NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.0820 8.0976 119.6891 56.2980 31.7327 174.3093 5 T 4.4007 8.0007 112.9097 59.5045 71.8268 171.7833 6 W 5.2385 9.2443 121.8844 55.1727 34.2779 175.6145 7 R 5.3402 8.6398 119.5497 54.6874 34.6900 173.9058 8 E 5.3613 8.9140 117.1555 54.8240 33.3835 174.4693 9 A 5.0436 8.9975 121.8157 50.1616 23.0094 175.3516 10 D 5.0184 9.2103 120.6856 54.5534 40.2406 176.1203 11 I 4.3903 8.2930 122.0527 59.9296 40.8612 175.4011 12 N 4.2198 8.5021 119.6256 54.4386 35.9534 173.3679 13 Y 4.4566 7.3042 117.7856 56.8913 39.6868 173.4875 14 T 4.1218 7.3950 121.5013 64.0760 71.0004 174.1019 15 S 4.1742 7.0181 112.1409 58.0235 66.3712 175.0431 16 G 3.7106 8.4407 106.4361 45.1429 0.0000 173.4660 17 F 4.6845 8.0960 120.9551 57.1698 39.7536 175.4391 18 R 4.4060 8.7970 122.2099 56.4821 30.6173 175.8534 19 N 5.1851 8.5062 117.4440 51.5656 40.0600 174.1547 20 S 4.5986 8.4312 110.9571 58.8261 64.2285 173.2421 21 D 5.4502 8.3779 122.3839 54.0452 42.2550 175.7643 22 R 4.9232 9.4041 121.1463 54.7756 35.3210 173.6268 23 I 5.1009 9.0888 122.5990 59.4709 40.6952 174.1558 24 L 5.4786 9.6627 129.1909 53.1263 44.4971 175.0578 25 Y 5.7085 8.9964 121.6290 55.4212 41.7762 175.0924 26 S 3.9800 8.4282 117.3193 56.1393 65.5070 175.0533 27 S 3.5609 7.7568 114.2026 59.8494 62.8019 174.7175 28 D 4.7366 7.2551 119.4383 52.3539 39.3263 175.7487 29 W 3.6470 6.8871 116.8586 58.3229 27.0955 174.6338 30 L 4.4900 7.8158 117.7618 54.9789 42.7470 176.7976 31 I 5.5392 8.4222 121.9144 60.2917 41.5085 173.8362 32 Y 5.4351 10.1939 124.3426 56.0971 42.6602 174.2841 33 K 5.3290 9.4191 118.9321 55.7076 36.5167 175.2076 34 T 4.8607 8.9980 115.9279 60.4898 70.7076 174.0759 35 T 4.8870 8.7653 115.0595 60.2285 69.8035 173.4122 36 D 4.7421 7.2510 121.7312 53.9490 40.3850 174.7093 37 H 3.7902 8.6935 114.4548 58.7457 28.3310 174.2408 38 Y 3.1547 7.5012 113.2123 58.4353 36.8605 171.5695 39 Q 4.1362 7.8840 119.8261 58.6186 28.9206 176.5550 40 T 4.7811 8.0565 105.7242 59.7417 71.8636 172.9610 41 F 5.2571 8.8413 120.3451 56.1613 42.6753 174.5708 42 T 4.8648 9.0415 118.2181 61.4803 72.2980 173.5765 43 K 3.5345 8.5497 125.1651 55.8883 32.8787 176.7619 44 I 3.8107 8.5012 126.9918 61.6086 37.4229 176.4283 45 R 4.3495 8.4261 124.6929 54.0222 29.2604 174.8999 46 C 4.5259 8.2316 126.0372 59.5014 34.1272 173.7739 47 A 4.2943 7.6064 131.7653 52.5904 23.4779 179.1377 48 Q 4.5760 9.0729 119.8716 56.2609 30.5305 175.8836 49 V 3.9873 8.1598 125.1200 62.6088 29.8901 174.7937 50 I 4.1470 8.0722 124.2079 62.1653 38.5259 176.1995 51 N 5.0008 7.7427 117.1198 51.2394 40.8858 175.4860 52 T 3.9484 8.2402 109.9742 64.4262 68.9084 176.6422 53 F 4.1725 8.1289 120.5064 60.7135 39.0385 177.0093 54 D 4.5588 8.4791 118.0044 57.3072 40.7728 178.9787 55 G 3.7414 8.3702 106.5280 48.1281 0.0000 175.8851 56 V 3.7722 8.1238 120.9339 65.2802 31.5364 177.9732 57 A 4.0952 8.2302 120.7984 55.2285 18.0986 179.0766 58 D 4.3779 8.3936 116.4014 57.0363 41.2283 177.9781 59 Y 4.0821 7.9547 120.1591 60.7119 38.8005 177.6357 60 L 4.2400 8.4525 120.3409 58.1884 41.5189 179.6909 61 Q 3.7285 7.8792 116.8045 58.7665 28.6438 178.4555 62 T 3.7374 7.0933 116.1338 65.6869 68.7513 175.7866 63 Y 4.2916 7.6514 115.6757 56.5758 39.7229 175.2858 64 H 2.9734 8.3742 116.1997 55.7656 26.4143 174.3013 65 K 4.5983 7.5953 114.5464 56.1714 34.7143 174.5855 66 L 4.1110 8.4272 119.7794 53.6236 40.9202 175.3628 67 P 3.5727 0.0000 0.0000 62.5643 31.7224 176.9772 68 D 4.3187 8.2597 117.8178 56.4146 41.1953 177.9131 69 N 4.6459 7.5751 115.8614 53.2098 37.1600 173.4834 70 Y 5.3066 7.4666 116.8097 56.5087 40.3335 175.2298 71 I 4.9508 8.7991 116.6000 59.0050 41.6470 175.1083 72 T 4.7115 8.8332 114.7436 61.5263 70.0030 175.6008 73 K 4.0414 9.2108 121.1575 59.6280 31.9917 180.0210 74 S 4.2323 8.1227 114.0593 61.3426 62.7049 176.3145 75 E 4.0045 8.0689 122.1486 