NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3446 8.3144 122.1418 54.3650 32.4024 174.2488 8 V 4.3282 8.0589 124.2922 59.2386 34.5464 172.5230 9 L 4.6632 9.3662 131.1359 53.4296 43.9693 174.8263 10 K 4.5225 8.7531 126.6233 55.2670 33.8137 175.6450 11 I 4.9568 8.4089 125.5659 59.4911 39.8081 174.5527 12 Q 4.6067 9.0814 128.2421 54.2877 31.4538 174.0368 13 L 4.6951 8.4717 126.4103 53.7107 42.2013 176.6769 14 R 4.3845 9.1846 124.2990 57.4994 30.7058 176.3579 15 S 4.5048 7.6734 112.2140 56.8839 65.7440 174.7307 16 A 4.0738 8.4014 122.5669 54.7360 18.1318 178.9688 17 S 4.2362 7.5818 110.0647 60.3290 63.1987 174.7951 18 A 4.4083 7.4013 123.0588 51.9707 18.8207 176.7147 19 T 4.4390 8.0741 117.0394 61.0222 70.9784 174.6889 20 V 3.6416 8.3461 125.7942 62.5837 31.9703 173.7709 21 P 5.4488 0.0000 0.0000 62.8696 32.0535 175.5747 22 T 4.8240 8.8591 111.9721 59.9474 72.1197 172.6102 23 K 4.5226 8.4259 124.2577 54.3856 35.6439 174.5468 *25 S 4.1988 8.4434 114.8540 57.6818 63.8478 173.7915 26 A 4.0811 8.5412 123.9424 54.7904 18.3671 178.5482 27 T 4.4903 7.1075 104.2155 61.4271 69.3380 174.3512 28 A 4.6371 7.5596 123.2294 51.2688 21.3605 177.7471 29 A 4.0980 8.6084 124.1900 54.5046 18.7761 178.1271 30 G 4.3282 7.4590 99.8705 44.7371 0.0000 171.6523 31 Y 4.7577 8.9574 118.9421 56.0834 40.2108 175.2643 32 D 4.6440 9.4509 125.0462 54.5066 42.3259 175.2893 33 I 4.9029 8.4261 123.5477 59.7050 40.0958 174.1469 34 Y 5.2429 8.6431 123.0543 55.7788 40.8990 175.5454 35 A 4.5657 9.3860 126.1539 52.4241 19.3662 177.9591 36 S 4.9816 8.9433 113.9227 58.3205 64.7506 173.9726 37 Q 4.6163 7.8644 120.4288 54.0671 32.1797 173.9899 38 D 4.7139 8.7048 124.6237 55.2765 41.6057 175.6292 39 I 4.5189 8.6871 121.1493 60.2630 42.1445 172.9987 40 T 4.9545 8.3717 123.7769 61.9047 70.6503 173.8936 41 I 4.2642 9.0421 128.2260 59.7514 38.6009 173.9147 42 P 4.9335 0.0000 0.0000 61.7997 32.7189 176.0519 43 A 4.1626 8.8718 126.1572 54.3554 18.6586 177.3686 44 M 3.5539 8.1205 119.7463 55.0545 31.0696 177.2706 45 G 4.2807 7.8253 107.4634 45.7559 0.0000 171.8505 46 Q 5.1522 8.7769 122.1517 55.7061 32.2929 174.5125 47 G 4.2119 8.8749 109.2914 45.7714 0.0000 171.6770 48 M 5.0555 8.4582 119.9317 53.3559 34.1154 175.8168 49 V 4.1057 8.9631 125.0577 61.7405 33.1705 175.5573 50 S 4.7963 8.8052 124.4339 59.0288 63.4446 174.9833 51 T 4.4923 8.7622 111.8332 60.8146 70.8836 173.7128 52 D 4.4468 8.7096 121.4892 55.2009 39.3748 172.7085 53 I 5.1325 7.4242 109.8735 59.3014 41.2501 174.3858 54 S 5.0016 8.7401 118.3931 56.8616 66.8903 173.0601 55 F 5.4838 7.8752 115.7708 55.8848 41.5807 173.7003 56 T 4.7262 8.8565 116.0106 61.7859 70.8633 174.6245 57 V 4.1404 8.6823 119.8739 60.3085 32.3289 174.6085 58 P 4.4602 0.0000 0.0000 62.1936 32.6473 176.1980 59 V 3.5341 8.3444 121.0847 65.1814 31.7985 176.3750 60 G 4.0057 9.7395 113.9784 45.5377 0.0000 172.2040 61 T 5.9101 7.7323 106.9281 59.2855 72.3604 172.1049 62 Y 4.8854 8.6105 119.5490 55.1944 42.2039 174.2741 63 G 4.0470 9.2054 107.2918 44.7541 0.0000 172.9886 64 R 4.9223 8.6994 128.5004 55.1937 31.4331 175.5444 65 I 4.6323 8.7472 128.8595 61.0472 37.2719 175.3157 66 A 4.9675 9.4531 130.4364 49.0765 22.1670 173.7644 67 P 4.6568 0.0000 0.0000 62.4792 32.7008 176.5021 68 R 4.1595 8.4228 121.1163 56.1024 31.1833 178.0149 69 S 4.2021 8.8136 118.9434 61.6191 62.8926 177.0616 70 G 3.6481 8.0430 107.9666 47.9023 0.0000 175.4588 71 L 3.9617 7.8138 120.3903 56.8622 41.8399 178.7571 72 A 4.2915 7.7849 122.3466 54.6203 18.0666 179.8863 73 V 3.4649 7.6205 114.8489 66.2352 31.8458 178.2493 74 K 4.2427 8.1840 116.7365 58.3558 32.0776 177.4535 75 N 4.8283 7.5002 112.1587 51.6668 40.9059 174.5117 76 G 3.8777 8.0650 106.6251 46.4709 0.0000 172.9752 77 I 4.5821 7.3514 120.2644 59.9592 38.9125 174.7075 78 Q 4.8300 9.0463 128.0711 54.0673 32.4046 174.4412 79 T 4.3577 8.7787 116.6493 61.9912 69.6882 174.2584 80 G 3.9812 8.5873 113.0532 44.2926 0.0000 176.4038 81 A 3.6073 9.9725 124.2935 51.7328 18.5771 178.3698 82 G 3.9133 9.3754 112.4038 46.8844 0.0000 172.7519 83 V 4.4959 7.3144 119.7794 61.5748 31.5207 174.6839 84 V 4.0896 9.0386 128.8792 61.3876 32.4811 174.9849 85 D 4.8755 8.6218 128.2943 54.0280 41.5957 177.7816 86 R 3.9977 8.9103 121.7790 59.4497 30.1942 177.0918 87 D 4.6299 8.0186 114.2646 53.5460 39.9986 175.4109 