NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7122 8.3393 109.7291 45.5981 0.0000 172.9353 *2 T 4.0571 8.0326 110.6067 61.4135 71.1946 174.2489 3 D 4.4096 8.4102 120.5103 57.1766 40.6778 179.1118 4 W 4.3403 8.1611 116.9341 59.6721 28.2367 178.3706 5 Q 3.4574 6.8871 118.9112 58.3778 27.9982 178.4023 6 Q 3.9206 8.3252 120.8001 59.1200 28.9974 178.3646 7 A 4.1226 8.1706 121.6579 55.2026 18.4335 179.6234 8 L 4.1613 8.3889 117.7583 58.1218 41.7851 179.1225 9 D 4.7652 8.5860 118.3120 57.5419 41.1310 178.2879 10 R 3.8770 8.2742 119.0086 60.0344 30.2228 178.2939 11 H 4.3632 8.6161 116.0845 58.7024 28.7434 178.0991 12 V 3.7746 8.5808 120.8250 65.7389 31.2951 178.2898 13 G 2.9808 8.0224 105.6557 47.3702 0.0000 175.8013 14 V 3.5334 7.8191 120.6431 65.6809 31.5974 178.0298 15 G 3.1892 7.8387 105.4240 47.8594 0.0000 175.7154 16 V 3.2805 7.4172 120.8252 65.5321 31.4624 178.3988 17 R 3.8041 7.9747 118.5209 59.3164 29.8652 179.1751 18 T 3.7883 7.9353 109.8567 65.0164 68.6187 176.7516 19 T 3.7076 7.6807 118.5931 66.2068 68.4224 176.4346 20 R 3.8427 8.0204 120.6676 59.6349 29.8584 178.3298 21 D 4.3545 7.7839 117.3958 57.2756 41.0998 178.4540 22 L 4.0819 7.9793 119.4818 57.8352 41.6224 179.5582 23 I 3.7452 7.9566 119.9056 64.5362 36.9070 178.5311 24 R 4.1869 7.8815 116.8273 58.3021 29.9033 178.3873 25 L 4.3012 7.7449 118.4054 55.8077 42.0715 177.5099 26 I 3.7201 7.1157 120.3757 61.2461 37.5378 175.7921 27 Q 4.4328 8.5831 124.5862 54.0183 30.2571 174.9670 28 P 4.5864 0.0000 0.0000 66.1852 31.0475 178.4124 29 E 4.1062 8.2079 115.0858 58.2666 29.8296 177.0476 30 D 4.6968 8.1142 118.5079 54.3355 41.8764 178.4246 31 W 4.3827 7.8481 119.4738 59.7219 29.0925 177.2900 32 D 4.8764 8.1173 114.6004 54.1817 41.1095 176.8568 33 K 4.1052 7.8659 120.3752 56.6664 31.8815 176.3633 34 R 4.7912 8.0395 121.2724 53.2966 30.4927 174.3524 35 P 4.1192 0.0000 0.0000 64.0773 31.9386 176.5411 36 I 4.2339 6.5651 116.3440 58.7292 37.4764 174.9535 37 S 4.3147 8.3980 120.5043 59.8899 63.0285 174.8303 38 G 3.9798 9.1617 112.4761 44.8711 0.0000 172.7647 39 K 4.6403 7.4267 117.4624 53.7597 34.9766 175.8079 40 R 4.1993 8.5380 118.6389 56.9076 30.4245 177.6911 41 S 4.6134 8.7815 116.4766 57.7275 65.2090 175.6250 42 V 3.8483 8.5040 121.4845 66.7255 31.0812 177.4774 43 Y 4.6403 8.6213 119.1073 61.0094 38.8239 177.7563 44 E 3.7402 8.4682 119.6458 59.0647 29.4407 179.4198 45 V 3.4768 8.1510 118.3609 65.9413 31.6093 177.8050 46 A 3.9552 8.1049 120.4515 55.3076 18.3676 179.7928 47 V 3.3729 7.6105 116.6761 66.1878 31.6413 177.6975 48 H 4.1685 7.9544 117.5338 59.2792 29.4865 177.0914 49 L 3.8494 7.8050 119.3694 57.8831 41.5358 179.1015 50 A 4.1153 8.1722 120.5004 54.6083 18.2707 179.2405 51 V 4.3216 7.9369 110.2430 61.1536 32.5052 178.2082 52 L 4.1361 7.8549 119.9124 58.6204 39.7873 179.2406 53 L 4.0891 7.9816 119.6257 57.2872 41.4662 178.6750 54 E 3.8790 8.1470 118.5568 58.5297 29.7827 177.7905 55 A 3.2019 7.9635 120.8971 55.4088 18.4432 179.4374 56 D 4.3984 8.4591 117.3589 57.5378 40.7798 179.0594 57 L 4.0163 7.5189 119.8485 57.2906 41.6068 179.7240 58 R 3.7165 7.9689 118.5524 59.2428 29.8679 178.7305 59 I 3.5784 7.7403 119.6848 64.6747 37.0430 178.2809 60 A 2.7137 7.3487 121.2951 54.0657 17.7755 178.6828 61 T 4.4704 6.8587 105.5234 61.3771 69.2530 175.2260 62 G 4.0958 7.3973 110.7518 45.7275 0.0000 174.2056 63 A 4.1770 7.6095 122.4533 51.8284 18.8018 178.7714 64 T 4.0922 8.2113 111.8617 60.3869 70.1321 174.9734 65 A 3.1541 7.8504 124.6841 55.1225 18.5708 178.7987 66 D 4.4172 7.9004 114.8103 57.4145 41.6932 178.3244 67 E 4.1077 7.8404 115.3669 56.8904 29.0236 178.4597 *69 A 4.4520 8.0865 124.3967 52.3775 20.4558 179.7940 70 Q 4.0105 8.1677 115.9186 59.0576 29.5724 177.4118 71 F 4.1730 8.3843 120.3695 61.3867 39.4832 176.9407 72 Y 4.3220 7.8578 116.0087 60.7327 37.8335 176.9511 73 A 4.1475 7.8342 121.1528 53.5236 18.7895 177.6290 74 V 3.6924 7.2081 117.3031 61.5060 31.7356 174.0276 75 P 4.2696 0.0000 0.0000 62.6002 31.7966 176.0254 76 V 4.1563 8.0910 121.6165 60.8138 32.1357 175.0826 77 L 4.2324 8.6866 127.9567 53.5861 