NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3001 8.3344 115.4137 57.6659 64.8653 172.8456 2 L 4.0741 7.7760 124.1130 53.4055 41.7855 173.8647 3 S 4.7519 9.3555 123.1945 56.4858 63.9422 172.4571 4 I 4.6095 8.3211 127.7433 60.4330 40.8184 174.9557 5 G 4.1816 9.5446 109.5173 44.1430 0.0000 171.3888 6 R 4.7751 9.0885 116.1512 55.7466 33.3899 175.6477 7 T 4.5485 8.5571 107.0480 62.1855 70.3252 173.8168 8 C 5.3568 7.6591 122.3048 57.7512 34.5307 172.8852 9 W 5.2305 9.5914 124.7805 54.8735 33.4027 173.9443 10 A 5.1617 8.8242 123.4482 50.2887 21.5320 175.3751 11 I 4.3693 8.8147 123.4934 59.4486 38.7955 176.7872 12 A 3.9539 8.8183 130.6707 53.5326 18.7995 176.3969 13 E 4.5852 7.7279 116.2902 54.3966 32.1888 175.3789 14 G 3.0978 7.8405 111.2526 45.1454 0.0000 171.4331 15 Y 4.9365 7.5274 119.0030 57.4131 41.9557 172.5753 16 I 4.6923 7.7796 128.0824 58.5751 39.2444 173.3750 17 P 4.0720 0.0000 0.0000 61.9133 32.0525 175.0105 18 P 3.8648 0.0000 0.0000 62.9570 31.3002 177.2675 *31 E 4.6264 8.0615 117.8365 55.7841 31.3383 175.1363 32 T 4.9357 7.7970 114.7816 61.7163 71.3882 173.1273 33 V 4.1751 8.3875 126.9015 61.8113 33.3358 174.1250 34 C 5.0396 8.7663 125.9566 58.1309 30.4478 172.7659 35 I 4.7772 8.7270 124.2327 59.2413 40.4034 174.0897 36 L 4.8049 9.0075 128.5940 53.2212 44.8216 174.5397 37 N 5.0780 9.2738 125.6905 52.0368 39.7605 174.5013 38 A 4.3478 8.6980 127.8769 52.3284 19.4281 177.3278 39 G 3.9989 8.0343 106.4483 44.2015 0.0000 174.2319 40 D 4.7265 8.4248 116.9973 54.3742 41.3111 176.2423 41 E 4.7711 7.6439 120.0251 53.8357 32.2767 175.1935 42 D 4.7663 8.8608 125.5643 54.7600 41.9398 175.3849 43 A 4.5463 9.0629 124.6414 50.9105 20.9587 175.7713 44 H 5.0263 8.7503 120.3889 54.5763 30.2495 174.1281 45 V 4.6180 9.1009 124.6865 61.5024 33.7558 174.4887 46 E 5.2821 9.3365 125.9473 54.6950 33.2676 174.5937 47 I 5.1311 9.1716 125.3647 59.8617 40.2428 174.6393 48 T 5.1941 9.0860 123.1121 61.8667 71.6739 172.9713 49 I 4.8803 8.7193 126.7626 59.8692 39.6092 174.4180 50 Y 4.7856 9.1603 124.1475 56.4842 41.1440 174.1897 51 Y 5.4146 8.3951 118.0498 56.2597 41.9418 175.8172 52 S 4.4485 9.1228 114.5781 60.5879 63.6087 174.9207 53 D 4.8471 8.0730 117.0720 52.6172 40.6282 174.4240 54 K 4.6415 7.8206 117.0415 55.4141 35.4275 175.4129 55 E 4.1237 8.6252 119.3793 55.8175 29.9055 175.6506 56 P 4.4777 0.0000 0.0000 62.6722 32.1552 175.6981 57 V 4.3360 9.7659 119.2568 59.8850 33.8231 176.2520 58 G 4.0810 7.9503 113.0149 44.3444 0.0000 169.2421 59 P 4.7540 0.0000 0.0000 62.7586 32.4370 175.6609 60 Y 4.5192 9.2261 122.1126 57.0492 39.0177 174.5480 61 R 5.3279 8.5897 123.5689 54.6231 32.5558 175.3431 62 L 4.6323 8.6370 121.7521 55.2257 44.4589 173.9353 63 T 5.0287 8.4351 115.8991 61.7735 71.4418 173.8458 64 V 4.2752 8.6384 126.5070 60.4175 33.1785 173.4192 65 P 4.9028 0.0000 0.0000 61.9700 32.2791 176.2026 66 A 3.8797 8.6637 123.7418 54.0722 18.5833 178.1610 67 R 3.9392 8.3232 121.7154 57.4196 28.4553 175.9834 68 R 4.8074 7.7230 113.9975 54.8823 35.1693 174.6288 69 T 5.0741 8.3269 114.1049 60.6154 70.7002 172.9576 70 K 4.5884 8.8474 125.0517 55.5385 36.1724 173.9939 71 H 5.1872 8.8601 124.4237 54.3363 30.5311 174.2470 72 V 4.2120 9.1757 124.9083 61.0791 33.6784 174.7247 73 R 4.6775 8.3279 127.3084 54.9222 31.3375 177.4369 74 F 4.1301 9.2566 122.7065 60.6002 39.2150 177.1862 75 N 4.3090 8.3405 117.7957 56.6166 38.7054 174.9935 76 D 4.6128 7.8135 115.5201 54.8414 41.5468 176.3728 77 L 4.3793 7.7439 121.8042 54.4196 42.4713 177.2189 78 N 5.0664 8.8392 116.5486 52.1764 39.8793 173.0010 79 D 4.7244 8.1857 119.5491 51.7114 42.6510 174.3678 80 P 4.2208 0.0000 0.0000 64.7561 31.9613 176.0707 81 A 4.6609 7.1548 118.1843 51.1700 21.6708 174.1404 82 P 5.0269 0.0000 0.0000 62.0204 32.0947 176.3734 83 I 4.0802 8.0474 122.2033 59.6376 37.7466 174.5123 84 P 4.3357 0.0000 0.0000 63.3381 31.5097 175.8688 85 H 4.4565 8.6171 117.6545 55.6062 29.6553 173.8351 86 D 4.1967 9.2053 116.5545 54.4139 39.8565 173.1295 87 T 4.8695 7.2876 111.8742 61.1780 72.3787 173.1434 88 D 5.0918 9.1448 126.8246 54.4613 41.9411 175.4629 89 F 5.1314 8.5533 117.3529 55.4452 42.3293 172.7305 90 A 5.1221 9.1046 119.3629 50.3286 22.9088 175.2008 91 S 5.3983 9.1807 112.9846 56.6777 67.1396 173.0163 92 V 4.8597 9.0826 121.5343 61.3386 34.0860 