NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2990 8.3101 122.1432 54.5772 33.0876 175.1448 6 A 4.1554 8.3293 126.8792 51.5464 20.2698 171.2926 7 V 3.7618 7.4686 116.0730 63.3471 31.7704 174.2583 8 T 4.3486 8.8022 118.9387 61.6328 70.0751 174.3715 9 G 4.0121 7.0527 108.4884 46.1820 0.0000 172.1652 10 V 4.9636 8.4941 118.9129 60.9346 34.8735 174.3763 11 A 4.8396 8.7835 125.3409 50.2376 22.8057 174.8693 12 L 5.2794 8.4832 121.3271 53.3649 45.7157 175.1477 13 D 4.8389 8.8294 123.2595 52.3096 44.8738 175.2395 14 L 5.1521 8.5550 123.9493 53.7708 44.0453 176.1241 15 D 5.0525 9.1204 118.2066 53.7566 39.3207 174.8188 16 H 5.2818 8.4135 113.5685 55.0606 33.0822 173.7196 17 A 4.7482 8.5001 121.4618 50.1180 22.3804 175.1247 18 Q 4.5050 8.5798 123.4526 55.7886 30.6761 174.5197 19 I 4.4794 8.8626 128.1396 59.4753 39.5334 174.6202 20 G 4.1478 9.1562 115.3258 44.6063 0.0000 172.3600 21 L 5.1036 9.1393 126.0432 53.1537 43.6699 175.3133 22 I 4.1228 8.2669 124.5373 59.4279 41.4900 175.4683 23 G 3.9331 8.9560 116.0681 46.9922 0.0000 173.0674 24 I 4.5763 7.5814 111.4023 57.5316 40.4973 173.6472 25 P 4.3567 0.0000 0.0000 62.8206 31.6902 176.8747 26 D 4.4015 8.5775 119.1949 54.9684 40.6892 176.1531 27 Q 4.3147 7.6679 116.9553 54.5758 29.4080 174.0768 28 P 4.4149 0.0000 0.0000 63.6277 32.1138 177.1190 29 G 3.9952 9.0210 109.5399 45.7197 0.0000 175.1733 30 I 3.8898 7.7960 114.1676 63.6011 38.2927 177.7270 31 A 4.0722 8.0890 122.5394 54.5524 17.6588 179.2319 32 A 3.9887 8.0174 118.8590 55.3809 18.3035 179.8289 33 K 4.0382 7.8434 117.0989 59.1758 32.1586 179.9341 34 V 3.5706 8.1753 119.1384 66.0605 31.3969 178.0807 35 F 3.9830 8.3094 116.9712 59.6752 38.6092 177.6883 36 Q 3.9715 7.9267 119.1616 58.8600 28.6584 177.4961 37 A 4.0104 7.4480 120.7228 55.5173 18.7408 179.5017 38 L 4.0503 7.7707 116.2115 57.3770 41.7108 179.6313 39 A 4.0912 7.7095 121.2683 54.9970 18.1543 178.7963 40 E 4.2938 7.7262 113.4666 57.3137 29.5104 177.5650 41 R 4.4211 7.4559 115.9079 54.6444 32.6032 174.6904 42 G 3.7032 7.9385 104.9140 46.8892 0.0000 174.8067 43 I 4.6749 7.8933 118.0192 59.1672 39.5742 176.2343 44 A 4.3690 8.6463 128.6473 51.6625 19.4193 176.1665 45 V 4.4196 8.1666 120.7685 61.9891 32.8855 174.7811 46 D 4.6847 9.1401 127.8900 56.2583 41.6577 176.0220 47 M 5.0388 8.0693 117.0898 53.6366 36.1978 173.9879 48 I 5.3183 8.2568 120.4053 59.9918 41.5573 173.5629 49 I 4.9160 9.0209 120.7129 60.1527 41.5382 173.0799 50 Q 4.8097 8.8265 119.7705 57.1907 31.4847 175.9727 51 G 3.3478 8.9086 102.9218 46.2800 0.0000 174.1621 52 V 4.1048 8.6433 128.1471 61.7092 34.9150 172.8453 *60 Q 4.2673 7.3909 121.5598 55.8086 30.5049 173.7417 61 Q 5.1843 8.4826 121.5239 54.7679 32.2154 173.7316 62 M 5.3664 10.2016 119.0202 54.4168 36.5844 173.5189 63 A 5.2202 9.1137 123.4155 51.0206 23.2412 175.2755 64 F 5.4931 8.7603 115.3306 56.0808 41.9441 172.9701 65 T 5.1555 8.7730 109.9677 60.2574 71.7571 173.4913 66 V 5.0476 8.2999 116.0485 59.1903 36.8586 174.9727 67 K 4.3800 8.2659 120.1669 56.1743 32.6237 178.7875 68 K 3.9851 8.2612 122.3434 59.7795 31.6297 179.6035 69 D 4.5897 8.0400 118.1575 57.0838 41.3271 177.7063 70 F 4.5614 8.4505 115.8257 57.8115 39.2817 177.4232 71 A 4.0356 7.5798 120.8227 55.4087 18.2433 179.5804 72 Q 3.9012 8.0346 117.3006 59.3623 29.2399 177.7404 73 E 4.0522 8.2741 119.6208 59.3225 29.5952 178.5529 74 A 4.0680 8.1370 120.8895 54.7964 18.2165 179.5148 75 L 3.9418 7.6211 116.4300 58.1200 42.0870 179.1949 76 E 4.0937 8.1712 118.1107 59.4403 29.1934 179.2436 77 A 4.0004 7.9148 119.4890 55.3261 18.7127 179.4032 78 L 4.1444 8.1826 116.4723 56.8287 41.6929 178.7045 79 E 3.8902 7.9963 120.1475 59.0589 29.3223 176.8051 80 P 4.2258 0.0000 0.0000 65.6684 31.1521 177.9885 81 V 3.9411 7.5627 115.8726 65.0717 31.2633 177.8296 82 L 4.1140 8.2879 118.8134 56.7272 41.7131 177.1344 83 A 4.3260 7.7584 121.1266 51.2894 18.6836 176.2687 84 E 4.8186 7.8088 123.6623 57.3742 36.9761 