NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.5724 8.4449 120.1781 56.5194 31.4028 174.6949 4 T 4.3542 8.4778 118.8968 61.4628 70.7858 172.3346 5 R 5.7244 8.8761 124.9847 53.2227 34.9105 174.5071 *7 V 4.0828 7.9600 110.5187 61.8757 32.6747 174.9265 8 Y 4.6015 8.4177 119.5595 55.8706 42.2760 172.7656 9 P 4.6565 0.0000 0.0000 61.8232 33.1880 176.0835 10 V 4.3104 8.6722 124.0199 61.9849 32.3150 175.3669 11 F 5.4946 9.6584 127.6562 55.1959 41.1844 175.4411 12 P 4.2808 0.0000 0.0000 66.0621 31.1104 179.1119 13 G 3.8036 8.2871 104.7534 47.6124 0.0000 173.5150 14 E 4.4810 8.6309 118.8298 56.1719 30.2043 175.6745 15 T 4.8419 7.6070 109.8767 60.0187 71.1506 173.7414 16 N 4.6087 8.4071 120.3018 51.4343 39.2675 175.2592 17 H 4.3742 8.3106 112.2726 57.5592 28.5777 175.5014 18 Y 4.4176 8.0285 117.8712 58.6850 38.3562 176.3677 19 G 3.9915 8.6469 108.7851 45.4335 0.0000 172.6752 20 T 5.1402 7.7693 108.3284 58.7367 72.6091 172.7974 21 L 4.3506 8.9422 125.3325 55.6034 42.7149 176.7061 22 F 4.3761 9.0703 129.4529 58.1756 40.1177 176.3049 23 G 3.3250 8.4667 112.5362 47.7203 0.0000 176.0879 24 G 3.1642 5.3800 107.1690 47.5733 0.0000 175.8598 25 T 3.5550 7.0457 117.4584 66.3641 68.2694 177.1680 26 V 3.4580 7.1238 113.2465 64.1893 31.5830 178.2962 27 L 4.2164 7.7232 117.8727 57.7540 41.7635 179.0902 28 A 4.1957 7.8801 120.7461 54.7403 18.1842 179.9725 29 W 4.5763 7.9297 115.2747 57.4528 28.9851 177.8148 *31 D 3.6696 8.0661 120.5304 54.1910 42.6601 177.4153 32 Q 3.9822 8.2207 117.7508 58.8995 28.6351 178.7492 33 A 4.0113 8.2638 121.6243 55.1957 18.3701 179.5807 34 A 3.9372 7.7492 118.8031 55.1417 18.4960 179.3445 35 F 3.9097 8.7541 119.5791 61.3829 39.4386 177.6279 36 V 3.7516 8.4314 118.8591 65.5726 31.3921 177.8434 37 A 4.0041 8.1679 120.3271 55.1445 18.0879 179.5206 38 A 3.9531 8.3191 119.8443 55.3437 18.0098 179.9415 39 T 3.6575 7.7571 108.3951 65.0370 68.5229 176.9103 40 R 3.9555 7.8467 119.9798 59.0289 30.1132 178.3494 41 H 4.2819 7.8500 116.4874 59.3044 30.1190 177.0854 42 A 4.0187 8.1871 121.2087 52.7325 18.2610 177.5389 43 R 3.8236 8.1649 115.2027 56.4728 28.1456 175.6590 44 K 4.3952 7.4719 114.6953 55.6866 35.2824 174.5030 45 K 4.1885 8.3507 118.2595 56.8129 32.8361 177.0132 46 V 4.9786 8.0063 115.9938 59.8065 35.8943 175.0163 47 V 4.7196 8.4686 113.9155 60.0757 36.3544 175.0768 48 T 4.6257 8.6923 120.0803 63.1708 69.1841 175.0636 49 V 4.4629 8.4925 125.2282 62.3846 33.7889 175.2899 50 H 4.9808 8.0033 118.9504 55.0065 33.2316 171.9922 51 A 4.9350 8.0265 124.6259 50.2509 22.1600 174.8481 52 D 4.4642 8.7637 119.8540 51.2185 43.5459 174.6457 53 A 3.5626 8.0492 119.9131 53.0306 15.9540 176.9658 54 V 4.1798 7.2425 120.0443 61.6230 33.3399 175.6412 55 D 4.9364 8.9364 128.3194 52.5964 43.7713 175.4563 56 F 4.3324 8.9473 122.3952 56.2025 38.7745 175.7195 57 K 4.2529 8.8139 124.0561 58.6179 32.4823 178.1519 58 R 4.7276 7.7798 116.0722 53.2753 34.0081 173.1547 59 P 4.5314 0.0000 0.0000 63.0145 32.6937 176.0503 60 V 4.5026 8.3311 121.7561 60.4577 33.2481 173.0924 61 P 4.7723 0.0000 0.0000 62.1316 32.7285 175.7387 62 L 4.1987 8.2315 123.7331 57.0226 42.3351 177.7722 63 G 4.0372 9.4455 114.1603 45.1377 0.0000 173.4382 64 A 4.4108 7.9330 121.7905 51.7926 20.3275 176.3697 65 I 4.8039 8.2619 119.7880 59.7307 39.6904 175.3383 66 V 4.9963 8.7940 119.9225 59.4450 35.2737 174.1677 67 E 4.9620 9.5741 125.0698 54.4503 32.1249 174.8560 68 L 5.1741 8.6338 126.5280 53.1662 44.5065 175.6258 69 V 4.9423 8.9683 122.5886 59.9369 34.4215 174.1188 70 A 5.4942 9.2165 128.1508 49.8980 21.6791 175.2770 71 R 4.8474 8.9397 118.3940 53.9178 33.0236 174.3660 72 L 4.2234 8.7316 125.5470 55.4884 41.9542 176.2033 73 K 4.5669 9.1637 126.4906 57.7417 33.6472 176.6425 74 E 4.7063 7.7010 114.1223 55.3161 31.8381 174.4901 75 V 4.6654 8.1823 119.2098 61.2527 36.0086 173.2079 76 G 3.9665 8.6927 113.3351 45.9221 0.0000 173.7354 77 R 4.3816 9.1425 123.8739 57.4136 31.6745 176.4644 78 T 4.5950 7.9915 104.6008 60.2941 70.6599 173.5557 79 S 5.8024 7.4783 116.9278 55.9637 65.9136 171.6838 *81 R 4.5720 8.1953 119.1575 56.7581 31.2242 175.0361 82 V 4.8691 9.1271 126.4993 61.0937 34.5230 173.5538 83 E 5.0517 9.1445 129.0349 