NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8741 8.3393 109.7364 45.5434 0.0000 171.8461 2 D 4.7633 9.8899 119.5848 53.2951 37.6794 172.6227 3 T 4.4933 7.9454 112.6695 60.7222 71.3514 172.7558 4 S 5.0264 8.2553 114.3572 55.6090 66.9536 172.7411 5 P 4.3088 0.0000 0.0000 66.1425 31.1808 178.8479 6 A 4.0265 7.9905 118.7027 55.0539 18.3155 179.5805 7 Q 3.9492 7.7272 116.5542 58.7949 28.8825 178.3664 8 L 3.7724 8.0612 121.4389 58.0859 42.0875 179.0967 9 I 3.7828 7.9970 119.5728 64.4212 37.0238 178.0832 10 A 4.3497 7.3841 122.7621 54.6059 18.1484 179.9830 11 G 3.3793 7.9988 104.0491 48.1506 0.0000 175.6653 12 Y 4.3279 7.7033 119.1594 60.6232 37.3562 178.1872 13 E 4.0849 8.5465 119.5660 59.4906 29.4079 179.1852 14 A 4.0289 8.0065 119.2250 55.2382 18.5249 179.2214 15 A 4.1418 7.8753 117.6163 54.3653 18.7299 178.8490 16 A 4.3379 8.3003 117.7328 51.9030 19.0091 178.0129 17 G 3.8629 8.4688 104.2956 45.5727 0.0000 173.4684 18 A 4.5684 7.7024 119.4662 49.6431 21.9375 175.5093 19 P 4.4803 0.0000 0.0000 62.6775 31.8218 176.2527 20 A 4.2078 9.3174 123.5950 52.1913 19.0872 177.6356 21 D 4.7805 9.7480 120.2519 52.0481 43.2278 176.7496 22 A 4.1629 8.6146 130.2060 55.3206 18.4329 178.8260 23 E 3.8591 8.4373 117.2177 59.6478 29.5731 179.7582 24 R 4.0163 8.2048 117.7798 58.9963 30.0409 179.2315 25 G 4.1434 8.0126 107.1397 47.1119 0.0000 175.7554 26 R 2.5100 7.9100 121.2670 58.6385 29.7042 178.5370 27 A 3.8461 7.3854 119.1820 54.8110 18.6046 179.1528 28 L 3.9690 7.8941 118.8668 58.1907 40.8900 178.6870 29 F 3.9667 8.2749 120.9172 61.4723 39.1129 176.6721 30 L 4.0356 7.8229 115.4429 54.9480 41.8503 177.3305 31 S 4.3242 7.1858 113.8526 58.2794 63.7503 173.4338 32 T 4.6176 8.1800 117.5051 61.9377 69.6725 174.2159 33 Q 4.6625 9.2327 127.0340 54.3561 30.8503 175.8795 34 T 4.2895 8.4097 111.3510 62.3044 69.9590 175.6931 35 G 3.9347 8.0645 110.6619 46.4761 0.0000 172.9867 36 G 4.1918 7.2696 110.0899 44.5131 0.0000 174.9533 37 K 4.1120 9.1302 124.8465 55.8051 32.3212 176.3022 38 P 4.3106 0.0000 0.0000 64.9882 31.5490 176.9584 39 D 4.7164 8.0200 115.5383 53.5853 39.9186 176.8999 40 T 4.4996 7.4986 110.9454 59.4729 68.4609 172.2792 41 P 4.6657 0.0000 0.0000 64.3032 32.7248 176.2655 42 S 4.7065 7.4999 111.9605 56.0788 65.8924 174.5079 43 C 4.0177 7.8563 122.1930 62.7655 27.5685 176.4220 44 T 4.3433 7.5221 112.1383 63.6070 68.0589 176.4394 45 T 3.8386 7.4296 118.8336 66.7080 68.7500 174.9099 46 C 4.9102 7.7631 117.9680 60.6510 29.3585 175.2343 47 H 4.6920 8.0046 115.3098 55.1415 28.8830 176.5350 48 G 4.0614 7.9780 106.8428 45.1078 0.0000 174.1694 49 A 4.3684 8.4736 120.6804 53.4169 19.3554 177.0108 50 D 4.8497 8.0667 115.9057 52.9701 42.1544 176.4290 51 V 4.1130 8.2531 119.6108 61.8588 31.7241 177.2903 52 T 4.3264 8.1345 109.5659 61.6039 69.4535 174.6852 53 R 4.6254 7.5442 121.0729 53.9872 32.9244 175.1403 54 A 4.2967 8.4310 121.7191 52.6139 19.3070 177.9701 55 G 4.4001 8.7210 108.6649 45.8597 0.0000 172.3180 56 Q 5.8001 8.9148 116.1878 56.5391 32.4966 175.0368 57 T 4.6120 8.2492 113.9501 61.2318 70.7816 175.9936 58 R 4.0378 8.4571 118.7618 58.6570 29.4946 173.4267 59 T 4.3682 8.0019 104.3836 61.9768 69.0299 175.5124 60 G 3.9135 8.3583 112.9942 45.9013 0.0000 174.8808 61 K 4.1378 7.7880 122.0757 53.4333 32.4433 180.7058 62 E 4.0403 8.3839 122.2766 55.6005 29.5677 176.3220 63 I 4.5642 8.5322 127.3814 58.9598 40.0351 175.4890 64 A 4.3570 8.6513 128.6348 51.2179 19.0477 175.2398 65 P 4.4739 0.0000 0.0000 62.4668 31.5095 176.8209 66 L 4.0118 8.5140 121.5128 56.4643 42.4472 177.6130 67 A 4.0376 7.8369 123.0176 51.1868 18.6727 176.8464 68 P 4.4657 0.0000 0.0000 65.1013 31.6771 178.1945 69 S 4.1520 7.9859 111.7377 60.3092 63.2934 174.8751 70 A 4.2277 7.7167 122.6561 53.2700 19.6886 176.4461 71 T 4.3656 8.0796 110.4750 59.2383 68.1971 171.9936 72 P 4.2860 0.0000 0.0000 65.2822 31.5270 177.1572 73 D 4.7172 