NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5416 8.1627 120.3615 54.9068 33.4218 174.4279 2 Q 3.9142 8.6617 127.9003 57.4113 29.4243 175.8721 3 F 4.3476 10.2913 125.1805 57.4829 38.7775 174.2050 4 K 4.4729 7.9264 120.9248 55.9485 33.6088 175.8791 5 V 4.7883 8.1799 123.4382 61.5512 33.6942 174.3300 6 Y 5.2038 8.6445 124.5964 56.0375 42.2697 174.4818 7 T 4.2960 8.2080 110.6432 61.1823 71.1062 173.5786 8 Y 4.9156 8.5019 126.6611 56.6607 39.4525 175.3368 9 K 4.3822 9.1858 125.8306 56.8053 32.3079 177.1031 10 R 4.2845 6.7137 119.7845 53.8463 32.2651 175.3962 11 E 4.0561 8.4371 124.1669 56.2764 29.0295 175.6814 12 S 4.5680 8.1217 121.7904 57.9646 65.4652 175.9588 13 R 4.0121 8.5269 118.6455 58.6758 29.2035 175.1443 14 Y 5.0212 7.4639 113.7682 57.6553 39.2447 175.3114 15 R 4.7812 8.9973 119.0332 56.3750 32.6752 175.3777 16 L 5.1908 7.8990 117.9108 52.7277 45.8507 175.3192 17 F 5.3303 7.9133 114.6172 55.6951 42.2803 173.1822 18 V 5.0000 8.9453 119.0120 59.5777 33.9165 174.4856 19 D 4.6313 9.3475 125.6582 54.7143 41.8185 176.4462 20 V 4.3964 8.4059 118.2691 61.0345 32.7366 176.0384 21 Q 4.1303 7.8830 121.9205 55.0221 30.0604 175.5767 22 S 4.3184 8.2020 117.3654 58.4113 62.9940 174.7072 23 D 4.5159 8.4574 125.2750 55.8787 40.9203 176.9034 24 I 3.9617 7.2788 118.2238 61.1684 38.3090 175.3369 25 I 4.0460 7.3369 122.9956 61.0045 36.5549 175.6621 26 D 4.5860 8.4192 125.6597 52.1097 39.4917 174.1835 27 T 4.3960 7.9757 117.0113 57.5538 68.6013 170.8348 28 P 4.2869 0.0000 0.0000 64.9803 31.7275 177.0457 29 G 3.9882 9.6607 111.1498 45.2448 0.0000 172.2379 30 R 5.1568 7.8354 116.9954 54.5827 34.4128 174.9315 31 R 4.7384 8.5089 120.1739 54.7102 35.2452 173.8844 32 M 4.5800 9.1619 123.7398 55.2656 33.4120 175.4838 33 V 4.8891 8.8279 118.8042 59.6086 36.8609 174.2899 34 I 4.6524 8.5310 122.7832 59.0768 39.8680 173.6548 35 P 4.7592 0.0000 0.0000 62.0705 32.5993 175.1050 36 L 5.4498 8.2713 122.8138 53.4868 43.7880 175.8592 37 A 5.1324 9.2110 122.3922 50.1015 23.2638 175.8343 38 S 3.9809 8.7126 114.6365 58.0437 63.0979 175.4223 39 A 3.9696 8.5396 130.5606 55.0551 18.2686 179.4678 40 R 4.1265 7.6898 110.2712 57.7717 30.0329 177.6894 41 L 4.0995 7.8878 118.8823 56.4408 41.8746 176.9851 42 L 4.6682 7.2268 118.6506 52.2840 43.6904 176.6402 43 S 4.3942 8.2956 117.5648 58.1468 63.8341 174.1032 44 D 4.6878 8.3784 118.1123 55.0156 40.6712 177.9651 45 K 4.1121 7.8341 119.3050 58.2893 32.3415 177.5402 46 V 3.7643 7.1995 119.3578 61.7638 32.0965 175.4155 47 S 4.1729 8.9381 121.6294 58.9448 62.2397 175.0855 48 R 4.5993 8.6323 126.2990 58.1625 30.4887 178.5977 49 E 3.9998 8.2664 119.0766 58.7306 30.0559 178.2005 50 L 3.8488 7.9445 119.5406 56.9761 42.6968 176.0139 51 Y 4.9196 8.0179 118.2379 54.1847 38.3352 173.4361 52 P 4.7519 0.0000 0.0000 61.9003 33.2961 174.9685 53 V 4.7196 8.3363 122.7981 61.8978 32.6129 175.3583 54 V 4.7125 9.1547 120.8896 59.9106 35.5646 174.1016 55 H 5.4553 8.8655 117.9342 54.5209 31.4808 174.5700 56 I 4.5247 9.1089 123.1849 60.0413 40.1962 178.0214 57 G 3.9102 9.4330 122.1811 47.0858 0.0000 172.8808 58 D 5.0411 9.5323 117.8407 53.0010 41.4648 178.0628 59 E 4.7145 7.9268 114.7981 55.1627 33.9980 177.1702 60 S 5.2628 8.1802 117.4405 56.5053 65.5083 173.1584 61 W 5.2875 9.5183 123.5281 54.9143 32.7649 174.9270 62 R 4.7546 9.8243 124.2308 56.1237 31.1343 175.6825 63 M 4.5969 9.1435 123.8323 54.5575 32.9615 175.9445 64 M 4.9185 9.2026 126.4201 54.7196 30.8885 177.5465 65 T 3.8904 8.4182 120.3654 66.5657 69.1539 177.2917 66 T 3.8301 7.9441 109.7939 64.0317 68.9661 173.9398 