NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9410 8.3549 109.7385 45.1758 0.0000 173.7467 2 K 4.1279 8.5349 124.5015 55.2594 33.0651 171.3208 3 V 4.2203 7.9963 120.3585 63.8151 34.8243 176.9612 4 S 4.2510 7.7996 114.8462 57.9606 64.5666 174.7411 5 I 3.4628 8.2521 126.6238 64.1509 36.8872 176.9303 6 P 3.9721 0.0000 0.0000 65.6143 31.0525 178.3602 7 S 3.6031 7.5091 112.5535 61.0558 62.1865 176.2320 8 I 3.6785 7.6685 122.5656 64.2029 36.7668 178.4809 9 V 3.5333 7.7704 119.2105 66.1317 31.3430 177.2792 10 Y 4.0698 7.9456 119.3901 60.9015 38.5853 177.7600 11 D 4.1542 8.1277 118.7775 57.2313 41.2967 178.2222 12 I 3.6653 8.0073 120.7204 64.3423 37.0967 178.6211 13 V 3.5347 7.9859 119.2695 65.8598 31.1385 177.9224 14 R 3.8843 7.8956 117.8185 59.5780 29.9366 178.4332 15 K 4.1099 7.8982 116.9562 59.1678 32.0603 178.5850 16 N 4.4119 7.8998 117.1665 54.9312 38.9939 176.0541 17 G 3.9660 8.2109 107.7069 44.9005 0.0000 173.9356 18 G 3.7665 7.9246 108.7851 45.6010 0.0000 173.2257 19 N 4.9516 8.7996 116.8331 52.0980 39.7632 173.5786 20 K 4.8985 8.6126 120.9972 55.2311 33.9423 175.3341 21 I 4.6839 8.6512 126.7533 59.2300 40.2202 174.4445 22 L 4.7302 8.8797 129.8457 53.6245 43.6614 174.7987 23 L 4.8572 8.8290 130.0693 53.7681 43.8567 175.3497 24 V 4.9111 8.5977 129.1964 59.8939 30.8540 174.7526 25 G 4.5384 7.5323 116.7428 45.5878 0.0000 169.7467 26 N 3.6620 8.0623 116.6655 52.4725 38.4116 175.1904 27 G 3.5141 7.7333 107.9556 47.2316 0.0000 175.8803 *29 L 4.1844 8.2571 119.5867 54.4339 44.9313 178.5742 30 A 4.0859 8.0224 119.7290 55.5279 17.9732 179.6722 31 S 4.3221 8.3183 112.5530 61.7587 62.9538 176.4576 32 E 4.2200 8.0944 120.2191 59.0351 29.5895 178.6208 33 I 4.0329 7.7398 119.3867 63.6942 37.3727 177.7591 34 A 4.3796 7.9997 123.1172 54.2369 17.8239 177.8673 35 P 4.2338 0.0000 0.0000 65.2150 31.4347 177.5137 36 Y 3.9981 7.9179 114.1295 57.5219 38.0249 175.1428 37 F 4.9759 7.9290 118.1345 55.7411 41.1959 174.5303 38 S 5.0971 8.7434 121.0203 56.5274 66.6169 173.3241 39 Y 5.0911 9.0894 123.9709 56.6866 39.1647 173.7246 40 P 3.0482 0.0000 0.0000 62.4539 32.1621 176.7117 41 Q 3.9542 8.0683 118.6235 58.8398 29.1337 176.2076 42 Y 4.8769 8.3839 113.7877 56.0732 42.6762 175.3043 43 K 4.5879 9.3135 122.5011 54.9782 34.0198 174.6947 44 V 4.4532 8.2050 125.3409 61.4884 33.5250 174.2842 45 T 4.9715 8.6883 124.8776 61.8132 71.0524 173.4282 46 V 4.6574 9.0055 127.3109 62.0161 33.3441 174.5853 47 A 5.5770 8.3090 128.7055 49.5369 22.7836 175.0229 48 G 4.4102 8.3504 105.9553 46.4000 0.0000 173.7125 49 R 4.2846 8.7467 117.1971 56.4698 31.3011 176.8039 50 N 4.7012 7.7722 116.2051 51.7742 39.5545 174.5008 51 I 3.7917 8.1080 128.9297 64.1095 38.3395 177.1983 52 D 4.3478 8.1140 119.4228 57.5637 40.7058 178.3244 53 H 4.3152 8.3428 116.3837 58.7429 28.6614 177.9344 54 V 3.6279 7.8915 120.0810 66.0505 31.3570 178.0249 55 R 2.8013 8.1197 118.4403 59.0475 29.6233 178.3342 56 A 3.9245 7.6251 119.2824 54.9868 18.5369 179.1367 57 F 4.1965 8.3863 118.9610 61.5195 39.4996 177.3135 58 A 4.2552 8.6244 120.8166 55.1556 17.8742 179.2301 59 E 3.8109 8.3016 118.1272 59.1586 29.4274 178.9740 60 K 3.6264 7.4279 119.4001 58.6842 32.2385 176.8601 61 Y 4.1127 7.1382 112.6663 56.5395 38.5716 175.0043 62 E 3.7754 7.0606 117.1528 57.7501 27.6359 173.8539 63 Y 5.2397 7.9403 115.5016 56.3702 41.1424 177.1521 64 E 4.5030 8.4836 121.4113 57.0510 30.8280 175.5638 65 Y 5.6475 8.0011 119.0759 56.0758 41.7841 174.2920 66 V 4.5097 8.8227 118.4583 60.2968 35.3176 173.0136 67 L 4.7552 8.4924 125.3306 54.5072 42.7464 176.4075 68 I 3.6435 8.4859 128.2002 62.0618 37.0573 173.9886 69 N 4.6208 9.0479 123.7862 53.7430 41.0055 173.5413 70 D 4.7511 7.6093 124.6722 52.2870 41.8788 176.7064 71 I 3.7796 8.1644 127.7055 63.8154 37.9516 177.1873 72 D 4.3891 8.2455 119.7417 57.1493 40.4296 178.2823 73 S 4.0827 7.8409 112.9564 61.4528 62.3103 175.9846 74 L 4.1501 7.8495 