NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3005 8.2649 123.5824 51.8888 19.9381 176.0906 3 N 4.5643 8.4686 118.6000 51.9618 39.4703 170.9917 4 V 3.8362 8.6005 116.5552 64.1536 33.0347 175.5415 5 Y 4.8417 7.4399 117.8306 56.6989 41.4098 173.3701 6 T 4.1554 7.7143 122.0106 61.4808 71.5834 173.3076 7 A 4.5396 7.9409 128.4626 50.4087 21.5417 175.2420 8 E 4.8215 8.2338 119.1780 54.6177 33.3860 174.0032 9 A 5.1342 8.5099 126.1497 50.8216 22.8850 175.2611 10 T 4.6718 9.0367 117.0350 61.6207 71.7819 173.0571 11 A 5.3344 8.7156 127.3611 50.3779 21.6021 175.5634 12 T 4.5115 8.7268 111.3152 60.2032 71.5939 174.1851 13 G 3.8702 8.5002 110.0887 45.0060 0.0000 172.3373 14 G 3.9104 8.8004 107.7976 45.0290 0.0000 173.7175 15 R 4.1626 8.2815 115.0212 57.8973 29.7934 172.1574 16 A 4.6367 7.7839 118.5827 52.6950 19.5632 177.5076 17 G 4.0588 7.9155 106.7847 47.9621 0.0000 173.6459 18 T 5.3015 8.7339 110.3878 60.0243 73.0560 172.5444 19 T 5.0665 8.8348 116.3572 60.5227 71.1205 172.7434 20 R 5.0692 8.6832 128.4766 55.0399 33.8724 174.5632 21 S 4.9901 9.3519 122.2670 57.9309 64.1838 175.6420 22 S 4.2289 8.9657 116.1421 60.5146 62.8975 174.7526 23 D 4.6598 8.0437 118.6468 52.4434 39.5161 176.3191 24 D 4.4583 8.1060 117.6258 55.1906 39.3433 174.8278 25 R 4.0537 8.4871 119.5895 58.3624 30.4423 176.8734 26 L 4.7330 8.2600 118.2198 52.9386 44.4149 175.9691 27 N 4.9773 8.7430 122.3300 52.2550 40.1788 172.7017 28 L 4.9518 9.1078 124.4229 52.5570 46.2172 175.6228 29 D 5.1434 8.5924 121.0411 53.6167 43.1461 175.0934 30 L 5.3024 8.4976 120.4856 53.2081 44.0929 176.4323 31 S 4.7458 8.7008 119.1132 56.3928 66.7605 174.0988 32 V 3.7959 8.3274 124.0138 61.9165 32.6134 173.7910 33 P 4.5443 0.0000 0.0000 62.4557 32.0228 176.9288 34 A 4.4427 8.6790 124.2553 54.9710 18.2567 180.4818 35 E 4.0037 8.1235 113.5734 56.6996 28.8169 178.0035 *37 G 3.7955 8.2164 105.3276 45.0230 0.0000 173.6786 38 G 4.0113 7.7666 110.2905 43.5088 0.0000 174.7829 39 D 4.4277 8.5958 117.7928 53.7588 39.5042 176.5341 40 G 3.9214 8.0097 108.2349 46.4900 0.0000 174.4186 41 G 3.9070 7.9676 109.3860 43.8664 0.0000 172.9494 42 P 4.1712 0.0000 0.0000 64.3332 31.7028 176.8952 43 G 3.7746 7.1888 106.4537 46.8219 0.0000 173.7543 44 T 4.7276 8.3882 116.2289 61.3519 70.4254 172.6112 45 N 5.1340 8.3523 116.8123 50.2642 40.5875 173.7914 46 P 4.2864 0.0000 0.0000 65.8888 31.2092 178.8685 47 E 4.1406 8.2186 116.9833 59.2696 29.5122 178.8924 48 Q 4.0255 8.6821 119.8767 58.9954 29.1469 178.0685 49 L 4.0847 8.2212 120.2789 57.6385 41.5805 179.2398 50 F 4.3867 8.6061 120.5047 61.2520 39.3816 177.0118 51 A 3.9542 8.4995 120.4139 55.2644 18.2021 179.5411 52 A 4.0624 8.2921 119.4187 55.1070 18.3809 180.1869 53 G 3.7336 8.1753 105.7644 47.4439 0.0000 175.5045 54 Y 3.1590 7.8607 121.8531 59.9364 38.8829 177.6148 55 A 3.9020 7.9157 121.5509 55.1384 18.5178 179.4678 56 A 3.9094 7.8568 119.2383 55.4335 18.3888 179.3837 57 C 3.9915 8.2251 117.6070 62.6641 31.4617 175.8728 58 F 4.0242 8.6215 119.6023 60.5154 38.3862 177.6651 59 Q 4.1372 8.2463 117.6425 58.8960 28.6468 179.0042 60 G 3.6217 8.2009 106.4763 47.9214 0.0000 175.6201 61 A 3.9988 8.1302 123.3756 54.6360 18.2867 179.7112 62 L 3.9963 8.2873 118.1759 57.8186 41.6710 179.9378 63 G 3.5807 7.9447 105.4850 47.6091 0.0000 175.8788 64 V 3.5462 7.6206 120.4095 65.8593 31.6179 178.1578 65 V 3.5210 7.8979 118.0643 66.1426 31.3896 177.9400 66 S 4.1680 8.1220 112.7802 61.4232 61.8136 176.4269 67 R 3.9479 8.0524 120.8037 59.1770 29.6082 179.2866 68 R 3.7957 8.0284 116.9671 59.0486 30.2749 178.0981 69 N 4.6232 8.0557 112.3889 51.8003 39.8390 174.9736 70 K 3.8918 7.4086 119.3367 57.7594 30.2623 174.8260 71 I 4.5644 