NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0606 8.0093 121.4422 61.1648 38.2576 175.9142 5 D 4.3149 8.2294 126.3652 52.1257 42.1876 175.3331 6 Y 4.2683 8.3461 116.4634 60.7539 38.1790 179.6334 7 K 4.0170 8.1492 120.3216 60.0265 32.3903 178.8684 8 T 3.9941 8.5805 115.9094 66.4295 68.1862 176.4841 9 A 4.0267 8.2197 122.7623 55.1196 18.2261 179.2297 10 F 4.0665 8.0999 117.7039 62.1632 39.5796 176.9632 11 H 4.4335 8.4418 114.1244 57.6530 28.6469 176.6995 12 L 4.4486 8.0514 119.4008 54.3781 41.0941 176.6347 13 A 4.0369 7.2611 124.1323 52.3047 18.6892 176.7707 14 P 4.2338 0.0000 0.0000 64.0127 31.8344 175.9176 15 I 4.6806 6.9197 112.0904 58.5270 40.7364 175.6411 16 G 3.9399 9.0278 111.1037 46.5407 0.0000 172.6260 17 L 5.6127 9.1160 124.1445 52.9217 45.6825 175.7804 18 V 5.1273 9.2596 121.4817 61.4576 35.5220 173.9121 19 L 5.2280 9.2668 128.2492 53.6259 43.1533 175.8202 20 S 5.3362 9.2977 118.9063 56.6925 66.9551 173.3491 21 R 4.7603 8.7766 120.7508 55.5349 33.3544 174.7895 22 D 5.0085 9.4779 126.8489 54.7468 38.7229 174.5231 23 R 4.2153 8.1542 111.6742 57.0599 28.3187 176.0256 24 V 4.4197 7.4816 117.4514 60.8120 33.6802 174.7195 25 I 3.9926 8.2175 128.0602 61.1717 37.1101 176.2757 26 E 4.2815 9.0694 128.1076 58.1883 30.5930 176.4788 27 D 4.9800 7.8945 116.9845 53.3438 44.9148 173.7528 28 C 5.8823 8.9935 117.2464 57.8564 32.9887 172.3806 29 N 4.8778 8.3131 117.3405 51.4889 39.5638 175.6502 30 D 4.4006 8.6702 117.8557 57.2773 40.6705 178.4526 31 E 3.9367 8.1772 119.5884 59.1041 29.6298 178.4097 32 L 4.0272 8.2085 119.5396 58.2327 42.1868 178.4426 33 A 4.0261 7.8464 120.2037 55.2536 18.2792 179.4817 34 A 3.8800 8.3763 119.4025 55.3639 18.2766 179.6755 35 I 3.3477 7.7534 117.3554 64.3318 37.4100 177.7751 36 F 4.3808 7.9882 116.0029 56.1438 39.1880 176.0320 37 R 3.9100 7.8514 116.6056 56.8485 27.7052 174.6597 38 C 4.6149 8.1786 110.8227 57.2197 33.2003 172.9481 39 A 4.5649 9.0277 122.2225 51.1290 19.9045 178.5641 40 R 3.9417 8.7511 119.1119 59.6698 29.8940 179.3432 41 A 3.9753 8.0229 118.4541 55.2395 18.3547 178.8971 42 D 4.4170 7.9958 116.4503 56.5445 41.1526 177.8291 43 L 4.4911 7.9546 118.9645 54.3920 42.3630 176.4993 44 I 3.8172 7.2840 119.8680 62.8733 37.1042 175.9734 45 G 3.8105 9.3772 114.2571 45.4594 0.0000 172.3609 46 R 4.3223 7.7146 120.3666 53.9298 31.3945 175.7875 47 S 4.4360 8.2990 119.6536 58.1193 63.1913 174.7420 48 F 4.2944 9.0091 126.8153 60.7870 38.4771 177.3792 49 E 3.2788 7.6712 118.9907 59.3941 28.8566 179.3122 50 V 3.6906 7.3003 110.5200 63.4629 31.6694 177.6583 51 L 4.2226 7.6917 117.2473 55.0819 40.7669 176.6695 52 Y 4.3172 7.2625 117.0477 56.5631 38.7089 174.8729 53 P 4.5718 0.0000 0.0000 65.6633 31.8032 177.1365 54 S 4.6255 7.5572 111.2434 56.3097 67.0962 175.8923 55 S 4.1632 8.5556 118.2703 61.9648 62.5359 176.6547 56 D 4.3547 8.1291 121.0102 57.3747 40.5650 178.6945 57 E 3.8859 7.9863 118.6396 59.2332 29.5576 178.6984 58 F 2.6201 8.0601 120.7784 61.1407 39.2680 177.1660 59 E 3.5253 8.2309 117.7539 59.2105 29.3026 179.1587 60 R 3.7785 8.1755 118.9978 59.7168 30.0460 178.6322 61 I 3.7894 8.0624 119.9443 64.0745 37.1683 178.4378 62 G 3.3860 7.6035 106.6277 48.0449 0.0000 175.5672 63 E 4.0457 7.9314 122.0679 59.4168 29.4590 179.9578 64 R 4.1694 7.4451 119.9093 61.1365 29.6755 182.3769 65 I 3.4040 7.8523 120.6306 64.1633 36.8046 178.4230 66 S 4.1937 7.5474 114.5022 61.2755 63.0751 174.4472 67 P 4.3549 0.0000 0.0000 65.6847 31.6182 178.1532 68 V 3.7773 7.5439 115.4430 63.6545 31.0161 177.4587 *70 I 4.4799 8.1342 118.7860 61.0560 38.7484 177.0605 71 A 4.0706 8.0503 121.4725 54.6993 18.1882 177.8904 72 H 4.7405 8.1540 110.1355 54.8595 30.6579 175.6592 73 G 3.9970 9.2690 106.5099 45.3754 0.0000 172.7610 74 S 4.8315 7.4574 112.1579 57.3193 66.4830 172.6776 75 Y 4.8492 8.6462 120.4269 56.2724 42.3580 173.4811 76 A 5.0848 7.3671 126.1726 50.7599 22.6524 174.5980 77 D 4.5274 8.9176 119.8472 52.9830 43.5222 173.3907 78 D 5.7013 8.6819 118.1686 52.8543 43.3009 176.1157 79 R 4.6461 8.9308 117.6692 55.0500 33.4565 174.2522 80 I 4.3330 7.2671 