88 Y 4.3161 7.8752 123.1302 57.9000 38.9564 175.0174 89 T 4.1598 7.6631 115.6184 60.9656 70.3239 174.0994 90 G 3.3955 5.7800 110.9588 44.4785 0.0000 172.6246 91 E 4.0216 8.3328 120.2169 56.3472 29.8711 176.9065 92 V 4.1551 8.1279 127.0583 61.8372 30.6528 175.2805 93 K 4.4768 8.4120 125.6373 55.7625 33.6056 176.3887 94 V 4.2270 8.6841 123.9180 61.1327 33.4858 174.9261 95 V 4.0992 8.2866 129.0150 62.6357 32.6444 174.3878 96 L 5.0756 8.7711 128.3000 52.9140 44.7152 175.3159 97 F 5.1852 9.2524 122.3340 55.8503 41.5003 174.2727 98 N 5.0758 9.1776 122.9331 52.4075 40.1909 174.0477 99 H 5.0115 9.4108 123.9934 56.0515 29.8348 175.6721 100 S 4.7088 8.3915 115.2430 57.0732 65.1976 175.0043 101 Q 4.2498 8.7372 117.4601 57.1504 28.9303 176.2086 102 R 4.7012 7.3400 117.5629 53.9748 31.7867 175.9984 103 D 4.6619 8.8933 123.1563 55.2163 41.9517 175.9718 104 F 4.9479 9.4887 124.4810 56.4236 41.5736 173.9342 105 A 4.4551 8.2016 128.6554 51.1292 19.7336 176.1328 106 I 4.3150 8.6570 123.7546 59.2916 40.3679 174.9521 107 K 4.9730 10.0582 126.9594 54.0146 34.6507 175.9602 108 K 3.9749 9.0693 124.6626 58.5754 32.3811 177.2501 109 G 4.0793 9.2864 114.1701 45.3575 0.0000 173.4365 110 D 4.6555 8.3065 121.1279 54.1293 42.0981 176.0029 111 R 4.3051 8.5773 122.2857 56.4792 30.1210 176.7221 112 V 4.5593 8.8237 115.5640 60.9200 34.3463 174.7372 113 A 4.5713 7.3862 120.7835 51.3628 22.6994 174.5594 114 Q 5.0012 8.8735 116.1124 54.5218 32.3523 174.2517 115 L 4.9473 8.9487 124.1838 53.9656 43.9022 174.9457 116 I 4.6413 8.8350 127.5703 59.6684 39.8628 175.2902 117 L 4.6353 8.4677 127.4807 53.6210 40.9323 174.3388 118 E 4.1272 8.2011 122.7859 55.3994 30.5858 176.2501 119 K 4.8521 8.6968 125.2889 56.4910 32.8071 176.3754 120 I 4.7801 8.5845 117.2340 59.1846 41.4551 174.9520 121 V 4.0540 8.4177 122.6960 61.9783 31.2437 175.0432 122 D 4.9178 8.7141 126.3189 53.1259 40.5298 176.1994 123 D 4.9222 7.8435 119.2851 52.8826 39.9388 176.0640 124 A 4.1807 7.9688 121.6377 52.9361 19.2691 177.3762 125 Q 4.4337 8.3190 121.6438 54.3819 30.1734 175.3999 126 I 4.0019 8.2702 126.8115 60.8650 37.8397 175.4003 127 V 4.3195 8.2117 124.4863 60.8427 33.9313 174.4516 128 V 4.1882 8.3674 126.7108 61.5108 32.3668 175.2071 129 V 4.5896 8.0217 119.5141 59.5834 34.8917 175.5163 130 D 4.5478 8.5889 121.3495 56.4192 41.2406 177.0884 131 S 4.5839 7.5487 112.1626 56.5373 65.4895 173.3984 132 L 4.2056 8.5256 125.8885 55.1337 41.4747 176.7152 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 7 K 8.31 4.34 0.00 1.79 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 8.06 4.33 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 0.90 0.00 0.00 0.93 0.00 0.00 9 L 9.37 4.66 0.00 1.43 1.34 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.75 4.52 0.00 1.80 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.41 7.81 11 I 8.41 4.96 1.90 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 1.22 0.87 0.98 0.00 0.00 12 Q 9.08 4.61 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 13 L 8.47 4.70 0.00 1.56 1.60 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.18 4.38 0.00 1.71 1.96 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 15 S 7.67 4.50 0.00 3.94 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 16 A 8.40 4.07 1.29 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 0.00 0.00 17 S 7.58 4.24 0.00 3.91 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 18 A 7.40 4.41 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 19 T 8.07 4.44 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 0.30 0.00 0.00 20 V 8.35 3.64 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 0.83 0.00 0.00 0.93 0.00 0.00 21 P 0.00 5.45 0.00 2.05 2.20 0.00 3.79 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 22 T 8.86 4.82 4.34 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 0.00 0.00 0.00 1.32 0.00 0.00 23 K 8.43 4.52 0.00 1.06 1.45 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.14 1.07 7.81 *25 S 8.44 4.20 0.00 4.01 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 26 A 8.54 4.08 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 27 T 7.11 4.49 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 1.19 0.00 0.00 28 A 7.56 4.64 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 29 A 8.61 4.10 