NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 P 4.3880 0.0000 0.0000 62.0508 32.2005 175.8859 23 F 3.9940 8.8633 126.5367 56.3514 39.7083 172.5940 24 R 4.1075 8.0223 124.0068 53.9215 33.4791 174.0852 25 F 4.5785 7.8610 117.0219 56.9155 39.7627 176.0253 26 S 4.2435 8.6058 119.6515 58.4488 63.1057 173.9191 27 P 4.3819 0.0000 0.0000 64.3475 31.4852 175.9010 28 E 4.7983 7.2535 114.9951 54.5388 32.3303 173.4997 29 P 4.5044 0.0000 0.0000 62.8682 32.2619 176.8343 30 T 4.2258 8.7001 117.5225 62.8583 70.5323 176.0214 31 L 3.9660 8.3346 121.3718 58.0797 41.5515 179.2758 32 E 3.9110 8.2018 118.6294 59.5442 29.4504 178.4634 33 D 4.3468 7.9623 118.1362 57.5005 40.9328 178.7150 34 I 3.6467 7.7921 120.2170 64.3498 37.0664 178.3288 35 R 3.9345 8.4789 119.8996 59.6672 29.9591 178.7979 36 R 4.0008 8.1637 117.7924 58.8904 30.1261 178.8562 37 L 3.9811 8.2163 119.2493 58.1611 41.5852 179.0806 38 H 3.9582 8.6436 118.2577 59.0831 29.7805 177.0705 39 A 4.0557 8.2330 122.6925 55.0587 18.3344 179.1864 40 E 3.8230 8.1079 117.3853 59.3860 29.5661 178.4389 41 F 3.9621 7.9851 118.9685 61.5305 39.6545 176.7345 42 A 3.8427 8.2568 120.0831 55.0241 17.9511 179.2206 43 A 4.1906 8.3317 118.6524 55.1508 18.4628 178.7357 44 E 4.4208 7.7389 113.3638 57.6319 30.3295 176.8469 45 R 4.5779 8.0835 119.9357 55.7249 31.3872 178.0349 46 D 4.7224 8.6793 118.8113 53.7755 40.3179 176.4101 47 W 4.3883 8.5768 135.0000 60.1408 30.7702 176.7933 48 E 3.6838 8.4357 118.8759 58.9689 28.9205 178.2449 49 Q 3.7969 8.0639 119.1434 58.9687 29.1389 177.8295 50 F 4.5359 7.3815 116.3761 59.1828 39.3449 176.7432 51 H 4.2502 7.3207 116.5821 56.5930 29.8763 174.7374 52 Q 4.1575 7.0196 120.9170 54.4941 29.0632 174.7226 53 P 4.2094 0.0000 0.0000 65.8681 31.3651 178.9424 54 R 3.9063 7.8836 116.0566 58.7546 29.9613 178.6768 55 N 4.2122 7.9146 116.2073 56.3693 38.5582 177.1531 56 L 3.9068 7.7822 120.2654 57.5817 41.5971 179.4440 57 L 3.9008 8.1724 120.5797 58.1605 42.0769 178.9595 58 L 3.8906 8.2510 119.1547 57.6719 41.4711 179.4624 59 A 3.6825 7.7883 120.7812 54.7395 18.1241 179.3790 60 L 3.9008 7.8809 119.2155 58.2510 42.0962 179.2109 61 V 3.6534 8.0625 118.6179 66.1948 31.3834 178.2519 62 G 3.5675 8.4554 105.6443 47.7234 0.0000 175.2257 63 E 4.0317 8.1557 121.5958 58.9692 29.5999 179.0107 64 V 3.7448 8.1584 118.7706 65.7022 31.5833 178.1605 65 G 3.6471 8.3704 105.8431 48.0197 0.0000 175.5017 66 E 4.2065 8.4723 121.2690 58.8235 29.4257 179.1761 67 L 4.0732 8.1599 120.2447 58.3152 42.2208 178.9132 68 A 4.1118 8.3123 120.7937 55.3214 18.0086 179.4546 69 E 4.4251 7.8932 117.6967 58.9002 29.5342 178.9586 70 L 3.9240 7.6282 117.9300 57.6368 41.9902 178.9142 71 F 4.6284 7.8339 115.4625 57.9768 39.6389 177.8292 72 Q 3.6760 7.7189 117.5815 58.4576 28.0328 178.4018 73 W 4.9566 7.4361 114.3419 55.9135 29.6691 175.9039 74 K 4.3543 8.1438 119.5432 56.1876 31.0871 177.1543 75 S 4.2844 9.1685 121.3946 59.2632 63.2361 175.5500 76 D 4.8044 8.6888 122.2282 55.8165 40.9982 177.3349 77 T 4.2251 7.7671 115.8100 64.9222 69.2207 174.7906 78 E 4.3813 7.4058 117.5338 54.2321 31.1531 174.1527 79 P 4.2559 0.0000 0.0000 62.6841 31.5926 177.0098 80 G 3.9161 8.6249 112.2012 44.4806 0.0000 172.0214 81 P 2.0000 0.0000 0.0000 64.7922 31.1788 179.2563 82 Q 3.7853 7.7672 115.5687 58.1438 28.6958 176.7475 83 A 4.6009 7.7049 118.3874 51.3641 19.3806 177.0960 84 W 4.5169 7.5516 117.2387 56.2641 29.8073 175.0274 85 P 4.5712 0.0000 0.0000 61.7658 32.8428 175.6229 86 P 4.2682 0.0000 0.0000 66.1405 31.3418 179.0931 87 K 3.9343 8.1236 116.1419 59.2234 31.8028 178.9561 88 E 4.0880 8.0583 118.3313 58.9436 29.7165 178.8214 89 R 4.0326 8.3169 117.9347 59.1188 30.1465 178.8382 90 A 3.9854 8.3567 120.5279 55.3635 18.3909 179.6162 91 A 4.1538 7.9075 118.6672 55.1330 18.3055 179.6796 92 L 4.0091 8.2616 