NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4238 8.2985 121.7437 56.0080 31.2475 174.4738 3 A 4.5179 8.7418 129.3969 50.9288 19.4456 171.0592 4 V 4.3022 8.9505 122.8845 61.2884 33.5303 173.6227 5 K 4.8723 8.5204 128.0213 55.1271 34.8123 175.0872 6 T 4.6926 9.5338 121.4401 60.6686 70.5146 173.0194 7 D 4.6739 8.5749 124.7153 53.8789 40.0595 177.0734 8 R 4.2611 7.8957 118.2713 56.8033 30.3341 175.8760 9 A 4.7314 7.3969 119.6015 49.2915 22.3211 174.2227 10 P 4.1606 0.0000 0.0000 62.8431 31.8091 176.6871 11 A 4.0177 8.5144 125.5894 51.8152 18.9498 176.7978 12 A 3.9209 8.4316 124.7152 52.1736 18.5288 177.6319 13 I 4.0405 9.2882 125.0817 62.9690 37.2630 175.0148 14 G 4.0644 7.9951 111.8165 42.5930 0.0000 170.4351 15 P 4.6107 0.0000 0.0000 60.8354 29.9204 174.5621 16 Y 4.7700 6.7946 115.5713 56.6915 41.0545 174.3625 17 A 4.7638 8.3449 123.3753 50.3417 21.4746 177.0122 18 Q 4.4536 8.6958 119.3649 59.3934 29.9902 176.5210 19 A 5.1121 7.6838 117.3646 51.3094 23.0255 175.3507 20 V 4.9226 9.0296 118.9495 61.2150 35.1564 174.3213 21 K 5.1516 8.9127 127.5013 55.1471 33.3848 176.0241 22 A 4.3948 9.7586 125.1973 52.6909 22.4469 176.1665 23 G 4.2789 10.1912 108.6259 46.5556 0.0000 174.7339 24 G 3.7649 8.5854 106.1635 44.6940 0.0000 173.0830 25 F 5.2462 8.2666 117.6667 55.3193 43.6805 174.0350 26 V 4.7487 8.8595 119.5705 61.3639 34.2079 174.0483 27 F 4.8989 9.5466 127.7368 56.0472 40.7855 174.8671 28 V 4.8235 8.6561 124.6927 61.0305 33.3468 175.6063 29 S 4.3797 8.9701 124.3324 58.0769 63.7285 174.4264 30 G 3.7935 8.5824 109.3434 46.9784 0.0000 172.8086 31 Q 5.0443 9.3591 123.9745 53.9752 31.9117 174.7159 32 I 4.9532 8.0836 114.9040 57.3929 41.3434 174.1623 33 P 4.7098 0.0000 0.0000 62.4653 29.0112 176.5324 34 L 4.9626 7.6792 118.3061 52.9488 44.2787 177.1135 35 A 4.4544 8.9574 125.6613 50.5038 19.7370 176.7977 36 P 4.3077 0.0000 0.0000 65.8718 31.3054 177.7113 37 D 4.4873 7.9675 114.3237 53.7889 39.7003 176.8938 38 G 4.0385 8.1719 108.8766 45.1288 0.0000 174.3035 39 S 4.3553 8.5570 116.9013 58.3603 64.1681 173.0033 40 L 4.5616 8.4065 125.4739 54.2426 43.0653 175.7627 41 V 4.1410 8.6652 127.3377 61.9844 32.2526 174.9086 42 E 4.5995 8.4084 129.8281 54.3724 32.1537 173.0787 43 G 3.7753 8.5941 104.6511 44.8374 0.0000 173.2723 44 D 4.6638 8.5057 118.9730 52.6903 41.6731 176.5217 45 I 3.7484 8.3338 118.7145 64.3742 37.8247 177.8591 46 R 3.9488 8.0404 118.4742 59.2229 29.8595 179.0296 47 V 3.6415 8.5199 118.4426 66.1151 31.6112 178.1768 48 Q 4.0473 8.2041 117.8996 59.2496 28.3282 178.7750 49 T 4.0112 8.1814 116.3777 66.4316 68.5345 175.8886 50 E 4.0033 7.9023 120.2531 59.4014 29.9800 178.6004 51 R 4.0703 7.7304 118.6281 59.2459 30.0312 179.1174 52 V 3.6332 7.5144 114.4581 63.8786 31.2990 177.2137 *54 E 4.2533 8.1663 118.7846 56.0276 31.7063 178.0740 55 N 4.3565 8.1952 116.2303 56.1856 38.4659 177.3931 56 L 3.9883 8.0041 120.4386 57.6533 41.6678 179.3372 57 K 3.8333 8.0291 118.7344 59.6081 32.1161 178.3606 58 A 3.9769 8.0684 120.8258 55.1793 18.2883 179.8372 59 V 3.5691 7.8810 116.7320 66.0477 31.5506 178.1934 60 L 4.0077 8.2522 119.0923 58.0153 41.5079 179.4473 61 E 4.2092 8.7863 119.8047 58.8713 29.1623 179.2985 62 A 4.0437 8.0654 119.7060 54.6865 18.5091 178.6030 63 A 4.3542 7.7534 116.8685 52.1848 18.8266 178.1720 64 G 3.8947 8.0619 105.7107 45.5570 0.0000 174.0743 65 S 5.1842 7.1236 115.2128 57.4669 64.1246 172.3819 66 G 3.9184 8.0204 105.5757 45.1369 0.0000 173.9953 67 L 4.1273 8.1574 119.0170 57.7593 41.5747 179.7743 68 S 4.4315 8.0537 110.8625 59.9274 63.3711 174.6442 69 R 4.3859 7.9242 119.9444 55.9684 30.5278 176.1655 70 V 4.1318 7.5497 119.1555 63.0839 31.9679 175.7904 71 V 4.4064 8.6595 119.3904 61.6988 34.2062 175.2838 72 Q 5.1793 7.7417 120.9164 55.0277 32.5608 173.0529 73 T 5.2014 9.0045 115.2894 60.2705 73.0017 172.8143 74 T 4.8250 9.0580 119.6910 62.1667 71.8809 172.6014 75 C 5.2323 8.8240 124.7370 57.7645 31.5906 173.1185 76 F 5.2817 9.2649 121.7360 55.6184 41.9822 174.1768 77 L 5.2780 8.8079 122.7235 52.9773 44.5476 177.3080 78 A 4.7141 8.5423 123.3017 53.1690 19.5392 176.4220 79 D 4.4529 7.4418 113.1281 53.2960 43.9471 174.5833 *81 E 4.3331 8.6651 115.5750 56.5165 31.3476 176.8469 82 D 4.6820 8.2961 118.1164 