NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2920 0.0000 0.0000 62.0509 31.8808 175.4948 3 K 3.6897 8.8439 124.4092 55.2088 31.1364 174.0046 4 K 4.0005 7.9379 123.5828 54.3119 34.0828 175.0785 5 V 5.2183 7.5066 125.0669 61.0937 34.7513 173.9114 6 L 4.4183 7.7167 116.6875 54.3978 45.4832 173.9267 7 T 5.0506 8.2747 118.5159 61.8471 71.4353 173.6053 8 G 3.9182 8.4703 111.5900 46.1853 0.0000 171.8412 9 V 4.6152 7.5556 119.6828 61.4598 33.2598 175.2463 10 V 4.1867 8.2992 127.5659 63.3750 31.5339 176.4328 11 V 3.9208 8.7133 122.4980 61.9073 33.3071 176.6312 12 S 4.8730 7.8902 114.5769 56.2352 65.2615 174.0636 13 D 4.9631 8.7319 123.1765 52.9673 40.2070 175.4540 14 K 4.4298 7.6916 117.4836 57.4649 32.2843 176.2804 15 M 4.7142 7.7113 116.7870 53.3756 35.0427 175.1056 16 Q 4.0620 8.5785 123.1949 56.6213 28.3716 175.8264 17 K 4.1312 9.1290 123.5684 57.2192 29.3636 175.6805 18 T 5.3032 7.6549 112.2373 62.6375 72.4437 173.5546 19 V 4.7109 8.8600 116.0240 60.1455 36.8809 174.7830 20 T 4.7740 8.3708 119.0518 62.2434 70.2586 173.9983 21 V 4.6152 8.6334 128.4899 61.0574 33.4170 174.6476 22 L 4.4389 9.0427 131.7328 54.8334 43.4058 175.4550 23 V 4.6820 9.1146 126.4919 61.1915 33.9407 174.2393 24 E 5.1189 8.8428 127.2966 55.4663 31.2246 175.7579 25 R 4.8862 9.5985 119.0799 54.6799 33.1249 174.0022 26 Q 5.4114 8.3876 119.4009 54.7797 31.7083 174.3932 27 F 4.7836 7.9647 112.0544 55.6210 41.4073 171.5325 28 P 4.7962 0.0000 0.0000 62.8590 32.2006 175.3880 29 H 4.4855 8.9823 124.5436 54.3282 30.4231 174.3033 30 P 4.2877 0.0000 0.0000 64.7319 31.0634 176.0721 31 L 4.4969 7.4430 116.1022 55.5693 46.3593 174.9425 32 Y 4.9266 8.1348 113.0959 57.3180 38.9859 175.3888 33 G 4.0342 7.6882 113.8984 45.4785 0.0000 172.9135 34 K 4.7654 6.8971 118.6666 50.5975 33.4462 175.2403 35 V 3.9598 8.4589 127.9889 63.0906 32.3041 174.9354 36 I 4.5727 8.6573 120.2660 58.9581 40.7405 174.2429 37 K 4.8027 8.5750 124.0190 55.5738 33.4001 175.8011 38 R 4.9925 9.1766 124.0376 55.2227 34.2900 173.4639 39 S 5.1803 8.3851 115.0665 57.4433 65.9442 173.2580 40 K 4.7020 9.1030 121.4896 54.8111 36.0085 174.7623 41 K 5.0838 8.4843 123.7194 55.0884 34.0871 175.3390 42 Y 4.5725 8.9857 121.6647 56.0497 41.4107 174.6839 43 L 4.9009 8.5973 122.9760 53.8434 42.9606 175.7162 44 A 5.0851 9.6499 127.2527 50.0022 21.8434 175.0821 45 H 4.4510 9.4797 124.0887 56.4991 31.1456 174.0899 46 D 5.0385 8.9522 125.6337 51.5722 40.8174 173.9750 47 P 4.4867 0.0000 0.0000 63.5647 31.7939 177.4736 48 E 4.5345 8.2688 117.6936 55.6533 30.6259 175.8182 49 E 4.2846 8.3562 116.5206 56.9542 27.6780 176.5519 50 K 4.0043 7.8819 119.6926 58.5507 32.8169 176.2496 51 Y 4.4605 8.2401 119.5008 56.2569 39.1129 175.6000 52 K 4.5771 8.5917 125.2444 55.0758 35.2076 174.8073 53 L 4.1698 8.2263 121.1601 56.2441 42.4953 176.9148 54 G 4.0829 8.5527 114.1473 45.0071 0.0000 172.2027 55 D 4.8582 7.9773 120.8455 53.8682 42.3601 175.5368 56 V 4.3996 8.4189 124.1918 62.6508 32.8585 175.3519 57 V 4.7934 9.0403 120.2843 59.9375 36.8196 173.7815 58 E 5.2045 8.7046 120.6409 54.9264 32.2965 175.6223 59 I 5.0059 8.9089 123.1223 59.5252 41.4861 174.0767 60 I 4.7322 8.3786 125.8256 58.6998 40.7629 172.7546 61 E 2.9054 8.9386 131.2974 56.6877 29.5225 176.3035 62 S 4.6789 7.3641 121.0746 56.0347 65.6565 174.1824 63 R 3.9188 8.2879 121.1380 55.3161 30.3727 174.0668 64 P 4.1988 0.0000 0.0000 63.6203 31.5335 175.9728 65 I 4.1113 7.9777 124.3818 62.5667 38.2259 176.2311 66 S 4.5487 7.6536 111.6824 57.0656 64.6208 175.5002 67 K 3.8921 8.6511 