NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1822 8.1727 122.0503 56.2936 34.1861 174.0350 2 V 4.5334 8.1237 126.2164 60.7720 32.3974 174.5840 3 F 4.4488 10.0208 129.1507 57.4565 40.1894 174.9978 4 E 4.3369 9.1700 121.2780 55.7485 30.9151 177.2835 5 R 3.3290 8.9772 122.5441 60.4089 30.0197 179.6714 6 C 4.3591 8.0615 115.2129 59.5710 38.7366 175.5977 7 E 3.9004 8.1136 120.8636 59.1379 29.2738 178.4554 8 L 3.5054 8.1921 120.3535 57.7801 41.9841 178.6280 9 A 3.9141 7.7810 120.7135 55.4259 18.3675 179.8519 10 R 3.8494 7.9691 116.4033 59.5669 30.1292 179.4317 11 T 3.8508 7.8803 115.4978 66.7158 68.4907 176.5775 12 L 3.8412 8.1366 121.1902 57.4989 41.5865 179.4337 13 K 3.9133 8.3547 122.1716 60.4120 31.9594 179.7729 14 R 4.0443 7.8517 119.1120 60.8844 29.3212 179.5191 15 L 4.5841 7.4843 115.6166 54.4279 41.7781 176.9774 16 G 3.8547 7.8048 106.9147 46.9165 0.0000 175.1769 17 M 3.8779 7.8600 121.5245 56.5788 32.3556 175.7946 18 D 4.4270 8.0099 117.8369 56.1230 41.1603 175.9230 19 G 3.9502 9.3716 115.9340 45.2341 0.0000 171.4450 20 Y 4.1037 8.1697 121.6751 58.8737 38.9099 176.3784 21 R 3.6543 8.9642 126.8597 57.2875 27.8514 177.1284 22 G 3.7980 8.0481 102.5689 45.8972 0.0000 173.9929 23 I 4.1091 7.5849 121.8155 58.8862 38.1423 175.9595 24 S 4.7576 8.3162 120.2781 57.7505 63.8382 174.9479 25 L 4.2332 9.2102 123.1985 58.5303 41.6329 179.1949 26 A 4.1284 8.1722 120.1639 55.2702 18.2540 179.2822 27 N 4.4275 8.2176 114.9457 56.3861 38.6180 177.7182 28 W 4.2314 7.9063 119.8713 59.9061 29.1788 178.3907 29 M 4.1672 8.5647 119.0610 58.4787 31.4391 177.8117 30 C 3.1707 8.2769 118.8916 59.2550 43.8928 175.1857 31 L 3.9602 8.1239 121.5242 58.4084 41.7218 178.7219 32 A 4.0912 8.3493 120.5592 55.0044 18.2830 179.4209 33 K 2.8851 8.0425 117.9297 59.4025 32.0478 179.1301 34 W 4.3876 7.6572 117.3080 59.1210 29.0771 178.4543 35 E 4.3184 8.3901 118.8742 58.7263 29.1818 177.8023 36 S 4.5149 7.6965 108.1593 56.5819 64.5925 174.1209 37 G 3.4447 8.1013 108.8578 46.8324 0.0000 173.2492 38 Y 3.6313 7.6611 113.7163 58.7123 35.3001 168.6662 39 N 5.2986 7.7599 119.2966 51.9473 40.0685 175.5070 40 T 4.0811 9.0330 119.5430 64.5487 69.2145 176.9868 41 R 4.2473 8.0867 119.3133 57.0350 30.2008 181.9145 42 A 4.3538 7.6279 119.4951 53.7073 19.2710 176.8203 43 T 5.0047 8.3639 110.8548 60.0145 72.4109 173.0294 44 N 4.8721 8.8493 122.1070 52.2179 41.9800 172.3200 45 Y 4.5945 8.7153 128.1458 57.2618 40.7461 173.9060 46 N 4.6316 8.6092 124.9992 51.2347 38.4706 175.2960 47 A 3.7413 8.3801 127.5632 54.9150 18.9443 179.1013 48 G 3.8960 8.1920 104.0798 48.4341 0.0000 173.8822 49 D 4.7491 7.5718 115.1857 51.7105 40.0496 175.6722 50 R 3.8537 8.1100 116.4247 56.8289 28.2779 175.8946 51 S 4.9353 7.6848 111.6020 57.1067 66.3597 172.7063 52 T 5.0429 8.8665 115.9621 61.9314 72.7911 172.8042 53 D 5.4142 8.9335 125.1142 53.2286 43.1480 175.0296 54 Y 5.0400 9.1372 121.3204 57.4989 41.4072 177.2738 55 G 4.2820 9.3521 112.4946 45.5384 0.0000 173.4234 56 I 3.6417 8.3316 117.4802 63.4575 37.9693 177.5525 57 F 4.6877 8.0026 115.7990 56.5100 39.9799 175.1215 58 Q 3.6445 7.8028 119.0614 57.1089 26.4962 174.0671 59 I 4.4258 8.1434 119.0307 61.1745 39.2287 176.8072 60 N 5.4201 9.2065 125.9617 53.2253 40.0062 175.5109 61 S 4.7414 9.1203 120.0525 59.6116 62.7222 175.1847 62 R 3.7825 8.9606 122.7593 58.5423 30.4750 177.5546 63 Y 4.4487 7.6763 114.8939 57.6895 39.9952 176.6045 64 W 5.2426 8.2669 117.8765 56.8221 31.2497 173.5580 65 C 5.2838 8.1120 113.3443 53.8274 45.3032 172.1080 66 N 5.2123 9.4674 119.7313 52.1503 40.2781 174.8418 67 D 4.7553 8.6995 123.3695 52.2132 40.7122 177.5982 68 G 4.1667 