67 D 4.8446 7.5205 120.6605 54.1431 41.4001 176.0110 68 M 4.4399 7.4843 113.9818 55.1821 32.2170 174.8657 69 A 4.5726 8.3329 120.5614 51.1495 23.5831 175.2126 70 S 4.9017 8.4120 115.3554 57.8875 64.1402 174.5696 71 V 4.5221 8.2528 116.8672 58.6361 35.5614 173.8840 72 P 4.7855 0.0000 0.0000 62.1988 32.2313 177.7197 73 V 3.6029 8.4775 121.7854 66.1061 31.5525 178.5085 74 S 4.3254 8.1784 113.1502 60.8989 62.8283 175.2675 75 V 4.1883 7.8744 111.8410 60.9137 31.6470 175.0833 76 I 4.8102 8.1460 122.9315 60.2323 37.6572 175.4478 77 G 4.2773 9.0608 122.9091 46.4256 0.0000 172.2986 78 E 4.7719 9.0372 121.8131 54.9881 32.0194 176.4013 79 E 4.0444 8.7314 121.1484 57.0519 29.4365 177.1245 80 V 4.3709 8.3729 116.1381 61.4076 34.5062 174.9369 81 A 4.4521 7.2711 120.2640 51.3262 22.8762 174.7491 82 D 4.9037 8.4681 117.5623 53.1959 43.4915 174.6506 83 L 4.5425 9.0606 127.3183 54.4348 42.0663 178.9512 84 S 4.0232 8.2738 117.3263 61.1880 62.8586 175.9937 85 H 4.2542 8.0244 115.2651 57.5065 28.7987 176.4471 86 R 4.4330 7.7782 119.8593 55.9898 30.4183 177.4665 87 E 3.2164 7.3320 123.0484 59.3761 29.3445 178.5303 88 N 4.2805 7.9187 115.6288 56.6850 38.7620 177.0575 89 D 4.3839 7.9592 119.5617 57.0916 40.9611 178.8839 90 I 3.7002 7.7426 120.5276 64.3468 37.1447 178.1284 91 K 3.9657 8.3020 120.6839 59.8790 31.9845 178.4899 92 N 4.3603 8.4643 116.4188 56.0367 38.3402 177.1793 93 A 4.2979 7.9262 123.5346 54.6741 18.3376 179.8657 94 I 3.6452 7.8221 118.0608 64.7605 37.2531 178.5344 95 N 4.4760 8.4762 117.3817 56.1786 38.0757 177.2471 96 L 4.1483 7.6945 121.1752 58.1202 42.2323 178.2537 97 M 3.9050 7.5048 117.5649 58.0779 32.1309 177.6801 98 F 3.8376 7.2312 116.7359 58.1416 39.6496 175.5849 99 W 5.1732 7.4766 116.6343 54.6181 31.4462 176.2392 100 G 3.6894 8.8830 107.5367 48.0328 0.0000 174.4861 *101 I 3.9519 7.6170 123.0268 59.9680 36.1889 180.0056 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 M 8.16 4.54 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 2 Q 8.66 3.91 0.00 2.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 5.56 0.00 0.00 0.00 0.00 0.00 1.16 1.75 0.00 3 F 10.29 4.35 0.00 3.30 3.08 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 4 K 7.93 4.47 0.00 2.00 1.21 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.72 7.81 5 V 8.18 4.79 1.88 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 0.87 0.00 0.00 0.84 0.00 0.00 6 Y 8.64 5.20 0.00 2.59 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 7 T 8.21 4.30 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 1.15 0.00 0.00 8 Y 8.50 4.92 0.00 2.92 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 9 K 9.19 4.38 0.00 1.70 1.81 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.42 7.81 10 R 6.71 4.28 0.00 1.35 0.74 0.00 3.29 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 11 E 8.44 4.06 0.00 1.92 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 2.27 2.27 0.00 12 S 8.12 4.57 0.00 4.11 3.91 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 13 R 8.53 4.01 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 14 Y 7.46 5.02 0.00 3.23 2.95 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 15 R 9.00 4.78 0.00 1.97 2.27 0.00 3.05 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 16 L 7.90 5.19 0.00 0.96 1.10 -0.