NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.6551 8.2033 115.6740 58.0869 31.5670 175.3723 4 H 4.1226 8.3019 120.8033 59.2864 28.2685 174.1722 5 E 4.0377 9.0064 121.5959 59.3082 29.7381 178.8257 6 L 4.0342 7.7964 118.6072 57.8101 41.7135 179.3548 7 S 4.1023 8.2887 114.8624 61.6003 62.8797 176.2792 8 A 3.9979 8.0604 123.2230 55.5204 18.1059 179.5011 9 L 3.9179 7.9051 118.3773 58.2654 42.1350 179.1721 10 R 3.9392 8.2997 119.0659 59.1914 29.8830 178.6117 11 I 3.6705 8.1112 119.9788 64.3152 37.1796 178.1566 12 A 3.9954 7.8964 121.4435 55.4113 18.2027 179.8165 13 I 3.8346 7.8848 118.3697 64.1683 37.0303 179.0282 14 G 3.5576 8.1825 106.8935 47.7717 0.0000 175.3361 15 E 3.9259 8.4948 122.6418 58.9378 29.4256 178.7100 16 L 4.0272 7.9202 119.0846 57.1745 42.1490 177.8664 17 L 4.4810 7.3776 116.0025 53.0115 42.7597 175.9181 18 E 3.7999 8.1216 117.6437 57.2637 27.5462 175.2926 19 K 4.1933 7.9937 116.4136 55.8859 33.3153 177.5038 20 E 4.0299 8.6096 122.2218 55.8749 30.6119 177.3002 21 A 3.9818 8.9710 127.8746 56.0886 18.3543 179.5428 22 H 4.1677 8.3264 116.1567 59.4036 29.6091 177.1276 23 D 4.4525 8.1845 120.1151 56.1897 40.8971 177.0391 24 L 4.8075 7.6070 117.3133 53.5964 42.2609 177.7036 25 L 3.8780 7.5057 121.6235 59.3015 41.9354 178.9938 26 H 4.2366 8.2077 115.1654 58.4655 28.3432 177.5594 27 E 4.1067 8.1419 120.4001 59.1492 29.4785 178.9690 28 R 4.0544 8.0083 117.7246 58.6772 29.9023 178.8599 29 E 4.0071 7.7647 117.8127 59.3280 29.5991 178.6733 30 E 4.1400 7.9098 117.4207 59.2318 29.7925 178.8798 31 L 4.0169 7.9101 120.3370 57.7974 42.2062 178.5630 32 A 3.9532 7.9648 121.3314 54.9446 18.0972 178.0018 33 P 4.2541 0.0000 0.0000 65.1886 31.7913 177.9120 34 V 4.0610 7.6833 117.2639 62.1390 31.7123 177.8006 35 L 4.2624 7.4224 119.3180 57.5777 41.4040 179.2446 36 G 3.7285 7.9024 104.7889 48.0706 0.0000 175.4910 37 Q 4.4364 7.9638 118.5646 56.2948 29.5795 176.6111 38 R 4.5596 7.7180 118.8016 52.6806 31.3703 173.8426 39 P 4.2709 0.0000 0.0000 65.0928 31.4406 177.9417 40 E 3.9734 8.1120 116.2946 59.3518 29.4316 179.0824 41 L 4.0015 7.6503 119.8307 57.3349 41.5628 179.4006 42 K 3.9163 7.8309 119.1128 59.6539 32.0748 178.9760 43 R 3.9465 7.9092 117.1571 58.9480 30.0928 178.6635 44 L 4.0547 8.3019 120.3848 58.2574 42.0058 178.9496 45 A 4.2548 8.0530 119.2411 54.4003 18.3325 178.3616 46 E 4.4227 7.6091 113.6559 54.9721 30.5176 176.2385 47 A 4.0934 7.2914 122.6986 52.6792 18.8502 177.8949 48 K 4.4965 8.6055 119.5950 56.2471 34.3843 176.9623 49 T 4.7217 7.3835 108.8786 59.0298 72.8098 174.6978 50 L 3.9478 8.3062 122.3418 57.6198 41.7084 177.8520 51 P 4.1916 0.0000 0.0000 65.8060 31.3424 178.5262 52 A 4.0064 7.9159 119.0685 54.7893 18.1938 179.5542 53 L 3.8721 7.9418 119.0366 58.4470 42.3545 178.9927 54 E 3.9593 8.5182 118.9712 59.2702 29.4531 178.9153 55 E 3.8683 8.5416 119.4171 59.4394 29.7571 178.7778 56 A 4.0132 8.0785 120.6451 55.0485 18.3544 179.3853 57 L 3.9205 7.9566 118.9446 58.3529 42.1956 179.3769 58 R 3.9407 8.2583 118.2475 59.1652 29.8179 178.8819 59 E 3.9316 8.1615 118.0199 59.4893 29.5282 179.3128 60 A 4.0333 8.0208 120.6831 55.1296 18.3685 179.7000 61 L 3.9837 8.0597 117.6466 57.4587 41.5128 179.4635 62 L 3.8762 7.6547 120.1233 58.3465 42.0408 178.3553 63 H 4.2313 7.8625 119.3271 58.6822 29.7197 176.8748 64 L 3.8246 8.0329 122.0167 57.9648 41.9863 178.4743 65 E 3.8714 8.4903 119.6803 59.2534 29.0568 178.6020 66 E 3.8431 8.2864 118.7850 59.4177 29.5587 179.1300 67 R 3.5655 7.9762 118.7400 59.5181 29.7546 178.3902 68 A 4.1413 7.8312 118.7990 54.9529 18.3888 179.0374 69 A 4.1495 7.5872 118.2476 54.8608 18.6744 179.4032 70 Q 4.1482 7.8166 115.9889 57.3758 30.4012 176.0258 71 E 5.5358 7.8683 118.5270 52.8457 29.4614 174.5084 72 P 4.4401 0.0000 0.0000 65.0573 32.3542 178.0569 73 E 4.0402 8.2237 115.9692 57.9204 30.5123 175.4984 74 E 4.5385 8.2767 121.5081 54.1003 29.0095 174.5963 75 P 4.5397 0.0000 0.0000 64.5841 31.3975 177.3712 76 Y 3.9405 8.3894 120.8628 60.7084 38.5805 177.8638 77 W 4.4858 