 9.1401 123.8527 61.0884 34.9508 174.3777 7 K 4.7503 8.8660 127.5829 55.8434 33.0538 175.9024 8 F 5.0987 8.2426 117.9092 54.3116 41.0826 175.2445 9 N 4.2861 9.1639 117.3402 55.7916 36.6080 174.9806 10 N 4.9147 7.7503 114.7774 52.0531 40.7839 174.5526 11 G 3.6037 5.8580 104.0101 45.2900 0.0000 172.6530 12 V 5.0240 8.0501 120.2513 60.4647 34.4772 174.5805 13 V 4.8157 9.3365 122.4785 60.0070 34.7965 174.3715 14 I 5.2146 8.3288 114.4576 59.4474 40.7725 173.8561 15 A 4.9047 8.7885 124.3903 50.9634 23.1517 174.3979 16 A 5.5143 8.4471 118.6204 52.1857 22.2804 176.1928 17 D 4.7941 8.4617 119.3887 52.5001 42.2211 176.5387 18 T 4.7941 8.2614 107.7599 61.6401 70.5407 172.8521 19 R 4.9457 8.2054 121.7635 55.5941 31.6144 175.4487 20 S 4.9563 8.8607 120.1021 56.6991 65.4420 172.7342 21 T 5.1816 8.5063 115.2727 60.1614 72.5351 173.5260 22 Q 4.1677 8.7484 120.9077 54.2740 31.7468 175.3478 23 G 3.6628 8.8101 116.9261 46.3569 0.0000 171.5228 24 P 4.5718 0.0000 0.0000 62.8344 31.9635 175.8385 25 I 4.2176 7.6592 121.5106 59.8271 38.3480 175.1118 26 V 4.0849 8.2775 125.0428 62.3711 31.4296 175.5081 27 A 4.1514 8.8766 131.8523 54.4131 18.8264 177.0890 28 D 4.8143 7.7743 114.4344 52.5730 43.8625 175.8221 29 K 4.3433 8.6776 124.4550 57.4606 33.3058 176.6137 30 N 5.1688 8.1555 117.4929 52.5888 38.3986 172.8326 31 C 4.6214 8.5422 116.0456 57.7324 32.2799 174.7152 32 A 4.6132 8.3869 120.6167 50.2894 19.9442 176.1706 33 K 4.3460 8.7080 120.4930 57.2920 33.5909 176.2015 34 L 5.1031 7.7379 121.1255 53.6015 43.0187 175.5556 35 H 4.9267 9.8737 121.9215 53.8462 32.6376 172.9550 36 R 3.3075 7.8822 121.3429 54.6661 30.2750 175.9388 37 I 3.8612 8.1462 128.5842 63.5362 37.8922 176.0050 38 S 4.5804 7.2962 112.2471 55.9249 66.0099 172.6452 39 P 4.3744 0.0000 0.0000 65.3842 31.1532 177.9063 40 K 4.7759 8.1303 115.4029 55.9894 32.8586 175.3707 41 I 4.9785 8.0213 120.3569 59.7492 40.0283 174.5559 42 W 5.1060 9.0283 126.9308 55.0853 32.1925 174.9269 43 C 5.4194 9.6575 121.3981 57.7382 34.9812 172.3052 44 A 5.2942 9.2470 127.5432 50.2313 20.9428 175.7554 45 G 4.5967 9.1001 109.6200 44.3706 0.0000 172.2006 46 A 4.9296 9.6388 124.3887 49.4076 23.2878 177.1142 47 G 4.1639 9.0516 104.5291 45.0269 0.0000 177.6310 48 T 4.2813 9.6905 129.0792 61.8833 68.3294 174.7614 49 A 3.9581 8.7656 128.9240 55.5795 18.3169 178.6643 50 A 3.9488 8.0807 117.9631 55.5041 18.3708 179.5114 51 D 4.2318 7.9879 116.8838 57.7108 41.0681 178.8881 52 T 3.8049 8.0722 110.4845 64.6808 68.6478 176.1498 53 E 3.7227 8.3086 121.8908 58.8255 29.7507 178.6330 54 A 3.9177 8.0322 121.0510 55.2182 18.5103 180.0627 55 V 3.5087 7.8479 117.7543 65.1907 31.5275 178.7416 56 T 3.8162 7.6523 115.9621 66.4363 68.2470 176.6880 57 Q 3.9868 8.0641 120.0298 58.3165 28.7495 178.2941 58 L 3.8415 7.8744 121.4412 58.3648 42.2312 179.2052 59 I 3.7731 7.7758 119.8889 64.0257 36.8886 178.6310 60 G 3.5580 7.9080 106.5360 47.7932 0.0000 175.5285 61 S 4.0552 8.4363 116.2484 61.2842 62.3896 176.0785 62 N 4.3694 8.2694 119.0580 56.3145 38.1174 177.5258 63 I 3.7080 8.2480 121.7643 64.1409 37.1236 178.0273 64 E 3.9146 8.3835 120.3093 59.4347 29.5557 178.9502 65 L 4.0288 8.0010 118.9564 58.0467 41.6148 179.0623 66 H 4.2035 8.6138 118.7834 58.9924 29.7505 177.3503 67 S 4.0940 8.4676 115.3887 61.4083 62.0788 176.0618 68 L 3.9963 7.8502 120.3461 58.1485 41.4669 178.7528 69 Y 4.1154 8.1341 118.4659 59.7876 38.7351 176.8579 70 T 4.4554 8.0737 108.6082 60.3914 69.2718 174.8029 71 S 4.1322 8.0527 116.3287 59.7579 61.1870 172.0740 72 R 4.7785 7.2492 116.2629 53.9706 33.6273 175.4451 73 E 4.2089 8.5174 119.1954 55.5838 30.1702 175.6311 74 P 4.4717 0.0000 0.0000 62.6603 32.4083 176.0463 75 R 4.8183 8.1410 119.8357 54.4257 32.4794 177.7402 76 V 3.6237 9.0621 121.3964 66.2866 31.6430 179.0897 77 V 3.6544 7.8006 111.3784 64.0254 31.3342 178.5519 78 S 4.1305 7.9416 115.1448 61.2996 62.7894 176.2922 79 A 3.9808 7.9017 123.0187 55.0948 18.1398 179.2909 80 L 3.9121 8.1804 119.0245 58.1276 42.1178 179.0060 81 Q 3.9710 7.9140 119.2676 59.1441 29.0206 177.8869 82 M 4.0567 8.1116 119.7357 58.2564 31.9308 178.6823 83 L 3.9741 8.0343 119.3258 57.7589 41.8252 179.7519 84 K 4.0007 8.0244 118.7136 60.2607 32.5560 179.0871 85 Q 4.0830 8.2802 118.9730 58.3355 28.3630 178.1338 86 H 4.2602 7.9228 118.6046 59.3003 30.2156 176.8725 87 L 4.1819 8.2466 121.0516 57.8429 41.4475 179.2738 88 F 3.9653 8.5325 120.6884 61.1260 39.0670 176.8442 89 K 3.8214 7.8309 117.7655 59.4659 32.0334 177.1521 90 Y 4.2245 7.6893 115.3851 57.9564 38.6596 176.0291 91 Q 2.8969 7.7045 117.6589 56.9266 26.1336 176.4032 *93 G 4.0289 7.7186 107.0269 45.4720 0.0000 175.0289 94 H 4.2085 8.7384 117.3648 57.8920 