NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2336 8.2516 119.7606 55.2060 34.4741 176.3014 2 L 4.2997 7.8150 119.1736 56.3408 42.6222 176.5969 3 N 4.3264 8.8402 117.6370 56.2012 38.8633 176.3413 4 Q 3.9733 8.1763 119.0625 59.2037 28.8467 179.0889 5 L 3.8037 7.8030 120.3828 57.9449 42.1532 178.0502 6 D 4.2742 8.0653 118.0176 57.5398 41.1521 178.0641 7 N 4.2556 8.2542 116.8073 56.2375 38.5735 177.1093 8 L 3.8936 7.5898 121.4064 58.5582 41.9899 178.8685 9 T 3.8301 8.0230 114.5632 66.8957 68.6483 176.1189 10 E 4.0541 8.2759 120.1436 59.4049 29.4002 179.1257 11 R 3.8085 7.5544 117.7443 59.5467 30.6257 178.0110 12 V 4.0541 7.7296 109.9719 60.5032 32.2908 176.0325 13 R 4.3162 6.4486 118.4537 57.1946 30.2643 176.6060 14 G 4.0089 8.5964 110.5137 45.8622 0.0000 174.7487 15 S 4.2902 7.3634 115.8890 59.4315 63.8460 173.6691 16 N 5.0391 7.6004 116.8732 51.4739 42.2510 175.7184 17 K 3.9968 8.5329 126.9839 59.6591 32.3818 179.3685 18 L 4.0052 7.9530 120.1035 58.0031 41.9389 179.0509 19 V 3.8396 7.8275 117.8081 66.1283 31.4978 177.6134 20 D 4.3743 8.0542 118.2048 57.4344 40.7301 178.7341 21 R 4.0000 8.1905 118.5816 59.2107 30.1497 178.6799 22 W 4.6044 8.4512 127.7981 60.9483 30.5991 178.0201 23 L 3.8046 8.4744 119.0703 57.7244 40.9364 179.0745 24 H 4.0354 8.3423 118.4053 59.1432 29.8472 177.3461 25 V 3.6990 8.0089 120.0341 66.3211 31.3703 177.7940 26 R 3.7760 8.2918 118.2872 59.2397 29.6352 178.4114 27 K 3.8168 7.6699 119.1388 59.8691 32.3188 178.2487 28 H 4.2326 7.9582 116.5062 59.0698 28.5759 177.3804 29 L 4.0250 7.9613 123.0281 57.6316 42.0288 178.4652 30 L 3.9302 8.0465 120.3846 58.2954 41.9459 179.1838 31 V 3.6969 8.3339 118.0263 66.1297 31.1830 177.6152 32 A 4.1187 8.0561 120.4270 55.5672 17.7723 178.9219 33 Y 3.3386 8.4998 118.1743 61.0136 38.7918 178.0635 34 Y 4.1702 8.0339 117.4527 60.8533 37.7605 177.8209 35 N 4.3904 8.2037 116.7050 55.6978 38.6346 176.5658 36 L 4.1729 7.0812 119.8122 57.2317 42.3333 178.2951 37 V 3.7504 7.1416 117.0694 63.6330 32.8657 176.7060 38 G 4.0028 7.8174 109.6769 43.8153 0.0000 173.3461 39 I 4.4808 7.3956 120.4103 60.0460 41.1739 176.7749 40 K 3.8874 8.8050 129.4075 54.4488 32.1197 171.8280 41 P 4.1164 0.0000 0.0000 62.4030 32.2036 177.2262 42 G 4.0584 7.9810 117.2873 45.5334 0.0000 177.1736 *50 N 4.5793 8.4721 114.7270 52.1768 38.0136 172.2715 51 E 4.6483 7.8652 122.0722 56.0218 32.1542 178.1182 52 K 4.0775 8.0819 122.7339 60.0012 32.0494 183.9098 53 A 4.2066 7.9555 121.4647 55.1475 18.4195 179.0688 54 L 4.1117 8.1095 118.2133 58.6375 41.9593 178.8803 55 D 4.3807 7.7514 118.2035 57.5436 40.8722 178.1382 56 D 4.4339 8.0614 119.2421 57.5778 40.9134 178.6206 57 F 4.2916 8.4207 120.6804 61.8197 39.3626 176.7425 58 C 4.1249 8.2835 116.2260 63.1007 27.9598 176.3054 59 Q 4.0449 8.5810 119.2313 59.1266 28.0506 178.4257 60 S 4.1804 8.0336 115.4265 60.8441 62.5861 175.8000 61 L 3.8941 8.0772 123.5399 58.0528 41.7925 179.1654 62 V 3.4752 7.7596 118.2722 65.7272 31.2876 177.5860 63 D 4.3197 7.9383 117.9487 57.1844 41.2015 177.3935 64 Y 4.1156 8.1048 120.0787 60.9315 38.9030 178.2141 65 L 4.0037 7.9391 119.2784 57.7983 41.6394 179.6685 66 S 4.1351 8.1347 114.8009 61.8025 62.8975 176.4403 67 A 3.9571 8.7396 123.9986 55.3475 17.8927 179.8271 68 G 2.3184 7.4124 103.6432 47.8535 0.0000 175.9288 69 H 3.8760 7.2831 118.7105 57.0970 28.7304 177.0720 70 F 4.8170 7.6132 117.4740 57.5925 39.5360 175.7233 71 S 4.3745 7.3695 110.9911 59.1610 64.5646 175.7357 72 I 3.4161 7.9563 121.0581 64.5759 36.7525 178.1328 73 Y 4.4222 7.3647 117.4548 61.2821 37.6440 178.6389 74 E 3.9137 7.9439 118.7918 58.7782 29.4228 179.4133 75 R 3.8290 7.2249 117.2218 59.2293 30.4745 178.5099 76 I 3.9040 8.0566 120.0365 64.4821 37.0138 178.1668 77 L 4.2105 8.1728 120.9937 58.3796 41.7156 177.8718 78 H 4.7262 7.9758 112.5390 56.1488 28.9941 175.7853 79 K 4.4858 7.6706 119.5000 56.0031 32.8631 176.6722 80 L 4.2725 7.4476 119.5984 54.4077 42.1851 176.2726 81 E 4.3741 9.8849 122.1045 56.2600 31.9197 176.1892 82 G 4.1569 8.6867 112.1595 46.2017 0.0000 173.5405 83 N 4.5775 8.7015 117.9876 55.4138 38.4039 178.0989 84 G 3.6209 8.0556 107.4846 47.6457 0.0000 175.8238 85 Q 4.0086 7.9711 119.8548 58.8135 28.9843 178.2498 86 L 4.0475 8.0571 119.7505 57.7743 