NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2407 8.3049 120.3493 50.9252 34.4090 177.7175 2 N 3.4587 8.3999 116.6039 54.4343 39.2167 175.2633 3 R 3.4904 7.4799 117.0683 56.6665 26.8708 177.2625 4 G 3.8813 7.9898 103.9200 47.3846 0.0000 172.6559 5 A 4.2123 7.8203 122.4019 55.0352 19.0501 178.9139 6 L 3.8430 7.8971 118.8184 58.6676 41.3964 179.2589 7 I 3.8774 7.7041 118.9103 63.6091 37.0944 177.4019 8 K 4.2959 8.4886 117.4489 57.3733 32.3355 178.6002 9 L 4.2754 7.5141 119.8822 57.3691 42.0635 178.7224 10 V 3.6679 7.6893 116.4333 65.6191 31.3336 177.5949 11 E 4.3041 7.5330 116.3604 58.9441 30.8559 178.8121 12 S 4.3285 7.5375 116.1319 58.1789 60.3532 174.0742 13 R 4.1905 8.1533 123.7676 57.9662 30.8910 178.0927 14 Y 4.4740 8.2257 114.3280 58.1379 37.4089 175.6524 15 V 3.9263 7.5487 114.3597 60.8397 32.2195 177.0129 16 R 4.3764 8.4429 123.7963 56.4118 31.0335 175.4918 17 T 4.6858 7.9970 109.7972 63.1776 73.1985 174.6053 18 D 4.4734 8.5527 120.4860 56.7629 39.6109 176.2672 19 L 3.7307 7.5337 118.3990 52.4039 42.3542 175.2437 20 P 4.4129 0.0000 0.0000 61.8108 31.5773 176.0741 21 E 4.1081 8.7853 124.9431 56.6935 30.0475 175.8871 22 F 4.7708 7.9949 117.7280 56.1632 40.1798 173.5214 23 R 4.4409 8.1248 121.7386 53.7565 32.5089 176.1305 24 P 5.2259 0.0000 0.0000 61.6275 29.9122 178.2592 25 G 3.5326 9.2469 108.2568 45.2546 0.0000 173.8355 26 D 4.5562 7.3291 117.2755 53.6089 45.2951 175.2930 27 T 4.9034 7.1901 120.7891 60.8161 71.5146 172.1394 28 V 4.9330 6.9567 118.0508 63.1420 34.2764 172.2419 29 R 4.3575 8.8509 125.0002 56.3896 33.0935 173.0476 30 V 3.6000 7.2085 117.3954 54.5392 33.2912 176.4593 31 S 3.9874 8.3342 117.0501 56.8745 65.2198 174.5060 32 Y 5.0740 7.8181 117.7662 56.5801 38.7031 173.0615 33 K 3.9810 7.9658 118.5969 57.7839 32.5690 176.6135 34 V 4.9845 8.3256 121.9714 61.2767 33.3038 177.9554 35 K 4.4394 8.3296 125.1015 56.1704 31.8567 179.9343 36 E 3.6186 9.0526 122.3542 56.2519 28.0122 176.9797 37 G 4.0849 7.2906 117.9447 45.0065 0.0000 172.9892 38 N 4.5579 7.4121 128.2187 53.6843 42.1505 173.8575 39 R 4.5971 7.8726 115.7804 55.5407 30.5477 177.7516 40 T 3.9186 8.6287 120.5313 62.7753 68.7515 171.8225 41 R 4.5368 8.6163 128.3182 55.8228 30.7804 173.5641 42 I 3.7718 7.0322 112.9062 61.4748 38.9864 176.5485 43 Q 4.4997 9.3739 124.3190 54.7744 32.4982 174.2936 44 D 4.9704 8.7500 126.0293 54.1378 42.8021 175.9695 45 F 4.5629 8.4102 121.9628 56.7834 41.8336 172.7875 46 E 4.3743 8.4644 127.4022 54.5653 30.1292 176.1203 47 G 4.1893 7.4524 115.4474 46.0546 0.0000 171.7013 48 I 4.3185 7.6406 122.2246 60.8079 38.9347 176.2859 49 V 4.4199 8.3635 126.1413 61.1426 31.6041 176.3553 50 I 3.8191 8.8773 128.7895 63.8609 39.0424 175.5674 51 R 4.7292 7.5328 115.1115 55.5609 32.2809 174.0222 52 I 5.1267 8.2567 120.5009 59.8450 41.1890 174.5989 53 R 4.5598 8.9997 124.5506 54.7511 31.1216 175.6102 54 R 4.6405 8.3293 122.9444 53.5338 31.8024 176.2955 55 N 4.5684 8.6312 116.1984 53.7520 41.2271 175.6890 56 G 3.7769 7.9886 115.2076 46.2826 0.0000 176.0935 57 F 4.4326 9.0029 130.5338 59.1404 39.2809 173.6242 58 N 3.7523 6.7507 115.4806 53.2707 36.3885 173.9178 59 T 4.1793 8.1759 116.1882 62.8656 68.7909 173.0200 60 T 4.9438 8.6026 116.3412 60.0349 73.0275 172.1494 61 F 5.5212 8.2642 114.8603 55.8031 41.9666 173.4555 62 T 5.1502 9.2035 116.3725 61.8456 71.9690 173.1941 63 V 5.0796 8.8741 124.9854 61.1453 34.8923 174.0640 64 R 5.2333 9.2274 127.8837 54.5637 32.6111 174.1852 65 K 4.7301 9.3168 126.4886 54.8979 36.7223 175.2583 66 V 4.2852 8.2486 123.2293 61.2527 31.5007 175.0418 67 S 4.2203 8.3578 123.3813 57.1401 63.1414 174.2177 68 Y 3.4221 7.8281 128.4163 58.4840 35.6939 171.4105 69 G 3.8427 9.2657 111.9568 49.7861 0.0000 173.8732 70 V 3.9239 7.7706 119.8220 61.9735 32.4627 174.2536 71 G 4.4876 8.3318 110.2774 44.5493 0.0000 172.9790 72 V 4.8295 9.6059 122.8868 60.9547 35.6117 173.9955 73 E 5.9800 8.7117 122.9164 53.7603 33.3215 175.2202 74 R 4.3221 8.5022 120.9224 54.1730 