8.3380 112.3218 46.2430 0.0000 174.9935 69 K 4.2680 8.0960 115.9326 57.1272 33.2562 176.6059 70 T 4.4666 7.4814 117.0390 61.8437 67.6866 172.9205 71 P 4.2698 0.0000 0.0000 63.8409 31.9275 176.5245 72 G 4.0518 8.6730 108.8626 46.4406 0.0000 173.2611 73 A 4.3954 7.0795 119.7868 51.3089 19.5376 177.9847 74 V 4.3381 9.2829 111.8885 59.5063 35.9823 175.8362 75 N 4.9047 8.1345 119.5840 51.7271 37.7057 174.5385 76 A 3.8913 9.0196 125.2187 54.5820 19.1353 179.3687 77 A 4.2253 7.8915 116.4208 53.2405 19.3849 176.8771 78 H 4.2079 7.8245 112.2711 56.5300 26.4124 174.1508 79 L 4.7795 8.7136 119.4116 52.8680 46.6241 176.4733 80 S 4.6495 8.4142 115.8568 58.1164 63.2090 176.0588 81 C 4.1572 8.6065 124.2834 59.6769 34.8871 176.3257 82 S 3.8415 7.8034 114.5051 61.2794 61.6474 175.9612 83 A 4.1413 7.7313 122.3591 54.2746 18.2116 177.9058 84 L 4.4440 7.9476 116.6980 55.0666 41.8461 177.6405 85 L 5.3229 7.6003 116.5433 53.6415 42.5346 176.7289 86 Q 4.3660 7.7663 117.8090 55.3338 29.5906 175.9392 87 D 4.4115 8.5481 119.7303 57.2471 41.0977 176.9458 88 N 4.5330 8.0687 118.1989 53.3868 39.2680 174.5681 89 I 4.2949 8.4379 118.8346 61.0251 38.0733 176.9756 90 A 3.9605 8.2572 125.0919 55.9591 18.1449 180.2070 91 D 4.2793 8.0495 116.4457 57.4690 41.0406 178.6721 92 A 4.1085 7.9836 120.8455 55.1585 18.4265 179.7471 93 V 3.3994 8.3297 117.0571 65.9466 31.6361 178.0802 94 A 3.8354 8.0031 120.5880 55.1293 18.1590 179.2665 95 C 3.9713 8.1981 116.8485 62.6927 31.8106 175.5888 96 A 4.0274 8.3140 122.7032 55.1249 17.5521 179.7590 97 K 3.6803 7.5616 116.1955 59.3725 32.2061 179.1772 98 R 4.0261 7.6691 118.5166 59.3123 30.0430 178.5495 99 V 2.0651 7.2247 117.8831 65.7059 31.0293 177.9997 100 V 3.9055 7.5707 109.5393 62.7290 31.3488 178.0971 101 R 4.1927 7.5596 117.4425 57.3408 30.4585 176.5509 102 D 4.7373 7.3496 119.0702 52.6651 41.7309 175.4835 103 P 4.2890 0.0000 0.0000 66.0851 31.3834 177.9038 104 Q 4.0072 8.1605 117.4484 56.4504 29.9339 177.1681 105 G 3.7291 8.0139 107.3879 46.6779 0.0000 175.5135 106 I 3.6464 7.8251 118.7866 63.7207 37.9833 178.2393 107 R 4.2632 7.3502 117.4529 57.8920 29.9482 177.5431 108 A 4.1052 7.6015 120.4084 53.4555 18.5545 177.6095 109 W 4.7764 8.1439 116.8278 55.3160 30.0983 177.8673 110 V 3.8118 8.6450 124.3584 64.5801 30.9478 178.0338 111 A 3.9983 8.3339 121.2800 54.8359 18.0696 179.1261 112 W 4.0380 8.2581 126.4947 60.8541 30.6093 178.4825 113 R 3.6799 8.1791 116.0783 59.1526 29.6228 178.4573 114 N 4.3425 8.1591 115.4939 55.8672 38.7438 176.9375 115 R 4.0564 7.9093 116.4209 56.1083 30.9714 176.3322 116 C 4.5646 7.6575 115.0653 57.7062 42.7893 174.4450 117 Q 3.2646 6.5271 119.2352 57.1281 28.7579 175.2630 118 N 4.1889 8.6396 120.7435 54.4622 36.1890 173.8492 119 R 4.5304 7.2598 114.4534 54.0305 33.4014 175.3840 120 D 4.5789 8.4997 118.8824 54.0934 40.7635 175.8737 121 V 4.6525 8.2376 119.1748 61.4047 32.3813 178.2820 122 R 4.0790 8.0881 122.6986 59.1573 29.8430 178.5621 123 Q 3.9271 8.1753 117.2619 59.8919 27.9724 178.7076 124 Y 4.3112 7.6402 116.5534 59.6734 38.3209 177.0824 125 V 4.3929 7.8587 111.3180 60.4739 33.0669 175.4876 126 Q 4.1702 7.5537 118.6126 57.4812 28.5828 177.0853 127 G 3.9166 8.8632 109.2873 46.1530 0.0000 174.5325 128 C 4.4335 8.0908 115.8420 56.7338 40.6294 174.1150 129 G 3.8268 8.1433 107.2437 46.6567 0.0000 174.0869 130 V 3.9895 7.8707 118.0546 61.0639 31.9259 175.9409 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 4.18 0.00 1.91 1.70 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.07 7.81 2 V 8.12 4.53 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 10.02 4.45 0.00 2.86 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 9.17 4.34 0.00 1.91 1.87 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 2.42 2.39 0.00 5 R 8.98 3.33 0.00 1.94 1.95 0.00 3.41 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 6 C 8.06 4.36 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 7 E 8.11 3.90 0.00 2.06 2.21 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 2.60 2.41 0.00 8 L 8.19 3.51 0.00 1.27 1.33 -0.