41.4019 179.3483 87 A 3.9879 8.0365 120.1621 55.2665 18.6897 179.4890 88 R 3.8640 7.6415 116.8328 59.5963 30.2645 178.4977 89 A 3.4144 8.2154 120.6777 54.8745 17.9751 179.3468 90 A 4.1538 8.0876 119.0372 55.1762 18.5318 179.3593 91 K 4.1421 7.5802 114.3092 58.0114 32.6970 178.8139 92 I 3.8673 6.9788 120.1320 63.1646 37.3723 177.5014 93 W 4.7138 7.2623 119.9515 59.8404 28.9761 176.7957 94 P 4.3635 0.0000 0.0000 65.6971 30.7497 178.6989 95 Q 4.0923 8.0811 116.4596 58.9549 28.5654 178.7753 96 L 4.0883 7.9947 120.0167 57.6726 41.1685 179.0336 97 E 4.0150 8.4679 119.1833 59.2465 29.5788 178.8284 98 A 4.0149 8.4798 121.3463 54.9690 18.4205 178.8943 99 N 4.2289 8.4706 116.0391 57.3229 38.8884 177.0124 100 T 3.9213 8.1988 117.0396 67.0196 68.3537 176.6257 101 Q 3.9758 7.5786 117.7189 58.7335 28.8665 178.2563 102 Q 3.8693 8.0680 120.8438 59.1415 29.2025 177.9639 103 I 3.8961 8.1639 121.1101 65.0347 37.3308 178.1676 104 M 4.1995 8.4575 118.9129 58.5282 32.1772 177.9002 105 D 4.4669 8.1810 119.1033 56.8350 40.7895 178.2224 106 Y 4.3990 7.7270 117.4166 61.2756 37.9646 176.8956 107 Y 4.2475 8.0547 119.4102 61.4874 39.2838 177.2319 108 D 4.4458 8.6835 120.2527 55.1304 40.6990 179.2173 109 S 4.1095 7.7145 113.5562 61.9239 63.0922 176.8015 110 S 4.0214 8.8696 116.0509 61.4499 63.3173 175.5211 111 L 4.0274 8.4218 123.4105 58.5324 42.0376 178.9906 112 E 4.0663 8.2324 119.0995 59.5807 29.6331 178.8836 113 T 3.9664 8.0693 109.6598 64.4786 68.4651 175.3081 114 A 4.6629 8.1619 122.3430 52.3400 19.0171 177.6980 115 I 4.3104 8.0868 120.7805 64.6527 39.8240 178.0223 116 D 4.4371 8.0178 118.6419 56.9973 41.0169 177.1699 117 H 4.6638 7.3651 116.7718 52.9710 27.7433 171.5583 118 D 4.3406 8.0173 118.5086 55.0293 41.6416 176.8423 119 N 5.0716 8.7916 124.1879 53.9446 38.2901 175.6645 120 Y 4.0888 7.3578 126.3273 60.4080 41.5522 177.7877 121 L 3.8569 8.5309 119.9810 57.7157 41.8252 179.1864 122 E 4.0744 7.8331 118.1771 59.0955 29.2756 179.3544 123 F 4.1243 8.0785 120.4023 61.3660 39.4512 176.8058 124 Q 3.4924 7.7346 118.1482 58.9679 28.8536 178.0889 125 Q 3.9086 8.2192 120.8885 59.0689 29.1771 177.8939 126 V 4.1762 7.5071 120.6570 65.5367 31.5634 178.0094 127 L 3.9916 7.5378 117.7842 57.2065 41.1911 179.2496 128 S 4.1948 8.3681 113.8806 60.8635 62.4610 175.7935 129 D 4.3276 7.4939 121.3105 57.2434 40.5497 178.5859 130 I 3.7939 8.0038 120.8171 63.9738 37.0549 178.6730 131 G 3.4056 8.0378 108.1566 47.0053 0.0000 175.1793 132 E 4.1263 7.9753 118.3003 57.6143 29.8129 178.3804 133 A 4.1513 7.3552 120.9797 54.4842 19.1457 179.1553 134 L 3.4186 7.8129 119.0928 57.7872 41.7936 178.8219 135 E 3.8555 7.6873 118.5656 58.8431 29.9563 178.2971 136 A 4.0930 7.7056 120.8559 55.2220 18.5143 179.5126 137 R 3.8641 7.9287 117.2580 59.7195 30.1276 178.6266 138 F 4.7153 7.7593 117.4034 60.5241 38.7848 177.8594 139 V 3.5723 7.7290 117.7242 66.0432 31.4636 178.0368 140 L 3.9348 7.9087 118.1904 57.6630 41.5858 178.7052 141 E 4.2065 8.8240 119.4906 59.8394 29.6036 178.7240 142 D 4.3078 8.6369 118.8648 57.3421 40.8511 179.0412 143 K 3.9660 7.9073 118.5834 59.3536 31.8911 179.3929 144 L 3.9829 7.5107 117.9891 57.6772 41.5925 179.2977 145 I 3.8832 7.7188 119.6241 64.4933 36.9486 178.4840 146 L 3.9886 8.0716 119.5983 57.7828 41.5152 179.4559 147 L 3.9671 7.8311 118.8546 57.8845 41.3486 179.6560 148 V 3.6906 7.9614 117.2742 66.2195 31.4809 177.8046 149 L 4.1826 7.7287 117.6501 57.8557 41.7500 178.8852 150 D 4.4997 8.9800 119.0687 58.1562 40.5322 178.6379 151 A 3.6683 8.8706 117.0984 53.9642 19.0302 179.5203 152 A 3.5923 7.9069 114.6522 55.3268 19.0662 179.7724 153 R 3.9360 7.7635 115.9398 58.5550 30.1566 178.6340 154 V 3.9191 7.7343 117.2100 61.2244 31.9847 176.2626 155 K 4.1793 7.0582 121.0633 57.2126 32.6728 175.4495 156 H 4.9149 8.3401 120.0651 53.0740 31.0960 172.3066 157 P 4.2548 0.0000 0.0000 63.2802 30.8263 176.1431 158 A 4.1165 8.5390 125.4075 52.2725 18.2844 176.7698 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 M 8.25 5.23 0.00 2.35 2.45 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 2 L 7.81 4.30 0.00 2.05 1.68 1.08 0.42 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 3 N 8.84 4.33 0.00 2.80 2.84 0.00 0.00 7.15 8.04 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 