NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8814 8.0932 114.8011 57.7142 64.5398 174.2850 2 L 4.0242 8.2606 121.3251 57.8005 41.0744 178.7358 3 I 3.7447 8.3131 120.6322 64.4580 37.2913 177.9379 4 E 4.0992 7.9390 118.8715 58.9817 29.3710 178.6792 5 F 4.7441 8.6379 121.0488 61.5042 39.4631 177.0422 6 G 3.8077 8.2575 105.3461 48.0609 0.0000 175.3915 7 K 4.0275 7.8829 122.1332 59.2103 32.1529 178.7262 8 M 4.0648 8.2577 118.9928 58.5027 31.8374 178.6674 9 I 3.5734 7.7559 119.9222 64.2776 37.2133 178.1857 10 L 4.6292 7.7037 122.2357 57.7954 41.7210 178.7833 11 E 3.9799 8.0644 117.0676 59.5393 29.5004 179.0653 12 E 4.1373 8.3238 117.6893 59.0935 29.7269 178.6035 13 T 4.4884 8.1696 107.1908 60.6990 70.3961 175.5588 14 G 3.7407 8.0061 109.8532 45.9537 0.0000 172.9616 *16 K 4.5422 7.4853 117.2336 55.8161 32.9056 175.1308 17 L 4.3978 8.1128 121.7744 54.1491 42.6994 177.8172 18 A 4.0417 8.8750 126.4412 54.7743 18.4977 177.2469 19 I 4.6630 7.6412 115.7955 59.2839 38.9603 173.7195 20 P 5.0438 0.0000 0.0000 61.8268 31.9708 177.3733 21 S 4.2360 7.6597 114.9154 60.9402 62.6937 174.8322 22 Y 4.6950 8.1923 115.5397 57.5575 38.3160 176.2457 23 S 4.8836 7.9783 113.9472 58.4001 64.5638 174.8736 24 S 5.0306 7.8124 116.3344 58.1256 63.6624 172.2408 25 Y 4.8377 8.1858 122.7605 57.9981 40.4176 175.2707 26 G 3.4278 8.0282 116.0291 46.9077 0.0000 173.5237 27 C 4.5265 9.4198 116.4067 57.6520 41.0622 174.6651 28 Y 4.1875 8.5258 114.9444 57.7128 39.8129 175.0627 29 C 4.7071 8.3996 117.7040 60.0129 40.4887 173.2215 30 G 4.8633 8.9245 117.1697 45.0336 0.0000 174.2145 31 G 4.1641 8.8114 107.0098 43.9539 0.0000 172.8103 32 G 4.2953 7.7107 107.7822 44.8638 0.0000 170.3089 33 G 3.5851 7.2801 109.2047 45.2697 0.0000 173.8351 34 K 4.5560 7.0519 118.9707 55.8628 36.1349 176.5947 35 G 3.8891 8.8527 108.5763 45.1471 0.0000 172.3982 36 T 4.3549 7.6886 114.7841 61.4729 69.4438 173.7673 37 P 4.6922 0.0000 0.0000 62.5351 32.0360 176.9458 38 K 3.8913 8.6086 121.5653 58.9522 32.5175 176.1639 39 D 4.4640 7.1600 115.5698 51.3623 41.8658 175.1690 40 A 4.0009 8.7137 119.6306 55.8981 18.3694 179.8326 41 T 4.0221 7.9926 113.7949 67.0478 68.6166 176.1246 42 D 4.5974 8.6373 119.8025 57.5031 41.1723 178.5312 43 R 3.9899 8.1983 118.7430 59.1804 29.9991 178.1506 44 C 4.1623 8.3141 116.4635 60.4158 36.3875 175.6257 45 C 4.3762 8.3205 117.3858 59.9067 38.9026 175.8491 46 F 3.7132 8.3469 122.2117 61.2738 38.8711 177.3225 47 V 3.2873 7.9173 117.7569 66.0702 31.3137 177.3143 48 H 3.7835 8.1316 117.8982 59.2449 29.6628 176.7291 49 D 4.1753 8.3407 120.8217 57.7498 40.4783 178.2484 50 C 4.0447 7.6603 115.6330 60.0780 37.9297 175.1812 51 C 4.2717 8.1814 120.3492 59.8760 42.7679 175.2374 52 Y 4.2726 7.8494 118.4898 61.0527 37.2032 178.7803 53 G 3.6488 7.9843 105.4867 47.2719 0.0000 174.5524 54 N 4.7144 7.7704 116.4509 53.4431 40.0490 175.2743 55 L 4.8071 7.7214 120.2338 52.4808 42.1290 174.8080 56 P 4.2574 0.0000 0.0000 65.3506 32.4260 178.3115 *59 D 4.8330 7.7781 117.9818 54.4065 42.4567 175.5670 *61 C 5.4072 7.7671 114.6522 57.3647 41.3945 173.0548 *67 N 5.0892 8.3225 116.8055 52.7847 38.2849 173.5794 68 P 4.1267 0.0000 0.0000 64.8901 32.2410 179.8362 69 K 4.1515 7.9662 118.6928 58.1252 32.2764 178.2053 70 S 4.6034 7.8264 110.3471 57.7892 64.8136 173.3826 71 D 4.5393 7.9815 121.7549 53.4905 41.3480 175.7175 72 R 4.5343 8.6467 125.3844 54.7422 31.2357 174.9303 73 Y 4.9852 7.6410 118.0786 55.1027 41.4737 174.2432 74 K 4.9762 8.6392 118.2991 54.8599 35.3219 175.1495 75 Y 5.5325 8.3647 120.5406 55.4627 41.7416 173.5997 76 K 4.6927 9.4267 119.2826 55.4412 37.0912 174.6384 77 R 5.7140 8.5143 118.0923 53.5728 32.8651 175.8919 78 V 4.1440 8.3900 123.4264 61.7955 32.5943 174.9529 79 N 4.0709 9.6966 126.5205 54.4533 35.7547 175.8203 80 G 3.9984 8.5773 106.6297 45.3167 0.0000 174.1680 81 A 4.4720 7.5925 121.7483 51.1295 20.3114 176.8517 82 I 4.4939 8.2848 122.2731 61.2341 38.2319 175.7022 83 V 4.4043 9.2083 126.8938 61.0919 34.3973 173.7436 84 C 4.9063 8.8901 126.1054 56.8294 40.5351 173.6974 85 E 4.4200 9.0635 124.2899 55.7249 29.8943 176.4503 86 D 4.4841 8.5785 121.3755 54.2775 42.6639 175.8350 *88 G 4.3557 8.2200 113.2001 45.4254 0.0000 172.2295 89 T 4.2720 8.7303 114.0529 61.0553 71.2743 175.6936 90 S 4.1552 8.4457 115.4228 