7.3826 118.5602 60.0366 29.1402 178.7377 78 R 4.1020 8.1371 117.4327 58.7443 29.6770 179.0356 79 G 3.5599 7.9850 105.9736 47.2713 0.0000 175.7587 80 L 3.8368 7.9061 123.0638 57.6841 41.9958 178.8836 81 L 3.9381 8.1051 119.2232 57.9109 41.6719 179.2681 82 L 3.9045 7.7321 119.4376 58.1028 41.7312 178.9448 83 A 3.9669 7.6743 119.6633 55.1229 18.4349 179.5073 84 V 3.6886 8.0659 116.1655 66.1585 31.9130 177.8591 85 E 4.1590 8.5350 118.4140 58.9967 29.3156 179.3366 86 A 4.0112 7.7601 117.6947 52.8060 18.0543 178.6467 *88 E 4.1772 8.2140 123.3859 57.6111 31.6915 178.1293 89 G 3.6785 8.1564 105.3299 48.0970 0.0000 175.8879 90 R 4.0127 7.9682 120.0602 58.6158 30.0539 178.9216 91 L 3.9554 7.7369 119.9378 58.0979 42.1362 179.0026 92 K 4.6242 8.7110 119.9629 58.8471 31.9873 179.2094 93 A 3.9663 7.9154 121.1836 55.0378 18.3227 179.4123 94 L 3.9003 8.0126 118.9496 58.2763 42.1483 179.2222 95 R 3.8707 8.1715 118.4660 59.3678 30.0391 178.3218 96 A 4.1216 8.2730 120.7587 55.1162 18.3072 179.5676 97 E 3.9132 8.2155 116.8608 59.4367 29.5649 179.3310 98 A 4.0082 8.0292 120.8243 55.0499 18.3858 179.0971 99 E 3.8607 8.6397 118.0139 59.5619 29.6329 178.8109 100 A 4.0126 8.4554 121.0304 55.1442 18.5213 179.2830 101 L 3.8858 8.0933 118.6899 58.4313 41.9522 178.2513 102 Y 4.0787 8.1792 118.4880 61.0803 39.0400 177.9677 103 Q 4.0691 8.5137 118.7169 59.2222 29.0232 178.7995 104 D 4.4509 8.4216 119.6583 56.9651 40.6582 178.8739 105 L 3.9744 7.6326 119.8090 57.5459 41.6154 178.8969 106 D 4.1826 7.9062 117.6576 57.2277 41.2366 178.0765 107 A 3.9353 7.8742 120.7088 55.0913 18.3883 178.8123 108 L 3.8699 7.7343 118.6877 58.7938 41.9222 178.6055 109 H 4.2552 8.1075 117.6063 59.5136 29.6486 177.4592 110 G 3.6082 7.8938 106.8599 47.6458 0.0000 175.6998 111 R 3.9179 8.4427 121.4632 59.2519 29.9858 178.5842 112 L 4.1794 8.3849 119.2601 57.9704 41.3832 178.8750 113 H 4.3232 7.9070 117.1235 59.6258 29.9203 177.2761 114 R 3.9965 7.5344 118.3300 59.0693 30.0094 178.5325 115 L 3.9543 7.5582 116.4064 55.5462 42.9395 177.1510 116 F 5.0220 7.3504 116.9749 55.0733 39.7956 172.8850 117 P 4.4763 0.0000 0.0000 63.0974 31.0904 176.9955 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 C 8.20 4.66 0.00 3.19 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 4 H 8.30 4.12 0.00 3.35 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.01 4.04 0.00 2.09 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 2.42 2.48 0.00 6 L 7.80 4.03 0.00 1.87 1.74 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.29 4.10 0.00 4.08 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 8 A 8.06 4.00 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 9 L 7.91 3.92 0.00 1.90 1.93 0.92 0.87 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 10 R 8.30 3.94 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 I 8.11 3.67 2.07 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 1.46 0.73 0.94 0.00 0.00 12 A 7.90 4.00 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 13 I 7.88 3.83 1.88 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 1.69 1.41 0.91 0.00 0.00 14 G 8.18 3.56 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 15 E 8.49 3.93 0.00 2.20 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 2.37 0.00 16 L 7.92 4.03 0.00 1.77 1.90 0.92 0.87 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 17 L 7.38 4.48 0.00 1.76 1.67 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.12 3.80 0.00 2.08 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 2.26 2.26 0.00 19 K 7.99 4.19 0.00 1.75 1.75 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.52 7.81 20 E 8.61 4.03 0.00 1.98 1.84 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 2.39 2.27 0.00 21 A 8.97 3.98 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 22 H 8.33 4.17 0.00 3.22 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.18 4.45 0.00 2.89 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 24 L 7.61 4.81 0.00 1.70 1.64 0.93 0.37 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 