NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.0638 8.1801 120.9654 55.2770 41.9178 176.4040 2 A 3.8074 7.8331 120.8199 52.4446 19.6619 175.8810 3 W 5.2964 9.6914 120.0103 55.1054 32.4771 175.0193 4 L 4.6072 9.5910 123.5373 54.4274 42.5298 178.0379 5 I 3.9174 8.8552 120.6143 64.7791 37.9741 178.1695 6 S 4.1900 8.1839 114.3193 61.4258 62.6363 176.2042 7 E 3.8907 8.0881 121.6047 59.2315 29.3800 178.6451 8 F 3.6593 8.4730 120.6095 61.1066 39.3257 176.8591 9 A 3.8987 7.9105 121.4869 54.5745 17.7430 179.5328 10 S 3.8824 7.6874 110.9970 61.3672 62.2313 176.3029 11 V 3.3984 7.4173 119.9721 65.6975 31.2756 177.4604 12 G 3.4493 7.4299 101.9312 43.0894 0.0000 172.7020 13 D 4.2637 7.2031 118.4037 55.3408 39.8613 173.3074 14 V 4.4262 7.5458 118.5042 60.5259 35.3977 174.7662 15 T 4.1917 8.0415 115.7961 61.2261 70.9318 175.9651 16 V 3.5889 8.1744 121.4317 66.0864 31.5925 178.0785 17 R 3.8550 8.0363 117.8025 59.6571 29.8014 178.2226 18 A 3.8215 7.8860 120.2020 54.8403 18.1529 179.6937 19 L 4.0241 7.6641 117.3543 57.9869 41.7132 179.7434 20 R 4.0050 8.3668 118.3854 59.3059 30.0008 178.3678 21 Y 4.1740 8.2199 119.3230 61.2057 38.8935 177.8000 22 Y 4.3098 8.2434 117.8526 61.2659 37.8266 178.3844 23 D 5.1097 8.5767 120.5788 56.5702 41.0898 178.2630 24 K 4.0192 8.0302 120.0191 59.0300 32.3265 177.9599 25 I 4.0706 7.3630 110.3045 59.9648 37.8689 174.8671 26 N 4.1779 7.5452 117.3370 55.0280 37.5988 174.7476 27 L 4.1472 8.3578 119.9653 55.9973 43.0546 176.1273 28 L 4.2316 7.5854 118.5993 54.5536 43.2682 173.0516 29 K 4.9952 8.4263 126.1597 53.3776 34.4168 174.8251 30 P 3.9409 0.0000 0.0000 62.8548 31.6164 176.7054 31 S 3.9911 8.4557 117.1120 61.1123 63.2206 174.7476 32 D 4.3322 7.0098 118.8235 54.0909 41.3871 175.2171 33 Y 5.1720 8.0117 116.0236 57.9000 43.4294 172.4174 34 T 4.1056 8.7491 114.2759 62.1286 67.4755 176.1143 35 E 4.6550 9.0069 115.7521 54.5830 34.4646 174.1223 36 G 4.0448 9.7846 104.9590 46.4530 0.0000 175.4184 37 G 3.7425 7.8498 106.3712 48.2518 0.0000 173.5214 38 H 4.7518 8.9503 120.6806 56.0507 29.7284 174.0573 39 R 3.6721 8.8260 117.7061 57.2726 28.9177 175.2365 40 L 4.4942 9.1152 135.0000 55.7870 40.4824 173.0241 41 Y 4.3855 8.2616 121.1473 56.7915 39.7890 174.9768 42 T 4.6397 9.0211 112.9063 59.4446 72.4425 175.1013 43 K 4.1592 8.2007 120.1218 59.4807 31.9868 178.2073 44 D 4.6760 7.9358 119.6774 57.2690 40.6544 178.2921 45 D 4.5221 8.0487 119.1977 57.1919 40.8222 178.2821 46 L 4.0845 8.1017 120.4905 58.4399 42.1084 178.6340 47 Y 4.4744 7.1941 115.8730 61.2848 37.8202 178.8886 48 V 3.9533 7.9223 118.9001 65.7043 31.5233 177.8140 49 L 3.9859 8.3631 120.5002 58.4878 41.9718 178.8607 50 Q 3.9915 8.8082 118.2989 59.1341 28.5993 179.2210 51 Q 4.0337 8.5991 119.2069 59.1280 28.9587 178.8167 52 I 3.8625 8.2086 121.1336 64.7541 37.1492 178.5596 53 Q 4.1161 8.5024 119.0197 58.9996 28.0630 178.9345 54 S 4.0169 8.1980 116.4625 61.5925 62.8418 176.5597 55 F 4.7006 7.9678 119.2940 59.6471 38.8187 178.2500 56 K 4.2054 8.2280 118.5660 59.5297 31.6665 178.4781 57 H 4.1681 8.1366 117.7313 59.3695 29.8408 176.4641 58 L 4.3323 7.4987 116.1000 54.9847 41.7441 177.7749 59 G 3.8870 8.4461 108.1498 45.1531 0.0000 174.0271 60 F 4.4919 8.0843 117.9114 57.1803 39.7886 176.0611 61 S 4.7527 8.2944 119.2994 57.4648 65.3381 175.5052 62 L 4.0664 8.7604 123.7520 58.3086 41.3092 180.1354 63 G 3.6514 8.1431 104.7624 48.0142 0.0000 175.3275 64 E 3.9672 8.1670 121.2399 58.8852 29.6192 179.3102 65 I 3.3429 8.0180 120.0704 64.2756 37.1375 178.0598 66 Q 3.8526 8.3621 120.5935 59.2981 28.6519 178.0784 67 N 4.1982 7.8122 115.7101 56.4888 38.7080 176.9246 68 