175.4361 85 I 4.2612 7.7701 108.8578 59.8816 39.5792 176.1140 86 G 3.5929 7.3871 106.8276 44.7466 0.0000 173.1462 87 G 3.9511 8.5936 107.0134 44.8048 0.0000 172.0666 88 E 4.8331 8.6069 115.4215 54.1749 32.5811 175.2626 89 A 4.7452 8.5530 123.9352 51.6971 20.0240 176.8299 90 I 4.3441 8.6954 122.0122 59.4838 41.4480 173.4457 91 L 4.8942 8.5977 132.5762 53.5723 43.2980 175.7306 92 R 4.6297 8.8481 124.0647 53.9001 31.1201 174.5060 93 P 4.4365 0.0000 0.0000 64.1873 32.7572 176.1850 94 D 4.8557 7.9113 121.5905 54.4326 39.3999 175.2163 95 I 5.1094 7.5659 111.3461 59.1138 40.9633 175.9905 96 A 4.8558 9.2297 126.6102 50.2220 22.0245 175.5999 97 K 4.7895 8.9111 124.2261 55.0689 33.1438 174.5044 98 V 4.8165 8.2783 128.3715 61.3912 33.0715 174.7339 99 S 5.4628 9.0329 122.3037 56.5187 66.8149 172.9207 100 I 4.8422 8.3968 114.0065 59.4217 40.9020 174.5630 101 V 5.3769 8.3844 114.3984 58.3158 36.2404 176.5499 102 G 4.2476 7.2685 107.3831 45.9141 0.0000 171.1390 103 V 4.5431 7.5097 113.9876 60.5425 34.6711 175.4816 104 G 3.9053 8.7147 112.1980 46.7495 0.0000 176.0191 105 L 3.7840 8.2658 121.8865 57.2785 42.2842 179.2215 106 A 4.1160 7.6709 118.5857 55.5094 18.3708 179.3555 107 S 4.7252 7.4221 108.6750 59.2832 62.5199 175.3498 108 T 4.5643 7.6346 118.9815 59.6199 69.3471 172.3713 109 P 4.2917 0.0000 0.0000 65.9663 31.2374 177.5803 110 E 4.2432 8.0557 115.8889 57.4887 29.4958 178.8209 111 V 3.7142 8.0558 120.4474 65.4372 31.7853 176.1158 112 P 3.6723 0.0000 0.0000 65.3162 30.9127 178.1290 113 A 3.9713 7.5636 121.8540 55.5262 18.3503 180.0898 114 K 3.7582 7.8031 122.0344 60.2486 31.7446 180.5741 115 M 4.2352 7.8757 119.5786 58.7171 32.1508 178.4479 116 F 4.6659 8.1975 117.9224 60.2288 38.9975 177.6641 117 Q 3.9439 8.0381 119.4734 58.9550 28.6787 177.4061 118 A 3.9553 7.8256 120.6514 55.4408 18.7506 179.1893 119 V 3.7262 7.9550 115.8174 66.4128 31.5897 178.1683 120 A 4.0756 8.0687 120.4185 54.9692 17.9785 179.0176 121 S 4.3225 8.0443 109.5344 59.8147 63.0483 175.3898 122 T 4.4488 7.5090 113.2814 62.2762 69.6602 175.3932 123 G 4.0678 7.9417 107.3527 45.0476 0.0000 173.7381 124 A 2.9538 7.4136 123.7361 51.6166 18.5051 176.5875 125 N 4.4553 8.1410 122.5140 52.7938 39.7418 174.5023 126 I 4.1135 8.1397 126.8727 61.2981 37.9908 175.2111 127 E 4.5407 8.8235 124.3540 57.4788 31.4956 176.4466 128 M 4.9294 7.7113 116.8677 53.6771 36.7924 174.4387 129 I 5.1380 8.3162 121.1279 59.5683 41.4294 174.5973 130 A 4.7770 9.4282 127.1544 50.5197 22.3044 174.9549 131 T 4.9395 8.7165 118.7187 61.9402 70.9279 173.6487 132 S 4.7263 8.5115 119.8977 56.8979 66.1696 173.7706 133 E 4.2686 8.7113 117.5751 58.8138 30.0551 178.8112 134 V 5.1015 8.1502 110.5390 60.1172 35.0858 175.5998 135 R 5.5425 8.0730 116.7991 55.0120 33.3146 174.3224 136 I 4.4897 8.5095 123.5400 60.0064 39.1379 174.1684 137 S 5.2472 9.0610 124.3832 57.1857 64.7409 174.1986 138 V 4.9439 9.1532 117.1370 59.6276 35.4192 174.5402 139 I 4.9212 8.5196 123.3503 59.6605 40.1500 174.9949 140 I 5.0691 8.6478 119.3399 58.3591 42.0655 172.7053 141 P 4.7252 0.0000 0.0000 62.2059 31.8419 177.6833 142 A 4.0707 8.7822 124.8370 55.4611 17.9302 179.6974 143 E 3.8547 8.3347 115.8225 59.8788 29.8255 178.2970 144 Y 4.4066 8.2138 113.7511 57.7548 38.0697 177.0541 145 A 4.0223 8.1813 124.3779 55.4091 18.4825 179.5408 146 E 3.8590 8.2183 116.6237 59.5282 29.7950 178.8030 147 A 4.0047 7.9914 119.9751 55.1795 18.6136 179.3406 148 A 4.0641 8.6503 119.7976 55.0623 18.4315 179.6704 149 L 4.0064 8.4401 119.5020 58.0765 42.1038 179.2538 150 R 3.9087 8.2154 117.9691 59.4478 29.9405 178.8046 151 A 4.1943 7.9237 118.0630 54.1641 18.5300 179.2821 152 V 3.8374 7.7909 117.2145 65.7304 31.8347 177.7261 153 H 4.3587 8.3030 118.5327 59.4594 29.8210 176.5394 154 Q 4.0818 8.7276 116.2179 56.9516 28.4935 175.7803 155 A 4.5378 7.4604 116.6637 52.3010 20.8833 177.2277 156 F 4.8731 7.4976 115.7431 58.4029 40.3399 174.7878 157 E 4.1955 10.4876 