120.0175 59.5672 38.4868 175.6803 *82 K 4.3177 8.3229 123.8520 56.4048 32.8925 175.9978 83 R 4.3882 9.2479 125.4430 55.3143 30.8248 175.9269 84 A 4.1672 8.3865 123.4538 54.3717 18.6131 178.5277 85 G 3.9004 8.5499 111.0814 44.7539 0.0000 174.4351 86 G 3.9963 8.1963 107.5234 44.6121 0.0000 173.5081 87 E 4.0968 8.1530 121.9709 56.4139 30.6249 175.4331 88 L 5.0047 8.5890 127.2047 54.0355 43.2627 175.8153 89 F 5.0344 8.1655 116.2990 55.4194 41.8717 172.9370 90 W 4.7571 8.9398 119.4713 56.2712 30.8910 175.1230 91 C 5.3516 9.1784 123.9813 58.1049 34.8565 171.9826 92 H 5.3104 9.4087 126.9356 55.4883 30.9699 173.8955 93 V 5.3916 8.9390 125.4594 60.2377 34.6865 174.2403 94 T 5.1004 8.2346 115.0714 60.1067 72.5277 172.8952 95 G 2.7160 8.7440 109.2214 44.1800 0.0000 171.5736 96 R 4.7444 8.1609 122.1861 53.8467 33.0233 174.6911 97 A 4.6205 8.5666 129.4816 51.6124 19.2709 176.8824 98 L 4.0288 8.6571 123.9141 57.3576 42.4830 177.1359 99 D 4.7465 7.8370 117.8100 51.8889 43.5385 175.9222 100 R 3.9206 8.7273 123.9883 59.2393 29.5567 178.2174 101 T 4.1544 8.2636 106.7184 62.5776 69.8162 174.5358 102 A 4.7884 7.9603 125.8251 49.9808 18.5818 175.0240 103 P 4.3787 0.0000 0.0000 64.2503 32.5049 178.3876 104 L 4.7769 7.9579 116.8000 54.3317 42.7768 175.8843 105 A 5.0167 7.9327 125.8087 50.8500 18.9799 177.4891 106 A 4.8161 8.0971 116.0254 53.2570 19.5731 177.5827 107 G 4.4673 8.3508 104.9510 45.9674 0.0000 171.9295 108 V 5.0982 8.3236 119.8521 60.8536 33.7148 174.4688 109 W 5.4132 9.5905 127.4859 55.0606 33.0734 174.4909 110 T 5.3863 9.0030 113.1588 60.1133 71.8512 172.8358 111 F 5.3672 9.5421 121.3820 55.9747 43.6167 173.3956 112 E 4.9655 9.2788 123.4248 54.3061 32.9447 173.9012 113 D 4.9102 9.0521 127.1805 54.3851 41.8795 175.4478 114 L 4.6525 8.7299 124.8195 55.0389 41.9767 177.9571 115 S 4.2642 8.9354 117.8570 61.4882 62.9407 175.3141 116 A 4.1563 7.7675 121.7625 51.7343 18.7586 177.1993 117 T 3.8691 8.4538 118.4030 63.9444 68.9919 174.3393 118 R 4.0134 8.5809 127.9205 56.5371 30.6079 177.1106 119 R 4.0799 8.5280 122.1643 55.6406 30.0960 172.4893 120 V 4.1955 8.1689 122.9358 59.6829 32.4911 175.2542 121 A 4.1717 8.7074 129.3082 52.7435 18.1113 176.7500 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 4 I 8.01 4.06 1.83 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 1.46 1.05 0.91 0.00 0.00 5 D 8.23 4.31 0.00 2.97 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 6 Y 8.35 4.27 0.00 3.07 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 7 K 8.15 4.02 0.00 1.89 2.01 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.68 7.81 8 T 8.58 3.99 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 9 A 8.22 4.03 1.50 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 0.00 0.00 10 F 8.10 4.07 0.00 3.14 3.31 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 11 H 8.44 4.43 0.00 3.32 3.41 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.05 4.45 0.00 1.79 1.86 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.26 4.04 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 14 P 0.00 4.23 0.00 2.21 2.20 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 15 I 6.92 4.68 2.09 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 1.19 0.79 0.96 0.00 0.00 16 G 9.03 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 0.00 0.00 0.00 17 L 9.12 5.61 0.00 0.95 1.53 0.81 0.53 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 18 V 9.26 5.13 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 1.30 0.00 0.00 1.21 0.00 0.00 19 L 9.27 5.23 0.00 1.67 1.62 0.62 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.30 5.34 0.00 4.03 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 0.00 21 R 8.78 4.76 0.00 1.90 1.77 0.00 3.25 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 22 D 9.48 5.01 0.00 2.89 2.71 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 23 R 8.15 4.22 0.00 2.30 2.44 0.00 2.92 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 24 V 7.48 4.42 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 0.89 0.00 0.00 0.95 0.00 0.00 25 I 8.22 