NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4755 8.1927 116.7933 58.6441 64.3910 171.7977 2 L 4.7040 7.9810 121.6186 53.4261 45.0481 173.7876 3 G 4.3140 10.5602 112.6637 46.6532 0.0000 171.6964 4 I 4.3391 7.8129 117.1835 60.7568 40.5992 174.0886 5 D 4.9252 8.4786 127.7000 53.1801 45.2105 173.6843 6 M 5.4098 8.4746 121.8645 54.0853 35.8752 174.1140 7 N 5.2771 9.9536 120.2692 51.6440 43.8910 173.5954 8 V 4.7543 8.2584 119.1408 60.2006 34.5257 175.9041 9 K 4.2125 9.1447 123.3253 55.8910 34.4918 177.2934 10 E 3.5748 8.9623 127.1943 55.5318 29.8101 176.2713 11 S 6.0561 8.1095 126.6673 58.8332 64.1669 176.1616 12 V 4.5554 6.9901 123.3449 60.6431 32.9335 175.0299 13 L 5.6122 9.1004 128.4719 53.7120 40.9022 176.0695 14 C 4.5045 8.4296 123.0493 59.8168 29.9356 173.0268 15 I 5.2849 8.8043 124.4466 58.9502 39.3986 175.1735 16 R 5.3677 8.3304 127.5525 54.5714 31.0893 175.0928 17 L 4.9690 8.1596 127.3838 53.5051 44.4421 175.2785 18 T 4.7892 9.4920 115.6438 59.5454 71.6815 174.0867 19 G 4.6621 7.1830 117.2839 45.2429 0.0000 174.5792 20 E 4.8853 7.5894 119.9492 54.2008 32.7054 175.7176 21 L 4.7315 8.4379 120.9151 52.7408 41.7424 175.3167 22 D 5.4198 9.6173 124.9794 49.6434 44.1694 175.6022 23 H 4.1311 9.1718 115.6659 59.1156 27.9812 176.8900 24 H 4.2996 8.0024 118.7904 59.0452 28.7420 177.4703 25 T 4.1301 7.7963 110.1652 64.3535 68.8207 176.5821 26 A 4.1858 10.0866 123.2133 54.3963 18.3145 179.1955 27 E 3.9589 7.7360 117.1092 59.8084 29.7035 178.7169 28 T 3.8803 7.4664 114.4655 67.0660 68.7158 176.1028 29 L 4.1232 7.6817 120.1983 57.5514 42.1375 178.6393 30 K 3.9122 8.4769 120.6824 59.5877 31.9542 178.6916 31 Q 4.0704 7.7981 116.3049 58.9007 28.7451 177.8459 32 K 4.1135 7.8856 120.3077 58.0983 32.0509 178.9008 33 V 3.5477 7.5044 118.4247 66.7225 31.3969 177.4014 34 T 3.7741 7.9213 111.0423 65.5516 67.4372 175.3529 35 Q 4.1245 7.8728 119.6739 59.0740 28.5579 178.6324 36 S 4.2891 7.8009 112.4461 60.6074 62.4827 175.3916 37 L 4.2033 8.1805 122.5085 57.4720 42.6734 177.8730 38 E 4.8484 7.2919 113.2999 55.7714 32.5943 174.7867 39 K 4.1688 8.3703 123.3499 57.4406 33.5940 178.1772 40 D 4.9273 7.4717 122.6860 55.7471 42.4279 178.4796 41 D 5.1286 8.0960 130.6959 54.1640 40.5472 179.4344 42 I 4.4422 8.1855 115.7306 59.4727 38.0753 174.9321 43 R 4.2962 7.9004 124.1122 55.6313 32.3906 175.2403 44 H 5.2323 10.0366 114.0629 54.7492 33.2158 173.0065 45 I 4.4644 7.3875 114.2544 60.1611 39.9711 176.4497 46 V 4.3869 7.7384 119.8029 62.6992 33.3187 171.9750 47 L 4.8218 8.1637 125.7306 53.8476 43.5322 175.6905 48 N 4.4014 8.0478 111.9772 52.5719 40.4060 172.7783 49 L 5.2750 8.6888 126.8203 52.9244 42.9950 175.4409 50 E 4.2957 9.0574 126.6758 56.3131 30.6043 175.6127 51 D 4.8573 7.7067 120.6076 52.6873 39.8946 174.5574 52 L 4.5626 7.6883 120.9188 53.7320 43.6136 173.9075 53 S 4.4244 8.5132 119.0437 58.8798 63.7108 174.4527 54 F 4.0968 6.1321 122.5971 58.4691 40.3558 174.7977 55 M 3.1243 7.7509 122.8366 56.5746 30.1562 175.8266 56 D 4.6763 7.9437 127.1721 52.7204 43.1988 177.4488 57 S 4.6123 8.3168 118.4945 58.7265 63.0551 175.5832 58 S 4.2669 8.1831 119.4912 61.9701 62.9046 176.1595 59 G 3.9546 7.9113 104.6118 44.9206 0.0000 174.9344 60 L 3.9984 7.2192 123.5640 58.5665 41.5429 179.2592 61 G 3.6635 8.0324 104.9856 47.4595 0.0000 175.9362 62 V 3.7759 7.8011 120.7555 64.2578 31.3098 178.0099 63 I 4.1551 7.9511 120.4415 63.3152 37.5672 177.7850 64 L 4.1972 8.1563 121.4794 58.0939 41.7547 179.2070 65 G 3.7138 9.4642 106.0231 47.2316 0.0000 175.6708 66 R 4.2260 7.4583 117.2469 58.6341 30.2118 177.7453 67 Y 3.9906 7.9822 119.9419 60.6885 38.7482 178.3140 68 K 4.2683 7.6970 115.8144 57.9193 32.5615 178.2302 69 Q 4.2274 7.5039 119.9402 58.3348 29.0103 177.3702 70 I 3.7254 9.8352 119.4910 63.8022 37.9208 177.8410 71 K 4.0790 7.8357 118.8779 58.5940 31.7230 178.7949 72 Q 4.0473 7.5049 118.7405 58.4007 28.9750 177.4004 73 I 4.0500 7.1455 120.1959 62.6996 38.2906 175.9427 74 G 4.4352 7.6503 109.3035 45.9515 0.0000 172.8439 75 G 4.0519 7.2530 115.7163 44.2502 0.0000 173.2994 76 E 4.6053 8.5552 122.8069 55.1244 34.2012 172.5076 77 M 4.5425 7.9969 