NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4123 8.1927 115.2908 58.3022 63.5679 175.5239 2 N 4.2469 5.7935 117.0681 55.6866 40.3155 174.0327 3 I 3.8085 8.6234 119.2556 63.9987 39.3922 175.4843 4 I 4.3415 6.8315 116.1156 61.5267 39.0056 174.4389 5 K 4.1697 8.8425 125.6505 58.4859 31.6386 178.4132 6 Q 3.8681 7.7110 118.6224 58.6418 29.2474 177.0942 7 L 4.1284 7.5488 117.3631 56.7718 42.6743 177.9253 8 E 4.2744 8.0187 118.0471 59.1500 29.8110 178.0551 9 Q 4.1304 8.5732 117.6505 58.5737 28.2687 177.7453 10 E 3.8777 7.8738 120.6248 58.1545 29.7260 176.7060 11 Q 4.4592 8.2320 116.2909 56.8992 31.0532 176.1546 12 M 3.7354 7.0338 116.5547 55.5609 32.4945 175.8584 13 K 4.5480 8.0823 120.0880 55.6312 35.1235 176.0343 14 Q 4.5085 8.2505 116.0265 55.8822 29.5393 176.4571 15 D 4.3959 7.9002 116.4009 54.6917 41.4434 176.2319 16 V 3.7899 7.0876 112.4385 60.6397 31.2701 174.4022 17 P 4.5666 0.0000 0.0000 61.3854 33.2246 175.7672 18 S 4.2868 8.3530 112.0875 59.0581 62.7157 173.2833 19 F 5.3422 7.9559 121.3329 56.3538 42.7052 173.6035 20 R 4.3222 7.2525 118.8022 55.8939 31.9783 173.0421 21 P 4.4586 0.0000 0.0000 63.6329 31.4741 176.7996 22 G 3.9238 7.5469 106.3993 45.5904 0.0000 173.1685 23 D 4.5425 7.2283 118.9042 55.3138 41.4150 177.0793 24 T 4.2029 8.5304 115.2704 64.6377 69.1928 176.6047 25 V 3.5943 7.5817 115.9580 61.2766 31.1043 171.8958 26 E 5.1269 8.2023 119.9960 54.8814 30.0884 173.3576 27 V 3.6060 8.3010 123.1323 62.6413 33.1823 174.4553 28 K 4.9317 8.5011 127.5393 55.0962 33.5054 176.0737 29 V 4.9097 8.4108 119.1483 58.8722 34.7115 175.7054 30 W 5.0746 8.3314 121.3793 57.2829 30.2505 175.3572 31 V 4.5207 8.6450 115.8398 61.9070 37.0588 174.6353 32 V 3.5772 8.3276 124.5257 63.1771 31.4435 170.9583 33 E 3.8173 7.9866 119.4356 56.8037 28.4275 172.8411 34 G 3.6150 8.3869 104.2008 46.0556 0.0000 173.1896 35 S 4.7228 8.2295 113.5226 57.5643 64.6250 174.9616 36 K 4.6037 6.9982 121.3117 57.1094 33.4303 177.3479 37 K 4.1677 8.5068 123.3069 57.6278 33.8684 174.7801 38 R 4.0145 7.9642 116.4809 56.8177 30.1456 175.3268 39 L 4.9351 8.3960 119.3258 53.2732 43.5336 175.7063 40 Q 4.5512 9.4963 126.4182 54.8827 30.4267 175.0685 41 A 4.7641 8.6611 128.0555 51.7292 19.9559 177.4282 42 F 4.7875 8.5113 120.2198 57.3959 40.0102 172.8279 43 E 4.3606 8.2532 121.3469 55.7153 30.4506 175.3807 44 G 4.1014 8.8789 117.8020 45.2130 0.0000 173.8726 45 V 4.5718 9.0840 126.7300 61.4598 34.0976 174.4961 46 V 4.0308 7.6862 120.9342 62.5328 31.6012 175.4564 47 I 4.2365 8.7872 117.1271 62.1620 39.9094 175.6374 48 A 4.8647 7.5525 123.4269 50.3032 21.4839 174.9796 49 I 4.4793 8.0325 114.9409 59.9677 42.0664 172.7036 50 R 3.9723 8.4129 117.8023 57.2826 28.6521 177.4552 51 N 4.2403 10.2700 106.7303 52.9089 34.5521 174.8826 52 R 4.5848 7.7924 114.0512 54.6579 32.7577 177.5536 53 G 3.6424 8.1664 108.3359 46.0621 0.0000 174.8837 54 L 3.8512 8.8577 121.8231 58.4841 41.9205 177.5484 55 H 4.5609 7.7979 116.5726 55.7696 28.2729 174.6145 56 S 4.8638 8.3940 119.6125 56.9067 67.6989 173.2080 57 A 5.9400 8.6888 123.4650 50.0569 22.4772 175.0694 58 F 4.7111 8.9590 113.4501 59.1923 41.4134 174.7618 59 T 3.2709 8.2457 125.9231 63.2175 65.1713 169.7470 60 V 4.7851 8.7257 125.2993 60.8265 34.6103 174.4778 61 R 4.6985 8.6289 127.1647 56.2089 31.0147 176.2397 62 K 4.0128 8.4545 122.3567 57.9042 34.2334 175.1753 63 I 3.2371 7.9492 119.6914 61.7826 33.7541 175.5525 64 S 4.5165 7.9787 125.9024 57.7488 62.7580 176.3156 65 N 4.4031 8.5595 118.6260 54.8400 36.6416 173.8499 66 G 4.2605 8.5449 114.5713 45.3255 0.0000 171.3887 67 E 4.4437 7.6913 119.8546 54.3662 31.0512 175.5497 68 G 4.0112 8.3789 110.3738 44.6626 0.0000 173.6468 69 V 4.5741 8.1740 116.2623 59.6419 35.3100 174.4596 70 E 5.0743 8.5648 122.6339 54.9655 32.4782 174.0944 71 R 4.1943 8.5320 126.9377 54.4161 32.8000 175.4297 72 V 4.5056 7.7639 120.4234 59.2006 30.2397 175.4377 73 F 4.2364 7.6803 122.6408 57.5910 40.8124 174.7734 74 Q 5.2490 7.7571 118.4999 58.5501 27.2096 178.5841 75 T 2.8206 6.5488 117.6263 65.2085 69.7825 175.8524 76 H 4.6617 7.2640 116.4685 55.6821 28.5927 175.7514 77 