42.0386 176.7330 78 P 3.7780 0.0000 0.0000 65.6387 31.1857 178.3667 79 E 4.1014 7.9207 113.7399 58.0691 30.0337 177.6457 80 Q 4.4447 8.1562 118.5325 55.7433 29.0676 177.1593 81 L 3.9531 7.4735 121.4740 57.8532 41.6876 179.4737 82 V 3.5889 7.7558 117.4892 66.1918 31.5920 177.3949 83 D 4.3947 8.1802 118.1365 57.5000 40.6418 178.8834 84 R 3.8510 8.2666 119.3440 59.2580 30.1166 178.0270 85 L 4.2647 8.0657 121.8083 57.7837 42.0209 178.7535 86 D 4.5623 8.3657 118.6361 57.4195 40.7552 178.5294 87 Q 4.0446 8.1473 119.9892 59.4363 28.5743 178.5564 88 S 4.2597 8.3135 116.1362 61.4687 62.8038 176.5463 89 W 4.6667 8.8745 131.5502 60.6027 30.4823 177.8563 90 Q 3.6551 8.3725 119.6908 59.0511 28.4682 177.5402 91 Y 3.8671 8.1505 120.6581 60.7620 38.8203 177.3121 92 Y 4.1221 8.4813 120.5289 61.0469 38.7281 178.1554 93 Q 3.8041 7.9045 117.6698 58.9638 28.7408 178.3344 94 D 4.3377 7.7122 119.0901 57.3602 40.8982 178.7439 95 R 3.9589 7.4581 117.6698 58.6998 29.9966 178.5854 96 L 3.8650 7.4906 115.9192 55.5066 42.1887 176.2039 *98 A 3.9496 7.3893 119.1679 51.6609 19.4857 176.1031 99 D 4.3288 8.8009 121.9426 54.7814 40.7504 175.5707 100 F 4.8729 8.4509 123.7965 55.8604 40.1590 175.7939 101 S 4.6848 8.5731 117.8864 56.7026 63.7322 174.4843 102 T 4.9075 8.1754 115.2942 59.8177 70.6730 173.6114 103 E 4.8648 8.7960 121.3683 54.4562 33.8619 175.7981 104 T 4.2197 8.5170 118.4226 63.9416 69.3274 174.7096 105 T 3.9166 8.7273 117.0171 61.0443 69.5576 175.0535 106 Y 4.1686 8.0677 119.9674 59.4437 38.1594 176.7811 107 W 4.3612 6.8064 114.8323 56.4729 28.8116 176.6231 108 G 3.9842 7.0677 107.7781 45.4212 0.0000 173.6950 109 V 3.8414 7.3515 120.4926 62.2037 32.1758 175.0618 110 T 4.9614 8.0802 123.1553 61.9838 70.8505 172.9415 111 D 4.4177 8.2293 122.8756 51.7996 44.0876 174.6835 112 S 4.4760 8.1344 118.5247 58.0070 65.2133 175.2534 113 T 3.6949 8.2608 118.6964 67.2995 68.0916 176.9095 114 T 3.6450 7.6513 116.9981 66.3134 68.3754 176.8558 115 G 3.6721 8.0967 109.2925 47.0442 0.0000 175.8145 116 W 4.3831 8.3894 121.5660 59.5359 28.9519 178.5875 117 L 4.4020 8.4809 119.0771 57.9340 41.1094 179.4069 118 L 4.1521 8.2986 120.3512 58.0721 41.9995 178.5049 119 E 3.9928 8.7553 119.6502 59.3300 29.5457 178.7560 120 A 4.4134 8.5403 120.6934 54.8681 18.5035 179.2944 121 A 4.0449 8.0806 119.4592 55.8198 18.5149 180.4494 122 V 3.7534 8.1120 110.6270 64.6294 31.5558 178.3664 123 H 4.2942 8.6561 118.4330 59.0402 29.6686 177.0255 124 L 3.8654 8.1859 122.1871 58.5644 41.9752 178.7226 125 Y 3.9436 8.2240 116.6256 60.9096 37.7977 177.6721 126 H 4.0681 8.5671 119.5135 59.9429 29.9829 176.9889 127 H 4.3170 8.2081 117.3656 58.0852 28.5083 177.7125 128 R 3.7130 8.2863 121.4533 59.3208 29.7888 178.3710 129 S 4.0026 7.9108 112.8239 61.3476 62.2936 175.7660 130 Q 3.7578 7.6688 121.6511 59.1639 28.6910 178.2206 131 L 3.5416 7.7178 121.1611 57.8388 41.9944 178.6057 132 L 3.8339 8.0459 120.5724 58.2885 42.0309 178.6663 133 D 4.3840 8.4357 119.1888 57.5361 40.8381 178.4079 134 Y 4.1949 8.2914 117.3952 61.2625 37.9370 178.7909 135 L 3.5898 8.0184 119.8793 57.7163 41.6263 179.3929 136 N 4.4360 8.5218 116.8459 56.2561 38.2351 177.3643 137 L 4.0923 8.2852 120.0304 57.4042 41.6986 178.5303 138 L 4.5833 7.5627 116.4467 54.2909 41.7029 177.3459 139 G 3.9716 7.9993 106.7190 46.2122 0.0000 174.8181 140 Y 3.9616 8.2614 118.4119 58.5188 38.5813 175.1471 141 D 4.3578 8.2452 118.1160 55.1116 39.3899 173.8090 142 I 3.9521 8.5115 119.8911 61.7103 38.0175 177.5452 143 K 4.6172 8.4473 125.9543 55.7795 32.9136 175.7281 144 L 4.3171 7.7919 120.3111 53.3813 43.1421 174.9999 145 D 4.4272 8.6090 125.5825 54.5745 40.8449 175.5853 146 L 4.1808 8.4495 126.9633 55.8150 42.4593 177.1657 147 F 4.4343 8.1507 121.9850 57.6428 39.9421 174.2917 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 G 8.34 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 0.00 0.00 0.00 *2 T 8.03 4.06 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 1.21 0.00 0.00 3 D 8.41 4.41 0.00 2.86 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 4 W 8.16 4.34 0.00 3.62 3.34 