59.1722 29.2307 179.0101 76 A 4.0780 8.0467 120.9037 55.1992 18.2959 179.7492 77 Q 4.1989 8.7133 116.5893 59.2175 28.6379 178.5922 78 A 3.5893 7.9692 120.5817 54.8629 18.3119 178.6332 79 L 4.5472 7.3774 113.6451 54.2214 42.0011 176.8659 80 G 3.8575 8.9683 107.9389 45.9137 0.0000 173.9430 81 W 4.4764 8.1126 129.7572 56.8194 31.2799 175.6640 82 V 3.7732 9.2581 124.9656 60.4862 32.2449 175.5756 83 A 3.8754 7.5018 130.8703 55.2834 18.5424 178.4948 84 S 4.3719 8.1780 110.5443 61.9682 63.0340 176.3376 85 K 4.1491 8.0855 117.5737 58.2120 31.9820 178.0715 86 G 3.6438 8.4033 105.6986 46.5381 0.0000 173.2197 87 N 5.1356 8.1367 112.6121 51.6469 38.2727 176.4348 88 L 4.0266 8.4158 122.7332 58.8819 41.9464 178.1941 89 A 4.2414 8.0704 117.4495 53.7136 18.3874 178.4245 90 D 4.5110 8.2885 118.5169 56.9426 41.2891 179.0510 91 V 3.9916 7.7733 109.8965 62.3643 33.4546 176.8717 92 A 4.6586 7.9563 121.5037 49.6003 19.6231 172.4976 93 P 4.4850 0.0000 0.0000 63.2944 32.1959 177.3849 94 G 3.8395 8.7548 109.9428 45.7558 0.0000 173.2823 95 K 4.6277 7.6039 118.3871 55.3479 33.7666 176.0347 96 S 4.6499 8.6590 117.8103 56.4362 67.4292 173.3242 97 I 4.3689 7.8162 122.0240 61.1072 38.0341 175.5829 98 G 4.1230 9.0277 112.2245 47.0872 0.0000 173.6576 99 G 4.3385 9.5697 109.6975 44.4429 0.0000 174.1056 100 D 4.6916 7.9560 119.8567 53.6735 42.3394 175.8782 101 I 4.1307 8.4392 122.3008 62.0445 37.9112 175.1060 102 F 4.8418 8.8618 128.4459 56.6534 41.0948 174.9453 103 S 4.1793 8.2852 121.1280 57.7087 63.5965 173.3388 104 N 3.3627 5.7700 118.4612 54.2136 37.0097 175.8358 105 R 3.7828 7.2455 116.7294 59.1269 30.6361 178.2106 106 E 4.0897 8.0082 114.5819 56.2369 29.8496 176.9152 107 G 3.8298 7.7777 106.8551 46.2874 0.0000 175.3477 108 K 4.0349 7.9786 121.0616 58.0623 32.4459 177.5676 109 L 3.8663 7.0981 117.5409 51.8332 42.8617 174.5482 110 P 4.1776 0.0000 0.0000 63.0998 31.5890 176.9108 111 G 3.8479 8.5334 111.5965 45.0371 0.0000 173.1952 112 K 4.6653 8.3395 118.5474 56.0337 32.2397 176.4979 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 4 R 8.10 4.08 0.00 1.94 1.58 0.00 2.71 0.00 0.00 3.60 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 5 T 8.00 4.40 4.14 0.00 0.00 0.00 0.00 0.00 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 6 W 9.24 5.24 0.00 3.59 3.18 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 7 R 8.64 5.34 0.00 0.67 1.37 0.00 3.04 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 8 E 8.91 5.36 0.00 2.03 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 2.43 2.34 0.00 9 A 9.00 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.21 5.02 0.00 2.71 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 11 I 8.29 4.39 1.34 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 -0.17 0.00 0.00 12 N 8.50 4.22 0.00 2.82 2.87 0.00 0.00 6.86 7.46 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 13 Y 7.30 4.46 0.00 2.91 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 14 T 7.40 4.12 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 1.06 0.00 0.00 15 S 7.02 4.17 0.00 3.80 3.62 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 16 G 8.44 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 17 F 8.10 4.68 0.00 3.17 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 18 R 8.80 4.41 0.00 1.99 1.98 0.00 3.42 0.00 0.00 3.59 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.75 0.00 19 N 8.51 5.19 0.00 2.84 2.94 0.00 0.00 6.00 7.64 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 20 S 8.43 4.60 0.00 3.97 4.08 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 21 D 8.38 5.45 0.00 2.90 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 22 R 9.40 4.92 0.00 1.59 1.79 0.00 3.35 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.00 23 I 9.09 5.10 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.94 1.11 0.00 0.00 24 L 9.66 5.48 0.00 1.62 1.46 0.