NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4151 8.1627 120.3478 55.6199 34.5634 177.2853 5 D 4.1274 7.9840 117.7461 57.2123 41.2073 176.5472 6 H 4.4313 8.8293 117.5779 58.7718 29.2460 177.4490 7 R 3.9424 7.9225 119.6347 59.2381 29.9235 178.9605 8 I 3.7317 7.6812 119.3244 64.3303 37.0965 178.2864 9 E 4.5121 8.2063 120.8292 58.9458 29.1801 179.4512 10 R 3.6741 7.8972 118.7205 59.2457 30.0096 178.5894 11 L 3.9721 7.7528 118.6940 57.7709 41.7056 179.3442 12 E 3.9692 8.3927 118.8214 59.4394 29.3761 178.8000 13 Y 4.6305 7.8448 120.9636 60.5708 38.9122 177.5941 14 Y 4.2505 8.0545 118.0136 61.0289 37.8753 178.5470 15 I 3.7656 8.2116 121.2575 64.4721 37.0867 178.3778 16 Q 4.0655 8.0876 118.9055 58.9005 28.4549 179.1351 17 L 3.9207 7.8008 119.8709 57.7919 41.6687 179.4580 18 L 3.9889 8.3487 119.5609 57.7639 41.6548 180.0112 19 V 3.7299 8.2890 119.4044 64.6051 31.0020 178.3178 20 K 4.1999 7.7188 117.7314 58.2866 31.9772 177.5779 21 T 4.3336 7.7759 108.3919 61.2984 69.4040 175.2724 22 V 3.6656 7.3197 123.0720 62.6806 32.1537 175.0827 23 D 4.4736 8.7449 126.0850 54.4598 40.4657 176.4585 24 M 4.3147 8.5699 126.6522 57.1526 32.1305 177.2197 25 D 4.6108 8.3603 118.0295 55.0234 41.5094 177.2323 26 R 4.1034 7.6934 117.2051 56.8953 32.6294 175.9729 27 Y 4.9284 7.8745 115.0920 56.0660 38.9364 175.5859 28 P 4.3944 0.0000 0.0000 65.8668 31.6391 177.4463 29 F 4.3364 8.3589 120.1381 61.5482 39.6010 176.6488 30 Y 4.2464 8.3803 116.2476 60.9951 37.5276 178.3946 31 A 4.0646 8.2221 121.9073 54.9317 18.3964 179.4072 32 L 3.9011 8.0814 118.9899 58.2742 42.1959 179.0943 33 L 3.8522 7.6763 118.8204 57.8745 41.5507 179.7434 34 I 3.6395 7.5214 118.9974 64.4628 36.8875 177.8884 35 D 4.3792 8.1361 117.7771 57.1973 41.1348 177.6999 36 K 4.3548 8.2021 115.9738 55.8072 32.3495 177.1404 37 G 3.8833 7.8582 107.3081 46.3580 0.0000 174.2281 38 L 4.3385 7.6976 119.2886 54.0466 42.3419 178.0789 39 S 4.5061 9.1658 118.3554 57.2045 65.5340 175.4472 40 K 3.8757 8.4110 121.7229 59.8018 31.8350 178.2816 41 E 3.9915 8.1307 118.2631 59.4452 29.4528 179.1113 42 E 4.0783 8.2851 118.7467 59.2409 29.4166 179.5298 43 G 3.6875 8.4819 106.1890 48.0603 0.0000 175.5877 44 E 4.0868 8.6654 121.5554 58.9888 29.5193 179.3391 45 A 4.0358 8.2826 120.9571 54.9450 18.3670 179.8841 46 V 3.5627 7.8642 116.7896 66.5602 31.7118 178.1858 47 M 4.1467 8.0217 118.2931 58.5635 31.7874 178.9882 48 R 4.3025 8.1482 119.5388 58.7364 30.1608 179.2094 49 I 3.7283 7.7406 119.4677 64.5956 37.0712 178.2715 50 C 3.8384 7.9458 117.5566 62.5700 27.5184 175.7358 51 D 4.4533 8.3832 120.7214 57.6903 40.4415 178.8179 52 E 4.0630 8.2765 118.7885 59.5259 29.4749 179.5706 53 L 4.0511 8.1553 118.9966 57.5238 41.5616 179.7479 54 S 3.9844 8.1263 115.5192 61.5795 62.7461 176.5169 55 E 3.9244 8.4006 121.5468 59.3085 29.1039 179.0476 56 E 3.8828 8.4505 119.8507 58.9601 29.6036 178.5800 57 L 3.6367 8.2600 120.5970 58.0663 42.1690 178.7709 58 A 3.9150 8.0499 120.8078 55.4139 18.3250 179.7363 59 T 3.8391 8.0409 114.1780 67.0189 68.6033 176.9716 60 Q 4.4250 8.4363 120.2791 58.8891 28.6938 178.8218 61 K 4.3628 8.5510 119.7736 59.7539 31.9317 179.1667 62 A 4.0857 7.9562 119.5354 55.0826 18.3840 178.8720 63 Q 4.3181 7.9309 113.8114 56.4797 29.0766 176.9471 64 G 3.9835 8.1090 108.8879 45.1009 0.0000 173.9400 65 F 4.3102 8.1837 118.0641 57.3190 39.4088 175.8808 66 V 4.3666 8.1742 114.8843 60.8105 33.3343 175.7285 67 T 4.3105 6.9792 109.2740 59.7515 71.3756 173.6544 68 F 5.0018 8.1862 122.0702 56.3848 40.7573 176.5953 69 D 4.4673 8.6791 123.0987 57.8004 40.5515 178.2341 70 K 3.8888 8.1393 119.2145 59.4606 32.0774 178.5910 71 L 4.0780 8.2192 119.5088 57.6244 41.4665 179.1718 72 L 2.9620 7.8450 120.2006 57.6664 41.9759 178.8270 73 A 3.8968 7.8143 120.2639 55.1547 18.2543 179.4226 74 L 3.9382 8.0809 117.5259 57.7384 41.6802 179.5546 75 F 4.1029 8.2798 120.3626 61.3808 