NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.7229 8.1749 117.3782 64.1227 70.3432 173.3977 6 Y 4.1085 9.1103 117.3104 61.7022 40.2259 173.7675 7 E 3.6071 7.8362 112.2944 57.7101 27.5068 175.6657 8 I 4.2508 7.6943 120.6133 59.2956 39.6022 176.3415 9 S 4.6638 8.5610 117.7649 57.4285 65.3486 175.3907 10 S 4.5278 8.7012 116.7549 61.5257 62.8779 176.2289 11 A 4.5011 7.9845 123.8576 55.2405 18.1699 179.0286 12 E 3.7741 8.0107 117.1351 59.5833 29.2696 179.7551 13 W 4.2429 8.3522 118.1187 59.7598 29.1553 177.8237 14 E 4.2810 8.1545 118.5101 59.1193 29.3018 178.7553 15 V 3.8471 7.5258 116.3876 63.6146 31.4585 177.0491 *17 N 5.3156 8.1051 114.2696 52.5427 40.4638 175.2824 18 I 4.2684 7.7628 118.2078 62.9894 38.3390 177.3314 19 I 3.9114 7.5858 120.8028 64.1498 37.0652 178.3379 20 W 4.6533 7.8472 118.8142 57.0778 28.0921 176.8770 *22 K 4.1937 8.0735 115.4586 54.9221 33.4020 177.1942 23 K 3.7165 8.2153 122.3180 57.9354 32.7359 174.0536 24 Y 5.4399 7.5254 111.9318 56.3127 41.5572 174.5251 25 A 4.8411 9.2476 123.7311 51.0318 23.3541 175.9578 26 S 5.0596 9.0648 116.4992 56.5188 65.3650 174.7686 27 A 3.9312 9.2139 121.4328 56.0042 17.7490 179.3644 28 N 4.1454 8.3578 113.2314 56.7705 38.6538 177.1267 29 N 4.4026 7.9051 117.2946 56.4064 38.7391 177.1134 30 I 3.6773 8.0825 121.4168 64.9472 37.3393 178.2345 31 I 3.7464 8.5153 120.9994 64.3999 36.6961 177.7962 32 E 4.2428 7.7670 116.8535 58.4576 30.0642 178.1887 33 E 4.1042 8.0432 119.0837 59.1128 29.8287 179.1193 34 I 3.7863 7.8862 119.9336 64.0366 38.2601 177.5304 35 Q 5.0571 7.9059 119.3063 55.2904 24.8524 176.8903 *37 Q 4.2194 7.6040 115.5508 55.2314 31.2117 175.8712 38 K 4.1545 7.4835 118.1468 54.7056 35.6255 176.0058 39 D 4.8043 8.2492 124.3867 52.7100 39.7578 175.2793 40 W 5.0790 7.4649 120.2056 54.7034 32.2932 177.1772 41 S 4.6003 8.4139 117.2519 57.0917 65.1841 173.7126 42 P 4.2688 0.0000 0.0000 65.6330 31.0522 178.9959 43 K 3.9857 8.0112 117.9690 59.3960 32.1268 178.9503 44 T 3.7179 7.6865 116.1134 66.7641 68.3732 176.7000 45 I 3.7616 7.5981 121.1905 64.4545 37.0317 178.8060 46 R 3.8768 8.2286 118.8942 59.2203 29.7770 179.1847 47 T 3.8965 7.7394 115.9380 66.2009 68.4629 177.0096 48 L 3.8464 7.8085 121.0237 57.6687 41.6601 179.4299 49 I 3.4391 7.6957 119.7607 64.8284 37.0717 178.6293 50 T 3.9092 7.9304 116.4527 66.5894 68.2455 176.7336 51 R 3.8897 8.0233 120.7788 59.4092 30.1430 178.6198 52 L 4.0994 7.9825 118.8236 57.5634 41.5651 178.8914 53 Y 4.2499 8.1059 119.7158 60.8465 38.6307 178.3196 54 K 3.8526 7.9988 117.4915 58.5704 32.1949 178.5795 55 K 4.2071 7.6542 116.7243 56.0478 32.1873 177.4131 56 G 3.6439 7.4961 106.9682 45.9789 0.0000 174.5925 57 F 4.5633 8.0344 120.4750 58.3669 40.3926 175.5177 58 I 4.9311 7.5100 109.8814 59.7640 41.1846 172.9130 59 D 5.0500 8.4616 121.5823 53.1132 45.2990 173.4620 60 R 5.0911 8.2688 115.3293 54.1203 32.4497 174.5136 61 K 4.7635 8.9024 120.6531 55.1182 35.7094 175.5499 62 K 4.4317 8.9092 123.1874 55.8192 32.2073 175.3454 63 D 4.7010 8.5243 125.7329 53.2520 43.1050 176.2245 64 N 4.3854 8.6213 123.6738 53.7942 35.9675 174.8795 65 K 4.4137 8.5283 124.7911 57.1082 32.7776 176.0848 66 I 4.4679 7.1600 117.8706 58.4905 40.1641 175.1983 67 F 4.8161 8.6805 125.5911 57.8412 40.2817 174.0467 68 Q 4.8003 8.9507 122.4944 54.4425 31.5381 174.3479 69 Y 5.0370 9.4864 123.1109 57.3864 39.8717 174.4339 70 Y 5.4374 8.1417 119.6601 54.8757 42.0858 174.1014 71 S 4.6114 8.7233 115.3033 58.5663 63.0632 173.6792 72 L 4.8682 8.7180 125.0175 54.4993 42.3685 176.7188 73 V 4.5088 8.2104 118.6165 59.4998 34.3396 175.7502 74 E 4.2758 9.0178 122.5951 55.8265 28.2449 177.3146 75 E 2.8303 8.0736 124.9562 58.7157 30.3690 178.6560 76 S 4.1808 7.7699 114.2355 61.1834 63.1922 176.0943 77 D 4.4445 8.5923 123.4584 57.2331 40.5391 178.3564 78 I 4.0149 7.8110 118.7179 63.9386 38.1475 177.9303 79 K 4.1509 8.6755 120.0048 59.3345 31.7893 178.6296 80 Y 4.1254 8.0457 119.8598 60.6222 38.7696 177.8578 81 K 3.6139 8.1229 120.3958 59.9716 32.2825 178.5465 82 T 3.9870 8.2200 115.7881 67.0234 68.4502 176.6497 83 S 4.2301 8.3534 117.2267 61.6276 62.8183 177.0045 84 K 3.9513 8.0521 121.2230 59.5123 31.8610 179.2178 85 N 4.4031 8.2416 