25 L 7.51 3.88 0.00 1.85 1.66 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.21 4.24 0.00 3.26 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.14 4.11 0.00 2.21 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 2.42 2.48 0.00 28 R 8.01 4.05 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 29 E 7.76 4.01 0.00 1.96 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 2.31 2.46 0.00 30 E 7.91 4.14 0.00 2.04 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 2.39 2.61 0.00 31 L 7.91 4.02 0.00 1.93 1.65 0.96 1.10 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 32 A 7.96 3.95 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 33 P 0.00 4.25 0.00 2.23 2.19 0.00 3.75 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 2.05 2.02 0.00 34 V 7.68 4.06 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 0.64 0.00 0.00 0.90 0.00 0.00 35 L 7.42 4.26 0.00 1.76 1.76 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.90 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 37 Q 7.96 4.44 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 38 R 7.72 4.56 0.00 1.86 1.97 0.00 2.86 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 39 P 0.00 4.27 0.00 2.14 2.09 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 40 E 8.11 3.97 0.00 2.14 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 2.40 0.00 41 L 7.65 4.00 0.00 1.83 1.74 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.83 3.92 0.00 1.81 1.97 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.52 7.81 43 R 7.91 3.95 0.00 1.98 1.97 0.00 3.21 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 44 L 8.30 4.05 0.00 1.83 1.89 0.92 0.96 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 45 A 8.05 4.25 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 46 E 7.61 4.42 0.00 1.91 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 2.26 2.29 0.00 47 A 7.29 4.09 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 48 K 8.61 4.50 0.00 1.72 1.84 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.33 7.81 49 T 7.38 4.72 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 1.20 0.00 0.00 50 L 8.31 3.95 0.00 1.68 1.74 0.91 1.01 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 51 P 0.00 4.19 0.00 2.13 2.08 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 52 A 7.92 4.01 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 53 L 7.94 3.87 0.00 1.97 1.81 0.92 0.83 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 54 E 8.52 3.96 0.00 2.10 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 0.00 2.32 2.56 0.00 55 E 8.54 3.87 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 2.30 2.32 0.00 56 A 8.08 4.01 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 57 L 7.96 3.92 0.00 1.89 1.86 0.92 0.77 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 58 R 8.26 3.94 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 59 E 8.16 3.93 0.00 2.28 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 2.32 2.45 0.00 60 A 8.02 4.03 1.37 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 0.00 0.00 0.00 61 L 8.06 3.98 0.00 1.88 1.72 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.65 3.88 0.00 1.75 1.85 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.86 4.23 0.00 3.15 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.03 3.82 0.00 1.94 1.79 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.49 3.87 0.00 2.21 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 2.29 2.37 0.00 66 E 8.29 3.84 0.00 1.99 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 2.26 2.48 0.00 67 R 7.98 3.57 0.00 1.36 1.47 0.00 2.76 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 68 A 7.83 4.14 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.59 4.15 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 70 Q 7.82 4.15 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.25 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 71 E 7.87 5.54 0.00 2.09 