NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9702 8.3393 109.7355 45.3226 0.0000 173.9574 4 I 3.6858 8.3866 119.6457 61.5468 38.0843 175.0690 5 N 4.7243 7.7132 117.4488 52.1641 39.1955 176.4016 6 T 4.2370 8.5701 110.8705 61.3283 71.1048 175.4286 7 D 4.3616 8.5571 120.9019 57.7596 40.7473 179.3590 8 T 3.8557 7.7874 115.7221 66.7841 68.6028 176.4845 9 E 3.9957 8.2190 120.4483 59.3993 29.3765 179.2356 10 N 4.3276 8.3540 116.6654 56.2796 38.5686 177.4928 11 I 3.6932 7.9414 121.2730 64.4330 37.2157 178.5124 12 S 4.1074 8.1129 115.8838 61.8016 62.7205 176.6821 13 E 3.9624 8.0846 121.0459 59.3006 29.1067 179.2984 14 L 3.7327 8.0416 120.3565 58.1205 42.1558 179.0653 15 L 4.2529 8.5173 121.9013 58.2449 41.4587 180.2718 16 K 4.0897 8.5990 124.1715 60.0200 31.5843 181.5708 17 T 4.1020 8.0144 117.1503 66.7952 68.3580 176.2632 18 Y 4.4342 8.1871 118.9164 61.1166 37.8946 178.7019 19 W 4.1683 8.6693 129.2253 60.4964 30.7887 178.0180 20 S 3.9921 8.6404 113.3244 61.3349 61.8814 176.0934 21 I 3.7867 8.1770 125.1373 65.2305 36.9164 179.0704 22 Q 3.9976 8.3849 121.8031 60.0895 27.6529 180.3466 23 R 3.7504 7.3970 119.7101 59.2325 30.1909 178.4675 24 I 3.7310 7.6542 119.5351 64.5031 37.1117 178.6021 25 S 4.3191 8.5792 116.1977 61.5720 62.5535 176.6588 26 A 4.0950 8.1351 123.7356 54.8892 18.0241 179.9355 27 G 3.3008 7.7137 104.2168 48.2005 0.0000 175.6648 28 Y 4.2331 7.6726 118.4296 60.4371 37.9685 178.0508 29 A 4.1003 8.0586 122.1566 54.9284 18.4345 179.3999 30 D 4.2098 8.1202 117.5518 57.7529 40.9774 178.9179 31 Q 3.7386 7.8012 118.4317 58.9479 28.2378 178.6709 32 N 4.6163 8.2080 117.7860 56.5124 39.0183 176.9032 33 A 3.8725 7.9567 122.0073 55.1575 18.5604 179.3500 34 A 4.0452 8.4058 120.0085 55.4090 18.2128 179.9468 35 S 4.2645 8.1524 111.2844 60.7138 63.1967 175.6663 36 L 4.4903 7.3574 120.5954 54.5341 41.9344 177.2668 37 G 3.9632 8.1282 107.3448 45.0496 0.0000 172.9631 38 L 4.9722 7.6142 118.2491 52.4666 44.9914 176.8020 39 T 4.3650 8.3479 111.4287 60.8441 71.3686 175.8343 40 I 3.6849 8.0862 120.7942 64.3023 37.7660 177.9070 41 Q 4.0127 7.9475 117.6673 59.0731 28.6998 178.2135 42 Q 4.1348 8.1100 118.2942 58.7956 29.0208 178.3419 43 L 4.1465 8.1249 121.2312 57.8247 42.1007 179.4647 44 A 4.0503 8.1737 118.0910 52.9633 18.1220 179.0813 *46 I 4.0983 7.7198 123.2407 63.0365 39.4366 178.0946 47 N 4.3860 8.3162 117.6569 56.1600 38.2630 177.6791 48 V 3.6097 7.9911 119.7059 66.2190 31.4514 178.2395 49 I 3.7627 7.7281 117.7556 64.2809 37.0156 177.2971 50 Y 4.1491 8.2174 120.4303 60.8205 38.7582 178.1894 51 S 4.3799 8.1181 113.7596 60.2535 64.8229 174.5116 52 T 4.5944 7.8521 118.5665 60.3962 68.4226 171.0078 53 P 4.3695 0.0000 0.0000 64.1141 32.1409 177.9486 54 G 3.9033 9.1887 110.5397 44.9982 0.0000 173.5229 55 I 3.7152 7.4831 120.7722 61.0804 38.6951 175.5398 56 S 4.9412 8.3258 121.4450 57.7046 65.5232 175.5716 57 V 3.5690 8.4729 122.1036 65.9161 31.0857 178.0970 58 A 3.9851 8.0137 120.2112 55.4803 18.2594 179.1524 59 D 4.3451 7.9603 117.1149 56.8261 41.0621 178.8270 60 L 3.9571 8.1061 121.4161 58.2163 42.2356 178.9348 61 T 3.8620 8.1510 110.0354 65.1040 68.4382 176.4137 62 K 3.9906 7.7855 122.0202 58.8306 31.8399 179.2977 63 R 3.9859 8.0085 117.8035 58.4364 30.1042 177.5223 64 L 4.3162 7.5787 116.2386 53.6071 43.2118 175.9807 65 I 3.2302 7.3578 119.1803 62.2767 34.6231 171.7350 66 I 4.7002 7.5086 111.3350 59.1065 41.5283 175.3438 67 T 4.2661 7.8759 116.7657 62.9615 69.1410 176.5225 68 G 3.6671 8.4885 109.2186 47.8669 0.0000 176.4305 69 S 4.1952 7.9946 117.3100 61.4210 62.8816 176.6169 70 S 4.1952 8.0156 116.3486 61.1711 62.9821 176.2553 71 A 3.9619 8.0414 124.0846 54.8253 18.1520 179.4913 72 A 3.9284 8.4242 119.6297 54.9823 18.3260 179.8235 73 A 3.9529 7.9751 119.3342 55.3883 18.4433 179.6359 74 N 4.2641 8.3894 115.2482 56.3314 38.5311 177.8245 75 V 3.6301 8.2432 122.4114 66.7407 31.5723 178.2945 76 D 4.5077 8.2277 120.9562 58.5156 