7.5149 109.3235 58.9952 40.5459 174.9283 72 D 4.6562 8.5340 122.2861 53.0363 41.8200 176.0186 73 V 4.2567 8.1668 124.0968 60.1521 33.0382 173.4599 74 P 4.2392 0.0000 0.0000 63.0983 31.6788 177.3578 75 A 4.0764 8.6749 125.0799 54.5992 18.5713 177.7706 76 D 4.8282 7.8687 113.7261 53.2986 39.5242 176.6575 77 S 4.5011 7.8548 116.3952 59.3819 63.9533 173.4187 78 T 4.6723 8.4004 112.5675 59.8940 72.3932 172.6107 79 I 4.8029 8.1895 122.4830 59.8429 40.4280 174.8331 80 T 4.5357 8.8284 123.4971 61.6289 71.0356 172.8433 81 A 4.9059 8.5154 128.2897 50.2116 21.0870 175.8050 82 R 4.5472 9.0526 122.1118 54.2490 32.9607 175.2033 83 V 4.8049 8.6018 123.9099 61.1833 33.8282 174.5877 84 G 4.1579 9.0732 116.3111 44.7447 0.0000 171.5599 85 L 5.0853 8.5000 126.2894 53.8286 43.4562 175.4806 86 Q 4.8405 9.4406 127.7511 54.5750 32.3473 175.4752 87 K 4.3616 8.4606 123.6901 52.4970 34.1326 174.9188 *92 F 4.8338 8.5114 122.1736 56.4351 40.2068 174.2639 93 A 4.8424 8.7299 125.3178 50.4690 22.9302 174.7022 94 L 5.1543 8.4518 118.7340 53.2729 44.1741 175.6435 95 D 5.0168 9.0109 120.9352 52.5278 44.8142 174.5482 96 V 4.9483 8.6431 124.1607 61.0805 35.4252 173.5442 97 E 5.0712 9.2427 128.0155 54.3134 32.6919 174.0742 98 L 4.9022 8.5588 126.7477 52.7402 44.6004 174.9657 99 E 4.9401 9.1567 124.9728 54.4043 32.4905 174.4542 100 G 4.1646 8.9446 114.6929 44.7261 0.0000 171.3836 101 H 5.0639 8.4563 123.3108 54.1895 32.6928 172.6010 102 F 5.2645 8.4304 124.0223 53.1439 40.3534 171.3766 103 P 4.2712 0.0000 0.0000 64.1316 31.6196 177.1414 104 G 3.9916 9.1143 111.9846 45.0890 0.0000 173.2519 105 L 4.5837 7.3471 119.2929 53.5975 43.0675 177.2878 106 S 4.4553 8.8137 116.5003 57.9076 65.2912 175.3000 107 R 3.8952 8.5714 122.3452 59.8627 29.6720 178.6527 108 E 3.9898 8.0786 117.8472 59.3505 29.5889 179.1356 109 Q 3.8706 7.9804 117.4768 58.8543 28.5811 178.5373 110 A 3.3967 7.8112 120.5515 55.1613 18.4927 179.2601 111 E 4.2041 8.1135 116.0747 59.4432 29.8104 179.4876 112 G 3.8004 8.0711 105.8681 47.5464 0.0000 175.8986 113 L 3.8585 7.6172 118.3504 55.5820 41.3197 178.6641 *115 H 4.6686 8.1973 118.5218 55.9388 30.8242 175.7169 116 A 3.9912 8.1613 120.8732 55.0581 18.0381 179.5536 117 A 3.6843 8.0636 119.4062 55.4186 18.1187 179.3714 118 H 4.2194 7.5474 115.1182 59.1695 30.0002 176.8959 119 E 4.1718 7.8449 119.4446 58.0439 29.4259 178.3533 120 V 4.0256 7.2960 116.9723 63.6637 32.8252 175.7808 121 C 4.0217 7.7513 120.0639 59.1457 31.7934 172.6412 122 P 4.3913 0.0000 0.0000 65.9891 30.7790 178.1836 123 Y 3.8665 8.1777 116.4951 60.9891 37.4590 178.4084 124 S 4.4520 8.3770 115.7670 61.0316 63.0542 176.0965 125 A 4.1420 7.9790 122.7711 55.2236 17.9469 179.5495 126 A 4.0005 8.2467 118.6160 54.5266 18.7351 178.9080 127 T 4.4500 7.6469 105.4929 60.3871 69.3948 174.2878 128 R 4.0901 7.1151 122.1411 58.3753 30.3833 176.8414 129 N 4.5143 8.9824 119.9624 53.8572 37.1735 174.4744 130 N 4.7780 8.0554 114.1139 53.2085 40.3263 175.3093 131 V 4.3493 7.5264 116.5226 60.5312 34.2366 174.0313 132 D 4.5292 8.7207 126.7576 54.3067 42.1408 174.7718 133 V 4.5968 8.4937 126.9274 61.3234 33.2530 174.4582 134 R 4.5142 8.6226 129.3833 54.8049 31.8212 174.6569 135 L 4.9292 8.3992 126.3248 53.3714 43.2430 176.0652 136 K 4.7407 9.0807 122.6357 54.5545 36.5013 175.2779 137 V 4.9358 8.4530 122.0900 61.2112 33.9478 174.4943 138 R 4.6530 8.5496 127.2424 54.2105 32.0613 175.6385 139 E 4.2093 8.7738 124.2674 56.8078 29.5078 176.6781 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 2 A 8.26 4.30 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 3 N 8.47 4.56 0.00 2.78 2.92 0.00 0.00 7.00 6.79 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 