NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5898 8.3093 122.8209 57.5381 40.3921 177.1616 2 P 4.6266 0.0000 0.0000 61.4442 31.7972 174.0763 3 T 4.4192 8.8855 114.6820 61.3292 69.9209 171.8457 4 I 3.1104 7.8744 125.9365 60.1299 33.5143 171.4598 5 P 4.5222 0.0000 0.0000 62.6223 31.8948 176.9563 6 L 4.1528 8.2862 115.9810 56.6483 41.6934 179.3989 7 S 4.1510 8.0817 117.8629 62.3022 62.8632 176.5684 8 R 3.9427 8.1283 122.6178 61.8404 28.8872 179.8341 9 L 4.1753 7.6180 118.4582 57.9550 41.9284 179.9266 10 A 4.0678 8.0912 120.2423 55.0684 18.2981 179.2881 11 D 5.1072 8.6541 119.0647 57.3392 40.9716 178.8055 12 N 4.3477 8.4278 116.5346 56.1814 38.5667 177.1421 13 A 3.9932 8.3766 122.5653 55.0533 18.3920 179.4330 14 W 4.0665 8.1640 126.0078 60.6514 30.8983 177.7618 15 L 3.0650 7.9596 118.9115 57.8523 41.1631 179.9272 16 R 3.7301 7.9533 117.1934 59.3303 29.9451 179.1434 17 A 3.8822 7.8065 120.2083 54.8737 18.2597 179.1442 18 D 3.9217 7.9837 117.5311 56.9507 41.0031 178.5097 19 R 3.7115 7.5643 119.4097 59.3277 30.0857 178.4879 20 L 3.5243 7.5956 118.4473 57.3722 41.3495 179.1853 21 N 4.0459 7.5158 117.7433 56.3221 38.8853 177.0337 22 Q 3.9775 7.8201 119.0882 59.2649 28.7050 177.9736 23 L 3.7901 8.4812 121.8311 57.6071 41.7374 179.4644 24 A 4.0723 7.9713 120.5318 55.4786 18.1033 179.0740 25 F 4.5140 8.5765 119.6381 61.1899 39.4974 176.7291 26 D 4.1855 8.6226 118.5602 57.9466 40.7419 179.5383 27 T 4.1863 7.8847 109.3879 64.5266 68.8961 176.3307 28 Y 4.1173 7.6020 121.3855 60.6150 38.7708 177.7415 29 Q 3.5784 8.1530 119.2639 59.0092 28.9251 177.7256 30 E 3.8891 8.4451 120.4956 59.5474 29.5351 178.3219 31 F 4.2033 8.6778 120.2747 61.7222 39.6025 177.0552 32 E 3.6185 8.0393 117.7597 59.2721 29.3282 178.4092 33 E 4.1172 8.4724 114.6826 57.5047 29.4087 177.1586 34 A 4.3089 7.4729 119.3944 51.2191 20.7098 176.6516 35 Y 4.3278 7.6438 110.4602 57.9995 40.5441 175.9846 36 I 4.0548 7.3727 120.7062 59.0725 37.8406 173.7538 37 P 4.3462 0.0000 0.0000 62.5201 31.8306 177.7872 38 K 4.0613 8.6219 124.3040 60.6340 32.7160 177.5143 39 E 4.2695 8.2255 114.9781 57.0626 30.2280 179.6420 40 Q 4.7295 9.7087 115.6824 55.2695 29.2095 180.8770 41 I 4.0589 7.7326 118.7154 64.5108 37.6192 175.3354 42 H 2.0000 9.1190 120.1253 55.6146 26.8633 176.7684 43 S 4.4530 7.6654 116.4557 60.8022 62.4920 176.6714 44 F 4.3247 6.3645 116.1335 59.2238 37.9793 177.4923 45 W 4.2891 6.6786 120.7306 58.4966 28.7963 176.2463 46 W 4.9341 7.1240 118.7184 54.2148 28.7605 173.4572 47 N 4.7712 9.0786 114.1060 50.9967 41.4055 174.5408 48 P 4.3397 0.0000 0.0000 64.2197 31.8867 176.6434 49 Q 4.4979 7.8908 114.7683 57.8354 30.1383 177.1797 50 T 4.4785 7.7896 105.0294 62.2634 69.1979 176.1280 51 S 4.6688 8.1672 118.9267 61.4625 63.3188 175.2996 52 L 4.1849 7.8254 118.2285 54.9760 42.1857 176.8875 53 C 5.0758 8.3538 120.2529 53.8884 46.3049 173.1130 54 P 3.8630 0.0000 0.0000 64.8091 31.0112 177.1188 55 S 4.6960 7.6334 111.6338 57.6909 63.6697 175.4857 56 E 3.5787 8.1078 123.4414 60.5114 29.1965 178.3782 57 S 4.3868 7.9505 109.7424 58.7319 62.7847 173.4070 58 I 4.2808 8.1140 121.4650 59.7635 38.1384 173.7538 59 P 4.3866 0.0000 0.0000 62.8759 31.3249 175.9094 60 T 4.5854 8.1930 113.0568 58.6294 71.3617 171.9736 61 P 4.4406 0.0000 0.0000 63.0830 31.7066 176.0558 62 S 4.6865 9.4481 118.1424 57.2099 63.2464 173.0831 63 N 4.2119 7.4058 117.7722 51.7118 38.9861 175.2382 64 K 3.8841 8.2692 118.5252 59.7229 31.9225 177.8417 65 E 3.9387 8.2747 116.9569 60.0365 29.6957 179.0615 66 E 4.0425 8.8793 118.2683 59.4385 29.4629 179.2364 67 T 3.8180 8.2100 