3.99 1.90 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 0.74 -0.34 0.88 0.00 0.00 26 E 9.07 4.28 0.00 1.95 1.98 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 2.44 2.40 0.00 27 D 7.89 4.98 0.00 2.64 2.39 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 28 C 8.99 5.88 0.00 3.18 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 29 N 8.31 4.88 0.00 2.70 2.37 0.00 0.00 5.94 8.07 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 30 D 8.67 4.40 0.00 2.73 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 31 E 8.18 3.94 0.00 2.07 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 0.00 2.46 2.50 0.00 32 L 8.21 4.03 0.00 1.87 1.82 0.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.85 4.03 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 34 A 8.38 3.88 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 35 I 7.75 3.35 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.26 0.00 0.00 36 F 7.99 4.38 0.00 3.08 3.06 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 0.00 0.00 0.00 37 R 7.85 3.91 0.00 1.96 1.97 0.00 3.23 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 38 C 8.18 4.61 0.00 3.23 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 39 A 9.03 4.56 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 40 R 8.75 3.94 0.00 1.89 2.05 0.00 3.31 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 41 A 8.02 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 42 D 8.00 4.42 0.00 2.82 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 43 L 7.95 4.49 0.00 1.75 1.59 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.28 3.82 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.96 0.00 0.00 45 G 9.38 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 0.00 0.00 0.00 46 R 7.71 4.32 0.00 1.82 1.73 0.00 3.07 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 47 S 8.30 4.44 0.00 3.77 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 48 F 9.01 4.29 0.00 3.34 3.29 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 49 E 7.67 3.28 0.00 1.16 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 1.72 1.95 0.00 50 V 7.30 3.69 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 0.69 0.00 0.00 0.86 0.00 0.00 51 L 7.69 4.22 0.00 1.39 1.02 0.05 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.26 4.32 0.00 3.18 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 53 P 0.00 4.57 0.00 2.06 2.11 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 54 S 7.56 4.63 0.00 4.14 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 55 S 8.56 4.16 0.00 3.90 3.99 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 56 D 8.13 4.35 0.00 2.69 2.71 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 57 E 7.99 3.89 0.00 2.25 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 2.35 2.49 0.00 58 F 8.06 2.62 0.00 2.77 3.13 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 59 E 8.23 3.53 0.00 2.05 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 2.63 2.46 0.00 60 R 8.18 3.78 0.00 1.85 1.98 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 61 I 8.06 3.79 1.72 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.98 0.00 0.00 62 G 7.60 3.39 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 0.00 63 E 7.93 4.05 0.00 2.04 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 2.26 2.31 0.00 64 R 7.45 4.17 0.00 1.91 1.84 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 65 I 7.85 3.40 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.68 0.81 0.00 0.00 66 S 7.55 4.19 0.00 3.83 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 67 P 0.00 4.35 0.00 2.24 2.31 0.00 3.88 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 2.10 1.96 0.00 68 V 7.54 3.78 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 1.15 0.00 0.00 1.13 0.00 0.00 *70 I 8.13 4.48 1.92 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 1.43 1.82 0.90 0.00 0.00 71 A 8.05 4.07 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 72 H 8.15 4.74 0.00 3.27 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.27 