NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1694 8.1727 122.0520 56.3256 34.1362 174.1665 2 V 4.6348 8.1917 127.1057 60.7516 31.9784 174.5705 3 F 4.3220 9.5244 128.0791 57.4970 40.2105 174.3794 4 E 4.3037 9.4944 122.9911 55.7214 30.8642 176.9626 5 R 3.5460 8.8683 125.6903 60.2476 30.6162 179.0544 6 C 4.4644 8.3732 115.7710 59.2045 34.8926 175.7873 7 E 3.9312 7.9128 121.1544 59.2289 29.2599 178.5371 8 L 3.6014 8.2150 120.4079 57.7220 42.0635 178.4955 9 A 3.9733 7.8761 120.8239 55.5223 18.3542 179.9057 10 R 3.9203 8.0486 116.3235 59.5964 30.0783 179.5950 11 T 3.8990 7.7456 115.2540 66.6205 68.5199 176.8992 12 L 3.8814 8.1609 121.3561 57.5761 41.6462 179.5674 13 K 3.9870 8.0454 119.6956 59.4139 31.9234 178.9009 14 R 3.9771 7.8227 118.1691 59.0702 29.9843 177.3385 15 L 4.4587 7.7409 117.0651 54.1832 42.2220 176.7766 16 G 4.0325 7.6360 105.0566 47.0254 0.0000 175.5817 17 M 4.0432 7.9355 120.8860 56.3859 32.5703 176.0517 18 D 4.6310 8.0842 118.3524 55.6941 41.3871 176.1099 19 G 3.9077 9.3454 115.7773 45.2983 0.0000 171.6857 20 Y 4.1821 8.1151 121.9782 58.8153 38.7781 176.1822 21 R 3.5498 9.0980 125.4994 57.1347 27.6624 177.3876 22 G 3.8222 8.5114 105.1313 45.3898 0.0000 174.0800 23 I 3.8851 7.5012 122.1282 59.3738 37.9381 175.9975 24 S 4.5442 8.1524 120.1574 57.6367 64.1084 174.8574 25 L 4.1297 8.8288 123.1762 58.7366 41.9077 179.2061 26 A 4.1485 8.2214 119.9065 55.5843 18.2739 179.1194 27 N 4.5245 7.9766 114.1798 55.8759 38.5147 177.7751 28 W 4.5203 8.0745 120.7739 59.8742 29.1061 178.4952 29 M 4.2233 8.1747 118.2934 58.5772 31.4981 179.1206 30 C 3.2972 7.7947 118.2346 59.1831 42.5661 175.3728 31 L 4.1736 8.0933 121.2517 58.2938 41.7353 178.7714 32 A 4.4191 8.6307 120.9987 55.1320 18.3578 179.3686 33 K 3.2540 8.7128 118.5021 59.5254 32.1631 179.1314 34 W 4.4086 8.1888 117.5999 58.8815 29.0363 178.1766 35 E 4.4168 8.2738 118.7779 58.4530 29.1166 177.4999 36 S 4.5390 8.2349 109.9536 56.5284 64.5771 174.9859 37 G 3.4130 8.7379 109.2725 46.6126 0.0000 173.4017 38 Y 3.8164 8.0154 114.0558 58.5292 35.2301 168.0621 39 N 5.3230 7.6262 119.1628 51.9586 39.9005 175.7788 40 T 4.0981 9.0326 117.4590 63.9290 69.0801 175.8265 41 R 4.4296 7.9355 119.6050 55.8468 30.6575 176.2710 42 A 4.4142 7.7424 121.3615 52.5436 19.4422 177.1086 43 T 5.1693 8.0803 108.9601 61.0397 72.3511 173.0404 44 N 4.5816 8.1355 119.4839 53.1174 42.2908 172.4401 45 Y 4.6773 8.7174 128.5852 57.2792 40.8365 173.7178 46 N 4.6818 9.0520 125.4328 51.2977 39.2474 175.7159 47 A 3.8397 7.9326 127.5394 54.0053 18.4674 178.4261 48 G 3.6875 7.7307 104.5266 48.1023 0.0000 173.8864 49 D 4.7605 7.7142 117.7018 51.5198 39.8017 176.1740 50 R 3.6654 7.3850 115.9103 57.8888 28.2240 175.9249 51 S 4.9112 7.6267 110.7445 56.9832 66.4910 172.7647 52 T 5.0615 8.8270 115.8554 61.8716 72.6301 173.2354 53 D 5.0041 9.0140 126.6385 54.0366 42.5045 175.0568 54 Y 4.8514 9.0270 120.8962 57.3781 41.9012 177.2954 55 G 4.3948 8.7603 111.2459 46.0147 0.0000 173.7392 56 I 4.2269 8.0561 116.7733 62.7203 37.8146 176.8509 57 F 4.9151 7.7700 115.7581 56.4335 40.4447 174.8751 58 Q 3.6187 7.7815 118.5525 57.0216 26.2994 174.1439 59 I 4.1749 7.9737 119.3168 60.9278 38.9380 177.4264 60 N 5.2283 9.2106 125.9982 53.8693 40.0355 175.2644 61 S 4.9445 8.5303 117.6493 58.8523 63.4865 175.0832 62 R 3.8595 8.4051 122.1314 58.9368 29.7643 177.1624 63 Y 4.4353 7.7418 112.6018 57.1036 41.2128 177.0652 64 W 5.1547 8.1560 117.6801 57.8950 30.9970 173.9138 65 C 5.4710 8.2479 112.4562 53.4636 43.2292 172.5972 66 N 4.9400 9.6923 120.7191 52.5429 39.2504 174.8071 67 D 4.5245 8.8395 125.2110 52.3491 40.2105 177.5640 68 G 3.9713 8.4303 107.6600 46.2044 0.0000 174.4926 69 K 4.5637 9.4968 116.9245 56.5268 33.9672 175.8447 70 T 4.3579 