54.7745 41.1143 177.8905 83 F 4.2380 8.2227 122.2051 60.8975 39.3736 174.7160 84 P 4.1632 0.0000 0.0000 65.6911 31.1856 178.8112 85 G 3.5657 8.0063 103.7870 47.6312 0.0000 175.2494 86 F 4.1323 8.4385 123.4741 61.1414 39.4053 176.7393 87 N 3.6992 8.2636 116.8806 56.2802 38.3493 176.4870 88 E 3.8481 7.6321 119.9703 59.2814 30.1020 178.7085 89 V 3.7649 7.6809 118.3381 65.9692 31.5814 177.1640 90 Y 3.9329 7.9966 119.3503 60.8141 38.4662 178.2212 91 A 4.3434 8.3478 121.1562 54.9292 18.1989 179.5708 92 R 3.8605 7.9683 115.7951 58.5059 30.2480 177.0048 93 Y 4.0080 7.7481 114.4012 57.7173 38.7013 175.4159 94 F 5.0596 7.4935 117.4156 55.7632 42.3289 174.2589 95 T 4.4503 7.9955 115.8787 59.1104 70.4876 171.8310 96 P 3.7901 0.0000 0.0000 62.1724 31.8056 174.4190 97 P 4.4004 0.0000 0.0000 62.3813 32.2607 175.8260 98 Y 4.3521 8.2396 119.3231 56.8675 38.8167 173.4117 99 P 4.6144 0.0000 0.0000 62.1911 32.5933 176.1767 100 A 4.3636 8.7290 123.5621 52.2299 19.6376 176.7185 101 R 5.1927 8.3138 118.6870 54.7953 33.7859 174.0184 102 A 4.7415 8.6011 125.0605 50.4537 22.2985 175.1709 103 T 4.9087 8.3204 117.7288 61.9005 72.3877 173.6791 104 V 4.5243 8.3714 117.1213 59.7964 36.8985 173.6233 105 A 5.2090 8.4840 123.2650 50.4291 20.9655 176.3488 106 V 4.4525 8.7260 115.0648 59.1428 35.1350 177.3116 107 K 3.8912 8.7773 121.4526 59.5114 32.1323 177.5130 108 A 4.5255 7.3899 117.1468 51.2129 21.9557 174.8433 109 L 4.7734 7.9925 119.4040 51.5598 45.2268 174.3593 110 P 4.3492 0.0000 0.0000 64.7715 31.5379 176.8318 111 R 3.9343 9.5828 118.8512 56.8861 27.7494 176.5888 112 G 3.9544 8.0836 102.4685 46.4504 0.0000 175.3417 113 V 3.8638 7.7132 112.2404 61.2846 32.2678 176.6425 114 R 4.4555 8.4742 120.1233 58.1581 31.2528 176.6277 115 V 4.9673 7.5217 116.1101 60.5568 34.4550 173.3662 116 E 5.0195 9.1732 122.5464 54.8866 33.5737 174.0902 117 V 5.1717 9.0813 125.3837 61.2941 35.2177 173.9263 118 A 5.3258 9.0113 128.6527 50.7354 22.8711 174.1903 119 C 5.1404 8.3459 113.0601 57.7421 33.8507 172.8249 120 V 4.8409 8.9355 118.0992 61.2479 34.7048 173.9429 121 A 5.2760 8.8538 127.6767 50.1088 23.4209 174.9237 122 L 4.2346 8.8432 119.0982 54.3971 42.8509 177.9391 123 A 4.3113 8.5323 123.6267 51.8024 19.0995 177.6576 124 E 3.9868 7.7491 121.1778 57.1052 30.0716 174.3136 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 2 E 8.30 4.42 0.00 2.10 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 0.00 2.31 2.35 0.00 3 A 8.74 4.52 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 4 V 8.95 4.30 2.21 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 0.81 0.00 0.00 1.02 0.00 0.00 5 K 8.52 4.87 0.00 1.74 1.62 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.40 7.81 6 T 9.53 4.69 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 1.28 0.00 0.00 7 D 8.57 4.67 0.00 2.80 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 8 R 7.90 4.26 0.00 1.86 2.02 0.00 3.12 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 9 A 7.40 4.73 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 10 P 0.00 4.16 0.00 2.10 2.08 0.00 3.72 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 2.09 2.30 0.00 11 A 8.51 4.02 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 12 A 8.43 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 9.29 4.04 1.93 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 1.33 0.90 0.92 0.00 0.00 14 G 8.00 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.61 0.00 2.24 2.13 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 16 Y 6.79 4.77 0.00 3.06 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 17 A 8.34 4.76 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 18 Q 8.70 4.45 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 19 A 7.68 5.11 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 20 V 9.03 4.92 2.25 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 1.06 0.00 0.00 1.00 0.00 0.00 21 K 8.91 5.15 0.00 1.72 1.79 0.00 1.90 0.00 0.00 1.89 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 22 A 9.76 4.39 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 23 G 10.19 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 0.00 0.00 0.00 0.00 24 G 8.59 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 25 F 8.27 5.25 0.00 2.81 2.35 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 26 V 8.86 4.75 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 1.11 0.00 0.00 0.94 0.00 0.00 27 F 9.55 4.90 0.00 3.03 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 28 V 8.66 4.82 2.26 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 1.04 0.00 0.00 1.00 0.00 0.00 29 S 8.97 4.38 0.00 3.96 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 30 G 8.