NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1115 8.1545 120.6269 62.8050 32.3373 174.8699 3 Q 4.4664 9.1751 128.6620 53.1401 32.5125 169.8361 4 L 5.0540 8.7507 122.6148 52.4426 45.2364 176.2252 5 V 4.2268 8.9490 124.6062 61.2743 32.4887 173.9162 6 E 5.0750 8.8805 127.9616 56.0799 31.0042 176.0106 7 S 4.6518 9.3196 117.1571 57.9764 67.0107 175.0608 8 G 3.9800 9.0817 107.3744 45.2720 0.0000 173.8235 9 G 4.3944 7.0116 108.0671 43.7689 0.0000 173.0571 10 G 4.0737 7.6052 106.1840 44.3414 0.0000 171.5439 11 S 5.4431 7.9061 115.8544 56.9768 65.0465 174.3683 12 V 4.5508 8.4433 121.4961 60.4050 35.3419 173.7483 13 Q 4.5105 8.5843 119.7389 54.8530 30.1077 175.6933 14 A 4.2275 8.6048 125.1439 54.0851 18.7992 178.3347 15 G 3.9470 8.7330 109.0646 45.3825 0.0000 174.1219 16 G 3.9075 7.9535 107.4584 46.1508 0.0000 172.2762 17 S 5.3242 8.1152 113.4808 56.6043 65.7404 172.7234 18 L 4.3428 8.4067 123.5470 53.9535 45.9188 173.4288 19 R 4.8121 8.4388 125.8172 54.6162 32.3450 174.9690 20 L 4.7607 8.4239 126.4696 53.6784 44.7492 175.6807 21 S 5.2137 9.2316 115.7253 57.4247 67.4855 172.6756 22 C 5.2579 9.5387 125.1645 54.8017 40.2403 171.7721 23 A 4.8663 8.6482 128.2661 50.7404 20.1157 175.9036 24 V 4.9069 8.3426 122.1799 61.0257 34.1879 175.0721 25 S 4.4790 8.7824 121.2358 57.3273 66.5622 174.6323 26 G 3.7252 9.0669 111.8828 46.7682 0.0000 174.0942 27 S 4.0775 7.8847 115.6202 58.2611 61.7661 177.7187 28 T 4.0980 8.5191 123.3886 63.1262 67.4740 173.6482 *29 Y 4.7314 7.1588 117.2246 55.0097 41.0026 179.3659 30 S 4.0711 8.3022 113.8545 57.4781 64.0869 172.8346 31 P 4.2468 0.0000 0.0000 63.9280 31.0657 176.4385 32 C 5.0022 8.4817 118.8150 55.8714 41.5532 172.9329 33 T 4.7509 8.5805 118.0041 62.8181 70.3036 174.1875 34 T 4.8919 8.7247 121.8383 62.0358 72.5748 173.3865 35 G 5.0148 8.5192 113.3681 43.6899 0.0000 170.5636 36 W 5.7618 9.2050 118.9491 55.3494 33.4601 174.8695 37 V 5.1899 9.3379 118.5316 59.4750 34.1510 174.9196 38 R 4.9060 8.4861 120.2679 54.3223 32.4831 174.1023 39 Q 4.8703 9.4490 124.5311 54.7610 30.3962 173.8365 40 A 4.9793 8.4256 128.8554 49.2143 21.3264 174.5887 41 P 3.9427 0.0000 0.0000 63.1998 31.8014 176.8639 *42 G 3.7784 8.5867 108.8332 45.1766 0.0000 171.8396 *44 G 3.8928 8.0448 107.3424 44.7683 0.0000 173.1561 45 L 5.4564 8.4277 118.3164 52.5841 44.6559 176.5903 46 E 4.8154 8.4840 119.0659 54.3858 33.4553 174.1362 47 W 4.5211 9.0529 133.4433 57.9158 30.9385 175.4468 48 V 3.6351 8.8331 128.2727 64.7330 32.3178 175.4054 49 S 4.4855 7.2264 111.7349 58.0879 65.6387 173.6887 50 S 5.2574 8.5059 117.6633 57.8612 68.2647 173.9649 51 I 4.9394 8.7639 122.0427 59.4656 40.0426 176.1100 52 S 4.3293 8.8229 127.5623 59.8054 63.5864 175.3180 *53 S 4.9160 8.6422 120.7366 58.5642 58.8857 176.6152 54 P 4.3761 0.0000 0.0000 63.5662 31.1143 177.1020 55 G 4.0439 7.4985 102.8943 45.2295 0.0000 174.1917 56 T 4.1446 8.0511 118.1545 63.5855 69.4731 173.4502 57 I 5.0628 8.5413 128.7565 60.4745 40.4407 175.0998 *58 Y 5.0130 8.4986 124.1510 56.3225 41.6026 173.6100 59 Y 4.9947 8.6338 116.3603 56.3615 42.5034 174.9982 60 Q 4.0826 8.4664 124.1433 56.0504 30.1229 177.0740 61 D 4.4145 8.9820 125.2533 57.4606 41.1100 178.2898 62 S 4.3132 7.9149 110.3864 59.4374 63.0539 174.6661 63 V 3.8544 7.6332 112.3192 60.2169 33.8088 175.4938 64 K 3.6743 7.2214 119.8735 57.7743 32.2166 176.1159 65 G 4.0229 8.7356 111.3168 45.0504 0.0000 174.1644 66 R 4.4500 7.6672 116.9977 56.8306 32.1923 176.5450 67 F 6.1059 8.0346 115.9022 55.5357 41.8084 175.9942 68 T 4.8455 8.2619 116.9952 62.3029 72.7126 172.3319 69 I 5.1112 9.3467 128.0758 59.4684 39.7465 174.5997 70 S 5.0034 9.1557 122.8274 57.0095 67.1785 172.4074 71 R 4.9655 8.4793 118.5182 55.1224 33.1970 173.9939 72 D 4.7919 9.1095 125.4786 52.1667 42.2047 175.6881 73 N 4.2094 8.9599 122.9837 56.1105 38.9552 177.3254 74 A 4.0239 8.2561 119.1013 54.7420 18.3678 178.1557 75 K 4.2894 8.1379 112.9291 55.6711 33.2614 176.0255 76 N 4.1948 8.0723 116.9517 54.9276 37.9745 172.8727 77 T 5.0493 