34.1465 174.2022 75 I 4.4791 7.6888 122.8636 59.3727 39.7661 174.8139 76 F 4.9722 8.0670 125.8497 54.8525 40.8901 175.0982 77 P 4.0692 0.0000 0.0000 63.7508 31.3577 177.6471 78 L 4.2582 8.8127 117.7732 55.4558 40.6230 172.9891 79 H 4.8576 7.6076 111.9776 56.1812 32.3661 171.1203 80 S 4.1460 8.4061 117.8018 57.9002 61.8052 168.2954 81 P 4.6422 0.0000 0.0000 62.1777 31.4010 175.8837 82 L 4.6173 7.6867 119.7635 52.8894 40.8712 176.1724 83 I 3.7139 7.1418 116.9599 62.9893 37.7194 178.0906 84 Q 4.3534 7.8483 121.0879 55.0587 30.1490 176.2446 85 K 4.2884 7.7901 116.5000 55.5113 32.5003 174.9749 86 I 4.0628 7.7362 117.5196 60.4290 39.2723 173.8293 87 D 4.9430 8.2602 126.4524 52.7101 41.8268 174.9849 88 I 3.7185 7.9991 121.7120 62.7157 37.0706 179.6744 89 V 3.9858 8.7481 120.1692 60.3733 30.8715 176.1728 90 Q 4.5078 7.8265 125.4529 56.3293 28.6048 175.2610 91 R 4.5398 7.7805 119.1157 55.4068 31.1261 176.4351 92 G 4.1459 9.8389 120.9009 47.1692 0.0000 173.8869 93 R 3.7600 7.7958 115.5514 56.5271 27.2424 176.0525 94 A 4.3815 7.5572 119.3281 51.7869 19.8844 178.4128 95 R 4.2297 8.6281 121.8125 58.4805 31.3336 177.8343 96 R 4.5087 7.7444 120.7385 56.0517 30.6755 175.8080 97 A 4.6094 8.5565 118.3298 53.0751 23.7400 176.0840 98 K 4.3538 8.0173 114.0784 54.9134 33.6261 175.1062 99 L 4.5968 8.4206 125.6725 54.9104 41.9493 179.0533 100 Y 4.2508 8.0319 119.9736 61.2566 38.2850 179.0088 101 F 4.3844 8.7360 115.4767 59.9695 37.7602 177.1142 102 I 3.7978 6.7724 113.1331 63.3952 36.7690 178.1135 103 R 3.9727 7.8568 119.3028 58.8448 29.8558 177.6210 104 N 4.7167 8.4294 115.2677 54.8067 39.3704 177.2738 105 L 4.4555 8.3968 120.8514 57.2578 43.2182 178.7609 106 S 3.7143 7.4873 107.9885 57.6856 62.3940 172.6689 107 D 4.6615 6.8055 135.0000 54.2325 41.7728 180.2440 108 R 3.9150 8.2793 115.2113 59.2321 29.8916 177.3464 109 E 3.9227 8.0573 118.2654 59.7736 29.4303 179.5960 110 I 3.7203 7.4432 119.3808 64.5918 37.0040 178.2196 111 R 3.9133 7.8477 117.5503 59.5075 30.1445 179.0826 112 R 4.0989 7.9436 113.1729 58.0984 29.5294 177.5332 113 K 4.4359 7.6330 118.3922 56.6067 34.4806 176.8116 114 L 5.4936 7.8397 118.6102 52.0320 41.8600 178.1298 115 R 4.4001 7.5224 122.5306 55.4896 29.9382 179.0298 116 A 4.6188 8.3955 129.5723 50.8659 21.7706 177.3125 117 D 4.6583 8.4292 123.9886 52.5025 38.1994 176.2681 118 R 3.8699 7.9822 123.9757 59.1862 30.5945 177.6175 119 K 3.8740 8.1029 118.3288 60.1233 31.9388 178.5434 120 R 3.9803 7.8792 116.0597 59.1046 30.2080 179.0923 121 I 4.0207 7.9835 119.8955 64.5850 37.1523 177.7954 122 D 4.4528 8.6477 120.3279 57.7922 40.4912 179.2327 123 Q 4.0406 7.7736 115.8874 58.7407 28.8514 177.8145 124 D 4.4858 8.1943 121.1814 57.2545 41.0860 178.5098 125 R 4.1377 7.8702 117.8633 58.9812 30.0406 178.7323 126 A 4.3946 7.9936 117.5236 52.6479 17.6362 177.3114 127 A 4.7665 8.1294 119.1476 52.9753 19.8826 178.2375 128 E 3.8228 8.6522 117.8397 59.7307 30.3488 178.4933 129 R 3.3950 6.9155 116.0165 57.6587 27.4369 175.2746 130 A 4.6170 8.7160 127.2978 50.6406 20.0077 177.3612 131 A 3.9356 8.1513 124.1076 53.7747 18.2851 178.3178 132 K 3.8647 8.6806 121.6211 60.3402 32.4586 177.0021 133 E 3.6875 7.7910 115.5257 56.9479 29.6204 177.0303 134 E 4.3065 8.5551 124.6162 54.7873 29.6289 174.7365 135 A 3.6505 8.4616 131.3429 52.9843 15.9604 177.5853 136 Q 4.3673 8.0530 120.3249 55.5314 31.3097 173.5927 137 K 4.3951 8.2269 124.5790 55.0152 35.7274 175.4283 *138 A 4.1219 8.3957 122.7713 52.3837 18.7921 176.5294 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 8.30 4.24 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.40 3.46 0.00 2.92 2.78 0.00 0.00 6.98 6.78 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 3 R 7.48 3.49 0.00 1.93 2.11 0.00 3.16 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 4 G 7.99 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 5 A 7.82 4.21 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 6 L 7.90 3.84 0.00 1.77 1.85 0.93 0.96 