39.5753 180.6538 77 G 3.7983 8.3415 107.4402 47.7279 0.0000 175.8975 78 L 4.0877 8.1886 121.5670 57.4405 41.6772 179.6704 79 I 3.7717 8.2027 120.3938 64.4021 36.7788 178.5792 80 S 4.1735 8.0631 115.4581 61.4620 62.7919 176.0658 81 L 4.3137 7.8317 118.8833 54.6930 41.5005 177.5286 82 G 3.9051 7.6626 106.8114 46.4484 0.0000 174.5854 83 L 4.5246 7.9612 120.7552 55.2505 43.0789 176.8312 84 V 5.0189 7.6624 109.9909 59.7137 36.1777 175.0734 85 V 4.5940 8.8599 114.9111 59.5291 36.0554 174.9810 86 K 4.7344 8.5613 122.8304 56.0980 32.3506 177.2789 87 L 4.2429 8.9657 125.1515 56.2104 42.3643 176.7534 88 N 4.7844 7.9258 116.7099 51.9889 41.3892 174.7252 89 K 4.4775 8.6927 132.0147 57.3929 32.1649 177.1207 90 T 4.2437 7.6379 113.3737 63.1218 70.7662 178.3852 *97 D 4.6620 7.8545 117.6110 51.8684 42.2294 177.3679 98 L 4.3423 7.7303 121.1330 56.3307 43.3469 175.6268 99 T 5.1734 8.4942 114.8365 60.1188 72.0447 172.8168 100 L 5.4781 8.5855 122.0429 53.4068 46.8114 175.1995 101 K 4.8908 8.5635 118.7289 55.5334 36.5962 175.1323 102 L 4.8834 8.3827 120.5570 54.3424 42.9715 177.2511 103 S 4.4703 8.4717 117.3907 57.3821 64.8965 175.0551 104 K 3.9813 8.6832 119.6628 59.4960 31.9046 178.3897 105 K 4.0752 8.0990 119.7697 59.3364 32.1917 178.9458 106 G 3.6466 7.9413 105.7571 47.7614 0.0000 175.6675 107 E 4.2246 8.4902 123.5227 59.8367 29.5116 179.7042 108 D 4.3910 8.2752 121.2099 58.5566 39.8993 180.6378 109 L 4.1926 7.8331 120.3710 57.4556 41.3499 179.5694 110 S 3.9965 7.8346 112.3203 61.2108 62.6149 176.0898 111 K 3.9374 7.9680 121.1153 59.5620 31.5189 179.4031 112 R 3.9197 8.0480 118.5329 59.3704 29.7758 179.2048 113 S 4.2121 7.9855 112.9204 61.1864 62.9141 176.3306 114 T 4.2098 7.7188 113.1425 63.2110 68.7433 174.0387 115 A 4.2530 7.3734 124.8570 50.5792 18.1050 176.4256 116 N 4.6822 8.5788 121.2654 52.7180 38.2570 174.4644 117 A 4.0210 8.3565 129.3214 55.0521 18.9798 179.5319 118 F 4.2220 8.1687 111.9206 58.7080 38.4226 176.7931 *120 Y 4.2062 8.0638 122.7324 58.6136 39.5555 177.4970 121 K 4.0233 7.9544 119.6168 57.5204 32.3133 180.0852 122 A 4.2372 7.3031 123.4329 51.9312 15.8270 177.5772 *125 K 4.4529 7.8794 121.9031 55.7876 35.0601 179.0536 126 V 3.7197 7.7370 118.0956 66.0100 31.8456 178.1019 127 F 4.2676 8.5215 118.0792 60.5601 38.9279 177.2948 128 E 4.0987 7.9117 118.5866 58.7478 29.3111 177.4193 129 N 4.9283 8.0701 114.6039 52.6166 38.8288 174.3418 130 L 4.9421 7.5631 117.8963 52.6819 45.0479 177.0883 131 T 4.3000 9.1005 112.2997 60.9175 71.3498 175.5560 132 E 3.8297 8.6312 122.4739 59.8340 29.5822 179.0368 133 N 4.3790 8.0446 115.8408 56.1184 38.6033 177.1861 134 E 3.9187 8.0646 120.2540 59.2491 29.5551 179.1673 135 I 3.3290 7.6746 119.8314 64.3363 37.1532 177.9663 136 E 3.9275 8.0463 119.1381 59.8413 29.3068 179.6767 137 E 3.9376 8.1104 118.1742 59.1717 29.5949 178.8957 138 L 3.9370 8.4506 120.7454 58.3979 42.0525 179.2765 139 I 3.7432 7.7519 119.4557 64.4305 37.0790 178.4781 140 R 3.9144 7.9739 119.5904 59.4101 29.9054 178.5898 141 L 4.0580 8.3387 119.2529 57.7171 41.5937 179.2105 142 N 4.4525 8.1098 116.0339 56.3771 38.5591 177.6421 143 K 4.0432 8.1142 119.8874 59.2498 32.0152 179.3602 144 K 3.9821 8.0349 120.1476 59.2568 32.0312 179.1054 145 V 3.5754 7.7698 118.5961 65.9347 31.5287 177.3136 146 E 3.9058 8.5171 119.7288 59.8118 29.2200 179.0780 147 T 3.9220 7.7771 108.0372 64.8147 68.6138 176.2073 148 L 4.1516 8.2245 121.9054 57.3640 41.3694 179.4323 149 L 4.0574 8.0160 118.7230 57.5975 41.7080 179.2474 150 K 4.1906 8.1168 116.9161 57.8487 31.9837 177.1632 151 K 4.1896 7.6123 122.8147 56.8763 32.6918 175.8977 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 3 G 8.34 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 4 I 8.39 3.69 1.87 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 1.46 0.74 0.91 0.00 0.00 5 N 7.71 4.72 0.00 2.87 2.89 0.00 0.00 6.05 7.71 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 