NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5003 8.1633 120.6164 54.9565 33.5778 174.0240 2 K 4.4467 8.5147 126.1379 56.1844 33.0183 171.8386 3 V 4.6642 9.1080 117.2446 60.5010 37.1937 173.1036 4 I 5.1606 8.5821 125.0037 60.7079 38.7306 175.6072 5 L 5.0562 7.8298 124.6977 52.3447 44.8047 175.0367 6 L 4.2180 8.5924 125.9073 55.0607 47.7448 177.6351 7 E 3.7790 9.0151 135.0000 55.9403 28.0545 174.3809 8 P 4.6973 0.0000 0.0000 62.7794 31.4744 175.7123 9 L 4.7868 8.2025 122.0660 52.1703 44.6583 175.6259 10 E 4.0969 8.3466 121.5947 57.5324 30.2687 176.9768 11 N 4.7319 10.0956 124.2332 54.0552 39.7943 174.6900 12 L 4.4949 7.6592 116.6320 54.9560 41.4097 174.6671 13 G 4.3486 8.0662 111.5008 44.0903 0.0000 170.1709 14 D 5.0192 7.9380 119.9115 54.3648 38.3657 175.6741 15 V 3.3021 7.9156 117.0263 58.5524 34.5546 176.3637 16 G 3.8759 7.9820 108.6510 47.0862 0.0000 171.3314 17 Q 4.9103 7.3010 121.7445 54.1707 33.4589 174.0053 18 V 4.9675 8.2621 117.8897 61.4546 34.1654 176.0096 19 V 4.6998 8.5492 126.6630 60.1107 34.9794 174.0438 20 D 5.5372 8.5316 122.0482 52.5480 41.1791 175.3984 21 V 4.4928 7.9280 111.8911 60.5629 36.5241 173.1762 22 K 4.2486 8.8231 121.3506 55.9528 32.6976 177.0770 23 P 4.1686 0.0000 0.0000 65.7484 31.6097 178.0993 24 G 3.7944 8.1414 104.6628 48.0016 0.0000 174.4408 25 Y 4.5545 8.1928 121.5290 60.7519 38.8033 178.3612 26 A 4.0267 8.1251 121.0690 54.6599 18.5659 179.1013 27 R 4.1542 8.8661 118.0721 58.6470 30.2470 177.0605 28 N 4.8939 8.5260 113.9074 53.6792 40.8239 173.9705 29 Y 4.7670 7.5937 115.3553 59.0258 40.8095 176.9886 30 L 3.5891 8.3846 119.1845 57.9421 41.7638 179.3790 31 L 3.8751 8.1166 119.6065 57.8768 42.1868 177.2054 32 P 4.4268 0.0000 0.0000 65.3781 31.5923 178.0695 33 R 4.0584 8.1686 115.3067 59.1130 30.6838 177.4905 34 G 3.8368 7.4777 102.3294 47.0345 0.0000 174.5837 35 L 4.6911 7.3849 116.7058 53.6532 44.3310 177.5868 36 A 4.3812 7.4894 119.5351 52.3966 21.9343 175.5032 37 V 4.4350 8.5171 117.3137 61.3934 35.5286 173.5233 38 L 4.3275 8.7068 124.1208 55.0522 42.2607 178.3993 39 A 3.9595 9.3387 124.6621 55.1417 18.6382 178.1240 40 T 3.7389 7.6025 105.9600 59.9787 66.7080 173.6753 41 E 3.9263 9.0846 128.2288 60.4830 29.2983 178.2808 42 S 4.1037 8.3333 112.0207 61.4217 62.0158 174.9728 43 N 4.3392 8.0674 120.0147 55.2522 38.6863 177.0354 44 L 4.0337 8.1409 122.9584 57.6790 42.4530 178.4707 45 K 3.8801 9.2373 119.7939 59.4341 31.9864 178.4146 46 A 3.9812 7.9567 120.0027 55.1684 18.0864 179.0326 47 L 3.9844 7.7545 118.4099 58.5754 42.2432 178.7198 48 E 3.8830 8.3369 119.1968 59.3947 29.7974 178.5879 49 A 4.2940 8.0877 118.7348 53.1453 18.4774 178.2610 50 R 4.1834 8.9576 116.9599 57.0124 30.0720 176.7066 51 I 4.2523 7.3999 118.0584 63.8695 38.2899 178.0175 52 R 3.9717 7.8990 115.1778 58.6009 29.5748 177.3251 53 A 4.8160 7.7511 120.7495 51.9565 18.8947 177.1836 54 Q 4.3173 7.7684 118.4720 57.8871 33.2365 176.7084 55 A 4.0168 9.4437 120.7104 54.8199 18.1514 178.8922 56 K 4.3551 7.2564 112.9416 57.4044 33.2368 177.9265 57 R 4.1083 7.6434 119.9974 58.5365 30.5355 176.8173 58 L 4.3875 8.2404 119.4769 55.8941 42.5593 177.4733 59 A 4.5445 7.7544 121.8101 52.3794 18.0620 177.6703 60 E 4.5486 8.9169 121.7491 57.8491 31.7062 176.9796 61 R 4.3357 7.9181 114.9178 56.4576 30.3488 176.4830 62 K 4.4811 7.8224 117.4476 56.5773 34.5427 176.9100 63 A 4.1333 7.9269 121.4464 54.2521 18.9941 177.3976 64 E 4.4225 7.9675 116.8231 55.8911 29.6556 176.1933 65 A 4.5366 7.4990 119.5738 51.3269 21.6261 178.3680 66 E 4.1589 7.8678 113.8314 58.6100 29.3872 178.8647 67 R 4.0615 7.8701 116.7703 57.7298 30.9230 177.3317 68 L 4.3398 7.5594 118.2543 55.4152 42.3973 177.9024 69 K 4.0514 7.6851 119.5354 59.5667 32.1290 178.5604 70 E 4.4610 7.5287 114.5546 56.7277 28.4678 177.0645 71 I 4.5827 8.2777 112.7537 62.6141 40.6644 177.2145 72 L 4.1674 7.9279 120.7553 55.5620 40.9522 178.2961 73 E 4.1734 7.0737 119.7547 58.0804 29.7729 177.9289 74 N 4.0651 7.6826 118.5360 54.6510 39.1666 174.0905 75 L 3.8816 7.9727 133.4685 55.2552 42.7126 177.6926 76 T 4.6609 8.0566 123.0582 61.0510 69.7817 173.9193 77 L 4.4033 8.1675 116.6749 56.3080 43.9712 