NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.8786 8.0700 122.9830 52.1640 21.0048 178.8033 2 L 3.8787 7.9239 117.6965 57.3027 42.0655 176.9524 3 R 3.8231 8.7923 119.6008 59.5210 30.5078 177.6776 4 D 4.3242 8.0026 118.1643 57.3798 40.4824 178.8018 5 R 3.9420 8.1780 118.6745 59.2259 30.0839 179.2706 6 V 3.1106 7.9258 118.3049 65.8230 31.2581 178.2660 7 K 3.9662 7.7330 117.0321 59.0984 31.9199 178.9809 8 K 4.1355 7.7531 117.8170 57.1610 32.1357 176.9204 9 L 4.3447 7.1142 121.8047 55.1810 42.6203 176.4933 10 K 4.6623 8.9686 122.1050 55.7986 35.7879 175.8193 11 L 5.0198 7.8073 121.9013 53.3516 45.7201 174.1466 12 L 5.0922 9.1546 129.1335 53.7173 44.3014 176.0671 13 I 4.9629 8.4028 127.7506 59.2314 40.0987 174.0892 *15 D 4.7777 8.3460 121.5289 54.9461 41.5420 173.6603 16 I 4.2749 7.5470 118.8934 62.8932 39.3359 175.4456 17 D 4.5699 7.8167 121.7805 56.1606 40.8612 177.0634 18 G 4.0802 8.6483 111.9120 46.4177 0.0000 172.7773 19 V 4.1864 7.6687 116.2027 64.2438 33.4089 176.7482 20 L 4.6160 8.2497 116.7145 55.1228 42.1625 176.4084 21 T 4.6986 7.4685 114.9820 61.7806 72.3280 173.3308 22 D 4.9790 8.0996 120.4428 52.7568 39.4989 177.4894 23 G 4.0203 8.2253 109.5734 45.6356 0.0000 174.7273 24 K 4.0248 7.5993 119.2874 56.3142 32.4910 176.3176 25 L 4.8160 8.2531 122.3772 53.2953 44.3399 175.5517 26 Y 4.4885 8.8827 122.7737 57.2158 39.2567 174.2351 27 Y 5.1477 8.8466 122.2635 56.4590 41.0998 175.3941 28 T 4.7712 8.6395 113.8393 59.3915 71.7124 174.0399 29 E 3.8950 8.8761 120.8703 59.6539 29.4299 177.4092 30 H 4.7992 7.9557 113.0557 55.6108 29.5915 174.4342 31 G 3.7161 7.8856 105.9891 44.1180 0.0000 174.1026 32 E 4.4443 8.0267 119.0032 55.3300 27.8423 177.0003 33 T 4.4144 7.9840 113.3192 60.8193 70.4438 175.1010 34 I 4.4889 7.5551 122.7689 59.2193 39.9278 174.6087 35 K 4.3519 8.3590 125.0435 54.2937 34.9983 175.2630 36 V 4.0747 7.8476 125.1804 59.7695 32.9607 174.8661 37 F 4.9355 8.4535 122.0750 55.3853 42.4539 173.3325 38 N 5.0836 8.5075 118.7474 51.4907 41.0314 175.5762 39 V 3.7892 8.4817 125.2623 64.8755 31.2799 178.6199 40 L 3.9924 8.4214 119.8092 57.8613 41.5095 179.0515 41 D 4.4873 7.9070 117.5646 57.2278 40.8003 179.1725 42 G 3.5855 7.9362 105.8508 47.8299 0.0000 175.6697 43 I 3.8377 7.6557 122.5109 63.9196 37.1200 178.7744 44 G 3.5958 8.2034 106.6261 47.8013 0.0000 175.4602 45 I 3.7076 8.2001 122.9908 64.2817 37.1956 178.6615 46 K 4.2399 7.8478 119.9046 58.8963 31.6568 179.2511 47 L 3.9647 7.8921 119.6794 58.1069 42.3482 178.7590 48 L 4.1590 8.0951 119.0682 57.7814 41.5255 179.4281 49 Q 4.2249 8.0141 117.6926 58.4688 28.6554 179.1268 50 K 4.2196 8.0281 120.6411 55.8222 31.8576 177.7562 *52 G 3.7546 7.8960 104.2050 45.2599 0.0000 172.9742 53 I 4.4668 7.4591 121.1872 59.4642 38.1715 176.2094 54 T 3.9869 8.6642 125.2345 63.7305 69.3640 173.4776 55 L 5.2384 8.4717 125.1712 53.1249 43.9813 175.6162 56 A 5.0319 9.2590 123.6928 50.1745 23.3250 174.9459 57 V 4.5394 9.0425 119.3498 61.2033 34.6080 174.5464 58 I 5.0121 8.6513 128.4515 59.7775 39.1223 174.3973 59 S 4.9858 9.2654 122.5814 56.2022 64.5117 175.1413 60 G 3.8030 8.9252 112.4621 48.4422 0.0000 173.2807 61 R 5.0243 7.6714 118.7327 54.5482 32.1883 175.4649 62 D 5.1030 8.3751 120.9871 52.8850 44.2031 175.2445 63 S 4.5117 8.2939 115.9617 55.9832 65.7288 175.0794 64 A 3.9831 8.8055 129.8600 55.1360 18.2829 178.3444 65 P 4.2590 0.0000 0.0000 65.3555 31.3318 178.7605 66 L 4.2055 7.9061 118.9662 58.3714 42.1942 178.9247 67 I 3.7547 7.6344 119.3165 64.4455 36.9987 178.2872 68 T 3.8222 7.9951 116.7397 66.8078 68.4329 176.3885 69 R 3.6985 7.8972 120.0606 59.3216 30.0360 178.4883 70 L 3.8549 8.1418 119.0385 57.7613 41.6631 179.6543 71 K 3.9048 8.5681 118.6694 59.4741 31.7622 