115.8356 67.2971 68.4842 176.5279 68 Q 4.0068 8.2109 118.3100 58.8408 28.7199 178.3673 69 Q 4.0718 7.8696 120.1665 58.0630 29.3437 176.9636 70 K 4.2519 7.0542 118.2850 56.3107 32.8611 176.3160 71 S 4.7025 8.5338 115.8340 56.6311 64.8506 174.9746 72 N 4.3437 8.5840 117.6232 55.6540 37.9115 176.8923 73 L 4.1983 7.6652 121.3880 57.2175 42.6099 177.8662 74 E 4.1101 7.6109 116.2514 58.4570 29.6667 178.5417 75 L 3.9511 7.8512 120.4406 57.1017 41.8554 178.7004 76 L 4.1787 7.6840 118.4313 56.8860 41.4778 179.3679 77 R 3.9158 7.8087 118.6804 59.2487 30.2914 178.0607 78 I 3.7012 7.3395 119.2866 64.6582 37.0350 178.5534 79 S 4.2801 8.0375 115.3635 61.6908 62.7190 176.6413 80 L 4.0094 8.0978 123.1545 57.8393 41.7768 179.0411 81 L 4.0047 8.7675 119.7012 57.6877 41.3962 179.2334 82 L 4.0649 8.1960 117.8102 58.0352 41.8941 179.1709 83 I 3.9622 8.0846 119.7926 65.0024 37.1957 178.5155 84 Q 4.0506 8.2954 118.5982 58.9117 28.2869 179.0982 85 S 4.1410 7.9747 114.4595 60.4177 63.1925 175.5830 86 W 4.4774 8.2208 121.1039 56.4002 29.2422 177.8685 87 L 4.0843 7.6050 119.4579 58.0023 41.1206 178.5662 88 E 4.1398 8.1893 117.4571 58.5091 29.9834 177.2019 89 P 2.9700 0.0000 0.0000 64.7565 31.1648 178.6255 90 V 3.6399 7.8541 119.0489 64.5013 31.2335 177.7071 91 Q 4.2953 7.5907 116.8387 57.4889 28.4854 177.8417 92 F 4.6662 8.0222 119.0570 59.7111 39.1753 176.4155 93 L 4.3389 7.6110 117.1788 54.1644 41.3676 178.1655 94 R 4.1352 7.5537 117.2737 60.1065 29.2941 178.1516 95 S 4.2245 8.2310 115.8148 61.1015 61.4665 176.6889 96 V 3.4716 7.7215 119.8061 66.5741 31.0131 178.0479 97 F 4.7695 8.1048 116.8680 60.1432 38.5606 177.4744 98 A 4.2707 8.7024 120.2361 53.8923 18.4264 177.7089 99 N 4.7726 7.3548 112.9866 53.1059 38.8105 174.4158 100 S 4.8671 7.7987 112.7997 56.4826 63.5019 173.5124 101 L 4.5866 8.5651 126.5008 54.6169 41.9104 176.8694 102 V 3.8703 7.6898 120.2712 62.5553 31.8632 175.4815 103 Y 4.5644 8.2941 124.6340 58.5544 35.8381 175.3944 104 G 3.9491 8.9795 115.9711 46.1725 0.0000 171.5332 105 A 4.6943 7.2734 117.9477 51.4146 21.2412 178.8417 106 S 4.9566 8.3475 113.7218 58.6385 63.5304 176.6774 107 D 3.8848 9.2032 120.9355 57.3422 40.6222 177.0460 108 S 4.6254 9.2109 120.5337 57.8645 64.1257 173.4849 109 N 3.9879 7.9803 116.4657 57.4806 38.4077 176.0640 110 V 3.3529 7.5398 118.2792 66.5860 31.5531 177.4791 111 Y 3.8554 7.8827 118.1024 60.7256 38.6600 177.7236 112 D 4.3397 8.2986 119.6668 57.3881 40.8815 178.6914 113 L 3.8939 8.1527 119.7178 57.8300 41.6525 179.4677 114 L 3.8667 7.7673 118.7052 57.7432 41.5912 179.7670 115 K 3.7569 7.4489 117.9910 59.4058 31.9957 178.6869 116 D 4.2559 8.0011 118.0799 57.5092 41.0741 178.0183 117 L 3.8867 8.0605 120.8695 58.2605 41.8705 178.5854 118 E 3.8982 8.1221 119.2057 59.2181 29.5841 178.4676 119 E 4.0228 8.1416 119.4861 59.0472 29.6651 179.0960 120 G 3.5932 8.1986 106.0445 47.6946 0.0000 175.9154 121 I 3.7420 8.0768 122.6549 64.1863 37.0274 178.3659 122 Q 4.0236 8.2473 119.0136 59.4082 28.5683 179.1915 123 T 3.8884 7.9803 116.3551 66.8050 68.3470 176.3667 124 L 3.9730 7.7026 119.5880 58.2902 41.8659 179.2888 125 M 4.2422 8.2253 117.8821 58.5532 32.0448 178.3165 126 G 3.6608 7.5448 104.6643 48.0856 0.0000 175.1089 127 R 4.0312 7.7203 120.0223 58.4766 30.0171 176.7254 128 L 4.1056 8.1021 117.4237 55.4564 42.5081 177.0163 *156 L 4.4505 7.9360 121.8627 55.4632 44.5826 178.3926 157 L 4.5510 7.8221 118.1151 56.8184 42.1366 178.4199 158 K 4.0134 8.1045 119.5297 59.8457 32.2907 178.2606 159 N 4.2611 8.0554 116.3471 56.3572 38.7046 176.5329 160 Y 3.9981 8.1863 121.0547 