NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4101 8.3049 120.3289 54.9796 33.4298 174.6281 4 K 4.2388 8.4842 122.8622 55.3466 33.2550 176.2032 5 F 4.9349 8.7271 121.7035 54.7824 44.6988 175.6526 6 V 3.6928 9.3757 123.0193 66.3968 31.0793 177.8173 7 Y 4.1092 8.5297 118.4932 60.6647 38.4591 178.0098 8 K 4.2741 8.3990 118.9295 59.6231 32.0642 178.9142 9 E 4.0370 8.1463 117.6996 58.9398 29.4861 178.3634 10 E 4.4685 8.0231 115.2053 55.2552 30.1878 175.4914 11 H 4.7283 7.2882 116.1302 52.1888 32.3188 172.2684 12 P 4.4464 0.0000 0.0000 62.5171 33.0709 176.8055 13 F 4.1103 9.0135 122.6861 61.9079 39.2123 177.2651 14 E 3.9664 8.4077 118.0705 59.0146 29.5163 178.7109 15 K 3.9546 8.0194 118.1718 59.4414 32.1845 179.2023 16 R 4.0028 7.7785 117.8066 59.3309 29.9676 179.0743 17 R 4.2392 7.9181 120.0408 58.9012 30.0281 178.2308 18 S 4.0039 8.1716 113.0820 61.4706 62.3446 175.8828 19 E 3.9896 8.2237 121.7297 59.2465 29.4458 178.8799 20 G 3.2606 8.6371 106.2440 47.6323 0.0000 175.1810 21 E 2.7741 7.9703 121.9963 58.4441 29.4431 179.0170 22 K 3.7779 7.6926 118.4171 59.6182 32.0445 179.4604 23 I 3.6794 7.7359 119.9858 64.3092 36.5031 178.7005 24 R 3.7750 7.9313 119.0520 59.1039 29.6037 179.3143 25 K 3.9523 7.5823 117.4904 59.1248 32.1419 179.1098 26 K 3.8345 7.8526 119.0756 58.1372 33.7393 176.7463 27 Y 4.8521 7.7044 116.1104 55.6197 37.8065 174.5093 28 P 4.4565 0.0000 0.0000 64.2918 32.5232 177.7808 29 D 4.7534 8.0737 118.1217 54.0161 41.1124 175.3791 30 R 5.0407 7.8004 118.0267 54.2720 33.5208 175.3740 31 V 4.1037 8.5926 121.2627 60.3094 34.2869 172.7094 32 P 5.0549 0.0000 0.0000 62.3895 32.7271 175.5154 33 V 5.0819 9.0305 123.7045 60.0879 35.3591 173.9778 34 I 4.4203 8.4404 125.3545 59.7652 38.6802 174.6475 35 V 4.9342 9.0524 127.8257 61.1393 33.8746 173.8719 36 E 5.0113 9.5735 128.7589 54.1776 33.3442 174.3469 37 K 3.7325 8.7603 127.2807 55.4561 33.3554 176.2973 38 A 3.9370 8.7030 129.9936 51.6081 18.9041 176.4276 39 P 4.0552 0.0000 0.0000 65.9022 31.1039 177.6790 40 K 4.1207 7.6946 114.4643 56.0176 32.4753 176.9535 41 A 4.3739 7.3939 122.4604 52.0975 18.5747 177.6765 42 R 4.3841 8.5618 120.4902 55.9509 30.5749 176.7719 43 I 3.9612 7.4707 118.5018 60.2608 38.6999 175.7996 44 G 3.8701 8.4554 113.9793 45.6351 0.0000 173.2381 45 D 4.7774 8.4848 121.2401 53.8220 41.7370 176.2490 46 L 4.6663 8.0004 121.2270 53.6302 43.1056 176.9937 47 D 4.5726 8.9766 121.9541 56.7895 41.0264 177.1476 48 K 4.6844 7.9478 115.7577 54.6143 34.8474 175.7356 49 K 4.7645 8.3318 119.2263 56.0573 34.6750 175.8634 50 K 4.6920 7.5497 121.1377 54.9889 33.2593 175.3510 51 Y 4.8666 9.0250 124.2431 56.0564 42.7272 174.2986 52 L 5.0445 8.6581 122.7513 53.7013 44.3872 175.7997 53 V 4.5191 8.5018 119.5421 58.4551 35.7367 173.7466 54 P 4.5855 0.0000 0.0000 62.5280 31.9334 178.0185 55 S 4.0964 8.7599 118.4171 61.0842 63.0255 175.4358 56 D 4.5968 7.8535 117.5801 52.8597 39.9317 176.0873 57 L 3.9785 7.6721 124.3884 55.4539 42.6913 176.3495 58 T 4.7848 8.2058 116.3551 60.7142 71.5877 175.7929 59 V 3.5505 8.5125 122.6120 66.3441 31.4865 178.7362 60 G 3.5536 8.0278 105.4538 47.8627 0.0000 175.4587 61 Q 4.0433 7.9253 121.6399 58.7066 28.9820 177.8858 62 F 4.2917 8.3933 121.9587 61.4637 39.3273 176.4757 63 Y 4.1807 8.0664 116.8076 61.2348 37.7167 178.4573 64 F 4.0394 8.2726 121.1760 61.5319 39.3805 177.1906 65 L 4.0085 8.4206 118.5533 57.7848 41.3929 179.6206 66 I 3.6575 8.1306 119.9549 64.3005 36.9639 178.4498 67 R 3.7889 8.1026 119.2963 59.1702 29.9116 179.0007 68 K 3.6388 7.6089 118.9840 59.4304 31.9851 178.6490 69 R 3.8541 7.8768 118.4510 58.8344 30.0104 177.0612 70 I 4.3556 7.5828 107.8642 60.1740 37.9520 174.9629 71 H 3.8866 7.5960 115.1979 57.1101 26.2870 174.9865 72 L 4.2459 8.0408 120.6419 54.1675 42.9840 176.5155 73 R 3.9846 8.3829 124.3620 55.6860 30.8722 176.4194 74 A 3.8742 8.6629 123.7938 54.4446 18.7110 177.1622 75 E 4.0779 8.9633 118.8608 56.9284 27.5934 175.1062 76 D 4.4162 7.8335 117.6467 54.1175 41.3783 176.2261 77 A 3.9681 8.1804 124.0926 51.9961 19.3520 176.9703 78 L 4.4052 7.0431 122.3574 53.7703 45.2054 174.8250 79 F 4.7492 9.1026 124.3371 