NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3213 8.2544 117.2972 56.1430 31.5153 176.5007 8 T 4.4665 7.5691 113.0052 59.8980 67.6871 175.2791 9 F 4.3269 8.0200 122.7991 62.0192 39.9757 176.5795 10 S 4.2638 8.2398 113.5816 61.3843 62.4393 176.0929 11 D 4.3241 8.0131 122.0820 57.3186 40.5991 178.5853 12 Q 3.9643 7.5859 117.1121 59.0272 28.4332 178.6308 13 T 3.4468 6.8180 115.1741 66.5888 68.5821 175.9411 14 E 4.0521 7.9149 118.7744 59.7174 29.9079 179.0047 15 E 4.2043 8.0532 118.2916 59.4154 29.4380 179.7150 16 I 3.5177 7.6772 118.8730 61.5065 37.1472 178.2390 *18 Q 4.2234 8.1015 119.9337 56.0894 30.7773 177.3985 19 A 4.0333 8.0416 119.4365 55.6862 18.3036 179.5127 20 T 3.5451 7.9638 114.0694 66.9204 68.4358 175.6449 21 Y 3.9996 8.0025 120.5569 61.3017 38.8786 178.6941 22 R 4.0006 8.5203 118.3940 59.1086 30.1261 179.0521 23 A 3.9906 8.1606 120.8999 54.8933 18.5328 179.4795 24 L 3.7938 8.0873 117.9023 58.0055 41.4624 179.6233 25 R 3.6880 7.6660 117.5168 59.3730 29.9526 177.8961 26 E 3.9656 7.7488 117.3746 59.1818 29.8754 177.6111 27 H 4.7329 8.4138 113.5375 54.3877 29.8870 176.0302 28 G 3.9280 7.8641 108.8751 44.6031 0.0000 173.2820 29 Y 4.0971 8.6929 118.3557 60.6333 38.8887 177.7947 30 A 3.7772 7.9378 121.4064 54.8751 18.4544 177.9544 31 D 4.7133 7.7079 111.9072 53.7952 41.3437 176.2413 32 L 4.1170 7.4176 122.3147 54.9848 42.7605 176.3791 33 T 4.6418 7.9590 113.6672 59.1879 71.9064 174.8603 34 I 3.5396 8.3956 126.0298 64.5585 37.2372 177.6530 35 Q 4.1799 7.5210 120.7414 59.6013 28.8302 179.0576 36 R 3.9529 8.1671 119.0633 59.0261 30.0803 178.6894 37 I 3.6395 7.8350 119.0573 64.6399 37.0572 177.8782 38 A 4.1430 8.9597 122.1180 55.4108 18.0117 178.9612 39 D 4.2911 8.4898 115.5958 57.7841 41.2919 178.2137 40 E 4.1746 8.1122 117.7169 58.8741 29.5737 178.0043 41 Y 4.4880 7.8723 119.2817 58.3950 39.0561 176.3479 42 G 3.8463 8.5835 107.4905 44.7141 0.0000 173.0650 43 K 4.3463 6.8599 117.6536 53.7966 34.7352 175.5013 44 S 4.1544 8.3597 114.2519 58.8227 63.0841 175.1900 45 T 3.8892 8.6779 118.8339 65.3217 67.0434 176.1510 46 A 4.2353 8.2581 121.8264 54.3214 18.1724 179.2017 47 A 4.1459 7.8242 118.9806 54.5540 18.6956 179.6776 48 V 3.9660 7.8695 117.6247 65.0277 31.8773 177.9514 49 H 5.3384 8.0214 116.4670 57.4689 28.5252 176.5693 50 Y 3.9556 7.7594 121.1950 60.1220 38.5822 175.9772 51 Y 4.1754 7.7899 115.8761 58.4243 39.5764 175.6793 52 Y 4.9795 7.4404 115.7627 56.3742 41.5681 175.6567 53 D 4.7137 8.9283 122.4669 55.8323 42.1759 177.3563 54 T 4.8030 7.5660 114.3608 60.2065 73.8373 174.1416 55 K 3.8578 8.7895 124.7752 60.2802 32.1237 178.6847 56 D 4.6029 8.1620 118.1599 57.5190 40.8047 178.2837 57 D 4.4598 8.1769 118.9349 57.3890 40.9237 178.4984 58 L 3.1042 7.9948 120.7097 57.9062 41.9932 178.9249 59 L 4.1454 8.3027 118.3905 56.9293 41.6118 179.2796 60 A 3.9563 8.2463 121.1274 55.0810 18.3736 179.2244 61 A 3.9795 7.8981 119.3612 55.5577 18.3873 179.6712 62 F 4.1412 8.1912 118.8917 61.1762 39.3560 177.3097 63 L 3.7298 8.1538 118.9251 57.9499 41.4674 179.0127 64 D 4.2910 8.0297 118.6597 57.5911 40.7351 178.4846 65 Y 3.9781 8.3639 120.1407 60.8223 38.8711 178.2719 66 L 3.6165 7.6162 119.8195 57.3919 41.5770 179.2973 67 L 3.8791 7.8869 120.5241 58.0119 41.9969 178.9297 68 E 3.7570 7.9044 118.4804 59.3480 29.3708 179.2960 69 R 3.6937 7.5148 118.0657 59.2271 30.1790 178.9346 70 F 4.0606 8.0043 120.0888 61.2194 39.4717 177.1141 71 V 3.2407 8.1307 118.1940 66.0584 30.9299 177.3369 72 D 4.2943 8.1046 117.6104 57.6946 40.9785 179.0103 73 S 4.1708 7.6513 113.8642 61.4374 62.8340 176.5549 74 I 3.5829 7.3033 123.1582 64.4156 36.6325 177.9706 75 H 4.2858 7.9376 115.6854 58.6762 28.4988 177.1520 76 D 4.7391 7.5974 120.3568 55.8396 40.8860 176.6198 77 V 3.8990 7.5955 