NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7663 8.3093 122.8414 58.4413 40.4670 173.9984 3 L 4.6895 7.7529 119.6701 54.6403 41.0714 175.2325 4 F 5.7474 8.6565 120.4795 58.4581 42.9526 174.3242 5 S 4.5099 7.4698 118.0131 57.2586 66.1448 172.6413 6 M 5.1443 8.0208 118.0454 54.1241 34.3505 173.7868 7 S 4.6932 8.6427 113.7136 57.8591 67.1245 172.7787 8 T 4.9487 8.2020 116.3719 61.4038 71.5183 174.4569 9 G 2.8469 7.9606 111.9821 44.2767 0.0000 171.3340 10 P 4.3395 0.0000 0.0000 62.3181 31.9924 176.3793 11 F 4.8968 8.1031 120.1822 55.2136 42.1536 175.2701 12 I 4.0528 8.2162 122.6333 61.7005 37.9429 175.8878 13 C 5.7234 8.8084 126.1089 55.4042 44.1500 172.4670 14 T 4.4954 8.8901 118.9347 61.3745 71.3381 171.7613 15 V 5.1866 8.2103 121.7643 61.0447 34.8348 174.7023 16 K 4.4778 9.0910 127.6961 55.9472 35.0092 175.8632 17 D 4.4457 9.8017 127.2005 55.6913 38.4691 174.5917 18 N 4.3815 8.1445 114.1194 53.3995 37.5237 173.9979 19 Q 4.3847 7.8886 121.1527 55.0809 30.4341 174.7661 20 V 4.3968 8.7392 128.0929 62.5327 33.1636 174.4917 21 F 5.4204 9.5875 126.9945 55.7146 41.9500 174.5503 22 V 4.8094 8.8053 123.1986 61.4000 34.3672 175.3295 23 A 3.7472 9.4165 130.7244 53.3729 16.4915 177.2584 24 N 4.3362 8.5140 112.9061 55.1485 36.4174 174.2061 25 L 4.7068 7.9277 119.4929 52.1106 43.5418 174.7532 26 P 4.3398 0.0000 0.0000 62.0990 29.6016 175.9297 27 W 4.5438 8.7741 135.0000 60.8029 31.0761 175.2225 28 T 4.3559 7.6529 111.7553 61.2391 70.5696 170.7804 29 M 5.0493 8.1844 123.9061 53.4945 34.6344 175.0353 30 L 4.2905 8.6523 126.1384 54.5599 43.0000 176.1049 31 E 4.7022 8.2407 120.2032 54.9625 35.0361 177.4815 32 G 3.7929 8.3425 109.2056 46.9237 0.0000 176.1590 33 D 4.5852 8.8114 123.3915 55.9273 40.8314 177.0238 34 D 4.6791 8.0262 119.2223 55.6769 41.0617 178.4733 35 I 3.6323 7.5578 120.9581 64.6378 37.1604 178.0744 36 Q 4.0356 8.0768 119.5685 59.0444 28.8057 178.1872 37 V 3.8113 7.8596 119.2643 65.8826 31.5653 178.0706 38 G 3.7718 8.4485 105.8664 47.7233 0.0000 175.8862 39 K 4.0490 8.0830 120.8665 59.3234 32.1213 179.3394 40 E 4.0119 8.4585 118.9050 59.3013 29.3328 179.1786 41 F 4.4209 8.7396 120.7108 61.4578 39.5708 176.8754 42 A 3.6316 8.4548 120.4865 55.0795 18.0175 179.4876 43 A 3.9040 7.9832 119.1529 55.2398 18.4703 179.7999 44 R 3.8031 7.9991 117.2541 59.5495 30.0843 178.9299 45 V 3.4674 7.8242 118.4030 65.8914 31.3887 177.6514 46 E 3.8622 8.1058 119.0814 59.1239 29.3877 178.2859 47 D 4.2531 8.2837 118.2391 57.5196 41.3817 177.4328 48 C 4.2389 8.5132 117.3393 60.4456 34.4683 176.3969 49 T 3.8366 8.1632 117.3157 66.9267 67.9900 176.8070 50 N 4.5151 8.3346 117.0129 54.8832 38.7190 176.2669 51 V 4.0358 7.5020 117.7761 64.4249 32.7788 176.9152 52 K 4.0415 8.1156 116.9397 57.0633 32.5263 176.5099 53 H 4.4724 8.1158 113.9446 55.8004 25.8305 175.2285 54 D 4.5723 8.7381 117.6919 53.3589 43.1517 174.0532 55 M 4.4312 8.5999 125.0100 54.8842 32.5606 176.4814 56 A 4.2075 8.2904 123.5429 51.1861 19.2557 177.7569 57 P 4.6114 0.0000 0.0000 65.2537 31.0509 178.9276 58 T 4.1912 7.8846 108.4892 63.9620 68.7673 176.2521 59 C 4.5219 7.9452 120.9917 59.1871 38.7585 175.3029 60 T 3.9271 7.9003 110.8450 62.3835 69.6540 173.8313 61 K 4.0356 8.4036 119.8127 56.2608 29.8404 173.2225 62 P 3.4496 0.0000 0.0000 61.9675 32.2469 175.6720 63 P 4.0618 0.0000 0.0000 60.7498 32.0552 175.4687 64 P 4.2022 0.0000 0.0000 65.3099 31.0851 177.8312 65 F 4.6569 7.1825 112.2084 58.2221 38.0353 176.4835 66 C 4.4704 8.0041 118.6485 57.4273 40.2241 174.4305 67 G 3.9256 7.9425 106.5708 43.8314 0.0000 171.5634 68 P 4.2122 0.0000 0.0000 63.0764 31.1929 177.7659 69 Q 4.1268 8.7569 121.6077 57.4270 28.8799 176.8458 70 D 4.8097 7.6928 116.5453 52.7771 40.0614 175.8257 71 M 4.3843 7.7643 117.5490 55.9771 32.6776 175.2489 72 K 5.0051 8.5519 118.5208 55.2521 35.1985 175.0918 73 M 5.1171 8.6660 122.0344 53.7783 35.9769 174.1698 74 F 5.2124 9.3534 123.2392 55.7533 43.4525 173.3535 75 N 5.0954 8.8592 121.4487 51.5361 40.7609 174.0860 76 F 5.4348 9.0379 122.5153 55.1113 43.2146 174.9885 77 V 3.7757 8.4060 119.7228 65.7746 30.8934 175.0865 78 G 4.1629 9.8473 116.7614 45.7756 0.0000 170.9330 79 C 5.1638 7.7603 111.1621 55.1822 45.6791 173.0528 80 S 5.4694 9.2402 114.4304 56.9026 67.4106 173.3909 81 V 5.0786 9.3036 122.3929 61.1916 34.4186 174.0407 82 L 5.0435 9.1385 129.4066 53.0317 44.9081 175.7461 83 G 4.0749 9.5058 116.4171 47.5700 0.0000 174.3624 84 N 5.3461 9.0438 117.1782 52.8926 39.2364 172.9371 85 