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.91 5.33 0.00 2.88 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 18 V 8.95 5.00 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 0.98 0.00 0.00 1.06 0.00 0.00 19 D 9.35 4.63 0.00 2.98 2.89 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 20 V 8.41 4.40 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 0.77 0.00 0.00 0.92 0.00 0.00 21 Q 7.88 4.13 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 22 S 8.20 4.32 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.52 0.00 2.68 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 24 I 7.28 3.96 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.89 0.00 0.00 25 I 7.34 4.05 1.82 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 1.11 0.97 0.88 0.00 0.00 26 D 8.42 4.59 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 4.40 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 1.18 0.00 0.00 28 P 0.00 4.29 0.00 2.04 2.06 0.00 3.68 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 2.02 2.09 0.00 29 G 9.66 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 0.00 0.00 0.00 30 R 7.84 5.16 0.00 1.60 1.72 0.00 3.26 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 31 R 8.51 4.74 0.00 1.52 1.68 0.00 3.19 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 32 M 9.16 4.58 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 33 V 8.83 4.89 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 0.27 0.00 0.00 -0.10 0.00 0.00 34 I 8.53 4.65 1.87 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 1.18 0.64 0.95 0.00 0.00 35 P 0.00 4.76 0.00 0.57 0.76 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 36 L 8.27 5.45 0.00 1.55 1.84 0.43 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.21 5.13 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 38 S 8.71 3.98 0.00 3.51 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 39 A 8.54 3.97 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 40 R 7.69 4.13 0.00 1.88 2.01 0.00 3.12 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 41 L 7.89 4.10 0.00 1.74 1.74 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.23 4.67 0.00 1.51 1.48 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.30 4.39 0.00 3.98 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 44 D 8.38 4.69 0.00 2.95 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 45 K 7.83 4.11 0.00 2.02 1.87 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.25 7.81 46 V 7.20 3.76 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 0.59 0.00 0.00 0.87 0.00 0.00 47 S 8.94 4.17 0.00 3.97 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 48 R 8.63 4.60 0.00 1.95 2.00 0.00 3.48 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 49 E 8.27 4.00 0.00 2.05 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 0.00 2.37 2.33 0.00 50 L 7.94 3.85 0.00 1.49 1.45 0.61 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.02 4.92 0.00 2.96 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 52 P 0.00 4.75 0.00 2.11 2.00 0.00 3.90 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 2.12 1.93 0.00 53 V 8.34 4.72 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 0.76 0.00 0.00 0.97 0.00 0.00 54 V 9.15 4.71 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 0.77 0.00 0.00 1.09 0.00 0.00 55 H 8.87 5.46 0.00 3.02 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.11 4.52 1.97 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 0.85 0.00 0.00 57 G 9.43 3.91 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 0.00 0.00 0.00 58 D 9.53 5.04 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.71 0.00 1.76 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 2.14 0.00 60 S 8.18 5.26 0.00 3.65 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 61 W 9.52 5.29 0.00 3.22 3.18 