178.8736 72 E 3.9146 7.9983 118.3969 59.1504 29.6187 178.1578 73 L 4.3081 7.5647 115.6076 54.5964 41.9396 177.5024 74 G 3.7753 7.8192 107.1633 45.8190 0.0000 173.6743 75 V 3.6999 7.8676 122.4756 63.0629 31.6164 175.9398 76 E 4.2550 8.6886 123.5171 58.1853 30.5698 173.4162 77 E 4.2858 8.0234 125.8394 56.5621 29.4246 174.5913 78 I 4.7037 7.8859 124.4066 59.4217 39.8451 174.7421 79 Y 4.7390 9.3580 125.4842 56.5379 40.5723 174.7506 80 T 5.3672 8.3496 114.0839 59.9782 71.5492 174.8664 81 G 3.9766 8.7029 111.1650 45.5156 0.0000 173.1765 82 S 4.8669 7.4166 115.1621 56.5920 65.9259 173.2122 *85 K 4.3585 8.3504 117.8532 56.9759 33.9989 178.1523 86 L 4.0262 7.8015 119.8791 57.8038 41.7698 178.4488 87 E 3.9482 8.2044 118.2633 59.7334 29.6122 179.3656 88 I 3.5371 7.6501 119.0668 64.2720 37.0635 177.4739 89 Y 4.2021 8.1603 120.5338 61.0944 38.4626 178.3950 90 E 3.7547 8.1967 119.0978 59.1451 29.5581 179.3975 91 K 3.9311 7.7423 118.5927 59.3315 32.0057 179.4959 92 I 3.9233 7.5345 119.7183 64.1511 37.1014 178.1076 93 K 3.7979 7.7388 120.5064 59.4849 31.8414 178.4493 94 E 3.8811 8.3752 119.6615 59.0819 29.4116 178.5488 95 K 3.8780 7.8739 118.4837 59.0566 32.2872 177.3802 96 Y 4.4212 7.8398 113.5641 56.3739 38.7602 175.6172 97 S 3.6912 7.5572 114.6601 59.6845 61.1626 171.9029 98 L 4.8103 7.9314 117.8498 53.2249 44.0351 176.6884 99 K 4.5364 9.0684 120.1690 54.7841 34.3050 177.8801 100 D 4.7671 8.9645 119.1908 57.0887 40.7447 179.1476 101 E 4.1587 8.1988 114.9700 58.4473 29.9970 177.0937 102 E 4.6430 7.9232 117.5370 55.7247 30.4614 175.2044 103 I 5.1264 7.7753 120.4121 59.4768 40.4580 174.8473 104 G 4.8002 9.3007 111.5389 44.7389 0.0000 171.8232 105 F 5.0495 9.0705 122.5589 56.7004 43.0224 172.8147 106 I 4.6658 8.1713 127.8719 59.6305 38.6552 174.4799 107 G 4.4773 9.0952 116.5190 44.8790 0.0000 171.8677 108 D 4.5651 9.2226 114.2484 55.0118 45.3604 174.7506 109 D 4.7552 7.9598 117.0881 52.1673 43.3404 176.8485 110 V 3.5615 8.2324 122.2292 66.0439 31.5751 177.6547 111 V 3.8601 7.7353 115.7747 63.6449 31.5713 175.6304 112 D 4.4640 7.9993 119.1776 55.7066 41.8718 178.6475 113 I 3.6189 7.4968 119.8448 64.4524 36.9365 176.7033 114 E 3.9512 8.2953 120.2638 59.4182 29.4988 180.6033 115 V 3.3715 6.7667 116.7485 62.5958 30.5427 177.6970 *117 K 4.2258 8.0759 119.0661 55.7221 34.0123 177.6596 118 K 4.1034 7.2207 118.1086 58.8248 32.3204 178.1162 119 V 4.0030 7.4257 117.0652 62.8860 31.9446 175.9128 120 G 3.8075 8.6862 111.6134 47.8926 0.0000 173.6545 121 F 5.3512 8.2052 122.5744 55.6245 39.4208 170.9189 122 P 4.9374 0.0000 0.0000 61.9635 33.1842 176.0894 123 V 4.7937 9.2006 124.8063 60.7914 34.4052 173.8509 124 A 5.2472 8.5373 129.2820 50.1097 21.7408 176.5511 125 V 4.5497 7.9355 120.5022 60.3378 32.9861 177.3153 126 R 3.8266 8.2760 122.4123 59.6470 29.5248 177.7572 127 N 4.4520 7.6907 110.4584 53.9624 37.7570 174.8156 128 A 4.5061 7.4646 121.7723 51.6188 19.0599 178.0914 129 V 3.6912 7.8556 119.8054 63.1181 33.4014 177.0536 130 E 3.8851 8.7727 124.4878 59.6738 29.5817 179.1344 131 E 3.9274 8.1346 117.9960 59.2389 29.4262 179.4787 132 V 3.6411 7.6207 117.7457 66.1889 31.6110 178.1168 133 R 3.9106 7.9713 116.6155 59.2149 29.8942 178.6754 134 K 4.0782 8.1514 119.0969 59.3048 32.2656 178.8560 135 V 3.6672 7.3142 116.2942 64.4735 31.8434 176.4785 136 A 4.1899 7.1776 121.1732 52.3273 18.6474 177.3051 137 V 4.1259 8.1423 121.3091 64.0385 32.6648 175.4583 138 Y 4.8442 7.6627 120.9682 56.2916 42.3811 173.3067 139 I 4.8880 7.1545 126.6253 59.2690 39.8619 175.6299 140 T 4.1916 8.2745 117.5425 61.6405 69.5960 175.9626 141 Q 3.9546 9.4889 123.3983 58.9897 29.2057 177.8683 142 R 4.2885 8.2962 117.3862 56.1127 30.5275 177.1530 143 N 4.6485 8.5055 118.6371 53.3288 