NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.1442 8.3049 120.3215 55.5402 33.2018 176.0145 6 C 4.3379 8.1115 119.8613 54.8752 39.8803 171.7863 7 Y 4.2519 8.7308 124.7988 56.2467 38.7643 173.6328 8 P 3.0777 0.0000 0.0000 64.1488 31.7306 176.6583 9 G 4.0510 8.8465 111.9370 45.1654 0.0000 174.1053 10 Q 4.2657 7.4215 113.3377 57.4457 31.1210 176.4628 11 A 4.2018 8.1247 121.1999 54.2806 18.8492 177.3560 12 F 5.0717 7.0389 108.8754 55.0368 41.0567 173.8348 13 Q 4.4340 8.7998 120.4132 56.3182 29.1636 175.3360 14 V 4.8778 8.0060 118.9989 59.9861 34.4380 173.5198 15 P 4.3480 0.0000 0.0000 62.6080 31.6275 175.9392 16 A 4.7270 8.5453 124.5595 53.0760 19.6432 177.3920 17 L 3.8505 8.6934 121.2323 55.0732 39.3342 173.6277 18 P 4.2213 0.0000 0.0000 65.6586 31.5969 179.2323 19 A 4.1425 8.5114 119.4666 54.4065 18.2487 178.2592 20 C 4.5311 8.0818 114.2832 58.3428 34.8308 176.2856 21 R 3.9077 7.5453 119.9233 58.5996 29.5207 177.0891 22 P 4.2857 0.0000 0.0000 65.5093 31.2172 178.1744 23 L 3.9089 7.3638 116.9405 58.0888 42.0432 178.8056 24 L 3.9112 7.9603 120.1223 58.2307 41.7541 179.1175 25 R 4.1709 7.7777 116.7424 58.7241 30.3323 178.7438 26 L 4.1703 7.7402 119.2576 57.9172 41.7872 179.4033 27 Q 4.0464 8.3139 118.4083 58.8355 28.4360 176.0353 28 C 4.5522 8.1874 114.1132 56.9420 41.7571 173.8559 29 N 4.8922 7.6138 117.7073 52.3134 37.4075 174.4424 30 G 3.8687 8.2641 104.7581 47.1430 0.0000 174.9258 31 S 4.3194 7.6544 114.9414 57.6238 63.4210 173.9975 32 Q 4.0492 8.4145 123.4145 56.0648 29.3188 175.5625 33 V 4.2796 8.1201 118.5517 58.8847 33.0744 174.5025 34 P 4.3035 0.0000 0.0000 62.9782 33.0913 177.0311 35 E 3.9443 8.8353 120.4619 59.6019 29.4764 179.5017 36 A 4.0282 8.0148 120.1806 55.4623 18.5034 179.9350 37 V 3.6587 7.7081 110.2031 63.9084 31.6841 178.4274 38 L 3.8956 7.6492 120.4629 58.1436 41.9161 178.7928 39 R 3.8640 8.3475 118.9786 59.8470 30.0135 178.2071 40 D 4.3246 8.2414 118.4632 57.2284 40.6992 177.9691 41 C 4.2323 8.0437 118.5583 59.9814 40.6082 174.9743 42 C 4.1703 8.3533 118.2733 60.0231 39.5342 175.7807 43 Q 3.8418 8.0461 120.3376 59.2622 28.5884 178.1271 44 Q 4.0609 7.9009 119.8929 59.1365 29.1711 177.9561 45 L 4.0219 8.1269 119.9923 57.9046 41.4532 179.2454 46 A 4.0348 8.2106 119.7925 55.7338 18.3096 179.1340 47 H 4.4365 7.6735 111.9919 57.3696 29.2266 176.1165 48 I 4.2270 7.2294 121.5173 60.0993 38.0754 175.8815 49 S 4.3945 8.5355 118.2928 58.0773 63.2142 174.6143 50 E 3.9294 9.0982 124.6792 59.7672 28.8636 179.8075 51 W 4.0526 8.3794 117.2596 58.5039 29.4658 176.8108 52 C 5.0518 8.4022 114.7936 56.6148 34.9920 175.8908 53 R 3.7670 7.9050 121.0134 59.3511 29.6813 179.2891 54 C 4.4791 8.2026 116.1553 59.5462 41.2461 176.0596 55 G 3.5788 8.0829 106.8744 47.7305 0.0000 175.4231 56 A 2.5800 7.6757 123.1505 54.4050 18.2198 179.7968 57 L 3.8444 7.6580 117.0778 57.7410 41.5676 179.0040 58 Y 3.7209 8.1137 119.5623 60.6956 38.7427 177.8692 59 S 4.2516 8.2527 114.0154 61.7940 62.4745 175.8041 60 M 3.9589 8.0904 120.6317 58.6255 32.0186 177.8975 61 L 3.7681 7.8532 120.4374 58.0405 42.1421 178.3478 62 D 4.5515 7.9564 119.5496 56.9387 41.2091 178.3056 63 S 4.1627 8.3028 115.7578 62.0512 62.7856 176.7035 64 M 3.9456 8.0302 121.1725 58.6454 31.4365 178.5003 65 Y 4.4245 7.7627 115.7656 60.7060 38.1733 177.7908 66 K 4.2821 8.3071 118.2758 58.0522 32.3825 178.4596 67 E 3.9293 8.1562 119.5629 57.9443 30.0618 176.2675 68 H 3.3468 7.6740 109.2560 56.4024 29.2383 173.2958 *78 G 3.7366 7.9300 108.6090 45.0427 0.0000 173.8413 79 A 3.8380 8.4559 121.6794 53.9622 18.4890 177.9437 80 F 4.6553 7.2892 114.5705 54.3810 39.7473 171.1682 81 P 4.3689 0.0000 0.0000 63.6728 31.6326 176.9247 82 R 4.0152 8.9150 120.4740 56.7898 27.4444 176.2983 83 C 5.0625 7.8208 114.6976 55.0351 43.8772 174.5025 84 R 4.4168 8.3227 122.3840 55.1705 32.0127 177.4305 85 R 3.9641 8.7032 123.5513 59.9579 30.1590 178.4226 86 E 