61.5934 62.9659 177.0478 91 C 4.2294 8.1225 119.6994 60.0329 40.2804 175.8213 92 Q 4.0417 7.9152 119.1984 58.9997 28.3390 178.8135 93 N 4.2420 8.1415 117.4472 56.4764 38.6245 177.7986 94 R 3.9034 7.8853 119.4177 58.9901 30.1423 179.1776 95 I 3.5885 8.0624 120.0946 64.4601 37.1477 177.3842 96 C 3.0642 7.7759 119.3553 59.5890 37.4511 175.5534 97 E 3.8113 7.8283 119.6297 59.4686 29.0370 178.6786 98 C 4.1718 8.0494 116.5583 60.1448 41.4748 176.0398 99 D 3.8895 7.9086 120.2831 56.9163 40.4510 178.4037 100 K 3.6966 8.2718 120.4221 59.6384 31.9999 178.4758 101 A 3.8474 7.7253 119.9165 55.0006 18.3117 179.3321 102 A 3.4221 7.6796 118.8366 55.1491 18.4239 179.6451 103 A 3.9044 7.9612 119.1380 55.4246 18.4226 180.0114 104 I 3.6456 7.6621 118.2700 64.4066 36.9382 177.6579 105 C 4.1207 7.9931 118.6632 59.8149 37.8436 175.2619 106 F 4.5987 8.0956 119.4748 60.9029 38.4064 177.7457 107 R 3.9833 8.2006 118.1534 59.3708 29.6538 178.2047 108 Q 4.2519 8.1396 118.3279 57.8369 29.2400 176.1273 109 N 5.1015 7.7248 115.7753 52.9261 39.8602 176.1091 110 L 4.1016 7.8455 120.7752 58.2530 41.7271 179.8161 111 T 4.0351 8.0763 106.9168 63.8971 68.6115 174.5270 112 T 4.5144 7.6023 110.5728 61.0556 69.3320 173.6999 113 Y 4.0008 8.0099 125.0607 58.2903 39.2233 174.8580 114 S 4.6926 8.7279 121.3541 56.2021 64.6301 174.3699 115 E 4.1545 8.9659 128.2050 58.8030 29.4183 179.2153 116 K 3.9462 7.7565 116.7813 59.0431 32.8266 177.1022 117 Y 4.3675 7.5532 116.7714 57.9846 38.2325 175.3706 118 E 4.2587 7.5285 120.0480 57.4306 30.0565 176.4431 119 L 3.7100 8.3264 120.8454 55.5694 40.0738 174.6881 120 Y 4.1297 8.0645 118.1037 56.8572 39.7656 173.3805 121 P 4.4497 0.0000 0.0000 62.1780 32.7654 176.1978 122 D 4.2492 9.1059 122.4305 57.3373 41.0285 178.2886 *124 F 4.8172 7.8299 110.4270 56.5053 39.5273 175.3656 125 L 3.7805 7.0991 119.5199 55.5638 41.5350 176.9828 126 C 4.6502 7.9529 117.7231 55.2939 33.3387 172.4943 127 K 4.6368 8.0102 122.8247 55.0228 34.8977 174.9229 128 G 4.1169 8.3471 106.5270 44.1183 0.0000 172.7501 129 K 4.5876 8.1652 118.6139 54.7195 35.1261 175.8040 130 I 4.2326 8.1148 125.0253 59.9764 40.1558 173.8601 131 K 4.4500 8.5056 129.2528 55.5998 33.2497 177.0335 132 C 4.4856 8.6659 120.1231 57.3738 41.1407 173.7178 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 1 S 8.09 4.88 0.00 4.23 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 2 L 8.26 4.02 0.00 1.80 1.93 1.01 0.91 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 3 I 8.31 3.74 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.91 0.00 0.00 4 E 7.94 4.10 0.00 1.84 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 1.80 2.30 0.00 5 F 8.64 4.74 0.00 3.19 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 6 G 8.26 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 0.00 0.00 0.00 7 K 7.88 4.03 0.00 2.04 2.15 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.54 7.81 8 M 8.26 4.06 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 9 I 7.76 3.57 1.76 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.62 0.00 0.00 10 L 7.70 4.63 0.00 1.76 1.82 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.06 3.98 0.00 2.21 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 2.40 2.60 0.00 12 E 8.32 4.14 0.00 1.93 2.02 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 2.51 2.44 0.00 13 T 8.17 4.49 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 1.26 0.00 0.00 14 G 8.01 3.74 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 0.00 *16 K 7.49 4.54 0.00 1.87 1.65 0.00 1.51 0.00 0.00 0.96 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.26 7.81 17 L 8.11 4.40 0.00 1.69 1.68 0.91 0.85 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 18 A 8.88 4.04 1.24 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 0.00 0.00 0.00 19 I 7.64 4.66 1.90 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 1.52 0.72 0.94 0.00 0.00 20 P 0.00 5.04 0.00 2.23 2.29 0.00 3.85 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 2.00 1.93 0.00 21 S 7.66 4.24 0.00 3.79 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 22 Y 8.19 4.70 0.00 2.82 2.63 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 23 S 7.98 4.88 0.00 4.13 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 0.00 24 S 7.81 5.03 0.00 4.02 