121.1631 57.7773 41.4956 179.4292 75 I 3.7588 8.0012 119.9278 64.2284 36.8569 178.2532 76 K 3.9401 8.1918 119.7332 59.2086 32.0394 177.5186 77 N 4.7685 7.5010 113.1995 52.4159 39.0470 174.2965 78 N 5.1164 7.3363 117.1001 51.5360 42.6834 173.8312 79 D 4.6002 8.7982 119.6370 55.7696 42.8520 177.0315 80 V 4.6515 7.4383 117.3566 60.9103 35.2744 174.2219 81 I 4.8591 8.6532 128.3729 59.5491 40.1642 174.3990 82 I 4.9881 8.9217 128.8020 59.6377 40.0329 174.6232 83 T 4.9610 8.8006 117.6943 59.4813 71.0301 174.9906 84 A 4.7907 8.4878 125.8852 51.4183 18.4753 173.6226 85 T 4.6981 8.8094 117.1902 60.2279 72.1992 172.4977 86 S 5.1438 8.6888 115.6121 56.6152 64.8283 173.9144 87 S 4.6677 8.4133 117.5053 56.0503 65.9993 174.8214 88 K 4.0054 8.8986 124.7683 58.9852 32.2137 176.5366 89 T 4.7509 7.3609 105.6123 58.4484 71.9434 171.4479 90 P 4.4319 0.0000 0.0000 63.1213 31.7652 177.1759 91 I 3.7749 8.3376 123.6090 63.1891 37.4997 176.3347 92 V 4.1579 7.5739 120.2648 60.9433 32.5886 174.8542 93 E 4.5075 8.3089 127.0561 54.8175 31.1173 177.1488 94 E 3.8340 8.9353 121.0220 59.4775 29.5482 179.2581 95 R 3.9834 7.8545 113.1471 58.4296 29.5771 177.1779 96 S 4.4719 7.7890 113.3264 58.7713 63.4115 174.1702 97 L 3.6184 7.4186 121.9730 53.1410 42.0477 174.6543 *99 P 4.1190 0.0000 0.0000 63.9116 32.2051 176.7459 100 G 3.9115 9.0095 107.6523 45.5327 0.0000 172.9909 101 K 4.6345 7.6870 117.3420 54.1412 35.2921 175.0789 102 L 4.4753 8.0388 124.9771 53.5294 44.1877 174.9747 103 F 5.2477 8.7136 124.5829 55.7347 41.9980 174.2456 104 I 4.7173 8.9381 124.8751 59.6448 40.4242 174.2603 105 D 5.3700 9.2757 128.7641 51.9623 42.1022 175.6895 106 L 4.5230 8.9421 125.6601 54.5099 42.3051 177.4021 107 G 3.9641 8.3700 106.9679 46.0559 0.0000 173.6341 108 N 5.0549 8.1522 119.3527 51.2536 41.6590 172.9396 109 P 4.5738 0.0000 0.0000 61.3922 32.7912 173.7451 110 P 4.4075 0.0000 0.0000 63.5576 31.6182 176.3368 111 N 4.7751 8.7663 118.4676 53.6044 39.8489 174.8485 112 I 5.0078 7.6498 118.8092 58.7305 40.7361 174.9155 113 E 3.9114 8.6354 127.4531 56.8616 29.8280 177.1323 114 R 4.0598 8.7749 125.8172 55.7031 31.1412 176.1653 115 G 3.9276 7.8199 108.5467 45.7620 0.0000 173.2231 116 N 4.4626 8.7394 116.0059 55.4637 38.5228 175.8705 117 N 4.7555 8.0230 114.1240 52.6613 37.7861 174.6827 118 V 4.6142 7.6643 118.9541 61.6592 34.3928 174.3828 119 I 4.5984 8.5767 128.8492 60.4167 39.7346 174.5782 120 T 5.4550 8.5690 117.9527 58.8003 71.6884 174.8875 121 L 3.9406 8.6436 123.1719 58.5478 41.9537 178.5448 122 D 4.4731 8.1508 117.3783 57.4895 41.2545 177.9715 123 E 4.0625 8.2438 118.9308 59.3446 29.3520 179.3480 124 I 3.7166 7.8737 120.0298 64.5821 37.1155 178.1104 125 Y 4.0649 8.4464 117.9564 60.6161 37.6341 177.9322 126 E 3.9743 8.2580 120.6498 59.3133 29.6769 178.8215 127 I 3.6908 7.6706 119.6647 64.4576 37.1320 178.2054 128 S 4.0560 8.2305 113.9483 61.3945 62.0061 176.1717 129 K 3.9882 8.3405 121.1626 59.4532 32.0312 178.5326 130 K 4.1287 7.9405 117.6739 59.6871 32.2461 178.8266 131 N 4.5589 8.4989 116.9598 55.9565 38.2794 177.1038 132 E 4.1349 8.3428 116.9679 57.6415 29.4130 178.0500 *134 L 4.2615 7.8554 119.5516 54.5708 43.5418 178.6260 135 R 4.2011 8.1292 112.6212 57.3967 29.7109 176.7938 136 E 4.3579 7.4869 114.7699 56.6781 30.0889 175.6968 137 E 4.5288 7.8999 119.0551 55.6541 31.3683 176.2154 138 K 4.2295 8.6524 120.6315 56.8330 31.5577 176.3284 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 G 8.35 3.94 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 0.00 2 K 8.53 4.13 0.00 1.83 1.74 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.47 7.81 3 V 8.00 4.22 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 0.91 0.00 0.00 1.07 0.00 0.00 4 S 7.80 4.25 0.00 4.08 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 5 I 8.25 3.46 1.70 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.13 0.70 0.00 0.00 6 P 0.00 3.97 0.00 1.56 2.23 