116.8764 56.1224 38.4539 177.3450 86 F 4.2230 8.4493 122.2133 61.4010 39.5444 177.3694 87 I 3.8992 8.0389 119.5833 64.4087 36.6748 177.9676 88 N 4.3684 8.0767 117.1297 56.1133 38.7958 176.6910 89 K 4.0049 7.5971 120.3696 58.8617 32.4206 178.2069 90 V 3.6266 7.2450 116.5022 63.4268 32.3725 175.4624 91 Y 4.6174 7.1829 114.4900 56.3983 39.6592 175.6572 92 K 4.2306 8.6769 122.0120 58.3945 32.4931 178.0666 93 G 4.2026 7.1721 106.3380 44.8593 0.0000 177.0734 94 G 3.8787 7.6983 106.9576 44.2458 0.0000 171.5784 95 F 4.0322 8.6218 120.1375 61.5721 39.0328 177.5188 96 N 4.0877 8.3392 116.0014 57.3125 38.5452 176.8533 97 S 4.2795 7.9403 115.8036 60.8992 62.8277 176.6147 98 L 2.9260 6.9183 122.9380 57.5530 41.8365 178.8990 99 V 3.3098 7.1579 118.1370 65.7768 31.2243 177.2318 100 L 3.8578 7.9166 118.9638 58.6424 41.9124 178.1870 101 N 4.4443 8.4022 116.8872 56.6733 38.7463 176.6516 102 F 4.0162 8.6858 122.4856 61.0572 39.4215 176.9868 103 V 3.9142 8.4387 115.1717 64.2539 31.3745 176.3025 104 E 4.6265 7.6416 115.4419 56.6454 30.9425 176.1260 105 K 4.3476 7.6214 116.2150 55.4628 34.0569 175.5709 106 E 4.2571 7.3364 120.5804 54.1763 30.0733 175.5853 107 D 4.1416 8.7624 126.8691 55.4893 41.7252 177.1402 108 L 3.3128 7.7178 113.8728 54.9181 40.1192 175.0117 109 S 4.3025 8.3825 118.2379 58.7385 64.1519 174.8559 110 Q 4.2427 8.4712 119.1295 57.7284 28.2353 177.8455 111 D 4.3971 7.9213 119.2637 56.7941 41.5988 177.4568 112 E 4.0621 8.3764 119.3901 59.8547 29.5198 179.5798 113 I 3.7596 7.4372 118.0544 64.2315 37.1450 178.1356 114 E 3.9149 7.7680 119.1932 59.2376 29.3437 178.4854 115 E 3.9310 9.2784 120.2233 59.3782 29.6135 178.6579 116 L 4.0026 8.5469 119.2633 57.9372 41.6204 179.8683 117 R 3.9320 8.0461 118.0994 59.3450 29.9712 177.7958 118 N 4.1060 8.1307 116.3267 57.5553 38.5502 176.2110 119 I 3.5503 7.4938 120.3440 65.0665 37.4648 177.5928 120 L 4.1320 7.6911 119.8611 58.7701 41.7908 178.5172 121 N 4.4842 8.6570 115.6684 54.9416 38.3615 175.4593 122 K 4.1624 7.7607 127.4653 57.0548 32.1611 177.2172 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 5 T 8.17 4.72 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 1.35 0.00 0.00 6 Y 9.11 4.11 0.00 3.13 2.97 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 7 E 7.84 3.61 0.00 2.12 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 2.30 2.29 0.00 8 I 7.69 4.25 1.41 0.00 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.12 0.07 0.00 0.00 9 S 8.56 4.66 0.00 4.09 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 10 S 8.70 4.53 0.00 4.19 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 11 A 7.98 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.01 3.77 0.00 2.02 1.63 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 2.14 2.21 0.00 13 W 8.35 4.24 0.00 3.46 3.28 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 0.00 14 E 8.15 4.28 0.00 2.45 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 0.00 2.18 2.38 0.00 15 V 7.53 3.85 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 0.91 0.00 0.00 1.04 0.00 0.00 *17 N 8.11 5.32 0.00 2.98 3.12 0.00 0.00 7.06 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 18 I 7.76 4.27 2.06 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 1.34 0.76 0.94 0.00 0.00 19 I 7.59 3.91 1.52 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 1.47 0.95 0.85 0.00 0.00 20 W 7.85 4.65 0.00 3.52 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 *22 K 8.07 4.19 0.00 1.85 1.97 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.62 7.81 23 K 8.22 3.72 0.00 1.86 1.75 0.00 1.67 0.00 0.00 1.24 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.05 1.34 7.81 24 Y 7.53 5.44 0.00 2.92 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 25 A 9.25 4.84 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 26 S 9.06 5.06 0.00 4.07 4.11 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 27 A 9.21 3.93 1.42 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 0.00 0.00 28 N 8.36 4.15 0.00 2.79 2.95 0.00 0.00 6.96 6.92 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 29 N 7.91 4.40 0.00 3.02 2.91 0.00 0.00 7.01 7.33 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 30 I 8.08 