NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3545 8.1693 120.9825 55.2439 42.3692 176.2889 8 P 3.9693 0.0000 0.0000 61.5288 32.3406 171.4699 9 P 4.0443 0.0000 0.0000 66.3896 31.8219 177.2072 10 G 3.7656 9.0781 111.9665 44.7168 0.0000 171.0313 11 W 5.3841 7.9422 118.4398 54.7757 30.9339 175.2944 12 E 4.9789 9.4998 121.0132 54.6130 33.2319 173.9441 13 K 4.4905 8.6741 121.2159 55.1468 33.9486 174.9804 14 A 4.5996 8.1072 127.5543 50.3067 23.3547 173.7732 15 M 5.0214 8.1667 117.2446 53.5407 34.8915 175.3223 16 S 4.3282 9.6623 121.7230 59.0166 63.0765 175.2074 17 R 4.0835 8.8208 126.9542 59.2392 30.5184 177.8142 18 S 4.3427 8.3641 113.3798 61.0354 62.9107 175.0691 19 S 4.5494 7.8405 111.3981 57.0897 64.4301 175.2708 20 G 3.9676 8.2732 108.4573 45.2393 0.0000 173.2931 21 R 4.3283 7.6735 120.7363 55.3117 31.5626 175.6345 22 V 4.2010 8.6804 125.5520 64.3354 32.1240 174.3060 23 Y 5.0721 8.5213 124.1228 55.9569 42.3266 172.9072 24 Y 5.0995 9.3857 115.9776 56.2712 41.8163 174.9646 25 F 5.5993 9.6988 125.0632 56.4659 43.5753 172.8857 26 N 4.4636 7.5188 124.2305 51.5837 40.3263 174.5223 27 H 4.2060 8.3102 121.6656 56.3834 29.3565 176.2229 28 I 3.9470 7.8425 121.7946 63.0415 37.7546 176.7153 29 T 4.1151 7.4294 108.2425 60.6844 70.0653 175.1292 30 N 3.9019 7.8776 118.4158 53.9464 36.9594 173.4645 31 A 4.6755 7.2635 120.3987 51.7798 19.8250 177.5920 32 S 5.6691 8.6359 114.3209 56.9300 66.3274 173.0144 33 Q 4.5212 9.1565 119.0407 55.0598 31.9547 175.7348 34 W 4.5653 8.8327 119.5625 59.5635 29.6175 177.6740 35 E 4.2050 8.1284 116.1560 55.8052 29.5484 176.4871 36 R 2.5100 8.1855 122.8902 54.4936 30.2608 174.4401 37 P 3.4160 0.0000 0.0000 64.6148 31.0938 175.6175 38 S 4.0458 8.0772 113.1223 57.2257 61.4846 167.7726 *51 E 4.0984 8.2562 120.0814 55.8570 29.9692 173.9216 52 P 4.6587 0.0000 0.0000 61.6924 32.7976 175.9928 53 A 4.2520 8.4530 121.5139 54.7589 18.6362 178.0112 54 R 5.1210 7.6235 112.0490 55.0075 34.5278 175.0727 55 V 4.3503 8.0233 113.6520 59.5272 36.6930 174.2080 56 R 4.8964 8.2612 121.7593 53.8548 32.7932 174.2305 57 C 5.3738 8.7030 121.9893 58.3274 32.6282 173.1744 58 S 5.5698 8.8159 117.5939 57.7144 65.8155 172.4415 59 H 5.4490 9.2753 115.4929 54.9260 32.5421 172.1843 60 L 4.7158 9.2402 120.8746 53.2424 44.8078 174.5854 61 L 4.8594 8.7495 129.3553 53.6028 44.2258 175.0354 62 V 4.6851 8.7216 126.8094 61.1617 33.4070 175.3490 63 K 4.6586 9.1474 128.3900 56.1500 33.5764 175.4259 64 H 4.9903 8.7448 116.8411 53.6967 31.7421 174.3887 65 S 4.1918 9.0376 114.0706 61.2337 62.5442 175.2162 66 Q 4.4576 8.1753 117.5532 55.6209 28.8062 175.9207 67 S 4.3481 7.8012 115.1183 58.3401 63.4732 174.2605 68 R 3.9651 8.6809 124.7469 59.3259 29.6484 177.6136 69 R 4.4755 7.5358 120.8385 53.4149 30.9520 175.2213 70 P 4.6204 0.0000 0.0000 61.4726 30.3585 176.3020 71 S 4.9635 7.4257 110.5252 58.2873 65.9169 172.1252 72 S 4.6222 8.7559 119.2464 56.7450 65.7731 175.2882 73 W 4.3686 8.8221 117.3702 59.3884 27.6657 177.6444 74 R 3.3653 6.8395 117.6003 58.2060 29.8155 176.8635 75 Q 4.3447 7.6639 117.7791 54.8440 32.4004 174.2142 76 E 3.8052 9.0920 127.0412 58.2432 29.9165 176.4004 77 K 4.5098 7.7456 119.2258 54.3606 33.9002 174.9065 78 I 4.2880 8.9022 129.0030 60.8610 37.5663 176.0670 79 T 4.5318 8.2741 114.0026 60.9138 70.3814 174.6206 80 R 4.1741 7.7028 119.6931 56.2178 30.3588 176.2739 81 T 4.3955 9.1094 110.9654 61.1395 71.0816 175.5392 82 K 3.7064 8.5475 122.3249 59.8412 32.0079 178.5033 83 E 3.9981 8.0710 119.0442 59.2039 29.6818 178.4413 84 E 3.9501 8.2586 118.5730 59.1568 29.3871 179.1593 85 A 3.9362 8.1184 120.9482 55.0479 18.3777 179.4599 86 L 3.8225 8.0196 118.8501 58.2164 42.1855 178.8664 87 E 3.8804 8.1627 118.5669 59.4061 29.3942 179.4341 88 L 3.5063 7.6645 118.6764 57.6297 41.5878 179.3624 89 I 3.7167 7.6765 119.8530 64.7400 37.1004 178.2150 90 N 4.4162 8.4085 117.4307 56.2160 38.3155 177.7399 91 G 3.4989 7.9229 107.1075 48.0120 0.0000 175.4156 92 Y 4.4529 7.5733 119.1586 60.9005 37.7880 178.5335 93 I 3.8479 8.2417 121.1580 64.4157 37.1858 178.5250 94 Q 4.0169 8.1810 118.8036 