175.9395 78 T 3.4071 7.7609 116.4636 64.0361 65.1209 170.0701 79 I 4.2597 8.6484 125.6137 59.5264 38.4664 175.2748 80 P 4.4325 0.0000 0.0000 63.9736 30.7506 177.2893 81 V 3.3690 6.8231 119.5461 62.2853 29.3713 175.1075 82 R 4.2609 8.3016 127.5682 56.3563 28.1054 175.9193 83 A 5.1576 8.0930 126.8192 52.8171 21.2595 176.7828 84 G 4.9036 8.8789 103.7171 46.6465 0.0000 174.2781 85 E 3.9323 8.7346 131.1908 57.0205 27.1542 179.4017 86 T 4.1433 8.8700 122.9455 63.3947 67.7158 173.2497 87 K 3.6610 8.6046 128.0013 57.5418 31.5509 177.0505 88 I 3.1942 7.0291 127.1465 61.7295 37.2296 174.9814 89 Y 4.4725 7.8155 116.9265 58.9939 39.0358 177.7009 90 G 3.9920 7.8168 114.6476 43.6341 0.0000 172.0998 91 S 3.9373 7.4890 118.8664 56.3471 65.5176 176.5524 92 V 3.9884 7.9870 124.3394 60.6661 29.9887 175.9261 93 T 4.0420 8.7180 117.3996 61.8058 69.9753 176.7079 94 A 4.2138 8.4299 125.5952 54.3473 18.5220 179.3580 95 K 4.2301 7.9664 114.0664 57.9189 32.4970 177.0916 96 D 5.0305 8.4985 117.9162 54.4820 43.4249 178.3013 97 I 3.6272 7.8263 118.1485 64.5334 37.4278 178.0682 98 A 4.0993 8.2632 121.7573 54.7818 16.8507 179.0551 99 E 3.9079 8.1755 116.9184 57.9106 29.5064 177.3168 100 A 4.6855 7.7421 121.2778 51.7389 19.7924 176.4835 101 L 4.4918 7.5656 119.7999 58.3580 45.2757 178.1955 102 S 4.8821 8.7748 112.7855 61.1589 63.0949 175.2798 103 R 4.3779 7.1013 116.8739 54.2873 29.0075 174.8273 104 Q 4.6561 7.4640 123.2001 57.1720 36.0029 174.0088 105 H 4.8226 8.6963 111.3320 54.5809 29.8758 173.9047 106 G 3.9354 8.0906 107.2634 47.0357 0.0000 174.0791 107 V 4.4751 7.3171 116.7832 60.3257 34.7108 174.4418 108 T 4.2131 8.5648 122.4964 63.7304 68.7265 173.7747 109 I 4.8956 8.2425 118.7184 58.2768 40.5382 175.1451 110 D 4.9340 8.3426 120.6471 51.3602 41.3165 172.9161 111 P 4.4522 0.0000 0.0000 61.4294 31.0654 175.5546 112 K 4.1527 9.4981 126.7077 58.4374 40.3500 178.4404 113 R 4.7503 8.7957 119.2479 56.6493 29.0843 178.0975 114 L 4.1041 7.8830 116.0776 54.1801 44.0234 177.9613 115 A 3.8185 7.6572 119.9525 51.5912 17.0551 177.2773 116 L 4.1924 7.5388 119.7914 55.1700 42.5789 176.0042 117 E 4.3955 8.7201 123.9764 57.6660 31.1865 176.3405 118 K 4.5906 7.4027 116.6206 53.7345 36.2411 174.8934 119 P 4.1205 0.0000 0.0000 63.4631 31.0700 176.8136 120 I 3.1506 7.7387 119.4942 58.3002 36.4312 172.8781 121 K 3.6980 8.7092 123.3734 56.9323 30.2698 175.5624 122 E 4.7886 7.3892 114.1132 55.4671 32.4542 174.6681 123 L 4.3682 8.2777 127.4226 54.4746 42.4228 176.9497 124 G 3.9198 7.5815 113.5378 46.2131 0.0000 171.5700 125 E 4.3898 7.3472 120.3690 54.5971 33.3817 174.2747 126 Y 5.1138 7.9996 119.4124 56.9408 42.6945 175.3119 127 V 4.7706 7.9168 118.8065 61.9817 32.0646 173.1426 128 L 4.4917 7.6142 124.4302 54.3311 44.1127 176.2151 129 T 5.0725 8.1539 113.5002 60.4571 70.8116 172.3183 130 Y 4.4954 8.6733 126.9487 56.8417 39.6096 174.9541 131 K 4.6412 8.6670 126.4745 53.9483 33.4357 176.5805 132 P 4.7915 0.0000 0.0000 63.5753 31.2932 176.3547 133 H 4.2788 8.0920 117.6360 54.3673 32.4547 174.3766 134 P 4.2474 0.0000 0.0000 63.1574 31.6551 174.8935 135 E 5.0005 8.8865 120.9418 53.3927 33.6508 175.3564 136 V 4.3324 8.3853 123.6225 59.6687 32.9221 173.3018 137 P 5.3488 0.0000 0.0000 61.0449 31.1124 175.4193 138 I 4.2168 8.1142 126.9811 61.1346 37.9285 175.4494 139 Q 4.3720 8.8125 128.8666 55.4092 30.0569 173.7432 140 L 4.7881 8.5710 129.0553 53.3806 44.4942 175.1845 141 K 5.5141 8.5778 124.2642 54.0155 35.3044 175.0289 142 V 4.6886 7.8518 122.8299 61.4864 33.9481 174.5545 143 S 4.8776 8.6480 120.2190 56.8192 65.8842 172.6086 144 V 4.4269 7.8398 118.1678 62.3055 34.4218 176.5098 145 V 3.2060 8.4667 127.2113 61.9372 31.5581 171.6080 *146 A 4.1219 8.3243 122.5068 52.3878 18.7144 176.4667 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 M 8.16 4.50 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 K 8.51 4.45 0.00 1.76 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 V 9.11 4.66 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 0.83 0.00 0.00 1.01 0.00 0.00 4 I 8.58 5.16 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.89 0.00 0.00 5 L 7.83 5.06 0.00 1.46 1.55 