K 5.0253 8.7644 117.2012 54.5435 36.5357 175.6753 86 L 5.0296 8.4907 126.1905 53.5310 44.3369 175.0813 87 F 5.3780 9.4034 124.0378 55.7882 43.1082 173.8354 88 I 4.7843 8.5061 123.4722 59.9913 40.5443 175.6158 89 D 4.2006 9.6083 126.2091 55.8449 38.2620 173.4728 90 Q 3.7382 8.5505 111.6870 56.8968 26.7655 173.8921 91 K 4.8282 7.9984 116.0815 54.2967 35.4360 175.5503 92 Y 3.9704 8.9111 124.4776 58.0034 39.3589 174.5921 93 V 3.9549 7.3105 126.6064 63.1866 33.2009 175.3154 94 R 3.7957 6.0053 113.5380 55.3135 32.2075 172.4622 95 D 5.0132 8.5347 119.0515 53.6263 41.7259 176.9831 96 L 4.2559 8.5395 123.2710 55.0881 42.5345 177.1182 97 T 4.4174 8.9439 113.1569 59.8012 71.2354 175.5544 98 A 4.1082 8.5313 122.7521 55.4078 18.1643 179.8992 99 K 3.9829 8.0482 116.4104 59.6521 32.1426 179.1179 100 D 4.5809 7.8395 119.2317 57.8784 40.7402 178.5683 101 H 4.2740 8.3062 116.4570 58.7898 28.6718 177.7392 102 A 4.0706 8.1183 122.7217 55.2535 18.1297 179.5848 103 E 3.9314 8.2661 117.1976 59.2383 29.3726 179.7529 104 V 3.5533 7.8402 118.5358 66.1381 31.5751 177.9733 105 Q 3.9517 8.1614 119.3125 59.3741 28.8031 178.2217 106 T 3.9888 8.0582 116.9717 66.4725 68.4679 176.4485 107 F 3.8364 8.3996 122.7485 61.2886 39.3970 177.3976 108 R 3.7399 8.2938 117.9225 59.3239 29.8383 178.9674 109 E 3.9582 8.4364 118.6096 59.2425 29.4223 179.5631 110 K 3.9398 7.9988 118.7718 59.1934 32.1001 179.5037 111 I 3.5852 7.7993 120.4109 64.0553 36.9637 178.2738 112 A 4.0146 8.1463 121.4750 55.1063 18.3281 179.3718 113 A 3.9180 8.0491 119.2782 55.5101 18.2480 179.6012 114 F 4.2323 8.5490 117.9691 61.4719 39.4139 176.9622 115 E 4.0185 8.0725 117.5421 59.3268 29.4692 178.5375 116 E 4.1072 7.9354 117.0469 57.1610 30.1901 178.2140 117 Q 4.6323 7.9277 122.4447 55.0226 30.2593 179.1306 *138 S 4.2726 8.5097 106.2068 56.6529 62.8684 170.9852 139 P 3.0693 0.0000 0.0000 62.1472 31.6679 175.5240 140 P 4.2080 0.0000 0.0000 61.9878 31.8447 174.3396 141 P 4.5813 0.0000 0.0000 61.0858 32.5020 174.1078 142 P 4.3115 0.0000 0.0000 61.5674 32.1251 174.4048 143 P 3.8174 0.0000 0.0000 62.5242 31.6484 177.9260 144 S 3.9902 9.0424 116.9007 61.1139 62.9144 176.2526 145 F 4.4409 6.8588 114.2653 58.6100 37.6227 175.4515 146 C 4.5994 7.8986 118.5664 58.6882 40.2796 173.3663 147 T 4.4863 7.6705 117.6668 62.3733 69.5948 175.0143 148 V 3.6775 8.4476 124.7537 62.2335 32.5414 172.1586 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 2 F 8.31 4.77 0.00 3.01 3.23 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 3 L 7.75 4.69 0.00 1.83 1.65 0.62 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.66 5.75 0.00 3.52 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 5 S 7.47 4.51 0.00 3.73 3.79 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 6 M 8.02 5.14 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 7 S 8.64 4.69 0.00 4.01 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 8 T 8.20 4.95 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 1.13 0.00 0.00 9 G 7.96 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 0.00 0.00 0.00 10 P 0.00 4.34 0.00 1.80 2.07 0.00 3.45 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 11 F 8.10 4.90 0.00 2.94 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 12 I 8.22 4.05 1.91 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 1.25 0.72 0.93 0.00 0.00 13 C 8.81 5.72 0.00 3.05 3.20 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 14 T 8.89 4.50 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 1.28 0.00 0.00 15 V 8.21 5.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.23 0.00 0.00 16 K 9.09 4.48 0.00 1.86 1.86 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 D 9.80 4.45 0.00 2.88 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 18 N 8.14 4.38 0.00 2.93 3.06 0.00 0.00 6.61 7.74 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 19 Q 7.89 4.38 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 20 V 8.74 4.40 2.28 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 1.28 0.00 0.00 0.74 0.00 0.00 21 F 9.59 5.42 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.81 4.81 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 0.72 0.00 0.00 0.86 0.00 0.00 23 A 9.42 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.51 4.34 0.00 2.84 2.91 0.00 0.00 7.03 7.85 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 25 L 7.93 4.71 0.00 1.30 0.38 0.41 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.34 0.00 2.16 1.99 