119.4411 61.0698 30.4572 175.4003 78 E 4.3713 8.4404 123.8950 56.3221 29.8443 176.7859 79 T 3.9173 7.7297 114.8871 62.5084 67.7295 173.6178 80 T 4.2599 8.2657 121.6463 61.8685 68.4575 174.0049 81 D 4.3633 7.9634 121.0064 54.2930 41.9629 174.0911 82 P 4.2572 0.0000 0.0000 66.2218 31.1868 178.2034 83 E 4.1354 8.1004 117.6268 59.1831 29.6335 179.1616 84 A 4.0815 9.2324 121.2338 54.8657 18.2666 179.5808 85 R 3.9468 8.3912 117.8459 59.0209 30.2406 178.1003 86 L 3.9733 7.9985 120.2278 58.3738 42.0450 178.4413 87 N 4.2946 8.0376 115.6641 56.7144 38.5465 177.3678 88 L 3.9286 7.8993 119.8021 57.6754 41.6445 179.7418 89 L 4.0138 8.2426 119.1129 57.8512 41.6689 179.3636 90 L 4.0426 8.4043 119.2941 57.9472 41.5352 179.3036 91 D 4.3862 8.8740 119.2063 57.4998 40.5998 178.3690 92 E 3.9863 8.1703 118.3650 59.4442 29.6688 178.4568 93 L 4.3886 8.0236 117.2638 56.1421 41.9890 177.5940 94 L 4.6840 7.8809 116.5957 54.9414 44.5073 177.9842 95 V 4.0528 8.4595 111.8640 63.3240 32.3666 178.2569 96 K 3.8757 8.2816 118.8066 59.3197 32.1540 176.7753 97 P 4.5583 0.0000 0.0000 63.7999 31.2581 177.5579 98 Q 4.3645 8.0154 116.0092 56.9779 28.1761 176.1868 99 E 4.8050 8.0120 116.2819 55.9637 30.8445 175.6613 100 N 5.1562 8.1423 114.9242 51.7556 37.5032 174.5338 101 P 4.2882 0.0000 0.0000 66.6478 30.7658 177.7732 102 D 4.4276 8.0126 117.1754 56.8723 41.0133 178.1526 103 L 3.6983 7.8730 120.4111 58.2238 42.0524 179.0631 104 S 4.1361 8.0210 115.1929 61.4231 62.7480 176.5788 105 V 3.5348 7.4508 119.4630 66.0989 31.0271 177.7083 106 A 4.2006 7.2459 118.4340 55.5431 18.2932 179.3897 107 L 4.1546 7.8446 115.9848 57.7105 41.8495 179.2182 108 L 4.0693 7.9306 120.4128 57.8545 41.6804 179.0524 109 E 4.0568 7.9266 114.5959 57.5727 29.2558 178.8080 *111 R 3.6576 7.9342 120.7542 56.0596 31.8660 177.9812 112 S 4.1291 8.1657 111.1008 60.4487 63.1338 174.8485 113 Q 4.2396 7.6909 117.8501 55.8603 29.2995 177.1309 114 A 4.1315 7.8941 122.1262 55.0425 18.3801 177.6211 115 P 4.4374 0.0000 0.0000 64.1072 31.4022 176.2868 116 Y 4.8614 7.7764 115.0982 57.6986 39.4250 176.4911 117 K 4.3643 7.9305 120.3200 53.6926 35.6079 176.3459 118 E 3.9828 8.8832 124.9235 59.5265 29.6595 179.1575 119 A 3.8926 8.0131 120.0885 55.2139 18.2920 179.6575 120 F 4.3244 8.0896 115.7255 60.6914 39.2537 177.5587 121 S 4.2899 8.3092 112.7231 61.8682 62.2197 175.6568 122 D 4.4747 8.9194 122.0457 57.9363 40.6863 179.6109 123 R 3.9165 7.5546 116.7578 59.1823 30.1342 179.0642 124 F 4.3985 8.4593 117.8903 60.2435 38.8434 177.8999 125 R 3.9986 8.2977 118.7861 59.1103 29.8623 178.2341 126 Q 3.9687 8.0760 119.5167 59.1857 29.0801 177.6380 127 N 4.2425 8.0167 117.7108 56.8350 38.9148 175.8397 128 D 4.3653 8.1393 119.1734 57.7907 41.2912 178.2509 129 E 4.0128 8.9300 119.0916 59.6979 29.2153 178.8811 130 Y 4.0424 7.9769 118.5978 60.5563 38.9726 177.9818 131 V 3.8260 7.8048 118.0632 66.0191 31.9569 177.2980 132 R 4.1050 8.2092 118.8969 59.8616 29.8021 178.1850 133 Y 3.9869 8.3037 115.7365 58.6293 38.8087 177.5755 *135 L 4.2235 7.7930 118.9261 54.3436 43.8461 178.8407 136 K 3.7881 8.2759 119.1174 59.7079 31.8907 178.4505 137 A 3.8671 7.8662 121.0386 54.9467 18.2321 179.8991 138 V 3.7402 7.6710 117.1054 64.7035 31.9089 178.5209 139 I 4.0468 7.8170 120.4559 64.3889 36.8323 178.1661 140 N 4.3726 8.6598 117.7963 56.4132 38.3814 176.8122 141 H 4.2134 8.2874 119.8502 59.4271 29.9579 177.5579 142 G 2.9113 8.1106 107.3097 47.4049 0.0000 175.6831 143 I 4.0408 7.7183 123.4529 63.7679 36.9389 178.1392 144 D 4.3339 8.0841 118.5902 57.4918 40.8453 178.3974 145 E 4.1075 8.3674 116.3150 56.6996 29.5233 178.0495 146 G 3.8876 7.6502 107.2458 45.6234 0.0000 174.9859 147 V 3.6489 7.5743 120.3051 64.4513 31.4637 176.0475 148 F 5.5126 7.5321 117.4160 55.3951 