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 9.36 5.04 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 32 I 8.08 4.95 1.89 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 1.37 0.70 0.92 0.00 0.00 33 P 0.00 4.71 0.00 2.19 2.10 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 34 L 7.68 4.96 0.00 1.64 1.59 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.96 4.45 1.29 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 36 P 0.00 4.31 0.00 2.06 2.34 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 37 D 7.97 4.49 0.00 2.77 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 38 G 8.17 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 39 S 8.56 4.36 0.00 3.81 3.80 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 0.00 0.00 0.00 40 L 8.41 4.56 0.00 1.64 1.57 0.94 0.92 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 41 V 8.67 4.14 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 0.83 0.00 0.00 0.95 0.00 0.00 42 E 8.41 4.60 0.00 2.00 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 2.25 2.29 0.00 43 G 8.59 3.78 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 0.00 0.00 0.00 44 D 8.51 4.66 0.00 2.99 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 45 I 8.33 3.75 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.61 1.01 0.00 0.00 46 R 8.04 3.95 0.00 2.11 1.99 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 47 V 8.52 3.64 2.22 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 1.05 0.00 0.00 1.02 0.00 0.00 48 Q 8.20 4.05 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 49 T 8.18 4.01 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 1.24 0.00 0.00 50 E 7.90 4.00 0.00 2.17 2.21 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 2.40 2.52 0.00 51 R 7.73 4.07 0.00 1.94 2.08 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 52 V 7.51 3.63 2.30 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 1.12 0.00 0.00 1.07 0.00 0.00 *54 E 8.17 4.25 0.00 2.20 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 2.34 0.00 55 N 8.20 4.36 0.00 2.95 2.88 0.00 0.00 6.95 6.07 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 56 L 8.00 3.99 0.00 1.64 1.75 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.03 3.83 0.00 1.81 1.98 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 58 A 8.07 3.98 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 59 V 7.88 3.57 2.24 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 1.08 0.00 0.00 1.05 0.00 0.00 60 L 8.25 4.01 0.00 1.95 1.81 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.79 4.21 0.00 2.18 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 2.33 2.38 0.00 62 A 8.07 4.04 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 63 A 7.75 4.35 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 64 G 8.06 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 0.00 0.00 0.00 65 S 7.12 5.18 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.02 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 67 L 8.16 4.13 0.00 1.65 1.53 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.05 4.43 0.00 3.98 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 69 R 7.92 4.39 0.00 2.02 2.09 0.00 3.43 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 70 V 7.55 4.13 2.34 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 0.83 0.00 0.00 1.21 0.00 0.00 71 V 8.66 4.41 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 0.81 0.00 0.00 1.05 0.00 0.00 72 Q 7.74 5.18 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 T 9.00 5.20 4.45 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 1.29 0.00 0.00 74 T 9.06 4.82 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 1.00 0.00 0.00 75 C 8.82 5.23 0.00 2.64 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 