7.9311 116.8391 61.3690 69.1663 172.5811 71 P 4.1780 0.0000 0.0000 64.4524 31.2252 176.2298 72 G 3.6774 8.8065 112.5139 45.8543 0.0000 172.8941 73 A 4.7524 7.7488 120.3561 51.4260 19.1057 178.2730 74 V 4.0188 7.8642 117.8602 61.9516 34.4657 175.2182 75 N 4.1301 8.0494 116.2999 54.6874 36.5397 174.3868 76 A 4.2165 9.4149 119.0900 53.8024 18.9281 177.7714 77 C 4.7471 7.9920 111.7162 55.9504 41.9899 173.3322 78 H 4.1290 7.9164 116.3619 56.5563 26.3516 174.4137 79 L 4.8443 9.3127 118.8076 52.8694 46.3606 176.5644 80 S 4.8119 8.3974 116.1552 57.6908 64.4352 175.9669 81 C 4.0842 8.8603 122.5359 60.0349 34.0637 176.6806 82 S 3.9146 7.8530 115.0029 60.9324 62.5077 175.7558 83 A 4.2302 8.1454 123.3844 53.5968 18.2300 177.6907 84 L 4.5740 7.5008 116.8536 54.5316 41.8250 177.2979 85 L 5.1586 7.8024 116.7610 54.5837 42.5363 176.4157 86 Q 4.6282 7.7840 117.2849 54.2298 30.7290 175.6824 87 D 4.4436 8.5135 119.1976 57.1312 41.0924 176.9938 88 N 4.6429 8.0817 117.8923 53.0895 39.6223 174.2419 89 I 4.2964 8.3557 117.2822 60.6499 38.3427 177.0087 90 A 4.0555 8.5039 125.3836 55.6723 17.9448 179.9463 91 D 4.3040 8.0365 116.8490 57.3141 41.0488 178.5953 92 A 4.1148 7.8233 120.8959 54.9391 18.4860 179.7357 93 V 3.1840 8.3416 117.2246 65.7398 31.6472 178.2061 94 A 3.7445 7.6390 120.3884 55.3713 18.2594 178.8592 95 C 4.1883 8.0763 116.9671 59.4749 44.1949 175.6175 96 L 3.4638 7.7006 122.2514 57.8506 41.6338 178.9370 97 K 3.5008 7.5565 118.4921 59.2538 31.6031 179.2559 98 R 3.8559 7.4271 117.7173 59.4920 30.1453 178.3852 99 V 2.5479 7.1164 116.9355 65.4433 31.6772 177.8699 100 V 3.8575 7.8677 118.0227 63.2778 31.3407 176.5498 101 R 4.2461 7.6051 119.1524 56.5358 30.9074 175.0590 102 D 5.0116 7.6255 117.0582 51.0819 43.7873 175.7124 103 P 4.1030 0.0000 0.0000 66.1105 31.2390 178.1567 104 Q 4.0521 8.1146 117.1675 56.7007 30.4218 177.5567 105 G 3.7545 7.5381 106.5109 45.8465 0.0000 176.1781 106 I 3.3996 7.9025 120.5244 63.4887 37.9637 178.1357 107 R 4.1163 7.7648 118.0019 58.8047 30.0938 177.2920 108 A 4.0137 7.7994 120.4494 55.3131 18.4325 177.6842 109 H 4.6495 8.4210 114.1588 54.6897 29.3336 176.2253 110 V 3.6474 8.5253 126.4759 65.9087 31.5016 177.3495 111 A 4.0028 8.1936 119.9962 55.2833 18.1769 179.3690 112 W 4.0453 8.3406 125.8820 60.2148 30.5723 178.4229 113 R 3.5664 7.6563 117.7978 58.9541 29.7498 177.9449 114 N 4.4974 7.9907 113.0584 53.8457 38.9806 175.8131 115 R 4.0057 7.3710 116.6527 55.4588 32.6103 175.4673 116 C 4.4171 7.2500 112.3736 57.9227 43.3504 174.2121 117 Q 3.2294 6.7041 119.7238 57.4041 28.5689 176.1496 118 N 4.2220 8.6914 120.1749 53.7366 36.2358 173.7722 119 R 4.5463 7.3941 116.6544 53.8118 32.8688 175.1221 120 D 4.5412 8.4640 119.3545 54.5273 41.0766 176.2832 121 V 4.7777 8.2785 119.5932 61.3378 32.6249 177.9292 122 R 4.1705 8.4613 122.2433 58.7609 29.9640 179.2101 123 Q 4.0388 8.1646 116.1100 59.0995 28.7847 178.0804 124 Y 4.1948 7.7753 114.9539 60.1062 38.2860 177.0034 125 V 4.3861 7.6562 110.4955 60.7241 33.0035 175.1549 126 Q 4.2041 7.6548 120.2343 58.1348 28.3256 176.5131 127 G 4.0530 9.0061 112.5349 45.5165 0.0000 174.4402 128 C 4.4014 7.9249 115.5299 57.3700 40.4437 173.8170 129 G 3.9584 7.9360 107.0887 46.5440 0.0000 173.9799 130 V 3.9455 7.9245 117.5460 61.1186 31.7879 176.2715 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 K 8.17 4.17 0.00 1.89 1.67 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.19 7.81 2 V 8.19 4.63 2.10 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 0.92 0.00 0.00 0.99 0.00 0.00 3 F 9.52 4.32 0.00 2.83 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 4 E 9.49 4.30 0.00 2.04 1.83 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 2.32 2.42 0.00 5 R 8.87 3.55 0.00 2.11 1.95 0.00 3.34 0.00 0.00 3.46 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.09 0.00 6 C 8.37 4.46 0.00 3.03 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 7 E 7.91 3.93 0.00 2.27 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 2.45 2.35 0.00 8 L 8.21 3.60 0.00 1.37 1.40 0.