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 62 R 9.82 4.75 0.00 1.80 1.94 0.00 3.36 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 63 M 9.14 4.60 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 64 M 9.20 4.92 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.96 0.00 65 T 8.42 3.89 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 1.09 0.00 0.00 66 T 7.94 3.83 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 1.08 0.00 0.00 67 D 7.52 4.84 0.00 2.74 2.73 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 68 M 7.48 4.44 0.00 2.09 2.08 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 2.55 2.58 0.00 69 A 8.33 4.57 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 70 S 8.41 4.90 0.00 3.70 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 71 V 8.25 4.52 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 0.50 0.00 0.00 0.56 0.00 0.00 72 P 0.00 4.79 0.00 2.19 1.96 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 73 V 8.48 3.60 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 0.85 0.00 0.00 0.89 0.00 0.00 74 S 8.18 4.33 0.00 4.03 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 75 V 7.87 4.19 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 0.80 0.00 0.00 1.26 0.00 0.00 76 I 8.15 4.81 1.96 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 1.47 0.76 0.68 0.00 0.00 77 G 9.06 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 78 E 9.04 4.77 0.00 2.14 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 0.00 2.24 2.15 0.00 79 E 8.73 4.04 0.00 1.74 1.68 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 1.53 2.29 0.00 80 V 8.37 4.37 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 0.64 0.00 0.00 0.79 0.00 0.00 81 A 7.27 4.45 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.47 4.90 0.00 2.56 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 83 L 9.06 4.54 0.00 1.68 1.52 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.27 4.02 0.00 4.10 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.02 4.25 0.00 3.25 3.43 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.78 4.43 0.00 1.73 1.86 0.00 3.30 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.68 0.00 87 E 7.33 3.22 0.00 1.40 1.68 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 2.23 2.17 0.00 88 N 7.92 4.28 0.00 2.86 2.84 0.00 0.00 7.14 8.08 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 89 D 7.96 4.38 0.00 2.70 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 90 I 7.74 3.70 2.02 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 1.44 1.06 1.10 0.00 0.00 91 K 8.30 3.97 0.00 1.99 2.05 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.59 7.81 92 N 8.46 4.36 0.00 2.93 2.86 0.00 0.00 6.88 7.65 0.00 0.00 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 A 7.93 4.30 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.65 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 1.05 0.00 0.00 95 N 8.48 4.48 0.00 2.92 3.16 0.00 0.00 6.74 7.31 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 96 L 7.69 4.15 0.00 1.69 1.94 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.50 3.90 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.86 0.00 98 F 7.23 3.84 0.00 1.54 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 99 W 7.48 5.17 0.00 3.37 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 0.00 100 G 8.88 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 I 7.62 3.95 1.87 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 1.27 0.60 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.