NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2858 8.0433 122.7585 54.9673 43.8200 174.9577 4 I 4.7717 8.2706 127.0484 58.7283 39.0403 173.3757 5 L 4.7597 9.6708 129.7470 53.4322 46.1262 174.6787 6 S 5.2191 8.7774 121.8776 56.6137 65.2436 173.0950 7 I 4.7974 8.8535 125.8390 59.9484 38.9229 175.2341 8 V 4.5755 9.8573 120.0793 58.9061 36.0878 176.1041 9 G 3.0884 7.7948 106.5610 45.9065 0.0000 172.4621 10 T 4.4359 7.7385 111.1876 60.3793 70.2931 174.1284 11 S 4.0283 8.5544 118.2117 59.5716 63.5881 175.0705 *13 S 4.3832 8.6188 117.2995 57.9926 64.5798 176.1323 14 G 3.6013 8.1020 110.5714 48.2097 0.0000 176.2758 15 K 3.9244 7.9611 120.2980 59.6116 32.0871 179.1972 16 T 3.8466 7.8421 115.2180 67.1257 68.4101 176.3979 17 T 3.9329 7.6706 118.4328 65.8425 68.4624 176.3362 18 L 3.8919 7.8165 121.6573 58.2079 42.2723 178.8234 19 I 3.6736 7.7584 119.9647 64.8596 37.2370 178.5954 20 T 3.9583 8.2278 110.6963 64.8397 68.4419 176.9306 21 R 4.0729 8.2091 120.5493 59.1422 30.4243 178.5946 22 M 4.1868 8.6091 118.8360 57.9607 31.7950 178.3498 23 M 3.9945 7.7238 118.4279 58.2643 32.3273 176.3081 24 P 4.2409 0.0000 0.0000 65.7122 31.0580 178.6363 25 I 3.6987 7.6690 117.9671 64.3909 36.8966 178.3156 26 L 4.0598 7.9286 119.8237 57.9188 41.3562 179.8860 27 R 4.1511 8.2782 118.1379 59.1898 29.8259 178.7040 28 E 4.0059 8.2419 117.7556 59.3165 29.4851 178.7416 29 R 4.3667 7.4360 114.3308 55.9818 30.2091 177.0329 30 G 3.8864 8.1743 107.3323 45.6501 0.0000 173.5732 31 L 4.5894 7.3650 118.7583 53.9691 42.9455 176.5993 32 R 4.5599 9.3385 122.6397 55.0796 31.6984 175.6291 33 V 5.1134 8.6841 123.1214 61.0400 34.5379 174.2552 34 A 4.6709 8.6637 128.3812 49.9084 22.2954 174.9715 35 V 4.6961 8.1682 119.5374 61.0815 34.1653 174.9898 36 V 4.1893 8.7777 128.8309 61.7379 32.6599 174.5749 37 K 4.9872 8.6029 128.3165 54.7641 33.5099 176.0574 38 R 4.1679 8.0494 127.3033 55.7771 30.9148 175.4951 39 H 4.5910 8.7193 123.6644 54.0178 29.0563 175.6426 40 A 4.1004 8.3017 127.3623 52.3556 18.7921 178.0302 *52 D 4.7225 8.6422 119.4519 55.7948 41.9093 178.0244 53 S 4.3257 9.2022 126.2897 61.5836 63.7317 175.9266 54 W 4.1622 8.2901 131.9751 60.3093 30.5139 177.7551 55 K 3.6510 8.5164 118.0254 59.4777 31.2865 179.2203 56 I 3.6089 7.3498 118.5258 64.4917 37.1558 177.5197 57 Y 4.8263 8.3309 122.0121 60.3548 38.3410 178.0811 58 N 3.9656 8.1538 117.0694 56.1188 38.8731 176.5130 59 S 4.1778 7.4102 114.6376 59.2222 63.2958 173.9078 60 G 3.3571 6.7320 109.7215 44.9394 0.0000 173.4685 61 A 4.6530 7.4435 124.1716 50.1640 21.0485 176.2431 62 D 5.1024 8.3754 120.7522 54.2867 42.3019 175.9954 63 V 4.5648 8.8871 120.3365 61.2523 34.9594 174.2099 64 V 4.9472 8.6747 127.2708 61.5312 33.1807 174.6317 65 I 4.4805 9.1163 129.1819 59.7650 38.9650 174.2432 66 A 5.0833 8.6359 129.5053 50.1739 20.7461 175.7310 67 S 4.7355 8.5176 115.8619 55.3574 66.6091 172.3557 68 P 4.3682 0.0000 0.0000 65.4407 30.7210 177.5020 69 V 4.4311 7.6566 107.6620 60.2327 33.2653 174.9325 70 K 4.6013 7.9641 120.9419 54.6658 35.3070 174.2043 71 L 5.2883 8.5101 126.6728 53.1584 44.9392 175.0341 72 A 4.8735 9.0873 127.2426 50.0354 22.1892 174.6306 73 F 5.4633 8.8441 123.5192 56.5541 42.1971 173.8802 74 I 4.3662 8.9488 127.8855 59.2948 39.4890 174.9878 75 R 5.1159 7.9622 122.5609 53.9782 32.5324 175.4654 76 R 4.2039 8.9663 120.6980 56.5968 30.6855 176.7686 77 V 4.6383 7.9588 114.1428 58.6510 35.6091 176.2346 78 S 4.3635 8.6146 117.5681 57.9302 64.9948 175.2026 79 E 3.9166 8.6620 121.9807 59.9619 28.9483 179.6760 80 E 3.9690 7.9271 116.7797 59.2069 29.8444 178.9205 81 E 3.4979 7.8533 118.4562 59.1892 29.2363 179.6634 82 G 3.7818 8.0507 104.5398 47.3944 0.0000 174.4498 83 N 5.1720 8.0333 115.8881 52.7222 39.5588 175.4447 84 D 4.7863 7.9584 121.8632 52.5206 41.4502 175.9560 85 L 3.7635 8.1656 129.1105 58.0679 42.0923 178.1701 86 D 4.4506 8.1890 118.3012 56.5475 40.7792 178.3791 87 W 4.1357 8.6020 129.2478 60.5552 30.8080 177.9027 88 I 3.4281 8.0033 119.2775 64.5389 36.5969 177.7671 89 Y 3.8888 8.0906 120.0326 60.8144 38.4685 177.9499 90 E 3.9632 8.2414 118.2059 59.2408 29.5991 179.2240 91 R 3.4664 7.6056 118.0215 58.9589 30.1848 177.3380 