NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6823 8.2976 118.1628 58.1072 41.5551 173.6736 2 S 3.5286 10.2164 117.0887 58.0385 62.2517 169.7460 3 C 4.3434 7.5387 122.1960 57.0254 44.7717 173.9520 4 S 4.6793 8.2574 116.8964 55.5434 63.1745 172.1076 5 P 4.5976 0.0000 0.0000 62.3445 32.7035 174.8027 6 V 3.9732 7.5779 126.2524 59.2717 33.7045 177.3624 7 H 3.9092 8.8434 102.3056 56.1159 26.0423 172.8143 8 P 4.6980 0.0000 0.0000 64.3872 32.1146 177.2909 9 Q 3.9950 7.8773 117.0922 57.2499 31.5346 176.5045 10 Q 4.1870 8.0366 114.5285 57.4247 28.6753 177.8829 11 A 4.1994 7.7779 122.6039 54.4124 18.9843 178.4924 12 F 4.4634 8.0492 114.0431 58.2044 38.9947 176.2525 13 C 4.9390 7.9668 115.0272 56.9176 41.7605 174.3724 14 N 4.5704 7.7010 116.3456 54.3682 39.4247 174.6807 15 A 4.2035 7.4354 121.6420 53.2616 18.9249 177.0617 16 D 4.8700 8.4897 114.4031 54.8182 44.5738 177.3201 17 V 4.4902 7.7166 116.8923 61.3757 33.0067 170.3031 18 V 4.8187 9.5851 129.7969 60.9935 33.4859 174.3858 19 I 4.8457 9.3331 122.6568 58.9900 40.9706 176.0131 20 R 5.0507 7.5696 127.5769 55.9029 28.9744 176.8387 21 T 3.9880 7.7995 113.3686 62.0297 69.3185 172.3034 22 K 4.2873 8.0591 122.7230 54.7300 35.4746 175.1976 23 A 4.6026 8.1251 128.6895 51.0522 18.5059 176.9973 24 V 4.7291 8.1568 114.6622 61.9117 33.8117 176.3018 25 S 4.8690 7.5696 113.1915 56.8506 65.8478 172.6637 26 E 5.1822 8.2236 120.3661 55.8579 33.7836 174.3571 27 K 4.2485 8.2393 120.8445 55.9828 35.2901 175.1020 28 E 4.2882 8.9645 129.8222 55.9067 29.0369 174.6642 29 V 4.3315 7.8420 118.9745 59.0821 33.6263 175.3863 30 D 4.7567 8.7243 125.4994 54.5000 41.6448 176.6629 31 S 4.3962 8.2039 112.1733 58.2130 63.1524 174.8409 32 G 3.9249 8.1736 108.3821 44.3788 0.0000 173.0290 33 N 4.6003 8.2949 115.8591 52.7508 39.9002 175.1292 34 D 4.8674 9.3580 120.6261 53.6788 43.1398 176.8105 35 I 4.1904 8.3853 118.6306 62.6435 37.2957 175.4729 36 Y 4.4948 8.1934 120.2935 56.9126 39.2545 176.1900 37 G 3.9836 7.9872 107.4491 45.9371 0.0000 173.8639 38 N 4.6684 7.7990 117.3500 51.3954 38.4367 172.4978 39 P 4.8769 0.0000 0.0000 62.4436 31.5090 175.6373 40 I 3.5640 8.9220 126.0641 58.7236 37.5133 171.7165 41 K 4.1033 8.2107 130.7340 56.1876 34.1019 176.7639 42 R 5.3100 8.3619 122.3845 53.7230 28.1713 174.7531 43 I 3.7405 7.2824 122.8231 61.1887 39.5093 176.8236 44 Q 4.4954 8.9051 125.2427 54.7981 30.7502 175.7949 45 Y 4.9281 8.2434 114.6497 56.1006 37.8653 176.3708 46 E 3.8241 8.1761 126.4407 56.2078 27.3928 176.1626 47 I 4.0946 7.4852 115.7128 60.5240 39.3373 177.5189 48 K 4.3880 8.3854 121.5162 54.3612 32.5896 176.4610 49 Q 2.9353 7.8931 109.3235 56.4988 25.5118 173.0617 50 I 4.1652 7.8886 116.3728 61.1012 39.3152 175.5842 51 K 4.4552 7.2177 119.7450 55.0762 35.5847 174.8288 52 M 4.8696 7.8401 117.6709 53.3942 30.3474 174.2538 53 F 3.7023 7.0654 116.3474 61.4524 40.6692 176.4143 54 K 4.6613 9.3380 121.8737 54.5161 32.4983 175.4660 55 G 4.4724 7.6436 110.2655 42.9116 0.0000 167.4963 56 P 4.5834 0.0000 0.0000 62.3582 32.8493 175.2261 57 E 4.2086 8.4846 116.1232 58.2875 29.4442 177.1744 58 K 3.9538 7.1806 119.8179 54.9868 32.8324 175.8106 59 D 5.3600 7.1251 114.4558 52.6409 42.5199 175.2627 60 I 4.4095 7.2753 121.3859 57.9866 39.3096 177.6360 61 E 3.9491 8.8269 121.3074 56.8689 28.4161 174.1165 62 F 4.7286 7.9462 116.9724 56.0918 41.9011 174.0858 63 I 5.0816 8.6584 125.0794 60.1602 39.8904 174.0521 64 Y 4.9573 8.1166 117.3882 57.3164 41.7067 175.7889 65 T 4.7088 8.0306 113.9228 62.2059 71.4312 171.8585 66 A 4.9001 8.4831 122.8849 49.9235 21.3529 176.8105 67 P 4.4320 0.0000 0.0000 63.5018 33.6124 