39.1716 177.1151 76 A 3.9310 8.1947 119.4951 55.0162 18.1862 179.5804 77 G 3.5814 8.0464 103.4776 46.9248 0.0000 174.7636 78 Q 4.3750 7.4315 119.1429 55.0674 30.5186 175.5634 79 L 3.6528 7.0635 121.9394 54.6733 42.6575 175.8226 80 N 4.0617 8.8115 123.1374 53.9335 39.0024 175.0672 81 E 4.0969 8.8633 123.6652 59.0858 29.6141 178.2631 82 K 4.1547 8.7619 118.2597 57.7642 32.3325 176.7247 83 L 4.7800 7.8243 119.1558 52.7779 44.0899 175.8512 84 D 4.7291 8.3352 120.5114 53.0977 43.4210 177.2660 85 V 3.6526 8.3532 126.3795 66.6141 31.6970 177.8123 86 H 3.7975 8.3067 115.1627 58.9059 28.6791 177.1236 87 E 4.2021 8.7627 120.8769 59.8056 29.4322 179.0446 88 T 4.1422 8.3178 115.7790 66.7449 68.5396 176.7617 89 I 3.6893 7.9143 121.6716 64.5533 37.0487 178.6118 90 F 4.6610 8.1050 118.3385 60.4202 38.6770 177.7412 91 A 4.1575 8.4362 120.5900 55.1720 18.2539 179.6245 92 L 3.8022 8.4572 117.9791 58.0131 41.7192 178.9971 93 Y 4.1518 8.4868 119.7273 61.0873 38.5791 178.2507 94 E 3.8135 8.4918 118.1173 58.9800 29.6297 178.3222 95 Q 4.3165 7.3258 118.6211 55.4139 29.2605 176.2598 96 G 3.7426 7.6824 106.8658 46.0477 0.0000 173.3117 97 L 4.1559 7.6267 118.5468 54.1546 43.6219 176.2311 98 Y 3.5823 7.4298 117.2487 58.4244 35.5191 172.9834 99 Q 4.0266 7.9004 123.1240 59.5059 29.3960 177.0527 100 E 3.9146 8.0452 118.7681 59.3858 29.5367 178.9815 101 L 3.4603 7.6248 119.6564 58.2683 42.1734 178.7002 102 M 3.7907 8.0745 118.8575 58.3712 31.8642 178.6455 103 E 3.9220 8.2164 118.7535 59.1733 29.4936 179.6034 104 V 3.6612 7.4379 118.2924 65.8373 31.4826 178.1867 105 F 4.4515 8.0792 117.7570 60.8060 38.7825 177.6888 106 I 3.6407 8.2770 119.7682 64.2579 36.9305 178.0488 107 D 4.3083 8.1754 118.8725 57.4321 41.2625 178.2767 108 I 3.9728 8.0876 120.4407 64.9389 37.1367 178.3757 109 M 4.2257 8.4468 119.6744 58.3741 31.5161 178.9842 110 K 4.0795 8.0281 117.8921 59.7542 32.2298 178.7822 111 H 4.2500 7.9262 115.3559 57.8165 28.6954 176.7945 112 F 4.7241 7.9349 117.0340 57.8853 40.1536 175.5159 113 D 4.6225 8.7689 123.1010 54.5647 40.6317 175.9559 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 4 M 8.16 4.42 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 5 D 7.98 4.13 0.00 2.84 2.52 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 0.00 0.00 0.00 0.00 6 H 8.83 4.43 0.00 3.20 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.92 3.94 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 8 I 7.68 3.73 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.89 0.00 0.00 9 E 8.21 4.51 0.00 2.16 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 2.30 2.44 0.00 10 R 7.90 3.67 0.00 1.85 1.84 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.98 0.00 11 L 7.75 3.97 0.00 1.92 1.71 0.93 0.98 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 12 E 8.39 3.97 0.00 2.18 2.01 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 2.33 2.48 0.00 13 Y 7.84 4.63 0.00 2.92 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 14 Y 8.05 4.25 0.00 3.11 2.80 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 15 I 8.21 3.77 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.87 0.91 0.00 0.00 16 Q 8.09 4.07 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.84 0.00 17 L 7.80 3.92 0.00 1.71 1.56 0.58 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.35 3.99 0.00 1.78 1.69 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.29 3.73 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 0.84 0.00 0.00 0.95 0.00 0.00 20 K 7.72 4.20 0.00 1.93 1.92 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.72 1.60 7.81 21 T 7.78 4.33 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 1.25 0.00 0.00 22 V 7.32 3.67 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 0.91 0.00 0.00 1.06 0.00 0.00 23 D 8.74 4.47 0.00 2.79 2.66 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 24 M 8.57 4.31 