I 3.6231 7.8116 119.6497 64.7054 37.4080 178.1874 69 I 3.8267 7.9881 120.5568 64.2514 36.5862 178.2092 70 L 4.5480 7.4710 116.5882 54.1422 41.5559 176.5397 71 Q 4.5563 7.4857 116.9033 54.5827 33.1273 175.2256 72 R 4.1575 8.5810 119.6467 58.3749 30.6365 176.3507 73 D 4.8605 7.7136 114.9912 52.5670 44.1314 175.2466 74 I 4.1045 8.0266 121.5870 59.9135 38.6774 173.1242 75 E 3.5081 8.0301 121.9395 56.5131 27.3995 174.9436 76 T 3.6370 7.7266 118.9965 66.2927 68.7550 175.9097 77 E 3.5860 7.9576 116.8032 59.7153 30.6917 179.4766 78 V 3.6256 7.8661 118.9391 65.0492 31.6173 178.3117 79 F 4.2024 7.9291 119.0226 61.4171 39.4173 176.7081 80 L 4.0841 8.4577 117.5571 57.8705 41.6869 179.2486 81 R 4.1514 8.0478 118.5334 59.4299 29.9661 178.5170 82 Q 4.1208 7.7385 113.5658 57.7607 28.4434 177.4130 *84 H 4.6534 8.0712 121.9808 56.1570 32.0364 175.1690 85 F 3.9897 8.3982 121.0908 61.4992 39.2358 177.1315 86 Q 3.8591 7.8864 117.1636 58.8081 28.2724 179.1566 87 R 3.7769 7.5897 119.3997 59.3826 30.1414 178.2360 88 E 3.8178 7.6862 118.2486 59.1977 29.3385 179.4929 89 V 3.3586 7.3291 118.3445 65.7950 31.5394 178.1912 90 L 3.8988 7.6794 118.7277 57.6354 41.4706 179.3721 91 L 3.8893 8.1634 119.0878 57.7808 41.5864 179.3280 92 A 3.9383 8.0602 120.7911 55.2753 18.1953 179.3360 93 E 3.8481 8.0450 117.7248 59.3266 29.5592 178.7059 94 Q 3.9193 8.4504 120.0649 59.3402 28.9664 178.2896 95 E 3.9802 8.3396 119.6108 59.3025 29.4624 179.3100 96 R 3.9117 7.9543 118.8880 59.5121 30.1249 178.7174 97 I 3.7522 8.1167 119.6668 63.9946 37.0195 178.2102 98 A 3.9658 7.7614 121.8381 55.0683 18.1277 179.9175 99 K 3.7989 7.7644 117.0277 59.5462 31.9591 179.6136 100 V 3.4698 7.3741 117.1008 66.0513 31.4267 177.6331 101 L 4.0816 7.7365 117.3556 57.9901 41.8328 179.1862 102 S 4.2223 7.7892 112.4847 61.5067 61.9788 175.7931 103 H 4.0933 7.8629 114.9763 56.6913 28.4573 175.6345 *105 D 4.5644 8.0399 123.1606 54.4056 42.8947 176.9459 106 E 3.9141 7.7012 115.9707 57.3580 29.0914 178.1722 *108 T 4.3689 7.9278 114.3718 63.3216 70.3739 176.1587 109 K 3.8641 7.8573 119.0517 59.7931 32.0723 179.2199 110 K 3.9576 8.0634 117.6885 58.4832 32.2335 178.4327 111 F 4.6643 8.0811 114.9575 57.0035 39.8007 177.2096 112 Q 3.9977 8.3252 118.8606 59.2930 28.6582 178.9029 113 K 4.1011 7.9371 117.3452 59.0153 32.4545 177.4401 114 E 4.2155 8.1128 119.3452 56.0228 29.7688 176.9930 115 E 4.1815 8.8293 123.7839 58.7959 29.9943 177.2441 116 R 4.7715 7.5659 114.7576 54.5897 34.2934 174.5265 117 V 4.5766 7.8500 112.0074 58.7528 35.7175 175.4216 118 N 4.5564 8.7180 121.1908 53.1185 39.7492 175.9725 119 V 3.5616 8.5894 127.4421 66.1889 31.8728 177.6082 120 A 4.1553 8.0034 119.7306 55.2616 18.3413 179.1191 121 L 4.4882 9.0089 120.5231 56.5545 42.7834 176.0217 122 F 4.5973 8.3412 121.6983 55.3264 37.9800 174.9458 123 S 5.5629 7.8409 128.4331 58.4092 62.8174 179.3926 124 S 3.9177 7.5502 115.8959 61.4944 62.2942 176.5097 125 F 3.7772 7.9060 120.4774 60.1936 38.8322 177.2932 126 L 4.3200 7.7661 118.1187 57.8629 42.2736 178.6406 127 Q 4.1951 8.7936 119.6773 58.9335 28.5818 177.9672 128 T 3.9889 7.7099 106.8043 62.4090 69.9079 175.6652 129 F 4.3232 7.2626 123.2090 53.8516 35.8524 174.0479 130 I 4.0023 6.1216 110.7670 59.6797 40.1455 175.1729 131 W 4.1131 10.0646 120.0259 57.2460 28.8266 176.3383 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 L 8.18 4.06 0.00 1.59 1.73 0.82 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.83 3.81 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 3 W 9.69 5.30 0.00 3.56 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 4 L 9.59 4.61 0.00 1.69 1.68 0.98 0.68 