175.6648 68 S 3.8331 8.4019 113.5262 59.2781 61.3524 172.1243 69 S 4.1716 8.5346 116.3446 59.4510 62.0537 173.1476 70 A 3.6975 8.0661 125.1571 52.2478 15.3856 178.5352 71 V 4.2142 7.9895 114.8667 63.0800 33.4924 177.4766 72 C 5.0270 8.1025 113.6226 56.2894 42.0081 173.3634 73 G 4.0697 7.5666 108.1056 45.0847 0.0000 173.2211 74 V 4.0659 8.3949 120.1284 62.8002 32.5570 177.5690 75 S 3.7359 7.6351 105.6194 60.3802 59.6235 169.5721 76 L 4.8724 9.4530 126.2491 52.6638 43.7578 176.3869 77 D 5.0557 8.2495 118.4902 51.1192 40.9143 176.9236 78 V 3.5782 8.1834 125.0470 64.2059 30.8203 173.9577 79 G 3.8724 8.1403 106.3533 47.5800 0.0000 173.7498 80 G 4.0853 7.8722 107.0860 44.8666 0.0000 173.6008 81 K 4.2483 8.8760 116.7459 55.1241 33.9133 178.1926 82 K 5.1375 8.3750 127.0161 56.0201 31.5224 175.0700 83 E 4.5106 7.0864 116.2646 55.4034 31.6151 173.7773 84 Y 5.6524 7.7641 116.1412 56.0353 40.9165 175.4514 85 L 4.8524 9.1655 119.6706 57.1359 41.0865 178.0217 86 I 2.8211 6.7537 116.1125 62.1992 33.0330 173.0795 87 A 5.1398 6.7692 130.1710 48.9610 20.0790 175.3466 88 G 4.4619 7.9173 108.9120 43.0581 0.0000 172.2055 89 K 3.6341 8.7806 120.1790 57.6584 32.1214 176.8758 90 A 3.9344 7.7207 118.0100 51.5562 18.0270 176.5556 91 E 4.4552 8.5478 115.0025 56.6367 32.8184 176.0426 92 G 4.0922 7.0013 107.8120 46.6261 0.0000 172.1924 93 D 4.7691 8.9310 124.4488 53.7294 42.5387 176.8115 94 G 4.0604 9.8765 112.7663 44.9528 0.0000 173.3678 95 K 5.3613 7.0466 114.5474 57.2606 35.1232 173.9871 96 M 5.0726 8.1063 120.9296 54.8641 36.7238 172.8976 97 H 5.3972 8.7164 116.4676 55.3089 33.1619 172.7225 98 I 5.0200 8.4149 115.1921 59.5394 40.9580 174.4352 99 T 4.9965 8.2781 113.0271 60.0430 72.2458 174.5970 100 L 4.0062 8.8411 123.2584 59.0810 40.4824 178.1141 101 C 4.3761 8.1419 118.0631 58.9877 38.2050 172.8495 102 D 4.7428 7.7973 118.9763 53.2945 42.9688 175.1872 103 F 5.0206 8.7727 124.1528 58.4796 40.2315 173.8879 104 I 4.3311 8.5905 117.1734 60.2783 40.0362 173.9884 105 V 4.7337 8.0654 117.5394 59.3933 36.2623 172.9750 106 P 5.1980 0.0000 0.0000 62.6537 31.4104 176.2250 107 W 4.1488 8.4826 133.5954 58.9205 30.3547 175.4786 108 D 4.7400 7.9812 117.0338 53.2460 39.4159 175.0218 109 T 4.6485 7.9853 111.4216 64.1989 76.4400 177.2104 110 L 3.2575 7.5244 114.6779 52.9567 43.1308 175.8353 111 S 5.1808 9.5477 130.3080 58.4610 60.6488 177.0161 112 T 4.7765 7.2663 126.1775 64.6972 67.1728 174.4617 113 T 3.3817 7.4614 118.6439 66.8792 68.3972 175.9653 114 Q 2.6597 7.5804 119.0981 57.7525 28.8730 178.3110 115 K 4.0205 7.5374 119.4665 59.1106 32.0621 179.3130 116 K 3.9820 8.4973 118.5317 59.3111 32.7637 178.2340 117 S 4.2863 7.2017 113.1698 59.2008 62.2437 175.6809 118 L 3.9537 7.9373 121.6236 57.4979 41.6464 177.4248 119 N 4.8032 8.0617 113.8833 53.3095 37.5016 175.4193 120 H 4.5482 8.1824 116.0879 55.7049 28.1870 175.1693 121 R 4.1538 7.3081 117.9365 55.8251 29.2476 176.3728 122 Y 4.4719 7.8328 123.4595 57.4223 39.0339 174.0694 123 Q 3.3093 8.3451 130.5851 57.8457 27.9717 175.0120 124 M 4.0964 7.6050 117.9121 55.6344 31.0221 177.8566 125 G 4.5455 7.8884 100.5080 46.3168 0.0000 172.8410 126 C 4.4619 7.3961 114.6067 56.6465 41.8964 173.3536 127 E 4.5225 8.3203 119.5578 57.5611 29.3309 176.4198 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 C 8.30 4.68 0.00 2.98 3.06 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 2 S 10.22 3.53 0.00 4.11 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 3 C 7.54 4.34 0.00 2.91 3.08 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 0.00 0.00 0.00 0.00 4 S 8.26 4.68 0.00 3.99 