NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2856 8.2993 119.9989 56.5028 33.3200 176.3180 2 E 4.0011 8.6479 117.1432 54.1412 30.3173 175.5699 3 T 4.3503 8.4883 112.6034 60.7388 72.5271 176.7296 4 A 4.0304 8.4471 122.2930 55.2046 18.4207 179.7474 5 A 4.1185 7.9798 118.6600 55.3101 18.5956 179.5908 6 A 4.0196 8.0326 119.2846 55.1451 18.3615 179.7668 7 K 4.0476 8.5589 118.6827 59.4954 32.1748 178.8336 8 F 4.0718 8.3641 121.0219 61.3749 39.3691 176.9492 9 E 4.0420 8.2948 117.7615 59.4167 29.0345 179.4193 10 R 3.8833 7.8788 117.6507 59.6276 30.2909 178.3068 11 Q 3.9390 8.0467 116.7187 58.0009 29.0450 176.3133 12 H 4.5840 8.0345 114.3121 53.9999 31.4702 173.3315 13 M 4.6739 7.8634 118.6630 53.8402 33.2634 176.9461 14 D 4.8671 8.5929 121.8761 53.9228 42.0857 175.8784 15 S 4.3792 8.2847 116.0046 60.4070 63.6492 176.5910 16 S 4.3517 7.8676 115.8183 58.7488 61.8733 175.2654 *18 S 4.4277 8.1724 116.9035 58.1734 64.4332 174.5009 19 A 4.2446 7.3410 118.1542 50.6928 20.3964 174.9933 20 A 2.9782 7.3665 123.3599 52.1001 17.9295 176.8431 *22 S 4.2901 7.9219 112.3355 58.0748 63.9462 174.5165 23 S 4.3809 8.5762 112.9821 59.7685 63.0907 173.9676 24 N 4.8127 7.9299 119.3992 53.5377 39.6347 175.1588 25 Y 4.0174 7.9982 118.9654 62.1376 38.6804 177.5935 26 C 4.1684 8.5920 117.0848 59.9951 38.5406 175.8803 27 N 4.3832 8.1823 117.6183 56.4437 38.1028 177.2864 28 Q 4.1251 7.8013 118.7632 58.9575 28.9460 178.4656 29 M 3.9081 7.7263 121.3395 58.0608 31.7853 178.7027 30 M 4.0047 8.0362 119.1144 58.0303 31.9394 178.8968 31 K 4.0300 7.7170 121.2774 58.9181 32.5038 179.1713 32 S 4.1378 8.1755 114.5442 60.9789 62.4636 175.4910 33 R 4.4739 7.7831 119.5546 54.9199 30.1300 175.7467 34 N 4.2125 7.9578 114.7588 54.6005 36.8858 174.8191 35 L 4.5549 8.1688 116.1130 55.0523 41.9818 177.6365 36 T 5.5781 7.3600 108.7247 60.4739 69.2497 176.6491 37 K 4.2044 8.3127 121.7185 60.5779 32.6383 178.4063 38 D 4.4674 7.9882 117.8652 56.6177 41.5252 176.2141 39 R 3.7252 7.2774 113.2522 55.3635 31.8106 174.0650 40 C 4.8737 8.4890 115.9631 55.2792 39.9073 173.9202 41 K 4.0675 8.2485 126.1695 56.1061 32.2210 174.2925 42 P 4.5836 0.0000 0.0000 65.5549 31.7184 176.4319 43 V 5.1500 7.4969 109.0595 60.1988 35.9973 173.7137 44 N 4.6507 8.6253 119.0968 53.2655 42.8124 173.2283 45 T 4.8874 7.6501 118.3267 61.6649 72.8403 172.6986 46 F 4.8306 8.9867 124.5256 55.6100 42.1529 174.5322 47 V 4.4590 9.0010 123.5561 61.2657 33.0931 175.7558 48 H 5.5403 8.7253 128.5677 53.6845 26.1717 173.7027 49 E 4.7921 7.6985 117.8232 53.3294 34.6114 176.4966 50 S 4.3813 8.3856 115.2500 58.2151 65.0839 174.9825 51 L 4.0107 8.5383 124.2132 58.3538 41.8688 179.1504 52 A 4.0258 7.9930 120.2190 55.3839 18.1620 179.2115 53 D 4.3518 7.8008 115.8326 57.4302 41.1429 178.9118 54 V 3.8103 7.8363 118.5568 66.0700 31.6959 178.2054 55 Q 3.9419 8.6351 118.0146 58.6951 28.4989 178.4647 56 A 4.0820 8.1245 121.5712 54.5092 18.2594 179.6393 57 V 3.5586 7.6307 117.0815 65.9307 31.3078 176.9221 58 C 3.7781 7.7257 114.4601 57.9684 39.9028 174.1049 59 S 4.6616 7.5394 114.0561 57.9334 63.8975 174.8295 60 Q 4.4895 7.5862 122.9679 55.9402 27.4837 177.2623 61 K 4.1462 7.6088 129.9716 57.0967 32.9507 175.8119 62 N 4.5380 8.7890 127.6624 53.6912 39.3133 174.3332 63 V 4.5924 8.4212 118.4688 59.1613 36.7818 174.8179 64 A 4.1430 8.3749 124.9829 52.2108 19.0758 178.5825 65 C 4.6959 8.8416 119.8280 56.1192 41.1386 175.3029 66 K 3.6953 8.9476 122.1788 59.4125 31.6653 177.9633 67 N 4.5908 8.0863 113.5635 52.7025 37.5670 175.7891 68 G 3.9542 8.1611 108.6828 45.5791 0.0000 174.3716 69 Q 4.1946 8.4270 119.1812 56.2548 29.2121 176.6266 70 T 4.3928 8.2603 108.6097 61.7257 69.5165 174.0108 71 N 4.9195 7.8230 119.7033 53.9363 38.5009 175.0354 72 C 5.3561 7.4080 115.8554 56.7394 44.6320 172.8866 73 Y 5.1547 8.9937 118.8561 56.3589 41.9790 173.9092 74 Q 5.0987 8.9466 125.3677 54.0404 31.4107 174.8866 75 S 4.4220 8.6467 121.7182 58.6236 63.1791 174.3717 76 Y 4.4462 9.2075 121.5899 60.0910 37.9563 176.2504 77 S 4.9505 7.8053 112.4531 56.0199 65.8085 173.6132 78 T 4.1760 8.0654 111.3272 62.1057 69.8164 173.4216 79 M 5.0357 8.9247 121.6341 53.4150 37.0053 174.6943 80 S 4.8437 9.4302 117.6278 58.2956 63.5079 173.0765 81 I 5.1279 8.9815 120.3401 59.4648 41.6858 174.2723 82 T 4.9726 8.9091 119.5576 