3.68 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.12 0.89 0.00 0.00 31 I 8.52 3.75 2.05 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 1.61 1.03 0.96 0.00 0.00 32 E 7.77 4.24 0.00 2.09 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 2.43 2.35 0.00 33 E 8.04 4.10 0.00 2.11 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 2.37 2.52 0.00 34 I 7.89 3.79 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.30 0.90 0.00 0.00 35 Q 7.91 5.06 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.51 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 *37 Q 7.60 4.22 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 38 K 7.48 4.15 0.00 0.87 0.74 0.00 1.29 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.87 0.21 7.81 39 D 8.25 4.80 0.00 2.60 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 40 W 7.46 5.08 0.00 3.34 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 41 S 8.41 4.60 0.00 4.08 4.06 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 0.00 0.00 0.00 42 P 0.00 4.27 0.00 2.20 2.16 0.00 3.62 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 2.13 2.16 0.00 43 K 8.01 3.99 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 T 7.69 3.72 4.38 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 0.78 0.00 0.00 45 I 7.60 3.76 2.05 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 1.85 0.81 0.95 0.00 0.00 46 R 8.23 3.88 0.00 1.90 1.95 0.00 3.12 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 47 T 7.74 3.90 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 1.13 0.00 0.00 48 L 7.81 3.85 0.00 1.75 1.58 0.49 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.70 3.44 1.74 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 1.19 0.81 -0.09 0.00 0.00 50 T 7.93 3.91 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 1.25 0.00 0.00 51 R 8.02 3.89 0.00 1.95 2.00 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 52 L 7.98 4.10 0.00 1.64 1.63 0.68 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.11 4.25 0.00 3.10 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 54 K 8.00 3.85 0.00 1.70 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.57 7.81 55 K 7.65 4.21 0.00 1.98 1.97 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.54 7.81 56 G 7.50 3.64 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 0.00 0.00 0.00 57 F 8.03 4.56 0.00 3.16 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 58 I 7.51 4.93 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.78 0.00 0.00 59 D 8.46 5.05 0.00 2.45 1.90 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 60 R 8.27 5.09 0.00 1.00 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.03 0.00 61 K 8.90 4.76 0.00 1.89 2.08 0.00 1.17 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 62 K 8.91 4.43 0.00 1.66 1.75 0.00 1.45 0.00 0.00 1.07 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.86 1.19 7.81 63 D 8.52 4.70 0.00 2.55 2.48 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 64 N 8.62 4.39 0.00 2.90 2.78 0.00 0.00 6.93 7.61 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 65 K 8.53 4.41 0.00 1.59 1.67 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.35 7.81 66 I 7.16 4.47 1.85 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 1.22 1.19 0.95 0.00 0.00 67 F 8.68 4.82 0.00 2.94 2.39 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 68 Q 8.95 4.80 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 69 Y 9.49 5.04 0.00 3.01 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 70 Y 8.14 5.44 0.00 2.69 2.73 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 71 S 8.72 4.61 0.00 3.73 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 72 L 8.72 4.87 0.00 1.53 1.66 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.21 4.51 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 1.13 0.00 0.00 1.10 0.00 0.00 74 E 9.02 4.28 0.00 2.15 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 2.37 0.00 75 E 8.07 2.83 0.00 1.16 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 1.47 1.47 0.00 76 S 7.77 4.18 0.00 4.00 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 77 D 8.59 4.44 0.00 2.96 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 