174.1358 93 I 4.9927 9.4564 129.2443 59.8628 39.3353 174.6517 94 Q 5.3352 9.3457 126.3622 54.3303 32.1862 174.7002 95 S 5.2833 9.1016 115.7106 55.9045 65.4808 173.7054 96 N 4.6367 9.0104 121.5647 54.9837 37.8334 175.5697 97 V 4.5552 7.4172 110.8869 58.1205 35.0236 173.4981 98 P 4.6931 0.0000 0.0000 63.2260 31.8145 175.6552 99 I 4.9121 9.1929 116.4925 59.2522 42.0678 173.9001 100 V 4.5585 8.6070 122.6312 61.0145 33.6756 174.3015 101 V 4.4190 5.7681 127.0366 60.8260 33.6959 174.2377 102 Q 4.6639 8.7978 128.0095 54.4083 32.8504 173.2445 103 H 5.1160 8.4527 119.1493 53.9425 31.5343 173.1956 104 T 4.0717 8.5146 114.9776 62.2882 67.2557 174.1049 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 S 8.33 4.30 0.00 4.00 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 2 L 7.78 4.07 0.00 1.83 1.61 0.93 0.47 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 3 S 9.36 4.75 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.32 4.61 1.92 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 1.37 0.81 0.97 0.00 0.00 5 G 9.54 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 0.00 0.00 0.00 6 R 9.09 4.78 0.00 1.64 1.83 0.00 2.27 0.00 0.00 2.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.70 0.00 7 T 8.56 4.55 4.46 0.00 0.00 0.00 0.00 0.00 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 8 C 7.66 5.36 0.00 2.94 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 9 W 9.59 5.23 0.00 3.24 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 10 A 8.82 5.16 1.18 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 0.00 0.00 11 I 8.81 4.37 1.93 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 1.12 0.87 0.74 0.00 0.00 12 A 8.82 3.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.73 4.59 0.00 1.84 1.71 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 2.09 2.21 0.00 14 G 7.84 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 0.00 0.00 0.00 15 Y 7.53 4.94 0.00 2.94 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 16 I 7.78 4.69 1.61 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 1.46 0.95 0.61 0.00 0.00 17 P 0.00 4.07 0.00 2.16 2.27 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 18 P 0.00 3.86 0.00 2.11 2.13 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 *31 E 8.06 4.63 0.00 2.07 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 0.00 2.36 2.50 0.00 32 T 7.80 4.94 4.21 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 1.16 0.00 0.00 33 V 8.39 4.18 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 0.81 0.00 0.00 0.38 0.00 0.00 34 C 8.77 5.04 0.00 2.71 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 35 I 8.73 4.78 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.58 0.83 0.00 0.00 36 L 9.01 4.80 0.00 1.63 1.42 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.27 5.08 0.00 2.83 2.94 0.00 0.00 6.72 7.28 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 38 A 8.70 4.35 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 39 G 8.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.42 4.73 0.00 2.68 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 41 E 7.64 4.77 0.00 1.92 1.77 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 2.13 2.27 0.00 42 D 8.86 4.77 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.55 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.75 5.03 0.00 3.10 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.10 4.62 2.25 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 1.00 0.00 0.00 0.96 0.00 0.00 46 E 9.34 5.28 0.00 1.96 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 2.26 2.31 0.00 47 I 9.17 5.13 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 1.05 0.00 0.00 48 T 9.09 5.19 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 0.94 0.00 0.00 49 I 8.72 4.88 1.78 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 1.21 0.73 0.20 0.00 0.00 50 Y 9.16 4.79 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 51 Y 8.40 5.41 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.12 4.45 0.00 4.04 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 53 D 8.07 4.85 0.00 2.74 2.75 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 54 K 7.82 4.64 0.00 1.79 1.72 0.00 0.97 0.00 0.00 1.48 0.00 0.00 2.53 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.40 7.81 55 E 8.63 4.12 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 56 P 0.00 4.48 0.00 1.55 0.76 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 57 V 9.77 4.34 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 1.06 0.00 0.00 1.07 0.00 0.00 58 G 7.