NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4280 8.2893 120.3266 55.2944 33.3716 174.1900 2 E 4.5621 8.1715 118.7949 53.4747 32.4016 172.8669 3 H 4.1956 8.6806 118.5344 55.8791 31.2302 175.8281 4 V 3.6610 8.3861 118.7419 63.2510 31.7438 175.5177 5 A 4.3854 8.4228 129.0853 51.1778 19.3704 177.5492 6 F 4.0937 8.6399 125.1326 61.1637 40.1820 176.7110 7 G 3.6276 8.3295 109.2363 46.8351 0.0000 173.6494 8 S 3.2844 7.2856 111.8218 58.8926 63.0430 170.9843 9 E 3.9511 8.9031 117.9840 58.5495 27.7965 177.1227 10 D 4.2244 7.9225 119.4694 54.4971 37.3447 174.5982 11 I 3.4923 7.4302 126.7969 63.9204 37.5288 177.4911 12 E 3.7050 7.6530 117.3851 59.6809 29.4524 178.9922 13 N 4.2867 8.0934 117.7820 56.5864 39.2560 176.6511 14 T 3.9921 7.8202 115.6233 65.3705 68.2935 175.8518 15 L 4.3012 7.7158 119.5666 55.5749 42.2685 177.8174 16 A 4.3515 7.6011 119.6060 53.0461 19.0079 177.5928 17 K 4.3188 7.3754 114.8924 55.1210 33.5738 174.7323 18 M 3.8776 7.8873 119.8080 54.8655 31.8839 175.7515 19 D 5.1406 7.9920 119.2274 53.0618 42.8971 174.0753 20 D 4.0939 8.4980 113.0083 57.9238 41.4409 176.7335 21 G 3.8833 8.0858 110.2026 46.5095 0.0000 173.8605 22 Q 3.1852 8.3315 111.2614 56.2302 26.9087 174.0032 23 L 3.5166 7.8355 115.4160 56.2778 40.6333 174.2702 24 D 4.5569 8.0677 115.1929 54.5436 41.1951 177.9635 25 G 3.7605 7.5859 107.5267 45.3633 0.0000 174.3856 26 L 4.1213 7.3341 120.6854 53.5842 43.1435 175.9154 27 A 4.7055 7.9826 118.4485 51.9468 21.0165 176.0936 28 F 5.6559 6.1401 110.3932 53.4636 40.1847 175.5642 29 G 4.0365 9.2171 110.9338 45.2065 0.0000 171.4821 30 A 5.2781 8.2744 124.3130 49.8559 21.2829 175.2862 31 I 5.3486 8.4026 114.9710 58.8174 41.2297 174.8093 32 Q 5.5150 8.5817 121.4374 54.6633 32.6191 173.9495 33 L 5.8585 8.5364 118.0677 54.2429 46.9343 174.7674 34 D 5.0077 8.4619 121.1619 53.2398 44.0049 178.1858 35 G 4.4423 7.4056 112.8095 44.8177 0.0000 174.4401 36 D 5.7869 8.9487 132.1071 55.3770 41.4366 178.4569 37 G 4.3713 8.1711 107.6124 46.6259 0.0000 172.2465 38 N 4.8926 8.3340 117.6052 51.6696 39.3201 174.4722 39 I 4.6619 7.7576 123.3718 61.3636 37.9708 175.3296 40 L 4.7052 8.5543 127.5228 56.0568 43.9640 176.0109 41 Q 4.6276 7.7759 117.2003 55.8030 31.7933 173.8178 42 Y 4.4973 8.7202 120.5782 56.8286 43.3075 175.7596 43 N 5.1324 8.9248 111.0056 54.4515 36.7682 174.0939 44 A 4.3315 8.3195 117.2640 53.4061 19.1579 178.4509 45 A 3.9022 8.0030 119.9267 55.2169 18.5053 179.2977 46 E 4.1343 8.1645 114.0078 59.3873 30.1018 179.4238 47 G 3.9318 7.8109 103.8924 46.6210 0.0000 174.6319 48 D 4.4994 7.8997 119.5229 56.6162 41.4748 178.1315 49 I 3.9300 7.3492 119.5855 64.4643 37.3410 177.5386 50 T 4.4352 7.9554 111.8262 62.2352 67.7983 175.5158 51 G 4.5589 8.5179 107.2178 44.9736 0.0000 174.2015 52 R 3.7977 7.1530 119.0339 59.1967 30.4482 174.9581 53 D 4.7195 8.0810 119.7428 53.2773 42.2960 172.8409 54 P 4.2518 0.0000 0.0000 65.9448 31.5924 178.8558 55 K 4.0021 8.0871 117.0644 58.6753 32.3015 177.7285 56 Q 4.2633 7.7810 119.3840 58.1751 30.0195 176.8051 57 V 3.9518 7.4099 111.0017 60.4926 31.5053 175.8374 58 I 4.0388 7.1526 121.7955 62.5887 37.2026 175.8096 59 G 4.0622 9.0559 114.2273 45.2360 0.0000 173.6280 60 K 4.1362 7.7261 120.1033 55.4438 33.0400 175.9034 61 N 4.8498 8.5966 122.6841 53.5099 38.9701 175.1295 62 F 4.2400 8.7598 127.4163 59.5895 39.8399 176.5167 63 F 4.9129 7.9138 117.2170 58.4694 39.5651 176.5931 64 K 4.3924 7.7112 115.1803 56.0365 33.8094 175.9138 65 D 4.6680 7.9322 117.4212 54.1525 41.8089 176.1786 66 V 3.9169 7.4987 114.5773 64.3143 33.2612 174.9718 67 A 4.0738 6.7366 125.3205 49.3403 19.8344 174.3093 68 P 4.5966 0.0000 0.0000 64.4389 32.0572 176.8465 69 C 4.4929 7.6334 114.6917 59.8873 31.0081 175.3304 70 T 3.9675 7.2889 108.6877 62.7854 68.8216 174.0994 71 D 4.5137 7.2923 122.8281 53.3594 39.3135 174.3742 72 S 4.8177 7.5587 113.3967 56.5413 66.3879 171.5521 73 P 4.5810 0.0000 0.0000 63.5841 31.3399 177.2223 74 E 4.2099 8.0590 117.8421 56.9655 30.5444 176.1784 75 F 3.7358 7.3352 118.9039 60.0431 40.3002 176.6138 76 Y 4.1824 8.7747 119.5830 59.8543 38.6005 178.1786 77 G 4.0514 8.1257 108.5872 47.5423 0.0000 175.8222 78 K 4.0171 7.8539 120.8354 57.8721 32.1547 178.9515 79 F 4.0414 7.6460 120.3510 60.5439 39.0905 176.8307 80 K 3.8787 7.8267 116.6411 57.4593 31.9128 178.4352 81 E 4.0552 7.4807 119.6649 58.2869 30.1461 178.5394 82 G 3.3922 7.8189 105.7441 