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.00 5.71 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 3.98 0.00 2.72 2.63 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 27 S 7.76 3.56 0.00 3.77 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 28 D 7.26 4.74 0.00 2.74 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 29 W 6.89 3.65 0.00 3.49 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 30 L 7.82 4.49 0.00 1.50 2.00 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.42 5.54 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.23 1.21 0.00 0.00 32 Y 10.19 5.44 0.00 2.84 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 33 K 9.42 5.33 0.00 1.36 1.72 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.57 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.08 0.77 7.81 34 T 9.00 4.86 3.58 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 0.86 0.00 0.00 35 T 8.77 4.89 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 1.14 0.00 0.00 36 D 7.25 4.74 0.00 2.82 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 37 H 8.69 3.79 0.00 3.19 3.32 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.50 3.15 0.00 3.17 3.18 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 39 Q 7.88 4.14 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 40 T 8.06 4.78 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 1.19 0.00 0.00 41 F 8.84 5.26 0.00 2.86 3.04 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 42 T 9.04 4.86 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 1.18 0.00 0.00 43 K 8.55 3.53 0.00 1.37 1.13 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.13 7.81 44 I 8.50 3.81 2.00 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 1.36 0.87 0.97 0.00 0.00 45 R 8.43 4.35 0.00 1.84 1.87 0.00 3.00 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 46 C 8.23 4.53 0.00 2.98 2.91 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 47 A 7.61 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 9.07 4.58 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.37 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 49 V 8.16 3.99 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 0.90 0.00 0.00 0.97 0.00 0.00 50 I 8.07 4.15 1.90 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 1.49 0.74 0.94 0.00 0.00 51 N 7.74 5.00 0.00 2.97 3.02 0.00 0.00 6.83 6.92 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 52 T 8.24 3.95 4.16 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 0.00 0.00 1.20 0.00 0.00 53 F 8.13 4.17 0.00 3.34 3.15 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 0.00 0.00 0.00 0.00 54 D 8.48 4.56 0.00 3.00 2.78 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 55 G 8.37 3.74 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 0.00 0.00 0.00 56 V 8.12 3.77 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 1.10 0.00 0.00 1.06 0.00 0.00 57 A 8.23 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.38 0.00 2.94 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 59 Y 7.95 4.08 0.00 3.30 3.15 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 0.00 0.00 0.00 0.00 60 L 8.45 4.24 0.00 1.96 1.86 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.88 3.73 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 62 T 7.09 3.74 3.68 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 0.34 0.00 0.00 63 Y 7.65 4.29 0.00 2.40 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 64 H 8.37 2.97 0.00 3.08 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.60 4.60 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 66 L 8.43 4.11 0.00 1.66 1.56 0.65 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 3.57 0.00 2.28 1.44 0.00 3.59 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 2.03 1.28 0.00 68 D 8.26 4.32 0.00 2.64 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 