119.1967 58.4033 42.1641 179.1383 93 Q 3.9832 8.4582 118.3972 58.9559 28.6636 178.6641 94 E 3.9397 8.2685 119.4158 59.5697 29.5389 179.3650 95 E 4.0159 8.3977 118.5260 59.4114 29.6873 179.3378 96 L 4.0073 8.1857 119.1741 57.9633 41.6350 179.7502 97 S 4.0626 8.2114 115.0107 61.8617 62.7984 176.6574 98 D 4.1682 8.1975 121.4614 57.0626 40.5222 178.7169 99 V 3.6819 7.9963 119.0078 66.1919 31.3464 177.9485 100 L 3.9597 7.7140 119.3743 57.9875 41.8528 178.8387 101 I 3.4993 7.9107 120.1766 64.7500 36.9624 178.1467 102 Y 4.2720 7.8302 117.3534 60.6598 37.5992 178.2906 103 L 3.9740 8.0539 121.5722 58.2736 42.1959 179.4624 104 V 3.5809 8.0748 112.4550 64.2607 31.4559 178.2174 105 A 3.9316 8.1699 120.8832 55.1526 18.0747 179.5041 106 L 3.8517 8.3330 118.6563 58.2323 42.1646 178.7448 107 A 3.9788 8.6195 120.8602 55.2593 18.3008 179.4273 108 A 3.9190 8.7585 119.5980 55.4734 18.3093 179.6387 109 R 3.9589 8.2026 116.1625 59.8507 30.1526 177.5672 110 C 4.3598 8.1436 113.3470 59.1814 29.2656 172.9688 111 H 3.9933 8.0172 117.3962 57.0058 26.3832 175.0690 112 V 4.3088 7.9889 117.4726 61.2585 33.4981 176.1234 113 D 4.6229 8.3753 127.0182 52.5929 39.3853 175.8120 114 L 3.9351 8.1343 126.0481 57.3894 41.9278 176.2186 115 P 4.2622 0.0000 0.0000 65.8370 31.2953 178.6597 116 Q 4.0433 8.0478 116.0674 58.8641 28.7249 178.3374 117 A 4.0232 8.2604 121.9237 55.0094 18.1040 179.8910 118 V 3.5486 7.6340 116.3347 66.1831 31.6694 177.9936 119 I 3.8509 7.1391 117.4849 64.4608 37.1920 178.0285 120 S 4.2759 8.2469 114.0319 60.8344 62.1534 174.7651 121 K 4.5144 8.0661 121.8865 57.1553 32.8533 178.3125 *123 D 4.5700 8.0957 119.0061 54.2786 43.0964 178.2205 124 T 3.9883 7.6795 115.3098 66.7588 68.3700 176.4552 125 N 4.5465 8.5676 118.3146 56.0192 38.3092 177.6711 126 R 4.2387 7.5779 117.6184 58.7468 30.1513 178.1600 127 Q 4.2938 7.8946 116.1331 57.5330 29.3704 177.5551 128 R 4.0269 7.8350 119.4786 57.8097 30.9262 175.8620 129 Y 4.5788 7.9336 117.2370 54.6519 38.1558 173.8843 130 P 4.5596 0.0000 0.0000 62.8037 31.3962 176.5158 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 22 P 0.00 4.39 0.00 2.19 2.16 0.00 3.74 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 1.87 1.95 0.00 23 F 8.86 3.99 0.00 3.10 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 24 R 8.02 4.11 0.00 1.63 1.59 0.00 2.98 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.47 0.00 25 F 7.86 4.58 0.00 2.94 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 26 S 8.61 4.24 0.00 3.86 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 27 P 0.00 4.38 0.00 2.17 2.17 0.00 3.79 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 1.98 1.94 0.00 28 E 7.25 4.80 0.00 2.15 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 2.18 2.20 0.00 29 P 0.00 4.50 0.00 2.17 2.06 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 30 T 8.70 4.23 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 1.25 0.00 0.00 31 L 8.33 3.97 0.00 1.69 1.72 0.94 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 32 E 8.20 3.91 0.00 2.07 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 0.00 2.38 2.48 0.00 33 D 7.96 4.35 0.00 2.92 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 34 I 7.79 3.65 1.99 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 1.35 0.79 0.83 0.00 0.00 35 R 8.48 3.93 0.00 1.92 2.08 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 36 R 8.16 4.00 0.00 2.08 1.96 0.00 3.45 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 37 L 8.22 3.98 0.00 1.75 1.68 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.64 3.96 0.00 3.10 3.28 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.23 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.11 3.82 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 41 F 7.99 3.96 0.00 3.02 3.02 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 42 A 8.26 3.