NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4998 8.3044 120.3258 54.1084 34.4914 175.7527 2 D 4.2810 7.5275 119.0037 52.9252 42.0586 172.9329 3 E 4.1276 8.6387 119.1062 56.7401 29.2208 176.1949 4 D 4.8095 8.2827 127.6821 54.1981 41.9344 176.6903 5 V 3.2645 7.8653 112.7830 62.7949 30.9116 172.0366 6 L 4.7546 6.8937 112.0184 53.8362 44.5893 173.4784 7 P 4.2219 0.0000 0.0000 65.6734 32.0741 176.8648 8 G 4.1534 7.1077 102.7424 43.4825 0.0000 173.7499 9 E 4.5077 8.6427 119.0867 59.6347 29.6391 180.0125 10 V 3.7427 7.6016 111.7873 64.1005 31.8146 178.0688 11 L 4.0646 8.1505 119.5050 58.2359 41.7640 178.9199 12 A 3.9133 7.6556 120.7520 54.8933 18.3065 179.5607 13 I 3.4612 7.6610 111.4223 63.7041 37.9744 177.9698 14 E 4.2108 8.6750 119.8843 59.0264 29.2516 179.5180 15 G 3.5022 7.9000 106.0847 47.6224 0.0000 176.0360 16 I 3.7617 7.4595 122.3397 63.0737 36.9840 178.2421 17 F 4.6523 7.8859 118.7786 60.3806 39.1289 177.8504 18 M 4.1912 7.9277 116.1565 56.8071 32.0153 177.4820 19 A 4.3698 8.2639 121.3135 54.2688 20.1249 178.4478 20 C 4.3251 7.8986 114.7553 61.5221 31.5301 175.3485 21 G 4.3203 7.5733 108.3057 47.2463 0.0000 175.1965 22 L 4.4210 7.7825 119.7024 56.1869 41.8860 176.5486 23 N 4.5405 8.1950 117.6164 52.3466 40.3582 173.7095 24 E 4.2815 8.5077 127.1327 53.7407 29.3752 174.5048 25 P 4.4273 0.0000 0.0000 62.8809 31.7919 176.6678 26 E 4.6920 8.7450 123.1854 56.4533 30.3525 176.2700 27 Y 4.6517 7.7351 117.2452 57.7887 40.0323 175.6665 28 L 4.5365 5.8093 119.6323 53.0557 45.1086 174.9243 29 Y 4.3739 8.1185 125.9275 55.6374 39.0574 174.5870 30 H 4.3419 8.6730 121.6422 58.0189 29.6692 175.6768 31 P 4.5196 0.0000 0.0000 61.5537 31.1860 175.4072 32 L 3.4977 8.0910 119.5133 56.6647 40.9067 175.5931 33 L 3.3914 8.2203 118.3944 57.7067 41.0298 178.4191 34 S 4.3463 7.9620 118.0582 55.7329 63.8815 175.8930 35 P 3.9952 0.0000 0.0000 67.3967 31.5496 177.2375 36 I 3.8240 7.4262 119.6369 62.8038 37.2004 177.9950 37 K 3.9209 7.9263 120.3457 59.6455 32.0424 178.6854 38 L 4.0572 7.6617 118.9067 57.8984 41.6382 178.8133 39 Y 4.0771 7.9621 117.0573 61.2808 37.8021 179.0828 40 I 4.4116 8.5697 115.4289 64.0368 37.5537 178.2878 41 T 4.0476 8.1067 116.8311 66.1268 68.4036 176.6686 42 G 3.7064 8.6326 108.0485 47.6756 0.0000 175.5177 43 L 3.9640 7.7546 123.0873 58.0555 41.9310 178.5119 44 M 4.4302 8.4955 118.3524 58.8321 31.7239 178.2822 45 R 3.9634 7.5080 118.2244 59.3779 30.6285 177.6761 46 D 4.4025 7.8813 117.0236 57.2648 41.6168 178.1939 47 K 3.5368 8.3860 119.0011 58.7374 31.7648 178.5134 48 E 3.4582 7.5747 120.0737 59.5074 29.2250 179.0450 49 S 4.0727 7.5007 112.1112 61.2355 63.0932 176.1676 50 L 4.0035 7.9574 123.9592 57.8358 41.8874 178.6465 51 F 4.4394 7.0634 117.0571 60.8762 38.8904 177.2160 52 E 3.6593 8.9652 118.1872 59.6155 28.9712 179.4257 53 A 4.1151 7.7180 119.8128 54.8548 18.6570 178.8779 54 M 4.2308 7.9103 115.3717 58.3930 32.6911 177.9885 55 L 4.5445 8.8831 119.0639 57.7311 42.2148 178.3768 56 A 4.1712 8.0185 120.1938 55.1534 18.6059 177.8046 57 N 4.8712 8.0165 112.6337 52.2586 39.1942 175.0560 58 V 4.3353 7.0645 118.6611 61.0676 32.4669 171.1344 59 R 3.7738 8.1723 121.7513 54.5040 29.3192 176.3161 60 F 4.1024 7.9299 118.3805 57.5805 38.3137 176.8847 61 H 4.5755 8.8087 123.7127 56.5612 26.8875 174.9688 62 S 3.6633 8.0649 116.2721 60.0293 64.2824 173.0357 63 T 3.4178 8.1513 110.8654 64.9579 66.6479 176.7512 64 T 3.8390 7.7281 115.1151 65.2380 67.4925 175.6494 65 G 3.3366 7.5791 107.1261 47.5471 0.0000 175.9318 66 I 3.7204 7.1808 121.4524 63.8351 37.0640 177.5685 67 D 4.3104 8.2908 119.6459 57.8174 40.7131 178.4708 68 Q 3.9013 7.8851 117.9373 59.0402 28.9811 177.8305 69 L 4.1640 7.1853 119.5042 57.7141 42.4981 178.7611 70 G 3.5454 8.7092 106.3165 47.6763 0.0000 175.3885 71 L 3.7167 7.6612 123.6049 57.5070 42.0015 178.7535 72 S 3.9562 8.0935 112.7558 61.3960 62.0517 175.5468 73 M 3.9758 8.2567 120.1318 58.3908 30.2630 178.5455 74 L 3.7974 7.8373 120.7158 58.1948 42.4559 178.2767 75 Q 4.0311 8.0171 117.7328 58.8682 28.8636 177.9585 76 V 3.9952 7.4667 118.2626 62.7110 