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 25 D 8.36 4.61 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 26 R 7.69 4.10 0.00 1.41 0.66 0.00 2.87 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 27 Y 7.87 4.93 0.00 3.02 2.86 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 28 P 0.00 4.39 0.00 2.38 2.58 0.00 3.73 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 2.36 2.06 0.00 29 F 8.36 4.34 0.00 3.24 3.33 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 30 Y 8.38 4.25 0.00 3.05 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 31 A 8.22 4.06 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 32 L 8.08 3.90 0.00 2.01 1.86 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.68 3.85 0.00 1.70 1.57 0.70 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.52 3.64 1.99 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 1.36 0.82 0.90 0.00 0.00 35 D 8.14 4.38 0.00 2.76 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 36 K 8.20 4.35 0.00 1.76 1.84 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.62 7.81 37 G 7.86 3.88 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 0.00 0.00 0.00 38 L 7.70 4.34 0.00 1.62 1.60 0.95 0.91 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 39 S 9.17 4.51 0.00 3.99 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 40 K 8.41 3.88 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.52 7.81 41 E 8.13 3.99 0.00 2.09 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 2.40 2.47 0.00 42 E 8.29 4.08 0.00 2.28 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 2.32 0.00 43 G 8.48 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 44 E 8.67 4.09 0.00 2.16 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 0.00 2.37 2.54 0.00 45 A 8.28 4.04 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 46 V 7.86 3.56 2.52 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 1.25 0.00 0.00 1.11 0.00 0.00 47 M 8.02 4.15 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 3.20 0.00 48 R 8.15 4.30 0.00 2.01 2.00 0.00 3.54 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 49 I 7.74 3.73 2.05 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 1.02 0.00 0.00 50 C 7.95 3.84 0.00 1.97 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 51 D 8.38 4.45 0.00 2.83 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 E 8.28 4.06 0.00 1.98 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 2.55 2.50 0.00 53 L 8.16 4.05 0.00 1.66 1.72 1.28 0.81 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 54 S 8.13 3.98 0.00 4.12 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 55 E 8.40 3.92 0.00 2.15 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 2.33 2.39 0.00 56 E 8.45 3.88 0.00 2.11 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 2.27 2.30 0.00 57 L 8.26 3.64 0.00 1.52 1.66 -0.35 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.05 3.91 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 59 T 8.04 3.84 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 1.25 0.00 0.00 60 Q 8.44 4.43 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.59 0.00 61 K 8.55 4.36 0.00 1.96 1.93 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.62 1.31 7.81 62 A 7.96 4.09 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 63 Q 7.93 4.32 0.00 2.50 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.60 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 64 G 8.11 3.98 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 0.00 0.00 0.00 65 F 8.18 4.31 0.00 3.34 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 66 V 8.17 4.37 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 0.78 0.00 0.00 0.85 0.00 0.00 67 T 6.98 4.31 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 1.11 0.00 0.00 68 F 8.19 5.00 0.00 3.07 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 69 D 8.68 4.47 0.00 2.71 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 70 K 8.14 3.89 0.00 1.85 1.81 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.59 7.81 71 L 8.22 4.08 0.00 2.21 2.04 0.94 0.36 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 72 L 7.85 2.96 0.00 1.33 1.60 0.