92 Y 4.7843 7.3941 112.3251 57.3596 39.9855 176.3553 93 L 5.0016 7.3774 118.9203 54.2102 42.8340 178.5264 94 S 3.6338 7.7888 115.6009 60.6073 63.0828 174.8553 95 D 4.4196 7.8078 118.7974 54.5906 39.7755 176.0598 96 Y 4.2250 7.6461 118.5466 57.7237 38.6763 175.3869 97 D 4.6342 8.6711 124.1692 56.9979 41.8486 177.0044 98 L 4.8753 7.9513 119.8533 53.4497 45.8280 174.8675 99 V 4.8971 9.1127 126.5036 61.1564 34.3110 173.9653 100 I 5.0352 8.6361 128.8559 59.7297 39.7511 174.8330 101 T 4.8154 8.9353 117.9024 60.6970 70.6990 173.6781 102 E 4.6079 9.3891 126.2715 55.4881 30.3869 175.1850 103 G 4.1239 8.8149 118.8420 43.8205 0.0000 173.1923 104 F 3.7874 8.7608 114.3833 58.2886 36.8696 177.5457 105 S 4.2544 8.3498 116.3485 61.2474 62.5579 175.8804 106 K 4.1082 8.1875 117.6492 59.1799 32.2447 177.6020 107 A 4.0758 8.2598 122.8169 52.9851 18.3991 178.6115 108 G 4.6060 8.2647 103.1360 46.0463 0.0000 174.2471 109 K 4.2227 7.3655 117.8849 55.7230 32.9937 176.7843 110 D 4.8058 8.8240 122.1334 55.4587 41.9656 176.0257 111 R 5.2534 9.4646 118.0149 54.5832 33.6364 173.8512 112 I 4.7835 8.6409 121.6919 60.1478 39.2624 174.7948 113 V 4.3608 8.4752 127.5608 61.4905 33.3339 174.5403 114 V 4.7671 8.7568 128.5358 61.3761 33.3853 174.7046 115 V 4.8142 8.4035 120.0482 58.8023 35.4629 176.1697 116 K 4.2244 9.0865 121.0385 58.1955 32.8447 177.7885 117 K 4.6803 8.5367 118.1086 53.5261 34.8217 175.3958 118 P 4.2661 0.0000 0.0000 65.7382 30.9910 178.5055 119 E 4.1257 8.1337 114.5082 58.7541 29.6735 178.2637 120 E 4.2301 8.3111 119.7471 58.4459 29.5647 178.7164 121 V 3.7751 7.7798 118.9654 66.3898 31.3204 177.5411 122 E 3.9463 8.3705 116.1920 60.1665 29.3307 178.6677 123 H 3.9763 8.1622 116.8918 57.9643 29.7273 175.5664 124 F 5.1957 8.0477 118.3730 56.5815 39.8424 176.2804 125 R 4.4132 7.9573 117.9028 55.9536 29.1942 177.0246 126 Q 4.4201 7.8649 116.2645 56.3358 30.2548 175.9768 127 G 4.2091 7.3897 104.7922 44.3486 0.0000 171.6593 128 R 4.0775 8.5069 119.8124 56.3425 31.1766 176.1658 129 I 4.6391 8.4481 127.8662 60.6899 36.8036 175.6222 130 L 4.4733 9.4475 129.1238 57.6395 42.3852 177.2824 131 A 4.7669 7.8025 117.5815 51.1748 22.8367 175.1915 132 V 4.8900 9.0041 119.3617 61.1118 34.9807 174.4988 133 V 5.0003 9.1110 127.8182 61.6349 33.5324 173.8099 134 C 5.2097 9.3862 127.2251 58.7205 34.8496 174.6345 135 D 4.5729 9.0272 124.6124 57.0448 40.9223 177.0852 136 E 4.3986 8.0594 116.9430 54.8197 30.6123 175.8362 137 R 2.0000 7.8834 120.6150 56.0220 30.1650 175.5109 138 V 4.0069 5.8082 124.4113 60.8827 33.4167 174.2407 139 D 4.6049 8.4636 127.0010 54.4340 42.0671 176.8789 140 G 3.9053 10.0546 110.6928 45.6488 0.0000 172.4380 141 H 4.8860 7.3452 114.3738 53.5982 33.1370 172.6833 142 K 4.1041 8.5682 122.6754 56.2762 33.1896 175.1992 143 W 5.4248 8.4294 135.0000 55.6877 33.0896 174.1013 144 F 4.6551 9.2050 125.6867 55.4777 42.0241 174.9324 145 R 5.3339 8.5023 121.5030 54.5057 31.0802 177.4388 146 R 3.9422 8.3686 123.1134 59.6870 30.1578 177.4872 147 D 4.6594 7.9459 113.8347 54.7583 41.6926 177.0837 148 E 4.3839 7.9786 121.7595 55.7343 27.1410 177.8653 149 V 3.5033 7.4370 121.2498 65.9330 32.0872 176.3818 150 E 3.8805 8.0527 118.5219 59.4109 29.5621 178.7993 151 R 3.9823 7.9466 117.5660 59.3673 30.1504 179.0137 152 I 2.9216 7.8084 119.4397 63.9814 36.9504 178.2306 153 A 3.9512 8.0889 121.7609 55.3387 18.2076 179.5739 154 E 3.9211 8.5073 117.2924 59.3036 29.5622 179.1572 155 F 4.3597 8.5496 121.0687 61.6317 39.3750 177.1731 156 I 3.3851 7.8395 119.2090 64.4208 36.6729 178.4348 157 L 3.9906 7.9913 118.8769 57.8793 41.4520 179.4666 158 S 4.2476 7.8846 114.4375 61.5326 62.8071 176.4081 159 L 3.9131 7.1803 120.3465 56.9267 41.3337 177.2137 160 L 4.2845 7.3707 122.4008 54.9623 42.8503 173.4179 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 3 L 8.04 4.29 0.00 1.76 1.60 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.27 4.77 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.83 0.00 0.00 5 L 9.67 4.76 0.00 1.66 1.42 0.99 0.92 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 6 S 8.78 5.22 0.00 3.87 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 7 I 8.85 4.80 