NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6816 8.3649 120.2670 53.2612 41.0176 173.8838 6 F 4.6503 8.2947 126.8889 56.4380 39.8974 173.2154 7 E 3.9427 9.3165 126.1952 60.1838 31.0499 175.8402 8 E 3.6605 8.0161 115.5648 56.6790 27.3643 174.3085 9 K 4.4189 7.9992 121.4665 54.9845 34.0642 175.5511 10 M 3.8486 8.5330 128.4897 56.0560 32.4713 174.7687 11 I 3.9427 8.9327 129.3720 62.3485 36.7083 176.0601 12 L 4.9784 8.2693 122.2160 54.4300 44.8437 176.3851 13 I 5.3337 8.2570 120.1779 60.0500 40.7375 174.9129 14 R 4.6155 8.9117 118.6860 55.3103 33.1009 173.8515 15 R 4.3362 8.3897 122.2498 55.1471 31.0233 175.4824 16 T 4.5648 8.2338 119.0406 61.5012 72.2446 172.6267 17 A 4.8910 7.4450 122.5390 53.1996 22.4624 175.7539 18 R 4.5555 7.4285 114.2323 56.5542 31.2328 174.3874 19 M 4.4518 8.3773 123.2513 55.6152 33.3162 174.3077 20 Q 4.9294 8.8793 127.7421 56.0168 30.9386 172.2796 21 A 3.7460 8.0714 129.0840 56.1531 17.8048 175.8883 22 G 4.1485 8.6364 113.5411 46.2711 0.0000 173.0883 23 G 4.1582 8.2505 107.9054 44.5218 0.0000 170.4672 24 R 4.9151 8.5464 115.9477 54.2770 32.3143 175.1552 25 R 4.5238 8.7468 121.6071 54.5324 33.3609 174.2969 26 F 5.3404 8.7066 120.9810 54.8722 42.2460 174.8794 27 R 4.9797 8.6402 120.5026 54.8613 33.3379 174.9084 28 F 5.4182 9.4671 119.3139 55.8544 42.5997 174.9165 29 G 4.6809 9.6079 107.8038 44.7328 0.0000 171.6229 30 A 5.4438 9.3663 123.0853 50.3124 23.0131 175.1376 31 L 4.9381 9.0040 123.0747 53.6595 43.8010 176.1424 32 V 4.7417 8.6742 122.2561 61.3201 35.6515 173.7805 33 V 4.8654 8.1628 125.5941 61.1779 34.5216 174.4042 34 V 4.8087 8.2724 125.4919 61.3417 35.6183 174.5399 35 G 4.5960 8.3463 109.9865 45.0701 0.0000 174.1660 36 D 4.7049 8.9152 125.3898 54.9574 39.7490 177.4911 37 R 4.4381 8.1583 116.0138 57.7797 26.8562 176.1703 38 Q 4.4665 9.1189 114.9527 55.7169 29.2219 176.0522 39 G 4.2542 7.8655 108.2835 45.3014 0.0000 173.4398 40 R 5.0292 8.0565 117.4871 54.2199 34.2045 174.7523 41 V 5.4025 7.7878 115.5311 59.6649 36.9786 174.1119 42 G 4.3942 8.3840 108.9963 44.0512 0.0000 170.8442 43 L 5.2688 8.5634 126.4458 53.1050 44.3239 175.6563 44 G 4.3236 9.0895 112.4457 44.4953 0.0000 170.7387 45 F 5.8832 8.9115 125.2760 56.1897 41.5392 174.6478 46 G 4.2406 9.8383 113.5844 44.3415 0.0000 171.7906 47 K 5.6724 8.9682 123.7377 53.6664 34.7291 175.2304 48 A 4.8840 8.4304 125.8695 48.8411 23.2688 174.6314 49 P 4.7040 0.0000 0.0000 63.0841 31.0700 175.6226 50 E 3.9206 7.3918 117.1737 54.3352 31.7355 175.5748 51 V 3.5468 6.9939 121.6951 65.2474 31.3586 176.0967 52 P 4.1215 0.0000 0.0000 65.9203 31.3551 178.0628 53 L 3.9013 7.9131 116.3410 58.1743 41.6180 179.2617 54 A 4.0520 8.1260 120.2393 55.4946 18.3535 179.7680 55 V 3.5807 8.1324 116.6879 66.2409 31.4569 177.5435 56 Q 3.9737 8.3114 119.3603 59.6248 28.3298 178.6186 57 K 4.0705 8.9365 119.2436 60.4384 32.0074 177.9018 58 A 4.3071 8.6619 120.6102 55.5976 18.0042 179.4526 59 G 3.7676 8.5447 101.9752 47.4592 0.0000 174.5465 60 Y 4.3576 7.6912 120.9812 61.3114 39.0348 177.9606 61 Y 3.8777 7.8588 116.0244 60.6499 37.9403 177.6272 62 A 3.9903 7.8858 121.6999 55.6065 18.3511 179.6626 63 R 4.1991 8.7241 114.6915 57.7789 30.1800 178.0153 64 R 4.6087 7.1138 117.7963 54.5441 30.3629 174.8913 65 N 4.3229 8.0760 112.7344 53.6460 42.3475 173.0198 66 M 5.1559 8.4991 125.5143 54.0632 36.9912 174.7622 67 V 4.4292 8.7122 118.7043 60.2070 34.9649 174.6134 68 E 4.3980 8.8865 123.2270 56.3867 29.1112 176.3197 69 V 3.8453 9.0077 128.0180 61.5201 31.4440 174.4837 70 P 4.6082 0.0000 0.0000 62.0497 29.4078 178.7127 71 L 5.0530 7.7631 126.5301 56.8454 41.8890 177.4130 72 Q 5.5942 9.0166 129.9281 57.9182 29.5211 172.3713 73 N 4.4396 8.2579 118.2332 53.2852 35.8393 174.7354 74 G 3.8702 8.7570 104.4537 46.5421 0.0000 173.7250 75 T 4.6773 7.3724 113.9596 60.9946 69.8371 171.5100 76 I 4.6784 8.0033 119.9847 58.7247 39.7405 174.5525 77 P 4.3892 0.0000 0.0000 65.5068 31.1787 175.7115 78 H 4.9867 7.6936 111.4515 52.9634 31.8272 171.6264 79 E 4.7877 8.5266 118.8203 55.7198 30.4686 176.3628 80 I 4.7451 8.7887 116.1268 59.4568 41.4935 173.6209 81 E 5.2123 8.7362 122.2436 54.8148 32.8253 175.7301 82 V 4.3949 8.9024 122.3607 61.6051 35.3098 173.4997 83 E 4.8872 8.9882 127.8826 55.0784 30.6412 175.4934 84 