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 7 I 7.70 3.88 2.02 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 1.64 1.14 0.92 0.00 0.00 8 K 8.49 4.30 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.65 7.81 9 L 7.51 4.28 0.00 1.93 1.70 0.94 0.87 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 10 V 7.69 3.67 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 0.84 0.00 0.00 0.98 0.00 0.00 11 E 7.53 4.30 0.00 2.16 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 0.00 2.51 2.51 0.00 12 S 7.54 4.33 0.00 3.72 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 13 R 8.15 4.19 0.00 1.67 1.86 0.00 3.32 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.56 0.00 14 Y 8.23 4.47 0.00 2.56 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 15 V 7.55 3.93 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 0.59 0.00 0.00 0.89 0.00 0.00 16 R 8.44 4.38 0.00 1.63 1.86 0.00 3.67 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 17 T 8.00 4.69 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 1.21 0.00 0.00 18 D 8.55 4.47 0.00 2.83 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 19 L 7.53 3.73 0.00 1.76 1.75 1.01 1.06 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 20 P 0.00 4.41 0.00 2.01 2.00 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 21 E 8.79 4.11 0.00 1.96 1.91 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 2.29 2.30 0.00 22 F 7.99 4.77 0.00 3.09 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 R 8.12 4.44 0.00 1.87 1.86 0.00 3.11 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 24 P 0.00 5.23 0.00 2.04 2.15 0.00 3.70 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 25 G 9.25 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 0.00 0.00 0.00 26 D 7.33 4.56 0.00 2.73 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 27 T 7.19 4.90 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 0.73 0.00 0.00 28 V 6.96 4.93 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 0.64 0.00 0.00 0.96 0.00 0.00 29 R 8.85 4.36 0.00 1.91 1.59 0.00 3.26 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 30 V 7.21 3.60 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 0.77 0.00 0.00 0.94 0.00 0.00 31 S 8.33 3.99 0.00 3.11 3.28 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 32 Y 7.82 5.07 0.00 3.06 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 33 K 7.97 3.98 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.55 7.81 34 V 8.33 4.98 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 1.03 0.00 0.00 1.07 0.00 0.00 35 K 8.33 4.44 0.00 1.92 0.98 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 36 E 9.05 3.62 0.00 1.99 1.92 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 2.29 2.38 0.00 37 G 7.29 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.41 4.56 0.00 2.79 2.62 0.00 0.00 6.13 7.66 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 39 R 7.87 4.60 0.00 1.83 1.19 0.00 3.34 0.00 0.00 3.41 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 40 T 8.63 3.92 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 1.25 0.00 0.00 41 R 8.62 4.54 0.00 1.91 2.07 0.00 3.44 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.29 0.00 42 I 7.03 3.77 1.83 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 1.22 0.56 0.92 0.00 0.00 43 Q 9.37 4.50 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 44 D 8.75 4.97 0.00 2.59 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 45 F 8.41 4.56 0.00 3.33 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 46 E 8.46 4.37 0.00 1.82 1.62 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 2.16 2.25 0.00 47 G 7.45 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 0.00 0.00 0.00 0.00 48 I 7.64 4.32 1.83 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 1.23 0.43 0.94 0.00 0.00 49 V 8.36 4.42 2.20 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 0.80 0.00 0.00 1.10 0.00 0.00 50 I 8.88 3.82 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.05 