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 5 Q 6.89 3.46 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 6 Q 8.33 3.92 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 7 A 8.17 4.12 1.57 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 0.00 0.00 8 L 8.39 4.16 0.00 1.96 2.15 1.47 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.59 4.77 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.27 3.88 0.00 2.03 2.16 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 11 H 8.62 4.36 0.00 3.41 3.39 0.00 5.67 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 12 V 8.58 3.77 2.40 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 0.69 0.00 0.00 1.10 0.00 0.00 13 G 8.02 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 0.00 0.00 0.00 14 V 7.82 3.53 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 0.97 0.00 0.00 0.96 0.00 0.00 15 G 7.84 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 0.00 0.00 0.00 16 V 7.42 3.28 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 0.70 0.00 0.00 0.30 0.00 0.00 17 R 7.97 3.80 0.00 1.72 1.87 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 18 T 7.94 3.79 4.07 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 1.07 0.00 0.00 19 T 7.68 3.71 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 1.11 0.00 0.00 20 R 8.02 3.84 0.00 1.95 2.03 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 D 7.78 4.35 0.00 2.82 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 22 L 7.98 4.08 0.00 1.77 1.60 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.96 3.75 2.05 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 1.61 0.74 1.13 0.00 0.00 24 R 7.88 4.19 0.00 1.97 2.03 0.00 3.27 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 25 L 7.74 4.30 0.00 1.79 1.91 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.12 3.72 1.27 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 -0.57 0.00 0.00 27 Q 8.58 4.43 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 28 P 0.00 4.59 0.00 2.30 2.47 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 29 E 8.21 4.11 0.00 2.11 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 0.00 2.27 2.27 0.00 30 D 8.11 4.70 0.00 2.69 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 31 W 7.85 4.38 0.00 3.54 3.22 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 32 D 8.12 4.88 0.00 2.72 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 33 K 7.87 4.11 0.00 2.00 1.68 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.42 7.81 34 R 8.04 4.79 0.00 1.76 1.75 0.00 3.14 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 35 P 0.00 4.12 0.00 1.61 1.93 0.00 2.49 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.85 0.00 36 I 6.57 4.23 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.94 0.00 0.00 37 S 8.40 4.31 0.00 3.96 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 38 G 9.16 3.98 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 0.00 0.00 0.00 39 K 7.43 4.64 0.00 1.95 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.59 7.81 40 R 8.54 4.20 0.00 1.90 1.99 0.00 3.17 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 41 S 8.78 4.61 0.00 4.32 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 42 V 8.50 3.85 2.49 0.00 0.00 0.00 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 1.04 0.00 0.00 43 Y 8.62 4.64 0.00 3.55 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 44 E 8.47 3.74 0.00 2.34 1.96 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 2.38 2.49 0.00 45 V 8.15 3.48 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 0.87 0.00 0.00 0.88 0.00 0.00 46 A 8.10 3.96 1.58 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 0.00 0.00 47 V 7.61 3.37 1.74 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 0.86 0.00 0.00 0.10 0.00 0.00 48 H 7.95 4.17 0.00 3.25 3.32 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.80 3.85 0.00 1.84 1.64 0.88 0.88 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 50 A 8.17 4.12 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 51 V 7.94 4.32 2.37 