NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3157 8.3049 118.1906 54.3869 33.3649 175.3421 2 Y 4.5162 7.7133 116.3239 53.6734 40.2178 174.6036 3 S 4.2869 8.8573 119.5606 58.7498 65.8180 175.1314 4 R 3.9021 8.7272 122.7795 59.7864 29.7604 178.7192 5 A 4.1407 8.0024 119.9161 55.3571 18.3970 179.2562 6 D 4.5498 8.2919 117.4250 57.5269 40.9655 179.1780 7 R 3.8341 8.2649 118.6650 59.2425 30.1609 178.7930 8 L 3.9969 8.0212 120.0398 58.2459 42.0343 178.8310 9 L 4.0159 8.1170 120.2509 57.8563 41.9730 178.8208 10 R 3.8491 8.1484 119.1034 59.3344 29.9742 178.5757 11 Q 3.9365 8.1361 117.8053 58.9633 28.7588 178.2512 12 F 4.1320 8.2216 121.6388 61.4587 39.3065 177.0187 13 S 3.7744 8.4425 112.8177 61.3585 62.2075 175.9854 14 L 3.8812 7.8760 121.5287 57.6273 41.1634 179.3376 15 K 3.7782 8.0776 118.6605 59.5923 32.2223 178.1074 16 L 4.0023 7.3191 115.2480 54.6506 41.5338 176.6621 17 N 4.3733 8.1190 116.6967 54.2798 37.7222 173.2601 18 T 4.6466 7.5951 108.5657 60.0108 70.5828 173.2246 19 D 4.6639 8.4008 123.0267 54.8327 41.5950 178.2222 20 S 4.1496 8.1025 115.9446 61.0223 62.9488 174.4870 21 I 4.0519 7.4122 120.8437 60.5282 35.6505 175.1186 22 V 4.3800 7.5270 123.0263 59.6345 34.2067 174.7819 23 F 4.5104 8.5012 121.1098 57.4845 39.3857 175.5503 24 D 4.8241 8.9150 126.0254 51.7051 40.8070 176.8811 25 E 3.5294 8.7538 116.6870 58.8453 29.2024 177.3602 26 N 4.7323 8.2931 115.2252 52.5533 39.2116 174.6412 27 R 3.9629 9.0036 117.9261 57.4554 28.2600 175.2324 28 L 5.4173 8.7243 117.2723 53.2412 44.9120 175.5989 29 C 4.9922 9.2976 122.7593 57.8747 34.6626 172.3568 30 S 5.2934 8.7759 121.0060 56.6782 64.5691 172.5794 31 F 4.9904 8.5223 120.2319 56.2839 41.7403 172.4583 32 I 5.0873 8.5302 119.6398 59.6985 39.4489 175.3325 33 I 4.4213 9.1465 128.0277 60.7242 39.5127 175.7898 34 D 4.4861 9.4845 124.7897 55.7819 38.4941 173.5849 35 N 4.2246 8.6169 111.8870 54.2768 37.7488 174.0038 36 R 4.1378 7.7071 113.1946 56.6082 32.8566 174.6023 37 Y 4.7688 8.0371 116.7625 56.4214 40.0205 175.5755 38 R 4.7357 8.8093 124.6067 55.5073 31.4459 175.3520 39 I 4.8168 8.5381 126.4556 59.3567 39.5438 174.6629 40 L 5.0985 9.2580 129.2711 53.2305 44.7822 174.7792 41 L 5.4817 9.3326 126.5132 53.2290 44.6319 175.5285 42 T 5.5609 8.9397 112.5783 59.1589 72.1356 173.0530 43 S 4.9224 8.1511 117.5912 56.7919 61.4273 172.7209 44 T 4.1209 7.9647 112.6270 61.6799 70.2187 175.6218 45 N 4.5804 7.2914 119.2232 52.0784 40.2094 174.4185 46 S 4.2869 8.2753 115.3996 59.3739 63.0286 174.1655 47 E 4.7364 7.7145 118.0891 57.4984 31.4188 174.9120 48 Y 5.3136 7.2392 115.2865 55.8753 41.1728 173.9759 49 I 4.7291 9.3372 121.7274 60.0336 40.0070 174.8465 50 M 4.6801 8.8843 126.4396 54.7566 33.7021 175.2335 51 I 4.6665 8.3884 124.2167 59.7476 40.0464 174.0256 52 Y 5.0262 9.1616 125.7769 56.0759 40.7526 175.0417 53 G 4.2974 9.0305 112.6308 44.7357 0.0000 172.8218 54 F 4.5108 9.5578 126.6495 57.3213 38.6927 175.6930 55 C 4.3319 8.7313 122.4911 60.2297 29.0693 173.9905 56 G 3.8655 8.4442 104.3071 44.3498 0.0000 171.5842 57 K 4.7427 8.3938 118.2309 53.6737 33.1833 174.9922 58 P 4.4116 0.0000 0.0000 62.3590 31.5618 174.3412 59 P 4.4776 0.0000 0.0000 62.2174 32.0041 176.5027 60 D 4.3679 8.6617 119.3027 54.4085 39.4866 176.1244 61 N 3.6192 8.0820 117.1068 53.3507 38.0683 174.6668 *64 L 4.0130 8.2162 123.0636 54.7098 44.0183 178.9835 65 A 4.1307 7.7946 119.7357 55.2741 18.1298 179.5641 66 F 4.1465 7.9753 115.7350 60.5969 38.9543 177.6239 67 E 3.9682 7.9993 118.0022 59.2290 29.3989 179.1871 68 F 4.5677 7.6682 117.6121 60.6597 38.7841 177.7167 69 L 4.1376 7.9755 117.6577 57.7959 41.6955 178.8057 70 N 4.5090 8.7426 117.2508 56.6463 38.9204 176.8261 71 A 4.0627 8.3737 122.3814 55.1237 18.4413 179.0575 72 N 4.7037 8.2981 115.0683 56.5676 38.9600 176.9973 73 L 4.0481 7.9194 120.8689 57.5756 41.8050 179.2032 74 W 3.9574 