28.7981 175.5116 95 I 4.1780 6.9464 120.8497 59.6405 36.9564 176.9867 96 G 4.0355 9.0579 118.4725 46.0802 0.0000 171.0624 97 A 5.0725 7.2941 119.8009 50.3228 21.8992 177.0012 98 Y 4.5355 8.9980 120.3606 56.2909 40.8691 174.8643 99 L 5.3687 8.6946 123.5383 52.9124 45.6991 176.6747 100 I 4.4848 9.0002 123.4605 59.8147 39.0396 174.6387 101 V 4.8261 8.3748 126.9412 60.0228 32.9654 175.0771 102 A 4.8427 9.9685 125.9111 49.2444 23.2955 174.9022 103 G 4.4535 7.6914 108.9959 45.5745 0.0000 172.1022 104 V 4.5262 7.8481 113.1245 59.4622 34.2277 176.1665 105 D 4.2838 8.4075 121.7450 53.8313 39.0938 174.9995 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 T 8.17 4.44 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 1.23 0.00 0.00 2 T 8.83 4.56 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 1.22 0.00 0.00 3 I 9.26 5.09 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 4 V 8.91 4.66 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 0.71 0.00 0.00 0.95 0.00 0.00 5 G 8.51 4.55 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 6 V 9.14 4.61 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 1.05 0.00 0.00 0.96 0.00 0.00 7 K 8.87 4.75 0.00 1.69 1.66 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.38 7.81 8 F 8.24 5.10 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 9 N 9.16 4.29 0.00 2.87 3.10 0.00 0.00 5.65 8.04 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 10 N 7.75 4.91 0.00 2.67 2.90 0.00 0.00 6.81 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 11 G 5.86 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 12 V 8.05 5.02 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 0.74 0.00 0.00 1.03 0.00 0.00 13 V 9.34 4.82 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 1.07 0.00 0.00 0.92 0.00 0.00 14 I 8.33 5.21 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.98 0.00 0.00 15 A 8.79 4.90 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 16 A 8.45 5.51 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 17 D 8.46 4.79 0.00 2.70 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 18 T 8.26 4.79 4.32 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 1.22 0.00 0.00 19 R 8.21 4.95 0.00 1.88 2.02 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 20 S 8.86 4.96 0.00 3.93 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 21 T 8.51 5.18 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 1.21 0.00 0.00 22 Q 8.75 4.17 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.85 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 23 G 8.81 3.66 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 24 P 0.00 4.57 0.00 2.19 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 25 I 7.66 4.22 2.00 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 1.18 0.92 0.91 0.00 0.00 26 V 8.28 4.08 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.88 4.15 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 28 D 7.77 4.81 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 4.34 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.42 7.81 30 N 8.16 5.17 0.00 2.71 2.69 0.00 0.00 7.15 7.13 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 31 C 8.54 4.62 0.00 3.03 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 32 A 8.39 4.61 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 33 K 8.71 4.35 0.00 1.76 2.07 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 34 L 7.74 5.10 0.00 1.59 1.85 1.00 1.05 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 35 H 9.87 4.93 0.00 2.92 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.88 3.31 0.00 0.67 1.16 0.00 3.12 0.00 0.00 2.97 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 37 I 8.15 3.86 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.85 0.00 0.00 38 S 7.30 4.58 0.00 3.93 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 39 P 0.00 4.37 0.00 2.13 2.28 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 40 K 8.13 4.78 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.51 7.81 41 I 8.02 4.98 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 1.01 0.00 0.00 42 W 9.03 5.11 0.00 3.27 3.23 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 43 C 9.66 5.42 0.00 2.93 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 44 A 9.25 5.29 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 45 G 9.10 4.60 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 46 A 9.64 4.93 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 47 G 9.05 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 48 T 9.69 4.28 4.38 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 1.22 0.00 0.00 49 A 8.77 3.96 