54.8222 31.6076 174.5649 84 V 4.8953 9.2927 126.5580 61.4987 34.7069 173.9824 85 E 5.0705 8.6232 127.7257 53.9246 33.4277 174.5834 *87 W 4.8370 8.4492 119.3057 57.6942 31.2808 174.7058 88 V 4.5669 8.0287 116.3787 59.7955 33.3860 174.8279 89 E 4.6286 9.0116 126.1853 53.8269 30.0278 174.4174 90 P 4.4403 0.0000 0.0000 63.0230 32.1444 176.9326 91 V 4.1696 8.1943 113.2293 62.6112 33.0139 177.3378 92 K 4.1437 7.8225 119.6109 55.6117 32.5427 176.0079 93 E 3.9406 8.6797 124.3103 58.1545 30.0319 175.7540 94 G 4.4430 9.0256 119.8111 46.1579 0.0000 174.1605 95 E 4.1481 7.4086 118.3161 55.8462 30.0600 176.1264 96 E 4.7712 8.3851 120.6048 53.7981 32.9711 175.2452 97 A 4.9203 8.7091 124.2313 51.7805 19.3670 176.5072 98 Y 5.1340 8.1587 117.6746 55.0132 42.1636 173.9906 99 L 3.4076 8.3331 123.3448 54.9344 42.1911 176.0268 100 A 4.6085 8.4426 127.8328 53.9787 20.2945 176.3247 101 A 4.8352 7.4121 114.2091 51.2891 22.9647 175.3134 102 R 4.7243 8.3641 118.0991 55.5121 34.2014 174.0652 103 G 4.2881 9.2896 111.1877 45.2609 0.0000 171.8497 104 G 4.5602 8.2638 107.2361 44.1982 0.0000 172.4416 105 F 5.3058 9.3741 121.1179 55.3544 43.8155 173.8416 106 V 4.7212 9.2454 122.1584 61.2097 33.9564 174.3731 107 L 5.2852 8.6116 126.8487 52.9272 45.5748 175.3176 108 V 4.9063 8.7011 121.2513 61.0261 34.5393 174.6158 109 A 4.8022 8.8555 129.8371 51.9199 19.7122 176.6233 110 V 5.0543 8.7368 113.9926 59.5858 36.2177 175.6196 111 D 4.6955 8.9962 123.2107 52.1073 41.0241 176.7966 112 E 4.1424 8.6171 118.8379 59.0935 29.5288 177.6826 113 R 4.1103 8.0630 115.4663 56.6868 30.5446 177.1688 114 G 3.9054 8.6445 106.9111 45.2377 0.0000 173.1842 115 R 4.4064 9.0293 121.0796 53.6424 31.2513 173.9688 116 P 4.6599 0.0000 0.0000 63.5823 31.5477 175.4132 117 S 4.8048 9.2127 117.3497 55.4541 65.7063 171.4288 118 P 4.7105 0.0000 0.0000 63.2551 31.6912 175.9505 119 V 4.5650 8.3809 116.2915 58.5856 34.6852 174.2082 120 P 4.3440 0.0000 0.0000 61.9476 31.7807 174.7263 121 P 4.5443 0.0000 0.0000 62.3552 32.1212 175.7292 122 L 4.5759 8.0779 119.4765 54.9091 41.9901 176.5598 123 E 4.2188 8.2993 116.2021 56.7703 29.4913 175.0037 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 3 E 8.44 4.57 0.00 1.86 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 2.22 2.35 0.00 4 T 8.48 4.35 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 1.28 0.00 0.00 5 R 8.88 5.72 0.00 1.71 1.79 0.00 3.25 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 *7 V 7.96 4.08 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 0.63 0.00 0.00 0.75 0.00 0.00 8 Y 8.42 4.60 0.00 2.39 2.33 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 9 P 0.00 4.66 0.00 0.80 1.78 0.00 3.34 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 10 V 8.67 4.31 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 1.00 0.00 0.00 1.10 0.00 0.00 11 F 9.66 5.49 0.00 3.14 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 P 0.00 4.28 0.00 2.21 2.17 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 13 G 8.29 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 0.00 0.00 0.00 14 E 8.63 4.48 0.00 2.18 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 0.00 2.37 2.36 0.00 15 T 7.61 4.84 4.37 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 1.36 0.00 0.00 16 N 8.41 4.61 0.00 2.63 3.00 0.00 0.00 7.15 7.42 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 17 H 8.31 4.37 0.00 3.19 3.29 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.03 4.42 0.00 3.03 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 19 G 8.65 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 0.00 0.00 0.00 20 T 7.77 5.14 4.41 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 1.30 0.00 0.00 21 L 8.94 4.35 0.00 1.84 1.66 0.94 0.45 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 22 F 9.07 4.38 0.00 2.98 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 23 G 8.47 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 0.00 0.00 0.00 24 G 5.38 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 0.00 0.00 0.00 25 T 7.05 3.56 3.98 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 -0.09 0.00 0.00 26 V 7.12 3.46 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 