7.8439 114.9885 53.0352 39.5301 176.5408 74 R 3.5251 7.4503 118.9511 57.8614 30.3279 176.3826 75 F 4.1308 8.2441 118.6176 59.5361 36.5065 175.8862 76 T 4.8219 7.8980 106.9458 60.4535 69.9034 172.6733 77 D 5.4303 7.8385 121.7314 52.1312 43.6659 175.4902 78 S 4.2159 10.0166 124.8211 61.4542 62.9143 176.3978 79 A 4.0095 8.0985 123.8630 54.9034 18.2504 179.3055 80 R 3.9703 8.5056 117.3197 59.6201 30.0910 178.9055 81 V 3.8237 8.0698 117.9338 66.2824 31.5384 177.9034 82 E 4.0617 8.2275 117.8879 59.2354 29.2805 178.9433 83 K 3.7720 8.5684 120.1130 59.4699 32.1541 178.7957 84 W 4.2508 8.1880 118.8272 59.8963 29.1049 178.6317 85 L 4.2298 8.6502 119.4209 57.6684 40.5948 179.9228 86 G 3.5859 8.5263 106.1539 47.8376 0.0000 176.0900 87 R 3.9493 8.0917 120.7955 58.6645 30.1793 178.2343 88 N 4.9127 8.4951 115.9342 53.2096 39.0789 176.7651 89 C 4.3165 8.5710 119.5372 60.0301 38.3966 175.5007 90 N 4.4715 7.8356 117.5234 56.6229 37.6371 177.7205 91 S 4.1454 8.0363 116.2859 61.2482 62.6574 176.8466 92 V 4.0083 7.6278 121.1618 65.0674 31.6637 177.2016 93 I 3.9123 8.0749 117.7512 61.8641 37.4934 177.2638 94 G 4.0726 10.3607 107.7513 45.9686 0.0000 172.4938 95 R 4.4635 7.0303 113.7128 54.9810 31.7550 174.0487 96 D 4.5139 8.4098 118.2048 54.2560 41.3338 177.5676 97 C 4.6051 8.4391 120.0531 56.9844 42.0369 174.4026 98 T 4.3297 9.0058 114.0409 60.5181 70.7347 174.1161 99 P 4.2706 0.0000 0.0000 65.8229 31.3129 179.1757 100 G 3.6045 8.0214 103.8455 47.8611 0.0000 175.4408 101 E 3.9680 8.2331 121.1263 59.0193 29.4001 179.6074 102 K 3.7150 8.0791 118.4058 59.1031 31.9372 179.1691 103 A 4.0533 8.0153 121.0548 55.3814 18.3915 179.3360 104 D 4.3361 8.0351 117.2368 57.5271 40.8340 179.1752 105 L 4.1059 7.9920 119.2587 57.9809 41.6850 179.6870 106 L 3.6485 8.1116 118.8263 57.4651 41.2540 179.3380 107 A 3.9868 7.9353 120.0298 54.8352 18.7280 179.3179 108 W 4.2426 8.1022 126.1941 60.7267 30.9966 177.9742 109 L 3.3290 8.2387 119.0276 57.6120 40.9001 179.1947 110 A 4.3412 8.4575 118.4512 53.5871 18.3995 178.2319 111 A 4.4664 7.2973 117.5501 51.8144 19.4456 176.9607 112 Q 3.9250 7.6376 123.4080 56.4567 28.8668 175.7590 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 G 8.34 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 0.00 0.00 0.00 2 D 9.89 4.76 0.00 2.94 3.25 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 3 T 7.95 4.49 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 1.30 0.00 0.00 4 S 8.26 5.03 0.00 4.06 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 5 P 0.00 4.31 0.00 2.25 2.32 0.00 3.65 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 2.21 2.40 0.00 6 A 7.99 4.03 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 7 Q 7.73 3.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 8 L 8.06 3.77 0.00 2.06 1.69 0.86 1.07 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 9 I 8.00 3.78 1.89 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 1.48 0.55 0.95 0.00 0.00 10 A 7.38 4.35 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 11 G 8.00 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 0.00 0.00 0.00 12 Y 7.70 4.33 0.00 3.10 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 13 E 8.55 4.08 0.00 2.23 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 2.54 2.60 0.00 14 A 8.01 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 15 A 7.88 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.30 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.47 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 0.00 0.00 0.00 18 A 7.70 4.57 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 19 P 0.00 4.48 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 20 A 9.32 4.21 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 21 D 9.75 4.78 0.00 2.64 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 22 A 8.61 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 