8.1093 128.3088 60.3834 30.5043 178.2145 75 F 4.3529 8.1322 117.1693 60.3727 38.4108 177.2883 76 A 3.9691 8.1520 120.5417 55.3275 17.9852 179.3884 77 E 3.9071 8.0550 116.2729 58.2933 29.6049 177.6975 78 N 4.5893 7.1151 114.2755 51.8959 39.3792 174.1062 79 N 4.0940 7.7347 115.5279 54.3475 36.6954 174.6574 80 G 4.1632 8.6239 106.7524 44.3992 0.0000 172.4026 81 P 4.7166 0.0000 0.0000 62.4641 32.5373 176.2172 82 H 4.4585 9.0272 119.0268 55.4634 29.9754 174.6997 83 L 4.5922 9.1422 126.5272 54.9063 42.5483 175.6043 84 C 5.0560 9.3541 123.4157 58.1043 33.0262 172.0756 85 Y 5.0523 8.4463 120.7667 55.8856 41.3026 173.4456 86 D 4.5738 7.6435 125.7865 52.2390 42.9769 176.6588 87 N 4.2750 8.7514 123.5885 56.5703 38.7771 176.1159 88 N 4.3687 8.0850 114.4936 56.3247 38.6901 176.0906 89 S 4.3772 8.0622 109.5078 58.1502 63.6869 174.3056 90 Q 3.5900 7.4108 117.1471 55.7805 27.0655 173.4331 91 S 5.0963 6.9255 110.1726 56.1600 66.8185 173.2542 92 L 4.7908 8.7038 121.3131 54.9358 42.7997 176.1946 93 L 4.8348 8.8218 121.5159 54.4034 44.4411 174.3860 94 L 4.8827 8.6133 121.2409 53.5182 43.3523 175.2581 95 A 5.1029 9.0211 126.4829 49.9454 21.8992 174.8895 96 L 4.7400 8.4841 123.7618 53.1169 45.6794 174.7506 97 N 4.6943 8.8334 125.6293 53.2916 39.7658 173.7694 98 F 4.6567 9.6593 131.1807 56.4753 40.8639 174.7348 99 S 4.6179 8.0522 122.0675 58.3622 62.2967 174.1218 100 L 4.2882 9.1638 127.2544 56.7825 42.2092 177.4923 101 N 4.2936 7.7065 117.2940 54.4222 38.8765 174.8000 102 E 3.7988 8.6585 123.2231 57.3838 27.2726 174.5263 103 S 4.8560 7.9519 111.1389 56.8840 65.6594 173.8251 104 S 4.8696 8.2564 116.4636 55.7419 67.5475 175.2826 105 V 3.6822 8.4162 122.2528 65.3046 30.6164 178.2978 106 E 4.0366 8.1995 118.5489 59.2194 29.3499 179.2964 107 K 4.1178 8.0403 118.7060 59.1337 32.0922 179.2512 108 L 3.1602 7.8862 120.3767 57.9806 41.8892 178.8063 109 E 4.1022 8.0368 118.2541 59.7574 29.3841 179.2802 110 C 4.2079 7.9251 116.6002 62.8101 28.2532 175.9953 111 E 4.1423 8.4408 120.3252 59.4196 29.0455 179.4601 112 I 3.7170 8.2014 120.4246 64.1339 37.1117 178.1176 113 E 3.9082 8.4167 120.8148 59.1004 29.4977 178.8188 114 V 3.6027 8.2705 118.7945 66.1096 31.5097 178.1913 115 V 3.5105 7.6878 117.6478 65.9552 31.3507 178.0830 116 I 3.2778 7.7109 119.4430 64.3932 36.9363 178.6008 117 R 3.9374 8.3535 119.1776 59.5114 29.8819 179.3933 118 S 4.5683 8.2562 114.8953 61.7121 62.7822 176.6889 119 M 3.8330 8.0258 121.6432 58.1795 31.2739 178.3176 120 E 4.1843 8.3180 119.4960 59.5244 29.8475 178.3814 121 N 4.3253 8.7474 116.8284 56.3441 38.4342 177.1772 122 L 3.9964 8.0141 121.4518 58.3993 42.2443 178.2531 123 Y 4.5871 7.7252 114.7421 59.9472 37.4272 177.2617 124 H 4.5381 7.5190 115.9572 57.6980 29.8529 176.9900 125 I 3.8069 7.6646 120.1565 63.1881 37.1277 177.2683 126 L 4.5764 7.7678 119.3250 55.6463 42.3534 178.3099 127 Q 4.0617 7.8950 119.8809 58.6645 28.9435 177.5137 128 D 4.4456 8.0301 118.0338 55.6863 39.8771 176.8992 129 K 4.2036 8.0775 116.9104 55.9661 32.2913 176.7087 130 G 3.9286 8.1425 106.1929 45.9389 0.0000 173.8216 131 I 4.6208 7.8103 112.1726 59.1091 40.4560 174.2078 132 T 4.6988 8.3874 118.1145 60.0845 70.3143 172.6817 133 L 4.8475 8.7298 126.9356 52.7559 43.2490 176.1938 134 D 4.7713 8.2867 121.9600 52.0321 41.3475 176.7177 135 T 3.9928 8.3645 109.0662 64.0789 69.0686 174.0767 136 D 4.4742 7.7938 126.0343 52.4787 39.5776 175.3022 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 8.30 4.32 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.65 0.00 2 Y 7.71 4.52 0.00 3.06 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 3 S 8.86 4.29 0.00 4.05 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 4 R 8.73 3.90 0.00 1.93 2.02 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 5 A 8.00 4.14 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 6 D 8.29 