NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.1774 8.2531 123.5840 50.6828 20.5482 177.8159 16 G 4.0096 8.0408 100.6789 46.0117 0.0000 172.3676 17 I 4.0193 8.0118 122.4026 63.2375 38.8173 175.4047 18 T 3.9422 7.6999 115.7824 64.0368 69.1642 173.5278 19 G 3.5333 7.8379 112.2617 44.6952 0.0000 171.5919 20 T 4.6754 7.6809 117.2399 61.6816 70.2841 174.5069 21 W 4.7366 8.1166 124.9240 54.8453 33.5542 173.8852 22 Y 5.3706 9.1317 119.7899 56.5611 41.4017 175.7870 23 N 5.2646 9.0727 120.7789 51.4539 39.7668 175.1863 24 Q 4.5568 8.5545 117.1639 56.4599 28.8081 175.5024 25 L 4.6359 8.4783 115.7446 54.8899 42.5739 177.0500 26 G 4.0071 8.7695 106.0169 45.3024 0.0000 173.5701 27 S 5.1245 8.6667 115.6920 57.2084 65.7913 173.3632 28 T 5.0674 8.6901 118.8049 61.8728 72.3735 173.2095 29 F 5.0566 8.6420 120.2851 55.2148 42.5955 173.0923 30 I 4.9664 8.8623 118.4214 59.4030 41.0120 174.1353 31 V 4.9248 8.8660 128.1023 60.2977 35.4071 174.2316 32 T 4.7182 8.9401 119.3859 61.8125 71.1415 173.1867 33 A 4.4121 8.7477 129.7235 50.2342 19.4846 177.2218 34 G 3.8375 9.3669 111.3473 45.5266 0.0000 173.5904 35 A 4.0734 8.5859 122.7448 54.5612 18.4425 178.3101 36 D 4.5559 8.1465 112.9649 53.1975 40.0309 177.2844 37 G 3.2636 8.2235 108.5610 45.1052 0.0000 173.1661 38 A 4.7747 8.1460 121.8150 51.4264 20.2282 176.7591 39 L 5.3197 8.8476 121.0271 53.1473 44.6264 175.9047 40 T 4.8681 9.0173 113.1505 59.3535 72.4321 174.3542 41 G 4.0735 7.4278 109.5552 46.7027 0.0000 171.2504 42 T 5.2029 7.9931 117.1466 61.8189 73.4264 172.9048 43 F 5.2496 9.4817 127.4087 56.5994 42.3346 174.1221 44 E 5.8717 9.1141 123.1699 54.7638 33.0280 174.4911 45 S 4.6730 9.0979 114.8144 60.4030 62.7195 174.1282 *49 N 4.4409 7.8840 115.2521 51.1573 38.9643 175.4435 50 A 3.9337 8.2797 121.6971 55.4585 18.5135 179.7938 51 E 3.9062 7.7619 113.3632 58.5871 29.8596 177.5339 52 S 4.9200 8.1480 114.3142 58.2484 64.2548 173.4531 53 R 5.3149 7.6105 119.5497 54.8838 31.7857 175.4006 54 Y 4.8982 9.1221 119.8160 55.9459 42.7365 174.9324 55 V 4.3305 8.6356 122.4637 62.9582 32.7116 175.0881 56 L 5.1439 8.7978 126.8778 54.4256 43.8217 175.1752 57 T 4.9518 8.4067 114.1882 61.3940 71.3784 173.2814 58 G 4.6340 8.6490 112.6506 46.4653 0.0000 172.0714 59 R 5.5478 8.6739 117.8616 54.9405 34.8712 174.0693 60 Y 5.2808 8.6400 118.6472 55.2200 41.8168 174.6705 61 D 4.3115 9.1005 120.7258 54.1621 40.6187 176.8600 62 S 4.3240 8.1572 120.7816 59.0766 64.0915 174.2662 63 A 4.6862 8.1707 123.4787 50.0749 18.4792 173.5589 64 P 4.7706 0.0000 0.0000 60.9373 32.6726 176.9902 65 A 4.2760 8.3724 122.0574 52.7988 18.7634 177.2387 66 T 4.6591 8.2903 108.0311 61.7514 69.2171 174.5625 67 D 4.7565 8.5275 118.6989 54.1264 39.6274 176.8748 68 G 3.9787 8.3894 107.6296 45.6398 0.0000 174.4555 69 S 4.3239 7.9094 115.5429 58.0539 63.4044 174.1393 70 G 3.9938 8.3425 110.0933 46.3987 0.0000 172.6716 71 T 4.7980 8.8773 116.6799 61.5349 70.0945 174.8990 72 A 4.8078 8.6750 129.2938 52.2775 19.9284 175.8107 73 L 4.9970 8.9306 119.8641 55.6008 44.6051 173.8747 74 G 4.6123 9.1830 105.5211 45.6298 0.0000 172.0136 75 W 5.7036 8.5194 116.7758 55.6555 32.2517 173.4148 76 T 5.1580 9.1511 116.6452 61.7665 71.9437 173.3726 77 V 4.5687 8.6307 124.5698 60.8756 34.2979 174.0578 78 A 4.3644 8.3297 129.9272 50.1294 19.5885 177.9730 79 W 4.1762 8.5203 126.3395 55.9025 28.4378 176.3906 80 K 5.1863 7.8592 118.3020 54.6686 34.7805 174.4758 81 N 5.0045 8.9743 122.3255 51.8421 39.9513 174.1992 82 N 4.1329 8.5063 113.8879 55.3193 38.6435 175.1266 83 Y 4.6852 8.0213 115.0149 58.0231 40.2941 175.4683 84 R 4.5172 7.6656 114.1657 55.6824 32.3567 173.8855 85 N 5.0602 8.4644 117.3012 52.9184 40.0408 173.6208 86 A 4.2670 9.0471 128.7729 51.8157 19.6167 176.4339 87 H 4.1722 8.5623 113.9315 56.0544 26.9504 173.4299 88 S 5.2269 7.4150 111.3121 57.7656 66.9426 174.3500 89 A 4.9376 9.1096 121.3678 50.8225 22.8451 175.1659 90 T 4.8652 8.5091 118.2701 61.7455 71.4969 173.4261 91 T 4.8660 8.3987 116.0042 59.6405 71.7095 172.9483 92 W 4.9793 8.6829 125.2718 54.8587 31.5503 174.7804 