NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4065 8.3044 118.1944 54.7008 32.5716 174.4253 2 Q 3.8340 8.4797 121.1490 55.4657 29.4743 173.8597 3 N 4.7439 9.3133 124.3159 51.4079 39.9428 173.5021 4 I 4.0115 8.0795 124.6559 59.7276 37.6491 175.4608 5 P 4.4144 0.0000 0.0000 61.8488 33.2198 175.4171 6 P 4.2274 0.0000 0.0000 66.2361 31.2756 179.1272 7 Q 4.0403 8.0073 116.1436 58.7379 28.5862 178.6193 8 V 3.6975 7.6129 118.9799 65.7864 31.6809 177.9598 9 Q 3.9817 8.3908 117.9136 58.6708 28.3889 178.5951 10 A 3.9818 7.9314 122.0622 55.3351 18.3542 179.5940 11 M 3.9902 7.9313 117.2204 58.5366 32.1019 178.9810 12 L 4.1111 8.3890 119.6852 57.6615 41.7440 179.8960 13 G 3.5366 7.9780 105.7782 47.8443 0.0000 175.6751 14 Q 3.7907 8.2677 122.3530 58.4402 28.9822 177.9422 15 L 4.0730 8.2328 122.0201 58.2280 42.1683 178.6564 16 E 3.9844 8.1405 119.0402 59.2848 29.4835 178.9740 17 S 4.1170 7.9754 115.3694 61.7892 62.8733 176.2454 18 Y 4.4149 8.2334 119.8221 61.2177 37.5700 178.6218 19 Q 4.0935 8.3173 119.0566 59.1219 28.8890 178.9181 20 Q 4.0348 8.2348 119.0693 59.0235 28.7572 178.7515 21 Q 4.0395 8.3705 119.2499 58.8739 28.6950 178.6420 22 L 3.9677 8.5119 121.8386 58.0198 42.1490 178.5779 23 Q 3.9580 8.2229 119.6331 59.1772 28.8653 178.3605 24 L 4.0988 7.8506 120.9515 58.2628 42.1782 178.9675 25 V 3.8535 7.8145 119.5300 65.5112 31.3115 178.1582 26 V 3.6371 8.2235 118.3285 66.0851 31.3498 178.0872 27 Q 4.0039 8.1594 117.8752 58.9745 28.3023 178.7554 28 Q 3.9924 8.4112 119.6306 58.6839 28.6840 178.5778 29 K 4.0147 8.4812 121.1307 59.7448 32.2963 178.9638 30 Q 4.2796 8.3950 119.9673 58.0801 28.5306 178.6998 31 K 3.9315 8.0763 120.9168 59.4772 32.2335 179.0225 32 V 3.5897 7.7514 118.5476 66.2165 31.2997 177.9924 33 Q 3.9788 8.4915 118.1761 58.7240 28.4697 178.6221 34 L 4.0343 8.0387 121.3781 58.2704 42.1421 178.8674 35 E 4.2489 8.1053 119.9182 58.7995 29.3310 179.1768 36 L 3.9529 8.1854 120.5698 58.3571 42.1701 179.1947 37 T 3.8775 8.0950 115.7955 66.6430 68.0418 176.5602 38 E 3.9662 8.3961 120.3467 59.3547 29.4167 179.2926 39 A 4.0183 8.2346 120.9378 55.1186 18.3580 179.8763 40 K 3.9295 8.2638 117.0787 59.4452 32.1123 179.7656 41 K 3.9392 8.2168 118.6011 59.3904 31.8962 179.2619 42 A 4.0021 8.2156 121.1789 55.0310 18.2625 179.4618 43 L 3.8657 8.1783 119.0822 58.1413 41.9390 178.5126 44 D 4.3043 8.0606 117.1761 57.4957 41.3430 177.6889 45 E 4.0769 8.2016 119.5932 59.4343 29.6522 178.8616 46 I 3.7629 8.0771 120.1175 64.3451 36.9331 178.2762 47 E 4.0948 8.4939 119.2123 58.8310 29.3426 178.1904 48 S 4.3527 7.5052 112.0900 59.3193 63.6631 174.6744 49 L 4.2572 7.4305 121.8608 53.5527 42.1669 175.1060 50 P 4.4221 0.0000 0.0000 62.4592 31.9537 176.8854 51 D 4.2667 8.7703 120.0964 57.1079 41.0939 176.8149 52 D 4.7135 7.9097 115.5991 52.6027 39.7724 176.2119 53 A 4.0963 7.8692 123.6497 52.4040 18.8607 178.2306 54 V 3.8302 8.1582 121.4777 61.3049 32.6536 175.8211 55 V 4.5359 7.9434 122.6096 61.3170 34.8354 173.4488 56 Y 5.2015 8.8428 124.1010 55.9978 41.3557 174.7888 57 K 4.9070 9.3309 120.5415 55.3831 36.5196 175.1575 58 T 4.8235 8.4624 111.1728 60.3979 70.4738 175.0398 59 V 4.2325 8.4373 124.2693 61.4359 33.0600 176.6425 60 G 3.8614 8.0657 119.6446 46.9858 0.0000 172.7030 61 T 4.3138 8.7201 114.8741 61.2143 69.2190 174.1404 62 L 4.6736 7.8293 123.0322 53.4825 43.7124 175.4317 63 I 5.0529 8.0683 120.1487 59.8222 40.2802 175.4122 64 V 4.7417 8.5862 117.8435 59.0554 35.8882 175.0028 65 K 3.9976 8.6384 123.6005 56.9568 32.7892 176.3577 66 T 4.6577 8.3871 121.1090 61.3505 70.5613 172.2452 67 T 4.6770 8.2308 107.9861 58.8983 72.6081 174.5843 68 K 3.8570 8.6853 121.9602 59.9689 32.1499 178.3660 69 D 4.3682 8.0481 118.5013 57.3819 40.7507 178.9033 70 K 4.0010 8.0568 118.5352 59.2944 32.0658 179.3494 71 A 3.9938 8.0968 121.1863 54.9517 18.1957 179.8353 72 V 3.5044 7.9769 116.6044 66.0451 31.6529 178.0592 73 A 3.9771 8.0058 120.3883 55.4355 18.2775 179.5379 74 E 3.9675 8.3162 116.9689 59.4394 29.3904 179.6802 75 L 