NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Q 4.1763 8.3401 119.1060 54.5349 30.6057 174.7701 2 A 3.8395 7.4715 112.4589 51.1165 20.3844 170.6311 3 V 3.5837 8.7338 116.1678 63.0665 33.0919 174.5175 4 V 4.5401 8.4044 125.7225 61.5222 33.1898 174.8518 5 T 4.7693 8.9859 124.5670 61.8817 71.6255 173.1507 6 Q 5.3513 8.4321 123.5046 52.5885 33.1088 175.0488 7 E 4.2182 8.8271 120.6537 57.0131 30.5197 178.2792 8 S 4.2723 8.7921 116.6651 61.2859 63.4849 173.4927 9 A 5.1971 7.6798 117.5928 51.0138 22.1853 175.2112 10 L 4.7691 8.6034 117.5975 53.6670 47.0281 175.8757 11 T 4.8312 8.3481 114.8957 61.5755 69.7141 172.0917 12 T 4.9872 8.5446 128.9496 62.1654 70.9253 172.9199 13 S 4.8604 8.5393 110.0951 57.8119 65.2050 172.6062 14 P 4.4114 0.0000 0.0000 64.2359 31.7284 174.9727 15 G 4.2853 9.6532 113.8880 45.4320 0.0000 173.4625 16 E 4.2368 7.6753 120.1845 56.4692 30.6894 176.7420 17 T 4.5693 8.7536 122.2398 63.5587 69.7974 174.4259 18 V 4.4191 8.9838 123.4966 61.6941 35.4340 173.7074 19 T 4.8434 8.4677 123.3416 61.6416 71.3552 173.2552 20 L 4.9002 8.6507 126.0972 53.0378 44.6820 175.8493 21 T 5.1779 9.0363 112.9316 60.1758 72.5215 172.2085 22 C 5.5187 9.0870 122.0968 54.7863 46.4221 172.7894 23 R 5.0667 8.8134 122.1477 54.4266 32.1600 174.9574 24 S 4.6353 8.8275 117.1156 58.3746 62.9609 172.8499 25 S 4.5602 8.5329 116.6355 60.1173 63.7390 176.4366 26 T 4.0843 7.9519 108.5152 64.2372 69.1828 174.4872 27 G 3.9233 6.8271 111.1933 45.9361 0.0000 172.3342 28 A 4.4357 8.7152 126.2640 51.4866 20.4938 177.6843 29 V 4.2207 7.7569 112.7695 60.4065 32.3686 176.1026 30 T 4.5947 8.3043 121.9230 61.4785 71.2516 174.6377 31 T 3.8750 8.1860 107.7504 62.1962 69.9473 176.0808 32 S 4.1968 7.7884 117.2554 59.6640 62.6183 174.0945 33 N 4.7052 7.2096 116.3817 52.2253 38.6659 174.9554 34 Y 4.5045 8.2184 110.0554 57.8543 34.1717 172.2535 35 A 4.3445 8.1269 129.0327 52.6677 20.0739 175.7221 36 N 5.5671 9.1063 117.5768 51.2603 42.7226 173.5860 37 W 5.4199 9.2006 123.1842 55.2271 32.0635 174.5800 38 V 4.8755 8.9207 125.0204 61.0994 34.0526 174.0544 39 Q 4.8142 8.5369 127.1869 54.1268 32.2083 173.7051 40 E 4.7199 8.8132 126.1550 53.3696 32.2596 174.7736 41 K 4.9293 8.2519 125.7357 53.1515 36.2631 173.7962 42 P 4.2252 0.0000 0.0000 65.5025 30.9249 175.9702 43 D 4.7342 8.7647 123.2208 55.0930 38.5335 174.8424 44 H 4.1341 7.9597 111.0530 56.8908 26.1914 175.6214 45 L 4.5885 7.9506 121.2066 53.8085 43.8332 176.0197 46 F 4.9325 9.0055 126.4624 56.3258 40.3295 176.1537 47 T 4.4811 8.8159 115.6717 58.8467 69.5490 172.7480 48 G 3.8978 8.6708 115.8128 47.5506 0.0000 170.0743 49 L 4.7531 9.6435 123.8157 55.3193 44.6361 176.6133 50 I 5.2969 7.8142 117.5184 59.8755 41.5118 174.8612 51 G 4.2937 9.9094 110.5567 45.2299 0.0000 172.8272 52 G 4.0361 9.6645 106.0357 46.5975 0.0000 175.2541 53 T 4.0171 8.9202 122.7196 64.2388 68.1221 174.0374 54 N 5.0138 7.8990 112.6845 52.3762 38.8811 173.2029 55 N 4.6799 8.7104 117.8489 52.7103 39.5484 174.5348 56 R 5.3195 8.3572 122.9355 53.5088 29.3297 173.3423 57 A 3.7086 7.9885 126.0797 50.6552 18.7765 175.5661 *58 P 4.0464 0.0000 0.0000 63.3644 31.6658 171.1902 59 G 4.3468 9.5137 115.9039 45.2493 0.0000 174.1995 60 V 3.2399 6.8276 117.8867 61.8959 31.8655 174.0098 61 P 4.3568 0.0000 0.0000 62.3830 31.6768 177.1006 62 A 4.1896 8.7978 125.1613 54.1633 18.5791 178.4232 63 R 4.0868 8.0078 115.4320 58.4550 31.4529 176.4208 64 F 4.4706 8.3049 118.6971 56.7688 39.7790 175.5260 65 S 4.5903 8.6587 117.9978 56.6415 65.9863 172.9395 66 G 4.6815 8.6627 113.9088 45.2855 0.0000 172.6818 67 S 4.8988 9.0017 118.3013 57.2390 68.5604 172.7330 68 L 5.2621 8.4693 119.9503 53.2888 44.2203 176.7581 69 I 4.5975 9.4517 125.4949 60.4279 41.6422 175.1290 70 G 3.9431 8.5168 114.1866 47.1655 0.0000 173.9684 71 N 5.1675 8.7081 118.7629 