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 5 I 8.86 3.92 2.06 0.00 0.00 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 1.81 1.33 1.00 0.00 0.00 6 S 8.18 4.19 0.00 4.10 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 0.00 7 E 8.09 3.89 0.00 2.50 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 2.49 2.48 0.00 8 F 8.47 3.66 0.00 3.10 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 9 A 7.91 3.90 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 10 S 7.69 3.88 0.00 3.85 3.88 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 11 V 7.42 3.40 1.36 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 0.23 0.00 0.00 0.20 0.00 0.00 12 G 7.43 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.20 4.26 0.00 2.66 2.58 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 14 V 7.55 4.43 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 0.90 0.00 0.00 0.97 0.00 0.00 15 T 8.04 4.19 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 16 V 8.17 3.59 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 1.16 0.00 0.00 0.95 0.00 0.00 17 R 8.04 3.86 0.00 1.90 1.89 0.00 3.16 0.00 0.00 3.30 7.55 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 A 7.89 3.82 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 19 L 7.66 4.02 0.00 2.00 1.89 0.96 0.90 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 20 R 8.37 4.01 0.00 1.98 2.05 0.00 3.38 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 21 Y 8.22 4.17 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.24 4.31 0.00 3.08 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 23 D 8.58 5.11 0.00 2.96 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 24 K 8.03 4.02 0.00 2.02 1.96 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 25 I 7.36 4.07 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.62 0.00 0.00 26 N 7.55 4.18 0.00 2.81 2.91 0.00 0.00 6.98 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 27 L 8.36 4.15 0.00 1.47 1.71 0.85 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.59 4.23 0.00 1.77 1.68 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.43 5.00 0.00 1.74 1.67 0.00 2.30 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 30 P 0.00 3.94 0.00 1.58 0.49 0.00 3.61 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 31 S 8.46 3.99 0.00 3.72 3.80 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 32 D 7.01 4.33 0.00 2.55 2.42 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 33 Y 8.01 5.17 0.00 2.90 2.71 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 34 T 8.75 4.11 4.28 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 1.22 0.00 0.00 35 E 9.01 4.65 0.00 1.91 1.85 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 2.22 2.37 0.00 36 G 9.78 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 0.00 0.00 0.00 37 G 7.85 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 0.00 0.00 0.00 38 H 8.95 4.75 0.00 3.35 3.58 0.00 5.66 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 39 R 8.83 3.67 0.00 1.79 1.25 0.00 3.49 0.00 0.00 3.10 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 40 L 9.12 4.49 0.00 1.73 1.67 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.26 4.39 0.00 2.68 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 0.00 0.00 0.00 0.00 42 T 9.02 4.64 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 1.09 0.00 0.00 43 K 8.20 4.16 0.00 1.72 1.83 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.31 1.58 7.81 44 D 7.94 4.68 0.00 2.75 2.81 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 45 D 8.05 4.52 0.00 3.04 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 46 L 8.10 4.08 0.00 2.05 1.70 0.