3.9646 8.1392 117.3009 59.7352 29.6162 179.7769 87 V 3.6786 7.7055 111.7434 63.8763 31.6440 178.6094 88 V 3.2961 7.8818 118.7097 65.8799 31.4302 178.2144 89 K 3.9778 7.8619 117.5421 59.2908 32.3726 178.8844 90 L 3.9544 7.5781 121.0118 58.2711 42.2728 178.7193 91 T 3.9611 8.4122 115.9284 66.5458 68.2817 176.6029 92 A 3.9155 8.0215 122.5003 55.0553 18.4151 179.3307 93 A 4.1500 8.0890 118.5829 53.8488 18.3458 178.7403 94 S 4.7031 7.6907 110.7757 57.5647 63.9534 176.1220 95 I 3.6779 7.6055 124.7472 65.0475 36.5620 178.0712 96 T 3.9405 7.8833 113.2837 64.6237 67.2451 176.2996 97 A 4.0534 7.8479 122.6216 55.2722 18.3530 179.9011 98 V 3.6410 7.7661 109.7083 64.3323 31.6856 177.5043 99 C 4.4528 8.3157 114.3726 56.7757 40.6274 173.4284 100 R 3.6690 7.6706 118.8268 57.3441 27.8493 176.3785 101 L 4.8460 8.1277 117.6564 52.2447 43.1264 175.9788 102 P 4.2193 0.0000 0.0000 62.4971 32.3362 175.5162 103 I 4.6825 8.3374 114.1105 59.2414 41.4097 174.2113 104 V 4.2818 7.7181 116.5257 59.6494 32.2075 176.5227 105 V 3.6749 8.9403 127.5713 65.9732 31.8897 175.2317 106 D 4.3535 7.2371 118.5769 53.1029 41.5308 175.7487 107 A 4.2857 8.8815 120.1822 55.4850 18.7027 179.1545 108 S 4.1287 7.8531 110.3484 59.9068 62.8721 175.8825 109 G 3.7828 8.2886 107.8390 44.6644 0.0000 172.9322 110 D 4.3076 7.8178 120.3743 54.6882 41.5915 176.5474 111 G 4.1167 8.4359 110.0901 45.6673 0.0000 172.0784 112 A 4.5019 7.8557 120.5069 51.6442 23.1309 176.6585 113 Y 4.7629 8.6427 113.6431 57.5187 39.1920 176.1067 114 V 4.5354 7.4840 118.4180 59.4247 34.4979 176.1404 115 C 4.7075 9.1577 121.8866 55.2725 34.9406 174.9184 116 K 3.9474 8.4049 127.4158 59.6894 32.2098 178.6262 117 D 4.4381 8.0842 119.2896 56.4758 39.6792 178.3924 118 V 3.9200 7.9321 118.9661 65.6261 31.4573 177.7053 119 A 4.2703 8.0864 119.3449 54.1067 18.5864 178.3296 120 A 4.5149 7.7760 117.4363 50.7561 19.6135 175.8588 121 Y 4.2047 7.3152 119.6005 58.1990 39.1376 174.9751 122 P 3.5155 0.0000 0.0000 62.1985 31.0638 175.7701 123 D 4.3541 7.1036 118.4277 56.4613 41.2588 176.4845 124 A 4.1621 7.9396 129.1314 52.7701 18.4560 177.5742 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 5 M 8.30 4.14 0.00 1.09 1.80 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 6 C 8.11 4.34 0.00 3.19 3.24 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 7 Y 8.73 4.25 0.00 2.98 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 8 P 0.00 3.08 0.00 2.03 2.07 0.00 3.72 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 2.13 2.28 0.00 9 G 8.85 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 10 Q 7.42 4.27 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.52 0.00 11 A 8.12 4.20 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 12 F 7.04 5.07 0.00 3.21 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 13 Q 8.80 4.43 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 14 V 8.01 4.88 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 0.96 0.00 0.00 1.12 0.00 0.00 15 P 0.00 4.35 0.00 2.24 2.08 0.00 3.85 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 2.01 1.99 0.00 16 A 8.55 4.73 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 17 L 8.69 3.85 0.00 1.80 1.65 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.22 0.00 2.18 2.11 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 19 A 8.51 4.14 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 20 C 8.08 4.53 0.00 3.10 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 21 R 7.55 3.91 0.00 1.92 1.95 0.00 3.27 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 22 P 0.00 4.29 0.00 2.25 2.30 0.00 3.82 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 2.25 2.01 0.00 23 L 7.36 3.91 0.00 1.80 1.89 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.96 3.91 0.00 1.79 1.85 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.78 4.17 0.00 1.87 2.01 0.00 3.17 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 