4 V 8.60 3.84 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 0.69 0.00 0.00 1.01 0.00 0.00 5 Y 7.44 4.84 0.00 2.84 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 6 T 7.71 4.16 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 1.07 0.00 0.00 7 A 7.94 4.54 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 8 E 8.23 4.82 0.00 1.94 1.69 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 2.25 2.27 0.00 9 A 8.51 5.13 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 10 T 9.04 4.67 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 11 A 8.72 5.33 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 T 8.73 4.51 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 13 G 8.50 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 0.00 0.00 0.00 14 G 8.80 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 15 R 8.28 4.16 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 16 A 7.78 4.64 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 17 G 7.92 4.06 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 0.00 0.00 0.00 18 T 8.73 5.30 4.35 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 1.28 0.00 0.00 19 T 8.83 5.07 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 1.23 0.00 0.00 20 R 8.68 5.07 0.00 1.92 1.71 0.00 3.15 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 21 S 9.35 4.99 0.00 4.00 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 22 S 8.97 4.23 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 23 D 8.04 4.66 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 24 D 8.11 4.46 0.00 2.86 2.82 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 25 R 8.49 4.05 0.00 1.95 2.03 0.00 3.36 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 26 L 8.26 4.73 0.00 1.58 1.57 0.96 0.70 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 27 N 8.74 4.98 0.00 2.66 2.68 0.00 0.00 6.95 7.78 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 28 L 9.11 4.95 0.00 1.71 1.50 0.94 1.24 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 29 D 8.59 5.14 0.00 2.60 2.57 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 30 L 8.50 5.30 0.00 1.58 1.54 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.70 4.75 0.00 3.87 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 32 V 8.33 3.80 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 0.96 0.00 0.00 0.91 0.00 0.00 33 P 0.00 4.54 0.00 2.22 2.04 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 34 A 8.68 4.44 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 35 E 8.12 4.00 0.00 1.96 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 2.39 0.00 *37 G 8.22 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 38 G 7.77 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 39 D 8.60 4.43 0.00 2.80 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 40 G 8.01 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 41 G 7.97 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 42 P 0.00 4.17 0.00 2.19 2.19 0.00 3.77 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 1.98 1.96 0.00 43 G 7.19 3.77 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 0.00 0.00 0.00 44 T 8.39 4.73 4.26 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 1.29 0.00 0.00 45 N 8.35 5.13 0.00 2.82 3.03 0.00 0.00 5.98 7.76 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 46 P 0.00 4.29 0.00 2.14 2.12 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 47 E 8.22 4.14 0.00 2.23 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 2.42 2.43 0.00 48 Q 8.68 4.03 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 49 L 8.22 4.08 0.00 1.97 1.80 0.96 0.87 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 