38.7604 174.5217 144 G 3.8905 8.0235 110.2883 47.0028 0.0000 174.7635 145 G 4.0502 8.8485 112.7593 45.7469 0.0000 173.4712 146 E 4.4005 8.2104 117.1588 56.0838 29.7426 176.0814 147 G 3.8967 8.0594 106.9896 46.0118 0.0000 176.0161 148 A 4.0505 8.2248 122.9891 54.9171 18.5092 179.6030 149 L 4.0202 8.8532 118.0152 57.6829 41.6318 179.4996 150 R 3.8922 8.1373 118.3592 59.5550 30.0813 178.0649 151 E 3.9709 7.9842 118.5507 59.2095 29.5886 178.9834 152 V 3.6869 7.9116 118.3438 65.6377 31.5222 177.9159 153 A 3.9964 8.2114 120.6612 55.2231 18.2643 179.3273 154 E 3.9327 8.3471 117.2018 59.4845 29.5355 179.4268 155 L 3.9168 7.7364 119.6702 58.3314 42.2652 179.1191 156 I 3.5923 7.7512 119.7325 64.4900 36.7662 177.8415 157 H 4.1158 8.2223 118.2671 59.2567 29.7578 176.8332 158 F 4.2353 8.0137 121.1663 61.3450 39.4052 176.9545 159 L 3.9080 7.8149 116.7028 56.5268 41.4841 177.8014 160 K 4.1834 7.5929 122.6959 56.4049 32.3185 176.2220 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 A 8.07 4.88 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 2 L 7.92 3.88 0.00 1.94 1.74 1.22 0.73 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 3 R 8.79 3.82 0.00 1.90 1.89 0.00 3.18 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 1.62 1.73 0.00 4 D 8.00 4.32 0.00 2.89 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 5 R 8.18 3.94 0.00 2.08 2.08 0.00 3.27 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 6 V 7.93 3.11 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 0.81 0.00 0.00 0.45 0.00 0.00 7 K 7.73 3.97 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.65 7.81 8 K 7.75 4.14 0.00 2.01 1.85 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.63 7.81 9 L 7.11 4.34 0.00 1.44 1.56 1.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.97 4.66 0.00 1.70 1.74 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.52 7.81 11 L 7.81 5.02 0.00 1.51 1.39 0.34 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.15 5.09 0.00 1.81 1.51 1.02 1.02 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 13 I 8.40 4.96 1.99 0.00 0.00 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 1.20 1.69 0.92 0.00 0.00 *15 D 8.35 4.78 0.00 2.68 2.64 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 0.00 0.00 0.00 0.00 16 I 7.55 4.27 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 1.07 0.00 0.00 17 D 7.82 4.57 0.00 2.70 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 18 G 8.65 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 19 V 7.67 4.19 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 1.02 0.00 0.00 0.99 0.00 0.00 20 L 8.25 4.62 0.00 1.81 2.00 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.47 4.70 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 1.26 0.00 0.00 22 D 8.10 4.98 0.00 2.77 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 23 G 8.23 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 0.00 0.00 0.00 24 K 7.60 4.02 0.00 1.89 1.56 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 25 L 8.25 4.82 0.00 1.65 1.87 1.05 0.96 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 26 Y 8.88 4.49 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.85 5.15 0.00 2.74 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 28 T 8.64 4.77 4.28 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 1.25 0.00 0.00 29 E 8.88 3.89 0.00 1.91 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 2.11 2.30 0.00 30 H 7.96 4.80 0.00 3.17 3.29 0.00 5.92 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 31 G 7.89 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 0.00 0.00 0.00 32 E 8.03 4.44 0.00 1.25 1.65 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 2.18 2.26 0.00 33 T 7.98 4.41 