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.78 3.91 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 10 R 7.97 3.85 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.88 3.85 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 1.19 0.00 0.00 12 L 8.14 3.84 0.00 1.71 1.59 0.94 0.42 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 13 K 8.35 3.91 0.00 1.89 1.93 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 7.85 4.04 0.00 1.96 1.84 0.00 3.31 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 15 L 7.48 4.58 0.00 1.63 1.59 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.80 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 17 M 7.86 3.88 0.00 1.29 1.97 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 18 D 8.01 4.43 0.00 2.68 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 9.37 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 20 Y 8.17 4.10 0.00 3.36 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 21 R 8.96 3.65 0.00 1.94 1.87 0.00 3.23 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.43 0.00 22 G 8.05 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.58 4.11 1.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.65 -0.28 0.00 0.00 24 S 8.32 4.76 0.00 4.06 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 25 L 9.21 4.23 0.00 2.01 1.81 0.99 1.37 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 26 A 8.17 4.13 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.43 0.00 2.81 2.68 0.00 0.00 6.95 7.57 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 28 W 7.91 4.23 0.00 3.55 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 29 M 8.56 4.17 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 30 C 8.28 3.17 0.00 2.65 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 8.12 3.96 0.00 1.81 1.82 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.35 4.09 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 33 K 8.04 2.89 0.00 1.64 1.24 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.22 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.49 1.25 7.81 34 W 7.66 4.39 0.00 3.34 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 35 E 8.39 4.32 0.00 2.02 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 2.57 2.42 0.00 36 S 7.70 4.51 0.00 4.05 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 G 8.10 3.44 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 38 Y 7.66 3.63 0.00 3.21 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 39 N 7.76 5.30 0.00 2.75 2.81 0.00 0.00 7.01 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 40 T 9.03 4.08 4.42 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 1.44 0.00 0.00 41 R 8.09 4.25 0.00 1.87 1.87 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 42 A 7.63 4.35 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.36 5.00 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 1.32 0.00 0.00 44 N 8.85 4.87 0.00 2.84 2.79 0.00 0.00 6.75 6.94 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 45 Y 8.72 4.59 0.00 3.08 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 46 N 8.61 4.63 0.00 2.64 2.62 0.00 0.00 6.52 7.33 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 47 A 