NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4327 8.3349 115.4127 57.8094 63.5673 173.4639 2 K 4.1153 8.4600 125.0420 56.0370 32.8759 175.5724 3 T 4.2509 8.4264 117.0277 65.0688 71.0255 174.9919 4 N 4.3537 7.9754 120.7673 53.1010 39.3061 173.6213 5 P 4.3420 0.0000 0.0000 65.3590 31.4087 178.9163 6 R 3.8620 8.6947 117.8071 59.1665 30.2801 178.4131 7 L 4.0740 8.2078 119.5433 58.3972 41.9648 178.9660 8 S 4.0476 8.0109 112.7264 61.5444 62.4295 176.2333 9 S 4.1082 8.0554 117.7752 61.3598 62.5849 176.2386 10 L 3.8488 8.3820 123.3260 58.5180 41.8793 179.0036 11 I 3.6772 7.5803 118.6292 64.5850 37.0831 178.3236 12 A 4.0291 7.8402 120.9610 55.1625 18.2123 179.4444 13 D 4.2764 8.4713 117.9054 57.5096 40.8793 178.9000 14 L 3.8905 8.3458 119.8552 57.6058 41.4538 179.8882 15 K 3.9415 7.8557 117.9257 59.6407 32.0983 179.0472 16 S 4.0486 8.1504 113.1024 61.7995 62.1032 176.3243 17 A 4.0776 8.2027 122.9320 54.9936 17.9123 179.4317 18 A 4.2088 7.9390 118.4167 54.6485 18.5100 179.7788 19 R 4.1683 8.0145 116.2943 59.4502 30.6335 178.7479 20 S 4.2492 8.2435 113.8784 62.5194 63.2518 176.6758 21 S 4.4903 8.1499 116.9852 58.6237 63.4496 174.8863 22 G 4.0911 8.5285 110.2782 45.8263 0.0000 173.7812 23 G 3.8254 8.0203 108.5256 44.3393 0.0000 174.0425 24 A 4.5619 7.9107 118.5572 52.0908 21.3772 179.0376 25 V 3.5118 7.5338 109.0854 64.2910 31.5284 178.4340 26 W 4.9383 7.7202 118.3238 60.1166 28.4721 178.6015 27 G 3.7458 8.2020 104.6149 47.1409 0.0000 175.2355 28 D 4.3607 8.1045 120.7435 57.2759 41.1881 178.4583 29 V 3.6149 8.7203 119.4553 65.8801 31.3595 177.6361 30 A 3.9952 8.0148 119.5887 55.3295 18.3637 179.3833 31 E 4.0405 7.8287 116.0224 59.7468 29.5573 179.4625 32 R 3.9350 7.7810 118.3023 59.4960 29.8161 178.4809 33 L 3.8050 8.0309 118.3020 57.3552 41.6862 178.7922 34 E 4.1881 7.9354 117.5152 57.5565 29.6158 177.4524 35 K 4.3259 6.9878 118.1672 54.7147 33.1064 174.9017 36 P 4.2817 0.0000 0.0000 62.9986 31.9305 177.9906 37 R 3.4318 8.6128 120.7303 59.1612 30.2259 179.2689 38 R 3.9605 7.9176 113.4886 59.0014 29.4670 177.7053 39 T 4.1374 7.8544 107.6481 63.2519 69.3562 174.7908 40 H 4.3496 7.7139 119.1288 55.6380 29.4620 174.4062 41 A 4.2919 8.0229 122.2859 51.9296 19.7224 176.7557 42 E 4.9013 8.7748 121.1239 54.2313 31.2770 174.3919 43 V 4.4493 8.5415 123.8756 60.9322 34.7025 174.4866 44 N 5.7717 8.4561 123.7189 51.4944 40.5379 176.1148 45 L 4.1238 8.7204 120.3905 58.1238 41.8210 179.8649 46 G 3.8476 7.9733 105.3539 47.9755 0.0000 175.3572 47 R 4.2791 7.9794 119.8247 58.8980 30.2268 178.5861 48 I 3.8535 7.6347 119.4623 64.2205 37.0035 177.6377 49 E 3.9491 8.4052 119.7641 59.3118 29.4466 178.5598 50 R 3.9217 7.3889 116.6739 58.1611 30.1861 176.4212 51 Y 4.6391 7.6033 112.3564 57.3721 38.9861 175.1799 52 A 4.6985 7.8738 123.4174 50.8734 20.2841 177.1941 53 Q 4.6277 8.1390 117.0585 53.7888 31.7169 174.9200 54 E 3.8926 8.7248 119.7349 58.1883 30.0004 176.6078 55 D 4.4031 8.8672 119.2717 54.8624 38.4036 173.2509 56 E 4.7264 7.7874 119.4515 54.3463 32.0397 175.6296 57 T 4.1606 8.6072 125.3395 63.9187 69.8089 173.8667 58 V 4.3681 9.0182 128.0203 62.4353 32.9442 174.7034 59 V 4.7559 9.1297 129.0675 61.2654 33.6762 174.3047 60 V 4.8015 9.0155 129.2737 59.0813 33.4952 174.3604 61 P 4.7442 0.0000 0.0000 60.9644 30.8889 175.4758 62 G 4.0992 7.3532 118.7831 47.2016 0.0000 176.3359 63 K 4.9762 9.5469 127.0994 54.2026 35.9104 173.4589 64 V 4.7386 8.1134 125.9613 61.4635 33.5480 174.5739 65 L 4.9891 9.1956 127.6300 52.4798 44.9840 176.9239 66 G 3.8302 8.5696 107.2976 47.0595 0.0000 173.6466 67 S 4.4281 8.2620 117.3495 59.0952 64.3024 175.4061 68 G 4.1342 8.9993 110.4508 44.7126 0.0000 172.1337 69 V 4.3944 7.9323 116.9367 60.6308 33.8432 174.5167 70 L 4.9163 8.4657 127.4198 53.4661 44.2074 175.5778 71 Q 4.5088 10.1306 125.4706 56.6215 31.0164 176.8498 72 K 3.9997 8.2274 117.0829 56.7599 32.4313 177.4509 73 D 5.6418 8.5992 124.3274 53.2668 39.2519 174.6949 74 V 4.5112 7.7374 114.9249 59.2258 36.2288 174.7104 75 T 4.7340 8.4017 