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 0.87 0.00 0.00 1.26 0.00 0.00 52 L 7.85 4.14 0.00 1.94 1.91 0.89 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.98 4.09 0.00 1.85 1.97 0.92 0.61 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 54 E 8.15 3.88 0.00 1.86 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 1.81 1.47 0.00 55 A 7.96 3.20 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 56 D 8.46 4.40 0.00 3.03 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 57 L 7.52 4.02 0.00 2.05 1.59 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.97 3.72 0.00 1.55 1.66 0.00 2.25 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 59 I 7.74 3.58 1.91 0.00 0.00 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 1.81 0.76 0.68 0.00 0.00 60 A 7.35 2.71 0.58 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 0.00 0.00 61 T 6.86 4.47 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 1.33 0.00 0.00 62 G 7.40 4.10 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 0.00 63 A 7.61 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 64 T 8.21 4.09 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 1.17 0.00 0.00 65 A 7.85 3.15 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 66 D 7.90 4.42 0.00 2.72 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 67 E 7.84 4.11 0.00 2.22 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 2.29 2.20 0.00 *69 A 8.09 4.45 1.44 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 0.00 0.00 70 Q 8.17 4.01 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 71 F 8.38 4.17 0.00 3.03 2.59 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 72 Y 7.86 4.32 0.00 3.12 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 73 A 7.83 4.15 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 74 V 7.21 3.69 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 0.71 0.00 0.00 0.91 0.00 0.00 75 P 0.00 4.27 0.00 2.21 2.04 0.00 3.73 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 1.96 1.93 0.00 76 V 8.09 4.16 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 0.82 0.00 0.00 0.85 0.00 0.00 77 L 8.69 4.23 0.00 1.80 1.59 0.87 0.72 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 78 P 0.00 3.78 0.00 1.64 0.49 0.00 3.28 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 0.00 79 E 7.92 4.10 0.00 2.06 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 2.23 2.24 0.00 80 Q 8.16 4.44 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 81 L 7.47 3.95 0.00 1.86 1.77 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.76 3.59 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 1.10 0.00 0.00 0.98 0.00 0.00 83 D 8.18 4.39 0.00 2.92 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 84 R 8.27 3.85 0.00 2.00 2.05 0.00 3.16 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 1.57 1.66 0.00 85 L 8.07 4.26 0.00 1.78 1.89 0.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.37 4.56 0.00 3.07 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 87 Q 8.15 4.04 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 88 S 8.31 4.26 0.00 4.20 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 W 8.87 4.67 0.00 3.36 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 90 Q 8.37 3.66 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 91 Y 8.15 3.87 0.00 3.24 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 92 Y 8.48 4.12 0.00 3.34 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 93 Q 7.90 3.80 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 94 D 7.71 4.34 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.46 3.96 0.00 1.58 1.43 0.00 2.90 0.00 0.00 2.72 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 0.00 96 L 7.49 3.87 0.00 1.41 1.76 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *98 A 7.39 3.95 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 99 D 8.80 4.33 0.00 2.93 2.66 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 0.00 100 F 8.45 4.87 0.00 3.14 2.95 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 0.00 0.00 0.00 101 S 8.57 4.68 0.00 3.64 3.68 