59.1112 28.6489 179.0369 95 K 4.0577 8.2963 119.4235 59.5124 31.8823 179.5453 96 I 4.4792 8.0049 121.5929 63.7280 36.8728 178.5848 97 K 4.1200 8.3371 119.1980 59.3027 31.9640 179.3379 98 S 4.3296 8.1898 113.8878 59.5638 63.0933 175.5681 99 G 3.9979 7.7686 109.9904 45.0472 0.0000 173.8549 100 E 4.1108 7.9516 120.1422 58.5296 30.0826 176.7267 101 E 4.8241 8.3863 116.6019 53.8628 33.6444 174.4180 102 D 5.1888 8.2292 120.6154 51.7010 42.9781 177.1821 103 F 3.9517 8.7869 122.2698 61.8900 39.2987 177.3422 104 E 4.1087 8.3494 117.4366 59.3043 29.2749 179.2486 105 S 3.9848 7.9437 113.0001 61.3646 62.4877 176.2025 106 L 3.8497 7.7168 121.4455 57.5870 41.2758 179.3685 107 A 3.7117 7.9071 121.0820 55.1862 18.0483 179.8664 108 S 4.1996 7.7895 112.5407 61.8475 62.9392 176.7071 109 Q 3.9558 7.5893 119.6396 57.8752 28.5264 176.9704 110 F 4.9945 7.7902 114.4321 56.7668 40.9688 175.3271 111 S 4.4868 8.1231 117.2764 58.2833 62.6557 173.5901 112 D 4.5669 9.1246 127.4756 54.5426 40.7538 175.5780 113 C 4.9802 7.7011 119.8437 57.2373 33.7812 175.0728 114 S 4.3131 8.7000 120.2924 61.0264 62.5535 176.1577 115 S 4.3164 8.1322 116.6565 59.6685 62.9250 175.4082 116 A 4.0004 8.0344 125.6757 55.7003 17.8328 179.7315 117 K 3.7544 7.4755 115.5376 58.4188 32.3051 178.0300 118 A 4.6511 7.6964 120.3041 51.7325 20.2267 177.0656 119 R 3.4611 8.7900 116.9927 58.7613 28.5578 178.1724 120 G 4.2013 8.2868 105.8172 46.3734 0.0000 173.7949 121 D 4.8021 7.8311 119.6009 54.0584 41.3543 175.7970 122 L 4.3866 8.8216 125.9854 53.8815 42.4897 177.9398 123 G 3.8604 8.4768 109.0917 44.4826 0.0000 172.2515 124 A 4.6432 8.2960 119.8433 51.3260 20.1622 177.0235 125 F 5.2100 8.6285 114.8678 55.8700 42.0204 173.0215 126 S 5.3642 9.2197 114.5028 56.1570 65.9350 173.9287 127 R 4.0360 8.3181 118.5149 57.6732 30.0721 177.3976 128 G 4.0702 9.1113 109.2944 45.4613 0.0000 174.0431 129 Q 4.4336 7.9952 117.4054 56.4505 31.0901 175.6825 130 M 4.3688 7.5813 115.1935 53.1335 34.3342 176.0777 131 Q 4.1171 8.2155 118.7747 56.2679 30.7230 178.1770 132 K 3.9648 8.6305 123.5984 59.3967 32.3863 177.5871 133 P 4.3466 0.0000 0.0000 65.2442 31.2012 178.3581 134 F 3.8215 8.2131 119.1876 61.1494 39.3579 176.6590 135 E 4.2942 8.6199 119.0081 59.5494 29.3176 178.3105 136 D 4.4427 8.6040 117.6043 57.4664 41.2366 178.4325 137 A 4.0463 8.0350 121.0089 55.2208 18.1419 179.5888 138 S 3.9472 8.2175 113.9568 62.0678 62.8126 177.0767 139 F 4.0560 8.4773 117.8882 59.2668 38.7999 176.7866 140 A 4.3821 7.5094 118.3555 51.8315 19.4189 177.4486 141 L 4.3083 6.7357 116.1705 54.2919 42.5976 177.2495 142 R 4.3067 9.0039 121.2718 55.3526 31.0798 176.4669 143 T 3.8929 8.1759 116.8834 65.5003 68.6702 174.9885 144 G 3.9121 9.2316 115.7426 44.8233 0.0000 172.9107 145 E 4.4580 8.1370 121.2943 55.4606 31.3275 174.5165 146 M 5.1553 8.4379 124.8935 53.7699 34.5877 175.4900 147 S 4.3997 8.8334 120.6139 57.7575 64.8132 174.1719 148 G 4.3612 7.9608 108.9250 43.7414 0.0000 171.2099 149 P 4.5405 0.0000 0.0000 62.6685 32.2200 176.2896 150 V 4.5078 8.5734 123.8839 61.1848 34.2766 173.9966 151 F 5.2877 9.3275 126.8937 56.4527 40.6167 175.1874 152 T 4.8824 8.9366 112.4772 59.6914 72.1174 174.2802 153 D 4.4871 8.7793 119.8911 57.1649 40.8689 179.3371 154 S 4.4876 8.2644 115.0594 58.7029 64.1919 176.0538 155 G 4.0794 6.3084 109.1909 46.2556 0.0000 171.6089 156 I 4.7356 8.0750 124.7234 59.5966 40.3614 174.2939 157 H 5.5397 9.3773 123.2817 54.1180 32.4764 172.6960 158 I 4.9120 8.8211 122.5756 59.7145 39.7216 174.5957 159 I 4.9399 8.7797 127.5606 59.3272 40.2469 174.1176 160 L 4.7546 8.6857 129.2641 53.0225 44.4670 174.9724 161 R 4.5448 8.6635 127.9450 56.1752 30.5060 176.4757 162 T 4.6085 9.0820 117.1063 62.1603 70.9733 174.6911 163 E 4.1481 7.6486 126.5768 56.7301 30.6353 174.6220 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 L 8.17 4.35 0.00 1.85 1.91 0.96 0.39 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 8 P 0.00 3.97 0.00 2.55 2.32 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 9 P 0.00 4.04 0.00 2.06 2.14 0.00 3.71 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 