127.1168 58.4753 28.6222 174.9291 158 L 4.1432 8.1139 118.9994 54.9754 41.7590 176.3222 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 K 8.31 4.30 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 6 A 8.33 4.16 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 7 V 7.47 3.76 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 0.32 0.00 0.00 -0.08 0.00 0.00 8 T 8.80 4.35 4.21 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 1.20 0.00 0.00 9 G 7.05 4.01 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 0.00 0.00 0.00 10 V 8.49 4.96 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 0.94 0.00 0.00 1.02 0.00 0.00 11 A 8.78 4.84 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 12 L 8.48 5.28 0.00 1.61 1.50 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.83 4.84 0.00 2.76 2.56 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 14 L 8.55 5.15 0.00 1.51 1.59 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.12 5.05 0.00 2.55 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 16 H 8.41 5.28 0.00 2.99 3.20 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.50 4.75 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 18 Q 8.58 4.51 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 19 I 8.86 4.48 0.66 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 0.98 0.44 0.49 0.00 0.00 20 G 9.16 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 21 L 9.14 5.10 0.00 1.68 1.67 0.95 0.95 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 22 I 8.27 4.12 1.86 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 1.15 1.59 0.90 0.00 0.00 23 G 8.96 3.93 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 0.00 0.00 0.00 24 I 7.58 4.58 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.96 0.00 0.00 25 P 0.00 4.36 0.00 2.21 2.02 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 26 D 8.58 4.40 0.00 2.64 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 27 Q 7.67 4.31 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 28 P 0.00 4.41 0.00 2.04 1.97 0.00 3.66 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 2.02 2.08 0.00 29 G 9.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.89 1.91 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 1.79 1.04 0.93 0.00 0.00 31 A 8.09 4.07 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 32 A 8.02 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.84 4.04 0.00 1.94 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 34 V 8.18 3.57 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 0.68 0.00 0.00 1.01 0.00 0.00 35 F 8.31 3.98 0.00 3.27 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 36 Q 7.93 3.97 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 37 A 7.45 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.77 4.05 0.00 1.51 1.79 0.04 1.03 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 39 A 7.71 4.09 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 40 E 7.73 4.29 0.00 1.90 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 2.35 2.35 0.00 41 R 7.46 4.42 0.00 1.73 1.86 0.00 3.59 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 42 G 7.94 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 0.00 0.00 0.00 43 I 7.89 4.67 2.06 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 1.54 0.94 1.11 0.00 0.00 44 A 8.65 4.37 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 45 V 8.17 4.42 2.28 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 0.92 0.00 0.00 0.52 0.00 0.00 46 D 9.14 4.68 0.00 2.66 2.55 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 47 M 8.07 5.04 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 48 I 8.26 5.32 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.25 1.01 0.00 0.00 49 I 9.02 4.92 1.89 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 1.32 0.41 0.93 0.00 0.00 50 Q 8.83 4.81 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 51 G 8.91 