0.84 0.00 0.00 1.01 0.00 0.00 27 L 7.72 4.22 0.00 1.80 1.81 0.95 0.91 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 28 A 7.88 4.20 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 29 W 7.93 4.58 0.00 3.36 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 *31 D 8.07 3.67 0.00 2.67 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 32 Q 8.22 3.98 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 33 A 8.26 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 34 A 7.75 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.75 3.91 0.00 3.11 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 36 V 8.43 3.75 2.29 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 1.11 0.00 0.00 1.08 0.00 0.00 37 A 8.17 4.00 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 38 A 8.32 3.95 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 T 7.76 3.66 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 0.73 0.00 0.00 40 R 7.85 3.96 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 41 H 7.85 4.28 0.00 3.09 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.19 4.02 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 43 R 8.16 3.82 0.00 1.92 2.00 0.00 3.45 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 44 K 7.47 4.40 0.00 1.79 1.74 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 45 K 8.35 4.19 0.00 1.74 1.79 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.48 7.81 46 V 8.01 4.98 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 0.64 0.00 0.00 0.25 0.00 0.00 47 V 8.47 4.72 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 0.82 0.00 0.00 0.96 0.00 0.00 48 T 8.69 4.63 4.35 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 1.44 0.00 0.00 49 V 8.49 4.46 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 0.74 0.00 0.00 0.97 0.00 0.00 50 H 8.00 4.98 0.00 3.25 3.16 0.00 5.81 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 51 A 8.03 4.93 0.99 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 0.00 0.00 52 D 8.76 4.46 0.00 2.68 2.67 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 0.00 0.00 0.00 0.00 53 A 8.05 3.56 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.24 4.18 2.02 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 0.39 0.00 0.00 0.68 0.00 0.00 55 D 8.94 4.94 0.00 2.46 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 56 F 8.95 4.33 0.00 2.84 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 57 K 8.81 4.25 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.50 7.81 58 R 7.78 4.73 0.00 1.90 1.79 0.00 2.85 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 59 P 0.00 4.53 0.00 2.14 2.09 0.00 3.73 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 2.03 1.97 0.00 60 V 8.33 4.50 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 1.11 0.00 0.00 1.02 0.00 0.00 61 P 0.00 4.77 0.00 2.24 2.25 0.00 3.92 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 62 L 8.23 4.20 0.00 1.96 1.71 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.45 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 64 A 7.93 4.41 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 65 I 8.26 4.80 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.90 0.00 0.00 66 V 8.79 5.00 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 0.79 0.00 0.00 1.15 0.00 0.00 67 E 9.57 4.96 0.00 2.06 1.95 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 2.22 2.23 0.00 68 L 8.63 5.17 0.00 1.69 1.64 1.04 0.97 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 69 V 8.97 4.94 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 1.02 0.00 0.00 0.97 0.00 0.00 70 A 9.22 5.49 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 71 R 8.94 4.85 0.00 1.85 2.02 0.00 2.98 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 72 L 8.73 4.22 0.00 1.63 1.60 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.16 4.57 0.00 1.74 1.84 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.53 7.81 74 E 7.70 4.71 0.00 2.02 1.86 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 2.17 2.26 0.00 75 V 8.18 4.67 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 0.98 0.00 0.00 0.85 0.00 0.00 76 G 8.69 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 