NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2106 8.0393 113.9671 61.3281 33.3071 173.9619 3 Q 4.4172 8.9987 119.4591 54.0370 32.1274 172.4551 4 L 5.0474 8.6756 120.4072 53.0336 44.9280 177.3280 5 V 4.2739 8.8166 123.5276 61.0817 33.7436 174.2695 6 E 4.9174 8.7989 128.8603 56.5106 30.5938 176.7183 7 S 4.7810 9.0822 123.1617 58.0402 65.9310 174.4562 8 G 3.6280 9.7538 110.1086 45.3120 0.0000 170.9728 9 G 3.4942 8.7532 103.3035 43.9898 0.0000 172.3091 10 G 3.9717 7.3655 104.7532 43.3557 0.0000 172.0802 11 S 5.4125 8.2041 114.7648 56.5867 64.9570 174.0195 12 V 4.5719 9.1293 122.4108 59.8141 35.4038 174.0744 13 Q 4.7948 8.5908 122.2483 54.9267 30.4718 174.5973 14 A 4.1405 8.6973 128.6846 53.7022 18.9677 178.0442 15 G 3.9685 9.3945 110.8701 45.3075 0.0000 174.0781 16 G 3.8658 7.9512 107.3254 46.1619 0.0000 172.4458 17 S 5.3198 8.0873 114.8591 56.6371 65.2494 172.4594 18 L 4.6086 6.8744 123.7195 54.7250 46.0462 172.7754 19 R 4.5180 8.3447 125.8482 54.3675 32.1851 174.7368 20 L 4.1932 7.8948 126.9672 54.5144 43.1711 176.2725 21 S 5.2879 8.5088 115.0593 57.1102 66.7936 173.1536 22 C 5.4737 9.3442 123.9656 55.7759 44.2015 172.6122 23 T 5.1214 8.8940 122.5602 61.6343 71.4613 173.2135 24 A 4.7639 8.2605 128.2317 51.0496 19.5610 176.4865 25 S 4.4271 10.2021 118.4787 57.3674 64.2237 173.1983 26 G 4.4491 7.9831 111.6687 43.1396 0.0000 173.0521 27 G 4.1048 7.8193 108.5649 44.1756 0.0000 171.5366 28 S 4.5433 8.5788 125.2290 59.0616 67.4613 177.0798 *31 S 4.3146 7.3529 113.9255 57.9086 63.3345 173.6683 32 Y 3.9601 8.6587 127.5992 60.7209 38.4572 177.7909 33 S 4.3249 8.3639 112.7800 60.3829 62.8543 175.2574 34 T 3.9872 7.9815 117.9226 64.3733 68.9570 174.2428 35 F 4.8841 8.5145 120.4740 56.1885 40.8720 175.4026 36 S 4.8277 9.0570 117.5486 56.7766 65.7176 173.3380 37 L 5.2659 8.8834 123.5952 53.2731 45.5915 175.7124 38 G 4.4505 8.2675 107.1288 44.8435 0.0000 171.6763 39 W 5.3153 9.7381 123.9818 55.2632 31.1146 175.6616 40 F 5.4255 9.9045 123.1430 55.8607 42.7931 174.0094 41 R 5.1167 8.8223 115.8244 55.5170 33.7071 173.8297 42 Q 4.7451 8.5482 117.6936 55.6447 31.7541 173.5344 43 A 4.8912 8.4910 129.2676 49.5451 21.3514 173.8055 44 P 4.4640 0.0000 0.0000 64.1624 31.6856 175.9000 45 G 4.4061 9.1083 118.2433 46.1890 0.0000 174.0782 46 Q 4.1861 6.9795 118.3143 54.8589 29.2910 176.0196 47 E 4.2926 8.2840 119.8802 55.4010 30.7027 176.2607 48 R 4.3414 8.3112 120.6287 56.0944 30.6922 175.0710 49 E 4.8744 8.7938 122.7545 54.5306 33.0129 174.5945 50 A 3.8646 8.2270 121.2189 50.9026 20.0979 177.0064 51 V 4.2803 8.0121 118.6291 64.0089 34.7543 175.5289 52 A 4.9616 7.4367 117.0508 51.2603 22.2554 175.1716 53 A 5.2766 8.7480 122.3873 50.4343 23.9256 175.2498 54 I 5.0802 9.5058 119.0344 59.5609 40.8321 174.6025 55 A 3.8092 9.1528 132.4753 51.7860 18.4252 176.8709 56 S 4.5859 8.2432 114.0446 57.8442 66.2124 173.7460 57 M 3.3872 8.0857 116.2334 54.4228 30.0038 179.0833 58 G 4.7054 8.0413 117.3622 46.6829 0.0000 174.9050 59 G 4.1365 7.2934 108.4282 44.7902 0.0000 173.3580 60 L 4.2164 8.2231 119.8518 54.8600 42.5439 176.3121 61 T 5.1639 8.2528 113.1149 60.2708 71.6801 173.0983 62 Y 4.7728 8.5617 119.6190 56.7060 42.5404 173.8582 63 Y 5.3440 8.5600 118.5054 56.0486 42.4020 175.0880 64 A 4.2420 8.8045 123.5581 51.8462 19.7029 178.4014 65 D 4.3095 9.0605 121.0313 57.6558 41.0024 179.5772 66 S 4.1625 8.0704 111.1939 60.4872 62.9670 175.0789 67 V 3.8234 7.4215 112.2942 60.3599 33.1404 175.6001 68 K 3.8041 7.3293 120.9868 57.9537 32.5719 174.8198 69 G 4.2588 8.7197 114.9218 45.9178 0.0000 174.9716 70 R 4.2051 7.7349 118.0662 58.4388 30.7919 176.6548 71 F 4.7357 8.0625 115.3818 57.9607 40.1173 176.1669 72 T 4.6261 8.8766 118.9705 62.4144 71.4460 172.7913 73 I 5.3208 9.3845 127.2864 60.3467 39.3558 174.6268 74 S 4.9457 8.5143 121.1683 57.7228 66.6668 172.3408 75 R 5.1982 8.4185 114.8070 55.0933 32.5665 174.7401 76 D 4.7514 9.2702 120.6499 52.1027 41.8738 175.5101 77 N 4.5994 9.0390 122.0727 55.8595 39.1426 176.7201 78 A 4.0914 8.2144 120.1959 54.6721 18.5454 178.1114 79 K 4.1887 7.6749 110.9133 55.4973 33.0898 176.0973 80 N 3.1400 7.5517 116.5390 54.1143 36.5517 173.7295 81 T 5.1518 6.9454 112.2660 61.8109 73.6820 174.6095 82 V 5.0393 9.0113 124.8145 61.6277 34.6518 174.4943 83 T 5.2093 9.2501 122.9445 61.7606 72.7423 172.4519 84 L 4.5693 8.2810 128.5165 53.3029 44.2733 174.9742 85 Q 4.1623 8.4684 129.4796 55.0151 30.3109 