NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3124 0.0000 0.0000 61.8794 32.5804 175.8203 3 K 3.8043 8.5690 120.6728 55.5867 32.5192 175.1718 4 K 3.9753 9.2283 127.5718 57.2069 33.7659 175.2363 5 V 5.0163 8.2830 124.7544 61.2423 34.3794 174.3984 6 L 4.9570 8.8348 126.0687 53.0836 46.4611 175.2515 7 T 5.6875 7.9105 111.0233 59.3698 70.9340 173.2279 8 G 4.2236 8.3762 111.9354 45.1479 0.0000 170.6205 9 V 4.8324 8.2142 112.5204 59.3599 34.2757 176.1952 10 V 4.2363 8.6212 125.3798 63.2390 31.9107 176.4643 11 V 4.3822 8.8195 121.2299 61.3286 32.8835 176.0971 12 S 4.7161 7.6333 116.0669 56.9369 65.9081 173.6974 13 D 4.8921 8.7215 123.5496 52.9225 40.3758 176.7282 14 K 4.2727 7.8107 115.6058 57.9211 31.6059 176.0308 15 M 4.6987 7.5605 118.8871 53.5711 33.4868 174.5755 16 Q 4.4056 8.3818 118.0474 55.5223 29.8036 176.2206 17 K 4.6629 8.7981 121.1408 56.7850 29.6926 174.9826 18 T 5.2901 7.3144 112.7711 62.5176 72.9810 173.8298 19 V 4.7513 8.4319 115.1873 60.3588 36.9092 174.1621 20 T 4.7348 8.7028 121.0459 62.5020 70.3706 173.9278 21 V 4.7032 8.6965 127.5649 60.7561 33.8481 174.2999 22 L 4.3816 8.8130 132.2805 54.8481 43.2940 175.5845 23 V 4.7149 8.7919 126.3377 61.2527 34.1535 174.8480 24 E 5.0927 8.6428 127.2150 55.4856 31.9573 175.0866 25 R 4.5918 8.0362 114.3759 55.9324 32.8609 173.7384 26 Q 5.4066 8.3937 119.1059 54.3668 32.5879 174.3446 27 F 4.7378 7.8565 112.7607 55.8623 41.6533 171.2918 28 P 4.7854 0.0000 0.0000 62.0657 32.1616 175.6848 29 H 4.1716 8.9091 125.2613 55.8126 29.8605 174.0567 30 P 4.2306 0.0000 0.0000 65.0937 31.0573 176.5053 31 L 4.4441 7.6528 117.6733 54.9566 44.0208 176.1480 32 Y 4.8335 8.2392 113.7747 56.9543 38.0156 175.1517 33 G 3.9815 6.8474 109.0369 44.8650 0.0000 173.4543 34 K 4.9173 6.9913 117.5064 50.4852 33.2933 175.5327 35 V 4.0512 8.4015 127.4385 63.1113 32.6542 175.0219 36 I 4.5998 8.3210 119.3599 59.1947 40.9404 174.2747 37 K 5.0086 8.4834 123.6015 55.5678 34.1295 175.5903 38 R 4.8864 8.5805 121.1866 55.3520 33.9296 173.7249 39 S 5.2126 8.5778 117.6637 56.7778 66.7466 172.8572 40 K 4.5178 8.8442 120.3757 55.1693 35.9002 174.4275 41 K 4.8712 8.4139 126.2188 55.1798 33.6215 175.2368 42 Y 4.6803 8.5433 122.4072 56.0931 40.7990 174.8204 43 L 4.9659 8.6133 122.9779 53.7755 43.4797 175.8951 44 A 4.8370 9.0872 126.6550 50.8685 21.7985 175.1535 45 H 4.6461 8.7522 119.7338 55.2496 31.3667 173.5807 46 D 5.0704 8.4958 128.1145 51.5930 40.3132 174.8292 47 P 4.3210 0.0000 0.0000 64.1796 31.6937 177.6254 48 E 4.5660 7.8987 116.1617 55.1134 30.3440 175.3816 49 E 3.9841 8.1669 117.0291 57.4954 27.1301 175.2354 50 K 4.3225 8.5458 113.9225 56.5961 33.4186 175.1651 51 Y 4.3841 8.5391 118.5602 56.2733 39.1234 175.7458 52 K 4.4412 7.9550 124.6734 54.6929 34.7857 175.4676 53 L 4.1441 8.1369 121.1739 56.2978 42.5094 176.5287 54 G 4.1164 8.8193 113.9723 45.3878 0.0000 173.2586 55 D 4.8805 7.8352 119.3553 54.2746 42.3696 175.8003 56 V 4.5589 8.9135 123.4434 61.8403 33.0215 174.9938 57 V 5.0650 8.6525 121.1713 59.5585 36.1309 174.1294 58 E 5.0493 8.4941 120.0750 55.0843 32.1030 176.0912 59 I 4.7900 9.2170 125.9904 59.8008 40.1917 174.4958 60 I 5.0395 8.4329 124.0494 59.0564 41.0161 173.7163 61 E 2.7463 9.2282 130.2969 56.4422 29.7376 176.1492 62 S 4.7480 7.8043 121.9691 56.2009 67.1947 173.7061 63 R 3.9879 8.3588 120.4859 55.2566 30.4026 174.1921 64 P 4.3323 0.0000 0.0000 63.6725 31.6222 176.0893 65 I 4.2200 7.9351 122.7890 60.9331 38.7331 175.4368 66 S 4.5699 7.4579 113.8726 57.4404 64.2660 176.0562 67 K 4.0800 8.5547 121.7858 57.5723 