4.55 0.00 3.06 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 7 R 8.26 3.83 0.00 1.91 2.01 0.00 3.24 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 8 L 8.02 4.00 0.00 2.05 1.88 0.99 0.53 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 9 L 8.12 4.02 0.00 1.99 1.73 0.74 -0.24 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 10 R 8.15 3.85 0.00 1.96 2.04 0.00 3.11 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 11 Q 8.14 3.94 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 12 F 8.22 4.13 0.00 2.97 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 13 S 8.44 3.77 0.00 4.06 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 14 L 7.88 3.88 0.00 1.81 1.65 0.87 0.73 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 15 K 8.08 3.78 0.00 1.66 1.98 0.00 1.78 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 16 L 7.32 4.00 0.00 1.43 1.37 0.28 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.12 4.37 0.00 2.76 2.89 0.00 0.00 6.79 7.34 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 18 T 7.60 4.65 4.15 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 1.10 0.00 0.00 19 D 8.40 4.66 0.00 2.67 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 20 S 8.10 4.15 0.00 3.80 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 21 I 7.41 4.05 1.72 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.28 0.82 0.00 0.00 22 V 7.53 4.38 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 0.78 0.00 0.00 0.98 0.00 0.00 23 F 8.50 4.51 0.00 3.15 3.02 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 24 D 8.91 4.82 0.00 2.87 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 25 E 8.75 3.53 0.00 2.11 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 2.31 2.38 0.00 26 N 8.29 4.73 0.00 2.76 2.89 0.00 0.00 6.98 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 27 R 9.00 3.96 0.00 1.83 1.86 0.00 3.20 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 28 L 8.72 5.42 0.00 1.71 1.62 0.95 0.70 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 29 C 9.30 4.99 0.00 2.68 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 30 S 8.78 5.29 0.00 3.85 3.68 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 31 F 8.52 4.99 0.00 3.18 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 32 I 8.53 5.09 1.94 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 1.36 0.69 1.03 0.00 0.00 33 I 9.15 4.42 2.21 0.00 0.00 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 1.58 1.23 1.11 0.00 0.00 34 D 9.48 4.49 0.00 3.02 2.79 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 35 N 8.62 4.22 0.00 2.78 2.80 0.00 0.00 6.90 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 36 R 7.71 4.14 0.00 1.53 1.14 0.00 3.08 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.23 0.00 37 Y 8.04 4.77 0.00 3.05 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 38 R 8.81 4.74 0.00 1.87 1.82 0.00 3.16 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 39 I 8.54 4.82 0.56 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 1.22 1.05 0.61 0.00 0.00 40 L 9.26 5.10 0.00 1.81 1.95 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.33 5.48 0.00 1.74 1.75 0.87 0.60 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 42 T 8.94 5.56 4.34 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 1.50 0.00 0.00 43 S 8.15 4.92 0.00 3.10 2.89 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 44 T 7.96 4.12 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 1.18 0.00 0.00 45 N 7.29 4.58 0.00 2.14 1.85 0.00 0.00 6.91 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 46 S 8.28 4.29 0.00 3.80 3.81 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 0.00 0.00 0.00 47 E 7.71 4.74 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 2.31 2.28 0.00 48 Y 7.24 5.31 0.00 3.06 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 