76 F 9.26 5.28 0.00 2.91 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 77 L 8.81 5.28 0.00 1.49 1.46 0.93 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.54 4.71 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 79 D 7.44 4.45 0.00 2.63 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 *81 E 8.67 4.33 0.00 2.17 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 2.24 2.46 0.00 82 D 8.30 4.68 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 83 F 8.22 4.24 0.00 3.13 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 84 P 0.00 4.16 0.00 2.21 2.11 0.00 3.86 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 85 G 8.01 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 0.00 0.00 0.00 86 F 8.44 4.13 0.00 3.06 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 87 N 8.26 3.70 0.00 1.74 2.47 0.00 0.00 6.90 7.52 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 88 E 7.63 3.85 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 2.31 2.29 0.00 89 V 7.68 3.76 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 1.04 0.00 0.00 1.05 0.00 0.00 90 Y 8.00 3.93 0.00 2.43 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 91 A 8.35 4.34 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 92 R 7.97 3.86 0.00 1.95 1.81 0.00 3.19 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 93 Y 7.75 4.01 0.00 2.48 2.36 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 94 F 7.49 5.06 0.00 3.34 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 95 T 8.00 4.45 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 96 P 0.00 3.79 0.00 1.96 1.91 0.00 3.54 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 97 P 0.00 4.40 0.00 2.17 2.03 0.00 3.69 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 1.94 1.96 0.00 98 Y 8.24 4.35 0.00 2.99 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 99 P 0.00 4.61 0.00 1.78 1.86 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.90 0.00 100 A 8.73 4.36 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 0.00 101 R 8.31 5.19 0.00 1.77 1.70 0.00 2.97 0.00 0.00 2.80 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 102 A 8.60 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.32 4.91 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 1.05 0.00 0.00 104 V 8.37 4.52 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 0.56 0.00 0.00 0.89 0.00 0.00 105 A 8.48 5.21 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 0.00 106 V 8.73 4.45 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 1.07 0.00 0.00 1.00 0.00 0.00 107 K 8.78 3.89 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.44 7.81 108 A 7.39 4.53 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 0.00 109 L 7.99 4.77 0.00 1.86 1.53 0.99 0.95 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 0.00 110 P 0.00 4.35 0.00 2.15 1.97 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 111 R 9.58 3.93 0.00 1.92 1.98 0.00 3.36 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 112 G 8.08 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 0.00 113 V 7.71 3.86 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 0.77 0.00 0.00 0.98 0.00 0.00 114 R 8.47 4.46 0.00 1.80 2.00 0.00 3.25 0.00 0.00 3.54 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 115 V 7.52 4.97 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 0.73 0.00 0.00 0.94 0.00 0.00 116 E 9.17 5.02 0.00 2.05 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 2.30 2.45 0.00 117 V 9.08 5.17 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 1.07 0.00 0.00 1.27 0.00 0.00 118 A 9.01 5.33 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 0.00 119 C 8.35 5.14 0.00 3.22 3.13 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 0.00 120 V 8.94 4.84 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 0.61 0.00 0.00 1.00 0.00 0.00 121 A 8.85 5.28 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 0.00 122 L 8.84 4.23 0.00 1.54 1.43 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.53 4.31 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 0.00 124 E 7.75 3.99 0.00 2.25 1.96 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 2.18 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.