32.3567 176.3199 68 R 4.0171 8.8020 125.2700 57.6987 28.9580 177.4754 69 K 4.4853 7.2687 120.5186 56.5348 31.4100 176.9460 70 R 4.6998 8.6553 122.6254 55.3959 32.6637 174.9189 71 F 5.2596 8.2226 116.1874 56.2286 43.9153 173.5408 72 R 5.0654 8.4792 119.1543 54.1798 34.3113 175.0655 73 V 3.5839 7.7212 120.7192 62.7363 31.2233 175.2646 74 L 4.3272 9.2687 133.5306 56.5594 41.4502 176.5235 75 R 4.8786 7.5057 112.6172 54.7214 33.5695 172.8832 76 L 4.2012 8.5728 122.2798 55.6440 42.6822 174.7173 77 V 3.9250 9.0572 127.4125 63.0014 30.8357 175.7018 78 E 4.8843 8.4900 114.9688 54.4532 34.0605 175.6367 79 S 4.8572 8.7738 114.1186 57.8172 65.0306 174.1668 80 G 4.0938 9.0476 115.8861 46.3929 0.0000 173.9883 81 R 4.8183 7.9002 115.0862 54.8477 29.8838 178.3887 82 M 4.2487 7.8126 118.1421 57.4184 32.0770 177.8772 83 D 4.3964 7.9615 119.9556 56.2319 39.9271 178.3927 84 L 4.0379 8.0734 120.5105 57.4835 41.7409 179.3000 85 V 3.7168 7.8966 117.6730 66.0332 31.2407 177.9292 86 E 3.9627 7.9441 118.4391 59.4155 29.0928 179.1344 87 K 3.9523 7.6987 118.3361 59.9674 32.0471 178.3480 88 Y 4.2491 8.1031 119.6198 60.1200 38.8152 177.0539 89 L 3.5591 8.2604 119.6094 58.1864 41.9801 179.7002 90 I 3.5556 8.0318 119.5020 64.4623 36.8447 178.3818 91 R 3.6539 7.2013 117.7719 59.5188 29.9482 178.3809 92 R 3.0256 7.8192 118.5394 58.8250 29.4447 178.1115 93 Q 4.0000 8.2672 119.7225 58.5727 29.1592 177.1393 94 N 4.1890 7.7292 116.6652 54.8983 38.4006 176.5794 95 Y 4.3945 7.1512 118.0716 61.3771 37.8371 178.0869 96 E 4.0960 7.5390 117.6631 59.5120 29.6597 178.9720 97 S 4.5546 7.7963 112.0350 58.9186 63.2227 174.5066 98 L 4.6830 8.2193 121.4198 54.3551 42.1169 176.6821 99 S 4.8130 7.6542 114.8191 57.3053 65.5655 174.2542 100 K 4.1363 8.2627 119.1662 57.4420 32.8959 175.8633 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 2 P 0.00 4.31 0.00 2.19 2.12 0.00 3.74 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 1.88 1.99 0.00 3 K 8.57 3.80 0.00 1.73 1.91 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 K 9.23 3.98 0.00 1.93 1.91 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.49 7.81 5 V 8.28 5.02 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 0.94 0.00 0.00 0.98 0.00 0.00 6 L 8.83 4.96 0.00 1.19 1.25 0.18 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.91 5.69 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 1.20 0.00 0.00 8 G 8.38 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 0.00 0.00 0.00 0.00 9 V 8.21 4.83 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 0.69 0.00 0.00 0.94 0.00 0.00 10 V 8.62 4.24 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 1.02 0.00 0.00 0.94 0.00 0.00 11 V 8.82 4.38 1.80 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 0.41 0.00 0.00 0.54 0.00 0.00 12 S 7.63 4.72 0.00 3.89 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 13 D 8.72 4.89 0.00 2.83 2.82 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 14 K 7.81 4.27 0.00 1.91 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.56 4.70 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 16 Q 8.38 4.41 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.32 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 17 K 8.80 4.66 0.00 2.00 1.92 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 18 T 7.31 5.29 4.27 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 1.27 0.00 0.00 19 V 8.43 4.75 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 0.71 0.00 0.00 0.88 0.00 0.00 20 T 8.70 4.73 4.18 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 