49 I 9.34 4.73 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 1.08 0.00 0.00 50 M 8.88 4.68 0.00 1.31 1.97 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.93 0.00 51 I 8.39 4.67 1.84 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 1.09 0.66 0.82 0.00 0.00 52 Y 9.16 5.03 0.00 2.93 2.59 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 0.00 0.00 0.00 53 G 9.03 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 0.00 0.00 0.00 0.00 54 F 9.56 4.51 0.00 3.02 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 55 C 8.73 4.33 0.00 2.90 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 56 G 8.44 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.39 4.74 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.42 7.81 58 P 0.00 4.41 0.00 2.34 2.32 0.00 4.08 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 59 P 0.00 4.48 0.00 2.11 2.10 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 60 D 8.66 4.37 0.00 2.64 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 61 N 8.08 3.62 0.00 2.92 3.07 0.00 0.00 6.29 7.79 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 *64 L 8.22 4.01 0.00 1.68 1.54 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.79 4.13 1.13 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 0.00 0.00 66 F 7.98 4.15 0.00 3.09 3.08 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 67 E 8.00 3.97 0.00 1.69 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 2.30 2.18 0.00 68 F 7.67 4.57 0.00 3.31 3.03 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 69 L 7.98 4.14 0.00 1.89 1.83 0.70 0.84 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 70 N 8.74 4.51 0.00 2.98 3.02 0.00 0.00 7.06 8.88 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 71 A 8.37 4.06 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 72 N 8.30 4.70 0.00 3.25 2.98 0.00 0.00 7.11 5.96 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 73 L 7.92 4.05 0.00 2.08 1.76 0.96 0.79 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 74 W 8.11 3.96 0.00 3.24 2.89 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 75 F 8.13 4.35 0.00 3.21 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 76 A 8.15 3.97 1.32 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 77 E 8.06 3.91 0.00 2.05 1.69 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 2.23 2.42 0.00 78 N 7.12 4.59 0.00 2.05 2.34 0.00 0.00 7.05 7.35 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 79 N 7.73 4.09 0.00 2.77 2.86 0.00 0.00 6.78 9.00 0.00 0.00 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 G 8.62 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 81 P 0.00 4.72 0.00 1.71 1.90 0.00 3.46 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 82 H 9.03 4.46 0.00 3.08 3.23 0.00 5.80 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 83 L 9.14 4.59 0.00 1.65 1.81 0.79 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.35 5.06 0.00 2.74 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 85 Y 8.45 5.05 0.00 2.99 2.79 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 86 D 7.64 4.57 0.00 2.50 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 87 N 8.75 4.27 0.00 2.66 2.83 0.00 0.00 7.14 8.00 0.00 0.00 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 N 8.09 4.37 0.00 2.82 2.82 0.00 0.00 6.90 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 89 S 8.06 4.38 0.00 4.15 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 90 Q 7.41 3.59 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 91 S 6.93 5.10 0.00 4.01 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 92 L 8.70 4.79 0.00 1.47 1.41 -0.