174.1818 86 M 3.9758 8.0922 127.9383 54.1245 32.9025 176.5595 87 N 4.3251 8.5459 121.4686 54.5475 39.9187 175.8672 88 N 4.9361 7.7895 116.7875 51.3580 37.9885 173.2856 89 L 4.5412 8.5022 121.8721 54.6804 43.3296 176.7815 90 K 4.9771 9.0838 121.8395 53.7361 35.8971 175.6960 91 P 4.6200 0.0000 0.0000 64.5870 31.4348 178.3587 92 E 4.1881 8.0741 116.2278 58.3411 29.6998 177.3704 93 D 4.6622 8.3005 118.1492 56.1651 41.2730 176.2412 94 T 4.2500 7.5709 115.9000 65.0175 68.9903 173.3551 95 A 4.3639 8.6718 127.6447 51.9983 24.2018 173.7948 96 I 4.8128 8.0795 118.7716 60.1395 39.8263 174.2219 97 Y 5.0291 9.3910 127.9655 57.1057 39.8098 174.2045 98 Y 5.5334 9.4689 122.0884 56.6128 41.0569 174.0593 99 C 4.2375 8.9399 122.1971 55.1149 47.3584 172.0059 100 A 4.5510 7.5373 123.6143 50.3700 22.4867 174.9109 101 A 5.5153 8.7949 120.7592 51.0166 23.5109 175.7146 102 V 4.4593 8.5300 117.3312 60.7917 35.1142 173.3877 103 R 3.2002 7.5222 124.9862 53.7979 28.2807 175.8290 104 G 4.0343 7.2030 109.0650 45.9945 0.0000 168.3374 105 Y 4.5505 8.1958 120.8597 56.0891 42.2279 174.5178 106 F 4.5920 5.7077 115.1827 56.8125 39.5083 172.9942 107 M 5.1009 8.3896 116.3450 53.7435 31.6032 174.7654 108 R 4.4003 7.1275 116.4552 54.8404 34.5735 174.3031 109 L 3.7873 8.0799 121.0483 54.2165 42.3528 175.2515 110 P 4.2183 0.0000 0.0000 61.9033 32.5440 174.6815 111 S 5.0437 8.0946 112.2340 56.4117 66.5314 174.6802 112 S 4.3551 9.2885 114.8077 62.1102 62.3807 176.4032 113 H 4.1878 8.2595 116.5470 58.6998 28.5284 176.2726 114 N 4.2849 8.2530 115.9544 54.9207 38.5194 175.1611 115 F 4.8393 7.8080 115.8869 55.6322 41.1790 175.2458 116 R 4.6075 8.4749 118.7953 56.9977 31.7111 175.8010 117 Y 5.0486 7.7002 117.1592 56.4476 39.7773 175.0095 118 W 5.3175 8.9354 122.5163 54.8799 33.4274 175.3537 119 G 4.0857 9.0298 110.8209 45.7556 0.0000 173.5683 120 Q 4.5218 8.8493 116.9006 55.7631 29.2215 177.3530 121 G 3.5175 9.5470 105.1078 45.4466 0.0000 173.4054 122 T 4.5914 8.3409 116.8569 61.3391 72.9035 173.2437 123 Q 4.3991 8.8246 128.5547 56.1624 30.6797 174.7872 124 V 4.7621 8.9990 125.8709 61.4850 34.8290 174.0537 125 T 4.9330 8.8251 124.6197 61.7859 71.7492 173.0339 126 V 5.4981 9.3672 127.3377 60.4048 33.9986 174.6304 127 S 4.9399 8.3975 120.8750 56.4611 66.7862 173.1931 128 S 4.4793 8.6885 118.0248 58.5836 63.4531 174.8291 *129 R 4.1503 8.3432 121.3212 56.5197 29.8986 176.4281 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 V 8.04 4.21 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 0.80 0.00 0.00 -0.31 0.00 0.00 3 Q 9.00 4.42 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 4 L 8.68 5.05 0.00 1.51 1.53 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.82 4.27 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 0.99 0.00 0.00 0.91 0.00 0.00 6 E 8.80 4.92 0.00 2.06 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 2.55 2.39 0.00 7 S 9.08 4.78 0.00 3.73 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 8 G 9.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.75 3.49 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 0.00 0.00 0.00 10 G 7.37 3.97 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 0.00 0.00 0.00 11 S 8.20 5.41 0.00 3.91 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 12 V 9.13 4.57 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 0.70 0.00 0.00 0.95 0.00 0.00 13 Q 8.59 4.79 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 14 A 8.70 4.14 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 15 G 9.39 3.97 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 0.00 0.00 0.00 16 G 7.95 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 17 S 8.09 5.32 0.00 3.82 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 18 L 6.87 4.61 0.00 1.59 1.23 0.79 0.77 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 19 R 8.34 4.52 0.00 1.88 1.66 0.00 3.22 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 20 L 7.89 4.19 0.00 0.41 0.91 0.33 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.51 5.29 0.00 3.86 3.69 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 22 C 9.34 5.47 0.00 3.03 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 23 T 8.89 5.12 4.20 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 1.18 0.00 0.00 24 A 8.26 4.76 1.15 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 25 S 10.20 4.43 0.00 3.81 3.66 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 