NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6606 8.3649 120.1924 54.2808 42.4235 175.3474 2 C 4.8558 8.3022 119.1944 52.1542 39.3494 171.9247 3 P 4.3553 0.0000 0.0000 63.2668 32.0244 175.2033 4 S 4.1449 8.5230 116.0460 60.1170 62.9938 173.6023 5 G 4.3963 9.0807 122.0648 45.2502 0.0000 173.5433 6 W 4.4313 8.1615 119.4411 56.8402 29.5092 175.8631 7 S 4.9231 10.3633 121.6111 57.8637 64.5585 172.9267 8 S 5.5136 8.8816 116.7171 57.0381 64.3812 173.0582 9 Y 4.1247 9.2066 127.5815 57.2684 41.4504 174.6628 10 E 3.3648 9.0420 128.5264 57.3985 27.1380 174.5635 11 G 3.8462 8.3734 98.7790 46.4724 0.0000 173.0502 12 N 5.0263 7.8820 114.4947 51.5446 43.9543 173.1113 13 C 5.6299 9.1597 118.7379 55.8043 41.0106 172.9575 14 Y 5.5029 10.1078 122.8048 56.7281 40.9539 174.7954 15 K 4.2861 8.6863 120.8353 55.2508 36.0387 174.1021 16 F 5.0818 8.3166 128.7733 56.7717 41.2020 174.6818 17 F 3.7805 7.8569 124.0453 55.2154 40.9123 176.3398 18 Q 3.4251 7.9946 123.6266 58.4703 28.7637 174.5601 19 Q 3.9094 7.6677 119.3772 55.8737 29.2206 176.6751 20 K 4.4867 8.4731 125.7686 56.8687 32.9550 176.3273 21 M 5.0619 9.4199 124.3183 53.6902 37.5662 174.2582 22 N 5.9656 8.4216 116.8192 51.0887 39.2256 175.5744 23 W 2.8677 7.8372 126.8011 60.4097 30.2843 177.5581 24 A 3.6780 7.8863 119.8600 55.2182 17.8985 179.1916 25 D 4.1253 8.3440 117.2254 57.3432 40.5777 178.7940 26 A 3.1557 7.5614 121.1831 54.1852 18.1454 179.4392 27 E 3.4234 7.1799 118.1519 59.0726 29.4095 178.7744 28 R 3.6766 7.6079 117.7491 59.5796 30.2545 177.8640 29 F 3.9231 7.6636 118.5978 61.4509 39.4842 176.0258 30 C 4.5946 7.7606 116.0963 58.9030 40.1642 174.2029 31 S 5.1813 7.5173 116.3130 57.3857 64.1249 174.9595 32 E 4.5458 7.7283 117.1701 58.2212 34.1514 175.8685 33 Q 4.3385 7.3531 116.5273 55.4099 29.8366 175.0376 34 A 4.0595 6.9234 118.4492 51.1643 21.3806 175.6558 35 K 3.8836 8.5229 121.7400 57.0791 32.5144 177.1031 36 G 3.6593 8.7889 115.9902 46.7331 0.0000 172.7273 37 G 4.6809 7.3069 106.0103 42.1600 0.0000 171.5415 38 H 5.1021 8.1801 116.4429 54.6423 33.2191 172.0319 39 L 4.6374 8.3984 119.9552 55.1806 41.9636 177.7764 40 V 4.0602 8.7174 123.9944 61.7952 32.9184 175.2924 41 S 4.9554 8.8560 115.6551 56.5546 65.3691 173.2502 42 I 4.6006 8.2571 124.7143 59.3847 39.4165 176.2024 43 K 4.1583 9.3097 124.8038 56.2925 30.1215 180.7217 44 I 2.2470 6.5695 119.9354 61.7021 41.3085 174.5429 45 Y 4.9372 7.1661 116.0113 56.5770 38.3242 174.1420 46 S 4.9139 8.3076 116.6042 55.6532 66.8037 175.9465 47 K 4.1738 8.5379 120.2325 58.6150 31.8159 178.0553 48 E 3.2483 7.9775 118.7362 59.0161 29.3890 178.6825 49 K 4.0538 8.0670 119.1918 60.2266 32.6431 178.9394 50 D 4.0905 8.0733 119.8360 56.8578 40.4242 178.2265 51 F 3.8252 7.7410 120.7942 61.3058 39.3125 177.4395 52 V 3.4232 8.0769 117.9702 65.9966 31.3380 177.7089 53 G 4.2135 8.8946 106.5987 47.9577 0.0000 175.1784 54 D 4.2987 8.7544 121.5791 56.1908 40.8253 178.5471 55 L 3.5219 8.4263 121.9329 58.2886 41.9202 179.5057 56 V 2.9066 7.7195 117.6087 66.1385 31.2583 177.7524 57 T 3.8474 7.4149 114.0024 66.9014 68.3614 176.2820 58 K 3.9973 7.7896 118.9464 59.5580 32.2547 179.0237 59 N 4.2558 7.2443 115.4217 55.3544 38.9493 175.7432 60 I 3.4226 5.9464 120.1433 61.4041 38.4558 174.5957 61 Q 4.5549 8.1558 122.0333 56.2334 32.7661 177.8292 62 S 4.1595 8.4953 117.6404 59.6847 60.5478 173.1360 63 S 4.6717 8.5409 117.5227 57.5344 62.0948 172.5831 64 D 4.8606 7.8026 121.3222 53.8771 42.9667 177.0522 65 L 4.1004 8.5245 123.1654 56.7404 42.9935 176.1163 66 Y 5.8676 8.1764 112.7193 55.2501 42.0157 175.3982 67 A 4.7826 8.4372 121.5707 50.2527 21.8607 175.9372 68 W 5.3201 8.9698 123.2455 57.3383 30.4675 175.4282 69 I 5.0747 8.8785 115.7905 58.4031 40.8565 175.0558 70 G 4.1019 9.2433 109.9586 46.1878 0.0000 173.3827 71 L 