0.00 0.00 0.00 77 R 9.14 4.38 0.00 1.83 1.89 0.00 3.13 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 T 7.99 4.59 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 1.24 0.00 0.00 79 S 7.48 5.80 0.00 4.02 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 *81 R 8.20 4.57 0.00 1.96 1.91 0.00 3.13 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 82 V 9.13 4.87 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 1.08 0.00 0.00 0.96 0.00 0.00 83 E 9.14 5.05 0.00 2.11 1.83 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 2.28 2.25 0.00 84 V 9.29 4.90 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 1.01 0.00 0.00 85 E 8.62 5.07 0.00 2.16 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 0.00 2.20 2.17 0.00 *87 W 8.45 4.84 0.00 3.26 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 88 V 8.03 4.57 1.93 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 0.45 0.00 0.00 0.41 0.00 0.00 89 E 9.01 4.63 0.00 1.78 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 2.21 2.25 0.00 90 P 0.00 4.44 0.00 2.11 2.26 0.00 3.72 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 2.36 2.27 0.00 91 V 8.19 4.17 2.11 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 0.76 0.00 0.00 0.97 0.00 0.00 92 K 7.82 4.14 0.00 2.13 1.76 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.46 7.81 93 E 8.68 3.94 0.00 1.91 1.89 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 2.31 2.41 0.00 94 G 9.03 4.44 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 0.00 95 E 7.41 4.15 0.00 2.18 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 2.40 2.30 0.00 96 E 8.39 4.77 0.00 1.94 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 2.21 2.26 0.00 97 A 8.71 4.92 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 98 Y 8.16 5.13 0.00 2.96 3.06 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 99 L 8.33 3.41 0.00 0.32 1.17 -0.10 0.70 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 0.00 100 A 8.44 4.61 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 0.00 101 A 7.41 4.84 0.94 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 0.00 0.00 102 R 8.36 4.72 0.00 1.75 1.59 0.00 3.29 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 103 G 9.29 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 0.00 0.00 0.00 0.00 104 G 8.26 4.56 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 0.00 0.00 0.00 105 F 9.37 5.31 0.00 2.94 2.95 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 0.00 106 V 9.25 4.72 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 1.08 0.00 0.00 0.99 0.00 0.00 107 L 8.61 5.29 0.00 1.57 1.48 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.70 4.91 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 0.96 0.00 0.00 0.95 0.00 0.00 109 A 8.86 4.80 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 0.00 110 V 8.74 5.05 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 0.79 0.00 0.00 0.98 0.00 0.00 111 D 9.00 4.70 0.00 2.81 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 0.00 112 E 8.62 4.14 0.00 1.93 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 2.30 2.41 0.00 113 R 8.06 4.11 0.00 2.14 1.96 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 114 G 8.64 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 115 R 9.03 4.41 0.00 1.80 2.06 0.00 3.13 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 116 P 0.00 4.66 0.00 2.08 2.02 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 117 S 9.21 4.80 0.00 3.81 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 0.00 118 P 0.00 4.71 0.00 1.97 1.97 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 119 V 8.38 4.57 2.11 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 0.73 0.00 0.00 1.01 0.00 0.00 120 P 0.00 4.34 0.00 1.89 1.94 0.00 3.52 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 121 P 0.00 4.54 0.00 2.19 2.07 0.00 3.76 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 2.00 1.96 0.00 122 L 8.08 4.58 0.00 1.75 1.64 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.30 4.22 0.00 2.04 1.89 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 2.19 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.