121.4566 53.8002 33.3246 175.1133 78 V 4.6168 7.9690 125.1098 61.2991 35.6917 174.3566 79 V 4.3990 7.4179 123.7745 61.0190 34.8520 172.3295 80 C 4.2778 7.4013 118.1674 56.4635 32.6801 172.3519 81 A 3.6167 8.6941 115.5671 53.8237 14.6426 177.7345 82 I 4.1063 7.7686 121.6662 62.6374 40.6191 173.7635 83 S 4.5723 7.7938 111.4761 57.4123 64.5592 175.4160 84 P 4.4929 0.0000 0.0000 64.2107 31.3736 176.4311 85 A 4.7849 7.6971 121.3849 51.8700 20.0044 176.7684 86 V 4.2759 7.7711 118.4165 64.6953 34.7966 176.9803 87 K 4.1624 8.2819 118.6106 58.4084 32.3950 178.9225 88 R 3.9079 7.7789 117.5955 58.8014 28.8919 178.6224 89 L 3.6653 7.6812 120.4204 57.6729 41.6297 178.9912 90 F 3.9923 7.6228 116.3019 59.1776 38.7572 177.4845 91 D 4.1972 7.6228 117.8038 57.0804 41.0213 177.3208 92 M 4.1219 7.6067 117.9787 57.9450 32.3357 177.7870 93 S 4.1538 7.4650 112.7519 59.5078 62.3442 175.8012 94 G 3.9124 7.9995 107.3911 46.1413 0.0000 173.7532 95 L 4.5547 7.2771 119.8702 54.7551 42.1316 177.1973 96 F 4.4633 8.3672 121.4948 62.0825 38.7925 177.2236 97 K 4.0448 8.1855 116.4924 58.8725 31.9633 178.0136 98 I 3.8633 8.5892 117.8095 61.6351 38.1681 175.7654 99 I 3.6052 7.1380 117.2564 61.2468 39.0523 176.2746 100 R 3.2146 7.8452 112.7777 57.1122 27.5148 174.3750 101 F 4.5225 7.3535 127.3930 55.3216 41.8132 173.6501 102 E 4.2862 8.2774 122.9742 55.4727 33.1907 176.8071 103 Q 4.2533 9.5894 115.2800 56.0894 30.9259 175.3415 104 S 3.5327 9.1029 116.0823 59.7906 63.2850 174.2293 105 E 3.8131 7.7595 118.9658 59.3150 29.7910 178.7880 106 Q 4.1259 8.3400 118.2510 57.9720 28.8013 177.5079 107 Q 3.7918 10.7000 119.5883 59.4018 29.3957 178.6718 108 A 4.1907 7.6204 120.3435 54.7817 19.0334 179.3606 109 L 3.9556 7.7097 117.7899 57.5451 41.9221 178.4869 110 L 3.8496 9.9450 119.8006 58.4700 42.0648 178.5757 111 T 3.8714 7.3192 112.9969 64.6978 68.4009 174.1969 112 L 3.9415 7.9915 123.5309 53.7584 41.8905 173.9128 113 G 3.9724 7.8541 102.3860 45.7259 0.0000 175.0502 114 V 4.2908 6.5133 116.4860 59.8492 32.7837 171.4546 115 A 5.2475 8.7061 135.0000 52.2124 19.4459 177.0397 116 S 4.0939 8.0251 115.1367 58.9355 63.3486 171.3340 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 8.19 4.48 0.00 3.91 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 2 L 7.98 4.70 0.00 1.63 1.49 1.04 0.70 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 3 G 10.56 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 0.00 0.00 0.00 0.00 4 I 7.81 4.34 1.89 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 1.25 0.90 0.92 0.00 0.00 5 D 8.48 4.93 0.00 3.02 2.48 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 6 M 8.47 5.41 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 7 N 9.95 5.28 0.00 2.57 2.63 0.00 0.00 6.28 7.56 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 8 V 8.26 4.75 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 0.82 0.00 0.00 0.92 0.00 0.00 9 K 9.14 4.21 0.00 1.70 1.72 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.51 7.81 10 E 8.96 3.57 0.00 2.16 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 2.29 2.28 0.00 11 S 8.11 6.06 0.00 3.83 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 12 V 6.99 4.56 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 1.03 0.00 0.00 0.95 0.00 0.00 13 L 9.10 5.61 0.00 1.56 1.79 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.43 4.50 0.00 2.90 2.88 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 15 I 8.80 5.28 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 1.25 1.37 0.93 0.00 0.00 16 R 8.33 5.37 0.00 1.77 1.90 0.00 3.38 0.00 0.00 3.23 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.11 0.00 17 L 8.16 4.97 0.00 1.63 1.57 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 T 9.49 4.79 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 1.23 0.00 0.00 19 G 7.18 4.66 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 0.00 0.00 0.00 20 E 7.59 4.89 0.00 2.01 2.17 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 2.35 2.40 0.00 21 L 8.44 4.73 0.00 1.71 1.63 1.01 0.93 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 22 D 9.62 5.42 0.00 2.98 3.07 