31.9265 176.6730 77 S 4.7005 8.2798 114.4973 58.0510 63.0724 176.2478 78 G 3.6016 8.1396 111.3360 48.0866 0.0000 173.6035 79 D 4.4322 6.6045 109.9410 53.5560 44.0174 176.0891 80 G 4.0203 7.9549 119.0470 44.6491 0.0000 171.8722 81 N 4.4250 8.1670 120.9151 51.8133 39.8538 172.7933 82 M 3.0136 7.9693 120.2657 56.0022 29.4166 177.3025 83 N 5.1728 7.0637 124.6230 51.2486 39.8056 176.5793 84 W 5.2309 8.8139 120.3859 60.4920 29.2341 178.1559 85 G 3.8780 8.4920 104.2778 48.6471 0.0000 174.8784 86 R 4.0531 8.7759 120.8290 58.4395 29.8842 178.4461 87 A 4.3419 8.3524 120.3622 55.7747 18.6441 179.4041 88 L 4.1183 8.8795 118.8793 57.9734 42.1923 178.9387 89 A 4.0900 8.5322 121.4476 55.4736 18.1958 179.4746 90 I 3.8093 7.7341 114.7904 63.9840 38.4644 177.3342 91 L 3.9084 8.3956 120.6937 57.7714 41.5469 179.1882 92 T 3.9110 8.6091 115.6955 66.8655 68.6075 176.1724 93 F 3.6347 8.1241 122.0216 61.3295 39.1592 177.4343 94 G 3.3544 7.7992 105.0374 47.5967 0.0000 175.6161 95 S 4.2162 7.2009 113.9178 61.1473 63.0173 175.4082 96 F 3.9786 8.1705 123.2451 61.5736 39.1787 177.4724 97 V 3.3398 7.7825 111.9381 64.1107 30.9161 178.1670 98 A 3.9180 7.6363 120.1319 55.5945 18.1528 179.4595 99 Q 4.0058 7.8752 116.0878 58.6292 28.6081 177.9394 100 K 4.1718 7.5707 117.0590 57.2379 32.8670 177.5022 101 L 4.8298 7.8065 119.6747 56.2013 41.6572 178.2548 102 S 4.1553 7.4007 113.0079 60.7527 62.4272 174.6219 103 N 4.6807 8.1569 115.4624 53.6736 39.6829 174.3327 104 E 4.5243 7.9767 117.0034 53.1374 30.8606 174.3122 105 P 4.5979 0.0000 0.0000 63.9677 31.3290 177.4362 106 H 4.2899 8.3660 117.1401 59.6944 28.6312 177.1506 107 L 4.4448 8.1820 119.3648 57.3710 41.3426 179.0526 108 R 3.9412 7.9025 117.4233 58.4699 30.2425 177.5838 109 D 4.4936 8.2762 118.6357 57.3690 41.3009 178.0843 110 F 4.2684 8.0495 115.0119 59.9951 37.7886 176.9018 111 A 3.0787 6.4111 121.3985 54.6419 17.6311 179.6868 112 L 3.9770 7.3732 116.3701 57.4411 42.0563 178.4787 113 A 4.4910 7.6735 116.6408 52.1622 19.3015 177.0254 114 V 4.2364 8.1713 116.7183 64.0694 33.9771 177.0183 115 L 4.0589 7.6774 121.3077 57.8823 41.6159 177.2220 116 P 4.3826 0.0000 0.0000 65.9442 31.3859 177.8854 117 A 4.3028 8.0975 120.7504 55.1973 18.3030 179.1801 118 Y 4.2641 8.6663 114.8652 60.5689 37.7489 178.2296 119 A 4.2572 8.4394 122.7162 55.6029 18.5261 179.1314 120 Y 4.4348 8.1739 115.8607 59.5752 38.2148 177.3421 121 E 3.1866 7.2185 120.1568 58.9792 29.7815 178.5025 122 A 4.1575 8.0985 119.4084 55.0430 18.5619 179.0289 123 I 4.2680 7.4335 117.4842 63.7686 38.0381 177.6393 124 G 4.1066 8.2715 106.3180 45.1313 0.0000 172.4343 125 P 4.3290 0.0000 0.0000 65.5229 31.4251 178.9181 126 Q 3.9605 8.0960 117.5700 59.1128 29.0791 177.5692 127 W 4.4930 8.4116 128.9155 60.6779 30.6722 177.5278 128 F 3.8848 8.5613 120.2522 61.3601 38.7605 177.4748 129 R 4.0583 8.6477 116.4772 59.0834 29.8600 178.2167 130 A 4.3180 8.2776 119.8201 54.2773 19.3957 178.7582 131 R 3.9924 8.0990 115.5560 58.8936 30.6839 179.0499 132 G 2.6860 7.1469 107.4232 45.1779 0.0000 173.0022 133 G 3.6025 6.7035 106.6457 44.4909 0.0000 169.7228 134 W 3.9120 6.9503 122.0974 57.7144 27.9376 176.2806 135 R 4.1652 7.9202 117.2574 59.5447 29.3652 179.1092 136 G 3.4774 7.8300 105.0272 47.8026 0.0000 175.6173 137 L 3.6971 7.5276 121.8656 56.8694 41.3035 179.5114 138 K 3.7930 8.1739 118.9611 59.4205 32.3601 178.4134 139 A 4.2043 7.9437 120.5973 54.9655 18.4369 178.9742 140 Y 4.3742 8.8693 119.0799 60.8954 38.6168 177.3014 141 C 3.7961 8.2220 119.5284 62.3586 31.5784 175.0456 142 T 4.2631 7.7747 110.1230 63.8506 68.9785 176.8753 143 Q 4.0652 7.7983 119.8048 58.6231 28.7404 178.4839 144 V 4.0699 7.5481 113.1556 63.0243 31.6939 176.6802 145 L 4.4577 7.2938 120.2329 54.0967 44.4930 175.2930 146 T 4.2241 8.4087 115.6053 61.8628 68.8906 173.6108 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 M 8.30 4.50 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 D 7.53 4.28 0.00 2.64 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 3 E 8.64 4.13 0.00 1.99 1.94 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 