122.4391 58.0532 32.2288 177.2194 68 R 3.9025 8.7545 121.7538 56.5031 29.8738 175.9033 69 K 4.6800 8.2449 118.0342 55.2587 32.7415 175.7255 70 R 5.0905 8.2250 129.6558 54.4563 31.0717 175.4746 71 F 5.0756 7.9688 115.1683 57.7160 43.9820 175.0975 72 R 4.7139 8.7877 123.3678 54.7890 32.3677 176.1562 73 V 3.3566 7.9696 122.0942 63.1497 31.1248 175.1213 74 L 4.1443 9.1968 133.8030 56.6992 41.4568 177.7350 75 R 4.9748 7.6004 111.9077 53.9935 34.1469 173.9972 76 L 4.7128 8.6117 121.0127 55.0560 42.5152 176.1814 77 V 4.4265 8.4608 121.8316 62.4241 34.4571 175.1444 78 E 5.1841 7.8547 116.3486 55.5108 30.3211 176.0729 79 S 4.5162 8.7044 119.0986 59.0649 63.4633 173.2373 80 G 3.8277 8.5576 111.2420 46.4526 0.0000 174.3302 81 R 4.7045 8.1074 121.0893 55.3588 31.3840 177.0770 82 M 4.4178 7.8685 116.2455 56.6310 32.1901 177.7544 83 D 4.4328 7.9564 120.7192 56.0801 39.8423 178.1361 84 L 4.2246 7.7705 120.1253 57.1117 41.8190 179.1916 85 V 3.6839 7.7768 117.8139 65.8204 31.3943 177.8055 86 E 3.9502 8.0916 118.1957 59.4023 29.5346 179.0226 87 K 3.8221 7.6508 117.0815 60.0560 32.0837 178.4273 88 Y 3.9954 8.2104 119.2326 60.8184 38.8605 177.9537 89 L 3.7904 8.4296 119.9487 57.6503 41.6802 179.9155 90 I 3.6448 8.3210 120.1891 64.0595 36.9432 177.8403 91 R 3.5914 7.2471 117.9286 59.5525 30.0041 177.7906 92 R 3.3195 7.4552 118.0452 59.5247 29.5817 178.2754 93 Q 4.0419 7.8590 118.7512 58.9794 28.6013 177.8982 94 N 4.4208 8.2529 117.7489 56.0348 38.4456 176.7374 95 Y 4.5340 8.0323 118.9454 60.9371 37.2984 178.1564 96 E 4.0584 7.9821 118.9871 59.3396 29.4034 179.1401 97 S 4.3191 7.7119 111.8825 60.1883 63.1735 175.3415 98 L 4.4252 7.7091 121.7033 56.7338 42.4240 177.4702 99 S 4.6705 7.8505 117.4948 58.2612 63.1825 176.0940 100 K 4.2200 8.4367 116.8673 55.2052 31.3920 176.8938 *101 R 4.1415 8.0831 120.1649 56.1614 30.0213 175.2491 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 P 0.00 4.29 0.00 2.18 2.15 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.84 3.69 0.00 1.80 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 4 K 7.94 4.00 0.00 1.86 1.86 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.62 7.81 5 V 7.51 5.22 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 0.79 0.00 0.00 0.98 0.00 0.00 6 L 7.72 4.42 0.00 1.36 1.24 0.37 0.55 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 7 T 8.27 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 1.25 0.00 0.00 8 G 8.47 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 9 V 7.56 4.62 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 0.86 0.00 0.00 0.92 0.00 0.00 10 V 8.30 4.19 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 0.90 0.00 0.00 0.91 0.00 0.00 11 V 8.71 3.92 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 0.15 0.00 0.00 0.61 0.00 0.00 12 S 7.89 4.87 0.00 3.86 3.63 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 13 D 8.73 4.96 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 4.43 0.00 1.83 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.39 7.81 15 M 7.71 4.71 0.00 1.95 1.90 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 2.48 2.53 0.00 16 Q 8.58 4.06 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 17 K 9.13 4.13 0.00 2.05 1.99 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.48 7.81 18 T 7.65 5.30 4.27 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 1.31 0.00 0.00 19 V 8.86 4.71 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 0.86 0.00 0.00 0.90 0.00 0.00 20 T 8.37 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 