NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.0138 8.3144 121.7854 56.3811 32.1486 173.0049 2 V 4.6098 7.8250 122.0487 59.8017 31.7524 174.0320 3 F 4.8733 9.0938 133.9112 56.8792 42.4086 173.4886 4 E 4.3476 8.7548 119.3919 56.1923 30.5525 176.5241 5 R 4.2522 8.3340 116.9281 58.8899 30.2917 178.1192 6 C 4.6584 7.9806 115.1476 56.4947 39.2125 173.3009 7 E 3.9894 7.7340 120.7033 58.2493 29.9951 178.0795 8 L 4.0389 7.5290 119.3597 57.7816 42.1942 178.3827 9 A 4.2632 8.0515 120.4957 55.0089 18.3274 179.3475 10 R 4.1749 7.6901 118.9208 59.1561 30.0845 178.8211 11 T 3.9698 7.7144 115.2233 66.2966 68.5745 176.7711 12 L 3.8938 8.5661 121.3357 57.5637 41.4861 179.3227 13 K 4.0543 7.6199 119.3528 59.1137 32.2596 178.3772 14 R 3.9911 7.5754 116.8817 59.3819 29.9153 178.2235 15 L 4.1161 7.3013 117.9908 58.5430 41.7300 176.9874 16 G 3.4242 7.4963 106.1269 45.2678 0.0000 174.9620 17 M 3.7355 7.8100 120.9915 56.9892 32.7418 175.2590 18 D 4.5377 7.5733 120.0145 54.7863 39.4426 176.7207 19 G 3.8184 8.7977 112.1806 46.2895 0.0000 171.7864 20 Y 4.0328 8.1149 121.6914 57.0900 39.1347 175.5951 21 R 3.8326 9.2898 124.8024 56.9848 27.8476 177.3741 22 G 3.8934 8.3785 107.0273 45.3971 0.0000 174.5690 23 I 4.0136 7.4080 120.3106 60.2596 35.8606 176.3848 24 S 4.6100 8.2346 122.5042 57.5172 65.0951 174.8964 25 L 4.0694 8.4468 121.5005 58.2240 41.2220 179.7037 26 A 4.1319 8.1324 120.2667 55.0694 18.1052 179.2567 27 N 4.7408 8.3334 114.8614 56.3856 38.6240 177.1056 28 W 3.9746 8.0723 129.5056 60.1344 30.3219 177.9559 29 M 3.8801 8.4594 118.7006 58.6280 31.4498 177.3896 30 C 4.2350 8.6309 118.4516 58.6937 40.5258 174.3243 31 L 4.4147 7.4481 120.7975 56.5423 42.6343 178.0310 32 A 3.6525 8.1769 121.5703 55.0366 18.3054 179.8735 33 K 3.4647 7.2648 116.0536 59.1177 32.1390 179.0444 34 W 3.9197 7.7473 129.0143 59.9909 30.8458 177.4187 35 E 4.0719 8.8049 117.4162 58.3481 28.9133 178.0724 36 S 4.0234 7.9588 113.2630 60.4294 67.0286 175.0354 37 G 4.2607 7.7582 105.5421 47.0340 0.0000 172.3599 38 Y 3.6541 6.9456 108.2900 59.0990 36.3914 170.6593 39 N 4.7923 7.7148 118.5394 51.7005 39.4142 174.3649 40 T 3.9807 8.3935 121.3674 64.3142 67.7817 175.4240 41 R 4.4107 7.8656 115.8044 55.9171 29.6086 177.3463 42 A 4.1762 7.6007 123.4987 52.1969 16.2407 176.4002 43 T 4.8310 7.9314 110.1665 58.9901 71.2820 173.5865 44 N 5.1291 9.0841 120.8300 51.4499 41.2627 173.3768 45 Y 4.4471 8.7274 117.3733 57.9292 39.6154 174.5455 46 N 5.0722 8.5719 118.4162 51.6127 40.3848 176.0167 47 A 4.1622 9.0965 127.0323 53.8448 19.1628 178.0362 48 G 3.8890 8.1608 103.6993 47.0073 0.0000 174.5676 49 D 4.6359 7.9836 117.6913 53.1395 41.8107 177.2894 50 R 4.0135 8.1014 116.6595 57.1232 28.4323 175.9139 51 S 4.8102 7.3969 113.8973 57.4365 66.2894 172.8394 52 T 4.8535 8.1103 115.6858 62.0280 71.7554 173.2472 53 D 5.3547 8.1680 124.6054 52.3897 42.2091 175.0839 54 Y 4.5980 9.9807 118.5421 55.9402 40.2271 174.6255 55 G 4.9521 8.0110 110.0370 43.7889 0.0000 174.0013 56 I 4.0518 8.0782 120.3553 62.6889 38.1581 175.9778 57 F 4.5720 7.2786 119.6471 57.2465 39.9587 174.7285 58 Q 3.7519 7.7937 114.3116 55.4348 27.0900 173.9508 59 I 4.0693 7.2800 119.0944 61.1596 38.5341 176.1506 60 N 5.1270 9.0187 123.2248 52.7699 39.6928 175.4448 61 S 5.2124 8.0525 113.4588 58.0900 63.6121 175.0056 62 R 4.2271 8.0532 123.7463 58.6989 31.0764 176.7606 63 Y 4.1324 7.8770 115.0013 56.7132 40.3883 175.5637 64 W 5.2298 8.3207 117.2983 57.6451 33.2085 175.6871 65 C 5.2026 8.2899 117.0841 54.7536 47.1971 172.6958 66 N 4.7450 8.1434 120.9687 52.7030 38.5117 173.8698 67 D 4.4557 8.9367 127.3342 56.6367 41.9871 176.1035 68 G 3.5568 7.5688 106.6907 45.0535 0.0000 174.0977 69 K 4.4409 7.7743 118.2202 