60.6039 38.9192 178.3638 161 G 3.3205 8.2688 106.7392 47.8884 0.0000 175.6720 162 L 4.2177 7.9553 121.7935 57.4257 41.5862 179.6799 163 L 4.2742 7.9666 119.1074 57.5465 41.4265 178.9419 164 Y 3.2134 7.6832 119.2842 60.5503 38.6556 176.9493 165 C 3.9684 8.0998 117.4282 60.2366 39.8763 175.9617 166 F 2.7106 8.6365 122.2058 60.8066 38.7393 176.6997 167 N 3.7861 7.5699 116.0029 56.3826 38.7044 176.3191 168 K 3.5244 7.4857 121.0053 59.9744 32.0579 178.2178 169 D 4.2862 8.0031 118.6109 57.6913 40.6795 178.9168 170 M 3.6806 7.6793 119.4733 58.0243 31.6906 178.7853 171 S 3.8617 8.3301 113.7788 61.0079 62.4469 176.1740 172 K 3.3600 7.8708 121.4865 59.2193 31.7540 179.1559 173 V 3.4467 7.5789 118.3133 66.1172 31.4202 177.5755 174 S 4.1151 7.9871 112.8136 62.1323 62.2581 176.3270 175 T 3.8741 8.3390 118.5637 66.8420 68.0820 176.2977 176 Y 4.3581 7.9679 118.7889 61.3570 37.9948 178.4667 177 L 4.0905 8.4979 120.2037 57.6366 41.6038 179.6769 178 R 3.5897 8.3158 119.0595 59.3691 29.8705 178.5717 179 T 3.7749 7.7521 115.0815 66.8488 68.2259 176.7882 180 V 3.9658 7.9502 121.2980 65.3785 31.5176 177.8348 181 Q 3.8487 8.1876 119.6204 58.8220 28.7203 176.7364 182 C 4.3813 8.0810 115.1379 60.0368 28.3362 175.1422 183 R 4.4580 7.3460 119.4785 57.0642 30.6292 176.5856 184 S 4.3056 7.3038 118.2044 56.9883 62.6349 173.3697 *188 S 4.3260 8.0362 124.0961 58.7928 63.5801 170.0069 189 C 4.6524 7.3785 114.1054 60.1240 33.9973 174.7116 190 G 3.7315 8.3715 111.4773 46.5818 0.0000 172.8217 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 F 8.31 4.59 0.00 3.06 2.19 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 0.00 2 P 0.00 4.63 0.00 2.33 2.16 0.00 3.54 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 1.85 2.29 0.00 3 T 8.89 4.42 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 1.29 0.00 0.00 4 I 7.87 3.11 1.90 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 1.50 0.55 0.94 0.00 0.00 5 P 0.00 4.52 0.00 2.21 2.23 0.00 3.76 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 6 L 8.29 4.15 0.00 1.71 1.75 0.92 0.85 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 7 S 8.08 4.15 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 8 R 8.13 3.94 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.33 0.00 9 L 7.62 4.18 0.00 1.96 1.79 0.94 1.01 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 10 A 8.09 4.07 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 11 D 8.65 5.11 0.00 3.00 2.82 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 12 N 8.43 4.35 0.00 2.76 2.88 0.00 0.00 6.99 6.65 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 13 A 8.38 3.99 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 14 W 8.16 4.07 0.00 3.48 3.48 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 0.00 0.00 0.00 0.00 15 L 7.96 3.06 0.00 1.83 1.56 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.95 3.73 0.00 2.05 1.88 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 17 A 7.81 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.98 3.92 0.00 1.58 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 0.00 0.00 0.00 19 R 7.56 3.71 0.00 1.80 1.75 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 20 L 7.60 3.52 0.00 1.69 1.43 0.82 0.57 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 21 N 7.52 4.05 0.00 2.73 2.83 0.00 0.00 6.80 6.98 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 22 Q 7.82 3.98 0.00 2.49 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 23 L 8.48 3.79 0.00 1.77 1.67 0.83 0.49 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 24 A 7.97 