61.9162 71.8362 172.5174 83 D 5.0467 9.4434 127.2875 53.3621 43.2574 174.2252 84 C 5.5477 9.5032 123.6914 55.2768 39.8695 172.7621 85 R 5.2671 8.6420 124.1006 54.0604 32.6338 174.2868 86 E 4.1383 9.1845 128.6077 56.5534 30.6342 176.6722 87 T 4.2449 8.3827 117.2973 60.7116 70.7078 176.0450 88 G 3.6705 8.6085 110.4906 48.4794 0.0000 175.2268 89 S 4.2172 7.8790 112.2045 59.3002 63.3332 173.9856 90 S 4.2316 7.3589 116.2923 57.8841 62.6557 173.3936 91 K 4.5352 8.5651 126.3579 54.4895 35.4762 175.2934 92 Y 4.3710 8.8199 125.2268 57.6706 39.0484 173.9716 93 P 3.4130 0.0000 0.0000 62.8547 31.7598 176.9344 94 N 4.6521 7.8681 119.6477 52.3201 37.0956 171.7542 95 C 4.6099 8.1859 117.1691 56.0883 42.2209 172.9279 96 A 5.1263 8.8181 126.8765 50.3933 21.1447 174.9174 97 Y 5.2110 9.3569 118.8905 56.0563 42.4036 174.8800 98 K 4.5148 9.2912 123.8450 55.3990 34.0213 175.2323 99 T 4.8895 8.6081 124.8097 63.0345 69.8073 174.4153 100 T 4.5581 8.7995 123.1784 61.7673 71.7314 173.1823 101 Q 4.7890 8.7545 127.7391 55.7374 30.5612 174.1580 102 A 4.5234 8.6048 124.9747 51.5451 23.7073 175.0544 103 N 5.3283 8.7232 115.6680 51.7023 40.7929 174.2522 104 K 4.7685 8.7389 122.0744 54.5427 37.5541 175.6571 105 H 4.7988 9.2124 119.3420 55.9283 29.8871 174.9380 106 I 4.8847 8.6097 115.1669 59.2673 40.9448 174.4179 107 I 4.8831 8.1893 123.8998 59.7338 40.3494 175.0608 108 V 4.7617 8.6518 119.4735 59.3462 35.9278 174.4356 109 A 5.0919 8.6774 124.7387 50.9825 20.7826 175.7066 110 C 5.1836 8.6301 118.4287 55.4761 39.7465 173.0583 111 E 4.6441 8.6325 119.1709 56.8102 34.6796 175.8914 112 G 4.0681 9.1548 109.2742 44.9963 0.0000 171.8436 113 N 4.9715 8.2731 116.1336 50.6636 40.4036 172.2494 114 P 4.3267 0.0000 0.0000 62.6378 31.9926 175.7547 115 Y 4.9232 8.3487 121.5816 57.4573 38.9211 174.7372 116 V 4.4514 8.2134 119.4940 58.3909 36.6726 173.5035 117 P 4.4833 0.0000 0.0000 62.9269 31.2329 176.9224 118 V 4.5081 8.4242 115.1502 61.0076 33.9366 175.1149 119 H 4.9620 7.8706 119.4047 55.1072 33.3811 171.8116 120 F 4.6826 8.7713 128.2086 57.3895 39.4211 174.4778 121 D 4.5316 8.4400 127.0175 56.3188 41.9625 175.6069 122 A 4.5643 6.5634 117.4522 51.5053 22.6971 174.7878 123 S 5.0390 8.7263 112.8824 56.8842 65.8871 174.7635 124 V 4.1427 8.8861 116.8669 61.4387 32.3550 175.4795 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 K 8.30 4.29 0.00 1.89 1.61 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.65 4.00 0.00 2.20 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 2.29 2.38 0.00 3 T 8.49 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 1.23 0.00 0.00 4 A 8.45 4.03 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 5 A 7.98 4.12 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 6 A 8.03 4.02 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 7 K 8.56 4.05 0.00 1.94 2.05 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 8 F 8.36 4.07 0.00 3.20 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 9 E 8.29 4.04 0.00 2.32 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 2.52 2.69 0.00 10 R 7.88 3.88 0.00 1.82 2.09 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 8.05 3.94 0.00 1.56 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 12 H 8.03 4.58 0.00 1.93 2.61 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.86 4.67 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 14 D 8.59 4.87 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.38 0.00 3.94 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 16 S 7.87 4.35 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 *18 S 8.17 4.43 0.00 3.97 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 19 A 7.34 4.24 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 20 A 7.37 2.98 0.20 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 0.00 0.00 *22 S 7.92 4.29 0.00 4.06 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 23 S 8.58 4.38 0.00 4.03 4.05 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 0.00 0.00 0.00 24 N 7.93 4.81 0.00 2.72 2.81 0.00 0.00 6.71 8.31 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 25 Y 8.00 4.02 0.00 3.24 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 26 C 8.59 4.17 0.00 3.13 3.07 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 27 N 8.18 4.38 0.00 2.93 2.91 0.00 0.00 