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 0.00 102 T 8.18 4.91 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 1.38 0.00 0.00 103 E 8.80 4.86 0.00 2.02 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 2.23 2.13 0.00 104 T 8.52 4.22 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 1.15 0.00 0.00 105 T 8.73 3.92 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 0.93 0.00 0.00 106 Y 8.07 4.17 0.00 3.16 3.12 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 0.00 107 W 6.81 4.36 0.00 3.27 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 0.00 108 G 7.07 3.98 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 0.00 0.00 0.00 109 V 7.35 3.84 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 0.94 0.00 0.00 1.18 0.00 0.00 110 T 8.08 4.96 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 1.22 0.00 0.00 111 D 8.23 4.42 0.00 1.94 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 0.00 112 S 8.13 4.48 0.00 3.97 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 0.00 113 T 8.26 3.69 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 0.05 0.00 0.00 114 T 7.65 3.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 115 G 8.10 3.67 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 0.00 0.00 0.00 116 W 8.39 4.38 0.00 3.70 3.40 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 0.00 117 L 8.48 4.40 0.00 2.12 2.06 1.34 0.26 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 0.00 118 L 8.30 4.15 0.00 1.84 1.84 0.98 0.62 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 0.00 119 E 8.76 3.99 0.00 2.06 2.31 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 2.32 2.39 0.00 120 A 8.54 4.41 1.72 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 0.00 121 A 8.08 4.04 1.56 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 0.00 122 V 8.11 3.75 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 1.08 0.00 0.00 123 H 8.66 4.29 0.00 3.55 3.58 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.19 3.87 0.00 1.86 1.86 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.22 3.94 0.00 3.12 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 0.00 126 H 8.57 4.07 0.00 3.34 3.55 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.21 4.32 0.00 3.18 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.29 3.71 0.00 1.67 1.69 0.00 2.78 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 129 S 7.91 4.00 0.00 4.07 3.95 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 0.00 0.00 0.00 130 Q 7.67 3.76 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 1.51 2.12 0.00 131 L 7.72 3.54 0.00 1.60 1.63 0.80 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.05 3.83 0.00 1.78 1.79 0.88 1.37 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 0.00 133 D 8.44 4.38 0.00 2.91 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 0.00 134 Y 8.29 4.19 0.00 3.05 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 0.00 135 L 8.02 3.59 0.00 1.41 0.97 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.52 4.44 0.00 2.82 2.89 0.00 0.00 7.02 6.73 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 0.00 137 L 8.29 4.09 0.00 1.83 1.72 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.56 4.58 0.00 1.97 1.91 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.00 3.97 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 0.00 0.00 0.00 140 Y 8.26 3.96 0.00 2.96 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 0.00 141 D 8.25 4.36 0.00 2.76 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 0.00 142 I 8.51 3.95 1.88 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 1.33 0.74 0.92 0.00 0.00 143 K 8.45 4.62 0.00 1.71 1.78 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.33 7.81 144 L 7.79 4.32 0.00 1.56 1.53 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.61 4.43 0.00 2.69 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 0.00 146 L 8.45 4.18 0.00 1.69 1.41 0.95 0.74 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 0.00 147 F 8.15 4.43 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.