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.88 3.97 1.44 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 10 R 8.05 3.92 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 11 T 7.75 3.90 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 1.18 0.00 0.00 12 L 8.16 3.88 0.00 1.62 1.62 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.05 3.99 0.00 2.05 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 14 R 7.82 3.98 0.00 2.08 2.04 0.00 3.31 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 L 7.74 4.46 0.00 1.68 1.53 0.84 0.74 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 16 G 7.64 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 0.00 0.00 0.00 17 M 7.94 4.04 0.00 1.67 2.04 0.00 0.00 0.00 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 18 D 8.08 4.63 0.00 2.69 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 19 G 9.35 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 20 Y 8.12 4.18 0.00 3.40 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 21 R 9.10 3.55 0.00 1.66 1.88 0.00 3.22 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.21 0.00 22 G 8.51 3.82 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 0.00 0.00 0.00 23 I 7.50 3.89 1.29 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 -0.50 0.00 0.00 24 S 8.15 4.54 0.00 4.01 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 25 L 8.83 4.13 0.00 2.04 1.81 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 4.15 1.52 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 0.00 0.00 27 N 7.98 4.52 0.00 2.67 2.63 0.00 0.00 6.96 7.86 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 28 W 8.07 4.52 0.00 3.54 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 29 M 8.17 4.22 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.80 0.00 30 C 7.79 3.30 0.00 2.61 3.19 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 31 L 8.09 4.17 0.00 2.15 2.10 0.81 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.63 4.42 1.71 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 33 K 8.71 3.25 0.00 1.83 2.02 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.55 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.32 0.98 7.81 34 W 8.19 4.41 0.00 3.36 3.31 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 35 E 8.27 4.42 0.00 2.20 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 2.71 2.68 0.00 36 S 8.23 4.54 0.00 4.12 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 0.00 37 G 8.74 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.02 3.82 0.00 3.25 3.17 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 0.00 39 N 7.63 5.32 0.00 2.81 2.77 0.00 0.00 6.99 7.10 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 40 T 9.03 4.10 4.41 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 0.00 0.00 0.00 1.44 0.00 0.00 41 R 7.94 4.43 0.00 1.88 2.02 0.00 3.35 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 A 7.74 4.41 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 43 T 8.08 5.17 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 1.28 0.00 0.00 44 N 8.14 4.58 0.00 2.79 2.73 0.00 0.00 6.54 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 45 Y 8.72 4.68 0.00 3.09 2.77 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 0.00 0.00 0.00 46 N 9.05 4.68 0.00 2.47 2.60 0.00 0.00 6.57 7.88 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 47 A 7.93 3.84 1.38 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 