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 50 A 8.08 3.95 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 51 D 7.99 4.23 0.00 2.91 2.67 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 0.00 0.00 0.00 0.00 52 T 8.07 3.80 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 1.31 0.00 0.00 53 E 8.31 3.72 0.00 2.13 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 2.31 2.34 0.00 54 A 8.03 3.92 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 55 V 7.85 3.51 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 0.83 0.00 0.00 0.88 0.00 0.00 56 T 7.65 3.82 4.38 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 1.11 0.00 0.00 57 Q 8.06 3.99 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 58 L 7.87 3.84 0.00 1.79 1.68 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.78 3.77 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.18 0.87 0.00 0.00 60 G 7.91 3.56 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 0.00 0.00 0.00 0.00 61 S 8.44 4.06 0.00 3.88 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 62 N 8.27 4.37 0.00 2.74 2.82 0.00 0.00 7.12 6.80 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 63 I 8.25 3.71 2.07 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 1.58 0.94 0.90 0.00 0.00 64 E 8.38 3.91 0.00 2.01 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 0.00 2.31 2.36 0.00 65 L 8.00 4.03 0.00 1.91 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.61 4.20 0.00 3.22 3.43 0.00 5.59 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 67 S 8.47 4.09 0.00 4.04 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 68 L 7.85 4.00 0.00 1.93 1.77 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.13 4.12 0.00 3.08 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 70 T 8.07 4.46 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 71 S 8.05 4.13 0.00 4.03 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 0.00 72 R 7.25 4.78 0.00 1.66 1.80 0.00 3.19 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 73 E 8.52 4.21 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.47 0.00 2.05 1.99 0.00 3.67 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 2.04 2.13 0.00 75 R 8.14 4.82 0.00 1.86 1.90 0.00 3.14 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.06 3.62 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 1.12 0.00 0.00 1.04 0.00 0.00 77 V 7.80 3.65 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 0.90 0.00 0.00 0.93 0.00 0.00 78 S 7.94 4.13 0.00 4.03 3.81 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 79 A 7.90 3.98 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 80 L 8.18 3.91 0.00 1.88 1.85 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.91 3.97 0.00 2.39 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.11 4.06 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.53 0.00 83 L 8.03 3.97 0.00 1.73 1.71 0.91 0.85 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 84 K 8.02 4.00 0.00 2.02 2.17 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 Q 8.28 4.08 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 86 H 7.92 4.26 0.00 3.28 3.57 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.25 4.18 0.00 1.77 1.70 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.53 3.97 0.00 3.28 3.23 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 89 K 7.83 3.82 0.00 2.02 1.95 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.98 1.33 7.81 90 Y 7.69 4.22 0.00 2.95 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 91 Q 7.70 2.90 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.42 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 *93 G 7.72 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 94 H 8.74 4.21 0.00 3.31 3.40 0.00 5.65 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 95 I 6.95 4.18 1.77 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.23 0.80 0.00 0.00 96 G 9.06 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 97 A 7.29 5.07 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 98 Y 9.00 4.54 0.00 3.06 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 99 L 8.69 5.37 0.00 1.51 1.65 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.00 4.48 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.96 0.00 0.00 101 V 8.37 4.83 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.97 4.84 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 0.00 103 G 7.69 4.45 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 0.00 104 V 7.85 4.53 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 0.74 0.00 0.00 0.97 0.00 0.00 105 D 8.41 4.28 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.