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.19 4.47 0.00 3.29 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 48 V 7.92 3.95 2.35 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 1.05 0.00 0.00 1.07 0.00 0.00 49 L 8.36 3.99 0.00 2.06 1.87 1.09 0.54 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 50 Q 8.81 3.99 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.72 0.00 51 Q 8.60 4.03 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 52 I 8.21 3.86 2.05 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.76 0.00 0.00 53 Q 8.50 4.12 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 54 S 8.20 4.02 0.00 3.64 3.38 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 55 F 7.97 4.70 0.00 3.18 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 56 K 8.23 4.21 0.00 2.08 1.97 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.88 7.81 57 H 8.14 4.17 0.00 3.23 3.63 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.50 4.33 0.00 2.25 1.84 1.13 1.05 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 59 G 8.45 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.08 4.49 0.00 3.37 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 61 S 8.29 4.75 0.00 3.81 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 62 L 8.76 4.07 0.00 1.77 1.79 1.32 0.92 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 63 G 8.14 3.65 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 0.00 64 E 8.17 3.97 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 65 I 8.02 3.34 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 0.90 0.00 0.00 66 Q 8.36 3.85 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 67 N 7.81 4.20 0.00 2.85 2.81 0.00 0.00 7.14 6.79 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 68 I 7.81 3.62 1.45 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.29 0.18 0.00 0.00 69 I 7.99 3.83 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 0.90 0.00 0.00 70 L 7.47 4.55 0.00 1.74 1.65 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.49 4.56 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 72 R 8.58 4.16 0.00 1.72 1.90 0.00 3.20 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 73 D 7.71 4.86 0.00 2.59 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.03 4.10 1.71 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 1.34 0.97 0.55 0.00 0.00 75 E 8.03 3.51 0.00 2.17 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 2.31 2.32 0.00 76 T 7.73 3.64 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 77 E 7.96 3.59 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 78 V 7.87 3.63 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 1.07 0.00 0.00 0.98 0.00 0.00 79 F 7.93 4.20 0.00 3.06 3.33 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 80 L 8.46 4.08 0.00 1.80 1.77 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.05 4.15 0.00 1.94 2.16 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 82 Q 7.74 4.12 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.15 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 *84 H 8.07 4.65 0.00 3.29 3.52 0.00 5.67 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 85 F 8.40 3.99 0.00 3.30 3.21 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 0.00 0.00 0.00 0.00 86 Q 7.89 3.86 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.04 1.21 0.00 87 R 7.59 3.78 0.00 1.80 1.90 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 88 E 7.69 3.82 0.00 1.77 1.75 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 2.20 2.25 0.00 89 V 7.33 3.36 