55.7076 43.4917 174.0300 80 F 5.9238 9.4262 120.5542 56.5014 41.6881 174.8653 81 F 5.3721 9.6511 119.9846 55.7897 42.8345 174.0747 82 V 4.5898 8.9198 123.5139 61.4964 34.0247 175.4718 83 N 4.2690 9.7608 126.8300 54.5841 36.0446 173.8511 84 N 4.1346 8.1752 109.8610 54.0675 38.0357 172.9170 85 V 4.4558 7.6765 115.7381 60.4201 33.9252 174.5017 86 I 4.9349 8.6023 127.8964 59.6649 37.2206 174.1603 87 P 4.6896 0.0000 0.0000 61.6643 32.4103 174.5780 88 P 4.6148 0.0000 0.0000 62.8743 32.1928 177.4279 89 T 3.8010 8.7228 111.2521 64.5569 68.7768 176.1830 90 S 4.1389 7.9815 114.8850 59.6454 63.7796 174.3872 91 A 4.2510 7.8612 126.0214 52.4220 18.8925 176.8150 92 T 4.9543 8.6863 112.6873 60.6968 71.9780 176.2492 93 M 4.2771 8.8350 122.6390 58.5783 31.9251 179.4312 94 G 3.6798 8.4886 106.2904 47.9050 0.0000 175.7674 95 Q 4.0541 8.1112 120.5804 58.7775 28.7561 178.9191 96 L 4.1127 8.1511 119.9851 57.8598 41.6050 178.9963 97 Y 3.9592 8.5226 119.8899 60.7230 38.5751 177.7087 98 Q 4.1051 8.2236 119.2088 59.5752 29.2144 178.0543 99 E 4.1053 7.9990 118.1097 58.5568 29.6722 177.2383 100 H 4.8720 8.0007 112.1171 54.9253 30.5879 173.5983 101 H 4.1564 7.7553 115.7486 55.5938 28.7232 175.2025 102 E 4.3887 8.9116 121.7653 55.4227 30.5004 177.4182 103 E 4.0820 8.6657 118.4957 58.4604 29.5380 177.5892 104 D 4.6852 8.3414 118.2459 53.0103 39.7797 177.5885 105 F 3.9851 8.1257 116.9695 58.0983 37.3356 174.4549 106 F 5.0393 8.7014 120.0038 55.8822 41.4497 174.5685 107 L 4.7705 8.7662 124.0573 54.4237 43.7004 174.7264 108 Y 4.6971 8.5915 123.0316 56.1177 40.2001 175.0190 109 I 4.8397 8.8967 124.7652 59.4997 40.6530 174.5057 110 A 5.5017 9.3254 129.4411 51.0512 21.0059 175.4077 111 Y 5.8321 8.8723 118.4110 55.8378 41.7083 174.4010 112 S 5.0038 9.3918 114.6921 57.6634 66.7161 174.0509 113 D 5.0664 8.9293 120.3759 53.3288 39.8508 175.6759 114 E 5.0050 8.2514 119.2467 54.8898 32.7651 176.0093 115 S 3.7386 8.4863 114.6396 58.4886 63.6813 173.9655 116 V 4.3724 7.4047 121.2021 61.1087 33.2234 175.1940 117 Y 3.5723 8.0650 128.4938 57.5468 36.7118 175.5344 118 G 3.2161 8.1285 113.2215 44.5058 0.0000 171.1400 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 3 M 8.30 4.41 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 4 K 8.48 4.24 0.00 2.08 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 1.09 7.81 5 F 8.73 4.93 0.00 3.04 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 6 V 9.38 3.69 2.43 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 1.05 0.00 0.00 1.00 0.00 0.00 7 Y 8.53 4.11 0.00 3.31 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 8 K 8.40 4.27 0.00 2.10 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.48 1.25 7.81 9 E 8.15 4.04 0.00 2.10 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 0.00 2.65 2.54 0.00 10 E 8.02 4.47 0.00 1.71 1.76 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 2.44 2.43 0.00 11 H 7.29 4.73 0.00 2.82 2.99 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.45 0.00 2.32 2.21 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 13 F 9.01 4.11 0.00 3.23 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 14 E 8.41 3.97 0.00 2.29 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 0.00 2.44 2.50 0.00 15 K 8.02 3.95 0.00 2.12 1.86 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.53 1.10 7.81 16 R 7.78 4.00 0.00 1.99 2.10 0.00 3.39 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 17 R 7.92 4.24 0.00 1.00 1.62 0.00 3.42 0.00 0.00 3.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 18 S 8.17 4.00 0.00 4.15 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 19 E 8.22 3.99 0.00 2.19 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 0.00 2.42 2.39 0.00 20 G 8.64 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 0.00 0.00 0.00 21 E 7.97 2.77 0.00 1.16 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 1.89 1.47 0.00 22 K 7.69 3.78 0.00 1.92 1.75 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 23 I 7.74 3.68 1.71 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 1.67 0.93 0.91 0.00 0.00 24 R 7.93 3.77 0.00 1.82 1.92 0.00 3.02 