47.6456 0.0000 175.9400 83 V 3.4372 7.0430 119.4830 65.2456 31.5614 177.2052 84 A 4.2683 7.1105 117.0947 52.8595 18.9420 178.1326 85 S 4.4102 7.8045 111.0697 57.6835 62.9617 174.3877 86 G 3.7934 8.6713 109.1050 45.6390 0.0000 173.1926 87 N 4.4477 7.6391 109.7752 51.0808 38.2742 174.5696 88 L 3.6337 7.0169 120.9714 56.9707 43.5482 176.6126 89 N 5.1851 8.3923 123.2595 53.2715 40.2934 172.6161 90 T 4.7734 8.5084 118.8101 60.7811 71.9634 171.2329 91 M 4.6837 7.8542 120.7343 53.9407 34.5807 173.6051 92 F 4.8220 7.2290 110.5804 56.1428 41.7148 172.8668 93 E 4.6692 9.3161 119.4907 56.4322 30.3896 174.8663 94 Y 5.0733 8.9919 125.1484 55.9451 43.1831 174.1908 95 T 5.1744 7.9094 116.3720 61.1786 72.0617 174.8178 96 F 5.1001 8.9427 127.1375 56.2349 39.0660 175.8356 97 D 5.2519 8.7727 125.8415 51.9524 39.9828 176.6763 98 Y 4.2435 8.9411 116.8849 58.6018 39.4649 177.2791 99 Q 3.0378 6.6371 119.7550 55.6944 25.1877 175.6128 100 M 4.0275 6.7234 116.2095 56.4375 37.1985 173.3404 101 T 4.3322 7.7817 108.0612 59.6708 70.8975 171.6003 102 P 4.7627 0.0000 0.0000 63.0592 31.6469 175.7296 103 T 4.8089 8.7702 122.5020 61.6740 71.1175 174.0593 104 K 4.9199 8.3785 123.5250 55.4241 35.9141 175.2528 105 V 4.8507 8.2293 114.4824 60.0340 36.9720 173.1505 106 K 4.5548 8.6431 124.7277 56.1170 33.8265 176.7982 107 V 4.6907 8.4105 119.0696 61.3248 33.9130 175.6506 108 H 4.4431 8.7869 121.7009 56.1568 32.0166 171.9643 109 M 4.6892 8.3628 125.7485 53.5216 35.3132 175.1947 110 K 4.8104 5.6600 121.2210 54.2520 36.7607 174.3535 111 K 4.3635 7.9776 122.6468 54.8810 32.3182 176.3111 112 A 4.5346 7.7863 129.4051 52.6249 19.6326 177.5589 113 L 4.3481 8.7404 119.9149 55.0031 41.9336 179.0425 114 S 4.3020 8.1987 116.3863 59.9850 62.9266 175.0058 115 G 4.2333 7.0139 116.3410 45.1144 0.0000 172.9690 116 D 5.3466 6.3592 129.7373 54.8031 42.7477 174.3649 117 S 4.4214 6.9405 116.0430 56.7950 66.9719 172.2041 118 Y 4.8198 8.1480 117.2886 57.0208 41.8575 174.1630 119 W 5.6827 8.1635 122.2170 53.9314 31.0369 175.0736 120 V 4.5743 8.5658 122.2609 61.3863 33.5130 173.9586 121 F 6.2545 8.9362 128.1508 56.0797 40.6802 175.1939 122 V 4.7712 8.8360 124.3435 61.3280 33.5543 174.2226 123 K 4.8058 8.6079 130.7389 54.5406 33.0852 175.5383 124 R 4.2824 8.0584 127.8150 56.9646 30.7191 176.5329 125 V 3.9438 8.1218 124.8517 63.0159 31.1476 175.3748 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 8.29 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 E 8.17 4.56 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 2.18 2.33 0.00 3 H 8.68 4.20 0.00 3.12 3.32 0.00 5.94 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.39 3.66 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 1.04 0.00 0.00 1.00 0.00 0.00 5 A 8.42 4.39 1.28 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 6 F 8.64 4.09 0.00 2.95 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 7 G 8.33 3.63 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 0.00 0.00 0.00 8 S 7.29 3.28 0.00 3.49 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 9 E 8.90 3.95 0.00 1.99 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 0.00 2.29 2.35 0.00 10 D 7.92 4.22 0.00 2.89 2.96 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 0.00 0.00 0.00 11 I 7.43 3.49 1.34 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.22 0.08 0.00 0.00 12 E 7.65 3.71 0.00 2.38 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 13 N 8.09 4.29 0.00 2.85 2.84 0.00 0.00 7.16 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 14 T 7.82 3.99 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 1.16 0.00 0.00 15 L 7.72 4.30 0.00 1.65 1.67 0.51 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.60 4.35 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 17 K 7.38 4.32 0.00 1.64 1.75 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 18 M 7.89 3.88 0.00 2.26 2.05 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 2.46 2.63 0.00 19 D 7.99 5.14 0.00 2.52 2.46 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 20 D 8.50 4.09 0.00 2.66 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 21 G 8.09 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 22 Q 8.33 3.19 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 23 L 7.84 3.52 0.00 1.59 1.50 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.07 4.56 0.00 2.83 2.60 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 