52.3465 37.4759 172.7200 72 K 5.1087 9.0010 117.5435 55.7035 37.0981 175.2814 73 A 5.3144 8.7044 123.5108 50.3613 21.6788 175.7473 74 A 5.5114 9.3338 123.3109 49.9870 23.5567 174.7033 75 L 4.5828 7.8908 119.5454 53.6667 45.1557 175.1258 76 T 4.7820 8.4914 122.9757 61.6577 71.8208 173.3361 77 I 4.6601 8.5756 126.5767 59.0683 39.1653 176.0758 78 T 4.2363 8.4649 123.2581 63.1770 69.1224 175.6587 79 G 4.6186 7.9013 106.1314 46.2491 0.0000 173.3169 80 A 4.0905 7.1479 120.7516 50.3867 20.0407 177.6912 81 Q 4.6784 9.1640 121.7239 53.9977 32.4854 176.0856 82 T 3.8604 8.6077 113.0206 64.5546 69.0140 174.7012 83 E 4.2506 8.1689 121.2657 58.7507 29.9852 177.7891 84 D 4.6614 8.3621 117.2468 55.5799 41.0213 176.0627 85 E 4.0601 7.8232 120.5095 56.5688 30.0804 175.8423 86 A 4.2254 7.7016 126.5886 52.6285 24.6429 173.4709 87 I 4.8677 7.7305 117.0260 60.1734 39.5220 174.7724 88 Y 4.8652 9.0549 124.9831 56.3388 40.4017 174.9508 89 F 5.6080 9.4311 123.5360 56.0801 42.2135 172.5047 90 C 5.0172 8.9354 114.3994 53.5971 46.4226 172.5519 91 A 4.7769 8.7917 121.3621 50.2877 22.5420 174.9635 92 L 5.1814 9.5513 120.0624 52.6369 46.4434 175.1672 93 W 4.7233 8.0341 129.5898 55.3666 33.1974 174.7234 94 Y 4.3878 7.2957 123.8612 57.2231 37.6205 176.3650 95 S 3.5372 6.9487 114.8155 60.1480 64.3310 174.5100 96 N 4.8051 8.3666 115.4203 52.6410 40.2848 177.8839 97 H 5.0004 6.6010 110.7510 53.4442 31.6471 172.2093 98 W 5.0752 8.9704 120.8134 56.9280 29.9325 176.1615 99 V 4.6645 9.5969 117.3335 59.6119 34.7342 174.6094 100 F 5.0929 8.9786 122.9617 55.4037 41.8882 175.4645 101 G 4.2165 8.9201 110.5674 45.3910 0.0000 174.1947 102 G 3.8489 8.8315 109.1330 46.5103 0.0000 175.3106 103 G 3.5146 8.5547 105.2750 45.8234 0.0000 172.3677 104 T 4.9566 8.3338 117.7164 60.6207 71.5498 173.3955 105 K 4.6821 8.7054 128.1260 54.8202 33.6695 174.4863 106 L 4.9212 8.7526 131.0789 54.3371 43.8901 175.1349 107 T 4.6318 8.7425 123.2325 61.8584 70.8213 173.3957 108 V 4.5292 9.4559 127.5647 60.9977 32.9176 175.2331 109 L 4.3576 8.4640 129.2524 55.1542 42.1176 175.8733 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 Q 8.34 4.18 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 2 A 7.47 3.84 0.63 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 3 V 8.73 3.58 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 0.66 0.00 0.00 0.89 0.00 0.00 4 V 8.40 4.54 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 0.82 0.00 0.00 1.04 0.00 0.00 5 T 8.99 4.77 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 6 Q 8.43 5.35 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.03 0.00 0.00 0.00 0.00 0.00 2.61 2.21 0.00 7 E 8.83 4.22 0.00 2.11 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 2.42 2.40 0.00 8 S 8.79 4.27 0.00 3.93 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 9 A 7.68 5.20 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 10 L 8.60 4.77 0.00 1.58 1.48 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.35 4.83 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 1.21 0.00 0.00 12 T 8.54 4.99 4.19 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 1.17 0.00 0.00 13 S 8.54 4.86 0.00 3.96 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 14 P 0.00 4.41 0.00 2.05 2.18 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 15 G 9.65 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.24 0.00 2.22 1.78 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 2.27 2.31 0.00 17 T 8.75 4.57 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 1.16 0.00 0.00 18 V 8.98 4.42 1.94 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 0.85 0.00 0.00 0.80 0.00 0.00 19 T 8.47 4.84 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 1.13 0.00 0.00 20 L 8.65 4.90 0.00 1.40 1.53 0.56 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.04 