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.59 4.22 0.00 1.53 0.59 0.93 0.81 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 7 E 9.02 3.78 0.00 1.89 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 2.30 2.40 0.00 8 P 0.00 4.70 0.00 2.17 2.20 0.00 3.31 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 9 L 8.20 4.79 0.00 1.89 1.61 0.85 0.89 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 10 E 8.35 4.10 0.00 2.00 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 2.40 2.26 0.00 11 N 10.10 4.73 0.00 2.95 3.04 0.00 0.00 6.95 7.41 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 12 L 7.66 4.49 0.00 1.76 1.64 0.92 0.53 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 13 G 8.07 4.35 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 0.00 14 D 7.94 5.02 0.00 3.09 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 15 V 7.92 3.30 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 0.75 0.00 0.00 0.92 0.00 0.00 16 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.30 4.91 0.00 2.63 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 18 V 8.26 4.97 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 0.89 0.00 0.00 0.92 0.00 0.00 19 V 8.55 4.70 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 0.73 0.00 0.00 0.94 0.00 0.00 20 D 8.53 5.54 0.00 2.78 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 21 V 7.93 4.49 2.22 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 0.67 0.00 0.00 1.02 0.00 0.00 22 K 8.82 4.25 0.00 1.88 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.50 7.81 23 P 0.00 4.17 0.00 2.20 2.13 0.00 3.64 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 2.14 2.16 0.00 24 G 8.14 3.79 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 0.00 0.00 0.00 25 Y 8.19 4.55 0.00 3.03 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 26 A 8.13 4.03 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 27 R 8.87 4.15 0.00 1.87 2.13 0.00 3.23 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 28 N 8.53 4.89 0.00 2.90 2.88 0.00 0.00 6.73 8.21 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 29 Y 7.59 4.77 0.00 3.10 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 30 L 8.38 3.59 0.00 1.61 1.51 0.47 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.12 3.88 0.00 1.62 1.73 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.43 0.00 2.13 2.11 0.00 3.84 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 2.26 2.20 0.00 33 R 8.17 4.06 0.00 1.50 1.76 0.00 2.54 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 34 G 7.48 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 0.00 0.00 0.00 0.00 35 L 7.38 4.69 0.00 1.39 1.49 0.66 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 36 A 7.49 4.38 1.16 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 37 V 8.52 4.44 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 0.94 0.00 0.00 0.90 0.00 0.00 38 L 8.71 4.33 0.00 1.68 1.59 0.91 0.82 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 39 A 9.34 3.96 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 40 T 7.60 3.74 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 1.21 0.00 0.00 41 E 9.08 3.93 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 2.41 2.40 0.00 42 S 8.33 4.10 0.00 3.88 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 43 N 8.07 4.34 0.00 2.75 2.85 0.00 0.00 6.84 6.62 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 44 L 8.14 4.03 0.00 1.97 1.79 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.24 3.88 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.96 3.98 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 47 L 7.75 3.98 0.00 1.79 1.90 0.91 0.79 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 48 E 8.34 3.88 0.00 2.13 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 0.00 2.31 2.52 0.00 49 A 8.09 4.29 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 50 R 8.96 4.18 0.00 2.01 2.04 0.00 3.22 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 7.40 4.25 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 0.90 0.00 0.00 52 R 7.90 3.97 0.00 1.98 2.19 0.00 2.96 