42.1357 175.2928 149 T 3.9401 9.2810 120.2745 64.1135 69.1457 174.1941 150 D 4.6822 8.7847 125.2050 54.1092 40.8311 175.1697 151 V 4.4397 7.9451 123.9228 58.5823 34.8203 176.2925 152 D 4.4778 8.3841 118.1968 53.8540 40.3054 175.8309 153 A 3.9844 8.4159 129.1510 55.0965 18.6147 178.6437 154 E 3.9024 8.2668 116.5340 59.8886 29.5353 178.9553 155 H 4.2416 8.5731 118.1572 58.8510 30.0183 177.3105 156 V 3.7343 8.0742 120.4035 66.5321 31.3732 177.9919 157 T 3.9556 8.1574 112.6493 64.7621 67.1335 176.3009 158 R 3.8515 8.0788 120.9809 59.3399 30.0714 178.5266 159 S 3.8263 7.9741 114.8845 61.7260 62.7855 176.8961 160 L 3.9888 7.9096 121.1631 57.5289 41.1795 179.6399 161 L 3.9732 7.8168 119.3428 57.7910 41.4530 179.6325 162 T 3.7704 7.6767 115.7276 66.5972 68.4209 176.4944 163 I 3.6077 7.3986 121.6631 64.6633 37.2917 178.0969 164 I 3.6626 7.7955 120.1697 64.9289 36.9252 178.3784 165 D 4.4694 8.3890 119.4087 56.8109 40.5387 179.1484 166 G 3.5628 8.6199 106.7804 47.7500 0.0000 175.4217 167 A 4.0076 8.0233 123.9870 54.9986 17.8675 180.0338 168 R 3.8593 7.8917 116.0581 59.4632 29.8195 179.5824 169 T 3.8983 7.4052 115.1139 66.7364 68.6296 176.9829 170 R 4.0657 7.9328 118.3610 58.7411 30.3339 178.6534 171 A 4.9658 8.4623 122.7674 54.3738 18.3041 179.3167 172 V 4.0539 7.3288 115.9334 62.4104 32.0929 177.5818 *174 L 4.2474 7.7307 116.8662 54.2368 43.4978 176.2767 175 D 4.3314 8.1133 117.5885 54.7536 40.2105 173.8353 176 D 4.6210 8.2674 117.8424 52.2139 44.1912 175.3141 177 T 4.2540 8.5486 116.8287 63.1853 69.2234 176.2381 178 E 3.9840 8.5421 122.2473 59.4096 29.3741 178.7337 179 E 3.9492 8.2054 118.4780 59.3853 29.4786 179.1117 180 L 4.0611 7.7489 119.2328 57.5003 41.2924 179.0642 181 E 4.0132 8.0058 119.2769 59.3109 29.6136 178.7947 182 T 3.8829 8.2776 110.0487 64.7966 68.8450 176.4368 183 A 3.9577 8.0554 123.7834 54.6914 18.3234 179.3821 184 R 3.8061 8.4786 117.7496 59.7952 30.0532 178.5943 185 Q 3.9661 7.7534 118.7042 59.2803 29.0102 177.9434 186 T 3.9888 8.2539 116.9857 66.7644 68.5671 175.9558 187 A 4.0478 8.5997 122.7463 55.5856 18.2743 179.9359 188 S 4.0632 8.0986 113.2183 61.7569 62.9384 176.5878 189 E 3.9338 8.5289 121.6837 59.6589 29.0271 178.8407 190 Y 3.9854 8.4872 118.0374 60.7969 38.9739 177.7847 191 A 3.8767 7.9070 120.1876 55.1813 18.8732 179.0582 192 D 4.3859 8.2998 117.3634 56.9355 40.5976 178.3485 193 A 4.0880 7.3225 118.0675 52.8423 18.2650 178.0241 *195 L 4.1958 7.8247 122.2266 55.3629 43.6549 177.2774 196 Q 4.2995 7.7266 120.2671 55.9388 28.9654 175.2568 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 7 R 8.25 4.32 0.00 1.98 2.15 0.00 3.02 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 1.53 1.69 0.00 8 T 7.57 4.47 4.29 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 1.29 0.00 0.00 9 F 8.02 4.33 0.00 3.24 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 10 S 8.24 4.26 0.00 4.15 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 0.00 11 D 8.01 4.32 0.00 2.88 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 12 Q 7.59 3.96 0.00 1.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 13 T 6.82 3.45 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 14 E 7.91 4.05 0.00 2.06 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 2.42 2.55 0.00 15 E 8.05 4.20 0.00 2.35 2.29 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 2.41 2.42 0.00 16 I 7.68 3.52 1.77 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 0.25 -0.36 0.80 0.00 0.00 *18 Q 8.10 4.22 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 19 A 8.04 4.03 1.50 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 0.00 0.00 20 T 7.96 3.55 3.85 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 0.61 0.00 0.00 21 Y 8.00 4.00 0.00 3.53 3.31 