4.8944 8.1696 121.3715 52.7754 45.1660 175.1763 72 R 5.0379 8.1484 120.8706 54.4690 33.1125 174.4122 73 V 3.7771 8.3082 120.5757 62.7051 31.1435 175.9092 74 E 4.0308 8.9199 129.2181 58.5480 30.0272 176.7666 75 N 4.3678 8.0344 115.3490 53.8184 38.9708 174.7010 76 K 4.2566 8.3802 120.0543 57.4002 33.2624 176.8734 77 E 4.2312 7.8692 117.4186 55.9456 29.9286 177.0030 78 K 4.1798 8.3881 118.9134 58.4736 32.4263 177.1022 79 Q 4.5432 7.5570 114.6866 55.2749 31.3417 173.9218 80 C 4.4971 8.3961 114.1223 59.4522 28.6230 173.9372 81 S 4.2838 8.6976 116.7202 57.6479 61.7538 173.8527 82 S 4.5676 8.5162 122.0040 58.4223 63.4821 173.3550 83 E 5.1367 7.3991 119.2338 54.8664 33.4566 174.9458 84 W 4.3036 9.4797 123.2990 55.8448 29.9772 177.4786 85 S 4.3579 8.8433 113.6362 60.5226 62.4107 174.5072 86 D 4.6988 8.3529 119.7263 53.0037 39.4810 176.9975 87 G 4.1003 8.2276 109.7707 45.7012 0.0000 174.7033 88 S 4.3750 8.5485 116.4758 58.8167 63.8596 174.5506 89 S 4.6882 8.7876 119.3491 58.8489 63.7312 174.4574 90 V 4.3441 8.4457 124.1123 62.2525 30.8827 174.7498 91 S 4.6444 8.9662 119.8936 59.8588 65.0814 173.9264 92 Y 4.5306 7.9695 123.3022 56.4908 39.2740 174.5049 93 E 4.5624 8.1783 123.0668 55.8568 32.4079 174.5197 94 N 4.8818 8.2669 112.6071 53.2703 40.9849 174.5679 95 V 3.1796 7.6585 117.3565 62.5704 32.0228 176.3616 96 V 3.8298 8.3939 126.9340 61.9942 30.1928 176.1010 97 E 4.0881 8.6126 128.4017 58.7229 29.6174 179.3291 98 R 3.5268 7.7525 113.2198 56.5263 30.1442 176.8876 99 T 4.0125 7.8834 108.5022 61.7170 69.7576 174.9516 100 V 3.5658 7.3221 123.3262 63.1566 31.0461 174.9708 101 K 4.7418 8.4502 128.2172 54.9183 32.1769 175.9805 102 K 4.4183 8.2564 122.0368 55.9964 34.5718 176.1531 103 C 4.5955 7.8228 119.0319 54.8445 38.1835 173.2872 104 F 5.0453 9.1113 123.6823 57.3835 40.0847 174.7532 105 A 5.3865 9.4585 123.9370 50.2291 23.1824 175.5066 106 L 4.9442 9.7391 120.7623 54.8133 43.5764 175.9455 107 E 4.8510 8.8287 120.4001 54.4194 32.2328 177.2747 108 K 2.0000 7.8771 124.8961 58.6480 31.0425 176.9956 109 D 4.2954 7.5162 117.7060 56.1862 41.0227 177.1268 110 L 3.5795 8.9275 121.3059 55.1657 39.3573 174.6685 111 G 3.6331 7.2533 103.5258 48.2724 0.0000 175.9945 112 F 4.2995 7.8101 114.6070 57.0438 36.9166 177.4351 113 V 4.5914 7.4480 114.3034 61.2244 34.9778 175.2092 114 L 4.6642 7.8767 122.2290 53.1981 43.0222 176.2699 115 W 5.3149 8.9301 124.0705 57.1889 30.4913 175.5856 116 I 4.5252 8.6460 119.6805 60.1866 41.4819 172.7426 117 N 4.6709 8.4380 126.5768 51.7295 38.9887 173.8826 118 L 4.8600 8.8711 121.4152 52.4983 46.7877 174.8683 119 Y 4.9136 8.3901 120.0773 57.2253 39.3676 177.0589 120 C 3.9092 8.7384 124.6232 59.8575 40.4705 175.5158 121 A 3.6981 6.5629 120.4652 53.7820 18.3662 177.5154 122 Q 4.3138 8.0542 115.7392 56.2049 30.2901 176.0893 123 K 5.0591 8.7779 123.3991 55.2781 32.8834 174.7805 124 N 5.2706 9.8626 124.9072 50.6250 43.4446 173.6988 125 P 4.7396 0.0000 0.0000 64.4501 34.3079 173.9044 126 F 5.2046 7.3504 113.3049 57.3095 42.0035 172.4880 127 V 5.1111 8.2013 118.2761 61.7368 34.6763 174.0581 128 C 5.6567 9.5663 124.9528 55.5918 43.9350 172.6405 129 K 5.4728 9.4350 121.9549 55.1762 35.9607 175.1309 130 S 5.1080 8.3297 116.9490 57.3532 66.3982 174.1958 131 P 4.8063 0.0000 0.0000 61.4544 32.3863 174.0062 132 P 4.2323 0.0000 0.0000 62.2008 31.6390 174.5875 133 P 4.3065 0.0000 0.0000 63.0632 31.4211 175.9771 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 D 8.36 4.66 0.00 2.66 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 2 C 8.30 4.86 0.00 3.14 3.13 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 3 P 0.00 4.36 0.00 2.21 2.12 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 4 S 8.52 4.14 0.00 3.96 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 5 G 9.08 4.40 