2.31 2.30 0.00 4 D 8.28 4.81 0.00 2.88 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 5 V 7.87 3.26 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 0.81 0.00 0.00 0.88 0.00 0.00 6 L 6.89 4.75 0.00 1.82 1.53 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.22 0.00 2.21 2.16 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 G 7.11 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 0.00 0.00 0.00 9 E 8.64 4.51 0.00 1.74 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 2.16 1.89 0.00 10 V 7.60 3.74 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 0.94 0.00 0.00 0.89 0.00 0.00 11 L 8.15 4.06 0.00 1.70 1.69 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.66 3.91 1.13 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 13 I 7.66 3.46 2.26 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.86 1.09 0.00 0.00 14 E 8.68 4.21 0.00 2.26 2.44 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 2.47 2.35 0.00 15 G 7.90 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 0.00 0.00 0.00 16 I 7.46 3.76 1.62 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.58 0.00 0.00 17 F 7.89 4.65 0.00 3.23 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 18 M 7.93 4.19 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 19 A 8.26 4.37 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 20 C 7.90 4.33 0.00 2.88 2.97 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 0.00 0.00 0.00 21 G 7.57 4.32 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 0.00 22 L 7.78 4.42 0.00 1.61 1.72 0.90 0.95 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 N 8.20 4.54 0.00 2.55 2.65 0.00 0.00 7.18 7.25 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 24 E 8.51 4.28 0.00 1.95 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 2.21 2.25 0.00 25 P 0.00 4.43 0.00 1.60 2.16 0.00 3.49 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 26 E 8.75 4.69 0.00 1.99 1.99 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 2.21 2.43 0.00 27 Y 7.74 4.65 0.00 3.00 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 28 L 5.81 4.54 0.00 1.65 1.05 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.12 4.37 0.00 2.81 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 30 H 8.67 4.34 0.00 3.12 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.52 0.00 2.15 1.93 0.00 3.78 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 1.95 2.03 0.00 32 L 8.09 3.50 0.00 1.09 0.50 0.57 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.22 3.39 0.00 1.43 1.35 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.96 4.35 0.00 3.84 3.79 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 35 P 0.00 4.00 0.00 2.13 2.49 0.00 3.36 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 36 I 7.43 3.82 1.75 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 1.53 0.93 1.08 0.00 0.00 37 K 7.93 3.92 0.00 1.78 1.81 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.70 7.81 38 L 7.66 4.06 0.00 1.82 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.96 4.08 0.00 3.12 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 40 I 8.57 4.41 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 1.35 0.00 0.00 41 T 8.11 4.05 4.56 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 1.26 0.00 0.00 42 G 8.63 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.75 3.96 0.00 1.84 1.80 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.50 4.43 0.00 2.48 2.44 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.13 2.79 0.00 45 R 7.51 3.96 0.00 2.03 2.12 0.00 3.32 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 46 D 7.88 4.40 0.00 2.72 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 47 K 8.39 3.54 0.00 1.59 0.74 0.00 1.13 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.52 7.81 48 E 7.57 3.46 0.00 2.48 2.24 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 2.40 2.62 0.00 49 S 7.50 4.07 0.00 4.00 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 50 L 7.96 4.00 0.00 1.44 1.31 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.06 