4 Q 8.18 3.97 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 L 7.80 3.80 0.00 1.55 1.74 0.71 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.07 4.27 0.00 2.83 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 7 N 8.25 4.26 0.00 2.88 2.83 0.00 0.00 6.73 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.59 3.89 0.00 1.64 1.72 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.02 3.83 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 10 E 8.28 4.05 0.00 1.99 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 2.69 2.44 0.00 11 R 7.55 3.81 0.00 1.92 2.14 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 12 V 7.73 4.05 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 0.83 0.00 0.00 0.98 0.00 0.00 13 R 6.45 4.32 0.00 2.06 1.95 0.00 3.14 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 14 G 8.60 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 0.00 0.00 0.00 15 S 7.36 4.29 0.00 3.99 3.86 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 16 N 7.60 5.04 0.00 2.84 2.69 0.00 0.00 6.98 5.97 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 17 K 8.53 4.00 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.52 7.81 18 L 7.95 4.01 0.00 1.78 1.73 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.83 3.84 2.31 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 1.14 0.00 0.00 1.05 0.00 0.00 20 D 8.05 4.37 0.00 2.93 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 21 R 8.19 4.00 0.00 1.94 2.07 0.00 3.17 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 22 W 8.45 4.60 0.00 3.52 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 23 L 8.47 3.80 0.00 1.92 1.65 0.54 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.34 4.04 0.00 3.36 3.56 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.01 3.70 2.62 0.00 0.00 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 1.18 0.00 0.00 26 R 8.29 3.78 0.00 1.79 1.82 0.00 2.43 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.95 0.00 27 K 7.67 3.82 0.00 1.82 1.84 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 28 H 7.96 4.23 0.00 3.46 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.96 4.02 0.00 1.74 1.70 0.91 -0.10 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 30 L 8.05 3.93 0.00 1.98 1.72 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.33 3.70 2.33 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 1.04 0.00 0.00 1.07 0.00 0.00 32 A 8.06 4.12 1.65 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 33 Y 8.50 3.34 0.00 3.03 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 34 Y 8.03 4.17 0.00 3.14 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 35 N 8.20 4.39 0.00 2.87 2.92 0.00 0.00 6.95 7.21 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 36 L 7.08 4.17 0.00 1.67 1.44 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.14 3.75 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 0.76 0.00 0.00 0.04 0.00 0.00 38 G 7.82 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 39 I 7.40 4.48 1.97 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 1.30 0.86 0.94 0.00 0.00 40 K 8.81 3.89 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.02 7.81 41 P 0.00 4.12 0.00 2.08 1.86 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 42 G 7.98 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 0.00 0.00 0.00 *50 N 8.47 4.58 0.00 2.78 2.71 0.00 0.00 6.22 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 51 E 7.87 4.65 0.00 1.94 1.89 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 2.26 2.24 0.00 52 K 8.08 4.08 0.00 1.80 1.79 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.07 7.81 53 A 7.96 4.21 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 54 L 8.11 4.11 0.00 1.85 1.76 1.21 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.75 4.38 0.00 2.86 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 56 D 8.06 4.43 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 57 F 8.42 4.29 0.00 3.23 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 58 C 8.28 4.12 0.00 3.39 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.58 4.04 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 60 S 8.03 4.18 0.00 3.96 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.89 