0.82 0.00 0.00 51 R 7.53 4.73 0.00 1.77 1.57 0.00 3.04 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.55 0.00 52 I 8.26 5.13 1.84 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 1.03 0.00 0.00 53 R 9.00 4.56 0.00 1.89 2.09 0.00 2.77 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 R 8.33 4.64 0.00 1.72 1.90 0.00 3.29 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 55 N 8.63 4.57 0.00 2.60 2.66 0.00 0.00 7.10 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 56 G 7.99 3.78 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 0.00 0.00 0.00 57 F 9.00 4.43 0.00 2.94 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 58 N 6.75 3.75 0.00 2.56 2.16 0.00 0.00 5.86 7.71 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 59 T 8.18 4.18 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 1.44 0.00 0.00 60 T 8.60 4.94 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 1.20 0.00 0.00 61 F 8.26 5.52 0.00 3.35 3.24 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 62 T 9.20 5.15 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 1.25 0.00 0.00 63 V 8.87 5.08 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 1.39 0.00 0.00 1.43 0.00 0.00 64 R 9.23 5.23 0.00 1.87 1.71 0.00 3.28 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 65 K 9.32 4.73 0.00 1.71 1.21 0.00 1.40 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.06 1.21 7.81 66 V 8.25 4.29 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 0.90 0.00 0.00 0.89 0.00 0.00 67 S 8.36 4.22 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 3.42 0.00 3.24 2.84 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 69 G 9.27 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 70 V 7.77 3.92 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 1.00 0.00 0.00 0.98 0.00 0.00 71 G 8.33 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 0.00 0.00 0.00 0.00 72 V 9.61 4.83 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 1.18 0.00 0.00 1.00 0.00 0.00 73 E 8.71 5.98 0.00 1.85 1.78 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 2.24 2.19 0.00 74 R 8.50 4.32 0.00 0.77 0.66 0.00 2.63 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 75 I 7.69 4.48 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.41 0.76 0.00 0.00 76 F 8.07 4.97 0.00 1.75 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 77 P 0.00 4.07 0.00 2.14 1.99 0.00 3.69 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 2.03 1.98 0.00 78 L 8.81 4.26 0.00 2.01 2.18 1.50 1.18 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 79 H 7.61 4.86 0.00 3.12 3.38 0.00 5.97 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.41 4.15 0.00 4.13 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 81 P 0.00 4.64 0.00 0.98 1.84 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.93 0.00 82 L 7.69 4.62 0.00 1.66 1.66 1.00 0.94 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 83 I 7.14 3.71 1.88 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 1.30 0.52 0.95 0.00 0.00 84 Q 7.85 4.35 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.53 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 85 K 7.79 4.29 0.00 1.65 1.67 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.38 7.81 86 I 7.74 4.06 1.83 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 1.35 1.14 0.86 0.00 0.00 87 D 8.26 4.94 0.00 2.71 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 88 I 8.00 3.72 1.82 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 1.17 1.04 0.87 0.00 0.00 89 V 8.75 3.99 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 0.65 0.00 0.00 0.92 0.00 0.00 90 Q 7.83 4.51 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 91 R 7.78 4.54 0.00 1.78 1.35 0.00 3.35 0.00 0.00 3.22 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 92 G 9.84 4.15 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 0.00 0.00 0.00 93 R 7.80 3.76 0.00 1.94 1.97 0.00 3.38 