26 L 7.74 4.17 0.00 1.78 1.70 0.92 0.83 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 27 Q 8.31 4.05 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 28 C 8.19 4.55 0.00 3.05 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 29 N 7.61 4.89 0.00 2.81 3.05 0.00 0.00 6.07 7.00 0.00 0.00 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 8.26 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 31 S 7.65 4.32 0.00 4.02 3.82 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 32 Q 8.41 4.05 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 33 V 8.12 4.28 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 0.82 0.00 0.00 0.92 0.00 0.00 34 P 0.00 4.30 0.00 2.14 1.99 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 35 E 8.84 3.94 0.00 1.97 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 2.40 2.32 0.00 36 A 8.01 4.03 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 37 V 7.71 3.66 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 0.88 0.00 0.00 0.92 0.00 0.00 38 L 7.65 3.90 0.00 1.70 1.84 0.91 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 39 R 8.35 3.86 0.00 1.94 2.15 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 40 D 8.24 4.32 0.00 2.73 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 41 C 8.04 4.23 0.00 3.18 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 42 C 8.35 4.17 0.00 3.12 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 43 Q 8.05 3.84 0.00 1.98 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 44 Q 7.90 4.06 0.00 2.41 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 45 L 8.13 4.02 0.00 1.85 1.70 0.91 0.84 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 46 A 8.21 4.03 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 47 H 7.67 4.44 0.00 3.23 3.36 0.00 5.67 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 48 I 7.23 4.23 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 1.03 0.00 0.00 49 S 8.54 4.39 0.00 3.97 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 50 E 9.10 3.93 0.00 2.10 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 2.56 2.44 0.00 51 W 8.38 4.05 0.00 3.32 3.36 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 52 C 8.40 5.05 0.00 3.08 3.32 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 53 R 7.91 3.77 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.53 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 54 C 8.20 4.48 0.00 2.96 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 55 G 8.08 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 56 A 7.68 2.58 0.82 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 0.00 0.00 57 L 7.66 3.84 0.00 1.85 1.67 0.89 0.51 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 58 Y 8.11 3.72 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 S 8.25 4.25 0.00 4.19 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 60 M 8.09 3.96 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 61 L 7.85 3.77 0.00 1.58 1.30 0.56 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.96 4.55 0.00 2.99 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 63 S 8.30 4.16 0.00 4.04 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 64 M 8.03 3.95 0.00 1.65 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 65 Y 7.76 4.42 0.00 3.22 3.06 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 66 K 8.31 4.28 0.00 2.04 1.91 0.00 2.01 0.00 0.00 1.76 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.58 7.81 67 E 8.16 3.93 0.00 1.96 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 2.24 2.28 0.00 68 H 7.67 3.35 0.00 3.37 3.65 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 G 7.93 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 79 A 8.46 3.