5.18 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 1.26 0.00 0.00 22 C 9.09 5.52 0.00 2.80 3.15 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 23 R 8.81 5.07 0.00 1.92 2.01 0.00 2.84 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 24 S 8.83 4.64 0.00 3.98 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 25 S 8.53 4.56 0.00 3.92 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 26 T 7.95 4.08 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 1.02 0.00 0.00 27 G 6.83 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 0.00 0.00 0.00 28 A 8.72 4.44 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 29 V 7.76 4.22 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 0.78 0.00 0.00 0.97 0.00 0.00 30 T 8.30 4.59 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 1.16 0.00 0.00 31 T 8.19 3.87 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 1.12 0.00 0.00 32 S 7.79 4.20 0.00 3.75 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 33 N 7.21 4.71 0.00 2.53 2.63 0.00 0.00 6.90 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 34 Y 8.22 4.50 0.00 2.91 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 35 A 8.13 4.34 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 36 N 9.11 5.57 0.00 3.11 2.78 0.00 0.00 6.71 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 37 W 9.20 5.42 0.00 3.41 3.34 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 38 V 8.92 4.88 2.47 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 1.29 0.00 0.00 1.18 0.00 0.00 39 Q 8.54 4.81 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 40 E 8.81 4.72 0.00 1.25 1.74 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 0.00 2.09 1.74 0.00 41 K 8.25 4.93 0.00 1.65 1.61 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.46 7.81 42 P 0.00 4.23 0.00 2.16 2.10 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 43 D 8.76 4.73 0.00 2.72 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 44 H 7.96 4.13 0.00 3.31 3.39 0.00 5.68 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.95 4.59 0.00 1.85 1.52 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.01 4.93 0.00 2.85 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 47 T 8.82 4.48 4.20 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 1.20 0.00 0.00 48 G 8.67 3.90 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 0.00 0.00 0.00 49 L 9.64 4.75 0.00 1.81 1.67 1.23 0.50 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 50 I 7.81 5.30 2.29 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 1.28 0.00 0.00 51 G 9.91 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.66 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 53 T 8.92 4.02 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 1.38 0.00 0.00 54 N 7.90 5.01 0.00 2.79 3.01 0.00 0.00 5.99 8.04 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 55 N 8.71 4.68 0.00 2.93 2.75 0.00 0.00 6.51 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 56 R 8.36 5.32 0.00 1.78 1.87 0.00 3.42 0.00 0.00 3.93 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 57 A 7.99 3.71 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 *58 P 0.00 4.05 0.00 2.10 1.87 0.00 3.71 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 1.95 1.65 0.00 59 G 9.51 4.35 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 0.00 60 V 6.83 3.24 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 0.66 0.00 0.00 0.86 0.00 0.00 61 P 0.00 4.36 0.00 2.42 2.06 0.00 3.46 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 2.41 2.16 0.00 62 A 8.80 4.19 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 63 R 8.01 4.09 0.00 1.72 1.74 0.00 3.10 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 64 F 8.30 4.47 0.00 3.02 3.04 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 