4.44 0.00 2.18 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 52 E 8.97 3.66 0.00 2.20 2.13 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 2.58 2.80 0.00 53 A 7.72 4.12 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 54 M 7.91 4.23 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 55 L 8.88 4.54 0.00 1.95 2.00 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.02 4.17 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 57 N 8.02 4.87 0.00 2.74 3.05 0.00 0.00 7.21 7.74 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 58 V 7.06 4.34 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 0.78 0.00 0.00 0.91 0.00 0.00 59 R 8.17 3.77 0.00 1.68 1.71 0.00 3.19 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 60 F 7.93 4.10 0.00 3.20 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 61 H 8.81 4.58 0.00 3.36 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.06 3.66 0.00 4.20 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 0.00 63 T 8.15 3.42 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 1.17 0.00 0.00 64 T 7.73 3.84 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 65 G 7.58 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.18 3.72 1.49 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.40 0.00 0.00 67 D 8.29 4.31 0.00 2.56 2.55 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 68 Q 7.89 3.90 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 69 L 7.19 4.16 0.00 1.68 1.74 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.71 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 71 L 7.66 3.72 0.00 1.56 1.54 -0.50 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.09 3.96 0.00 3.95 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 73 M 8.26 3.98 0.00 2.25 2.34 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 2.68 2.66 0.00 74 L 7.84 3.80 0.00 1.49 1.63 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.02 4.03 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 76 V 7.47 4.00 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 0.86 0.00 0.00 0.89 0.00 0.00 77 S 8.28 4.70 0.00 3.79 3.86 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 78 G 8.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 6.60 4.43 0.00 2.54 2.45 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 0.00 80 G 7.95 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 0.00 0.00 0.00 0.00 81 N 8.17 4.43 0.00 2.59 2.68 0.00 0.00 6.86 7.62 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 82 M 7.97 3.01 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 83 N 7.06 5.17 0.00 2.47 2.70 0.00 0.00 7.01 7.64 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 84 W 8.81 5.23 0.00 3.57 3.34 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 0.00 0.00 0.00 0.00 85 G 8.49 3.88 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 0.00 0.00 0.00 86 R 8.78 4.05 0.00 2.18 1.96 0.00 3.25 0.00 0.00 3.35 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 87 A 8.35 4.34 1.74 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 0.00 0.00 88 L 8.88 4.12 0.00 2.10 2.02 1.18 0.96 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 89 A 8.53 4.09 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 0.00 0.00 0.00 0.00 0.00 90 I 7.73 3.81 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.94 1.10 0.00 0.00 91 L 8.40 3.91 0.00 2.08 1.91 1.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.61 3.91 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 93 F 8.12 3.63 0.00 3.01 3.05 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 94 G 7.80 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.20 4.22 0.00 4.36 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 96 F 8.17 3.98 0.00 3.07 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 97 V 7.78 3.34 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 -1.38 0.00 0.00 0.41 0.00 0.00 98 A 7.64 3.92 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.88 4.01 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 100 K 7.57 4.17 