7.6619 111.1248 61.1476 72.3488 173.2503 78 V 4.5671 8.2418 124.8944 61.2867 34.3760 173.9226 79 Y 5.3227 8.8617 125.2166 56.2620 41.2863 174.7563 80 L 4.8788 8.3193 123.2647 53.3245 44.8499 175.0264 81 Q 4.3417 9.3582 129.7892 55.3377 30.4145 174.2911 82 M 4.0471 9.0188 128.0562 53.5789 33.8762 174.8865 83 N 4.9638 8.8690 121.5539 51.6154 41.1132 175.1314 84 S 3.7892 8.5274 114.3921 59.3763 60.6625 173.6009 85 L 4.1812 8.0958 122.6089 56.0518 42.0256 178.5485 86 Q 4.7775 9.3730 122.7288 52.9317 30.4965 173.1877 87 R 3.9659 8.6545 117.0643 61.3340 30.1791 179.9313 88 E 4.0459 8.2788 112.6610 58.9673 29.6292 180.1388 89 D 4.8710 8.1465 115.4907 55.5254 41.2514 176.7850 90 T 4.3050 8.0862 117.5975 62.6181 69.2348 174.3888 91 G 4.1391 8.6054 113.6651 46.4669 0.0000 170.4032 92 M 4.8454 8.2886 120.4754 54.7997 33.7319 174.3221 93 Y 5.1483 9.3918 124.7148 56.9440 39.9905 174.4077 94 Y 5.6988 9.6009 123.0063 56.5475 40.9727 172.4014 95 C 4.8125 10.4587 117.3799 53.4832 45.3003 172.5288 96 Q 4.5375 8.1726 121.7747 54.1024 31.9483 174.0830 97 I 5.1447 8.0656 116.5961 59.3455 41.4839 174.0823 98 Q 5.3567 8.6522 121.8384 53.7136 33.2479 173.3900 99 C 4.9798 8.6136 121.9435 55.2168 43.8384 175.5892 *102 R 4.0081 8.4941 125.7798 56.5652 30.7385 173.1183 *103 S 4.6231 8.0379 117.9612 58.6074 63.6515 176.7063 104 I 4.3919 8.0047 121.2034 59.0917 35.8238 174.6173 105 R 3.8792 7.6540 120.7471 57.1904 31.1390 175.4653 106 E 4.4823 8.0012 123.0673 54.6900 31.9995 174.0796 107 Y 4.9923 8.2783 124.6493 55.9985 41.5758 174.9631 108 W 5.3846 8.8290 120.3021 55.2601 33.5803 175.0476 109 G 4.2557 8.4813 108.2181 45.4753 0.0000 173.5499 110 Q 4.3622 8.9733 117.2316 55.9961 29.3270 177.2692 111 G 4.1139 8.8524 102.4782 45.4743 0.0000 172.7073 112 T 4.5922 8.5420 114.2129 60.0014 70.9751 172.9476 113 Q 4.6131 8.7841 130.2028 56.2331 30.9194 174.8384 114 V 4.8296 8.9066 124.9566 61.7173 34.9278 173.9068 115 T 4.9367 8.7419 125.2198 61.6812 71.1555 173.4268 116 V 4.8382 8.3007 125.9998 61.1301 33.9482 175.5332 117 S 4.5014 8.3884 122.4812 58.6440 62.5730 174.0492 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 V 8.15 4.11 1.51 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 -0.07 0.00 0.00 0.71 0.00 0.00 3 Q 9.18 4.47 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.61 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 4 L 8.75 5.05 0.00 1.45 1.53 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.95 4.23 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 1.00 0.00 0.00 0.94 0.00 0.00 6 E 8.88 5.07 0.00 2.04 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 2.31 2.31 0.00 7 S 9.32 4.65 0.00 3.91 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 0.00 8 G 9.08 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 0.00 0.00 0.00 0.00 9 G 7.01 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 0.00 0.00 0.00 0.00 10 G 7.61 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 11 S 7.91 5.44 0.00 3.73 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 12 V 8.44 4.55 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 0.65 0.00 0.00 0.93 0.00 0.00 13 Q 8.58 4.51 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.43 1.93 0.00 14 A 8.60 4.23 1.21 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 0.00 0.00 15 G 8.73 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 0.00 0.00 0.00 16 G 7.95 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 17 S 8.12 5.32 0.00 3.79 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 18 L 8.41 4.34 0.00 1.52 1.15 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.44 4.81 0.00 1.69 1.66 0.00 3.13 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 20 L 8.42 4.76 0.00 0.83 1.28 0.23 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.23 5.21 0.00 3.87 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 22 C 9.54 5.26 0.00 2.72 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 A 8.65 4.87 1.27 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 