4.0436 8.0861 119.2238 57.5507 41.6739 179.5012 76 K 3.9584 8.4087 118.8996 59.5290 31.8857 179.2396 77 E 3.9893 8.3101 118.8530 59.1589 29.3150 179.2703 78 K 3.9137 8.0307 119.6805 59.6010 32.2143 178.9579 79 I 3.6896 7.9740 120.1985 64.1659 37.0329 177.8560 80 E 3.9038 8.5544 120.5977 59.6977 29.4601 178.9765 81 T 3.8411 8.1027 115.7232 66.8369 68.5736 176.6310 82 L 4.0389 8.1041 120.7953 57.8494 41.5751 179.5177 83 E 4.0873 8.4767 118.8028 59.1997 29.4800 179.5317 84 V 3.5952 7.7886 118.4073 66.0428 31.5935 178.3932 85 R 3.9431 8.0527 117.9111 58.9992 29.8418 178.7450 86 L 3.9307 8.3977 120.5887 58.2770 42.1031 178.7773 87 N 4.2944 8.3424 116.1926 56.2401 38.4909 177.2063 88 A 3.9941 7.8916 121.7133 55.2670 18.4219 179.7337 89 L 3.9834 7.9271 117.4620 57.9872 41.6168 179.6502 90 E 4.0070 8.4604 118.6870 59.2847 29.3127 179.6361 91 R 3.9256 8.0924 118.4132 59.2108 30.1260 179.0530 92 Q 3.9645 8.1729 117.9302 58.7801 28.6296 178.3061 93 E 3.9631 8.6403 123.1759 59.9381 29.6889 179.6374 94 K 3.9426 8.1816 123.6905 59.7845 31.7362 180.9283 95 K 4.1313 8.0326 119.7601 59.3359 31.8871 179.5345 96 L 3.8095 7.9186 119.2430 57.7315 41.5008 179.2804 97 N 4.2676 8.3560 116.7346 56.2107 38.3419 177.1182 98 E 3.9084 8.1314 120.8316 59.1024 29.6600 179.0278 99 K 3.8438 7.9321 118.6246 59.3048 31.9950 179.3623 100 L 4.0134 7.9386 119.4979 57.4184 41.4718 179.5106 101 K 3.9156 8.1364 119.5980 59.6714 32.2240 178.8220 102 E 3.9713 8.3684 119.1402 59.3476 29.3827 179.1883 103 L 4.0643 8.4073 120.8489 58.3053 42.1677 179.1025 104 T 3.9033 8.1814 115.7279 66.5097 68.3522 176.5033 105 A 4.0384 8.0650 122.7880 55.1929 18.3080 179.7618 106 Q 3.9646 8.1451 116.6671 59.0683 28.7959 178.9831 107 I 3.7057 7.8898 120.8261 64.5976 36.9184 178.5682 108 Q 4.0295 8.1620 118.8654 58.9115 28.2530 178.8469 109 S 4.0902 8.0806 113.3395 61.2758 62.5290 175.7565 110 A 4.1442 8.0983 122.7629 54.6937 18.2507 178.7236 111 L 4.3254 7.7625 114.5337 53.9865 42.3996 177.2605 112 R 3.9853 7.1220 120.6206 55.3192 30.5550 174.4833 113 P 4.3565 0.0000 0.0000 62.0309 32.0292 174.4771 114 P 4.4172 0.0000 0.0000 63.1467 31.2368 176.1649 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 8.30 4.41 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 2 Q 8.48 3.83 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 3 N 9.31 4.74 0.00 2.72 2.75 0.00 0.00 7.15 7.45 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 4 I 8.08 4.01 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 1.41 0.47 0.91 0.00 0.00 5 P 0.00 4.41 0.00 2.15 1.97 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 P 0.00 4.23 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 7 Q 8.01 4.04 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 8 V 7.61 3.70 2.19 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 1.16 0.00 0.00 0.93 0.00 0.00 9 Q 8.39 3.98 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 10 A 7.93 3.98 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 11 M 7.93 3.99 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.59 0.00 12 L 8.39 4.11 0.00 1.82 1.72 0.92 0.85 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 13 G 7.98 3.54 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 0.00 0.00 0.00 14 Q 8.27 3.79 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.07 1.63 0.00 15 L 8.23 4.07 0.00 1.95 1.87 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.14 3.98 0.00 2.11 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 0.00 2.30 2.35 0.00 17 S 7.98 4.12 0.00 3.85 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 18 Y 8.23 4.41 0.00 3.17 2.83 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 19 Q 8.32 4.09 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 20 Q 8.23 4.03 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 21 Q 8.37 4.04 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 22 L 8.51 3.97 0.00 1.78 1.90 0.91 0.74 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 23 Q 8.22 3.96 