0.00 0.00 48 G 7.73 3.69 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 0.00 0.00 0.00 49 D 7.71 4.76 0.00 2.68 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 50 R 7.38 3.67 0.00 2.01 2.18 0.00 3.23 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 51 S 7.63 4.91 0.00 3.88 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 52 T 8.83 5.06 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 0.61 0.00 0.00 53 D 9.01 5.00 0.00 2.67 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 54 Y 9.03 4.85 0.00 2.97 2.85 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 55 G 8.76 4.39 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 56 I 8.06 4.23 1.64 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 0.98 0.33 -0.29 0.00 0.00 57 F 7.77 4.92 0.00 3.08 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 58 Q 7.78 3.62 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.76 0.00 59 I 7.97 4.17 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.71 1.08 0.00 0.00 60 N 9.21 5.23 0.00 3.05 3.18 0.00 0.00 6.95 7.63 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 61 S 8.53 4.94 0.00 4.04 4.38 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 62 R 8.41 3.86 0.00 1.53 1.19 0.00 2.67 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 63 Y 7.74 4.44 0.00 1.57 2.40 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 64 W 8.16 5.15 0.00 3.66 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 65 C 8.25 5.47 0.00 3.12 3.21 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 0.00 66 N 9.69 4.94 0.00 2.74 2.82 0.00 0.00 7.15 8.37 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 67 D 8.84 4.52 0.00 2.74 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 68 G 8.43 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 69 K 9.50 4.56 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.63 1.70 7.81 70 T 7.93 4.36 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 1.16 0.00 0.00 71 P 0.00 4.18 0.00 2.15 2.09 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 72 G 8.81 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 0.00 0.00 0.00 0.00 73 A 7.75 4.75 1.29 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 0.00 0.00 0.00 74 V 7.86 4.02 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 0.77 0.00 0.00 0.92 0.00 0.00 75 N 8.05 4.13 0.00 2.91 2.79 0.00 0.00 7.12 7.91 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 76 A 9.41 4.22 1.13 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 77 C 7.99 4.75 0.00 3.45 3.17 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 0.00 78 H 7.92 4.13 0.00 3.31 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.31 4.84 0.00 1.59 1.50 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.40 4.81 0.00 3.95 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 81 C 8.86 4.08 0.00 2.33 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 82 S 7.85 3.91 0.00 4.02 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 83 A 8.15 4.23 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 84 L 7.50 4.57 0.00 1.96 1.75 1.01 0.36 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 85 L 7.80 5.16 0.00 1.82 1.66 1.23 0.83 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 86 Q 7.78 4.63 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 7.09 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 87 D 8.51 4.44 0.00 2.65 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 88 N 8.08 4.64 0.00 2.70 2.74 0.00 0.00 6.87 7.94 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 89 I 8.36 4.30 1.81 0.00 0.00 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 1.31 1.03 0.94 0.00 0.00 90 A 8.50 4.06 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 