56.7377 34.6275 176.4751 70 T 4.0330 7.8728 109.5104 60.4609 68.9230 172.3106 71 P 4.2965 0.0000 0.0000 63.5192 32.0079 176.2281 72 G 3.6747 8.8650 109.3538 46.3832 0.0000 173.6273 73 A 4.8691 8.1919 122.6198 51.3913 17.2550 178.8152 74 V 3.4990 7.9696 121.7159 63.2598 32.3514 176.9522 75 N 4.5072 8.1318 111.7537 52.7376 35.3672 174.0885 76 A 4.0121 8.0445 128.7844 56.1633 17.8873 180.0191 77 C 4.3963 8.4570 115.0073 57.8396 43.9798 173.3230 78 H 4.1837 8.0995 117.4798 56.9299 28.0002 173.4778 79 L 4.8756 7.2068 117.3073 52.0497 45.0187 175.8179 80 S 4.4638 8.2337 116.3564 58.2735 63.8042 175.8209 81 C 4.5647 8.5312 118.1413 58.7634 34.2229 175.9096 82 S 3.8062 7.9347 115.0024 60.7906 61.6323 175.5743 83 A 4.0167 7.6286 122.6883 55.1277 18.2492 179.1398 84 L 4.3165 7.5860 115.1939 56.2703 41.6718 178.6584 85 L 4.3644 7.6770 119.4913 55.9519 42.2198 176.2379 86 Q 4.6758 7.0413 116.4945 54.0114 30.6343 176.1892 87 D 4.1018 8.5979 119.7401 57.0540 41.4310 176.7312 88 N 4.6576 7.3754 117.6836 53.3306 37.1816 174.5996 89 I 4.1565 7.7902 124.3639 60.3142 37.8539 178.4919 90 A 3.9701 7.6895 125.8370 56.2229 19.2817 179.9918 91 D 4.4088 7.9110 114.1887 56.1538 41.2248 178.9599 92 A 3.9871 7.9146 121.6228 55.2547 18.5564 179.8900 93 V 3.4920 7.5114 117.0585 64.7771 31.0190 178.3665 94 A 3.8180 7.0952 120.8544 55.0209 17.9146 178.7082 95 C 4.4129 8.1472 115.0108 60.1440 35.2947 176.1726 96 A 3.7475 7.9798 121.9542 54.5441 17.8713 179.7806 97 K 3.6239 7.6235 117.6407 59.6079 31.9685 179.2065 98 R 3.9842 7.5916 117.9788 59.4879 29.6199 178.7092 99 V 2.9361 6.8756 117.1646 65.1478 31.9078 177.4865 100 V 4.4357 7.3556 111.1349 61.0173 31.5848 178.0462 101 R 4.1146 7.5208 118.7741 58.5975 30.1774 176.3494 102 D 4.7481 8.0567 118.4585 53.2645 41.6027 174.7143 103 P 4.3736 0.0000 0.0000 65.1982 31.7202 177.8474 104 Q 4.1226 7.6787 118.9826 59.0868 29.8579 176.1760 105 G 4.3005 8.1134 105.0917 46.1616 0.0000 174.4476 106 I 4.1484 7.9817 124.5390 61.1048 37.0881 175.8809 107 R 4.4413 7.6258 114.9985 56.6986 29.5382 178.0949 108 A 4.2280 8.1827 123.3606 54.6825 18.7765 178.4854 109 W 4.5516 7.8160 112.8956 55.3140 30.7891 177.8365 110 V 3.6995 8.3654 120.4057 65.8183 30.9761 178.2729 111 A 3.6750 8.2732 120.2592 54.3912 17.9587 179.0476 112 W 4.3901 8.0788 127.4252 61.0582 30.5458 178.4198 113 R 3.6133 7.6344 116.7040 58.7309 29.6036 177.9656 114 N 4.3880 7.7344 115.0498 56.1496 39.1567 175.7516 115 R 3.9146 7.9229 120.3941 56.8280 30.2681 174.2695 116 C 4.6405 6.9282 112.1765 53.6515 43.9061 173.9980 117 Q 2.5200 7.6706 120.5512 57.2249 27.8979 172.4912 118 N 4.2108 6.2512 108.3871 54.5466 37.6657 172.3405 119 R 4.5192 7.0580 117.4983 55.5056 32.4518 177.7788 120 D 4.6086 8.5105 116.2346 55.3389 39.3338 176.7797 121 V 4.5906 7.9582 114.7986 60.5201 32.3562 178.1584 122 R 4.1260 7.9035 118.7965 58.8504 29.6472 178.8840 123 Q 3.9032 7.9277 118.0650 58.9834 28.8787 177.9795 124 Y 4.2790 7.3877 114.3699 60.2807 37.9852 177.2068 125 V 4.3849 7.4695 111.2682 61.1255 32.0236 176.5026 126 Q 4.1704 7.7176 121.1187 55.6191 27.0309 175.8997 127 G 3.8209 8.2799 115.3412 46.8115 0.0000 173.6660 128 C 4.4682 8.4860 119.5453 57.9041 44.4672 175.0071 129 G 3.9560 7.5409 109.1995 44.8390 0.0000 173.7137 *130 V 3.9015 7.5847 119.2613 60.9057 32.3439 177.4075 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 K 8.31 4.01 0.00 1.68 2.02 0.00 1.29 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.44 7.81 2 V 7.83 4.61 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 0.84 0.00 0.00 1.06 0.00 0.00 3 F 9.09 4.87 0.00 3.03 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 4 E 8.75 4.35 0.00 2.21 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 2.36 2.49 0.00 5 R 8.33 4.25 0.00 1.88 2.12 0.00 3.38 0.00 0.00 3.95 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 6 C 7.98 4.66 0.00 2.92 3.01 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 7 E 7.73 3.99 0.00 1.99 1.67 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 1.47 1.76 0.00 8 L 7.53 4.04 0.00 1.91 1.78 1.