2.08 2.16 0.00 10 G 9.08 3.77 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 0.00 0.00 0.00 11 W 7.94 5.38 0.00 3.15 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 12 E 9.50 4.98 0.00 2.07 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 0.00 2.39 2.29 0.00 13 K 8.67 4.49 0.00 1.80 1.71 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.12 0.98 7.81 14 A 8.11 4.60 0.39 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 15 M 8.17 5.02 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 16 S 9.66 4.33 0.00 4.45 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.82 4.08 0.00 1.85 1.95 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 18 S 8.36 4.34 0.00 3.98 3.95 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 19 S 7.84 4.55 0.00 3.88 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 20 G 8.27 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 21 R 7.67 4.33 0.00 1.85 1.87 0.00 2.99 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 22 V 8.68 4.20 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 0.66 0.00 0.00 0.95 0.00 0.00 23 Y 8.52 5.07 0.00 2.83 2.51 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 24 Y 9.39 5.10 0.00 2.99 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 25 F 9.70 5.60 0.00 3.23 2.94 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 26 N 7.52 4.46 0.00 1.44 1.49 0.00 0.00 6.86 7.63 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 27 H 8.31 4.21 0.00 3.36 3.43 0.00 5.60 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 28 I 7.84 3.95 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.14 0.86 0.00 0.00 29 T 7.43 4.12 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 1.03 0.00 0.00 30 N 7.88 3.90 0.00 3.08 3.08 0.00 0.00 6.73 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 31 A 7.26 4.68 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 32 S 8.64 5.67 0.00 3.91 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 33 Q 9.16 4.52 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 34 W 8.83 4.57 0.00 3.39 3.34 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 35 E 8.13 4.20 0.00 1.92 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 2.35 2.45 0.00 36 R 8.19 2.51 0.00 1.20 1.54 0.00 3.13 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.00 37 P 0.00 3.42 0.00 1.09 0.49 0.00 2.39 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 38 S 8.08 4.05 0.00 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 0.00 *51 E 8.26 4.10 0.00 2.02 1.94 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 2.25 2.52 0.00 52 P 0.00 4.66 0.00 2.40 2.05 0.00 3.99 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 2.06 1.93 0.00 53 A 8.45 4.25 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 54 R 7.62 5.12 0.00 1.63 1.72 0.00 3.19 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 55 V 8.02 4.35 1.63 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 -0.07 0.00 0.00 -0.48 0.00 0.00 56 R 8.26 4.90 0.00 1.73 1.69 0.00 3.13 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 57 C 8.70 5.37 0.00 3.34 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 58 S 8.82 5.57 0.00 3.70 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 59 H 9.28 5.45 0.00 3.69 3.78 0.00 5.22 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.24 4.72 0.00 1.29 1.50 0.47 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.75 4.86 0.00 1.73 1.47 0.78 0.93 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 62 V 8.72 4.69 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 0.92 0.00 0.00 1.09 0.00 0.00 63 K 9.15 4.66 0.00 1.73 1.66 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.34 7.81 64 H 8.74 4.99 0.00 3.39 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.04 4.19 0.00 3.97 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 66 Q 8.18 4.46 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 67 S 7.80 4.35 0.00 3.78 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 68 R 8.68 3.97 0.00 1.84 2.00 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 