91 D 8.04 4.30 0.00 2.71 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 92 A 7.82 4.11 1.44 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 93 V 8.34 3.18 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 0.75 0.00 0.00 0.90 0.00 0.00 94 A 7.64 3.74 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 95 C 8.08 4.19 0.00 3.09 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 96 L 7.70 3.46 0.00 1.32 1.05 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.56 3.50 0.00 1.61 1.03 0.00 1.35 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.45 1.16 7.81 98 R 7.43 3.86 0.00 1.82 2.01 0.00 3.42 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 99 V 7.12 2.55 1.66 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 0.25 0.00 0.00 -0.53 0.00 0.00 100 V 7.87 3.86 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 1.04 0.00 0.00 1.08 0.00 0.00 101 R 7.61 4.25 0.00 2.21 2.01 0.00 3.29 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 102 D 7.63 5.01 0.00 3.02 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 0.00 103 P 0.00 4.10 0.00 2.04 2.13 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 104 Q 8.11 4.05 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 105 G 7.54 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 0.00 106 I 7.90 3.40 0.97 0.00 0.00 -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 -0.30 0.56 -0.48 0.00 0.00 107 R 7.76 4.12 0.00 1.99 2.06 0.00 3.33 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 108 A 7.80 4.01 1.38 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 0.00 0.00 109 H 8.42 4.65 0.00 3.42 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.53 3.65 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 1.19 0.00 0.00 0.98 0.00 0.00 111 A 8.19 4.00 1.54 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 0.00 112 W 8.34 4.05 0.00 3.46 3.41 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 0.00 0.00 0.00 0.00 113 R 7.66 3.57 0.00 2.01 1.94 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 114 N 7.99 4.50 0.00 2.53 2.71 0.00 0.00 6.88 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 0.00 115 R 7.37 4.01 0.00 1.47 0.66 0.00 2.21 0.00 0.00 2.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 116 C 7.25 4.42 0.00 1.70 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 0.00 117 Q 6.70 3.23 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.22 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 118 N 8.69 4.22 0.00 2.77 2.84 0.00 0.00 6.94 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 0.00 119 R 7.39 4.55 0.00 1.80 1.77 0.00 2.96 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 120 D 8.46 4.54 0.00 2.64 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 0.00 121 V 8.28 4.78 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 1.02 0.00 0.00 1.02 0.00 0.00 122 R 8.46 4.17 0.00 2.10 2.02 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 123 Q 8.16 4.04 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.90 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 124 Y 7.78 4.19 0.00 3.30 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 0.00 125 V 7.66 4.39 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 1.03 0.00 0.00 1.07 0.00 0.00 126 Q 7.65 4.20 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.36 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 127 G 9.01 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 0.00 128 C 7.92 4.40 0.00 3.18 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 0.00 129 G 7.94 3.96 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 0.00 0.00 0.00 130 V 7.92 3.95 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 0.74 0.00 0.00 0.97 0.00 0.00