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 27 W 8.77 4.54 0.00 3.47 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 28 T 7.65 4.36 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 1.29 0.00 0.00 29 M 8.18 5.05 0.00 1.92 1.76 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 2.43 2.44 0.00 30 L 8.65 4.29 0.00 1.37 1.39 0.33 -0.06 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 31 E 8.24 4.70 0.00 1.92 1.74 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 2.23 2.22 0.00 32 G 8.34 3.79 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 0.00 0.00 0.00 33 D 8.81 4.59 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.03 4.68 0.00 2.84 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 35 I 7.56 3.63 1.96 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 1.37 0.51 0.91 0.00 0.00 36 Q 8.08 4.04 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 37 V 7.86 3.81 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 1.30 0.00 0.00 1.07 0.00 0.00 38 G 8.45 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 39 K 8.08 4.05 0.00 2.06 1.91 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.70 7.81 40 E 8.46 4.01 0.00 2.25 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 2.38 2.71 0.00 41 F 8.74 4.42 0.00 3.15 3.51 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 42 A 8.45 3.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.98 3.90 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 44 R 8.00 3.80 0.00 2.11 2.21 0.00 3.17 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 1.79 1.68 0.00 45 V 7.82 3.47 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 0.89 0.00 0.00 0.16 0.00 0.00 46 E 8.11 3.86 0.00 2.15 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 2.27 2.42 0.00 47 D 8.28 4.25 0.00 2.87 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 48 C 8.51 4.24 0.00 3.13 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.16 3.84 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 1.20 0.00 0.00 50 N 8.33 4.52 0.00 2.89 2.87 0.00 0.00 6.97 8.25 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 51 V 7.50 4.04 2.21 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 0.79 0.00 0.00 0.90 0.00 0.00 52 K 8.12 4.04 0.00 1.93 1.84 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.31 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.39 7.81 53 H 8.12 4.47 0.00 3.28 3.32 0.00 5.69 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.74 4.57 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.60 4.43 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 56 A 8.29 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.61 0.00 2.24 2.30 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 58 T 7.88 4.19 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 1.20 0.00 0.00 59 C 7.95 4.52 0.00 2.99 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 60 T 7.90 3.93 4.48 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 1.25 0.00 0.00 61 K 8.40 4.04 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.37 7.81 62 P 0.00 3.45 0.00 1.98 2.04 0.00 3.73 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 1.88 1.95 0.00 63 P 0.00 4.06 0.00 0.49 1.20 0.00 2.20 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.44 0.00 64 P 0.00 4.20 0.00 2.18 2.24 0.00 3.36 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 65 F 7.18 4.66 0.00 3.10 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 66 C 8.00 4.47 0.00 2.97 3.12 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 67 G 7.94 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 68 P 0.00 4.21 0.00 2.21 2.04 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 69 Q 8.76 4.13 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 70 D 7.69 4.81 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 71 M 7.76 4.38 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 72 K 8.55 5.01 0.00 1.61 1.26 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 73 M 8.67 5.12 0.00 1.76 1.33 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 2.40 2.24 0.00 74 F 9.35 5.21 0.00 3.01 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.86 5.10 0.00 2.38 2.61 0.00 0.00 6.43 7.93 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 76 F 9.04 5.43 0.00 2.96 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 77 V 8.41 3.78 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 0.81 0.00 0.00 1.01 0.00 0.00 78 G 9.85 