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 1.22 0.83 0.88 0.00 0.00 8 V 9.86 4.58 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 0.74 0.00 0.00 0.78 0.00 0.00 9 G 7.79 3.09 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 0.00 0.00 0.00 10 T 7.74 4.44 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 1.45 0.00 0.00 11 S 8.55 4.03 0.00 3.89 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 *13 S 8.62 4.38 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 15 K 7.96 3.92 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 16 T 7.84 3.85 4.36 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 1.21 0.00 0.00 17 T 7.67 3.93 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 18 L 7.82 3.89 0.00 1.86 1.81 0.87 1.00 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 19 I 7.76 3.67 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 1.57 0.86 0.91 0.00 0.00 20 T 8.23 3.96 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 1.26 0.00 0.00 21 R 8.21 4.07 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 22 M 8.61 4.19 0.00 1.98 2.14 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 2.73 2.67 0.00 23 M 7.72 3.99 0.00 2.14 2.20 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 2.61 2.64 0.00 24 P 0.00 4.24 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 25 I 7.67 3.70 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 1.63 1.13 0.91 0.00 0.00 26 L 7.93 4.06 0.00 1.83 1.72 0.91 0.94 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 27 R 8.28 4.15 0.00 1.82 1.98 0.00 3.34 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 28 E 8.24 4.01 0.00 2.18 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 2.35 2.48 0.00 29 R 7.44 4.37 0.00 1.96 1.95 0.00 3.35 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 30 G 8.17 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 31 L 7.36 4.59 0.00 1.61 1.63 0.92 0.80 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 32 R 9.34 4.56 0.00 1.64 1.71 0.00 2.97 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 33 V 8.68 5.11 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 0.84 0.00 0.00 1.03 0.00 0.00 34 A 8.66 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.17 4.70 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 0.87 0.00 0.00 0.92 0.00 0.00 36 V 8.78 4.19 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 1.21 0.00 0.00 0.95 0.00 0.00 37 K 8.60 4.99 0.00 1.71 1.74 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.43 7.81 38 R 8.05 4.17 0.00 1.40 1.47 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 0.00 39 H 8.72 4.59 0.00 3.13 3.23 0.00 5.76 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 40 A 8.30 4.10 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 *52 D 8.64 4.72 0.00 2.91 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.20 4.33 0.00 4.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.29 4.16 0.00 3.42 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.52 3.65 0.00 2.13 1.88 0.00 1.87 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.92 7.81 56 I 7.35 3.61 2.07 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 1.42 0.74 0.93 0.00 0.00 57 Y 8.33 4.83 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.15 3.97 0.00 1.44 1.70 0.00 0.00 7.34 5.47 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 59 S 7.41 4.18 0.00 3.99 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 60 G 6.73 3.36 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 0.00 61 A 7.44 4.65 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 62 D 8.38 5.10 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.89 4.56 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 0.99 0.00 0.00 1.11 0.00 0.00 64 V 8.67 4.95 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 0.94 0.00 0.00 0.95 0.00 0.00 65 I 9.12 4.48 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 1.20 0.67 0.94 0.00 0.00 66 A 8.64 5.08 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 67 S 8.52 4.74 0.00 3.97 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 68 P 0.00 4.37 0.00 2.20 2.24 0.00 3.71 