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.62 0.00 53 A 7.75 4.82 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 54 Q 7.77 4.32 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 55 A 9.44 4.02 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 56 K 7.26 4.36 0.00 1.97 1.92 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.42 7.81 57 R 7.64 4.11 0.00 1.86 2.10 0.00 3.21 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 58 L 8.24 4.39 0.00 1.71 1.72 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.75 4.54 1.40 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 0.00 0.00 60 E 8.92 4.55 0.00 1.95 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 0.00 2.18 2.27 0.00 61 R 7.92 4.34 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 62 K 7.82 4.48 0.00 1.70 1.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 A 7.93 4.13 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 64 E 7.97 4.42 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 65 A 7.50 4.54 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 66 E 7.87 4.16 0.00 2.19 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 0.00 2.29 2.47 0.00 67 R 7.87 4.06 0.00 2.04 1.96 0.00 3.29 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 68 L 7.56 4.34 0.00 1.62 1.51 0.64 0.04 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 69 K 7.69 4.05 0.00 2.05 1.72 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 70 E 7.53 4.46 0.00 1.96 1.95 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 2.67 2.39 0.00 71 I 8.28 4.58 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 1.00 0.00 0.00 72 L 7.93 4.17 0.00 2.04 1.88 1.01 0.77 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 73 E 7.07 4.17 0.00 2.17 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 2.33 2.34 0.00 74 N 7.68 4.07 0.00 2.75 2.70 0.00 0.00 6.78 7.85 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 75 L 7.97 3.88 0.00 1.62 1.91 1.02 1.04 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 76 T 8.06 4.66 4.49 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 0.00 0.00 0.00 1.32 0.00 0.00 77 L 8.17 4.40 0.00 1.63 1.68 0.90 0.88 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 78 T 7.76 3.41 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 1.22 0.00 0.00 79 I 8.65 4.26 1.90 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 1.56 1.15 0.92 0.00 0.00 80 P 0.00 4.43 0.00 2.05 2.08 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 81 V 6.82 3.37 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 0.79 0.00 0.00 0.97 0.00 0.00 82 R 8.30 4.26 0.00 1.83 1.91 0.00 3.22 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 83 A 8.09 5.16 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 84 G 8.88 4.90 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 85 E 8.73 3.93 0.00 2.18 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 2.19 2.27 0.00 86 T 8.87 4.14 4.18 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 1.18 0.00 0.00 87 K 8.60 3.66 0.00 1.62 1.69 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 88 I 7.03 3.19 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 1.19 0.74 0.89 0.00 0.00 89 Y 7.82 4.47 0.00 2.99 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 90 G 7.82 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 0.00 0.00 0.00 91 S 7.49 3.94 0.00 4.03 3.83 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 92 V 7.99 3.99 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 0.65 0.00 0.00 0.89 0.00 0.00 93 T 8.72 4.04 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 1.19 0.00 0.00 94 A 8.43 4.21 1.26 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 0.00 0.00 0.00 95 K 7.97 4.23 0.00 1.75 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 D 8.50 5.03 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.63 1.80 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 1.52 0.60 0.84 0.00 0.00 98 A 8.26 4.10 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 E 8.18 3.91 0.00 2.16 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 0.00 2.37 2.37 0.00 100 A 7.74 4.69 