1.12 0.00 0.00 21 V 8.70 4.70 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 0.88 0.00 0.00 0.86 0.00 0.00 22 L 8.81 4.38 0.00 1.48 1.37 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.79 4.71 2.25 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 0.96 0.00 0.00 0.97 0.00 0.00 24 E 8.64 5.09 0.00 1.91 1.90 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 2.28 2.31 0.00 25 R 8.04 4.59 0.00 1.85 2.02 0.00 2.83 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 26 Q 8.39 5.41 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 27 F 7.86 4.74 0.00 3.15 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 28 P 0.00 4.79 0.00 2.04 2.08 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 29 H 8.91 4.17 0.00 3.19 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.23 0.00 2.13 2.18 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 31 L 7.65 4.44 0.00 1.29 1.19 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.24 4.83 0.00 2.91 2.80 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 33 G 6.85 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 0.00 0.00 0.00 0.00 34 K 6.99 4.92 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 35 V 8.40 4.05 2.04 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 0.80 0.00 0.00 0.92 0.00 0.00 36 I 8.32 4.60 1.67 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.81 0.00 0.00 37 K 8.48 5.01 0.00 1.65 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 38 R 8.58 4.89 0.00 2.17 1.89 0.00 3.32 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 39 S 8.58 5.21 0.00 3.89 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 40 K 8.84 4.52 0.00 1.76 1.58 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.14 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.47 1.12 7.81 41 K 8.41 4.87 0.00 1.58 1.63 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.39 7.81 42 Y 8.54 4.68 0.00 2.73 2.65 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 43 L 8.61 4.97 0.00 1.67 1.65 0.95 0.87 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 44 A 9.09 4.84 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 45 H 8.75 4.65 0.00 3.30 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.50 5.07 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.25 2.23 0.00 3.76 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 48 E 7.90 4.57 0.00 2.00 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 0.00 2.24 2.27 0.00 49 E 8.17 3.98 0.00 2.07 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 2.25 2.23 0.00 50 K 8.55 4.32 0.00 1.65 1.83 0.00 1.39 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.11 7.81 51 Y 8.54 4.38 0.00 3.08 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 52 K 7.96 4.44 0.00 1.79 1.96 0.00 1.28 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.71 1.37 7.81 53 L 8.14 4.14 0.00 1.65 1.64 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.82 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 55 D 7.84 4.88 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 56 V 8.91 4.56 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 1.04 0.00 0.00 0.94 0.00 0.00 57 V 8.65 5.07 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 0.83 0.00 0.00 0.82 0.00 0.00 58 E 8.49 5.05 0.00 1.82 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 2.19 2.24 0.00 59 I 9.22 4.79 1.57 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.96 0.00 0.00 60 I 8.43 5.04 1.90 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 1.11 1.50 