F 4.7266 9.4005 128.8674 56.9342 41.6400 175.4523 85 G 3.4107 7.6764 119.2343 47.0415 0.0000 173.8411 86 A 4.3989 8.4718 128.4941 51.7975 19.4042 176.3946 87 S 5.0822 7.9028 113.8104 55.8368 65.3858 173.1239 88 K 5.0826 8.6146 125.7135 54.5730 34.7915 174.3123 89 I 4.9204 9.1228 128.0002 59.2300 40.4378 174.1318 90 V 4.7046 8.7070 128.9395 61.5333 34.0495 174.8474 91 L 4.7733 9.1693 126.3195 52.9813 44.8690 174.4432 92 K 4.8339 9.1906 126.2780 53.2688 34.5407 173.4620 93 P 4.6708 0.0000 0.0000 63.0464 31.8370 175.3642 94 A 4.8835 8.4017 124.0055 49.5727 21.3888 176.2219 95 A 4.0454 8.6834 123.6180 51.4268 19.1187 175.7683 96 P 4.8728 0.0000 0.0000 63.6828 32.1250 175.5862 97 G 3.7291 9.1244 110.4203 46.3939 0.0000 171.9158 98 T 4.3896 8.9735 116.9619 64.7029 72.7904 173.7941 99 G 4.2156 7.0916 106.1928 43.5301 0.0000 172.9977 100 V 4.4578 7.7918 122.6321 61.3114 30.6831 173.2051 101 I 4.1502 8.3723 117.5837 60.3218 38.8553 175.2770 102 A 4.6945 7.6887 127.2366 52.4273 22.3050 175.0082 103 G 3.8702 8.3962 107.7199 44.3812 0.0000 174.9847 104 A 3.6203 7.7163 119.9471 54.7522 18.7001 179.6251 105 V 3.4778 7.2909 112.8144 66.3979 31.1987 176.2836 106 P 4.1869 0.0000 0.0000 66.6631 31.5281 177.4998 107 R 3.7187 8.7671 116.9820 59.2333 29.5113 177.7815 108 A 4.0617 8.7239 119.5470 55.7305 18.9082 179.5333 109 I 3.5843 8.0042 117.3395 64.8027 37.3189 178.3738 110 L 4.1584 8.1860 119.2029 56.8885 41.4661 179.0457 111 E 4.0779 8.3234 119.1765 59.7359 29.3750 179.4703 112 L 3.9891 7.7796 118.3630 57.2599 40.3558 179.0835 113 A 4.0877 7.7081 120.2462 53.4617 17.9971 178.8531 114 G 3.5588 8.0522 105.5981 44.9749 0.0000 174.1449 115 V 3.9132 7.4525 119.0924 63.1375 31.7953 175.9449 116 T 4.6123 8.4518 117.5122 63.1915 72.2155 173.0743 117 D 5.0177 7.8100 120.1086 52.8502 44.1009 173.9499 118 I 4.5820 8.4276 122.3926 59.7633 42.3342 173.0738 119 L 4.8763 9.2153 130.1558 54.0990 43.5488 175.8304 120 T 5.1278 8.2213 110.7767 59.5391 72.8632 172.6201 121 K 4.8551 8.3573 123.2409 54.9145 35.8541 174.6138 122 E 4.5894 8.8804 126.9225 56.1535 30.6023 175.7097 123 L 4.8091 9.1964 124.6266 53.3337 46.0554 178.1039 124 G 3.7762 8.8836 110.1516 47.4259 0.0000 175.4143 125 S 4.3880 10.2841 120.9258 57.6242 62.6077 174.2058 126 R 4.1850 8.3051 128.2873 56.5359 30.6323 177.0489 127 N 4.5067 8.2120 117.3464 54.0731 39.6937 171.7727 128 P 3.7386 0.0000 0.0000 64.9700 31.5975 178.6890 129 I 3.4169 7.3197 118.8798 64.6994 37.7921 177.6047 130 N 4.7181 8.3938 116.8697 56.0222 38.5097 177.6210 131 I 3.7398 8.4308 121.5374 65.0307 37.0866 177.4129 132 A 3.9202 8.6576 121.6519 55.0399 17.9635 178.7778 133 Y 3.5864 8.9362 113.7048 60.7870 38.1217 179.4939 134 A 4.0487 8.3079 121.7346 55.4990 18.5990 179.4386 135 T 3.7877 7.8771 114.1456 67.8836 68.4987 175.7327 136 M 3.7241 7.6487 119.0733 59.1775 31.7068 178.3209 137 E 3.5636 7.8859 118.4955 60.0823 30.1120 179.2715 138 A 4.0560 8.0930 120.6130 55.0235 18.3416 179.2278 139 L 3.8456 8.5440 116.6086 58.0293 41.7896 180.0602 140 R 3.8540 8.3135 118.2644 58.4000 30.2206 176.3820 141 Q 4.6916 8.0984 117.2785 55.9320 29.5713 175.0483 142 L 4.8176 8.0165 117.8318 53.3254 43.3459 176.4803 143 R 4.7989 8.3771 120.4092 54.0858 34.2729 175.1377 144 T 4.6978 9.5006 109.9505 58.8427 73.0906 174.7751 145 K 3.8350 8.6563 123.3297 60.5755 32.2153 177.6301 146 A 3.9930 8.4378 119.2747 55.4446 17.7694 177.7824 147 D 4.4096 7.2862 119.6503 54.5481 40.2185 178.7006 148 V 3.8614 7.7305 120.9939 65.6356 31.7052 176.9686 149 E 4.2053 8.6050 116.2736 57.7194 29.4033 178.6882 150 R 3.8730 8.2955 121.2532 59.4858 30.2625 177.3974 151 L 4.2572 7.8579 115.7091 56.0744 42.1906 177.3309 152 R 4.7812 7.1016 118.7496 55.6093 31.3824 177.1880 153 K 4.7039 7.3553 130.4228 54.9990 31.1091 179.5729 154 G 3.2607 9.1135 113.1292 46.7560 0.0000 173.8374 *155 E 4.1319 8.0961 120.5553 56.4276 30.4399 176.2885 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 5 D 8.36 4.68 0.00 2.71 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 6 F 8.29 4.65 0.00 3.06 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 7 E 9.32 3.94 0.00 2.27 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 2.34 2.32 0.00 8 E 8.02 3.66 0.00 2.21 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 2.23 2.34 0.00 9 K 8.00 4.42 0.00 1.92 1.69 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.37 7.81 10 M 8.53 3.85 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 11 I 8.93 3.94 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.89 0.00 0.00 12 L 8.27 4.98 0.00 1.65 1.72 0.88 0.55 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 13 I 8.26 5.33 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 1.07 0.00 0.00 14 R 8.91 4.62 0.00 1.87 2.03 0.00 2.80 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 R 8.39 4.34 0.00 0.73 1.50 0.00 2.21 0.00 0.00 2.