7.17 7.74 0.00 0.00 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 Q 7.80 4.13 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 29 M 7.73 3.91 0.00 0.85 1.24 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.53 0.00 30 M 8.04 4.00 0.00 1.68 1.87 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 2.41 0.00 31 K 7.72 4.03 0.00 1.95 1.90 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.30 7.81 32 S 8.18 4.14 0.00 4.00 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 33 R 7.78 4.47 0.00 1.94 2.11 0.00 3.64 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 34 N 7.96 4.21 0.00 2.86 2.90 0.00 0.00 6.85 7.39 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 35 L 8.17 4.55 0.00 1.79 1.62 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.36 5.58 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 1.42 0.00 0.00 37 K 8.31 4.20 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.49 1.49 7.81 38 D 7.99 4.47 0.00 2.60 2.64 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 39 R 7.28 3.73 0.00 1.76 1.80 0.00 2.89 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 40 C 8.49 4.87 0.00 3.08 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 41 K 8.25 4.07 0.00 1.95 1.80 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.43 7.81 42 P 0.00 4.58 0.00 2.15 2.14 0.00 3.63 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 2.17 0.00 43 V 7.50 5.15 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 0.74 0.00 0.00 0.96 0.00 0.00 44 N 8.63 4.65 0.00 2.62 2.31 0.00 0.00 7.22 6.77 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 45 T 7.65 4.89 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 0.83 0.00 0.00 46 F 8.99 4.83 0.00 2.98 2.86 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 0.00 0.00 0.00 47 V 9.00 4.46 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 1.05 0.00 0.00 1.00 0.00 0.00 48 H 8.73 5.54 0.00 3.14 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.70 4.79 0.00 1.95 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 2.26 2.28 0.00 50 S 8.39 4.38 0.00 4.07 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 51 L 8.54 4.01 0.00 1.83 1.75 1.01 1.20 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 52 A 7.99 4.03 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 53 D 7.80 4.35 0.00 2.86 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 54 V 7.84 3.81 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 1.24 0.00 0.00 1.12 0.00 0.00 55 Q 8.64 3.94 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 56 A 8.12 4.08 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 57 V 7.63 3.56 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 1.11 0.00 0.00 1.02 0.00 0.00 58 C 7.73 3.78 0.00 2.90 2.76 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 59 S 7.54 4.66 0.00 3.95 3.86 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 0.00 0.00 0.00 60 Q 7.59 4.49 0.00 1.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 61 K 7.61 4.15 0.00 1.54 1.64 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 62 N 8.79 4.54 0.00 2.79 2.67 0.00 0.00 7.00 7.71 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 63 V 8.42 4.59 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 0.71 0.00 0.00 0.80 0.00 0.00 64 A 8.37 4.14 1.19 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 65 C 8.84 4.70 0.00 3.12 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 66 K 8.95 3.70 0.00 1.73 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 67 N 8.09 4.59 0.00 2.81 2.89 0.00 0.00 6.28 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 68 G 8.16 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 69 Q 8.43 4.19 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 T 8.26 4.39 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 1.18 0.00 0.00 71 N 7.82 4.92 0.00 3.10 3.18 0.00 0.00 6.08 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 72 C 7.41 5.36 0.00 3.00 2.87 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 73 Y 8.99 5.15 0.00 2.77 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 74 Q 8.95 5.10 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 75 S 8.65 4.42 0.00 3.96 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 76 Y 9.21 4.45 0.00 3.05 3.02 