25 G 7.59 3.76 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 0.00 0.00 0.00 26 L 7.33 4.12 0.00 0.67 0.23 0.38 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.98 4.71 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 28 F 6.14 5.66 0.00 3.29 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 29 G 9.22 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 0.00 0.00 0.00 30 A 8.27 5.28 0.68 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 0.00 0.00 31 I 8.40 5.35 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.65 -0.30 0.00 0.00 32 Q 8.58 5.51 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 33 L 8.54 5.86 0.00 2.22 1.95 0.78 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.46 5.01 0.00 2.68 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 35 G 7.41 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.95 5.79 0.00 3.10 2.96 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 0.00 0.00 0.00 37 G 8.17 4.37 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 0.00 38 N 8.33 4.89 0.00 2.94 2.82 0.00 0.00 6.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.76 4.66 2.20 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 1.67 2.20 1.01 0.00 0.00 40 L 8.55 4.71 0.00 1.64 1.75 1.27 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.78 4.63 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 42 Y 8.72 4.50 0.00 3.06 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 43 N 8.92 5.13 0.00 3.11 3.11 0.00 0.00 6.25 7.19 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 44 A 8.32 4.33 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 45 A 8.00 3.90 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 0.00 0.00 46 E 8.16 4.13 0.00 2.40 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 0.00 2.52 2.53 0.00 47 G 7.81 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 48 D 7.90 4.50 0.00 2.81 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 49 I 7.35 3.93 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 1.07 0.00 0.00 50 T 7.96 4.44 4.51 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 1.45 0.00 0.00 51 G 8.52 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.15 3.80 0.00 1.88 1.51 0.00 3.17 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 53 D 8.08 4.72 0.00 3.09 2.62 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 54 P 0.00 4.25 0.00 2.35 2.48 0.00 3.79 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 55 K 8.09 4.00 0.00 1.93 2.00 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.50 7.81 56 Q 7.78 4.26 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.18 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 57 V 7.41 3.95 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 0.51 0.00 0.00 0.57 0.00 0.00 58 I 7.15 4.04 1.93 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 1.26 0.58 0.92 0.00 0.00 59 G 9.06 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 60 K 7.73 4.14 0.00 1.85 1.68 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.51 7.81 61 N 8.60 4.85 0.00 2.69 2.65 0.00 0.00 6.89 7.77 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 62 F 8.76 4.24 0.00 3.08 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 63 F 7.91 4.91 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.71 4.39 0.00 1.72 1.75 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.20 1.31 7.81 65 D 7.93 4.67 0.00 2.60 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 66 V 7.50 3.92 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 0.62 0.00 0.00 0.88 0.00 0.00 67 A 6.74 4.07 0.23 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 68 P 0.00 4.60 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 69 C 7.63 4.49 0.00 3.23 3.26 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 70 T 7.29 3.97 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 -0.50 0.00 0.00 71 D 7.29 4.51 0.00 2.77 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 72 S 7.56 4.82 0.00 4.19 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 73 P 0.00 4.58 0.00 2.25 2.27 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 74 E 8.06 4.21 0.00 1.95 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 2.24 2.27 0.00 75 F 7.34 3.74 0.00 2.67 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 Y 8.77 4.18 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 