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.81 3.90 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 74 L 8.08 3.94 0.00 1.92 1.76 0.93 0.82 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 75 F 8.28 4.10 0.00 3.14 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 76 A 8.19 3.93 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 77 G 8.05 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.43 4.38 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 79 L 7.06 3.65 0.00 0.85 1.16 0.68 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.81 4.06 0.00 2.74 2.72 0.00 0.00 6.95 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 81 E 8.86 4.10 0.00 2.09 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 0.00 2.26 2.33 0.00 82 K 8.76 4.15 0.00 1.81 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 83 L 7.82 4.78 0.00 1.67 1.62 1.03 0.94 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 84 D 8.34 4.73 0.00 2.83 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 85 V 8.35 3.65 2.11 0.00 0.00 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 0.88 0.00 0.00 86 H 8.31 3.80 0.00 3.56 3.60 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.76 4.20 0.00 2.25 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 2.45 2.51 0.00 88 T 8.32 4.14 4.60 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 1.54 0.00 0.00 89 I 7.91 3.69 1.61 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.65 0.00 0.00 90 F 8.10 4.66 0.00 3.21 3.10 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 91 A 8.44 4.16 1.69 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 92 L 8.46 3.80 0.00 1.82 1.69 0.86 -0.60 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 93 Y 8.49 4.15 0.00 3.10 3.31 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 94 E 8.49 3.81 0.00 2.08 1.98 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 2.70 2.54 0.00 95 Q 7.33 4.32 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.09 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 96 G 7.68 3.74 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 0.00 0.00 0.00 97 L 7.63 4.16 0.00 1.65 1.30 0.86 0.58 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 98 Y 7.43 3.58 0.00 3.00 2.82 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 99 Q 7.90 4.03 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 100 E 8.05 3.91 0.00 1.99 1.85 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 2.34 2.38 0.00 101 L 7.62 3.46 0.00 1.43 1.30 0.35 0.55 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 0.00 102 M 8.07 3.79 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 103 E 8.22 3.92 0.00 1.98 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 2.35 2.72 0.00 104 V 7.44 3.66 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 1.26 0.00 0.00 0.86 0.00 0.00 105 F 8.08 4.45 0.00 2.98 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 0.00 106 I 8.28 3.64 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 0.91 0.00 0.00 107 D 8.18 4.31 0.00 2.81 2.92 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 0.00 108 I 8.09 3.97 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.29 1.06 0.00 0.00 109 M 8.45 4.23 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 110 K 8.03 4.08 0.00 1.85 1.80 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.71 7.81 111 H 7.93 4.25 0.00 3.18 2.75 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.93 4.72 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.62 0.00 2.82 2.67 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