6 T 8.57 4.24 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 1.24 0.00 0.00 7 D 8.56 4.36 0.00 2.78 2.76 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 0.00 0.00 0.00 0.00 8 T 7.79 3.86 4.23 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 1.20 0.00 0.00 9 E 8.22 4.00 0.00 2.14 1.99 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 2.32 2.34 0.00 10 N 8.35 4.33 0.00 2.96 2.85 0.00 0.00 6.99 6.90 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 11 I 7.94 3.69 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 1.54 0.72 0.93 0.00 0.00 12 S 8.11 4.11 0.00 4.02 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 13 E 8.08 3.96 0.00 2.27 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 0.00 2.33 2.19 0.00 14 L 8.04 3.73 0.00 1.73 1.76 0.32 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.52 4.25 0.00 1.73 1.78 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.60 4.09 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 17 T 8.01 4.10 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 1.18 0.00 0.00 18 Y 8.19 4.43 0.00 3.05 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 19 W 8.67 4.17 0.00 3.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.64 3.99 0.00 4.27 4.08 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 21 I 8.18 3.79 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 0.96 0.00 0.00 22 Q 8.38 4.00 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 23 R 7.40 3.75 0.00 0.83 1.67 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 24 I 7.65 3.73 2.01 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 1.47 1.29 1.02 0.00 0.00 25 S 8.58 4.32 0.00 3.96 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 26 A 8.14 4.10 1.28 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 0.00 0.00 27 G 7.71 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 0.00 0.00 0.00 28 Y 7.67 4.23 0.00 3.19 3.01 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 29 A 8.06 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.21 0.00 2.80 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 31 Q 7.80 3.74 0.00 1.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 32 N 8.21 4.62 0.00 3.37 3.04 0.00 0.00 7.10 8.23 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 33 A 7.96 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.05 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 35 S 8.15 4.26 0.00 4.24 4.38 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 36 L 7.36 4.49 0.00 1.81 1.76 0.96 0.97 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 37 G 8.13 3.96 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 0.00 0.00 0.00 38 L 7.61 4.97 0.00 1.62 1.55 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.35 4.36 4.37 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 1.20 0.00 0.00 40 I 8.09 3.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.35 0.89 0.00 0.00 41 Q 7.95 4.01 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 42 Q 8.11 4.13 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 43 L 8.12 4.15 0.00 1.85 1.83 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.17 4.05 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 *46 I 7.72 4.10 2.04 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 1.61 0.99 0.93 0.00 0.00 47 N 8.32 4.39 0.00 2.91 2.88 0.00 0.00 6.67 7.11 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 48 V 7.99 3.61 2.11 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 1.05 0.00 0.00 0.99 0.00 0.00 49 I 7.73 3.76 2.03 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 0.67 0.93 0.00 0.00 50 Y 8.22 4.15 0.00 3.05 3.22 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 0.00 51 S 8.12 4.38 0.00 4.13 4.08 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 52 T 7.85 4.59 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 53 P 0.00 4.37 0.00 2.12 1.99 0.00 3.79 