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.29 4.66 0.00 3.24 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 81 P 0.00 4.37 0.00 2.05 2.00 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 82 R 8.92 4.02 0.00 2.12 2.09 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 83 C 7.82 5.06 0.00 3.14 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 84 R 8.32 4.42 0.00 1.85 2.19 0.00 3.17 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 85 R 8.70 3.96 0.00 1.87 1.98 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 86 E 8.14 3.96 0.00 2.09 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 2.40 2.47 0.00 87 V 7.71 3.68 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 0.74 0.00 0.00 0.99 0.00 0.00 88 V 7.88 3.30 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 -0.02 0.00 0.00 0.63 0.00 0.00 89 K 7.86 3.98 0.00 2.26 2.09 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.69 1.45 7.81 90 L 7.58 3.95 0.00 1.89 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.41 3.96 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 1.15 0.00 0.00 92 A 8.02 3.92 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 93 A 8.09 4.15 1.49 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 94 S 7.69 4.70 0.00 3.97 4.02 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 95 I 7.61 3.68 1.84 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 0.74 0.89 0.00 0.00 96 T 7.88 3.94 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 1.28 0.00 0.00 97 A 7.85 4.05 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 98 V 7.77 3.64 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 0.79 0.00 0.00 0.96 0.00 0.00 99 C 8.32 4.45 0.00 3.11 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 0.00 100 R 7.67 3.67 0.00 1.99 1.95 0.00 3.18 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 101 L 8.13 4.85 0.00 1.68 1.62 0.95 1.19 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 0.00 102 P 0.00 4.22 0.00 1.75 1.33 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 103 I 8.34 4.68 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.85 0.00 0.00 104 V 7.72 4.28 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 -0.29 0.00 0.00 -0.65 0.00 0.00 105 V 8.94 3.67 1.97 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 0.70 0.00 0.00 0.88 0.00 0.00 106 D 7.24 4.35 0.00 2.89 2.66 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 0.00 107 A 8.88 4.29 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 0.00 108 S 7.85 4.13 0.00 3.94 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 0.00 109 G 8.29 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 0.00 0.00 0.00 110 D 7.82 4.31 0.00 2.56 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 0.00 111 G 8.44 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 0.00 112 A 7.86 4.50 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 0.00 113 Y 8.64 4.76 0.00 2.92 2.88 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 0.00 114 V 7.48 4.54 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 0.75 0.00 0.00 1.00 0.00 0.00 115 C 9.16 4.71 0.00 2.94 3.25 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 0.00 116 K 8.40 3.95 0.00 1.99 2.07 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 117 D 8.08 4.44 0.00 2.92 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 0.00 118 V 7.93 3.92 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 1.01 0.00 0.00 1.08 0.00 0.00 119 A 8.09 4.27 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 0.00 120 A 7.78 4.51 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 0.00 121 Y 7.32 4.20 0.00 3.08 2.88 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 0.00 122 P 0.00 3.52 0.00 1.79 0.93 0.00 3.63 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 123 D 7.10 4.35 0.00 2.85 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 0.00 124 A 7.94 4.16 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 * Residues marked with a * may have inaccurate shift predictions.