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 5 P 0.00 4.60 0.00 2.24 2.42 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 6 V 7.58 3.97 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 0.44 0.00 0.00 0.88 0.00 0.00 7 H 8.84 3.91 0.00 3.51 3.56 0.00 5.45 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.70 0.00 2.08 2.14 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 9 Q 7.88 3.99 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 10 Q 8.04 4.19 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 11 A 7.78 4.20 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 12 F 8.05 4.46 0.00 2.92 2.99 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 13 C 7.97 4.94 0.00 2.91 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 14 N 7.70 4.57 0.00 3.04 2.86 0.00 0.00 7.28 7.83 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 15 A 7.44 4.20 1.58 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 16 D 8.49 4.87 0.00 2.73 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 17 V 7.72 4.49 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 0.80 0.00 0.00 0.93 0.00 0.00 18 V 9.59 4.82 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 0.95 0.00 0.00 1.05 0.00 0.00 19 I 9.33 4.85 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 1.26 0.67 0.91 0.00 0.00 20 R 7.57 5.05 0.00 0.86 1.13 0.00 2.21 0.00 0.00 2.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.00 21 T 7.80 3.99 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 1.21 0.00 0.00 22 K 8.06 4.29 0.00 1.75 1.80 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.24 7.81 23 A 8.13 4.60 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 24 V 8.16 4.73 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 1.00 0.00 0.00 0.86 0.00 0.00 25 S 7.57 4.87 0.00 3.79 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 26 E 8.22 5.18 0.00 1.80 1.77 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 2.18 2.47 0.00 27 K 8.24 4.25 0.00 1.88 1.64 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.44 7.81 28 E 8.96 4.29 0.00 1.99 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 2.27 2.31 0.00 29 V 7.84 4.33 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 0.81 0.00 0.00 0.90 0.00 0.00 30 D 8.72 4.76 0.00 2.56 2.61 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 0.00 0.00 0.00 0.00 31 S 8.20 4.40 0.00 3.80 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 32 G 8.17 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 0.00 0.00 0.00 33 N 8.29 4.60 0.00 2.72 2.91 0.00 0.00 6.80 8.07 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 34 D 9.36 4.87 0.00 2.66 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 35 I 8.39 4.19 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.96 0.00 0.00 36 Y 8.19 4.49 0.00 2.80 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 37 G 7.99 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 38 N 7.80 4.67 0.00 2.96 3.10 0.00 0.00 6.08 7.80 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 39 P 0.00 4.88 0.00 2.21 2.11 0.00 3.80 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 2.00 1.99 0.00 40 I 8.92 3.56 2.00 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 1.20 0.67 0.93 0.00 0.00 41 K 8.21 4.10 0.00 1.86 1.83 0.00 1.57 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.44 7.81 42 R 8.36 5.31 0.00 1.88 1.95 0.00 3.36 0.00 0.00 3.16 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 I 7.28 3.74 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.60 0.00 0.00 44 Q 8.91 4.50 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 45 Y 