0.00 0.00 24 V 8.34 4.91 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 0.77 0.00 0.00 0.85 0.00 0.00 25 S 8.78 4.48 0.00 3.83 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 26 G 9.07 3.73 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 0.00 0.00 0.00 27 S 7.88 4.08 0.00 3.64 3.72 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 28 T 8.52 4.10 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 1.22 0.00 0.00 *29 Y 7.16 4.73 0.00 2.31 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 0.00 0.00 0.00 30 S 8.30 4.07 0.00 3.84 3.87 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 0.00 0.00 0.00 0.00 31 P 0.00 4.25 0.00 2.16 2.07 0.00 3.74 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 1.98 1.99 0.00 32 C 8.48 5.00 0.00 2.84 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 33 T 8.58 4.75 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 1.21 0.00 0.00 34 T 8.72 4.89 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 1.08 0.00 0.00 35 G 8.52 5.01 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 0.00 0.00 0.00 36 W 9.20 5.76 0.00 3.36 3.31 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 37 V 9.34 5.19 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 1.19 0.00 0.00 1.21 0.00 0.00 38 R 8.49 4.91 0.00 0.76 0.69 0.00 2.56 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.34 0.00 39 Q 9.45 4.87 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 40 A 8.43 4.98 1.27 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 0.00 0.00 41 P 0.00 3.94 0.00 2.07 2.07 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 *42 G 8.59 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 G 8.04 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 45 L 8.43 5.46 0.00 1.51 1.57 0.72 0.65 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 46 E 8.48 4.82 0.00 2.10 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 0.00 2.18 2.25 0.00 47 W 9.05 4.52 0.00 3.40 3.31 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 48 V 8.83 3.64 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 1.12 0.00 0.00 1.01 0.00 0.00 49 S 7.23 4.49 0.00 3.94 3.73 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 50 S 8.51 5.26 0.00 4.15 3.84 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 51 I 8.76 4.94 1.91 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 1.31 1.49 1.02 0.00 0.00 52 S 8.82 4.33 0.00 4.02 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 *53 S 8.64 4.92 0.00 3.74 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 0.00 54 P 0.00 4.38 0.00 2.03 2.15 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 55 G 7.50 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 56 T 8.05 4.14 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 1.22 0.00 0.00 57 I 8.54 5.06 1.89 0.00 0.00 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 1.20 0.80 0.57 0.00 0.00 *58 Y 8.50 5.01 0.00 1.95 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 0.00 0.00 0.00 0.00 59 Y 8.63 4.99 0.00 2.78 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 60 Q 8.47 4.08 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 61 D 8.98 4.41 0.00 2.77 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 62 S 7.91 4.31 0.00 3.89 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 63 V 7.63 3.85 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 0.00 0.00 0.00 0.77 0.00 0.00 64 K 7.22 3.67 0.00 1.78 1.66 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.63 7.81 65 G 8.74 4.02 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 0.00 0.00 0.00 66 R 7.67 4.45 0.00 1.82 2.35 0.00 3.31 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 67 F 8.03 6.11 0.00 2.65 2.91 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 68 T 8.26 4.85 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 1.32 0.00 0.00 69 I 9.35 5.11 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.88 0.00 0.00 70 S 9.16 5.00 0.00 4.02 