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.01 0.00 25 K 7.58 3.95 0.00 1.77 1.74 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.47 7.81 26 K 7.85 3.83 0.00 1.49 1.36 0.00 1.27 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.73 0.21 7.81 27 Y 7.70 4.85 0.00 2.95 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 28 P 0.00 4.46 0.00 2.14 2.13 0.00 3.34 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 29 D 8.07 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 30 R 7.80 5.04 0.00 1.75 1.78 0.00 2.93 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 31 V 8.59 4.10 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 1.15 0.00 0.00 0.83 0.00 0.00 32 P 0.00 5.05 0.00 1.41 1.87 0.00 3.13 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.62 0.00 33 V 9.03 5.08 2.20 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 0.99 0.00 0.00 1.01 0.00 0.00 34 I 8.44 4.42 0.82 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 -0.08 -0.36 0.57 0.00 0.00 35 V 9.05 4.93 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 0.92 0.00 0.00 0.85 0.00 0.00 36 E 9.57 5.01 0.00 2.38 2.19 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 2.30 2.40 0.00 37 K 8.76 3.73 0.00 1.24 1.52 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 0.84 7.81 38 A 8.70 3.94 1.08 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 0.00 0.00 39 P 0.00 4.06 0.00 2.06 2.11 0.00 3.37 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 40 K 7.69 4.12 0.00 1.65 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.31 7.81 41 A 7.39 4.37 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.56 4.38 0.00 1.82 1.97 0.00 3.21 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 43 I 7.47 3.96 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.97 0.00 0.00 44 G 8.46 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 0.00 0.00 0.00 45 D 8.48 4.78 0.00 2.77 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 46 L 8.00 4.67 0.00 1.90 1.80 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.98 4.57 0.00 2.74 2.79 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 0.00 0.00 0.00 48 K 7.95 4.68 0.00 1.48 1.31 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.29 7.81 49 K 8.33 4.76 0.00 1.73 1.81 0.00 2.24 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.39 7.81 50 K 7.55 4.69 0.00 1.55 1.54 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 51 Y 9.02 4.87 0.00 3.00 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 52 L 8.66 5.04 0.00 1.56 1.47 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.50 4.52 1.85 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 0.58 0.00 0.00 1.01 0.00 0.00 54 P 0.00 4.59 0.00 2.00 1.90 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 55 S 8.76 4.10 0.00 4.02 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 56 D 7.85 4.60 0.00 2.77 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 57 L 7.67 3.98 0.00 1.68 1.67 0.81 0.22 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 58 T 8.21 4.78 4.43 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 1.24 0.00 0.00 59 V 8.51 3.55 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 0.12 0.00 0.00 1.04 0.00 0.00 60 G 8.03 3.55 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 0.00 61 Q 7.93 4.04 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 62 F 8.39 4.29 0.00 3.23 2.87 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 63 Y 8.07 4.18 0.00 3.07 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 64 F 8.27 4.04 0.00 3.20 3.29 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 65 L 8.42 4.01 0.00 1.96 1.72 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.13 3.66 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.69 0.00 0.00 67 R 8.10 3.79 0.00 1.72 1.80 0.00 3.07 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 68 K 7.61 3.64 0.00 1.33 1.70 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.27 7.81 69 R 7.88 3.85 0.00 1.83 2.11 0.00 3.35 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 70 I 7.58 4.36 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.00 0.00 