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 0.00 6 W 8.16 4.43 0.00 3.40 3.40 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 7 S 10.36 4.92 0.00 4.00 4.15 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 8 S 8.88 5.51 0.00 3.98 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 9 Y 9.21 4.12 0.00 1.43 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 10 E 9.04 3.36 0.00 1.91 1.79 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 1.47 1.89 0.00 11 G 8.37 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 12 N 7.88 5.03 0.00 2.60 2.33 0.00 0.00 6.89 7.47 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 13 C 9.16 5.63 0.00 2.80 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 14 Y 10.11 5.50 0.00 3.16 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 15 K 8.69 4.29 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.63 7.81 16 F 8.32 5.08 0.00 2.85 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 17 F 7.86 3.78 0.00 1.51 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 0.00 0.00 0.00 18 Q 7.99 3.43 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.07 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 19 Q 7.67 3.91 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 20 K 8.47 4.49 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.62 7.81 21 M 9.42 5.06 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 22 N 8.42 5.97 0.00 3.05 2.98 0.00 0.00 6.36 8.88 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 23 W 7.84 2.87 0.00 2.14 2.72 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 0.00 0.00 0.00 0.00 24 A 7.89 3.68 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 25 D 8.34 4.13 0.00 2.98 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 26 A 7.56 3.16 0.30 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 27 E 7.18 3.42 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 28 R 7.61 3.68 0.00 1.85 1.86 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 29 F 7.66 3.92 0.00 3.05 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 30 C 7.76 4.59 0.00 3.09 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 31 S 7.52 5.18 0.00 3.90 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 E 7.73 4.55 0.00 1.80 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 0.00 2.11 2.30 0.00 33 Q 7.35 4.34 0.00 2.31 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 34 A 6.92 4.06 0.73 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 0.00 0.00 35 K 8.52 3.88 0.00 1.64 1.64 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.37 7.81 36 G 8.79 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 37 G 7.31 4.68 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 38 H 8.18 5.10 0.00 3.01 3.59 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.40 4.64 0.00 1.55 1.61 -0.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.72 4.06 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 0.96 0.00 0.00 1.34 0.00 0.00 41 S 8.86 4.96 0.00 4.00 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 42 I 8.26 4.60 2.42 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 1.19 0.00 0.00 43 K 9.31 4.16 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.48 7.81 44 I 6.57 2.25 1.58 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.67 0.00 0.00 45 Y 7.17 4.94 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 46 S 8.31 4.91 0.00 4.10 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 47 K 8.54 4.17 0.00 1.99 2.08 0.00 1.82 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.74 1.58 7.81 48 E 7.98 3.25 0.00 2.37 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 2.31 2.21 0.00 49 K 8.07 4.05 0.00 2.16 2.20 0.00 1.43 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.53 7.81 50 D 8.07 4.09 