8.24 4.93 0.00 3.06 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 46 E 8.18 3.82 0.00 1.73 1.56 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 1.87 1.47 0.00 47 I 7.49 4.09 1.78 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 1.14 0.69 0.87 0.00 0.00 48 K 8.39 4.39 0.00 1.56 1.67 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.25 7.81 49 Q 7.89 2.94 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.62 0.00 50 I 7.89 4.17 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.38 0.73 0.00 0.00 51 K 7.22 4.46 0.00 1.28 1.09 0.00 1.11 0.00 0.00 1.32 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.99 1.14 7.81 52 M 7.84 4.87 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 53 F 7.07 3.70 0.00 3.11 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 54 K 9.34 4.66 0.00 2.01 1.77 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.48 7.81 55 G 7.64 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.58 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 57 E 8.48 4.21 0.00 1.96 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 2.25 2.26 0.00 58 K 7.18 3.95 0.00 1.69 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.48 7.81 59 D 7.13 5.36 0.00 2.81 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 60 I 7.28 4.41 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 1.11 0.00 0.00 61 E 8.83 3.95 0.00 2.46 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 0.00 2.21 2.38 0.00 62 F 7.95 4.73 0.00 3.05 3.01 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 63 I 8.66 5.08 2.27 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 1.07 0.00 0.00 64 Y 8.12 4.96 0.00 3.18 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 65 T 8.03 4.71 4.35 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 0.21 0.00 0.00 66 A 8.48 4.90 1.24 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 0.00 0.00 67 P 0.00 4.43 0.00 2.21 2.20 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 68 S 8.40 3.83 0.00 4.06 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 69 S 8.53 4.17 0.00 3.84 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 70 A 8.07 3.70 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 71 V 7.99 4.21 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 0.97 0.00 0.00 0.92 0.00 0.00 72 C 8.10 5.03 0.00 2.93 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 73 G 7.57 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 74 V 8.39 4.07 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 0.82 0.00 0.00 0.94 0.00 0.00 75 S 7.64 3.74 0.00 4.07 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 76 L 9.45 4.87 0.00 1.76 1.71 -0.16 0.95 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 77 D 8.25 5.06 0.00 2.89 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 78 V 8.18 3.58 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 0.92 0.00 0.00 0.87 0.00 0.00 79 G 8.14 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 80 G 7.87 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 81 K 8.88 4.25 0.00 1.92 1.74 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.57 7.81 82 K 8.37 5.14 0.00 2.03 2.06 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.29 7.81 83 E 7.09 4.51 0.00 1.93 1.82 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 2.21 2.09 0.00 84 Y 7.76 5.65 0.00 3.14 3.03 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 85 L 9.17 4.85 0.00 2.11 2.41 1.51 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 86 I 6.75 2.82 2.05 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.02 0.85 0.00 0.00 87 A 6.77 5.14 -0.02 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 0.00 0.00 88 G 7.92 4.46 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 0.00 89 K 8.78 3.63 0.00 1.75 1.92 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 90 A 7.72 3.