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 25 Y 8.19 4.84 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.03 3.43 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 0.00 27 C 9.42 4.53 0.00 2.96 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 28 Y 8.53 4.19 0.00 3.38 3.16 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 29 C 8.40 4.71 0.00 3.52 3.50 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 0.00 0.00 0.00 0.00 30 G 8.92 4.86 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 0.00 0.00 0.00 31 G 8.81 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 32 G 7.71 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 0.00 0.00 0.00 0.00 33 G 7.28 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.05 4.56 0.00 1.65 1.67 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.39 7.81 35 G 8.85 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 36 T 7.69 4.35 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 1.13 0.00 0.00 37 P 0.00 4.69 0.00 1.93 2.00 0.00 3.47 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 38 K 8.61 3.89 0.00 0.79 0.74 0.00 1.58 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.00 0.23 7.81 39 D 7.16 4.46 0.00 2.77 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 40 A 8.71 4.00 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 41 T 7.99 4.02 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 1.07 0.00 0.00 42 D 8.64 4.60 0.00 3.00 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 43 R 8.20 3.99 0.00 2.11 1.98 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 44 C 8.31 4.16 0.00 3.36 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 45 C 8.32 4.38 0.00 3.45 3.51 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 46 F 8.35 3.71 0.00 2.57 3.08 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 47 V 7.92 3.29 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 0.91 0.00 0.00 1.04 0.00 0.00 48 H 8.13 3.78 0.00 3.12 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.34 4.18 0.00 2.75 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 50 C 7.66 4.04 0.00 2.75 2.90 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 51 C 8.18 4.27 0.00 2.96 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 52 Y 7.85 4.27 0.00 3.11 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 53 G 7.98 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 54 N 7.77 4.71 0.00 2.87 2.84 0.00 0.00 6.76 8.01 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 55 L 7.72 4.81 0.00 1.48 1.51 0.86 1.10 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 56 P 0.00 4.26 0.00 2.20 2.29 0.00 3.70 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 2.05 1.97 0.00 *59 D 7.78 4.83 0.00 2.73 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 *61 C 7.77 5.41 0.00 2.90 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 *67 N 8.32 5.09 0.00 2.74 2.77 0.00 0.00 7.37 8.03 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 68 P 0.00 4.13 0.00 0.62 1.35 0.00 3.48 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.00 69 K 7.97 4.15 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.47 7.81 70 S 7.83 4.60 0.00 3.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.54 0.00 2.70 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 72 R 8.65 4.53 0.00 1.81 1.75 0.00 3.22 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 73 Y 7.64 4.99 0.00 3.03 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 74 K 8.64 4.98 0.00 1.76 1.86 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.36 7.81 75 Y 8.36 5.53 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 76 K 9.43 4.69 0.00 1.76 1.98 0.00 1.26 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 77 R 8.51 5.71 0.00 1.72 1.91 0.00 3.29 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 78 V 8.39 4.14 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 1.05 0.00 0.00 0.95 0.00 0.00 79 N 9.70 4.07 0.00 2.92 2.89 0.00 0.00 7.28 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 80 G 8.58 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 0.00 0.00 0.00 81 A 7.59 4.47 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 82 I 8.28 4.49 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.76 0.00 0.00 83 V 9.21 4.40 