0.00 2.91 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 51 F 7.74 3.83 0.00 2.33 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 52 V 8.08 3.42 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 1.10 0.00 0.00 0.83 0.00 0.00 53 G 8.89 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 0.00 0.00 0.00 54 D 8.75 4.30 0.00 2.68 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 55 L 8.43 3.52 0.00 1.22 1.61 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.72 2.91 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 -0.22 0.00 0.00 0.84 0.00 0.00 57 T 7.41 3.85 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 1.20 0.00 0.00 58 K 7.79 4.00 0.00 1.54 1.74 0.00 1.56 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 59 N 7.24 4.26 0.00 2.30 2.81 0.00 0.00 7.08 7.34 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 60 I 5.95 3.42 0.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.48 0.00 0.00 61 Q 8.16 4.55 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.50 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 62 S 8.50 4.16 0.00 4.07 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 63 S 8.54 4.67 0.00 3.90 3.81 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 64 D 7.80 4.86 0.00 2.73 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 65 L 8.52 4.10 0.00 1.10 0.77 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.18 5.87 0.00 2.50 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 67 A 8.44 4.78 1.26 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 0.00 0.00 68 W 8.97 5.32 0.00 3.37 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 69 I 8.88 5.07 2.03 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 1.05 0.00 0.00 70 G 9.24 4.10 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 0.00 0.00 0.00 71 L 8.17 4.89 0.00 1.44 1.11 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.15 5.04 0.00 1.21 0.66 0.00 2.22 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 73 V 8.31 3.78 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 0.72 0.00 0.00 1.07 0.00 0.00 74 E 8.92 4.03 0.00 1.93 1.93 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 2.26 2.25 0.00 75 N 8.03 4.37 0.00 2.71 2.73 0.00 0.00 6.86 7.61 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 76 K 8.38 4.26 0.00 1.70 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.62 7.81 77 E 7.87 4.23 0.00 2.07 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 2.30 2.39 0.00 78 K 8.39 4.18 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.41 7.81 79 Q 7.56 4.54 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.13 0.00 0.00 0.00 0.00 0.00 2.09 2.34 0.00 80 C 8.40 4.50 0.00 2.94 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 81 S 8.70 4.28 0.00 3.65 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 82 S 8.52 4.57 0.00 4.03 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 83 E 7.40 5.14 0.00 1.94 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 2.34 0.00 84 W 9.48 4.30 0.00 3.58 3.23 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 85 S 8.84 4.36 0.00 4.04 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 86 D 8.35 4.70 0.00 2.81 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 87 G 8.23 4.10 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 0.00 0.00 0.00 88 S 8.55 4.37 0.00 3.89 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 89 S 8.79 4.69 0.00 3.84 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 90 V 8.45 4.34 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 0.71 0.00 0.00 0.43 0.00 0.00 91 S 8.97 4.64 0.00 4.09 3.99 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 92 Y 7.97 4.53 0.00 2.86 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 93 E 8.18 4.56 0.00 1.96 