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 71 R 8.48 4.97 0.00 1.81 1.81 0.00 3.16 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 72 D 9.11 4.79 0.00 2.95 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 73 N 8.96 4.21 0.00 2.80 2.88 0.00 0.00 6.88 7.58 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 74 A 8.26 4.02 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 0.00 0.00 0.00 0.00 0.00 75 K 8.14 4.29 0.00 1.90 1.91 0.00 2.07 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.58 7.81 76 N 8.07 4.19 0.00 3.01 2.80 0.00 0.00 6.81 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 77 T 7.66 5.05 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 0.75 0.00 0.00 78 V 8.24 4.57 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 1.18 0.00 0.00 0.88 0.00 0.00 79 Y 8.86 5.32 0.00 2.96 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 80 L 8.32 4.88 0.00 0.74 0.58 0.97 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.36 4.34 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 82 M 9.02 4.05 0.00 0.78 1.38 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.00 83 N 8.87 4.96 0.00 2.69 2.71 0.00 0.00 7.13 7.17 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 84 S 8.53 3.79 0.00 4.02 3.92 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 85 L 8.10 4.18 0.00 1.71 1.63 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 9.37 4.78 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 87 R 8.65 3.97 0.00 1.88 2.04 0.00 3.12 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 88 E 8.28 4.05 0.00 1.98 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 2.23 1.92 0.00 89 D 8.15 4.87 0.00 2.89 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 90 T 8.09 4.31 4.30 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 1.34 0.00 0.00 91 G 8.61 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 0.00 0.00 0.00 0.00 92 M 8.29 4.85 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.15 0.00 93 Y 9.39 5.15 0.00 3.15 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 94 Y 9.60 5.70 0.00 3.13 3.13 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 95 C 10.46 4.81 0.00 1.67 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 96 Q 8.17 4.54 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 97 I 8.07 5.14 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.78 0.00 0.00 98 Q 8.65 5.36 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 99 C 8.61 4.98 0.00 2.82 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 *102 R 8.49 4.01 0.00 1.85 1.84 0.00 3.25 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *103 S 8.04 4.62 0.00 3.62 3.66 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 0.00 104 I 8.00 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.91 0.00 0.00 105 R 7.65 3.88 0.00 1.62 1.17 0.00 3.15 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.20 0.00 106 E 8.00 4.48 0.00 1.71 1.64 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 1.91 1.98 0.00 107 Y 8.28 4.99 0.00 2.84 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 0.00 108 W 8.83 5.38 0.00 3.21 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 0.00 109 G 8.48 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 0.00 0.00 0.00 0.00 110 Q 8.97 4.36 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 111 G 8.85 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 0.00 0.00 0.00 112 T 8.54 4.59 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 1.41 0.00 0.00 113 Q 8.78 4.61 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 114 V 8.91 4.83 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 0.64 0.00 0.00 0.59 0.00 0.00 115 T 8.74 4.94 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 1.22 0.00 0.00 116 V 8.30 4.84 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 0.81 0.00 0.00 0.94 0.00 0.00 117 S 8.39 4.50 0.00 3.76 3.73 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 * Residues marked with a * may have inaccurate shift predictions.