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 1.99 2.00 0.00 69 V 7.66 4.43 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 0.74 0.00 0.00 0.94 0.00 0.00 70 K 7.96 4.60 0.00 1.74 1.59 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 71 L 8.51 5.29 0.00 1.66 1.50 0.91 0.97 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 72 A 9.09 4.87 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 73 F 8.84 5.46 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.95 4.37 1.71 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 1.10 0.32 0.37 0.00 0.00 75 R 7.96 5.12 0.00 1.84 1.15 0.00 3.34 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.52 0.00 76 R 8.97 4.20 0.00 1.83 1.90 0.00 2.87 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 77 V 7.96 4.64 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 0.97 0.00 0.00 0.99 0.00 0.00 78 S 8.61 4.36 0.00 4.09 3.91 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 79 E 8.66 3.92 0.00 2.00 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 2.39 2.40 0.00 80 E 7.93 3.97 0.00 1.80 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 2.27 2.43 0.00 81 E 7.85 3.50 0.00 1.62 1.12 0.00 0.00 0.00 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 1.69 0.00 82 G 8.05 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 83 N 8.03 5.17 0.00 2.86 2.97 0.00 0.00 6.86 8.06 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 84 D 7.96 4.79 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.17 3.76 0.00 0.59 1.28 0.57 0.89 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 86 D 8.19 4.45 0.00 2.94 2.73 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 87 W 8.60 4.14 0.00 3.58 3.46 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 0.00 0.00 0.00 0.00 88 I 8.00 3.43 2.15 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.42 1.03 0.00 0.00 89 Y 8.09 3.89 0.00 3.12 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 90 E 8.24 3.96 0.00 2.16 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 2.39 2.41 0.00 91 R 7.61 3.47 0.00 0.67 0.68 0.00 2.70 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 Y 7.39 4.78 0.00 2.90 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.38 5.00 0.00 1.39 1.43 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.79 3.63 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 95 D 7.81 4.42 0.00 2.56 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 96 Y 7.65 4.23 0.00 3.18 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 97 D 8.67 4.63 0.00 2.80 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 98 L 7.95 4.88 0.00 1.73 1.49 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 V 9.11 4.90 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 1.02 0.00 0.00 1.11 0.00 0.00 100 I 8.64 5.04 1.87 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 1.27 0.58 0.91 0.00 0.00 101 T 8.94 4.82 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 1.18 0.00 0.00 102 E 9.39 4.61 0.00 2.05 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 2.23 2.24 0.00 103 G 8.81 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.76 3.79 0.00 3.30 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.35 4.25 0.00 4.05 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 0.00 106 K 8.19 4.11 0.00 1.96 1.99 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.61 7.81 107 A 8.26 4.08 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 0.00 108 G 8.26 4.61 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 0.00 109 K 7.37 4.22 0.00 1.69 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.49 7.81 110 D 8.82 4.81 0.00 2.60 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 0.00 111 R 9.46 5.25 0.00 1.91 2.02 0.00 3.10 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 112 I 8.64 4.78 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.95 0.00 0.00 113 V 8.48 4.36 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 0.72 0.00 0.00 0.95 0.00 0.00 114 V 8.76 4.77 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 0.91 0.00 0.00 0.89 0.00 0.00 115 V 8.40 4.81 2.41 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 0.92 0.00 0.00 0.99 