26 G 7.98 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 0.00 0.00 0.00 0.00 27 G 7.82 4.10 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 0.00 0.00 0.00 28 S 8.58 4.54 0.00 3.91 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 *31 S 7.35 4.31 0.00 3.95 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 32 Y 8.66 3.96 0.00 2.95 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 33 S 8.36 4.32 0.00 4.09 4.20 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 34 T 7.98 3.99 4.46 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 1.12 0.00 0.00 35 F 8.51 4.88 0.00 2.49 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 36 S 9.06 4.83 0.00 3.51 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 37 L 8.88 5.27 0.00 1.64 1.46 0.82 0.82 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 38 G 8.27 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 0.00 0.00 0.00 0.00 39 W 9.74 5.32 0.00 3.47 3.44 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 40 F 9.90 5.43 0.00 3.34 3.28 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 41 R 8.82 5.12 0.00 0.78 0.94 0.00 2.45 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 42 Q 8.55 4.75 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 43 A 8.49 4.89 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 44 P 0.00 4.46 0.00 2.08 2.04 0.00 3.68 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 2.06 2.12 0.00 45 G 9.11 4.41 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 0.00 46 Q 6.98 4.19 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 47 E 8.28 4.29 0.00 1.97 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 2.30 2.29 0.00 48 R 8.31 4.34 0.00 1.69 1.79 0.00 3.07 0.00 0.00 2.75 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 49 E 8.79 4.87 0.00 2.06 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 2.19 2.20 0.00 50 A 8.23 3.86 0.74 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 0.00 0.00 51 V 8.01 4.28 2.48 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 1.38 0.00 0.00 0.97 0.00 0.00 52 A 7.44 4.96 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 53 A 8.75 5.28 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 54 I 9.51 5.08 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.69 1.04 0.00 0.00 55 A 9.15 3.81 0.65 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 56 S 8.24 4.59 0.00 4.22 4.19 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 57 M 8.09 3.39 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 58 G 8.04 4.71 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 0.00 0.00 0.00 59 G 7.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.22 4.22 0.00 1.78 1.59 1.14 0.59 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 61 T 8.25 5.16 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 1.31 0.00 0.00 62 Y 8.56 4.77 0.00 2.85 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 63 Y 8.56 5.34 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 64 A 8.80 4.24 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 65 D 9.06 4.31 0.00 2.70 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 66 S 8.07 4.16 0.00 3.90 3.97 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 67 V 7.42 3.82 0.67 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 0.08 0.00 0.00 0.93 0.00 0.00 68 K 7.33 3.80 0.00 1.69 1.67 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.29 7.81 69 G 8.72 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 0.00 0.00 0.00 0.00 70 R 7.73 4.21 0.00 2.19 2.17 0.00 3.40 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 71 F 8.06 4.74 0.00 2.84 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 72 T 8.88 4.63 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 73 I 9.38 5.32 2.13 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.63 0.92 0.00 0.00 74 S 8.51 4.95 0.00 3.97 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 75 R 8.42 5.20 0.00 2.00 2.04 0.00 3.05 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 76 D 9.27 4.75 0.00 2.71 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 77 N 9.04 4.60 0.00 2.85 3.04 0.00 0.00 7.15 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 78 A 8.21 4.09 1.30 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 79 K 7.67 4.19 0.00 1.72 1.77 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.50 7.81 80 N 7.55 3.14 0.00 2.54 