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 1.19 0.00 0.00 34 I 7.56 4.49 1.86 0.00 0.00 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 1.27 0.69 0.65 0.00 0.00 35 K 8.36 4.35 0.00 1.59 1.59 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.48 1.13 7.81 36 V 7.85 4.07 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 0.73 0.00 0.00 0.82 0.00 0.00 37 F 8.45 4.94 0.00 3.03 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 38 N 8.51 5.08 0.00 2.83 2.82 0.00 0.00 6.65 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 39 V 8.48 3.79 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 0.87 0.00 0.00 0.93 0.00 0.00 40 L 8.42 3.99 0.00 1.80 1.77 0.94 0.90 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 41 D 7.91 4.49 0.00 2.96 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 42 G 7.94 3.59 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 0.00 43 I 7.66 3.84 2.00 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 1.67 0.82 0.90 0.00 0.00 44 G 8.20 3.60 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 45 I 8.20 3.71 1.99 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 1.71 1.24 0.88 0.00 0.00 46 K 7.85 4.24 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.43 7.81 47 L 7.89 3.96 0.00 1.89 1.76 0.95 0.87 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 48 L 8.10 4.16 0.00 1.96 1.69 0.95 0.65 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 49 Q 8.01 4.22 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.18 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 50 K 8.03 4.22 0.00 1.86 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.59 7.81 *52 G 7.90 3.75 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 0.00 0.00 0.00 53 I 7.46 4.47 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.95 0.00 0.00 54 T 8.66 3.99 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 0.96 0.00 0.00 55 L 8.47 5.24 0.00 1.49 1.54 0.90 0.77 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 56 A 9.26 5.03 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 57 V 9.04 4.54 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 1.12 0.00 0.00 0.93 0.00 0.00 58 I 8.65 5.01 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 1.02 0.00 0.00 59 S 9.27 4.99 0.00 3.91 3.74 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 60 G 8.93 3.80 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 0.00 0.00 0.00 61 R 7.67 5.02 0.00 1.84 1.89 0.00 3.30 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 62 D 8.38 5.10 0.00 2.66 2.53 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 63 S 8.29 4.51 0.00 3.86 3.66 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 64 A 8.81 3.98 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 65 P 0.00 4.26 0.00 2.24 2.16 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 66 L 7.91 4.21 0.00 1.91 1.94 1.15 1.22 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 67 I 7.63 3.75 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 1.51 0.58 0.89 0.00 0.00 68 T 8.00 3.82 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 1.19 0.00 0.00 69 R 7.90 3.70 0.00 1.64 1.72 0.00 2.85 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 70 L 8.14 3.85 0.00 1.76 1.64 0.92 0.87 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 71 K 8.57 3.90 0.00 1.70 1.83 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 72 E 8.00 3.91 0.00 2.05 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 2.28 2.32 0.00 73 L 7.56 4.31 0.00 1.59 1.63 0.76 0.89 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 74 G 7.82 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 75 V 7.87 3.70 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 