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 22 R 8.52 4.00 0.00 2.12 2.16 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 23 A 8.16 3.99 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 24 L 8.09 3.79 0.00 1.62 1.53 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.67 3.69 0.00 1.29 1.92 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 26 E 7.75 3.97 0.00 1.91 1.59 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 2.18 2.24 0.00 27 H 8.41 4.73 0.00 3.14 3.26 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.86 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 0.00 0.00 0.00 29 Y 8.69 4.10 0.00 3.14 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 30 A 7.94 3.78 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 31 D 7.71 4.71 0.00 2.84 2.61 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 32 L 7.42 4.12 0.00 1.74 1.37 0.80 0.67 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 33 T 7.96 4.64 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 1.13 0.00 0.00 34 I 8.40 3.54 1.85 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 1.53 1.13 0.73 0.00 0.00 35 Q 7.52 4.18 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 36 R 8.17 3.95 0.00 1.90 1.92 0.00 3.07 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 37 I 7.84 3.64 2.05 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 1.47 0.65 0.84 0.00 0.00 38 A 8.96 4.14 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 39 D 8.49 4.29 0.00 2.64 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 40 E 8.11 4.17 0.00 2.25 2.04 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 2.37 2.47 0.00 41 Y 7.87 4.49 0.00 2.83 3.17 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 42 G 8.58 3.85 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 0.00 0.00 0.00 43 K 6.86 4.35 0.00 0.97 1.67 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.18 1.23 7.81 44 S 8.36 4.15 0.00 3.85 3.79 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 T 8.68 3.89 4.27 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 1.26 0.00 0.00 46 A 8.26 4.24 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 47 A 7.82 4.15 1.57 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 0.00 0.00 48 V 7.87 3.97 2.12 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 0.99 0.00 0.00 0.97 0.00 0.00 49 H 8.02 5.34 0.00 3.23 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.76 3.96 0.00 2.93 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 51 Y 7.79 4.18 0.00 2.35 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 0.00 0.00 0.00 52 Y 7.44 4.98 0.00 3.04 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 53 D 8.93 4.71 0.00 2.71 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 54 T 7.57 4.80 4.56 0.00 0.00 0.00 0.00 0.00 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 55 K 8.79 3.86 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.57 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.58 1.54 7.81 56 D 8.16 4.60 0.00 2.79 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 57 D 8.18 4.46 0.00 3.07 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 58 L 7.99 3.10 0.00 1.74 1.74 0.87 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.30 4.15 0.00 1.97 1.62 1.26 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.25 3.96 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 61 A 7.90 3.98 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 62 F 8.19 4.14 0.00 3.01 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 63 L 8.15 3.73 0.00 1.64 1.37 -0.05 1.02 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 64 D 8.03 4.29 0.00 2.94 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 65 Y 8.36 3.98 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 