0.97 0.00 0.00 61 E 9.23 2.75 0.00 1.95 1.80 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 2.13 1.96 0.00 62 S 7.80 4.75 0.00 3.64 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 63 R 8.36 3.99 0.00 1.72 1.77 0.00 3.38 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 64 P 0.00 4.33 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 65 I 7.94 4.22 1.85 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 1.24 0.67 0.77 0.00 0.00 66 S 7.46 4.57 0.00 4.00 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 0.00 67 K 8.55 4.08 0.00 1.74 1.79 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 8.80 4.02 0.00 2.03 2.07 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 69 K 7.27 4.49 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.69 1.42 7.81 70 R 8.66 4.70 0.00 1.85 1.62 0.00 3.16 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 71 F 8.22 5.26 0.00 2.91 2.82 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 72 R 8.48 5.07 0.00 1.72 1.79 0.00 3.15 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 73 V 7.72 3.58 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 -0.35 0.00 0.00 0.62 0.00 0.00 74 L 9.27 4.33 0.00 1.70 1.64 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.51 4.88 0.00 1.93 2.00 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 76 L 8.57 4.20 0.00 1.90 1.67 1.13 0.93 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 77 V 9.06 3.93 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 0.83 0.00 0.00 0.94 0.00 0.00 78 E 8.49 4.88 0.00 2.05 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 0.00 2.25 2.27 0.00 79 S 8.77 4.86 0.00 3.80 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 80 G 9.05 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 0.00 0.00 0.00 81 R 7.90 4.82 0.00 1.97 1.98 0.00 3.32 0.00 0.00 3.50 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 82 M 7.81 4.25 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 7.96 4.40 0.00 2.88 2.93 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 84 L 8.07 4.04 0.00 1.83 1.76 0.93 0.64 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 85 V 7.90 3.72 2.27 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 1.14 0.00 0.00 0.96 0.00 0.00 86 E 7.94 3.96 0.00 2.21 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 0.00 2.54 2.50 0.00 87 K 7.70 3.95 0.00 1.92 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.63 7.81 88 Y 8.10 4.25 0.00 3.07 3.12 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 89 L 8.26 3.56 0.00 1.70 1.66 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.03 3.56 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 0.84 0.00 0.00 91 R 7.20 3.65 0.00 1.87 1.96 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 92 R 7.82 3.03 0.00 1.19 1.55 0.00 3.01 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 93 Q 8.27 4.00 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 94 N 7.73 4.19 0.00 2.74 2.75 0.00 0.00 6.87 7.49 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 95 Y 7.15 4.39 0.00 3.04 2.86 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 96 E 7.54 4.10 0.00 1.79 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 0.00 2.39 2.43 0.00 97 S 7.80 4.55 0.00 3.97 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 98 L 8.22 4.68 0.00 1.59 1.67 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.65 4.81 0.00 3.97 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 0.00 100 K 8.26 4.14 0.00 1.71 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81