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 30 G 7.46 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 0.00 0.00 0.00 0.00 31 Y 8.96 4.76 0.00 2.85 2.89 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 32 D 9.45 4.64 0.00 2.42 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.43 4.90 1.89 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 1.35 0.87 1.02 0.00 0.00 34 Y 8.64 5.24 0.00 2.79 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 35 A 9.39 4.57 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 36 S 8.94 4.98 0.00 3.87 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 37 Q 7.86 4.62 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 38 D 8.70 4.71 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.69 4.52 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 1.23 1.17 0.91 0.00 0.00 40 T 8.37 4.95 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 41 I 9.04 4.26 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 1.41 1.01 1.00 0.00 0.00 42 P 0.00 4.93 0.00 2.11 1.99 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 43 A 8.87 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 44 M 8.12 3.55 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 45 G 7.83 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 0.00 0.00 0.00 0.00 46 Q 8.78 5.15 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 47 G 8.87 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 48 M 8.46 5.06 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 49 V 8.96 4.11 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 1.01 0.00 0.00 0.96 0.00 0.00 50 S 8.81 4.80 0.00 3.84 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 51 T 8.76 4.49 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 1.32 0.00 0.00 52 D 8.71 4.45 0.00 2.84 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 53 I 7.42 5.13 1.98 0.00 0.00 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 1.34 0.92 1.03 0.00 0.00 54 S 8.74 5.00 0.00 3.80 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 5.48 0.00 2.97 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 56 T 8.86 4.73 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 1.31 0.00 0.00 57 V 8.68 4.14 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 0.70 0.00 0.00 1.10 0.00 0.00 58 P 0.00 4.46 0.00 2.06 1.97 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 59 V 8.34 3.53 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.74 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 61 T 7.73 5.91 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 1.21 0.00 0.00 62 Y 8.61 4.89 0.00 3.23 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 63 G 9.21 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 64 R 8.70 4.92 0.00 1.52 1.68 0.00 3.20 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 65 I 8.75 4.63 1.93 0.00 0.00 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 1.29 1.02 0.95 0.00 0.00 66 A 9.45 4.97 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 67 P 0.00 4.66 0.00 2.08 2.06 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 68 R 8.42 4.16 0.00 1.86 1.85 0.00 3.05 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 69 S 8.81 4.20 0.00 3.84 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 70 G 8.04 3.65 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 0.00 0.00 0.00 71 L 7.81 3.96 0.00 1.57 1.43 1.02 1.17 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 72 A 7.78 4.29 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 73 V 7.62 3.46 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 0.86 0.00 0.00 0.96 0.00 0.00 74 K 8.18 4.24 0.00 1.79 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 75 N 7.50 4.83 0.00 2.29 2.38 0.00 0.00 6.98 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 76 G 8.07 3.88 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 0.00 0.00 0.00 77 I 7.35 4.58 1.69 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 0.79 0.44 0.78 0.00 0.00 78 Q 9.05 4.83 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 79 T 8.78 4.36 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 1.21 0.00 0.00 80 G 8.59 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 81 A 9.97 3.61 0.98 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 82 G 9.38 