69 R 7.54 4.48 0.00 1.79 1.84 0.00 3.27 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 70 P 0.00 4.62 0.00 2.20 2.23 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 71 S 7.43 4.96 0.00 3.79 3.71 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 0.00 0.00 0.00 0.00 72 S 8.76 4.62 0.00 4.03 3.83 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 73 W 8.82 4.37 0.00 3.55 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 74 R 6.84 3.37 0.00 1.34 1.48 0.00 2.89 0.00 0.00 2.94 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.66 4.34 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 76 E 9.09 3.81 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 2.29 2.30 0.00 77 K 7.75 4.51 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 I 8.90 4.29 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.88 0.00 0.00 79 T 8.27 4.53 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 1.26 0.00 0.00 80 R 7.70 4.17 0.00 2.09 2.08 0.00 3.13 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 81 T 9.11 4.40 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 1.23 0.00 0.00 82 K 8.55 3.71 0.00 1.46 1.78 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.51 7.81 83 E 8.07 4.00 0.00 2.07 1.91 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 2.36 2.39 0.00 84 E 8.26 3.95 0.00 2.21 1.94 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 2.29 2.30 0.00 85 A 8.12 3.94 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 86 L 8.02 3.82 0.00 1.85 1.88 0.95 0.91 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 87 E 8.16 3.88 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 2.29 2.49 0.00 88 L 7.66 3.51 0.00 1.71 1.29 0.84 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 89 I 7.68 3.72 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.91 0.90 0.00 0.00 90 N 8.41 4.42 0.00 2.79 2.83 0.00 0.00 6.98 7.89 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 91 G 7.92 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.57 4.45 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 93 I 8.24 3.85 2.07 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 1.63 0.98 0.97 0.00 0.00 94 Q 8.18 4.02 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 95 K 8.30 4.06 0.00 1.92 1.95 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.72 7.81 96 I 8.00 4.48 2.01 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 1.66 2.43 1.06 0.00 0.00 97 K 8.34 4.12 0.00 1.90 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.72 7.81 98 S 8.19 4.33 0.00 4.07 4.14 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 99 G 7.77 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 0.00 100 E 7.95 4.11 0.00 2.01 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 2.37 2.33 0.00 101 E 8.39 4.82 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 102 D 8.23 5.19 0.00 2.97 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 0.00 103 F 8.79 3.95 0.00 3.25 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 0.00 104 E 8.35 4.11 0.00 2.15 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 2.49 2.62 0.00 105 S 7.94 3.98 0.00 3.93 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 0.00 106 L 7.72 3.85 0.00 1.57 1.28 0.99 0.86 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 0.00 107 A 7.91 3.71 0.97 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 0.00 108 S 7.79 4.20 0.00 3.85 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 0.00 109 Q 7.59 3.96 0.00 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 110 F 7.79 4.99 0.00 2.73 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 0.00 111 S 8.12 4.49 0.00 3.85 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 0.00 112 D 9.12 4.57 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 7.70 4.98 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 0.00 114 S 8.70 4.31 0.00 4.08 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 0.00 115 S 8.13 4.32 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 0.00 116 A 8.03 4.00 1.58 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 