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.82 4.83 0.00 1.34 0.95 0.84 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.61 4.88 0.00 1.45 1.41 0.68 -0.03 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 95 A 9.02 5.10 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 96 L 8.48 4.74 0.00 1.64 1.38 0.91 0.60 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 97 N 8.83 4.69 0.00 2.56 2.57 0.00 0.00 7.05 7.02 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 98 F 9.66 4.66 0.00 3.12 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 99 S 8.05 4.62 0.00 3.79 3.49 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 0.00 100 L 9.16 4.29 0.00 1.66 1.75 0.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.71 4.29 0.00 2.65 2.73 0.00 0.00 7.07 7.37 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 0.00 102 E 8.66 3.80 0.00 2.02 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 2.21 2.33 0.00 103 S 7.95 4.86 0.00 4.23 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 0.00 104 S 8.26 4.87 0.00 4.05 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 0.00 105 V 8.42 3.68 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 0.85 0.00 0.00 1.04 0.00 0.00 106 E 8.20 4.04 0.00 2.12 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 2.43 2.49 0.00 107 K 8.04 4.12 0.00 2.10 2.08 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 108 L 7.89 3.16 0.00 1.27 1.57 -0.10 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.04 4.10 0.00 2.30 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 2.67 2.63 0.00 110 C 7.93 4.21 0.00 3.13 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 0.00 111 E 8.44 4.14 0.00 2.10 2.10 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 2.86 2.98 0.00 112 I 8.20 3.72 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 1.04 0.00 0.00 113 E 8.42 3.91 0.00 2.28 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 2.32 2.36 0.00 114 V 8.27 3.60 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 0.95 0.00 0.00 1.03 0.00 0.00 115 V 7.69 3.51 2.16 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 0.90 0.00 0.00 0.89 0.00 0.00 116 I 7.71 3.28 1.78 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 1.10 0.45 0.05 0.00 0.00 117 R 8.35 3.94 0.00 1.84 2.06 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 118 S 8.26 4.57 0.00 3.92 3.72 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 0.00 119 M 8.03 3.83 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.45 0.00 120 E 8.32 4.18 0.00 2.23 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 2.57 2.63 0.00 121 N 8.75 4.33 0.00 3.07 2.73 0.00 0.00 6.69 6.60 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 0.00 122 L 8.01 4.00 0.00 1.98 1.60 1.13 0.69 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 0.00 123 Y 7.73 4.59 0.00 3.05 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 0.00 124 H 7.52 4.54 0.00 3.38 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.66 3.81 1.83 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.83 0.00 0.00 126 L 7.77 4.58 0.00 1.76 2.04 1.16 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.90 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 128 D 8.03 4.45 0.00 2.81 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 0.00 129 K 8.08 4.20 0.00 1.99 1.88 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 130 G 8.14 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 0.00 131 I 7.81 4.62 1.91 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 1.38 0.71 0.91 0.00 0.00 132 T 8.39 4.70 4.26 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 1.23 0.00 0.00 133 L 8.73 4.85 0.00 1.90 1.67 1.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.29 4.77 0.00 2.79 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 0.00 135 T 8.36 3.99 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 136 D 7.79 4.47 0.00 2.73 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 * Residues marked with a * may have inaccurate shift predictions.