50 F 8.61 4.39 0.00 3.31 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 51 A 8.50 3.95 1.46 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 0.00 0.00 52 A 8.29 4.06 1.39 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 0.00 0.00 0.00 53 G 8.18 3.73 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 0.00 0.00 0.00 54 Y 7.86 3.16 0.00 2.71 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 55 A 7.92 3.90 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 56 A 7.86 3.91 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 57 C 8.23 3.99 0.00 2.42 2.78 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 58 F 8.62 4.02 0.00 3.24 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 59 Q 8.25 4.14 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 60 G 8.20 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.29 4.00 0.00 1.92 1.80 1.26 1.21 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 63 G 7.94 3.58 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 0.00 0.00 0.00 64 V 7.62 3.55 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 1.04 0.00 0.00 0.95 0.00 0.00 65 V 7.90 3.52 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 0.89 0.00 0.00 0.92 0.00 0.00 66 S 8.12 4.17 0.00 3.96 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 67 R 8.05 3.95 0.00 2.04 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 68 R 8.03 3.80 0.00 1.75 1.97 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 69 N 8.06 4.62 0.00 2.83 2.82 0.00 0.00 7.25 7.13 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 70 K 7.41 3.89 0.00 2.05 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.23 7.81 71 I 7.51 4.56 1.84 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 1.30 0.68 0.87 0.00 0.00 72 D 8.53 4.66 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 73 V 8.17 4.26 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 1.00 0.00 0.00 0.94 0.00 0.00 74 P 0.00 4.24 0.00 2.27 2.02 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 75 A 8.67 4.08 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 76 D 7.87 4.83 0.00 2.78 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 S 7.85 4.50 0.00 3.87 3.58 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 78 T 8.40 4.67 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 1.16 0.00 0.00 79 I 8.19 4.80 1.84 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 1.33 1.09 0.76 0.00 0.00 80 T 8.83 4.54 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 1.15 0.00 0.00 81 A 8.52 4.91 1.06 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 0.00 0.00 82 R 9.05 4.55 0.00 1.65 1.81 0.00 3.03 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 83 V 8.60 4.80 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 1.04 0.00 0.00 1.20 0.00 0.00 84 G 9.07 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.50 5.09 0.00 1.68 1.64 1.04 0.74 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 86 Q 9.44 4.84 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 87 K 8.46 4.36 0.00 1.73 1.56 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.98 7.81 *92 F 8.51 4.83 0.00 3.05 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 93 A 8.73 4.84 1.21 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 94 L 8.45 5.15 0.00 1.47 1.59 0.28 0.88 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 95 D 9.01 5.02 0.00 2.95 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.64 4.95 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 0.63 0.00 0.00 1.32 0.00 0.00 97 E 9.24 5.07 0.00 1.97 1.67 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 2.09 2.18 0.00 98 L 8.56 