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.58 4.51 0.00 3.06 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 26 D 8.62 4.19 0.00 2.63 2.47 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 27 T 7.88 4.19 4.42 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 1.40 0.00 0.00 28 Y 7.60 4.12 0.00 3.28 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 29 Q 8.15 3.58 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 30 E 8.45 3.89 0.00 2.04 2.23 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 2.41 2.36 0.00 31 F 8.68 4.20 0.00 3.34 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 32 E 8.04 3.62 0.00 1.81 1.79 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 2.08 1.96 0.00 33 E 8.47 4.12 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 34 A 7.47 4.31 0.65 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 35 Y 7.64 4.33 0.00 2.38 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 36 I 7.37 4.05 1.64 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.87 0.00 0.00 37 P 0.00 4.35 0.00 2.21 2.17 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 38 K 8.62 4.06 0.00 1.88 1.98 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.49 7.81 39 E 8.23 4.27 0.00 2.01 1.88 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 2.21 1.87 0.00 40 Q 9.71 4.73 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 41 I 7.73 4.06 1.87 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 1.45 1.36 0.83 0.00 0.00 42 H 9.12 2.00 0.00 2.88 1.59 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.67 4.45 0.00 4.14 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 0.00 44 F 6.36 4.32 0.00 3.21 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 45 W 6.68 4.29 0.00 1.78 2.14 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 46 W 7.12 4.93 0.00 3.43 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.08 4.77 0.00 2.65 2.63 0.00 0.00 6.98 7.64 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 48 P 0.00 4.34 0.00 2.08 2.21 0.00 3.68 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 2.09 2.21 0.00 49 Q 7.89 4.50 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.58 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 50 T 7.79 4.48 4.31 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 1.28 0.00 0.00 51 S 8.17 4.67 0.00 3.95 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 52 L 7.83 4.18 0.00 1.66 1.62 0.94 0.80 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 53 C 8.35 5.08 0.00 2.97 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 54 P 0.00 3.86 0.00 0.84 1.35 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 55 S 7.63 4.70 0.00 3.98 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 56 E 8.11 3.58 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 2.39 2.46 0.00 57 S 7.95 4.39 0.00 3.82 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 58 I 8.11 4.28 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.95 0.00 0.00 59 P 0.00 4.39 0.00 2.15 2.07 0.00 3.72 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 1.97 1.94 0.00 60 T 8.19 4.59 4.42 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 1.34 0.00 0.00 61 P 0.00 4.44 0.00 2.05 2.06 0.00 3.38 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 62 S 9.45 4.69 0.00 3.94 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 63 N 7.41 4.21 0.00 2.93 2.95 0.00 0.00 5.78 7.82 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 64 K 8.27 3.88 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.53 7.81 65 E 8.27 3.94 0.00 2.14 