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.64 4.10 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 0.64 0.00 0.00 0.93 0.00 0.00 *60 Q 7.39 4.27 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 61 Q 8.48 5.18 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 62 M 10.20 5.37 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 63 A 9.11 5.22 1.18 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 0.00 0.00 64 F 8.76 5.49 0.00 3.09 3.10 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 0.00 0.00 0.00 65 T 8.77 5.16 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 1.20 0.00 0.00 66 V 8.30 5.05 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 1.13 0.00 0.00 1.06 0.00 0.00 67 K 8.27 4.38 0.00 1.19 1.42 0.00 1.41 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 0.47 7.81 68 K 8.26 3.99 0.00 1.75 1.88 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.39 7.81 69 D 8.04 4.59 0.00 3.12 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 70 F 8.45 4.56 0.00 3.12 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 71 A 7.58 4.04 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 72 Q 8.03 3.90 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 73 E 8.27 4.05 0.00 2.01 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 2.33 2.33 0.00 74 A 8.14 4.07 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 75 L 7.62 3.94 0.00 1.90 1.75 0.91 0.72 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 76 E 8.17 4.09 0.00 2.18 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 2.55 0.00 77 A 7.91 4.00 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 78 L 8.18 4.14 0.00 1.91 1.77 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.00 3.89 0.00 2.06 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 2.37 0.00 80 P 0.00 4.23 0.00 2.06 2.15 0.00 4.01 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 2.04 2.18 0.00 81 V 7.56 3.94 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 1.10 0.00 0.00 0.99 0.00 0.00 82 L 8.29 4.11 0.00 1.86 1.71 0.98 1.03 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 83 A 7.76 4.33 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 84 E 7.81 4.82 0.00 2.07 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 2.19 2.28 0.00 85 I 7.77 4.26 1.89 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 1.47 0.82 0.93 0.00 0.00 86 G 7.39 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 87 G 8.59 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 0.00 0.00 0.00 88 E 8.61 4.83 0.00 2.00 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 2.16 2.21 0.00 89 A 8.55 4.75 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 90 I 8.70 4.34 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 1.08 1.22 0.94 0.00 0.00 91 L 8.60 4.89 0.00 1.61 1.52 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.85 4.63 0.00 1.85 2.00 0.00 2.77 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 93 P 0.00 4.44 0.00 2.20 2.21 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 94 D 7.91 4.86 0.00 2.84 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 95 I 7.57 5.11 1.88 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 1.28 0.96 0.97 0.00 0.00 96 A 9.23 4.86 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 97 K 8.91 4.79 0.00 1.88 1.76 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 98 V 8.28 4.82 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 0.98 0.00 0.00 0.98 0.00 0.00 99 S 9.03 5.46 0.00 3.91 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 0.00 100 I 8.40 4.84 1.70 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 1.34 0.74 0.91 0.00 0.00 101 V 8.38 5.38 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 0.92 0.00 0.00 0.95 0.00 0.00 102 G 7.27 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 0.00 103 V 7.51 4.