93 S 4.9768 8.7073 119.8799 56.8372 64.8412 173.1158 94 G 4.6255 8.6715 113.2211 46.4846 0.0000 171.7078 95 Q 5.3160 8.5018 117.5471 54.8904 32.6540 173.4529 96 Y 4.8648 9.1400 123.2860 56.8790 40.6751 174.1378 97 V 4.1837 8.4523 126.7392 61.2029 34.1114 175.5018 98 G 4.0409 8.0521 118.7949 44.3649 0.0000 170.8494 99 G 3.7562 8.7743 105.0009 44.0215 0.0000 172.6624 100 A 4.1123 8.5738 120.2797 54.7133 18.6556 178.3087 101 E 4.6208 7.7097 113.8161 54.6373 29.1663 175.4128 102 A 4.5312 7.7055 121.7216 52.3087 20.0054 177.7814 103 R 5.2344 9.0444 117.8613 55.1263 35.6596 174.3608 104 I 4.9057 8.9805 122.4436 59.9049 39.9375 174.3661 105 N 5.3830 9.1871 126.1637 51.9896 40.2975 174.6235 106 T 5.3330 9.0599 113.5291 60.0739 72.8956 172.8068 107 Q 5.2761 8.9624 120.9201 54.0101 32.5738 174.6948 108 W 5.5213 8.4325 117.6636 54.8662 32.4001 173.7446 109 L 5.1550 8.8087 120.5502 52.9821 44.7470 175.1998 110 L 4.9517 9.3126 126.9873 53.8204 44.1080 174.8778 111 T 4.9694 8.7378 124.0960 62.1134 70.6134 174.0572 112 S 5.0566 8.7999 123.1410 56.5536 64.8237 174.5537 113 G 3.8718 8.8384 112.2467 46.8215 0.0000 172.9498 114 T 4.8087 8.3116 113.6489 59.4430 72.4931 173.3168 115 T 4.1481 8.0674 111.8482 61.0979 69.8828 175.3551 116 E 4.0031 8.7604 121.2285 59.5243 29.1508 179.4741 117 A 4.2025 8.0995 119.4668 54.2870 18.7417 178.1670 118 N 4.7992 7.7511 112.6231 53.2760 38.9945 176.7231 119 A 4.1637 8.2503 126.7027 54.1274 18.1648 180.1492 120 W 4.2898 8.4389 114.0480 58.6960 28.2239 176.8410 121 K 4.0128 6.6589 117.2530 56.0834 32.1003 177.4023 122 S 4.1821 7.8336 116.5340 60.8993 63.4840 173.4443 123 T 5.0492 7.4848 117.0493 61.7408 71.1640 173.5159 124 L 4.6865 8.9352 127.1683 53.6496 43.7474 176.1863 125 V 4.3742 7.7321 120.6248 60.3531 34.4918 175.2618 126 G 3.1904 6.2338 107.4056 45.8164 0.0000 171.3385 127 H 5.4348 8.0757 114.0480 54.2213 31.8262 172.3899 128 D 4.8771 9.3108 118.7387 53.6716 45.2797 173.7440 129 T 5.2463 8.5464 120.9542 61.8986 71.5011 172.9489 130 F 5.5047 9.5053 125.2229 56.0925 42.0445 174.7759 131 T 5.5134 9.3114 111.8628 60.1206 72.2601 174.7527 132 K 3.6936 8.7677 119.9482 57.3319 32.6819 177.8110 133 V 4.0094 7.6278 116.7181 61.3734 32.1692 175.2558 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 15 A 8.25 4.18 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 16 G 8.04 4.01 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 17 I 8.01 4.02 1.35 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.25 0.58 0.00 0.00 18 T 7.70 3.94 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 19 G 7.84 3.53 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 0.00 0.00 0.00 20 T 7.68 4.68 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 0.63 0.00 0.00 21 W 8.12 4.74 0.00 1.78 2.61 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 22 Y 9.13 5.37 0.00 2.99 2.81 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 23 N 9.07 5.26 0.00 2.90 2.41 0.00 0.00 6.85 7.31 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 24 Q 8.55 4.56 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.23 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 25 L 8.48 4.64 0.00 1.83 1.74 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.77 4.01 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 27 S 8.67 5.12 0.00 4.17 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 28 T 8.69 5.07 4.17 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 0.00 0.00 0.00 0.97 0.00 0.00 29 F 8.64 5.06 0.00 3.00 2.54 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 30 I 8.86 4.97 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.87 0.00 0.00 31 V 8.87 4.92 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 0.86 0.00 0.00 0.69 0.00 0.00 32 T 8.94 4.72 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 1.18 0.00 0.00 33 A 8.75 4.41 0.58 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 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.37 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 0.00 0.00 0.00 35 A 8.59 