119.8079 62.7679 70.0512 173.7192 76 V 4.8629 8.6078 127.0977 61.0925 34.0660 174.2407 77 A 5.9400 9.9425 129.3472 49.5714 20.1450 174.6918 78 A 5.2268 8.3786 122.2667 49.1785 22.5067 176.8435 79 V 3.7721 8.4246 119.1037 65.9915 32.1999 175.4387 80 D 4.5966 6.8941 117.6751 53.7162 45.2509 174.6932 81 F 5.4788 8.9355 120.2567 55.3421 42.8828 175.2096 82 S 4.3528 9.0437 116.6793 57.9935 63.7860 175.4520 83 G 3.7232 8.9090 107.5652 48.4862 0.0000 176.1476 84 T 3.9301 7.8964 117.2229 66.2142 68.5055 176.2957 85 A 3.9980 8.2053 122.7980 55.5137 18.3500 179.1705 86 E 3.6476 8.3471 117.2669 59.6152 29.2710 179.5435 87 T 3.8870 7.2826 114.6096 66.5262 68.8665 176.6296 88 K 4.2595 8.4471 120.7260 59.5288 32.0755 179.4636 89 I 3.7288 8.0790 120.2259 64.5634 36.9665 178.0752 90 D 4.8628 7.4261 118.4104 55.8718 40.6128 178.1898 91 Q 4.2748 7.6925 118.7294 57.6387 29.1124 176.9320 92 V 4.5293 7.5727 110.8269 60.0488 34.0232 174.6987 93 G 4.2257 7.3832 107.7733 45.8073 0.0000 173.3999 94 E 4.8944 8.4354 125.0076 54.7654 33.1279 174.7839 95 A 4.7093 9.0907 130.3958 51.2649 19.5637 176.5632 96 V 4.5963 9.1857 122.2819 60.9200 35.8070 175.0411 97 S 5.1409 8.5479 118.9093 57.4871 64.3832 175.3480 98 L 3.9146 8.3967 121.5848 57.8614 41.0735 179.6109 99 E 3.8200 8.0546 117.5016 58.9388 29.5408 178.8585 100 Q 4.1032 7.6879 118.0964 58.5804 29.0847 177.7724 101 A 4.0403 8.0058 121.8743 55.6687 17.9707 179.7679 102 I 3.0276 7.6621 118.0542 63.7766 36.7138 178.0988 103 E 4.0945 7.9854 119.6698 58.8552 29.8983 177.8864 104 N 4.5817 8.0806 114.6118 55.2267 40.2162 175.0422 105 N 5.1468 8.4604 118.6409 51.0646 39.3636 172.5905 106 P 4.6948 0.0000 0.0000 65.3574 31.7773 178.1343 107 E 4.1250 8.4441 115.2342 56.1349 29.5852 176.9380 108 G 3.4898 8.4548 104.2653 45.9926 0.0000 172.5276 109 S 4.5515 8.2091 117.2238 57.2572 66.6513 173.7441 110 H 4.0431 8.4601 114.5317 57.0959 26.1478 174.5112 111 V 4.9153 7.7055 116.6812 59.8339 34.0705 174.6796 112 R 4.5372 9.0171 124.7674 54.4505 32.1721 174.8329 113 V 4.4623 8.3553 126.8276 62.7599 32.1048 175.1436 114 I 4.8292 8.8109 127.7153 59.5458 41.6354 175.8164 115 R 4.1447 8.2874 120.9591 56.5646 29.3193 174.7565 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 S 8.33 4.43 0.00 3.99 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 2 K 8.46 4.12 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.43 4.25 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 4 N 7.98 4.35 0.00 2.72 2.72 0.00 0.00 7.21 7.71 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 5 P 0.00 4.34 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.69 3.86 0.00 1.93 1.96 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 7 L 8.21 4.07 0.00 1.75 1.69 0.93 0.68 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 8 S 8.01 4.05 0.00 4.01 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 9 S 8.06 4.11 0.00 4.01 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 10 L 8.38 3.85 0.00 1.66 1.84 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.58 3.68 2.08 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 1.45 0.94 0.91 0.00 0.00 12 A 7.84 4.03 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.47 4.28 0.00 2.75 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 14 L 8.35 3.89 0.00 1.84 1.92 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.86 3.94 0.00 2.02 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.70 7.81 16 S 8.15 4.05 0.00 3.89 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 17 A 8.20 4.08 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.94 4.21 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.17 0.00 1.81 2.01 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 20 S 8.24 4.25 0.00 3.89 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 21 S 8.15 4.49 0.00 4.17 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 22 G 8.53 4.09 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 0.00 0.00 0.00 23 G 8.02 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 