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.46 0.00 1.70 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 1.87 1.81 0.00 92 G 7.00 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 93 D 8.93 4.77 0.00 2.65 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 94 G 9.88 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 95 K 7.05 5.36 0.00 1.94 2.00 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.08 7.81 96 M 8.11 5.07 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 97 H 8.72 5.40 0.00 3.18 3.10 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.41 5.02 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.73 0.88 0.00 0.00 99 T 8.28 5.00 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 1.25 0.00 0.00 100 L 8.84 4.01 0.00 1.77 2.07 0.96 0.86 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 0.00 101 C 8.14 4.38 0.00 2.98 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 0.00 102 D 7.80 4.74 0.00 2.87 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 0.00 103 F 8.77 5.02 0.00 3.05 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 0.00 104 I 8.59 4.33 1.68 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 1.56 0.48 0.66 0.00 0.00 105 V 8.07 4.73 2.33 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 1.11 0.00 0.00 1.41 0.00 0.00 106 P 0.00 5.20 0.00 2.31 2.27 0.00 3.60 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 107 W 8.48 4.15 0.00 3.63 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.74 0.00 2.75 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 0.00 109 T 7.99 4.65 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 1.26 0.00 0.00 110 L 7.52 3.26 0.00 1.83 1.47 1.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 111 S 9.55 5.18 0.00 3.91 4.02 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 0.00 112 T 7.27 4.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 113 T 7.46 3.38 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 1.05 0.00 0.00 114 Q 7.58 2.66 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.78 0.00 0.00 0.00 0.00 0.00 2.65 1.85 0.00 115 K 7.54 4.02 0.00 1.82 1.83 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.55 7.81 116 K 8.50 3.98 0.00 1.76 1.85 0.00 1.36 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.38 7.81 117 S 7.20 4.29 0.00 3.43 3.52 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 0.00 118 L 7.94 3.95 0.00 1.84 1.38 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.06 4.80 0.00 3.00 3.11 0.00 0.00 6.32 7.93 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 0.00 120 H 8.18 4.55 0.00 3.36 3.38 0.00 5.95 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.31 4.15 0.00 2.13 2.26 0.00 3.53 0.00 0.00 3.38 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 122 Y 7.83 4.47 0.00 3.09 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 0.00 123 Q 8.35 3.31 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.64 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 124 M 7.61 4.10 0.00 1.39 1.77 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 125 G 7.89 4.55 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 0.00 0.00 0.00 126 C 7.40 4.46 0.00 2.73 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 0.00 127 E 8.32 4.52 0.00 1.85 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 0.00 2.02 2.16 0.00