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 2.40 2.37 0.00 72 P 0.00 4.44 0.00 2.11 2.15 0.00 3.77 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 2.06 2.25 0.00 73 E 8.22 4.04 0.00 2.14 2.23 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 2.41 2.27 0.00 74 E 8.28 4.54 0.00 2.19 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 1.90 2.03 0.00 75 P 0.00 4.54 0.00 2.31 2.29 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 76 Y 8.39 3.94 0.00 2.88 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 77 W 7.38 4.49 0.00 3.50 3.11 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 78 R 8.14 4.10 0.00 2.02 2.00 0.00 3.18 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 79 G 7.99 3.56 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 80 L 7.91 3.84 0.00 1.31 1.79 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.11 3.94 0.00 1.88 1.71 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.73 3.90 0.00 1.89 1.80 0.92 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.67 3.97 1.36 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 0.00 0.00 84 V 8.07 3.69 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 0.87 0.00 0.00 0.99 0.00 0.00 85 E 8.54 4.16 0.00 2.27 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 0.00 2.33 2.32 0.00 86 A 7.76 4.01 1.37 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 0.00 0.00 0.00 *88 E 8.21 4.18 0.00 2.13 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 0.00 2.27 2.31 0.00 89 G 8.16 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.97 4.01 0.00 1.91 1.99 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 91 L 7.74 3.96 0.00 1.75 1.85 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.71 4.62 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.49 7.81 93 A 7.92 3.97 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 94 L 8.01 3.90 0.00 1.90 1.85 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.17 3.87 0.00 1.92 2.06 0.00 3.13 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 96 A 8.27 4.12 1.37 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 0.00 0.00 0.00 97 E 8.22 3.91 0.00 2.25 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 2.43 2.48 0.00 98 A 8.03 4.01 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 99 E 8.64 3.86 0.00 2.12 2.13 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 2.32 2.43 0.00 100 A 8.46 4.01 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 0.00 101 L 8.09 3.89 0.00 1.91 2.01 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.18 4.08 0.00 3.03 3.20 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 0.00 103 Q 8.51 4.07 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 104 D 8.42 4.45 0.00 2.87 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 0.00 105 L 7.63 3.97 0.00 1.78 1.62 0.91 0.71 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 0.00 106 D 7.91 4.18 0.00 2.56 2.75 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 0.00 107 A 7.87 3.94 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 0.00 108 L 7.73 3.87 0.00 1.94 1.92 0.94 0.92 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 0.00 109 H 8.11 4.26 0.00 3.19 3.48 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.89 3.61 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 0.00 111 R 8.44 3.92 0.00 1.99 2.13 0.00 3.12 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 1.62 1.70 0.00 112 L 8.38 4.18 0.00 2.01 1.90 0.96 1.20 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 0.00 113 H 7.91 4.32 0.00 3.13 3.53 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.53 4.00 0.00 1.84 1.90 0.00 3.17 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 115 L 7.56 3.95 0.00 0.92 0.79 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 F 7.35 5.02 0.00 3.10 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 0.00 117 P 0.00 4.48 0.00 2.05 1.99 0.00 3.72 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 2.00 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.