24 A 7.91 4.56 1.19 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 25 V 7.53 3.51 1.67 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 0.65 0.00 0.00 -0.32 0.00 0.00 26 W 7.72 4.94 0.00 3.34 3.23 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 27 G 8.20 3.75 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 0.00 0.00 0.00 28 D 8.10 4.36 0.00 3.05 2.76 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 29 V 8.72 3.61 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 1.10 0.00 0.00 1.14 0.00 0.00 30 A 8.01 4.00 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 31 E 7.83 4.04 0.00 2.27 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 2.33 0.00 32 R 7.78 3.94 0.00 1.89 2.04 0.00 3.32 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 8.03 3.81 0.00 1.77 1.68 0.89 1.03 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 34 E 7.94 4.19 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 2.35 2.36 0.00 35 K 6.99 4.33 0.00 1.98 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.59 7.81 36 P 0.00 4.28 0.00 2.15 1.96 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.61 3.43 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 38 R 7.92 3.96 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.85 4.14 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 1.21 0.00 0.00 40 H 7.71 4.35 0.00 3.30 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.02 4.29 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 42 E 8.77 4.90 0.00 1.80 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 0.00 2.19 2.27 0.00 43 V 8.54 4.45 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 1.00 0.00 0.00 0.92 0.00 0.00 44 N 8.46 5.77 0.00 2.71 2.99 0.00 0.00 7.62 6.74 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 45 L 8.72 4.12 0.00 1.84 1.76 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.97 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.98 4.28 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 48 I 7.63 3.85 2.03 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 1.58 0.84 0.98 0.00 0.00 49 E 8.41 3.95 0.00 1.99 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 0.00 2.43 2.34 0.00 50 R 7.39 3.92 0.00 1.86 1.72 0.00 2.69 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.28 0.00 51 Y 7.60 4.64 0.00 2.91 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 52 A 7.87 4.70 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 53 Q 8.14 4.63 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 54 E 8.72 3.89 0.00 1.98 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 2.56 2.36 0.00 55 D 8.87 4.40 0.00 2.83 2.76 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 56 E 7.79 4.73 0.00 1.95 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 2.23 2.37 0.00 57 T 8.61 4.16 4.31 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 1.36 0.00 0.00 58 V 9.02 4.37 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 0.95 0.00 0.00 0.99 0.00 0.00 59 V 9.13 4.76 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 1.09 0.00 0.00 1.15 0.00 0.00 60 V 9.02 4.80 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 1.01 0.00 0.00 0.92 0.00 0.00 61 P 0.00 4.74 0.00 2.13 2.23 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 62 G 7.35 4.10 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 0.00 0.00 0.00 63 K 9.55 4.98 0.00 1.68 1.54 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.35 7.81 64 V 8.11 4.74 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 1.05 0.00 0.00 0.74 0.00 0.00 65 L 9.20 4.99 0.00 1.83 1.54 0.93 0.57 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 66 G 8.57 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 67 S 8.26 4.43 0.00 4.00 3.80 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 68 G 9.00 4.13 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 0.00 0.00 0.00 69 V 7.93 4.39 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 0.93 0.00 0.00 70 L 8.47 4.92 0.00 