S 4.6285 7.2900 113.7656 55.5153 64.7599 172.4302 78 P 3.4470 0.0000 0.0000 65.6281 31.3843 178.6785 79 V 2.6503 7.2795 110.6776 63.1135 31.9206 178.6817 80 V 3.2244 8.0622 120.4607 62.9328 32.2929 177.8505 81 D 3.7899 6.6187 119.3575 54.6982 41.8179 175.4019 82 S 4.2306 8.2993 110.5702 58.1895 63.4889 173.3980 83 I 3.9455 7.5136 118.0187 60.5593 38.5773 174.3813 84 S 4.5637 8.3892 125.2890 57.8113 63.5948 173.1461 85 V 4.5445 8.0347 113.5746 60.2493 35.0283 178.9129 86 K 3.5831 8.2150 117.2534 56.9757 31.9425 175.8950 87 R 4.7287 8.9231 123.1194 55.0386 33.3768 174.4189 88 R 4.9952 8.0435 122.6630 54.1254 31.6678 175.4338 89 G 4.5115 8.4987 108.1046 44.2656 0.0000 171.3159 90 A 4.5626 8.9380 123.1675 50.9720 19.2638 176.6664 91 V 3.9814 8.3598 120.5980 64.2215 34.1025 175.3797 92 R 3.6646 8.4796 114.7749 55.5352 27.0717 174.6714 93 K 4.1682 7.1288 115.5310 56.2075 35.4268 174.1794 94 A 4.1812 8.7931 126.7053 54.1396 19.1143 177.9437 95 K 4.5114 7.6558 113.2497 54.6793 34.5580 176.8859 96 L 4.8853 7.9070 125.5008 54.5975 42.2310 178.3597 97 Y 4.4324 7.5763 117.9749 60.8959 38.3537 178.6627 98 Y 4.2264 8.1449 117.2144 59.5333 38.3457 176.4158 99 L 3.7942 6.9213 120.0752 55.2828 43.6428 177.4613 100 R 4.0602 7.8502 119.2173 57.1500 28.6096 177.9308 101 E 4.0725 9.3722 118.0732 56.9093 28.1795 176.4427 102 R 4.4156 7.4322 122.1786 55.0444 36.0332 177.3925 103 T 3.5335 7.6189 110.1404 62.6587 67.5568 171.3591 104 G 4.1264 8.2532 110.8310 46.5101 0.0000 173.3944 105 K 4.1003 8.9339 124.1027 57.6344 30.5482 178.1757 106 A 4.0480 7.9004 117.6628 53.6224 18.7647 177.7392 107 A 4.3262 7.8360 117.7195 53.9604 20.2092 177.6057 108 R 3.5556 6.7830 114.4928 53.3297 27.9649 175.7793 109 I 4.3561 8.0391 125.4129 59.0920 38.5866 176.0930 110 K 4.0452 8.7084 127.7470 56.5073 32.7380 176.8371 111 E 3.9979 8.9459 123.3061 56.7453 29.6805 176.1878 112 R 3.7175 8.9491 121.0845 54.3023 30.5836 172.9771 113 L 3.4715 7.7073 135.0000 54.7674 40.3200 174.2369 114 N 4.5155 8.4889 122.4622 53.4329 38.9313 174.5719 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 S 8.19 4.41 0.00 3.87 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 2 N 5.79 4.25 0.00 2.70 2.82 0.00 0.00 7.26 7.07 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 3 I 8.62 3.81 1.87 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 1.41 1.45 0.91 0.00 0.00 4 I 6.83 4.34 1.97 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 1.19 0.66 0.94 0.00 0.00 5 K 8.84 4.17 0.00 2.02 1.94 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.35 7.81 6 Q 7.71 3.87 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 7 L 7.55 4.13 0.00 1.79 1.69 0.91 1.01 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 8 E 8.02 4.27 0.00 2.12 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 2.27 2.33 0.00 9 Q 8.57 4.13 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 10 E 7.87 3.88 0.00 2.21 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 0.00 2.30 2.33 0.00 11 Q 8.23 4.46 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 12 M 7.03 3.74 0.00 1.69 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.24 0.00 13 K 8.08 4.55 0.00 1.80 1.74 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 14 Q 8.25 4.51 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 15 D 7.90 4.40 0.00 2.58 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 16 V 7.09 3.79 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 0.67 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.57 0.00 2.17 2.07 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 18 S 8.35 4.29 0.00 3.88 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 19 F 7.96 5.34 0.00 2.82 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 20 R 7.25 4.32 0.00 1.94 1.73 0.00 3.21 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 21 P 0.00 4.46 0.00 2.14 2.17 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 22 G 7.55 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 23 D 7.23 4.54 0.00 2.52 2.49 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 0.00 0.00 0.00 24 T 8.53 4.20 