0.00 117 K 7.48 3.75 0.00 1.54 1.73 0.00 1.38 0.00 0.00 1.04 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.36 7.81 118 A 7.70 4.65 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 0.00 119 R 8.79 3.46 0.00 2.03 2.08 0.00 3.20 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 120 G 8.29 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 0.00 0.00 0.00 0.00 121 D 7.83 4.80 0.00 2.72 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 0.00 122 L 8.82 4.39 0.00 1.97 1.72 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.48 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 0.00 0.00 0.00 124 A 8.30 4.64 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 0.00 125 F 8.63 5.21 0.00 3.27 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 0.00 126 S 9.22 5.36 0.00 4.03 3.99 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 0.00 127 R 8.32 4.04 0.00 1.56 1.72 0.00 2.81 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 128 G 9.11 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 0.00 0.00 0.00 129 Q 8.00 4.43 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 130 M 7.58 4.37 0.00 1.69 1.89 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.71 0.00 131 Q 8.22 4.12 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 132 K 8.63 3.96 0.00 1.89 1.84 0.00 1.62 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.77 7.81 133 P 0.00 4.35 0.00 2.38 2.16 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 134 F 8.21 3.82 0.00 3.08 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 0.00 135 E 8.62 4.29 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 2.49 2.73 0.00 136 D 8.60 4.44 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.03 4.05 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 0.00 138 S 8.22 3.95 0.00 4.29 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 0.00 139 F 8.48 4.06 0.00 3.04 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 0.00 140 A 7.51 4.38 1.23 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 0.00 0.00 141 L 6.74 4.31 0.00 1.74 1.54 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.00 4.31 0.00 1.88 1.84 0.00 3.14 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 143 T 8.18 3.89 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 1.16 0.00 0.00 144 G 9.23 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 0.00 145 E 8.14 4.46 0.00 2.08 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 2.30 2.32 0.00 146 M 8.44 5.16 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 147 S 8.83 4.40 0.00 4.04 3.76 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 0.00 148 G 7.96 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.54 0.00 1.94 1.84 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 150 V 8.57 4.51 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 1.01 0.00 0.00 0.92 0.00 0.00 151 F 9.33 5.29 0.00 2.98 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 0.00 152 T 8.94 4.88 4.55 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 1.36 0.00 0.00 153 D 8.78 4.49 0.00 2.80 2.80 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 0.00 154 S 8.26 4.49 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 0.00 155 G 6.31 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 0.00 0.00 0.00 156 I 8.08 4.74 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.70 0.41 0.00 0.00 157 H 9.38 5.54 0.00 3.08 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.82 4.91 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.16 0.00 0.00 159 I 8.78 4.94 1.68 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 0.75 0.71 0.68 0.00 0.00 160 L 8.69 4.75 0.00 0.61 0.73 0.78 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.66 4.54 0.00 1.80 1.84 0.00 3.00 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 162 T 9.08 4.61 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 1.12 0.00 0.00 163 E 7.65 4.15 0.00 1.89 1.72 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 2.25 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.