1.13 0.00 0.00 21 V 8.63 4.62 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 0.97 0.00 0.00 0.84 0.00 0.00 22 L 9.04 4.44 0.00 1.56 1.42 1.00 0.69 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 23 V 9.11 4.68 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 0.89 0.00 0.00 0.73 0.00 0.00 24 E 8.84 5.12 0.00 1.91 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 0.00 2.30 2.32 0.00 25 R 9.60 4.89 0.00 1.84 2.00 0.00 2.68 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 26 Q 8.39 5.41 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 27 F 7.96 4.78 0.00 3.10 3.09 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 28 P 0.00 4.80 0.00 2.02 2.04 0.00 3.83 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 2.08 2.11 0.00 29 H 8.98 4.49 0.00 2.97 3.21 0.00 5.61 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 30 P 0.00 4.29 0.00 2.10 2.16 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 31 L 7.44 4.50 0.00 1.31 1.09 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.13 4.93 0.00 2.71 2.74 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 0.00 0.00 0.00 33 G 7.69 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 0.00 0.00 0.00 34 K 6.90 4.77 0.00 1.79 1.65 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 35 V 8.46 3.96 2.04 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 0.86 0.00 0.00 0.92 0.00 0.00 36 I 8.66 4.57 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.20 0.85 0.00 0.00 37 K 8.58 4.80 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.42 7.81 38 R 9.18 4.99 0.00 2.16 1.86 0.00 3.40 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 39 S 8.39 5.18 0.00 4.05 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 40 K 9.10 4.70 0.00 1.77 1.65 0.00 0.62 0.00 0.00 0.85 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.94 1.19 7.81 41 K 8.48 5.08 0.00 1.62 1.66 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.48 7.81 42 Y 8.99 4.57 0.00 2.57 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 0.00 0.00 0.00 0.00 43 L 8.60 4.90 0.00 1.69 1.65 0.93 0.74 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 44 A 9.65 5.09 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 45 H 9.48 4.45 0.00 3.25 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.95 5.04 0.00 2.83 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 47 P 0.00 4.49 0.00 2.20 2.07 0.00 3.70 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 48 E 8.27 4.53 0.00 1.93 1.90 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 2.20 2.23 0.00 49 E 8.36 4.28 0.00 2.05 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 2.31 2.39 0.00 50 K 7.88 4.00 0.00 1.55 1.81 0.00 1.28 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 0.55 7.81 51 Y 8.24 4.46 0.00 3.30 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.59 4.58 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.83 1.50 7.81 53 L 8.23 4.17 0.00 1.62 1.63 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.55 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.98 4.86 0.00 2.71 2.71 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 0.00 0.00 0.00 0.00 56 V 8.42 4.40 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 0.93 0.00 0.00 0.93 0.00 0.00 57 V 9.04 4.79 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 0.60 0.00 0.00 0.97 0.00 0.00 58 E 8.70 5.20 0.00 1.89 1.79 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 2.20 2.23 0.00 59 I 8.91 5.01 