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.05 4.26 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 10 R 7.69 4.17 0.00 1.79 1.99 0.00 3.10 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 11 T 7.71 3.97 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 12 L 8.57 3.89 0.00 1.85 1.72 0.60 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.62 4.05 0.00 1.99 1.93 0.00 1.84 0.00 0.00 1.48 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 14 R 7.58 3.99 0.00 2.00 2.05 0.00 3.30 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.30 4.12 0.00 1.72 1.55 0.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.50 3.42 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 0.00 17 M 7.81 3.74 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 18 D 7.57 4.54 0.00 2.97 2.82 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 0.00 0.00 0.00 19 G 8.80 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.11 4.03 0.00 3.15 2.76 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 21 R 9.29 3.83 0.00 1.98 1.94 0.00 3.42 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.48 0.00 22 G 8.38 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 0.00 0.00 0.00 23 I 7.41 4.01 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.80 0.00 0.00 24 S 8.23 4.61 0.00 3.96 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 25 L 8.45 4.07 0.00 1.80 1.81 0.94 0.78 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 26 A 8.13 4.13 1.59 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 0.00 0.00 27 N 8.33 4.74 0.00 3.11 2.83 0.00 0.00 6.99 7.97 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 28 W 8.07 3.97 0.00 3.20 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 29 M 8.46 3.88 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.62 0.00 30 C 8.63 4.23 0.00 3.18 3.61 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 31 L 7.45 4.41 0.00 1.76 1.66 1.14 1.15 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 32 A 8.18 3.65 0.61 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 0.00 0.00 33 K 7.26 3.46 0.00 0.84 0.99 0.00 1.22 0.00 0.00 1.47 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.37 7.81 34 W 7.75 3.92 0.00 3.37 3.37 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 35 E 8.80 4.07 0.00 1.80 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 2.08 2.20 0.00 36 S 7.96 4.02 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 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 0.00 0.00 0.00 0.00 38 Y 6.95 3.65 0.00 3.25 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 39 N 7.71 4.79 0.00 2.85 2.62 0.00 0.00 6.64 7.17 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 40 T 8.39 3.98 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 1.33 0.00 0.00 41 R 7.87 4.41 0.00 1.97 2.03 0.00 3.07 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 A 7.60 4.18 1.23 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 0.00 0.00 43 T 7.93 4.83 3.38 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 0.31 0.00 0.00 44 N 9.08 5.13 0.00 2.79 2.84 0.00 0.00 6.74 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 45 Y 8.73 4.45 0.00 2.91 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 46 N 8.57 5.07 0.00 2.87 2.76 0.00 0.00 7.42 8.35 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 47 