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 0.93 0.00 0.00 0.58 0.00 0.00 90 L 7.68 3.90 0.00 1.85 1.62 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.16 3.89 0.00 1.71 1.66 0.86 0.52 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 92 A 8.06 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.05 3.85 0.00 2.18 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 0.00 2.27 2.33 0.00 94 Q 8.45 3.92 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 95 E 8.34 3.98 0.00 2.22 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 2.33 2.30 0.00 96 R 7.95 3.91 0.00 2.05 2.00 0.00 3.10 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 97 I 8.12 3.75 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 0.89 0.00 0.00 98 A 7.76 3.97 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 K 7.76 3.80 0.00 1.88 1.75 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.64 7.81 100 V 7.37 3.47 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 0.82 0.00 0.00 1.03 0.00 0.00 101 L 7.74 4.08 0.00 1.79 1.68 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.79 4.22 0.00 3.83 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 0.00 103 H 7.86 4.09 0.00 3.18 3.12 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 D 8.04 4.56 0.00 2.83 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 0.00 106 E 7.70 3.91 0.00 2.01 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 1.85 2.15 0.00 *108 T 7.93 4.37 4.40 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 1.24 0.00 0.00 109 K 7.86 3.86 0.00 1.91 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.64 7.81 110 K 8.06 3.96 0.00 1.90 1.38 0.00 1.90 0.00 0.00 1.46 0.00 0.00 3.21 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.17 1.42 7.81 111 F 8.08 4.66 0.00 3.24 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 0.00 112 Q 8.33 4.00 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 113 K 7.94 4.10 0.00 1.71 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.35 7.81 114 E 8.11 4.22 0.00 2.18 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 2.38 2.55 0.00 115 E 8.83 4.18 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 116 R 7.57 4.77 0.00 1.74 1.76 0.00 3.30 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 117 V 7.85 4.58 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 0.92 0.00 0.00 0.65 0.00 0.00 118 N 8.72 4.56 0.00 2.82 2.80 0.00 0.00 6.68 7.71 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 0.00 119 V 8.59 3.56 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 0.92 0.00 0.00 0.90 0.00 0.00 120 A 8.00 4.16 1.43 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 0.00 0.00 121 L 9.01 4.49 0.00 1.96 2.02 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.34 4.60 0.00 2.77 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 0.00 123 S 7.84 5.56 0.00 4.16 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 0.00 124 S 7.55 3.92 0.00 4.01 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 0.00 125 F 7.91 3.78 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.77 4.32 0.00 1.38 1.78 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.79 4.20 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 128 T 7.71 3.99 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 1.08 0.00 0.00 129 F 7.26 4.32 0.00 3.14 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 0.00 130 I 6.12 4.00 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.38 1.05 0.00 0.00 131 W 10.06 4.11 0.00 3.41 3.10 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 * Residues marked with a * may have inaccurate shift predictions.