77 G 8.13 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.85 4.02 0.00 1.82 1.86 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.49 7.81 79 F 7.65 4.04 0.00 3.26 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 80 K 7.83 3.88 0.00 1.67 1.58 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.88 0.24 7.81 81 E 7.48 4.06 0.00 1.96 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 0.00 2.16 2.24 0.00 82 G 7.82 3.39 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 0.00 83 V 7.04 3.44 1.61 0.00 0.00 0.00 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 -1.14 0.00 0.00 84 A 7.11 4.27 1.28 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 85 S 7.80 4.41 0.00 3.96 3.76 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 86 G 8.67 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.64 4.45 0.00 2.72 2.75 0.00 0.00 6.08 7.72 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 88 L 7.02 3.63 0.00 1.63 1.36 0.60 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.39 5.19 0.00 2.60 2.56 0.00 0.00 6.87 7.66 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 90 T 8.51 4.77 4.18 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 1.15 0.00 0.00 91 M 7.85 4.68 0.00 1.68 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 92 F 7.23 4.82 0.00 3.24 3.20 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 0.00 93 E 9.32 4.67 0.00 2.09 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 0.00 2.37 2.56 0.00 94 Y 8.99 5.07 0.00 3.70 3.30 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 95 T 7.91 5.17 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 1.29 0.00 0.00 96 F 8.94 5.10 0.00 3.08 3.02 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 0.00 0.00 0.00 0.00 97 D 8.77 5.25 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.94 4.24 0.00 3.12 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 99 Q 6.64 3.04 0.00 1.37 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 100 M 6.72 4.03 0.00 2.03 1.85 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 2.29 2.37 0.00 101 T 7.78 4.33 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 1.23 0.00 0.00 102 P 0.00 4.76 0.00 2.13 2.17 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 103 T 8.77 4.81 4.70 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 1.25 0.00 0.00 104 K 8.38 4.92 0.00 1.75 1.88 0.00 1.55 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.45 7.81 105 V 8.23 4.85 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 0.65 0.00 0.00 0.49 0.00 0.00 106 K 8.64 4.55 0.00 1.94 1.95 0.00 1.17 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.14 0.90 7.81 107 V 8.41 4.69 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 1.12 0.00 0.00 -1.22 0.00 0.00 108 H 8.79 4.44 0.00 1.65 1.42 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 8.36 4.69 0.00 1.98 1.70 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 2.25 2.41 0.00 110 K 5.66 4.81 0.00 0.79 0.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 0.90 7.81 111 K 7.98 4.36 0.00 1.74 1.57 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.37 7.81 112 A 7.79 4.53 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 0.00 113 L 8.74 4.35 0.00 1.78 1.72 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.20 4.30 0.00 3.88 3.95 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 0.00 115 G 7.01 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 0.00 116 D 6.36 5.35 0.00 2.65 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 0.00 117 S 6.94 4.42 0.00 3.91 3.67 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 0.00 118 Y 8.15 4.82 0.00 3.43 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 0.00 119 W 8.16 5.68 0.00 3.61 3.22 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 0.00 120 V 8.57 4.57 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 1.27 0.00 0.00 1.22 0.00 0.00 121 F 8.94 6.25 0.00 3.18 3.24 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 0.00 122 V 8.84 4.77 2.41 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 1.02 0.00 0.00 1.39 0.00 0.00 123 K 8.61 4.81 0.00 0.79 0.94 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.32 7.81 124 R 8.06 4.28 0.00 1.92 1.82 0.00 3.34 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 125 V 8.12 3.94 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 0.68 0.00 0.00 1.02 0.00 0.00