4.45 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 1.38 0.00 0.00 25 V 7.58 3.59 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 0.75 0.00 0.00 1.10 0.00 0.00 26 E 8.20 5.13 0.00 1.99 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 2.27 2.38 0.00 27 V 8.30 3.61 1.63 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 -0.10 0.00 0.00 1.08 0.00 0.00 28 K 8.50 4.93 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.53 7.81 29 V 8.41 4.91 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 0.69 0.00 0.00 1.13 0.00 0.00 30 W 8.33 5.07 0.00 3.26 3.02 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 0.00 31 V 8.64 4.52 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 0.66 0.00 0.00 1.03 0.00 0.00 32 V 8.33 3.58 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 0.89 0.00 0.00 0.91 0.00 0.00 33 E 7.99 3.82 0.00 2.10 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 2.35 0.00 34 G 8.39 3.61 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 0.00 0.00 0.00 35 S 8.23 4.72 0.00 3.82 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 36 K 7.00 4.60 0.00 1.86 1.71 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.48 7.81 37 K 8.51 4.17 0.00 1.42 1.60 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.10 1.16 7.81 38 R 7.96 4.01 0.00 1.86 2.04 0.00 3.00 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 39 L 8.40 4.94 0.00 1.60 1.73 1.14 1.03 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 40 Q 9.50 4.55 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 41 A 8.66 4.76 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 42 F 8.51 4.79 0.00 3.26 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 43 E 8.25 4.36 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 2.52 2.30 0.00 44 G 8.88 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 45 V 9.08 4.57 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 0.84 0.00 0.00 0.92 0.00 0.00 46 V 7.69 4.03 1.70 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 0.01 0.00 0.00 0.56 0.00 0.00 47 I 8.79 4.24 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.93 0.00 0.00 48 A 7.55 4.86 1.40 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 49 I 8.03 4.48 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.92 0.00 0.00 50 R 8.41 3.97 0.00 2.07 1.59 0.00 3.28 0.00 0.00 3.39 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 51 N 10.27 4.24 0.00 2.94 3.00 0.00 0.00 6.60 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 52 R 7.79 4.58 0.00 2.12 1.89 0.00 3.56 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 53 G 8.17 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 54 L 8.86 3.85 0.00 1.47 1.54 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.80 4.56 0.00 3.35 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.39 4.86 0.00 3.66 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 57 A 8.69 5.94 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 58 F 8.96 4.71 0.00 3.15 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 59 T 8.25 3.27 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 1.29 0.00 0.00 60 V 8.73 4.79 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 1.20 0.00 0.00 1.23 0.00 0.00 61 R 8.63 4.70 0.00 1.82 1.83 0.00 3.43 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 62 K 8.45 4.01 0.00 1.84 1.77 0.00 1.36 0.00 0.00 0.99 0.00 0.00 2.55 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.38 7.81 63 I 7.95 3.24 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.90 0.00 0.00 64 S 7.98 4.52 0.00 3.77 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 65 N 8.56 4.40 0.00 2.68 2.80 0.00 0.00 6.84 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 66 G 8.54 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 0.00 0.00 0.00 0.00 67 E 7.69 4.44 0.00 2.00 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 2.35 2.24 0.00 68 G 8.38 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.17 4.57 2.23 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 0.86 0.00 0.00 1.02 0.00 0.00 70 E 8.56 5.07 0.00 1.92 