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 0.00 101 L 7.57 4.49 0.00 1.75 1.71 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.77 4.88 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 0.00 103 R 7.10 4.38 0.00 2.06 1.90 0.00 3.25 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 104 Q 7.46 4.66 0.00 1.90 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 105 H 8.70 4.82 0.00 3.19 3.27 0.00 5.87 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 0.00 106 G 8.09 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 0.00 107 V 7.32 4.48 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 1.17 0.00 0.00 1.03 0.00 0.00 108 T 8.56 4.21 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 1.24 0.00 0.00 109 I 8.24 4.90 1.89 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 1.43 1.54 0.98 0.00 0.00 110 D 8.34 4.93 0.00 2.87 2.85 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 0.00 0.00 0.00 111 P 0.00 4.45 0.00 2.20 2.11 0.00 3.97 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 112 K 9.50 4.15 0.00 1.96 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.27 7.81 113 R 8.80 4.75 0.00 1.98 2.20 0.00 3.29 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 114 L 7.88 4.10 0.00 1.45 1.40 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.66 3.82 1.42 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 0.00 0.00 116 L 7.54 4.19 0.00 1.51 1.53 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.72 4.40 0.00 2.08 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 2.15 2.26 0.00 118 K 7.40 4.59 0.00 1.74 1.63 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.40 7.81 119 P 0.00 4.12 0.00 2.17 2.26 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 120 I 7.74 3.15 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.15 0.85 0.00 0.00 121 K 8.71 3.70 0.00 1.86 1.88 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.37 7.81 122 E 7.39 4.79 0.00 1.90 1.79 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 2.02 2.08 0.00 123 L 8.28 4.37 0.00 1.68 1.54 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.58 3.92 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 0.00 0.00 0.00 125 E 7.35 4.39 0.00 1.72 1.61 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 2.12 2.13 0.00 126 Y 8.00 5.11 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.92 4.77 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 0.81 0.00 0.00 0.95 0.00 0.00 128 L 7.61 4.49 0.00 1.65 1.56 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.15 5.07 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 1.26 0.00 0.00 130 Y 8.67 4.50 0.00 3.37 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 0.00 131 K 8.67 4.64 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.30 7.81 132 P 0.00 4.79 0.00 2.15 1.64 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 133 H 8.09 4.28 0.00 3.33 3.17 0.00 5.57 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.25 0.00 2.00 2.04 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 135 E 8.89 5.00 0.00 1.89 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 0.00 2.51 2.45 0.00 136 V 8.39 4.33 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 0.79 0.00 0.00 1.01 0.00 0.00 137 P 0.00 5.35 0.00 2.12 2.17 0.00 3.60 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.85 0.00 138 I 8.11 4.22 1.85 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 1.48 1.62 0.92 0.00 0.00 139 Q 8.81 4.37 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 140 L 8.57 4.79 0.00 1.86 1.58 0.95 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.58 5.51 0.00 1.73 1.66 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.76 1.24 7.81 142 V 7.85 4.69 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 0.80 0.00 0.00 1.18 0.00 0.00 143 S 8.65 4.88 0.00 3.87 3.83 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 0.00 144 V 7.84 4.43 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 0.94 0.00 0.00 0.97 0.00 0.00 145 V 8.47 3.21 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 0.80 0.00 0.00 0.95 0.00 0.00 *146 A 8.32 4.12 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.