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.75 0.00 2.11 2.10 0.00 3.70 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 1.95 1.99 0.00 60 Y 9.23 4.52 0.00 3.00 2.98 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 61 R 8.59 5.33 0.00 1.68 1.84 0.00 3.22 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 62 L 8.64 4.63 0.00 1.75 1.74 0.91 0.68 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 63 T 8.44 5.03 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 1.31 0.00 0.00 64 V 8.64 4.28 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 1.03 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.90 0.00 1.98 1.98 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 66 A 8.66 3.88 1.35 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 0.00 0.00 67 R 8.32 3.94 0.00 1.95 2.01 0.00 3.11 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 68 R 7.72 4.81 0.00 1.76 1.75 0.00 3.22 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 69 T 8.33 5.07 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 1.19 0.00 0.00 70 K 8.85 4.59 0.00 1.81 1.55 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.40 7.81 71 H 8.86 5.19 0.00 3.00 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.18 4.21 1.82 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 0.77 0.00 0.00 0.83 0.00 0.00 73 R 8.33 4.68 0.00 2.05 1.83 0.00 3.19 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 74 F 9.26 4.13 0.00 3.23 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 75 N 8.34 4.31 0.00 2.70 2.89 0.00 0.00 6.99 8.47 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 76 D 7.81 4.61 0.00 2.88 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 77 L 7.74 4.38 0.00 1.87 1.34 0.86 0.30 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 78 N 8.84 5.07 0.00 2.85 3.03 0.00 0.00 5.68 8.07 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 79 D 8.19 4.72 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.05 1.97 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 81 A 7.15 4.66 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 5.03 0.00 2.08 2.03 0.00 3.75 0.00 0.00 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.05 4.08 1.62 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.26 0.31 0.00 0.00 84 P 0.00 4.34 0.00 2.17 2.03 0.00 3.81 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 2.01 1.84 0.00 85 H 8.62 4.46 0.00 3.10 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.21 4.20 0.00 2.77 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 87 T 7.29 4.87 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 88 D 9.14 5.09 0.00 2.67 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 89 F 8.55 5.13 0.00 2.66 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 90 A 9.10 5.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 9.18 5.40 0.00 4.09 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 92 V 9.08 4.86 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 1.14 0.00 0.00 0.90 0.00 0.00 93 I 9.46 4.99 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.98 0.00 0.00 94 Q 9.35 5.34 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 95 S 9.10 5.28 0.00 3.91 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 96 N 9.01 4.64 0.00 2.77 2.95 0.00 0.00 5.86 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 97 V 7.42 4.56 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 0.73 0.00 0.00 0.98 0.00 0.00 98 P 0.00 4.69 0.00 1.99 2.13 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 99 I 9.19 4.91 1.87 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 1.28 1.08 1.00 0.00 0.00 100 V 8.61 4.56 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 0.68 0.00 0.00 1.02 0.00 0.00 101 V 5.77 4.42 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.33 0.00 0.00 102 Q 8.80 4.66 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 103 H 8.45 5.12 0.00 3.15 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.51 4.07 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.