8.38 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 48 G 8.19 3.90 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 0.00 0.00 0.00 49 D 7.57 4.75 0.00 2.71 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 50 R 8.11 3.85 0.00 2.03 2.18 0.00 3.12 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 51 S 7.68 4.94 0.00 3.91 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 52 T 8.87 5.04 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 0.59 0.00 0.00 53 D 8.93 5.41 0.00 2.71 2.75 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 54 Y 9.14 5.04 0.00 2.95 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 55 G 9.35 4.28 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 0.00 56 I 8.33 3.64 1.69 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 0.87 0.69 0.12 0.00 0.00 57 F 8.00 4.69 0.00 3.21 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 58 Q 7.80 3.64 0.00 2.57 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 59 I 8.14 4.43 2.17 0.00 0.00 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 1.53 1.17 1.17 0.00 0.00 60 N 9.21 5.42 0.00 3.14 3.11 0.00 0.00 6.98 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 9.12 4.74 0.00 4.07 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 62 R 8.96 3.78 0.00 1.53 1.21 0.00 2.65 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 63 Y 7.68 4.45 0.00 1.43 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 0.00 0.00 0.00 64 W 8.27 5.24 0.00 3.45 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 65 C 8.11 5.28 0.00 3.05 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 9.47 5.21 0.00 2.81 2.70 0.00 0.00 7.01 9.14 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 67 D 8.70 4.76 0.00 2.88 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 68 G 8.34 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 0.00 0.00 0.00 0.00 69 K 8.10 4.27 0.00 1.92 1.96 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 70 T 7.48 4.47 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 1.15 0.00 0.00 71 P 0.00 4.27 0.00 2.27 2.17 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 72 G 8.67 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 73 A 7.08 4.40 1.27 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 0.00 0.00 74 V 9.28 4.34 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 0.60 0.00 0.00 0.77 0.00 0.00 75 N 8.13 4.90 0.00 2.76 2.59 0.00 0.00 6.79 8.26 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 76 A 9.02 3.89 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 A 7.89 4.23 1.62 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 0.00 0.00 78 H 7.82 4.21 0.00 3.34 3.39 0.00 5.82 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 79 L 8.71 4.78 0.00 1.67 1.51 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.41 4.65 0.00 3.83 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 81 C 8.61 4.16 0.00 2.22 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 82 S 7.80 3.84 0.00 3.88 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 83 A 7.73 4.14 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 84 L 7.95 4.44 0.00 1.90 1.83 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.60 5.32 0.00 1.69 1.72 1.12 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.77 4.37 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 87 D 8.55 4.41 0.00 2.63 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 88 N 8.07 4.53 0.00 2.69 2.75 0.00 0.00 6.93 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 8.44 4.29 1.81 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.99 1.00 0.00 0.00 90 A 8.26 3.96 