69 N 7.58 4.65 0.00 2.86 2.84 0.00 0.00 6.64 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 70 Y 7.47 5.31 0.00 2.80 2.84 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 71 I 8.80 4.95 1.94 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 1.27 0.58 0.90 0.00 0.00 72 T 8.83 4.71 4.43 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 1.31 0.00 0.00 73 K 9.21 4.04 0.00 1.97 2.15 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.26 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.79 1.52 7.81 74 S 8.12 4.23 0.00 4.10 4.19 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 75 E 8.07 4.00 0.00 2.19 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 0.00 2.35 2.35 0.00 76 A 8.05 4.08 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.71 4.20 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.94 0.00 78 A 7.97 3.59 1.45 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 0.00 0.00 0.00 79 L 7.38 4.55 0.00 1.89 1.74 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.97 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 81 W 8.11 4.48 0.00 3.28 3.27 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 0.00 82 V 9.26 3.77 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 0.90 0.00 0.00 0.94 0.00 0.00 83 A 7.50 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.18 4.37 0.00 3.87 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 85 K 8.09 4.15 0.00 1.92 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 86 G 8.40 3.64 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 0.00 0.00 0.00 87 N 8.14 5.14 0.00 3.06 3.06 0.00 0.00 6.36 6.67 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 88 L 8.42 4.03 0.00 1.78 1.89 0.27 0.25 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 89 A 8.07 4.24 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 90 D 8.29 4.51 0.00 2.93 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 91 V 7.77 3.99 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.10 0.00 0.00 92 A 7.96 4.66 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 93 P 0.00 4.48 0.00 2.03 1.99 0.00 3.76 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 2.01 2.08 0.00 94 G 8.75 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 0.00 0.00 0.00 95 K 7.60 4.63 0.00 1.86 1.62 0.00 1.43 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 96 S 8.66 4.65 0.00 3.15 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 97 I 7.82 4.37 1.70 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.31 0.84 0.00 0.00 98 G 9.03 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 9.57 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 7.96 4.69 0.00 2.69 2.66 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 0.00 101 I 8.44 4.13 1.88 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 1.22 0.48 0.90 0.00 0.00 102 F 8.86 4.84 0.00 2.90 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 0.00 103 S 8.29 4.18 0.00 3.60 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 0.00 104 N 5.77 3.36 0.00 2.38 2.47 0.00 0.00 7.16 7.65 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 0.00 105 R 7.25 3.78 0.00 1.64 1.84 0.00 3.04 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 106 E 8.01 4.09 0.00 1.98 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 2.27 2.28 0.00 107 G 7.78 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 0.00 108 K 7.98 4.03 0.00 1.73 1.95 0.00 2.07 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 109 L 7.10 3.87 0.00 0.65 0.37 -0.92 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.18 0.00 2.34 2.17 0.00 3.71 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 111 G 8.53 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 0.00 112 K 8.34 4.67 0.00 1.74 1.69 0.00 1.63 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.72 7.81