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 24 L 7.85 4.10 0.00 1.84 1.85 0.93 0.88 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 25 V 7.81 3.85 2.20 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 1.09 0.00 0.00 0.99 0.00 0.00 26 V 8.22 3.64 2.28 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 1.07 0.00 0.00 0.96 0.00 0.00 27 Q 8.16 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 28 Q 8.41 3.99 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 29 K 8.48 4.01 0.00 1.88 1.96 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 Q 8.40 4.28 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 31 K 8.08 3.93 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.44 7.81 32 V 7.75 3.59 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 1.05 0.00 0.00 0.98 0.00 0.00 33 Q 8.49 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 34 L 8.04 4.03 0.00 1.84 1.83 0.92 0.75 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 35 E 8.11 4.25 0.00 2.24 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 2.29 0.00 36 L 8.19 3.95 0.00 1.84 1.84 0.92 0.82 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 37 T 8.09 3.88 4.39 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 1.21 0.00 0.00 38 E 8.40 3.97 0.00 2.14 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 2.59 0.00 39 A 8.23 4.02 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 40 K 8.26 3.93 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 41 K 8.22 3.94 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 42 A 8.22 4.00 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 43 L 8.18 3.87 0.00 1.76 1.84 0.97 1.27 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 44 D 8.06 4.30 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.20 4.08 0.00 2.09 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 2.31 2.35 0.00 46 I 8.08 3.76 1.87 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 1.76 0.74 0.91 0.00 0.00 47 E 8.49 4.09 0.00 2.09 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 2.34 2.52 0.00 48 S 7.51 4.35 0.00 3.93 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 49 L 7.43 4.26 0.00 1.75 1.64 0.93 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 50 P 0.00 4.42 0.00 2.42 2.17 0.00 3.72 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 2.07 1.95 0.00 51 D 8.77 4.27 0.00 2.63 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 52 D 7.91 4.71 0.00 2.80 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 53 A 7.87 4.10 1.35 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 0.00 0.00 54 V 8.16 3.83 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 0.80 0.00 0.00 0.89 0.00 0.00 55 V 7.94 4.54 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 1.01 0.00 0.00 0.91 0.00 0.00 56 Y 8.84 5.20 0.00 2.86 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 57 K 9.33 4.91 0.00 1.75 1.88 0.00 1.30 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 58 T 8.46 4.82 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 1.23 0.00 0.00 59 V 8.44 4.23 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 1.05 0.00 0.00 0.95 0.00 0.00 60 G 8.07 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 61 T 8.72 4.31 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 1.21 0.00 0.00 62 L 7.83 4.67 0.00 1.85 1.62 0.93 0.79 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 63 I 8.07 5.05 1.85 0.00 0.00 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 1.42 0.60 0.91 0.00 0.00 64 V 8.59 4.74 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 0.70 0.00 0.00 0.96 0.00 0.00 65 K 8.64 4.00 0.00 1.67 1.58 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.03 0.49 7.81 66 T 8.39 4.66 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 1.20 0.00 0.00 67 T 8.23 4.68 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 1.16 0.00 0.00 68 K 8.69 3.86 0.00 1.82 1.83 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.50 1.53 7.81 69 D 8.05 4.37 0.00 