0.00 3.51 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 2.05 2.02 0.00 7 S 7.51 3.60 0.00 3.88 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 8 I 7.67 3.68 1.89 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 1.36 0.60 0.86 0.00 0.00 9 V 7.77 3.53 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 0.91 0.00 0.00 10 Y 7.95 4.07 0.00 2.54 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 11 D 8.13 4.15 0.00 3.02 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 12 I 8.01 3.67 1.99 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 1.38 0.47 0.88 0.00 0.00 13 V 7.99 3.53 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 0.90 0.00 0.00 0.91 0.00 0.00 14 R 7.90 3.88 0.00 1.21 1.83 0.00 3.34 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 15 K 7.90 4.11 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 16 N 7.90 4.41 0.00 2.70 3.02 0.00 0.00 7.43 8.13 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 17 G 8.21 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 18 G 7.92 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 19 N 8.80 4.95 0.00 2.64 2.87 0.00 0.00 6.03 7.20 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 20 K 8.61 4.90 0.00 1.82 1.94 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 21 I 8.65 4.68 1.62 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.77 0.55 0.00 0.00 22 L 8.88 4.73 0.00 1.67 1.48 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.83 4.86 0.00 1.67 1.48 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.60 4.91 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 1.28 0.00 0.00 0.94 0.00 0.00 25 G 7.53 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 0.00 0.00 0.00 0.00 26 N 8.06 3.66 0.00 2.53 2.43 0.00 0.00 5.94 7.00 0.00 0.00 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 G 7.73 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 0.00 0.00 0.00 *29 L 8.26 4.18 0.00 1.79 1.73 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.02 4.09 1.13 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 0.00 0.00 31 S 8.32 4.32 0.00 4.04 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 32 E 8.09 4.22 0.00 2.14 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 2.46 0.00 33 I 7.74 4.03 2.12 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 1.46 0.63 1.20 0.00 0.00 34 A 8.00 4.38 0.52 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 0.00 0.00 35 P 0.00 4.23 0.00 1.78 2.02 0.00 3.83 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 2.04 2.23 0.00 36 Y 7.92 4.00 0.00 2.48 2.16 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 37 F 7.93 4.98 0.00 3.10 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 38 S 8.74 5.10 0.00 3.98 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 39 Y 9.09 5.09 0.00 3.07 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 40 P 0.00 3.05 0.00 1.72 1.24 0.00 3.77 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 1.75 1.80 0.00 41 Q 8.07 3.95 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 42 Y 8.38 4.88 0.00 3.12 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 43 K 9.31 4.59 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.50 7.81 44 V 8.21 4.45 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 0.00 0.00 0.29 0.00 0.00 0.75 0.00 0.00 45 T 8.69 4.97 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 1.23 0.00 0.00 46 V 9.01 4.66 2.38 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 1.04 0.00 0.00 1.45 0.00 0.00 47 A 8.31 5.58 1.22 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 0.00 0.00 48 G 8.35 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 0.00 0.00 0.00 0.00 49 R 8.75 4.28 0.00 1.81 1.99 0.00 3.19 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 50 N 7.77 4.70 0.00 2.70 2.69 0.00 0.00 6.87 7.98 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 51 I 8.11 3.79 