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 1.07 0.00 0.00 1.02 0.00 0.00 84 C 8.89 4.91 0.00 2.86 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 85 E 9.06 4.42 0.00 2.10 1.92 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 2.37 2.30 0.00 86 D 8.58 4.48 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 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 0.00 0.00 0.00 0.00 89 T 8.73 4.27 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 1.22 0.00 0.00 90 S 8.45 4.16 0.00 4.05 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 0.00 91 C 8.12 4.23 0.00 2.97 3.14 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 92 Q 7.92 4.04 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 93 N 8.14 4.24 0.00 2.92 2.81 0.00 0.00 7.02 7.81 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 94 R 7.89 3.90 0.00 1.82 1.92 0.00 3.10 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 1.60 1.72 0.00 95 I 8.06 3.59 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.97 0.00 0.00 96 C 7.78 3.06 0.00 1.77 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 97 E 7.83 3.81 0.00 1.96 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 2.39 2.42 0.00 98 C 8.05 4.17 0.00 3.19 2.95 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 0.00 0.00 0.00 99 D 7.91 3.89 0.00 2.78 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 0.00 100 K 8.27 3.70 0.00 1.67 1.93 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 101 A 7.73 3.85 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 0.00 102 A 7.68 3.42 1.01 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 0.00 103 A 7.96 3.90 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 0.00 104 I 7.66 3.65 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.87 0.00 0.00 105 C 7.99 4.12 0.00 2.90 2.95 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 0.00 0.00 0.00 106 F 8.10 4.60 0.00 3.01 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 0.00 107 R 8.20 3.98 0.00 1.95 2.08 0.00 3.16 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 1.74 1.69 0.00 108 Q 8.14 4.25 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.72 5.10 0.00 2.88 2.83 0.00 0.00 6.82 6.96 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 0.00 110 L 7.85 4.10 0.00 1.97 1.77 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.08 4.04 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 0.00 112 T 7.60 4.51 4.32 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 1.26 0.00 0.00 113 Y 8.01 4.00 0.00 3.03 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 0.00 114 S 8.73 4.69 0.00 3.92 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 0.00 115 E 8.97 4.15 0.00 2.08 2.02 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 2.72 2.47 0.00 116 K 7.76 3.95 0.00 1.64 1.70 0.00 1.25 0.00 0.00 1.45 0.00 0.00 2.27 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.43 0.64 7.81 117 Y 7.55 4.37 0.00 1.74 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 0.00 0.00 0.00 118 E 7.53 4.26 0.00 2.19 1.92 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 2.48 2.43 0.00 119 L 8.33 3.71 0.00 1.79 1.74 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.06 4.13 0.00 3.08 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 0.00 121 P 0.00 4.45 0.00 2.47 2.24 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 122 D 9.11 4.25 0.00 2.74 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 *124 F 7.83 4.82 0.00 3.24 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 0.00 125 L 7.10 3.78 0.00 1.24 1.54 0.34 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.95 4.65 0.00 3.10 3.20 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 0.00 127 K 8.01 4.64 0.00 1.76 1.66 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.45 7.81 128 G 8.35 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 0.00 129 K 8.17 4.59 0.00 1.68 1.63 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 130 I 8.11 4.23 1.69 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.66 0.00 0.00 131 K 8.51 4.45 0.00 1.80 1.73 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.50 7.81 132 C 8.67 4.49 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 * Residues marked with a * may have inaccurate shift predictions.