74 I 7.30 3.58 1.84 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.35 0.90 0.00 0.00 75 H 7.94 4.29 0.00 3.28 3.33 0.00 5.66 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 76 D 7.60 4.74 0.00 2.87 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 77 V 7.60 3.90 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 0.69 0.00 0.00 0.96 0.00 0.00 78 E 8.44 4.37 0.00 1.97 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 2.25 2.28 0.00 79 T 7.73 3.92 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 80 T 8.27 4.26 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 1.20 0.00 0.00 81 D 7.96 4.36 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 1.55 2.11 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 83 E 8.10 4.14 0.00 2.09 2.17 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 2.33 2.55 0.00 84 A 9.23 4.08 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 85 R 8.39 3.95 0.00 2.07 1.97 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 86 L 8.00 3.97 0.00 2.10 1.88 0.94 0.60 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 87 N 8.04 4.29 0.00 2.84 2.90 0.00 0.00 7.14 6.32 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 88 L 7.90 3.93 0.00 2.03 1.73 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.24 4.01 0.00 2.03 1.78 0.96 0.85 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 90 L 8.40 4.04 0.00 1.81 1.75 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.30 4.00 0.00 1.96 2.13 0.00 3.14 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 1.67 1.67 0.00 126 Q 8.08 3.97 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 127 N 8.02 4.24 0.00 3.01 2.99 0.00 0.00 6.90 8.32 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 0.00 128 D 8.14 4.37 0.00 2.99 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 0.00 129 E 8.93 4.01 0.00 2.20 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 0.00 2.63 2.52 0.00 130 Y 7.98 4.04 0.00 3.03 3.27 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 0.00 131 V 7.80 3.83 2.26 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 0.90 0.00 0.00 1.02 0.00 0.00 132 R 8.21 4.10 0.00 2.05 2.20 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 133 Y 8.30 3.99 0.00 3.09 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 *135 L 7.79 4.22 0.00 1.87 1.74 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.28 3.79 0.00 1.83 1.69 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.45 7.81 137 A 7.87 3.87 1.02 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 0.00 0.00 138 V 7.67 3.74 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 0.99 0.00 0.00 1.07 0.00 0.00 139 I 7.82 4.05 2.03 0.00 0.00 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 1.42 0.83 0.94 0.00 0.00 140 N 8.66 4.37 0.00 2.76 2.85 0.00 0.00 6.64 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 0.00 141 H 8.29 4.21 0.00 3.31 3.48 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.11 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 0.00 0.00 0.00 143 I 7.72 4.04 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.38 0.93 0.00 0.00 144 D 8.08 4.33 0.00 2.76 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 0.00 145 E 8.37 4.11 0.00 1.63 1.84 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 2.15 2.16 0.00 146 G 7.65 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 0.00 147 V 7.57 3.65 1.48 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 0.50 0.00 0.00 0.73 0.00 0.00 148 F 7.53 5.51 0.00 2.95 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 0.00 149 T 9.28 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 1.21 0.00 0.00 150 D 8.78 4.68 0.00 2.70 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 