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 79 C 7.76 5.16 0.00 3.42 3.29 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 80 S 9.24 5.47 0.00 3.86 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 81 V 9.30 5.08 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 1.24 0.00 0.00 1.26 0.00 0.00 82 L 9.14 5.04 0.00 1.72 1.84 0.44 0.45 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 83 G 9.51 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 84 N 9.04 5.35 0.00 2.76 2.91 0.00 0.00 6.61 7.68 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 85 K 8.76 5.03 0.00 2.18 1.60 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.33 7.81 86 L 8.49 5.03 0.00 1.38 1.30 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.40 5.38 0.00 3.10 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 88 I 8.51 4.78 1.90 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 1.32 0.87 0.96 0.00 0.00 89 D 9.61 4.20 0.00 2.86 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 90 Q 8.55 3.74 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 91 K 8.00 4.83 0.00 2.00 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.65 7.81 92 Y 8.91 3.97 0.00 2.71 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 93 V 7.31 3.95 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 0.66 0.00 0.00 0.85 0.00 0.00 94 R 6.01 3.80 0.00 1.65 1.68 0.00 2.87 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.31 0.00 95 D 8.53 5.01 0.00 2.57 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 96 L 8.54 4.26 0.00 1.34 1.27 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.94 4.42 4.24 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 1.17 0.00 0.00 98 A 8.53 4.11 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 8.05 3.98 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 100 D 7.84 4.58 0.00 2.69 2.34 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 0.00 101 H 8.31 4.27 0.00 3.47 3.41 0.00 5.82 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 0.00 102 A 8.12 4.07 1.44 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 0.00 0.00 103 E 8.27 3.93 0.00 2.30 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 2.28 2.50 0.00 104 V 7.84 3.55 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.20 0.00 0.00 105 Q 8.16 3.95 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 106 T 8.06 3.99 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 1.16 0.00 0.00 107 F 8.40 3.84 0.00 2.95 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 0.00 108 R 8.29 3.74 0.00 2.00 1.96 0.00 2.84 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 1.56 1.86 0.00 109 E 8.44 3.96 0.00 2.13 1.97 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 2.33 2.48 0.00 110 K 8.00 3.94 0.00 1.62 1.58 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.52 7.81 111 I 7.80 3.59 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.90 1.13 0.00 0.00 112 A 8.15 4.01 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 0.00 113 A 8.05 3.92 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 0.00 114 F 8.55 4.23 0.00 2.86 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 0.00 115 E 8.07 4.02 0.00 2.33 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 2.46 2.44 0.00 116 E 7.94 4.11 0.00 1.99 1.96 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 2.31 2.30 0.00 117 Q 7.93 4.63 0.00 2.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 *138 S 8.51 4.27 0.00 4.02 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 0.00 139 P 0.00 3.07 0.00 1.55 0.52 0.00 3.65 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 1.71 1.68 0.00 140 P 0.00 4.21 0.00 1.73 1.71 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.14 0.00 141 P 0.00 4.58 0.00 2.15 2.03 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 142 P 0.00 4.31 0.00 2.01 2.11 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 143 P 0.00 3.82 0.00 0.49 0.58 0.00 2.38 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.07 0.00 144 S 9.04 3.99 0.00 3.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 6.86 4.44 0.00 3.03 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 0.00 146 C 7.90 4.60 0.00 3.02 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 0.00 147 T 7.67 4.49 4.33 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 1.20 0.00 0.00 148 V 8.45 3.68 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 0.62 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.