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 94 A 7.56 4.38 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 95 R 8.63 4.23 0.00 1.83 2.00 0.00 3.38 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 1.65 1.59 0.00 96 R 7.74 4.51 0.00 1.96 1.90 0.00 2.90 0.00 0.00 3.29 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 97 A 8.56 4.61 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 98 K 8.02 4.35 0.00 1.86 2.02 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.42 7.81 99 L 8.42 4.60 0.00 1.65 1.16 0.96 0.82 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 0.00 100 Y 8.03 4.25 0.00 3.15 3.08 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 0.00 0.00 0.00 0.00 101 F 8.74 4.38 0.00 3.28 3.32 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 0.00 102 I 6.77 3.80 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.26 0.00 0.00 103 R 7.86 3.97 0.00 1.90 2.08 0.00 3.37 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 104 N 8.43 4.72 0.00 2.83 2.91 0.00 0.00 7.03 7.73 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 0.00 105 L 8.40 4.46 0.00 1.65 2.01 1.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.49 3.71 0.00 4.07 4.13 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 0.00 107 D 6.81 4.66 0.00 2.90 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 0.00 0.00 0.00 0.00 108 R 8.28 3.91 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 109 E 8.06 3.92 0.00 2.15 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 0.00 2.37 2.56 0.00 110 I 7.44 3.72 1.91 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 1.72 0.76 0.87 0.00 0.00 111 R 7.85 3.91 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 112 R 7.94 4.10 0.00 1.98 2.07 0.00 3.03 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 113 K 7.63 4.44 0.00 2.11 2.07 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.77 7.81 114 L 7.84 5.49 0.00 1.63 1.60 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.52 4.40 0.00 1.81 1.38 0.00 3.52 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 116 A 8.40 4.62 1.19 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 0.00 117 D 8.43 4.66 0.00 2.81 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 0.00 118 R 7.98 3.87 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 119 K 8.10 3.87 0.00 1.82 2.05 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.58 7.81 120 R 7.88 3.98 0.00 2.02 1.99 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.07 0.00 121 I 7.98 4.02 1.87 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 1.69 0.91 0.91 0.00 0.00 122 D 8.65 4.45 0.00 2.86 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 0.00 123 Q 7.77 4.04 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 124 D 8.19 4.49 0.00 2.74 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 0.00 125 R 7.87 4.14 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 126 A 7.99 4.39 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 0.00 127 A 8.13 4.77 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 0.00 128 E 8.65 3.82 0.00 2.07 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 0.00 2.27 2.66 0.00 129 R 6.92 3.40 0.00 1.85 2.30 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 130 A 8.72 4.62 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 0.00 131 A 8.15 3.94 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 0.00 132 K 8.68 3.86 0.00 1.73 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.57 7.81 133 E 7.79 3.69 0.00 1.93 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 0.00 2.40 2.64 0.00 134 E 8.56 4.31 0.00 1.87 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 2.18 2.32 0.00 135 A 8.46 3.65 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 0.00 136 Q 8.05 4.37 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 137 K 8.23 4.40 0.00 1.69 1.62 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.43 7.81 *138 A 8.40 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.