0.00 151 V 7.95 4.44 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 0.77 0.00 0.00 0.92 0.00 0.00 152 D 8.38 4.48 0.00 2.74 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 0.00 153 A 8.42 3.98 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 0.00 154 E 8.27 3.90 0.00 2.11 2.04 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 2.41 2.33 0.00 155 H 8.57 4.24 0.00 3.38 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.07 3.73 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 0.97 0.00 0.00 0.99 0.00 0.00 157 T 8.16 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 1.27 0.00 0.00 158 R 8.08 3.85 0.00 1.95 2.07 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 159 S 7.97 3.83 0.00 4.06 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 0.00 160 L 7.91 3.99 0.00 1.82 1.72 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.82 3.97 0.00 1.91 1.67 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.68 3.77 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 1.13 0.00 0.00 163 I 7.40 3.61 1.92 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.43 0.88 0.00 0.00 164 I 7.80 3.66 1.98 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 1.83 1.40 0.88 0.00 0.00 165 D 8.39 4.47 0.00 2.62 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 0.00 166 G 8.62 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.02 4.01 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 0.00 168 R 7.89 3.86 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 169 T 7.41 3.90 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 1.17 0.00 0.00 170 R 7.93 4.07 0.00 1.81 2.04 0.00 3.14 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 171 A 8.46 4.97 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 0.00 172 V 7.33 4.05 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 0.85 0.00 0.00 0.92 0.00 0.00 *174 L 7.73 4.25 0.00 1.85 1.78 0.98 1.14 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 0.00 175 D 8.11 4.33 0.00 2.69 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 0.00 176 D 8.27 4.62 0.00 2.84 2.44 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 0.00 177 T 8.55 4.25 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 1.22 0.00 0.00 178 E 8.54 3.98 0.00 2.44 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 2.43 2.50 0.00 179 E 8.21 3.95 0.00 2.04 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 2.47 2.49 0.00 180 L 7.75 4.06 0.00 1.66 1.86 0.93 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 0.00 181 E 8.01 4.01 0.00 2.24 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 2.38 2.43 0.00 182 T 8.28 3.88 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 1.25 0.00 0.00 183 A 8.06 3.96 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 0.00 184 R 8.48 3.81 0.00 2.02 2.15 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 185 Q 7.75 3.97 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 186 T 8.25 3.99 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 1.21 0.00 0.00 187 A 8.60 4.05 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 0.00 188 S 8.10 4.06 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 0.00 189 E 8.53 3.93 0.00 2.15 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 2.41 0.00 190 Y 8.49 3.99 0.00 2.90 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 0.00 191 A 7.91 3.88 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 0.00 192 D 8.30 4.39 0.00 2.73 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 0.00 193 A 7.32 4.09 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 *195 L 7.82 4.20 0.00 1.59 1.32 0.68 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 7.73 4.30 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.