4.90 0.00 1.11 0.90 -0.40 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.16 4.94 0.00 1.90 1.68 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 2.13 2.19 0.00 100 G 8.94 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.46 5.06 0.00 3.11 2.99 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.43 5.26 0.00 3.01 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 0.00 103 P 0.00 4.27 0.00 2.03 2.01 0.00 3.62 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 104 G 9.11 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 0.00 0.00 0.00 0.00 105 L 7.35 4.58 0.00 1.79 1.57 0.76 0.92 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 0.00 106 S 8.81 4.46 0.00 4.05 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 0.00 107 R 8.57 3.90 0.00 2.02 2.00 0.00 3.29 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 108 E 8.08 3.99 0.00 2.13 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 2.40 1.97 0.00 109 Q 7.98 3.87 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 110 A 7.81 3.40 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 0.00 111 E 8.11 4.20 0.00 2.19 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 2.39 2.47 0.00 112 G 8.07 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 0.00 113 L 7.62 3.86 0.00 1.36 1.34 0.38 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *115 H 8.20 4.67 0.00 3.24 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.16 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 0.00 117 A 8.06 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.55 4.22 0.00 3.56 3.66 0.00 5.95 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 0.00 119 E 7.84 4.17 0.00 2.11 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 2.61 2.49 0.00 120 V 7.30 4.03 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 0.80 0.00 0.00 0.89 0.00 0.00 121 C 7.75 4.02 0.00 2.92 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 0.00 122 P 0.00 4.39 0.00 2.37 2.34 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 123 Y 8.18 3.87 0.00 2.34 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 0.00 0.00 0.00 124 S 8.38 4.45 0.00 4.11 3.84 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 0.00 125 A 7.98 4.14 1.39 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 0.00 0.00 0.00 126 A 8.25 4.00 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 0.00 127 T 7.65 4.45 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 1.38 0.00 0.00 128 R 7.12 4.09 0.00 2.07 1.94 0.00 3.48 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 129 N 8.98 4.51 0.00 2.96 3.00 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.06 4.78 0.00 2.88 2.86 0.00 0.00 6.65 7.65 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 0.00 131 V 7.53 4.35 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 1.03 0.00 0.00 0.99 0.00 0.00 132 D 8.72 4.53 0.00 2.88 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 0.00 133 V 8.49 4.60 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 0.78 0.00 0.00 1.22 0.00 0.00 134 R 8.62 4.51 0.00 1.93 1.73 0.00 3.12 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 135 L 8.40 4.93 0.00 1.47 1.52 0.81 0.77 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 0.00 136 K 9.08 4.74 0.00 1.61 1.63 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.30 7.81 137 V 8.45 4.94 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 0.91 0.00 0.00 1.06 0.00 0.00 138 R 8.55 4.65 0.00 1.95 1.93 0.00 3.24 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 139 E 8.77 4.21 0.00 2.01 1.86 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 2.34 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.