2.01 0.00 0.00 6.72 7.19 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 81 T 6.95 5.15 4.22 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 1.31 0.00 0.00 82 V 9.01 5.04 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 1.35 0.00 0.00 1.08 0.00 0.00 83 T 9.25 5.21 4.31 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 1.24 0.00 0.00 84 L 8.28 4.57 0.00 0.29 0.27 1.08 0.35 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 85 Q 8.47 4.16 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 86 M 8.09 3.98 0.00 1.11 1.51 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.00 87 N 8.55 4.33 0.00 2.74 2.84 0.00 0.00 6.83 7.66 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 88 N 7.79 4.94 0.00 2.71 2.74 0.00 0.00 6.98 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 89 L 8.50 4.54 0.00 1.78 1.60 0.79 0.74 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 90 K 9.08 4.98 0.00 1.72 1.68 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.61 7.81 91 P 0.00 4.62 0.00 2.19 2.14 0.00 3.89 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 2.13 2.10 0.00 92 E 8.07 4.19 0.00 1.98 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 2.34 2.28 0.00 93 D 8.30 4.66 0.00 2.93 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 94 T 7.57 4.25 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 1.27 0.00 0.00 95 A 8.67 4.36 1.34 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 0.00 0.00 0.00 96 I 8.08 4.81 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.28 1.10 0.00 0.00 97 Y 9.39 5.03 0.00 2.99 3.26 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 98 Y 9.47 5.53 0.00 3.25 3.23 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 99 C 8.94 4.24 0.00 1.85 2.60 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 0.00 100 A 7.54 4.55 -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 0.00 101 A 8.79 5.52 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 0.00 102 V 8.53 4.46 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 0.67 0.00 0.00 0.80 0.00 0.00 103 R 7.52 3.20 0.00 0.85 1.48 0.00 3.07 0.00 0.00 3.77 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.00 104 G 7.20 4.03 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 0.00 105 Y 8.20 4.55 0.00 2.68 2.70 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 0.00 106 F 5.71 4.59 0.00 2.70 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 0.00 107 M 8.39 5.10 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 108 R 7.13 4.40 0.00 1.49 1.71 0.00 3.12 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 109 L 8.08 3.79 0.00 1.61 1.50 0.81 0.89 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 0.00 110 P 0.00 4.22 0.00 2.04 1.23 0.00 3.42 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.00 111 S 8.09 5.04 0.00 4.12 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 0.00 112 S 9.29 4.36 0.00 3.92 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 0.00 113 H 8.26 4.19 0.00 3.18 3.43 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.25 4.28 0.00 2.24 2.12 0.00 0.00 6.90 7.39 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 0.00 115 F 7.81 4.84 0.00 2.44 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 0.00 116 R 8.47 4.61 0.00 1.66 1.86 0.00 2.75 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 117 Y 7.70 5.05 0.00 3.01 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 0.00 118 W 8.94 5.32 0.00 3.08 3.11 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 0.00 0.00 0.00 0.00 119 G 9.03 4.09 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 0.00 120 Q 8.85 4.52 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 121 G 9.55 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.59 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 1.24 0.00 0.00 123 Q 8.82 4.40 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 124 V 9.00 4.76 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 0.72 0.00 0.00 0.57 0.00 0.00 125 T 8.83 4.93 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 1.23 0.00 0.00 126 V 9.37 5.50 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 1.07 0.00 0.00 0.94 0.00 0.00 127 S 8.40 4.94 0.00 3.88 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 0.00 128 S 8.69 4.48 0.00 3.91 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 *129 R 8.34 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.