3.86 0.00 2.14 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 2.34 2.49 0.00 24 R 8.20 4.02 0.00 2.05 1.94 0.00 3.11 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 25 G 8.01 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 0.00 0.00 0.00 0.00 26 R 7.91 2.51 0.00 0.67 1.55 0.00 2.89 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 27 A 7.39 3.85 1.22 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 28 L 7.89 3.97 0.00 1.82 1.82 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.27 3.97 0.00 3.24 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 30 L 7.82 4.04 0.00 1.61 1.70 0.86 1.03 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 31 S 7.19 4.32 0.00 3.96 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 32 T 8.18 4.62 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 1.19 0.00 0.00 33 Q 9.23 4.66 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 34 T 8.41 4.29 4.23 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 1.20 0.00 0.00 35 G 8.06 3.93 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 0.00 0.00 0.00 36 G 7.27 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 0.00 0.00 0.00 0.00 37 K 9.13 4.11 0.00 1.94 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.29 7.81 38 P 0.00 4.31 0.00 2.04 2.10 0.00 3.66 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 2.02 2.06 0.00 39 D 8.02 4.72 0.00 2.78 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 0.00 40 T 7.50 4.50 4.23 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 1.21 0.00 0.00 41 P 0.00 4.67 0.00 2.21 2.31 0.00 3.68 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 2.02 1.93 0.00 42 S 7.50 4.71 0.00 3.87 3.62 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 43 C 7.86 4.02 0.00 1.94 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 0.00 0.00 0.00 44 T 7.52 4.34 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 1.25 0.00 0.00 45 T 7.43 3.84 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 1.19 0.00 0.00 46 C 7.76 4.91 0.00 2.73 2.84 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 47 H 8.00 4.69 0.00 3.56 3.62 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.98 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 49 A 8.47 4.37 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 50 D 8.07 4.85 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.11 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 0.63 0.00 0.00 0.43 0.00 0.00 52 T 8.13 4.33 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 1.15 0.00 0.00 53 R 7.54 4.63 0.00 2.06 1.84 0.00 3.26 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 54 A 8.43 4.30 1.22 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 55 G 8.72 4.40 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 0.00 56 Q 8.91 5.80 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 57 T 8.25 4.61 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 1.24 0.00 0.00 58 R 8.46 4.04 0.00 1.85 1.89 0.00 3.25 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 59 T 8.00 4.37 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 1.22 0.00 0.00 60 G 8.36 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 61 K 7.79 4.14 0.00 1.66 1.69 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.24 7.81 62 E 8.38 4.04 0.00 1.88 1.93 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 2.28 2.42 0.00 63 I 8.53 4.56 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.82 0.00 0.00 64 A 8.65 4.36 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 65 P 0.00 4.47 0.00 1.87 1.94 0.00 3.67 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 66 L 8.51 4.01 0.00 1.55 1.71 0.93 0.80 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 67 A 7.84 4.04 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 68 P 0.00 4.47 0.00 2.02 2.06 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 