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 2.33 2.38 0.00 66 E 8.88 4.04 0.00 2.12 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 2.32 2.52 0.00 67 T 8.21 3.82 4.39 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 1.28 0.00 0.00 68 Q 8.21 4.01 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 69 Q 7.87 4.07 0.00 2.04 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 70 K 7.05 4.25 0.00 1.83 1.63 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 71 S 8.53 4.70 0.00 3.98 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 72 N 8.58 4.34 0.00 2.82 2.92 0.00 0.00 6.37 6.74 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 73 L 7.67 4.20 0.00 1.73 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.61 4.11 0.00 1.99 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 2.26 2.56 0.00 75 L 7.85 3.95 0.00 1.78 1.73 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.68 4.18 0.00 1.82 1.73 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.81 3.92 0.00 1.99 1.89 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 78 I 7.34 3.70 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 1.56 0.41 1.06 0.00 0.00 79 S 8.04 4.28 0.00 4.13 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 80 L 8.10 4.01 0.00 1.83 1.71 0.93 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 81 L 8.77 4.00 0.00 2.04 1.73 0.94 0.59 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 82 L 8.20 4.06 0.00 1.92 1.87 1.10 1.04 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 83 I 8.08 3.96 2.10 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 1.89 0.85 0.95 0.00 0.00 84 Q 8.30 4.05 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 85 S 7.97 4.14 0.00 3.91 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 86 W 8.22 4.48 0.00 3.64 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.61 4.08 0.00 1.70 1.86 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.19 4.14 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 89 P 0.00 2.97 0.00 1.74 1.78 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 90 V 7.85 3.64 2.27 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 1.07 0.00 0.00 0.42 0.00 0.00 91 Q 7.59 4.30 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 92 F 8.02 4.67 0.00 3.07 2.96 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 93 L 7.61 4.34 0.00 1.14 0.97 0.87 1.14 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 94 R 7.55 4.14 0.00 2.07 2.22 0.00 3.13 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 95 S 8.23 4.22 0.00 3.87 3.98 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 0.00 0.00 0.00 96 V 7.72 3.47 1.73 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 0.97 0.00 0.00 0.85 0.00 0.00 97 F 8.10 4.77 0.00 3.36 3.35 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 98 A 8.70 4.27 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 99 N 7.35 4.77 0.00 2.87 2.87 0.00 0.00 6.87 7.45 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 0.00 100 S 7.80 4.87 0.00 4.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.57 4.59 0.00 1.72 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.69 3.87 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 0.66 0.00 0.00 1.01 0.00 0.00 103 Y 8.29 4.56 0.00 3.17 2.94 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 0.00 112 D 8.30 4.34 0.00 3.09 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 0.00 113 L 8.15 3.89 0.00 1.71 1.62 0.82 0.53 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 0.00 114 L 7.77 3.87 0.00 1.54 1.54 0.85 0.76 