1.36 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 0.00 0.00 91 D 8.05 4.28 0.00 2.72 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 92 A 7.98 4.11 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 93 V 8.33 3.40 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 0.69 0.00 0.00 0.95 0.00 0.00 94 A 8.00 3.84 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.20 3.97 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 96 A 8.31 4.03 0.77 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 0.00 0.00 97 K 7.56 3.68 0.00 1.59 1.43 0.00 1.29 0.00 0.00 0.93 0.00 0.00 2.31 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.78 7.81 98 R 7.67 4.03 0.00 1.94 2.04 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 99 V 7.22 2.07 1.78 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 -0.14 0.00 0.00 -0.54 0.00 0.00 100 V 7.57 3.91 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 1.20 0.00 0.00 1.40 0.00 0.00 101 R 7.56 4.19 0.00 2.01 2.05 0.00 3.23 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 102 D 7.35 4.74 0.00 3.04 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 0.00 103 P 0.00 4.29 0.00 2.16 2.19 0.00 3.78 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 1.98 2.00 0.00 104 Q 8.16 4.01 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.01 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 0.00 0.00 0.00 106 I 7.83 3.65 1.05 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 -0.30 -0.18 -0.55 0.00 0.00 107 R 7.35 4.26 0.00 2.08 2.03 0.00 3.24 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 108 A 7.60 4.11 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 0.00 109 W 8.14 4.78 0.00 3.54 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 0.00 110 V 8.65 3.81 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 0.88 0.00 0.00 0.97 0.00 0.00 111 A 8.33 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 8.26 4.04 0.00 3.43 3.50 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 0.00 113 R 8.18 3.68 0.00 2.04 1.98 0.00 3.33 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 114 N 8.16 4.34 0.00 2.66 2.71 0.00 0.00 6.96 7.31 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 0.00 115 R 7.91 4.06 0.00 1.35 0.80 0.00 2.21 0.00 0.00 2.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.24 0.00 116 C 7.66 4.56 0.00 1.60 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 0.00 117 Q 6.53 3.26 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 118 N 8.64 4.19 0.00 2.80 2.82 0.00 0.00 6.83 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 7.26 4.53 0.00 1.85 1.80 0.00 3.08 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 120 D 8.50 4.58 0.00 2.63 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 0.00 121 V 8.24 4.65 2.37 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 0.95 0.00 0.00 1.06 0.00 0.00 122 R 8.09 4.08 0.00 1.83 2.02 0.00 3.17 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 123 Q 8.18 3.93 0.00 1.85 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.02 0.00 124 Y 7.64 4.31 0.00 3.13 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 0.00 125 V 7.86 4.39 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 1.05 0.00 0.00 1.06 0.00 0.00 126 Q 7.55 4.17 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 127 G 8.86 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 0.00 128 C 8.09 4.43 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 0.00 129 G 8.14 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 0.00 130 V 7.87 3.99 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 0.73 0.00 0.00 0.96 0.00 0.00