4.07 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 0.00 0.00 0.00 0.00 0.00 36 D 8.15 4.56 0.00 2.77 2.77 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 37 G 8.22 3.26 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 38 A 8.15 4.77 1.34 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 0.00 0.00 0.00 39 L 8.85 5.32 0.00 1.59 1.43 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.02 4.87 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 1.21 0.00 0.00 41 G 7.43 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 42 T 7.99 5.20 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 1.32 0.00 0.00 43 F 9.48 5.25 0.00 2.95 2.96 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 44 E 9.11 5.87 0.00 2.08 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 0.00 2.33 2.10 0.00 45 S 9.10 4.67 0.00 3.98 4.01 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 *49 N 7.88 4.44 0.00 2.97 2.99 0.00 0.00 5.86 6.99 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 50 A 8.28 3.93 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 51 E 7.76 3.91 0.00 1.83 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 0.00 2.16 1.83 0.00 52 S 8.15 4.92 0.00 4.05 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 53 R 7.61 5.31 0.00 1.81 1.85 0.00 3.11 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 54 Y 9.12 4.90 0.00 2.92 2.77 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 55 V 8.64 4.33 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.80 5.14 0.00 1.82 1.63 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.41 4.95 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 58 G 8.65 4.63 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 0.00 0.00 0.00 59 R 8.67 5.55 0.00 1.75 1.78 0.00 3.27 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 60 Y 8.64 5.28 0.00 2.95 2.82 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 0.00 0.00 0.00 61 D 9.10 4.31 0.00 2.80 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 62 S 8.16 4.32 0.00 3.89 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.69 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 64 P 0.00 4.77 0.00 2.27 2.18 0.00 3.44 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.37 4.28 1.33 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 66 T 8.29 4.66 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 1.24 0.00 0.00 67 D 8.53 4.76 0.00 2.78 2.78 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 68 G 8.39 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 69 S 7.91 4.32 0.00 3.95 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 70 G 8.34 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 71 T 8.88 4.80 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 1.43 0.00 0.00 72 A 8.67 4.81 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 73 L 8.93 5.00 0.00 1.97 1.94 1.19 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.18 4.61 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 0.00 75 W 8.52 5.70 0.00 3.38 3.12 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 0.00 0.00 0.00 0.00 76 T 9.15 5.16 4.25 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 1.14 0.00 0.00 77 V 8.63 4.57 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 -0.35 0.00 0.00 0.80 0.00 0.00 78 A 8.33 4.36 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.52 4.18 0.00 3.30 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 80 K 7.86 5.19 0.00 1.91 1.72 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.44 7.81 81 N 8.97 5.00 0.00 2.83 2.73 0.00 0.00 6.67 6.54 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 82 N 8.51 4.13 0.00 1.83 2.31 0.00 0.00 6.60 7.46 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 83 Y 8.02 4.69 0.00 3.02 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 84 R 7.67 4.52 0.00 1.86 2.09 0.00 2.95 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 85 N 8.46 5.06 0.00 2.67 2.65 0.00 0.00 6.94 7.96 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 86 A 9.05 4.27 1.28 