78 I 7.81 4.01 2.18 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 1.41 0.00 0.00 79 K 8.68 4.15 0.00 1.83 1.76 0.00 1.45 0.00 0.00 1.37 0.00 0.00 2.76 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 1.56 7.81 80 Y 8.05 4.13 0.00 3.12 3.22 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 0.00 81 K 8.12 3.61 0.00 2.05 2.12 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.60 7.81 82 T 8.22 3.99 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 S 8.35 4.23 0.00 4.04 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 84 K 8.05 3.95 0.00 1.74 1.73 0.00 1.51 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.83 1.01 7.81 85 N 8.24 4.40 0.00 3.00 2.92 0.00 0.00 6.66 8.23 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 86 F 8.45 4.22 0.00 3.20 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 87 I 8.04 3.90 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 1.00 0.00 0.00 88 N 8.08 4.37 0.00 2.80 2.98 0.00 0.00 7.20 6.71 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 89 K 7.60 4.00 0.00 1.85 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.38 7.81 90 V 7.24 3.63 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 -0.02 0.00 0.00 0.38 0.00 0.00 91 Y 7.18 4.62 0.00 3.11 2.83 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 92 K 8.68 4.23 0.00 1.74 1.87 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.47 7.81 93 G 7.17 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 0.00 0.00 0.00 0.00 94 G 7.70 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 0.00 0.00 0.00 95 F 8.62 4.03 0.00 3.12 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 96 N 8.34 4.09 0.00 2.84 2.79 0.00 0.00 7.24 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 97 S 7.94 4.28 0.00 3.90 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 98 L 6.92 2.93 0.00 0.59 1.23 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.16 3.31 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 0.83 0.00 0.00 0.03 0.00 0.00 100 L 7.92 3.86 0.00 1.65 1.82 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.40 4.44 0.00 2.97 3.11 0.00 0.00 6.98 7.27 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 0.00 102 F 8.69 4.02 0.00 3.18 2.97 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 0.00 103 V 8.44 3.91 2.18 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 0.90 0.00 0.00 1.02 0.00 0.00 104 E 7.64 4.63 0.00 2.13 1.92 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 2.22 2.29 0.00 105 K 7.62 4.35 0.00 1.68 1.67 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.33 7.81 106 E 7.34 4.26 0.00 1.20 1.47 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 2.12 2.09 0.00 107 D 8.76 4.14 0.00 2.62 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 0.00 108 L 7.72 3.31 0.00 1.80 1.62 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.38 4.30 0.00 4.04 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 0.00 110 Q 8.47 4.24 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 111 D 7.92 4.40 0.00 2.74 2.65 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 0.00 112 E 8.38 4.06 0.00 2.20 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 0.00 2.36 2.55 0.00 113 I 7.44 3.76 2.05 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 1.61 1.11 0.92 0.00 0.00 114 E 7.77 3.91 0.00 2.26 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 0.00 2.31 2.36 0.00 115 E 9.28 3.93 0.00 1.90 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 2.31 2.35 0.00 116 L 8.55 4.00 0.00 1.86 1.73 0.97 0.91 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 0.00 117 R 8.05 3.93 0.00 2.08 1.98 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 118 N 8.13 4.11 0.00 2.80 3.01 0.00 0.00 7.19 7.39 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 0.00 119 I 7.49 3.55 2.03 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 1.69 0.91 0.90 0.00 0.00 120 L 7.69 4.13 0.00 1.72 1.77 0.95 1.10 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 0.00 121 N 8.66 4.48 0.00 2.71 2.68 0.00 0.00 7.12 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 0.00 122 K 7.76 4.16 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.