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.45 0.94 0.00 0.00 52 D 8.11 4.35 0.00 2.74 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 53 H 8.34 4.32 0.00 3.35 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.89 3.63 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 1.21 0.00 0.00 1.04 0.00 0.00 55 R 8.12 2.80 0.00 1.57 1.71 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.21 0.00 56 A 7.63 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 57 F 8.39 4.20 0.00 3.26 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 58 A 8.62 4.26 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.30 3.81 0.00 2.07 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 2.22 2.27 0.00 60 K 7.43 3.63 0.00 1.31 1.12 0.00 1.54 0.00 0.00 1.22 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.89 7.81 61 Y 7.14 4.11 0.00 1.88 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 0.00 0.00 0.00 62 E 7.06 3.78 0.00 2.10 1.99 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 2.21 2.15 0.00 63 Y 7.94 5.24 0.00 3.05 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 64 E 8.48 4.50 0.00 2.09 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 0.00 2.32 2.28 0.00 65 Y 8.00 5.65 0.00 3.10 3.01 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 66 V 8.82 4.51 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 0.68 0.00 0.00 0.92 0.00 0.00 67 L 8.49 4.76 0.00 1.73 1.65 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.49 3.64 1.89 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 1.13 0.74 0.92 0.00 0.00 69 N 9.05 4.62 0.00 2.63 2.70 0.00 0.00 6.94 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 70 D 7.61 4.75 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 3.78 1.88 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 1.66 1.09 0.92 0.00 0.00 72 D 8.25 4.39 0.00 2.90 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 73 S 7.84 4.08 0.00 3.98 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 74 L 7.85 4.15 0.00 1.90 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.00 3.76 1.94 0.00 0.00 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 1.57 1.23 1.13 0.00 0.00 76 K 8.19 3.94 0.00 1.81 2.02 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 77 N 7.50 4.77 0.00 2.73 2.82 0.00 0.00 6.81 7.66 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 78 N 7.34 5.12 0.00 2.63 2.71 0.00 0.00 6.89 7.99 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 79 D 8.80 4.60 0.00 2.64 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 80 V 7.44 4.65 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 0.79 0.00 0.00 0.82 0.00 0.00 81 I 8.65 4.86 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 1.03 0.00 0.00 82 I 8.92 4.99 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.90 0.00 0.00 83 T 8.80 4.96 4.42 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 1.24 0.00 0.00 84 A 8.49 4.79 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 85 T 8.81 4.70 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 1.27 0.00 0.00 86 S 8.69 5.14 0.00 3.87 3.81 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 0.00 0.00 0.00 0.00 87 S 8.41 4.67 0.00 4.04 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 88 K 8.90 4.01 0.00 1.72 1.88 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 89 T 7.36 4.75 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 90 P 0.00 4.43 0.00 2.03 2.08 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 91 I 8.34 3.77 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 1.18 0.46 0.92 0.00 0.00 92 V 7.57 4.16 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 0.90 0.00 0.00 0.96 0.00 0.00 93 E 8.31 4.51 0.00 2.03 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 2.34 2.26 0.00 94 E 8.94 3.83 0.00 2.35 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 0.00 2.27 2.25 0.00 95 R 7.85 3.98 0.00 1.94 2.03 0.00 