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 74 S 7.46 4.83 0.00 3.75 3.75 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 75 Y 8.65 4.85 0.00 3.08 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 76 A 7.37 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.92 4.53 0.00 2.80 2.56 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 78 D 8.68 5.70 0.00 2.75 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 79 R 8.93 4.65 0.00 1.77 2.06 0.00 3.12 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.79 0.00 80 I 7.27 4.33 1.38 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 -0.30 -0.36 0.56 0.00 0.00 *82 K 8.32 4.32 0.00 1.81 1.88 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.68 7.81 83 R 9.25 4.39 0.00 1.86 1.77 0.00 3.05 0.00 0.00 2.89 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.61 0.00 84 A 8.39 4.17 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 85 G 8.55 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 86 G 8.20 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 87 E 8.15 4.10 0.00 2.08 1.85 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 2.44 2.39 0.00 88 L 8.59 5.00 0.00 1.57 1.51 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.17 5.03 0.00 3.17 3.04 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 90 W 8.94 4.76 0.00 3.35 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 91 C 9.18 5.35 0.00 2.48 2.71 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 92 H 9.41 5.31 0.00 3.28 3.23 0.00 5.58 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 93 V 8.94 5.39 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 0.85 0.00 0.00 0.81 0.00 0.00 94 T 8.23 5.10 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 1.09 0.00 0.00 95 G 8.74 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 0.00 0.00 0.00 96 R 8.16 4.74 0.00 1.68 1.59 0.00 3.04 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 97 A 8.57 4.62 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 98 L 8.66 4.03 0.00 1.71 1.74 0.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.84 4.75 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.73 3.92 0.00 2.03 2.18 0.00 3.23 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 101 T 8.26 4.15 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 1.21 0.00 0.00 102 A 7.96 4.79 1.27 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 0.00 103 P 0.00 4.38 0.00 2.23 2.33 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 104 L 7.96 4.78 0.00 1.71 1.69 0.80 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.93 5.02 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 0.00 106 A 8.10 4.82 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 0.00 107 G 8.35 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 5.10 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 1.14 0.00 0.00 0.99 0.00 0.00 109 W 9.59 5.41 0.00 3.68 3.07 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 0.00 0.00 0.00 110 T 9.00 5.39 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 1.24 0.00 0.00 111 F 9.54 5.37 0.00 3.12 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 0.00 112 E 9.28 4.97 0.00 2.11 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 2.28 2.30 0.00 113 D 9.05 4.91 0.00 2.71 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 0.00 114 L 8.73 4.65 0.00 1.85 1.73 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.94 4.26 0.00 3.90 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 0.00 116 A 7.77 4.16 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 0.00 117 T 8.45 3.87 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 1.20 0.00 0.00 118 R 8.58 4.01 0.00 1.78 1.86 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 119 R 8.53 4.08 0.00 1.83 1.72 0.00 3.23 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 120 V 8.17 4.20 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 0.95 0.00 0.00 0.91 0.00 0.00 121 A 8.71 4.17 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 * Residues marked with a * may have inaccurate shift predictions.