0.74 0.00 0.00 0.89 0.00 0.00 76 E 8.69 4.26 0.00 2.02 1.83 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 2.17 1.88 0.00 77 E 8.02 4.29 0.00 1.99 2.23 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 2.60 2.50 0.00 78 I 7.89 4.70 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.90 0.00 0.00 79 Y 9.36 4.74 0.00 3.03 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 80 T 8.35 5.37 4.43 0.00 0.00 0.00 0.00 0.00 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 81 G 8.70 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.42 4.87 0.00 3.94 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 *85 K 8.35 4.36 0.00 1.81 1.86 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.47 7.81 86 L 7.80 4.03 0.00 1.72 1.66 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.20 3.95 0.00 2.02 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 2.41 2.37 0.00 88 I 7.65 3.54 1.76 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 1.43 0.75 0.03 0.00 0.00 89 Y 8.16 4.20 0.00 3.00 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 90 E 8.20 3.75 0.00 2.11 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 2.31 2.32 0.00 91 K 7.74 3.93 0.00 1.85 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.66 7.81 92 I 7.53 3.92 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 0.96 0.00 0.00 93 K 7.74 3.80 0.00 1.48 1.73 0.00 1.60 0.00 0.00 1.06 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.36 7.81 94 E 8.38 3.88 0.00 2.28 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 2.29 2.29 0.00 95 K 7.87 3.88 0.00 1.92 2.01 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.79 1.27 7.81 96 Y 7.84 4.42 0.00 3.08 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 97 S 7.56 3.69 0.00 3.97 3.90 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 98 L 7.93 4.81 0.00 1.62 1.60 0.91 1.05 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 99 K 9.07 4.54 0.00 1.87 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.40 7.81 100 D 8.96 4.77 0.00 2.81 3.05 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 0.00 0.00 0.00 101 E 8.20 4.16 0.00 2.11 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 0.00 2.31 2.36 0.00 102 E 7.92 4.64 0.00 2.05 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 2.28 2.25 0.00 103 I 7.78 5.13 2.12 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 1.21 1.22 0.00 0.00 104 G 9.30 4.80 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 0.00 0.00 0.00 105 F 9.07 5.05 0.00 3.06 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 0.00 106 I 8.17 4.67 1.81 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 1.13 1.13 0.84 0.00 0.00 107 G 9.10 4.48 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 0.00 108 D 9.22 4.57 0.00 2.77 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 0.00 109 D 7.96 4.76 0.00 2.77 2.53 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 0.00 110 V 8.23 3.56 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 0.88 0.00 0.00 0.92 0.00 0.00 111 V 7.74 3.86 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 0.85 0.00 0.00 0.97 0.00 0.00 112 D 8.00 4.46 0.00 2.94 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 0.00 0.00 0.00 0.00 113 I 7.50 3.62 1.84 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 1.13 0.50 0.85 0.00 0.00 114 E 8.30 3.95 0.00 1.90 1.83 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 2.28 2.25 0.00 115 V 6.77 3.37 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 0.04 0.00 0.00 0.59 0.00 0.00 *117 K 8.08 4.23 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.54 7.81 118 K 7.22 4.10 0.00 1.80 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.39 7.81 119 V 7.43 4.00 