1.60 1.52 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.13 4.51 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.23 4.00 0.00 1.76 1.77 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.78 7.81 73 D 8.60 5.64 0.00 2.81 2.57 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 74 V 7.74 4.51 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 1.06 0.00 0.00 1.02 0.00 0.00 75 T 8.40 4.73 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 1.27 0.00 0.00 76 V 8.61 4.86 2.32 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 0.98 0.00 0.00 1.03 0.00 0.00 77 A 9.94 5.94 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 78 A 8.38 5.23 0.46 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 79 V 8.42 3.77 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 0.70 0.00 0.00 0.88 0.00 0.00 80 D 6.89 4.60 0.00 2.94 2.38 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 81 F 8.94 5.48 0.00 2.85 2.94 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 82 S 9.04 4.35 0.00 3.94 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 83 G 8.91 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 0.00 0.00 0.00 84 T 7.90 3.93 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 1.23 0.00 0.00 85 A 8.21 4.00 1.53 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 0.00 0.00 86 E 8.35 3.65 0.00 1.99 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 2.19 2.08 0.00 87 T 7.28 3.89 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 1.21 0.00 0.00 88 K 8.45 4.26 0.00 1.77 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 89 I 8.08 3.73 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.97 0.90 0.00 0.00 90 D 7.43 4.86 0.00 2.62 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 91 Q 7.69 4.27 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 92 V 7.57 4.53 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 0.72 0.00 0.00 0.97 0.00 0.00 93 G 7.38 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 0.00 0.00 0.00 0.00 94 E 8.44 4.89 0.00 1.95 1.75 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 2.16 2.22 0.00 95 A 9.09 4.71 0.54 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 96 V 9.19 4.60 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 0.99 0.00 0.00 97 S 8.55 5.14 0.00 4.20 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 98 L 8.40 3.91 0.00 1.69 1.58 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.05 3.82 0.00 1.87 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 2.27 2.39 0.00 100 Q 7.69 4.10 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 101 A 8.01 4.04 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 0.00 102 I 7.66 3.03 1.58 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.12 0.64 0.00 0.00 103 E 7.99 4.09 0.00 1.89 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 2.32 0.00 104 N 8.08 4.58 0.00 2.78 2.91 0.00 0.00 6.57 8.00 0.00 0.00 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 N 8.46 5.15 0.00 2.86 3.02 0.00 0.00 6.78 7.22 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 0.00 106 P 0.00 4.69 0.00 2.30 2.24 0.00 3.51 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 107 E 8.44 4.13 0.00 2.00 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 2.34 2.40 0.00 108 G 8.45 3.49 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 0.00 0.00 0.00 109 S 8.21 4.55 0.00 3.89 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 0.00 110 H 8.46 4.04 0.00 3.35 3.39 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.71 4.92 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 0.44 0.00 0.00 0.90 0.00 0.00 112 R 9.02 4.54 0.00 2.19 1.83 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 113 V 8.36 4.46 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 0.85 0.00 0.00 0.88 0.00 0.00 114 I 8.81 4.83 1.89 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 1.46 1.38 0.93 0.00 0.00 115 R 8.29 4.14 0.00 1.83 1.79 0.00 3.03 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00