A 9.10 4.16 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 48 G 8.16 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 0.00 0.00 0.00 49 D 7.98 4.64 0.00 2.74 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 50 R 8.10 4.01 0.00 2.01 2.09 0.00 3.20 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 51 S 7.40 4.81 0.00 3.88 3.82 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 0.00 0.00 0.00 52 T 8.11 4.85 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 1.02 0.00 0.00 53 D 8.17 5.35 0.00 2.83 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 54 Y 9.98 4.60 0.00 2.85 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 55 G 8.01 4.95 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 0.00 0.00 0.00 56 I 8.08 4.05 1.95 0.00 0.00 1.00 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 0.94 0.93 0.00 0.00 57 F 7.28 4.57 0.00 2.40 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 58 Q 7.79 3.75 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 59 I 7.28 4.07 2.25 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 1.07 0.00 0.00 60 N 9.02 5.13 0.00 3.07 2.88 0.00 0.00 7.22 7.92 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 61 S 8.05 5.21 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 62 R 8.05 4.23 0.00 1.98 2.03 0.00 3.15 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 63 Y 7.88 4.13 0.00 2.68 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 0.00 0.00 0.00 0.00 64 W 8.32 5.23 0.00 3.67 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 65 C 8.29 5.20 0.00 3.16 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 66 N 8.14 4.75 0.00 2.96 2.69 0.00 0.00 7.01 8.33 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 67 D 8.94 4.46 0.00 2.83 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 68 G 7.57 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.77 4.44 0.00 1.71 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.30 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 70 T 7.87 4.03 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 1.26 0.00 0.00 71 P 0.00 4.30 0.00 2.21 2.11 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 72 G 8.87 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 73 A 8.19 4.87 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 74 V 7.97 3.50 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 -0.67 0.00 0.00 0.57 0.00 0.00 75 N 8.13 4.51 0.00 2.96 3.09 0.00 0.00 6.62 7.74 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 76 A 8.04 4.01 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 77 C 8.46 4.40 0.00 3.11 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 78 H 8.10 4.18 0.00 3.32 3.39 0.00 5.94 0.00 0.00 0.00 0.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.21 4.88 0.00 1.98 1.46 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.23 4.46 0.00 4.00 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 81 C 8.53 4.56 0.00 2.86 2.96 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 82 S 7.93 3.81 0.00 3.81 3.82 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 0.00 0.00 0.00 83 A 7.63 4.02 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 84 L 7.59 4.32 0.00 1.98 1.94 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.68 4.36 0.00 1.81 1.91 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.04 4.68 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 87 D 8.60 4.10 0.00 2.64 2.74 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 0.00 0.00 0.00 0.00 88 N 7.38 4.66 0.00 2.55 2.77 0.00 0.00 7.22 7.83 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 89 I 7.79 4.16 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 1.08 0.00 0.00 