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.00 16 T 8.23 4.56 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 1.22 0.00 0.00 17 A 7.44 4.89 1.07 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 0.00 0.00 18 R 7.43 4.56 0.00 1.93 1.97 0.00 2.91 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 19 M 8.38 4.45 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 20 Q 8.88 4.93 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 21 A 8.07 3.75 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 22 G 8.64 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 23 G 8.25 4.16 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 0.00 24 R 8.55 4.92 0.00 1.52 1.72 0.00 3.05 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 25 R 8.75 4.52 0.00 1.74 1.69 0.00 3.03 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 26 F 8.71 5.34 0.00 2.89 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 27 R 8.64 4.98 0.00 1.80 1.90 0.00 3.08 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 28 F 9.47 5.42 0.00 2.89 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 29 G 9.61 4.68 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 0.00 0.00 0.00 30 A 9.37 5.44 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 31 L 9.00 4.94 0.00 1.54 1.51 0.77 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.67 4.74 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 1.04 0.00 0.00 1.00 0.00 0.00 33 V 8.16 4.87 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 0.83 0.00 0.00 0.89 0.00 0.00 34 V 8.27 4.81 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 1.06 0.00 0.00 1.02 0.00 0.00 35 G 8.35 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.92 4.70 0.00 2.97 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 37 R 8.16 4.44 0.00 2.02 2.22 0.00 3.23 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 38 Q 9.12 4.47 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 39 G 7.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.06 5.03 0.00 1.67 1.52 0.00 3.12 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 V 7.79 5.40 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.85 0.00 0.00 42 G 8.38 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 0.00 0.00 0.00 0.00 43 L 8.56 5.27 0.00 1.46 1.31 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.09 4.32 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 0.00 45 F 8.91 5.88 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.84 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 0.00 0.00 0.00 0.00 47 K 8.97 5.67 0.00 1.44 1.64 0.00 0.61 0.00 0.00 1.80 0.00 0.00 2.71 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.97 0.88 7.81 48 A 8.43 4.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.70 0.00 2.22 2.21 0.00 3.83 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 1.99 1.97 0.00 50 E 7.39 3.92 0.00 1.84 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 2.04 2.06 0.00 51 V 6.99 3.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.66 0.00 0.00 52 P 0.00 4.12 0.00 2.14 2.06 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 53 L 7.91 3.90 0.00 1.81 1.76 0.89 0.80 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 54 A 8.13 4.05 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 55 V 8.13 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 56 Q 8.31 3.97 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 K 8.94 4.07 0.00 2.19 2.25 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.72 7.81 58 A 8.66 4.31 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.54 3.77 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 