0.00 0.00 116 K 9.09 4.22 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 117 K 8.54 4.68 0.00 1.81 1.67 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 118 P 0.00 4.27 0.00 2.08 1.99 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 119 E 8.13 4.13 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 120 E 8.31 4.23 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 121 V 7.78 3.78 2.22 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 1.08 0.00 0.00 0.98 0.00 0.00 122 E 8.37 3.95 0.00 2.14 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 2.34 2.48 0.00 123 H 8.16 3.98 0.00 2.92 2.41 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.05 5.20 0.00 3.09 3.06 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 0.00 0.00 0.00 125 R 7.96 4.41 0.00 1.81 1.95 0.00 3.44 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 126 Q 7.86 4.42 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 127 G 7.39 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 0.00 0.00 0.00 0.00 128 R 8.51 4.08 0.00 1.95 2.06 0.00 3.21 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 129 I 8.45 4.64 1.98 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 1.42 0.91 0.96 0.00 0.00 130 L 9.45 4.47 0.00 1.77 2.14 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.80 4.77 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 0.00 132 V 9.00 4.89 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 1.11 0.00 0.00 0.84 0.00 0.00 133 V 9.11 5.00 2.12 0.00 0.00 0.00 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 0.96 0.00 0.00 134 C 9.39 5.21 0.00 3.10 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 0.00 135 D 9.03 4.57 0.00 2.79 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 0.00 136 E 8.06 4.40 0.00 1.90 1.82 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 2.33 2.31 0.00 137 R 7.88 2.00 0.00 1.38 1.55 0.00 3.08 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.00 138 V 5.81 4.01 1.82 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 0.88 0.00 0.00 0.74 0.00 0.00 139 D 8.46 4.60 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 10.05 3.91 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 0.00 0.00 0.00 141 H 7.35 4.89 0.00 3.11 3.22 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.57 4.10 0.00 1.74 1.72 0.00 0.94 0.00 0.00 1.08 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 1.03 7.81 143 W 8.43 5.42 0.00 3.17 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 0.00 144 F 9.20 4.66 0.00 2.95 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 0.00 145 R 8.50 5.33 0.00 1.57 1.66 0.00 3.37 0.00 0.00 3.53 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.91 0.00 146 R 8.37 3.94 0.00 1.82 2.03 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 147 D 7.95 4.66 0.00 2.66 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 0.00 148 E 7.98 4.38 0.00 2.17 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 0.00 2.27 2.26 0.00 149 V 7.44 3.50 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 1.11 0.00 0.00 0.91 0.00 0.00 150 E 8.05 3.88 0.00 2.07 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 2.38 2.40 0.00 151 R 7.95 3.98 0.00 2.12 2.21 0.00 3.43 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 152 I 7.81 2.92 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.30 0.63 0.00 0.00 153 A 8.09 3.95 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 0.00 154 E 8.51 3.92 0.00 2.22 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 0.00 2.35 2.59 0.00 155 F 8.55 4.36 0.00 3.26 3.22 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 0.00 156 I 7.84 3.39 1.94 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 1.43 1.32 0.84 0.00 0.00 157 L 7.99 3.99 0.00 1.74 1.72 0.92 0.82 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 0.00 158 S 7.88 4.25 0.00 4.09 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 0.00 159 L 7.18 3.91 0.00 1.56 1.57 0.48 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.37 4.28 0.00 1.64 1.88 0.93 1.32 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 * Residues marked with a * may have inaccurate shift predictions.