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 23 H 9.17 4.13 0.00 3.31 3.57 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.00 4.30 0.00 3.31 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.80 4.13 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 1.29 0.00 0.00 26 A 10.09 4.19 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 27 E 7.74 3.96 0.00 2.42 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 2.40 0.00 28 T 7.47 3.88 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 29 L 7.68 4.12 0.00 1.85 1.81 0.95 0.33 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 30 K 8.48 3.91 0.00 1.94 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 31 Q 7.80 4.07 0.00 2.38 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 32 K 7.89 4.11 0.00 1.94 2.03 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 V 7.50 3.55 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 1.04 0.00 0.00 0.99 0.00 0.00 34 T 7.92 3.77 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 1.29 0.00 0.00 35 Q 7.87 4.12 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 36 S 7.80 4.29 0.00 4.16 3.89 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 37 L 8.18 4.20 0.00 1.79 1.75 0.93 0.89 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 38 E 7.29 4.85 0.00 1.96 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 0.00 2.24 2.22 0.00 39 K 8.37 4.17 0.00 1.70 1.81 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 40 D 7.47 4.93 0.00 2.73 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 0.00 0.00 0.00 41 D 8.10 5.13 0.00 2.62 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 0.00 0.00 0.00 42 I 8.19 4.44 1.83 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 1.28 1.03 0.90 0.00 0.00 43 R 7.90 4.30 0.00 1.73 1.92 0.00 3.14 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 44 H 10.04 5.23 0.00 3.08 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.39 4.46 1.83 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 1.22 0.97 0.88 0.00 0.00 46 V 7.74 4.39 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 0.87 0.00 0.00 0.90 0.00 0.00 47 L 8.16 4.82 0.00 1.40 1.55 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.05 4.40 0.00 2.85 2.88 0.00 0.00 6.73 6.55 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 49 L 8.69 5.27 0.00 1.73 1.69 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.06 4.30 0.00 2.03 1.97 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 2.25 2.25 0.00 51 D 7.71 4.86 0.00 2.77 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 52 L 7.69 4.56 0.00 1.70 1.61 0.95 0.99 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 53 S 8.51 4.42 0.00 3.87 3.65 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 54 F 6.13 4.10 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.75 3.12 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 56 D 7.94 4.68 0.00 1.58 2.30 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 57 S 8.32 4.61 0.00 3.84 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 58 S 8.18 4.27 0.00 3.98 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 59 G 7.91 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 0.00 0.00 0.00 60 L 7.22 4.00 0.00 1.46 1.55 0.48 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.03 3.66 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 0.00 0.00 0.00 62 V 7.80 3.78 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 1.07 0.00 0.00 1.04 0.00 0.00 63 I 7.95 4.16 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 1.19 0.00 0.00 64 L 8.16 4.20 0.00 2.06 1.70 0.96 1.01 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 65 G 9.46 3.71 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 0.00 0.00 0.00 66 R 7.46 4.23 0.00 2.25 2.04 0.00 3.19 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 67 Y 7.98 3.99 0.00 3.34 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 68 K 7.70 4.27 0.00 1.99 1.92 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.60 7.81 69 Q 7.50 4.23 0.00 2.