0.00 0.00 0.00 60 Y 7.69 4.36 0.00 2.75 3.11 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 61 Y 7.86 3.88 0.00 3.17 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 62 A 7.89 3.99 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 63 R 8.72 4.20 0.00 1.94 2.11 0.00 3.29 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 64 R 7.11 4.61 0.00 1.46 1.76 0.00 2.92 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 65 N 8.08 4.32 0.00 2.75 2.75 0.00 0.00 6.95 7.68 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 66 M 8.50 5.16 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 67 V 8.71 4.43 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 0.77 0.00 0.00 0.89 0.00 0.00 68 E 8.89 4.40 0.00 1.97 2.03 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 2.25 2.29 0.00 69 V 9.01 3.85 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 0.75 0.00 0.00 0.95 0.00 0.00 70 P 0.00 4.61 0.00 2.22 2.08 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 71 L 7.76 5.05 0.00 1.65 1.73 0.95 1.12 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 72 Q 9.02 5.59 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.26 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 73 N 8.26 4.44 0.00 2.83 3.11 0.00 0.00 7.22 7.65 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 74 G 8.76 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 0.00 0.00 0.00 75 T 7.37 4.68 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 1.28 0.00 0.00 76 I 8.00 4.68 1.85 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 1.45 0.98 0.95 0.00 0.00 77 P 0.00 4.39 0.00 2.43 2.17 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 78 H 7.69 4.99 0.00 3.23 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.53 4.79 0.00 1.84 1.89 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 2.28 2.36 0.00 80 I 8.79 4.75 1.84 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 1.15 1.09 0.75 0.00 0.00 81 E 8.74 5.21 0.00 1.84 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 2.19 2.26 0.00 82 V 8.90 4.39 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 1.02 0.00 0.00 0.95 0.00 0.00 83 E 8.99 4.89 0.00 1.91 1.90 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 2.26 2.31 0.00 84 F 9.40 4.73 0.00 3.04 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 85 G 7.68 3.41 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 0.00 86 A 8.47 4.40 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.90 5.08 0.00 3.99 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 88 K 8.61 5.08 0.00 1.76 1.63 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.35 7.81 89 I 9.12 4.92 1.89 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 1.11 1.58 0.92 0.00 0.00 90 V 8.71 4.70 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 0.90 0.00 0.00 0.99 0.00 0.00 91 L 9.17 4.77 0.00 1.67 1.49 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.19 4.83 0.00 1.74 1.63 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 93 P 0.00 4.67 0.00 2.11 2.21 0.00 3.76 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 1.98 1.98 0.00 94 A 8.40 4.88 1.20 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 0.00 0.00 0.00 95 A 8.68 4.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.87 0.00 2.05 2.04 0.00 3.83 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 G 9.12 3.73 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 0.00 0.00 0.00 98 T 8.97 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 G 7.09 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 0.00 0.00 0.00 0.00 100 V 7.79 4.46 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 0.84 0.00 0.00 1.01 0.00 0.00 101 I 8.37 4.15 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 1.16 0.93 0.91 0.00 0.00 102 A 7.69 4.69 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 0.00 103 G 8.40 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 0.00 0.00 0.00 104 A 7.72 3.62 1.28 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 0.00 0.00 105 V 7.29 3.48 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 1.15 0.00 0.00 0.91 0.00 0.00 106 P 0.00 4.19 0.00 2.28 2.28 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 107 R 8.77 3.72 0.00 1.87 2.13 0.00 3.13 0.00 0.00 3.17 