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.87 1.24 0.00 0.00 60 I 8.38 4.73 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.56 0.93 0.00 0.00 61 E 8.94 2.91 0.00 1.83 1.73 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 2.11 1.96 0.00 62 S 7.36 4.68 0.00 3.78 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 63 R 8.29 3.92 0.00 1.73 1.80 0.00 3.42 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 64 P 0.00 4.20 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 65 I 7.98 4.11 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.68 0.00 0.00 66 S 7.65 4.55 0.00 3.94 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 67 K 8.65 3.89 0.00 1.73 1.80 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.48 7.81 68 R 8.75 3.90 0.00 1.97 2.05 0.00 3.26 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 69 K 8.24 4.68 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.61 7.81 70 R 8.23 5.09 0.00 1.93 1.84 0.00 3.28 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 71 F 7.97 5.08 0.00 2.93 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 72 R 8.79 4.71 0.00 1.78 1.84 0.00 3.15 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 73 V 7.97 3.36 1.77 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 -0.40 0.00 0.00 0.83 0.00 0.00 74 L 9.20 4.14 0.00 1.61 1.52 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.60 4.97 0.00 1.93 2.02 0.00 3.20 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 76 L 8.61 4.71 0.00 1.91 1.69 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.46 4.43 2.17 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 0.86 0.00 0.00 0.89 0.00 0.00 78 E 7.85 5.18 0.00 2.18 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 0.00 2.11 2.09 0.00 79 S 8.70 4.52 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 4.70 0.00 2.05 1.95 0.00 3.34 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 82 M 7.87 4.42 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 7.96 4.43 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.77 4.22 0.00 1.68 1.76 0.93 1.22 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 85 V 7.78 3.68 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 1.18 0.00 0.00 0.93 0.00 0.00 86 E 8.09 3.95 0.00 2.16 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 2.57 2.51 0.00 87 K 7.65 3.82 0.00 2.01 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.64 7.81 88 Y 8.21 4.00 0.00 3.09 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 89 L 8.43 3.79 0.00 2.03 1.72 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.32 3.64 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.91 0.00 0.00 91 R 7.25 3.59 0.00 1.84 1.80 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 92 R 7.46 3.32 0.00 1.50 1.61 0.00 3.06 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 93 Q 7.86 4.04 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 94 N 8.25 4.42 0.00 2.79 2.78 0.00 0.00 6.86 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 95 Y 8.03 4.53 0.00 3.05 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 96 E 7.98 4.06 0.00 2.07 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 2.35 2.36 0.00 97 S 7.71 4.32 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.43 0.00 1.77 1.77 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.85 4.67 0.00 4.00 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 0.00 100 K 8.44 4.22 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81 *101 R 8.08 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.