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 2.16 2.40 0.00 94 N 8.27 4.88 0.00 2.51 2.73 0.00 0.00 6.83 7.68 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 95 V 7.66 3.18 2.14 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 0.67 0.00 0.00 0.86 0.00 0.00 96 V 8.39 3.83 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 0.86 0.00 0.00 0.90 0.00 0.00 97 E 8.61 4.09 0.00 2.09 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 0.00 2.42 2.36 0.00 98 R 7.75 3.53 0.00 1.33 1.85 0.00 2.88 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 99 T 7.88 4.01 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 1.15 0.00 0.00 100 V 7.32 3.57 2.29 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 1.03 0.00 0.00 0.95 0.00 0.00 101 K 8.45 4.74 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.65 7.81 102 K 8.26 4.42 0.00 1.49 1.62 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 103 C 7.82 4.60 0.00 2.53 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 0.00 0.00 0.00 104 F 9.11 5.05 0.00 3.12 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 0.00 105 A 9.46 5.39 1.10 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 0.00 0.00 106 L 9.74 4.94 0.00 1.90 1.94 1.17 1.22 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 0.00 107 E 8.83 4.85 0.00 1.89 1.64 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 2.37 2.53 0.00 108 K 7.88 2.00 0.00 1.33 1.31 0.00 1.88 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.14 7.81 109 D 7.52 4.30 0.00 2.59 2.50 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 0.00 110 L 8.93 3.58 0.00 1.75 1.77 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.25 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 0.00 112 F 7.81 4.30 0.00 3.16 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 0.00 113 V 7.45 4.59 2.14 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 0.80 0.00 0.00 0.99 0.00 0.00 114 L 7.88 4.66 0.00 1.68 1.82 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 W 8.93 5.31 0.00 3.39 3.36 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 0.00 116 I 8.65 4.53 2.30 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 1.13 0.00 0.00 117 N 8.44 4.67 0.00 2.32 1.42 0.00 0.00 5.91 7.79 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 0.00 118 L 8.87 4.86 0.00 1.76 1.57 -0.04 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.39 4.91 0.00 2.89 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 0.00 120 C 8.74 3.91 0.00 2.72 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 0.00 121 A 6.56 3.70 0.55 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 0.00 122 Q 8.05 4.31 0.00 2.67 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 123 K 8.78 5.06 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.70 7.81 124 N 9.86 5.27 0.00 1.65 2.49 0.00 0.00 6.52 8.01 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 0.00 125 P 0.00 4.74 0.00 2.15 2.37 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 126 F 7.35 5.20 0.00 3.21 3.40 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 0.00 127 V 8.20 5.11 2.32 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 1.35 0.00 0.00 1.13 0.00 0.00 128 C 9.57 5.66 0.00 3.15 3.43 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 0.00 129 K 9.44 5.47 0.00 1.97 1.72 0.00 2.04 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 0.70 7.81 130 S 8.33 5.11 0.00 3.70 3.81 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 0.00 131 P 0.00 4.81 0.00 2.04 2.07 0.00 3.90 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 1.91 1.92 0.00 132 P 0.00 4.23 0.00 2.15 2.06 0.00 3.70 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 1.94 1.92 0.00 133 P 0.00 4.31 0.00 2.10 1.90 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00