2.79 2.69 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 70 K 8.06 4.00 0.00 1.82 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 71 A 8.10 3.99 1.35 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 0.00 0.00 72 V 7.98 3.50 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 1.12 0.00 0.00 1.00 0.00 0.00 73 A 8.01 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 74 E 8.32 3.97 0.00 2.16 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 2.49 0.00 75 L 8.09 4.04 0.00 1.94 1.71 0.95 0.77 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 76 K 8.41 3.96 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 77 E 8.31 3.99 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 2.44 0.00 78 K 8.03 3.91 0.00 1.85 1.96 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 1.44 1.48 7.81 79 I 7.97 3.69 2.02 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 1.41 0.49 0.91 0.00 0.00 80 E 8.55 3.90 0.00 2.03 2.20 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 2.31 2.36 0.00 81 T 8.10 3.84 4.41 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 1.21 0.00 0.00 82 L 8.10 4.04 0.00 1.81 1.72 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.48 4.09 0.00 2.14 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 2.52 0.00 84 V 7.79 3.60 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 1.03 0.00 0.00 0.97 0.00 0.00 85 R 8.05 3.94 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 86 L 8.40 3.93 0.00 1.79 1.82 0.92 0.67 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 87 N 8.34 4.29 0.00 2.92 2.85 0.00 0.00 6.95 6.68 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 88 A 7.89 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.98 0.00 1.87 1.73 0.94 1.01 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 90 E 8.46 4.01 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 2.32 2.51 0.00 91 R 8.09 3.93 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 92 Q 8.17 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 93 E 8.64 3.96 0.00 2.00 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 2.29 2.32 0.00 94 K 8.18 3.94 0.00 1.80 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 95 K 8.03 4.13 0.00 1.97 1.83 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 96 L 7.92 3.81 0.00 1.78 1.63 0.95 0.42 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 97 N 8.36 4.27 0.00 2.83 2.83 0.00 0.00 6.65 8.22 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 98 E 8.13 3.91 0.00 2.05 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 2.27 2.43 0.00 99 K 7.93 3.84 0.00 1.34 1.16 0.00 1.32 0.00 0.00 1.14 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.47 7.81 100 L 7.94 4.01 0.00 1.80 1.71 0.92 0.93 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 0.00 101 K 8.14 3.92 0.00 1.88 1.96 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 102 E 8.37 3.97 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 2.32 2.54 0.00 103 L 8.41 4.06 0.00 1.93 1.81 0.98 0.92 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 0.00 104 T 8.18 3.90 4.42 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 1.22 0.00 0.00 105 A 8.07 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 0.00 106 Q 8.15 3.96 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 107 I 7.89 3.71 2.03 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 1.53 1.00 0.92 0.00 0.00 108 Q 8.16 4.03 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 109 S 8.08 4.09 0.00 3.93 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 0.00 110 A 8.10 4.14 1.35 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 0.00 0.00 111 L 7.76 4.33 0.00 1.64 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.12 3.99 0.00 1.97 1.94 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 113 P 0.00 4.36 0.00 2.08 1.98 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 114 P 0.00 4.42 0.00 2.17 2.04 0.00 3.79 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 1.99 1.96 0.00