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.33 4.19 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 44 E 7.74 4.42 0.00 1.89 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 2.50 2.51 0.00 45 R 8.08 4.58 0.00 1.77 1.75 0.00 2.21 0.00 0.00 2.43 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 46 D 8.68 4.72 0.00 2.73 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 47 W 8.58 4.39 0.00 3.65 3.30 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 0.00 48 E 8.44 3.68 0.00 2.32 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 2.42 2.40 0.00 49 Q 8.06 3.80 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 50 F 7.38 4.54 0.00 3.13 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 51 H 7.32 4.25 0.00 1.71 3.08 0.00 5.94 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 52 Q 7.02 4.16 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.54 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 53 P 0.00 4.21 0.00 2.11 2.07 0.00 3.52 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 2.06 2.10 0.00 54 R 7.88 3.91 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 55 N 7.91 4.21 0.00 2.94 2.73 0.00 0.00 7.18 6.74 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 56 L 7.78 3.91 0.00 1.84 1.78 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.17 3.90 0.00 1.71 1.82 0.90 0.86 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 58 L 8.25 3.89 0.00 1.78 1.62 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.79 3.68 0.30 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 0.00 0.00 0.00 60 L 7.88 3.90 0.00 1.84 1.90 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.06 3.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 62 G 8.46 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 0.00 0.00 0.00 63 E 8.16 4.03 0.00 2.45 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 2.41 2.44 0.00 64 V 8.16 3.74 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 1.03 0.00 0.00 1.01 0.00 0.00 65 G 8.37 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 66 E 8.47 4.21 0.00 2.23 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 2.35 2.47 0.00 67 L 8.16 4.07 0.00 2.04 2.00 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.31 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.89 4.43 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 70 L 7.63 3.92 0.00 1.94 1.62 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.83 4.63 0.00 3.24 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 72 Q 7.72 3.68 0.00 1.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.73 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 73 W 7.44 4.96 0.00 3.28 3.13 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 0.00 0.00 0.00 74 K 8.14 4.35 0.00 2.13 2.03 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.60 1.77 7.81 75 S 9.17 4.28 0.00 4.08 3.86 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 76 D 8.69 4.80 0.00 2.71 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 77 T 7.77 4.23 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 1.24 0.00 0.00 78 E 7.41 4.38 0.00 2.18 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 2.65 2.40 0.00 79 P 0.00 4.26 0.00 2.21 2.14 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 80 G 8.62 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 0.00 0.00 0.00 81 P 0.00 2.00 0.00 1.64 0.82 0.00 3.42 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 82 Q 7.77 3.79 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 83 A 7.70 4.60 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 84 W 7.55 4.52 0.00 3.30 3.02 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 85 P 0.00 4.57 0.00 2.26 2.20 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 