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 1.91 1.83 0.00 54 G 9.19 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 0.00 0.00 0.00 55 I 7.48 3.72 2.02 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 1.36 1.33 0.93 0.00 0.00 56 S 8.33 4.94 0.00 4.09 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 57 V 8.47 3.57 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 1.09 0.00 0.00 1.00 0.00 0.00 58 A 8.01 3.99 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.96 4.35 0.00 2.65 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 60 L 8.11 3.96 0.00 1.90 1.85 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.15 3.86 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 1.30 0.00 0.00 62 K 7.79 3.99 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.55 7.81 63 R 8.01 3.99 0.00 1.99 2.13 0.00 3.25 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 64 L 7.58 4.32 0.00 1.82 1.70 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.36 3.23 1.88 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 1.46 0.36 0.92 0.00 0.00 66 I 7.51 4.70 1.87 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 1.45 0.66 0.95 0.00 0.00 67 T 7.88 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 1.21 0.00 0.00 68 G 8.49 3.67 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 0.00 0.00 0.00 69 S 7.99 4.20 0.00 3.88 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 70 S 8.02 4.20 0.00 4.05 4.11 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 71 A 8.04 3.96 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 72 A 8.42 3.93 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 73 A 7.98 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.39 4.26 0.00 2.97 2.88 0.00 0.00 6.69 7.94 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 75 V 8.24 3.63 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 1.07 0.00 0.00 0.96 0.00 0.00 76 D 8.23 4.51 0.00 2.74 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 77 G 8.34 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 78 L 8.19 4.09 0.00 1.84 1.74 0.93 0.74 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 79 I 8.20 3.77 2.01 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 1.53 1.25 0.91 0.00 0.00 80 S 8.06 4.17 0.00 4.00 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 81 L 7.83 4.31 0.00 1.64 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.66 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 83 L 7.96 4.52 0.00 1.74 1.73 0.93 0.63 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 84 V 7.66 5.02 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 0.74 0.00 0.00 0.92 0.00 0.00 85 V 8.86 4.59 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 0.93 0.00 0.00 86 K 8.56 4.73 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 87 L 8.97 4.24 0.00 1.49 1.71 0.95 0.90 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 88 N 7.93 4.78 0.00 2.61 2.65 0.00 0.00 6.97 6.68 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 89 K 8.69 4.48 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 90 T 7.64 4.24 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 *97 D 7.85 4.66 0.00 2.72 2.65 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 98 L 7.73 4.34 0.00 1.77 1.56 0.92 0.69 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 99 T 8.49 5.17 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 1.31 0.00 0.00 100 L 8.59 5.48 0.00 1.59 1.53 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.56 4.89 0.00 1.79 1.84 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 102 L 8.38 4.88 0.00 1.62 1.70 1.19 0.99 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 0.00 103 S 8.47 4.47 0.00 3.93 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 0.00 104 K 8.68 3.98 0.00 1.90 1.86 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.57 7.81 105 K 8.10 4.08 0.00 1.91 1.95 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 