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 108 A 8.72 4.06 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 0.00 109 I 8.00 3.58 1.97 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 1.45 1.03 0.85 0.00 0.00 110 L 8.19 4.16 0.00 1.82 1.68 0.90 0.96 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 0.00 111 E 8.32 4.08 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 2.33 2.35 0.00 112 L 7.78 3.99 0.00 1.62 1.77 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.71 4.09 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 0.00 114 G 8.05 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 0.00 115 V 7.45 3.91 2.18 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 0.80 0.00 0.00 0.94 0.00 0.00 116 T 8.45 4.61 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 D 7.81 5.02 0.00 2.53 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 0.00 118 I 8.43 4.58 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.90 0.00 0.00 119 L 9.22 4.88 0.00 1.73 1.55 0.92 0.41 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 0.00 120 T 8.22 5.13 4.33 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 1.22 0.00 0.00 121 K 8.36 4.86 0.00 1.83 1.62 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 122 E 8.88 4.59 0.00 1.90 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 2.30 2.34 0.00 123 L 9.20 4.81 0.00 1.63 1.56 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.88 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 0.00 125 S 10.28 4.39 0.00 3.86 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 0.00 126 R 8.31 4.18 0.00 1.84 1.93 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 127 N 8.21 4.51 0.00 2.75 2.73 0.00 0.00 7.26 8.63 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 0.00 128 P 0.00 3.74 0.00 2.17 1.89 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 129 I 7.32 3.42 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.79 0.00 0.00 130 N 8.39 4.72 0.00 2.93 3.08 0.00 0.00 7.12 7.35 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 0.00 131 I 8.43 3.74 2.03 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 1.61 1.16 0.96 0.00 0.00 132 A 8.66 3.92 1.28 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 0.00 0.00 133 Y 8.94 3.59 0.00 2.74 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 0.00 0.00 0.00 0.00 134 A 8.31 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.88 3.79 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 1.17 0.00 0.00 136 M 7.65 3.72 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.69 0.00 137 E 7.89 3.56 0.00 2.07 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 0.00 2.31 2.54 0.00 138 A 8.09 4.06 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 0.00 139 L 8.54 3.85 0.00 1.73 1.70 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.31 3.85 0.00 1.76 2.15 0.00 3.18 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 141 Q 8.10 4.69 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.41 0.00 0.00 0.00 0.00 0.00 2.29 2.65 0.00 142 L 8.02 4.82 0.00 1.68 1.62 0.90 0.89 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 0.00 143 R 8.38 4.80 0.00 1.61 1.85 0.00 3.30 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 144 T 9.50 4.70 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 0.00 145 K 8.66 3.83 0.00 1.83 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.55 7.81 146 A 8.44 3.99 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 0.00 147 D 7.29 4.41 0.00 2.95 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 0.00 148 V 7.73 3.86 2.18 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 1.03 0.00 0.00 0.91 0.00 0.00 149 E 8.60 4.21 0.00 2.22 2.17 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 2.72 2.30 0.00 150 R 8.30 3.87 0.00 1.85 2.07 0.00 3.25 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 151 L 7.86 4.26 0.00 1.69 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.10 4.78 0.00 1.73 1.90 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 153 K 7.36 4.70 0.00 1.74 0.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.38 7.81 154 G 9.11 3.26 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 *155 E 8.10 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.