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 77 S 7.81 4.95 0.00 3.98 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 78 T 8.07 4.18 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 1.01 0.00 0.00 79 M 8.92 5.04 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.43 4.84 0.00 3.91 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 81 I 8.98 5.13 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.98 0.00 0.00 82 T 8.91 4.97 4.36 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 1.29 0.00 0.00 83 D 9.44 5.05 0.00 2.77 2.56 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 84 C 9.50 5.55 0.00 2.86 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 85 R 8.64 5.27 0.00 1.91 1.81 0.00 3.13 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 1.55 1.58 0.00 86 E 9.18 4.14 0.00 1.86 1.76 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 2.13 1.91 0.00 87 T 8.38 4.24 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 1.20 0.00 0.00 88 G 8.61 3.67 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 0.00 0.00 0.00 89 S 7.88 4.22 0.00 3.97 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 90 S 7.36 4.23 0.00 3.89 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 91 K 8.57 4.54 0.00 1.75 1.65 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.50 7.81 92 Y 8.82 4.37 0.00 2.89 2.87 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 93 P 0.00 3.41 0.00 1.79 1.17 0.00 3.65 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 94 N 7.87 4.65 0.00 2.90 2.76 0.00 0.00 7.02 7.21 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 95 C 8.19 4.61 0.00 3.17 2.99 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 96 A 8.82 5.13 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 97 Y 9.36 5.21 0.00 2.80 2.87 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 98 K 9.29 4.51 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 T 8.61 4.89 4.32 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 1.30 0.00 0.00 100 T 8.80 4.56 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 1.23 0.00 0.00 101 Q 8.75 4.79 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 102 A 8.60 4.52 1.23 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 0.00 0.00 0.00 103 N 8.72 5.33 0.00 2.57 2.75 0.00 0.00 6.65 7.61 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 0.00 104 K 8.74 4.77 0.00 1.74 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 105 H 9.21 4.80 0.00 3.17 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.61 4.88 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 1.13 0.00 0.00 107 I 8.19 4.88 1.74 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 1.12 0.69 0.78 0.00 0.00 108 V 8.65 4.76 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 0.70 0.00 0.00 0.82 0.00 0.00 109 A 8.68 5.09 1.24 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 0.00 0.00 110 C 8.63 5.18 0.00 1.81 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 0.00 0.00 0.00 111 E 8.63 4.64 0.00 1.85 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 2.28 2.22 0.00 112 G 9.15 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 0.00 113 N 8.27 4.97 0.00 2.63 2.71 0.00 0.00 6.90 7.69 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 0.00 114 P 0.00 4.33 0.00 2.23 2.05 0.00 3.83 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 1.99 1.96 0.00 115 Y 8.35 4.92 0.00 2.80 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 0.00 116 V 8.21 4.45 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 0.74 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.48 0.00 0.49 1.07 0.00 3.33 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 118 V 8.42 4.51 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 0.60 0.00 0.00 0.95 0.00 0.00 119 H 7.87 4.96 0.00 3.28 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.77 4.68 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.53 0.00 2.61 2.56 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 0.00 122 A 6.56 4.56 1.16 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 0.00 123 S 8.73 5.04 0.00 3.95 4.09 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 0.00 0.00 0.00 124 V 8.89 4.14 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 0.69 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.