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 2.17 2.31 0.00 71 R 8.53 4.19 0.00 1.24 0.66 0.00 2.83 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 72 V 7.76 4.51 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 0.74 0.00 0.00 0.84 0.00 0.00 73 F 7.68 4.24 0.00 2.59 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 74 Q 7.76 5.25 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.32 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 75 T 6.55 2.82 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 1.08 0.00 0.00 76 H 7.26 4.66 0.00 3.24 3.20 0.00 5.59 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.29 4.63 0.00 3.76 3.54 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 78 P 0.00 3.45 0.00 1.98 1.90 0.00 3.53 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 2.06 2.03 0.00 79 V 7.28 2.65 2.02 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 0.73 0.00 0.00 0.82 0.00 0.00 80 V 8.06 3.22 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 0.50 0.00 0.00 0.41 0.00 0.00 81 D 6.62 3.79 0.00 2.32 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 0.00 0.00 0.00 82 S 8.30 4.23 0.00 4.03 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 83 I 7.51 3.95 1.78 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.85 0.00 0.00 84 S 8.39 4.56 0.00 3.91 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 85 V 8.03 4.54 2.18 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 0.86 0.00 0.00 1.00 0.00 0.00 86 K 8.21 3.58 0.00 1.89 1.66 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 87 R 8.92 4.73 0.00 1.87 1.76 0.00 3.16 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 88 R 8.04 5.00 0.00 1.99 2.03 0.00 3.12 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 89 G 8.50 4.51 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 0.00 90 A 8.94 4.56 1.31 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 0.00 0.00 91 V 8.36 3.98 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 0.93 0.00 0.00 0.96 0.00 0.00 92 R 8.48 3.66 0.00 1.97 1.97 0.00 3.30 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 93 K 7.13 4.17 0.00 1.65 1.64 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.28 1.32 7.81 94 A 8.79 4.18 1.23 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 0.00 0.00 95 K 7.66 4.51 0.00 1.29 0.74 0.00 1.47 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.88 0.91 7.81 96 L 7.91 4.89 0.00 1.61 1.30 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.58 4.43 0.00 3.10 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 98 Y 8.14 4.23 0.00 3.12 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 99 L 6.92 3.79 0.00 1.01 1.41 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.85 4.06 0.00 2.16 1.40 0.00 3.40 0.00 0.00 3.50 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 101 E 9.37 4.07 0.00 2.10 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 2.30 2.43 0.00 102 R 7.43 4.42 0.00 1.80 1.82 0.00 3.68 0.00 0.00 3.25 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 103 T 7.62 3.53 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 1.21 0.00 0.00 104 G 8.25 4.13 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 0.00 105 K 8.93 4.10 0.00 1.97 1.95 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.36 7.81 106 A 7.90 4.05 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 0.00 107 A 7.84 4.33 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 0.00 108 R 6.78 3.56 0.00 2.12 1.86 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 109 I 8.04 4.36 1.85 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 1.32 0.72 0.91 0.00 0.00 110 K 8.71 4.05 0.00 1.76 1.77 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.52 7.81 111 E 8.95 4.00 0.00 2.02 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 2.28 2.39 0.00 112 R 8.95 3.72 0.00 1.72 1.85 0.00 3.39 0.00 0.00 3.33 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 113 L 7.71 3.47 0.00 1.88 1.84 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.49 4.52 0.00 2.71 2.66 0.00 0.00 7.08 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