0.00 0.87 1.43 0.87 0.87 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 62 V 7.76 3.48 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 0.85 0.00 0.00 0.33 0.00 0.00 63 D 7.94 4.32 0.00 3.00 2.84 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 64 Y 8.10 4.12 0.00 3.33 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.00 0.00 1.76 1.73 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.13 4.14 0.00 4.06 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 67 A 8.74 3.96 1.20 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 0.00 0.00 68 G 7.41 2.32 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 0.00 0.00 0.00 69 H 7.28 3.88 0.00 2.38 2.72 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.61 4.82 0.00 3.03 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 71 S 7.37 4.37 0.00 3.72 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 72 I 7.96 3.42 1.07 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.20 -0.32 0.00 0.00 73 Y 7.36 4.42 0.00 2.81 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 74 E 7.94 3.91 0.00 1.87 1.80 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 2.22 2.18 0.00 75 R 7.22 3.83 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 76 I 8.06 3.90 2.19 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 1.52 0.62 1.12 0.00 0.00 77 L 8.17 4.21 0.00 1.96 1.92 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.98 4.73 0.00 3.13 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.67 4.49 0.00 1.96 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 80 L 7.45 4.27 0.00 1.76 1.65 1.07 0.85 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 81 E 9.88 4.37 0.00 1.82 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 2.24 2.27 0.00 82 G 8.69 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 83 N 8.70 4.58 0.00 2.77 2.90 0.00 0.00 6.88 7.59 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 84 G 8.06 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.97 4.01 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 86 L 8.06 4.05 0.00 1.74 1.81 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.04 3.99 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 88 R 7.64 3.86 0.00 1.79 1.96 0.00 3.04 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 89 A 8.22 3.41 1.06 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 0.00 0.00 90 A 8.09 4.15 1.47 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 0.00 0.00 91 K 7.58 4.14 0.00 1.68 1.82 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.57 7.81 92 I 6.98 3.87 1.31 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 1.44 0.83 0.59 0.00 0.00 93 W 7.26 4.71 0.00 3.37 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 94 P 0.00 4.36 0.00 2.19 2.14 0.00 3.69 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 95 Q 8.08 4.09 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 96 L 7.99 4.09 0.00 2.12 1.88 1.00 0.59 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 97 E 8.47 4.01 0.00 2.34 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 2.29 2.30 0.00 98 A 8.48 4.01 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 99 N 8.47 4.23 0.00 2.88 3.10 0.00 0.00 7.23 6.86 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 0.00 100 T 8.20 3.92 4.44 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 1.17 0.00 0.00 101 Q 7.58 3.98 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 102 Q 8.07 3.87 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 103 I 8.16 3.90 2.05 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 0.93 1.01 0.00 0.00 104 M 8.46 4.20 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 105 D 8.18 4.47 0.00 2.63 2.57 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 0.00 106 Y 7.73 4.40 0.00 3.36 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 0.00 107 Y 8.05 4.25 0.00 3.04 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 0.00 108 D 8.68 4.45 0.00 2.84 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 0.00 109 S 7.71 4.11 0.00 4.14 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 0.00 110 S 8.87 4.02 0.00 4.