0.00 71 H 7.60 3.89 0.00 3.29 3.40 0.00 5.65 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 72 L 8.04 4.25 0.00 1.66 1.48 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.38 3.98 0.00 2.07 1.83 0.00 3.28 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 74 A 8.66 3.87 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.96 4.08 0.00 2.03 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 2.23 2.24 0.00 76 D 7.83 4.42 0.00 2.82 2.56 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 0.00 0.00 0.00 0.00 77 A 8.18 3.97 1.22 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 78 L 7.04 4.41 0.00 1.30 0.91 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 79 F 9.10 4.75 0.00 2.90 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 80 F 9.43 5.92 0.00 3.01 2.87 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 81 F 9.65 5.37 0.00 3.02 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 82 V 8.92 4.59 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 0.94 0.00 0.00 0.99 0.00 0.00 83 N 9.76 4.27 0.00 2.73 2.78 0.00 0.00 7.10 8.00 0.00 0.00 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 N 8.18 4.13 0.00 2.67 2.84 0.00 0.00 6.97 7.71 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 85 V 7.68 4.46 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 1.08 0.00 0.00 1.01 0.00 0.00 86 I 8.60 4.93 1.83 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 0.39 1.45 1.01 0.00 0.00 87 P 0.00 4.69 0.00 2.13 2.13 0.00 4.03 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 88 P 0.00 4.61 0.00 2.15 2.25 0.00 3.74 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 2.10 1.99 0.00 89 T 8.72 3.80 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 1.32 0.00 0.00 90 S 7.98 4.14 0.00 4.00 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 91 A 7.86 4.25 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 92 T 8.69 4.95 4.44 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 1.26 0.00 0.00 93 M 8.83 4.28 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.02 0.00 94 G 8.49 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 95 Q 8.11 4.05 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 96 L 8.15 4.11 0.00 1.95 1.84 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.52 3.96 0.00 3.13 3.15 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 98 Q 8.22 4.11 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 99 E 8.00 4.11 0.00 1.81 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 0.00 2.29 2.48 0.00 100 H 8.00 4.87 0.00 3.24 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.76 4.16 0.00 2.56 1.85 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.91 4.39 0.00 2.47 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 0.00 2.47 2.42 0.00 103 E 8.67 4.08 0.00 2.17 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 2.31 2.24 0.00 104 D 8.34 4.69 0.00 3.08 2.88 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 0.00 0.00 0.00 105 F 8.13 3.99 0.00 3.10 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 0.00 106 F 8.70 5.04 0.00 3.15 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 0.00 107 L 8.77 4.77 0.00 1.99 1.83 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.59 4.70 0.00 2.46 1.43 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 0.00 109 I 8.90 4.84 1.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.70 -0.12 0.00 0.00 110 A 9.33 5.50 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.87 5.83 0.00 3.40 3.32 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 0.00 112 S 9.39 5.00 0.00 4.14 4.36 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 0.00 113 D 8.93 5.07 0.00 2.90 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 0.00 114 E 8.25 5.00 0.00 2.04 1.91 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 2.30 2.37 0.00 115 S 8.49 3.74 0.00 3.44 3.01 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 0.00 116 V 7.40 4.37 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 0.81 0.00 0.00 0.94 0.00 0.00 117 Y 8.07 3.57 0.00 1.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 0.00 0.00 0.00