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 0.00 0.00 87 H 8.56 4.17 0.00 3.33 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.42 5.23 0.00 4.00 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 89 A 9.11 4.94 1.15 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 0.00 0.00 90 T 8.51 4.87 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.58 0.00 0.00 91 T 8.40 4.87 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 1.13 0.00 0.00 92 W 8.68 4.98 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.71 4.98 0.00 3.80 3.65 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 94 G 8.67 4.63 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 0.00 0.00 0.00 95 Q 8.50 5.32 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.14 4.86 0.00 3.03 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 97 V 8.45 4.18 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 0.92 0.00 0.00 0.91 0.00 0.00 98 G 8.05 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 99 G 8.77 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 0.00 0.00 0.00 100 A 8.57 4.11 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 E 7.71 4.62 0.00 1.96 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 2.22 0.00 102 A 7.71 4.53 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.04 5.23 0.00 1.86 2.07 0.00 3.29 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 104 I 8.98 4.91 1.82 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.25 1.11 0.00 0.00 105 N 9.19 5.38 0.00 2.72 2.82 0.00 0.00 6.10 6.57 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 0.00 106 T 9.06 5.33 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 107 Q 8.96 5.28 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 108 W 8.43 5.52 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 5.16 0.00 1.52 1.54 0.87 0.28 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 0.00 110 L 9.31 4.95 0.00 1.61 1.73 0.92 0.37 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 0.00 111 T 8.74 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 1.19 0.00 0.00 112 S 8.80 5.06 0.00 3.67 3.75 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 0.00 113 G 8.84 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 0.00 0.00 0.00 114 T 8.31 4.81 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 1.20 0.00 0.00 115 T 8.07 4.15 4.25 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 1.21 0.00 0.00 116 E 8.76 4.00 0.00 2.02 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 2.41 2.34 0.00 117 A 8.10 4.20 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 0.00 118 N 7.75 4.80 0.00 2.71 2.69 0.00 0.00 6.74 7.73 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 0.00 119 A 8.25 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.44 4.29 0.00 3.58 3.26 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 0.00 121 K 6.66 4.01 0.00 1.13 0.74 0.00 1.19 0.00 0.00 1.06 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.76 7.81 122 S 7.83 4.18 0.00 4.15 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 0.00 123 T 7.48 5.05 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 1.23 0.00 0.00 124 L 8.94 4.69 0.00 1.82 1.73 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.73 4.37 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 0.54 0.00 0.00 0.68 0.00 0.00 126 G 6.23 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.08 5.43 0.00 3.18 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.31 4.88 0.00 3.25 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 0.00 129 T 8.55 5.25 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 1.37 0.00 0.00 130 F 9.51 5.50 0.00 3.01 3.18 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 0.00 131 T 9.31 5.51 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 1.38 0.00 0.00 132 K 8.77 3.69 0.00 1.53 1.57 0.00 1.38 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.56 7.81 133 V 7.63 4.01 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 0.66 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.