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.42 4.03 0.00 1.71 1.94 1.21 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.23 4.07 0.00 2.29 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 2.30 2.52 0.00 113 T 8.07 3.97 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 1.28 0.00 0.00 114 A 8.16 4.66 1.56 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 0.00 115 I 8.09 4.31 2.11 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.86 0.00 0.00 116 D 8.02 4.44 0.00 2.73 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 0.00 117 H 7.37 4.66 0.00 3.10 3.26 0.00 5.88 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.02 4.34 0.00 2.60 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 0.00 119 N 8.79 5.07 0.00 2.99 2.94 0.00 0.00 5.86 7.57 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 0.00 120 Y 7.36 4.09 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.53 3.86 0.00 1.80 1.67 1.20 1.20 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 0.00 122 E 7.83 4.07 0.00 2.21 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 2.34 2.33 0.00 123 F 8.08 4.12 0.00 3.23 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 0.00 124 Q 7.73 3.49 0.00 1.45 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 125 Q 8.22 3.91 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 126 V 7.51 4.18 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 1.03 0.00 0.00 0.94 0.00 0.00 127 L 7.54 3.99 0.00 1.49 1.38 0.33 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.37 4.19 0.00 3.84 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 0.00 129 D 7.49 4.33 0.00 1.94 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 0.00 0.00 0.00 0.00 130 I 8.00 3.79 1.84 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.48 1.04 0.00 0.00 131 G 8.04 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.98 4.13 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 133 A 7.36 4.15 1.51 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 0.00 0.00 134 L 7.81 3.42 0.00 1.65 1.10 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.69 3.86 0.00 2.08 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 2.36 2.40 0.00 136 A 7.71 4.09 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 0.00 137 R 7.93 3.86 0.00 2.09 1.80 0.00 3.21 0.00 0.00 3.72 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 138 F 7.76 4.72 0.00 3.29 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 0.00 139 V 7.73 3.57 2.24 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 1.03 0.00 0.00 1.04 0.00 0.00 140 L 7.91 3.93 0.00 1.92 1.66 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.82 4.21 0.00 2.52 2.15 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 2.35 2.29 0.00 142 D 8.64 4.31 0.00 2.79 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 0.00 143 K 7.91 3.97 0.00 1.91 1.78 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.64 7.81 144 L 7.51 3.98 0.00 2.17 1.86 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.72 3.88 2.02 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.74 0.91 0.00 0.00 146 L 8.07 3.99 0.00 1.99 1.71 0.97 0.47 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 0.00 147 L 7.83 3.97 0.00 1.87 1.73 0.83 0.81 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 0.00 148 V 7.96 3.69 2.39 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 0.91 0.00 0.00 1.13 0.00 0.00 149 L 7.73 4.18 0.00 1.85 1.73 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.98 4.50 0.00 2.84 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 0.00 151 A 8.87 3.67 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 0.00 152 A 7.91 3.59 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 0.00 153 R 7.76 3.94 0.00 1.98 2.09 0.00 3.21 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 154 V 7.73 3.92 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 0.85 0.00 0.00 0.93 0.00 0.00 155 K 7.06 4.18 0.00 1.94 1.89 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.45 7.81 156 H 8.34 4.91 0.00 3.12 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.25 0.00 2.19 2.12 0.00 3.79 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 2.00 1.98 0.00 158 A 8.54 4.12 1.12 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 * Residues marked with a * may have inaccurate shift predictions.