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 70 I 9.84 3.73 1.87 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 1.45 1.00 0.77 0.00 0.00 71 K 7.84 4.08 0.00 2.00 1.83 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.31 7.81 72 Q 7.50 4.05 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 73 I 7.15 4.05 1.93 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 1.61 0.76 0.90 0.00 0.00 74 G 7.65 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 75 G 7.25 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 76 E 8.56 4.61 0.00 1.73 1.68 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 2.24 2.15 0.00 77 M 8.00 4.54 0.00 0.51 1.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 78 V 7.97 4.62 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 0.87 0.00 0.00 0.82 0.00 0.00 79 V 7.42 4.40 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 0.41 0.00 0.00 0.80 0.00 0.00 80 C 7.40 4.28 0.00 2.96 2.74 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 81 A 8.69 3.62 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 82 I 7.77 4.11 2.25 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 1.03 0.00 0.00 83 S 7.79 4.57 0.00 3.85 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 84 P 0.00 4.49 0.00 2.22 2.16 0.00 3.77 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 1.99 1.97 0.00 85 A 7.70 4.78 1.23 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 86 V 7.77 4.28 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 1.00 0.00 0.00 0.92 0.00 0.00 87 K 8.28 4.16 0.00 2.16 2.23 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.67 7.81 88 R 7.78 3.91 0.00 1.95 2.17 0.00 3.02 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 89 L 7.68 3.67 0.00 1.62 0.99 0.71 0.78 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 90 F 7.62 3.99 0.00 1.51 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 0.00 0.00 0.00 0.00 91 D 7.62 4.20 0.00 2.61 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 92 M 7.61 4.12 0.00 1.94 2.07 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 2.53 2.46 0.00 93 S 7.47 4.15 0.00 3.95 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 94 G 8.00 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 0.00 0.00 0.00 95 L 7.28 4.55 0.00 1.68 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.37 4.46 0.00 3.15 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 97 K 8.19 4.04 0.00 1.79 1.89 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 98 I 8.59 3.86 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.74 0.00 0.00 99 I 7.14 3.61 2.28 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 1.35 1.54 1.07 0.00 0.00 100 R 7.85 3.21 0.00 1.95 2.15 0.00 3.25 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 101 F 7.35 4.52 0.00 2.33 2.35 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 0.00 102 E 8.28 4.29 0.00 1.85 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 2.13 2.22 0.00 103 Q 9.59 4.25 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 5.81 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 104 S 9.10 3.53 0.00 3.97 3.84 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 0.00 105 E 7.76 3.81 0.00 2.04 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 0.00 2.37 2.34 0.00 106 Q 8.34 4.13 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 107 Q 10.70 3.79 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 108 A 7.62 4.19 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 0.00 109 L 7.71 3.96 0.00 1.68 1.62 0.88 0.46 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 0.00 110 L 9.94 3.85 0.00 1.69 1.75 0.97 0.98 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 0.00 111 T 7.32 3.87 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 1.24 0.00 0.00 112 L 7.99 3.94 0.00 1.54 1.90 0.54 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.85 3.97 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 0.00 0.00 0.00 114 V 6.51 4.29 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 0.76 0.00 0.00 0.91 0.00 0.00 115 A 8.71 5.25 1.39 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 0.00 116 S 8.03 4.09 0.00 4.00 3.84 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