106 G 7.94 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 0.00 107 E 8.49 4.22 0.00 2.28 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 0.00 2.61 2.61 0.00 108 D 8.28 4.39 0.00 2.69 2.68 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 0.00 0.00 0.00 109 L 7.83 4.19 0.00 1.72 1.73 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.83 4.00 0.00 3.91 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 0.00 111 K 7.97 3.94 0.00 1.94 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.44 7.81 112 R 8.05 3.92 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 113 S 7.99 4.21 0.00 4.03 4.07 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 0.00 114 T 7.72 4.21 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 1.15 0.00 0.00 115 A 7.37 4.25 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 0.00 116 N 8.58 4.68 0.00 2.79 2.90 0.00 0.00 7.18 7.96 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 0.00 117 A 8.36 4.02 0.99 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 0.00 118 F 8.17 4.22 0.00 3.42 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 *120 Y 8.06 4.21 0.00 2.85 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 0.00 121 K 7.95 4.02 0.00 1.81 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 122 A 7.30 4.24 0.83 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 0.00 0.00 *125 K 7.88 4.45 0.00 2.02 1.93 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.61 7.81 126 V 7.74 3.72 2.21 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 1.11 0.00 0.00 1.05 0.00 0.00 127 F 8.52 4.27 0.00 3.03 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 0.00 128 E 7.91 4.10 0.00 2.32 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 2.38 2.34 0.00 129 N 8.07 4.93 0.00 2.87 2.82 0.00 0.00 6.78 7.14 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 0.00 130 L 7.56 4.94 0.00 1.41 1.38 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 T 9.10 4.30 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 1.25 0.00 0.00 132 E 8.63 3.83 0.00 2.12 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 0.00 2.38 1.98 0.00 133 N 8.04 4.38 0.00 2.74 2.82 0.00 0.00 7.16 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 0.00 134 E 8.06 3.92 0.00 2.13 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 2.28 2.30 0.00 135 I 7.67 3.33 1.80 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 0.41 0.38 0.52 0.00 0.00 136 E 8.05 3.93 0.00 2.14 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 2.32 2.49 0.00 137 E 8.11 3.94 0.00 2.07 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 0.00 2.41 2.44 0.00 138 L 8.45 3.94 0.00 1.80 1.89 0.95 1.00 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 0.00 139 I 7.75 3.74 2.02 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 1.69 0.70 0.94 0.00 0.00 140 R 7.97 3.91 0.00 2.01 1.92 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 141 L 8.34 4.06 0.00 1.80 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.11 4.45 0.00 2.90 2.93 0.00 0.00 7.02 7.84 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 0.00 143 K 8.11 4.04 0.00 2.04 1.88 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.60 7.81 144 K 8.03 3.98 0.00 2.03 1.98 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 145 V 7.77 3.58 2.34 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 1.13 0.00 0.00 1.11 0.00 0.00 146 E 8.52 3.91 0.00 2.11 2.11 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 2.30 2.31 0.00 147 T 7.78 3.92 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 1.24 0.00 0.00 148 L 8.22 4.15 0.00 1.91 1.77 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.02 4.06 0.00 1.82 1.73 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.12 4.19 0.00 1.88 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 151 K 7.61 4.19 0.00 1.83 1.72 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.