65 S 8.66 4.59 0.00 3.84 3.57 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 66 G 8.66 4.68 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 67 S 9.00 4.90 0.00 3.76 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 68 L 8.47 5.26 0.00 1.52 1.59 0.98 0.85 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 69 I 9.45 4.60 1.90 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 1.25 1.03 0.92 0.00 0.00 70 G 8.52 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 71 N 8.71 5.17 0.00 2.75 3.00 0.00 0.00 5.72 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 72 K 9.00 5.11 0.00 1.91 1.90 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 73 A 8.70 5.31 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 74 A 9.33 5.51 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 75 L 7.89 4.58 0.00 0.27 0.13 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.49 4.78 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 1.11 0.00 0.00 77 I 8.58 4.66 1.49 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 0.56 1.63 0.61 0.00 0.00 78 T 8.46 4.24 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 1.15 0.00 0.00 79 G 7.90 4.62 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 0.00 0.00 0.00 80 A 7.15 4.09 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 81 Q 9.16 4.68 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 82 T 8.61 3.86 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 83 E 8.17 4.25 0.00 2.11 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 2.40 2.35 0.00 84 D 8.36 4.66 0.00 2.71 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 85 E 7.82 4.06 0.00 2.10 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 2.35 2.48 0.00 86 A 7.70 4.23 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 87 I 7.73 4.87 1.77 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 1.18 0.53 0.43 0.00 0.00 88 Y 9.05 4.87 0.00 3.06 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 89 F 9.43 5.61 0.00 3.40 3.38 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 90 C 8.94 5.02 0.00 1.52 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 91 A 8.79 4.78 0.31 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 92 L 9.55 5.18 0.00 1.68 1.64 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 93 W 8.03 4.72 0.00 2.24 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 4.39 0.00 2.96 2.68 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 95 S 6.95 3.54 0.00 4.09 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 96 N 8.37 4.81 0.00 2.54 2.71 0.00 0.00 6.80 7.78 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 97 H 6.60 5.00 0.00 3.32 3.31 0.00 5.44 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.97 5.08 0.00 3.40 3.37 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 99 V 9.60 4.66 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 0.78 0.00 0.00 1.07 0.00 0.00 100 F 8.98 5.09 0.00 2.98 2.97 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 0.00 101 G 8.92 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 0.00 0.00 0.00 0.00 102 G 8.83 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 0.00 0.00 0.00 103 G 8.55 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 0.00 104 T 8.33 4.96 4.37 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 1.25 0.00 0.00 105 K 8.71 4.68 0.00 1.84 1.70 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 106 L 8.75 4.92 0.00 1.88 1.69 0.87 0.44 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 0.00 107 T 8.74 4.63 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 1.22 0.00 0.00 108 V 9.46 4.53 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 0.72 0.00 0.00 0.97 0.00 0.00 109 L 8.46 4.36 0.00 1.75 1.47 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.