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 83 V 7.31 4.50 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 0.49 0.00 0.00 0.91 0.00 0.00 84 V 9.04 4.09 2.50 0.00 0.00 0.00 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 1.03 0.00 0.00 85 D 8.62 4.88 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 86 R 8.91 4.00 0.00 1.86 2.03 0.00 3.42 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 87 D 8.02 4.63 0.00 2.85 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 88 Y 7.88 4.32 0.00 2.89 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 89 T 7.66 4.16 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 1.12 0.00 0.00 90 G 5.78 3.40 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 0.00 91 E 8.33 4.02 0.00 1.92 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 2.30 0.00 92 V 8.13 4.16 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 0.87 0.00 0.00 0.42 0.00 0.00 93 K 8.41 4.48 0.00 1.69 1.72 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 94 V 8.68 4.23 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 0.93 0.00 0.00 0.98 0.00 0.00 95 V 8.29 4.10 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 0.39 0.00 0.00 0.83 0.00 0.00 96 L 8.77 5.08 0.00 1.56 1.48 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.25 5.19 0.00 2.91 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 98 N 9.18 5.08 0.00 2.77 2.92 0.00 0.00 6.85 8.71 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 99 H 9.41 5.01 0.00 3.15 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.39 4.71 0.00 3.92 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 0.00 101 Q 8.74 4.25 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 102 R 7.34 4.70 0.00 1.72 1.89 0.00 3.38 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 103 D 8.89 4.66 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.49 4.95 0.00 2.95 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 0.00 105 A 8.20 4.46 1.08 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 0.00 106 I 8.66 4.31 1.94 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 1.15 0.31 0.90 0.00 0.00 107 K 10.06 4.97 0.00 1.75 1.68 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.47 7.81 108 K 9.07 3.97 0.00 1.66 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 109 G 9.29 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 0.00 110 D 8.31 4.66 0.00 2.71 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 0.00 111 R 8.58 4.31 0.00 1.59 1.67 0.00 2.95 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.22 0.00 112 V 8.82 4.56 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 0.79 0.00 0.00 1.01 0.00 0.00 113 A 7.39 4.57 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 0.00 114 Q 8.87 5.00 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 115 L 8.95 4.95 0.00 1.69 1.67 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.83 4.64 1.79 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 0.65 0.86 0.00 0.00 117 L 8.47 4.64 0.00 1.50 1.56 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.20 4.13 0.00 1.16 1.80 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 2.14 1.92 0.00 119 K 8.70 4.85 0.00 1.66 1.77 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 120 I 8.58 4.78 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 1.21 0.00 0.00 121 V 8.42 4.05 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 0.91 0.00 0.00 0.95 0.00 0.00 122 D 8.71 4.92 0.00 2.82 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 0.00 123 D 7.84 4.92 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 0.00 124 A 7.97 4.18 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 0.00 125 Q 8.32 4.43 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 126 I 8.27 4.00 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 1.30 0.65 0.91 0.00 0.00 127 V 8.21 4.32 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.37 4.19 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 0.87 0.00 0.00 0.93 0.00 0.00 129 V 8.02 4.59 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 0.81 0.00 0.00 0.95 0.00 0.00 130 D 8.59 4.55 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.55 4.58 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.53 4.21 0.00 1.68 1.56 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.