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.97 0.00 0.00 112 P 0.00 3.67 0.00 1.96 2.04 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 113 A 7.56 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.80 3.76 0.00 1.80 1.85 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 115 M 7.88 4.24 0.00 1.80 2.21 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 116 F 8.20 4.67 0.00 3.07 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 0.00 117 Q 8.04 3.94 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 118 A 7.83 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.96 3.73 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 1.03 0.00 0.00 1.14 0.00 0.00 120 A 8.07 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.32 0.00 4.06 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 0.00 122 T 7.51 4.45 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 1.36 0.00 0.00 123 G 7.94 4.07 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 0.00 124 A 7.41 2.95 1.03 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 0.00 0.00 125 N 8.14 4.46 0.00 2.57 2.62 0.00 0.00 7.27 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.14 4.11 1.70 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 1.37 0.57 0.75 0.00 0.00 127 E 8.82 4.54 0.00 1.78 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 2.20 2.35 0.00 128 M 7.71 4.93 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 129 I 8.32 5.14 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 0.97 0.00 0.00 130 A 9.43 4.78 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 0.00 131 T 8.72 4.94 4.29 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 1.24 0.00 0.00 132 S 8.51 4.73 0.00 3.97 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 0.00 133 E 8.71 4.27 0.00 1.98 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 2.39 2.40 0.00 134 V 8.15 5.10 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 0.71 0.00 0.00 0.92 0.00 0.00 135 R 8.07 5.54 0.00 2.07 1.96 0.00 3.01 0.00 0.00 3.27 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 136 I 8.51 4.49 1.86 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 1.30 1.08 1.00 0.00 0.00 137 S 9.06 5.25 0.00 3.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 9.15 4.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.09 0.00 0.00 139 I 8.52 4.92 1.86 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 1.28 1.01 0.90 0.00 0.00 140 I 8.65 5.07 1.79 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 0.92 0.00 0.00 141 P 0.00 4.73 0.00 2.45 2.20 0.00 3.47 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 142 A 8.78 4.07 1.43 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 0.00 0.00 0.00 143 E 8.33 3.85 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 144 Y 8.21 4.41 0.00 2.96 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 0.00 145 A 8.18 4.02 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 0.00 146 E 8.22 3.86 0.00 2.05 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 2.40 0.00 147 A 7.99 4.00 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 0.00 148 A 8.65 4.06 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 0.00 149 L 8.44 4.01 0.00 1.92 1.94 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.22 3.91 0.00 2.13 1.99 0.00 3.37 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 151 A 7.92 4.19 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 0.00 152 V 7.79 3.84 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 1.18 0.00 0.00 1.05 0.00 0.00 153 H 8.30 4.36 0.00 3.33 3.51 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.73 4.08 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 155 A 7.46 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 7.50 4.87 0.00 3.03 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 0.00 157 E 10.49 4.20 0.00 2.16 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 2.25 2.23 0.00 158 L 8.11 4.14 0.00 1.62 1.35 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.