3.06 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 96 S 7.79 4.47 0.00 3.96 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 97 L 7.42 3.62 0.00 1.52 1.14 0.69 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *99 P 0.00 4.12 0.00 2.22 2.12 0.00 3.84 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 1.91 1.99 0.00 100 G 9.01 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 0.00 101 K 7.69 4.63 0.00 1.09 1.06 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.69 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.37 7.81 102 L 8.04 4.48 0.00 1.67 1.35 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.71 5.25 0.00 3.16 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 0.00 104 I 8.94 4.72 1.86 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 1.11 0.71 0.91 0.00 0.00 105 D 9.28 5.37 0.00 2.77 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 0.00 106 L 8.94 4.52 0.00 1.64 1.67 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.37 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 0.00 0.00 0.00 108 N 8.15 5.05 0.00 2.55 2.68 0.00 0.00 7.17 7.57 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 0.00 109 P 0.00 4.57 0.00 2.22 2.09 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 110 P 0.00 4.41 0.00 2.05 2.13 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 111 N 8.77 4.78 0.00 2.81 2.85 0.00 0.00 6.64 7.35 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 0.00 112 I 7.65 5.01 1.85 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.75 0.00 0.00 113 E 8.64 3.91 0.00 1.93 1.80 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 2.28 2.28 0.00 114 R 8.77 4.06 0.00 1.83 1.83 0.00 3.52 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 115 G 7.82 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 0.00 116 N 8.74 4.46 0.00 2.73 2.90 0.00 0.00 6.81 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.02 4.76 0.00 2.88 2.93 0.00 0.00 5.73 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 0.00 118 V 7.66 4.61 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 0.80 0.00 0.00 0.89 0.00 0.00 119 I 8.58 4.60 1.89 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 1.29 1.39 0.97 0.00 0.00 120 T 8.57 5.45 4.27 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 1.23 0.00 0.00 121 L 8.64 3.94 0.00 1.82 1.79 0.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.15 4.47 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 0.00 123 E 8.24 4.06 0.00 2.26 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 2.35 2.37 0.00 124 I 7.87 3.72 1.91 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 1.72 0.84 0.72 0.00 0.00 125 Y 8.45 4.06 0.00 3.22 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 0.00 126 E 8.26 3.97 0.00 2.09 2.20 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 2.33 2.38 0.00 127 I 7.67 3.69 2.04 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 1.41 0.63 0.90 0.00 0.00 128 S 8.23 4.06 0.00 3.86 4.10 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 0.00 129 K 8.34 3.99 0.00 1.81 1.87 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.51 7.81 130 K 7.94 4.13 0.00 2.00 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.63 7.81 131 N 8.50 4.56 0.00 2.90 3.00 0.00 0.00 6.68 8.42 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 0.00 132 E 8.34 4.13 0.00 2.22 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 0.00 2.33 2.38 0.00 *134 L 7.86 4.26 0.00 1.78 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.13 4.20 0.00 1.93 2.06 0.00 3.06 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 1.95 1.61 0.00 136 E 7.49 4.36 0.00 2.06 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 2.52 2.42 0.00 137 E 7.90 4.53 0.00 2.09 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 2.27 2.26 0.00 138 K 8.65 4.23 0.00 1.91 1.96 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.