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 0.95 0.00 0.00 0.85 0.00 0.00 120 G 8.69 3.81 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 0.00 0.00 0.00 121 F 8.21 5.35 0.00 3.07 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 0.00 122 P 0.00 4.94 0.00 2.12 2.15 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 123 V 9.20 4.79 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 1.14 0.00 0.00 0.21 0.00 0.00 124 A 8.54 5.25 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 0.00 125 V 7.94 4.55 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 0.93 0.00 0.00 1.03 0.00 0.00 126 R 8.28 3.83 0.00 2.05 2.14 0.00 3.25 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 127 N 7.69 4.45 0.00 2.97 3.05 0.00 0.00 6.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.46 4.51 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 0.00 129 V 7.86 3.69 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 1.14 0.00 0.00 1.01 0.00 0.00 130 E 8.77 3.89 0.00 2.10 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 2.36 2.46 0.00 131 E 8.13 3.93 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 132 V 7.62 3.64 2.23 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 1.08 0.00 0.00 0.96 0.00 0.00 133 R 7.97 3.91 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 134 K 8.15 4.08 0.00 1.89 1.81 0.00 1.78 0.00 0.00 1.62 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 135 V 7.31 3.67 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 0.82 0.00 0.00 0.95 0.00 0.00 136 A 7.18 4.19 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 0.00 137 V 8.14 4.13 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 0.85 0.00 0.00 0.98 0.00 0.00 138 Y 7.66 4.84 0.00 3.14 2.64 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 0.00 0.00 0.00 0.00 139 I 7.15 4.89 1.60 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.77 0.00 0.00 140 T 8.27 4.19 4.47 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 1.39 0.00 0.00 141 Q 9.49 3.95 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 142 R 8.30 4.29 0.00 2.07 1.87 0.00 3.29 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 143 N 8.51 4.65 0.00 2.86 2.86 0.00 0.00 7.15 7.18 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 0.00 144 G 8.02 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 0.00 145 G 8.85 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.21 4.40 0.00 1.98 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 2.25 2.30 0.00 147 G 8.06 3.90 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 0.00 148 A 8.22 4.05 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 0.00 149 L 8.85 4.02 0.00 1.85 1.74 0.93 0.81 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 0.00 150 R 8.14 3.89 0.00 2.06 2.14 0.00 3.23 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 151 E 7.98 3.97 0.00 2.14 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 0.00 2.46 2.40 0.00 152 V 7.91 3.69 2.27 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 1.15 0.00 0.00 1.13 0.00 0.00 153 A 8.21 4.00 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 0.00 154 E 8.35 3.93 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 155 L 7.74 3.92 0.00 1.56 1.71 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.75 3.59 1.85 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 1.07 0.95 0.82 0.00 0.00 157 H 8.22 4.12 0.00 3.15 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.01 4.24 0.00 3.04 3.20 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 0.00 159 L 7.81 3.91 0.00 1.68 1.62 1.23 0.98 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 0.00 160 K 7.59 4.18 0.00 1.79 1.63 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.