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.30 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.77 1.75 7.81 101 L 7.81 4.83 0.00 1.99 1.70 0.72 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.40 4.16 0.00 3.90 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 0.00 103 N 8.16 4.68 0.00 2.75 2.85 0.00 0.00 6.69 7.67 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 0.00 104 E 7.98 4.52 0.00 2.39 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 2.05 0.00 105 P 0.00 4.60 0.00 2.33 2.34 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 106 H 8.37 4.29 0.00 3.48 3.57 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.18 4.44 0.00 1.46 1.85 -0.10 0.98 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 0.00 108 R 7.90 3.94 0.00 1.81 2.09 0.00 3.37 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 109 D 8.28 4.49 0.00 2.87 2.97 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 0.00 0.00 0.00 110 F 8.05 4.27 0.00 3.27 3.34 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 0.00 0.00 0.00 0.00 111 A 6.41 3.08 1.01 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 0.00 112 L 7.37 3.98 0.00 1.74 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.67 4.49 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.17 4.24 2.66 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 1.25 0.00 0.00 1.28 0.00 0.00 115 L 7.68 4.06 0.00 1.67 1.79 0.84 1.27 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 0.00 116 P 0.00 4.38 0.00 2.40 2.46 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 117 A 8.10 4.30 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 0.00 118 Y 8.67 4.26 0.00 3.27 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 0.00 119 A 8.44 4.26 1.73 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 0.00 120 Y 8.17 4.43 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 0.00 121 E 7.22 3.19 0.00 1.49 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 2.25 2.29 0.00 122 A 8.10 4.16 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 0.00 123 I 7.43 4.27 2.47 0.00 0.00 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 1.75 1.02 1.35 0.00 0.00 124 G 8.27 4.11 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 0.00 0.00 0.00 125 P 0.00 4.33 0.00 2.23 2.18 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 126 Q 8.10 3.96 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 127 W 8.41 4.49 0.00 3.33 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 0.00 128 F 8.56 3.88 0.00 3.38 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 0.00 129 R 8.65 4.06 0.00 2.00 2.05 0.00 3.41 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 130 A 8.28 4.32 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 0.00 131 R 8.10 3.99 0.00 1.55 2.09 0.00 3.28 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 132 G 7.15 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 0.00 0.00 0.00 133 G 6.70 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 6.95 3.91 0.00 3.46 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 0.00 135 R 7.92 4.17 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 136 G 7.83 3.48 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 0.00 137 L 7.53 3.70 0.00 1.18 0.55 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.17 3.79 0.00 1.70 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.49 7.81 139 A 7.94 4.20 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 0.00 140 Y 8.87 4.37 0.00 3.03 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 0.00 141 C 8.22 3.80 0.00 3.40 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 0.00 142 T 7.77 4.26 4.25 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 1.27 0.00 0.00 143 Q 7.80 4.07 0.00 2.47 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 144 V 7.55 4.07 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 0.07 0.00 0.00 0.80 0.00 0.00 145 L 7.29 4.46 0.00 1.50 1.49 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.41 4.22 4.25 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 1.27 0.00 0.00