86 P 0.00 4.27 0.00 2.19 2.18 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 87 K 8.12 3.93 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 88 E 8.06 4.09 0.00 2.15 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 2.09 2.25 0.00 89 R 8.32 4.03 0.00 1.92 2.02 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 90 A 8.36 3.99 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 91 A 7.91 4.15 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 92 L 8.26 4.01 0.00 2.12 2.02 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.46 3.98 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 94 E 8.27 3.94 0.00 2.21 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 2.33 2.57 0.00 95 E 8.40 4.02 0.00 2.05 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 2.59 2.56 0.00 96 L 8.19 4.01 0.00 1.81 1.71 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.21 4.06 0.00 3.98 3.83 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 98 D 8.20 4.17 0.00 2.73 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 99 V 8.00 3.68 2.26 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 1.02 0.00 0.00 1.07 0.00 0.00 100 L 7.71 3.96 0.00 1.79 1.75 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.91 3.50 1.54 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.39 0.00 0.00 102 Y 7.83 4.27 0.00 3.16 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 0.00 103 L 8.05 3.97 0.00 1.87 1.87 0.94 1.04 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 0.00 104 V 8.07 3.58 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 0.92 0.00 0.00 105 A 8.17 3.93 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 0.00 106 L 8.33 3.85 0.00 1.87 1.88 0.96 1.07 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 0.00 107 A 8.62 3.98 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 0.00 108 A 8.76 3.92 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 0.00 109 R 8.20 3.96 0.00 1.84 2.16 0.00 3.31 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 110 C 8.14 4.36 0.00 3.13 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 0.00 111 H 8.02 3.99 0.00 3.27 3.34 0.00 5.63 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.99 4.31 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 0.77 0.00 0.00 0.95 0.00 0.00 113 D 8.38 4.62 0.00 2.84 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 0.00 114 L 8.13 3.94 0.00 1.80 1.67 0.93 0.97 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 0.00 115 P 0.00 4.26 0.00 2.20 2.10 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 116 Q 8.05 4.04 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 117 A 8.26 4.02 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 0.00 118 V 7.63 3.55 2.33 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 0.88 0.00 0.00 1.00 0.00 0.00 119 I 7.14 3.85 2.01 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 1.41 0.53 0.96 0.00 0.00 120 S 8.25 4.28 0.00 3.99 4.04 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 0.00 121 K 8.07 4.51 0.00 1.97 1.80 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.54 7.81 *123 D 8.10 4.57 0.00 2.93 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 0.00 124 T 7.68 3.99 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 1.20 0.00 0.00 125 N 8.57 4.55 0.00 2.80 3.04 0.00 0.00 7.02 8.12 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 0.00 126 R 7.58 4.24 0.00 2.01 2.02 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 127 Q 7.89 4.29 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 128 R 7.83 4.03 0.00 1.67 1.93 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 129 Y 7.93 4.58 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.56 0.00 2.05 1.99 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.