69 S 7.99 4.15 0.00 3.92 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 70 A 7.72 4.23 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 71 T 8.08 4.37 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 1.20 0.00 0.00 72 P 0.00 4.29 0.00 2.03 2.08 0.00 3.66 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 1.99 2.04 0.00 73 D 7.84 4.72 0.00 2.74 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 74 R 7.45 3.53 0.00 1.31 0.66 0.00 2.83 0.00 0.00 2.80 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 75 F 8.24 4.13 0.00 3.23 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 76 T 7.90 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 1.31 0.00 0.00 77 D 7.84 5.43 0.00 2.73 2.63 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 78 S 10.02 4.22 0.00 4.06 4.12 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 79 A 8.10 4.01 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 80 R 8.51 3.97 0.00 2.03 2.27 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 81 V 8.07 3.82 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 1.25 0.00 0.00 1.21 0.00 0.00 82 E 8.23 4.06 0.00 2.25 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 0.00 2.58 2.55 0.00 83 K 8.57 3.77 0.00 1.69 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.51 1.09 7.81 84 W 8.19 4.25 0.00 3.72 3.32 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 85 L 8.65 4.23 0.00 1.83 1.75 0.88 1.01 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 86 G 8.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.95 0.00 1.94 2.01 0.00 2.53 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 88 N 8.50 4.91 0.00 2.89 2.91 0.00 0.00 6.58 7.36 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 89 C 8.57 4.32 0.00 3.02 3.29 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 90 N 7.84 4.47 0.00 3.06 2.87 0.00 0.00 7.09 7.23 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 91 S 8.04 4.15 0.00 3.92 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 92 V 7.63 4.01 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 1.06 0.00 0.00 0.91 0.00 0.00 93 I 8.07 3.91 1.95 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 1.21 0.66 0.90 0.00 0.00 94 G 10.36 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 95 R 7.03 4.46 0.00 1.87 1.88 0.00 3.04 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 1.46 1.60 0.00 96 D 8.41 4.51 0.00 2.67 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 97 C 8.44 4.61 0.00 2.90 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 98 T 9.01 4.33 4.23 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 1.20 0.00 0.00 99 P 0.00 4.27 0.00 2.24 2.28 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 100 G 8.02 3.60 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 0.00 0.00 0.00 101 E 8.23 3.97 0.00 2.24 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 0.00 2.30 2.33 0.00 102 K 8.08 3.71 0.00 1.00 0.77 0.00 0.82 0.00 0.00 1.22 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.43 7.81 103 A 8.02 4.05 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 0.00 104 D 8.04 4.34 0.00 2.89 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 0.00 105 L 7.99 4.11 0.00 1.84 1.79 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.11 3.65 0.00 1.69 1.49 1.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.94 3.99 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 0.00 108 W 8.10 4.24 0.00 3.55 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 0.00 109 L 8.24 3.33 0.00 1.51 1.77 0.95 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.46 4.34 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 0.00 111 A 7.30 4.47 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 0.00 112 Q 7.64 3.93 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.49 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.