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 0.00 115 K 7.45 3.76 0.00 1.76 1.76 0.00 1.57 0.00 0.00 1.44 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.67 1.58 7.81 116 D 8.00 4.26 0.00 2.70 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 0.00 117 L 8.06 3.89 0.00 1.75 1.83 0.95 1.10 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 0.00 118 E 8.12 3.90 0.00 2.18 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 2.30 2.31 0.00 119 E 8.14 4.02 0.00 2.10 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 2.30 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1.84 1.48 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *156 L 7.94 4.45 0.00 1.73 1.76 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.82 4.55 0.00 1.98 1.78 1.16 0.87 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 0.00 158 K 8.10 4.01 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.60 7.81 159 N 8.06 4.26 0.00 3.12 2.59 0.00 0.00 6.74 7.48 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 0.00 160 Y 8.19 4.00 0.00 3.41 3.19 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 0.00 161 G 8.27 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 0.00 0.00 0.00 162 L 7.96 4.22 0.00 1.98 1.89 1.14 0.77 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 0.00 163 L 7.97 4.27 0.00 1.92 2.00 0.40 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 7.68 3.21 0.00 2.07 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 0.00 0.00 0.00 0.00 165 C 8.10 3.97 0.00 3.54 3.73 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 0.00 166 F 8.64 2.71 0.00 2.28 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 0.00 167 N 7.57 3.79 0.00 2.83 2.54 0.00 0.00 6.83 7.65 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 0.00 168 K 7.49 3.52 0.00 1.21 1.56 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.35 7.81 169 D 8.00 4.29 0.00 2.64 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 0.00 170 M 7.68 3.68 0.00 1.51 1.61 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.03 0.00 171 S 8.33 3.86 0.00 3.73 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 0.00 172 K 7.87 3.36 0.00 1.76 1.26 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.42 7.81 173 V 7.58 3.45 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 1.00 0.00 0.00 0.97 0.00 0.00 174 S 7.99 4.12 0.00 4.00 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 0.00 175 T 8.34 3.87 4.13 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 1.23 0.00 0.00 176 Y 7.97 4.36 0.00 3.05 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 0.00 177 L 8.50 4.09 0.00 1.83 1.86 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.32 3.59 0.00 1.74 2.00 0.00 2.48 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.43 0.00 179 T 7.75 3.77 4.50 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 1.21 0.00 0.00 180 V 7.95 3.97 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 1.25 0.00 0.00 1.04 0.00 0.00 181 Q 8.19 3.85 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 182 C 8.08 4.38 0.00 2.94 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 0.00 183 R 7.35 4.46 0.00 1.99 1.95 0.00 3.09 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 184 S 7.30 4.31 0.00 3.80 3.75 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 0.00 0.00 0.00 0.00 *188 S 8.04 4.33 0.00 3.70 3.73 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 0.00 189 C 7.38 4.65 0.00 2.78 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 0.00 190 G 8.37 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.