90 A 7.69 3.97 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 91 D 7.91 4.41 0.00 2.70 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 92 A 7.91 3.99 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 93 V 7.51 3.49 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 0.72 0.00 0.00 0.31 0.00 0.00 94 A 7.10 3.82 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 95 C 8.15 4.41 0.00 3.22 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 96 A 7.98 3.75 1.53 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 97 K 7.62 3.62 0.00 1.80 1.72 0.00 1.20 0.00 0.00 0.77 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.28 7.81 98 R 7.59 3.98 0.00 2.04 2.08 0.00 3.26 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 99 V 6.88 2.94 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 1.00 0.00 0.00 -0.60 0.00 0.00 100 V 7.36 4.44 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 1.24 0.00 0.00 0.89 0.00 0.00 101 R 7.52 4.11 0.00 2.01 2.06 0.00 3.40 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 102 D 8.06 4.75 0.00 2.84 2.76 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 0.00 103 P 0.00 4.37 0.00 2.21 2.21 0.00 3.84 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 2.03 2.02 0.00 104 Q 7.68 4.12 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.44 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 105 G 8.11 4.30 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 0.00 106 I 7.98 4.15 1.53 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 -0.61 0.00 0.00 107 R 7.63 4.44 0.00 2.31 2.25 0.00 3.15 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 108 A 8.18 4.23 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.82 4.55 0.00 3.50 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 V 8.37 3.70 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 1.15 0.00 0.00 0.93 0.00 0.00 111 A 8.27 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.08 4.39 0.00 3.42 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 0.00 113 R 7.63 3.61 0.00 1.88 1.89 0.00 3.32 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 114 N 7.73 4.39 0.00 2.56 2.54 0.00 0.00 6.85 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.92 3.91 0.00 1.63 1.56 0.00 3.14 0.00 0.00 3.08 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 116 C 6.93 4.64 0.00 2.85 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 0.00 117 Q 7.67 2.52 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 118 N 6.25 4.21 0.00 3.25 2.86 0.00 0.00 7.32 7.77 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 0.00 119 R 7.06 4.52 0.00 1.97 1.85 0.00 3.36 0.00 0.00 3.12 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 120 D 8.51 4.61 0.00 2.62 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 0.00 121 V 7.96 4.59 2.46 0.00 0.00 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 1.17 0.00 0.00 122 R 7.90 4.13 0.00 2.00 2.23 0.00 2.95 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 1.80 1.63 0.00 123 Q 7.93 3.90 0.00 1.58 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 124 Y 7.39 4.28 0.00 3.24 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 0.00 125 V 7.47 4.38 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 0.81 0.00 0.00 1.09 0.00 0.00 126 Q 7.72 4.17 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 127 G 8.28 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.49 4.47 0.00 3.07 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 0.00 129 G 7.54 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 0.00 0.00 0.00 *130 V 7.58 3.90 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 0.70 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.