NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4961 8.2649 123.5878 51.9602 21.4167 178.6672 2 E 4.3212 9.4195 118.7002 56.8292 29.7578 176.9760 3 F 5.1045 6.6213 124.7955 58.0461 44.3902 172.3152 4 K 4.4540 8.2349 124.6721 54.5764 36.5378 174.6609 5 H 4.6025 8.8779 123.0541 54.3139 32.7930 172.1181 6 V 4.4578 8.4673 126.8195 61.2170 33.3456 174.2166 7 F 5.1999 9.1949 127.0548 55.6195 41.7328 174.6074 8 V 4.5586 8.5669 123.5711 60.8939 33.8708 174.1142 9 C 5.0186 8.7117 129.5830 58.9143 31.8244 173.4605 10 V 4.6307 8.4146 119.2017 60.1418 32.6501 175.6581 11 Q 4.0911 8.1471 122.8798 56.5591 29.8384 174.6276 12 D 5.3460 8.6299 124.4368 52.6993 44.5179 174.8048 13 R 4.7136 8.2599 119.9542 53.5867 34.3911 173.5613 14 P 4.4765 0.0000 0.0000 61.8623 31.9643 175.8816 15 P 4.2696 0.0000 0.0000 65.7148 31.2779 178.0964 16 G 3.7035 7.9732 104.9903 47.0459 0.0000 173.2377 17 H 4.1317 8.0074 121.5295 55.7210 30.2292 173.5758 18 P 4.1886 0.0000 0.0000 66.0702 31.1169 177.4105 19 Q 4.1974 7.9331 112.7431 55.5517 29.6096 178.2023 20 G 3.8519 8.4465 107.3253 45.9842 0.0000 172.7442 21 S 4.6480 7.9484 113.7271 57.4314 65.9081 175.3914 22 C 4.1884 8.6652 118.2645 62.6743 28.4783 176.3594 23 A 4.0385 8.3945 123.0621 55.1690 18.1279 179.6644 24 Q 4.0589 7.9342 113.8548 58.8055 28.8336 177.4735 25 R 4.3484 7.6999 115.4034 56.0541 30.0534 176.9319 26 G 3.9967 8.3212 106.6052 46.5042 0.0000 176.2703 27 S 4.2868 8.3607 117.4694 60.9257 62.8793 176.4385 28 R 4.1046 8.0149 121.4410 58.9516 29.3946 178.3658 29 E 4.0578 8.1386 118.6196 58.8140 29.4140 179.4133 30 V 3.5746 7.6988 118.1695 65.8973 31.7315 177.4332 31 F 4.2525 8.7003 120.8751 61.5720 39.1467 176.7740 32 Q 3.8159 8.5156 118.8909 59.1797 28.8619 178.1446 33 A 3.9273 8.1814 121.8190 55.1268 18.3289 179.6337 34 F 3.9875 8.2134 116.2872 60.7939 39.0899 177.7702 35 M 3.8874 7.9165 118.2565 58.4207 31.5518 178.3488 36 E 3.9363 8.1199 117.5480 59.6860 30.1372 179.5576 37 K 4.0558 8.0559 117.9721 59.5877 32.1865 179.3737 38 I 4.0210 8.1806 120.4894 63.4456 37.9370 175.3588 39 Q 4.7473 7.5814 119.3221 53.5495 29.1567 173.5973 40 T 4.1492 8.0780 107.4694 59.9684 73.0130 174.3144 41 D 4.6745 7.5854 121.1866 51.3222 43.4512 173.7171 42 P 4.2725 0.0000 0.0000 65.8438 31.3072 178.1098 43 Q 4.0314 8.2085 116.1676 59.3292 29.0060 178.3846 44 L 4.1347 8.1068 119.1814 57.8660 41.6534 178.7682 45 F 4.1151 8.0114 120.4320 61.0388 39.2835 176.5707 46 M 4.2313 8.0357 115.1811 57.3362 32.3940 176.1648 47 T 4.7697 8.0962 112.2230 61.9580 69.3766 172.9517 48 T 5.0331 7.7499 114.7925 62.0058 72.8655 173.2212 49 V 4.3223 8.1460 124.2990 61.0224 34.8121 174.0902 50 I 4.7639 8.2759 127.5716 59.7885 39.4732 174.9718 51 T 4.8596 8.7909 124.0234 61.0399 71.8970 171.7156 52 P 4.9797 0.0000 0.0000 62.5065 32.9720 174.9830 53 T 4.7045 8.7132 111.1625 59.9987 73.0828 173.3052 54 G 4.2339 8.4099 109.2714 45.0282 0.0000 172.7523 55 C 4.1378 8.7265 120.0369 60.5910 31.6307 173.5352 56 M 4.6209 8.6579 125.1850 55.0477 31.9812 175.3558 57 N 4.3082 8.5034 113.3071 54.3400 36.2818 174.3041 58 A 4.8003 7.7105 117.0200 51.0920 19.7973 178.7393 59 C 4.0988 8.5251 121.3388 64.2489 28.5649 176.6486 60 M 4.3415 8.0633 115.8456 57.2737 31.8536 176.4534 61 M 4.6691 8.4436 119.2720 55.0369 33.5150 176.2968 62 G 4.3490 8.1578 107.8644 44.5281 0.0000 171.9169 63 P 4.6006 0.0000 0.0000 62.6887 32.6768 175.8339 64 V 4.8684 8.4879 123.8487 61.5522 33.6266 174.4908 65 V 4.9772 8.7699 127.2112 61.0904 35.0173 174.1457 66 V 4.3513 8.6311 126.9329 60.8088 34.7323 173.9970 67 V 4.6650 8.3496 127.7191 61.3677 33.6225 174.0268 68 Y 5.3471 8.8612 125.4757 55.3968 41.3046 175.0271 69 P 4.7839 0.0000 0.0000 64.3332 31.9820 176.9807 70 D 4.4433 8.2700 119.3146 56.2604 40.4271 177.4389 71 G 3.7039 8.3144 106.0504 46.2056 0.0000 172.3987 72 V 4.4213 7.4269 119.9994 61.3155 33.0671 174.3512 73 W 4.9479 9.3176 128.7469 55.3328 31.2348 174.8904 74 Y 5.3768 9.4456 122.4025 56.3738 40.5528 174.9948 75 G 4.4626 8.7819 108.5681 44.4348 0.0000 171.6331 76 Q 3.8596 8.8772 115.7213 55.2937 27.0316 174.7678 77 V 3.7388 7.6602 116.5792 62.7607 32.2590 175.3379 78 K 4.6653 8.8859 126.4185 53.9855 34.5243 175.5507 79 P 4.1709 0.0000 0.0000 65.9726 30.9427 178.7178 80 E 4.0583 8.0342 115.4009 58.5116 29.7772 177.9423 81 D 4.4931 8.1793 118.8182 55.4609 41.0706 178.5878 82 V 3.0281 7.2949 119.6909 65.7925 31.3347 177.5582 83 D 4.2190 7.8001 118.1321 57.2460 40.6513 178.2289 84 E 3.8971 7.9562 119.2727 59.2422 29.6722 178.6964 85 I 3.6696 7.5083 119.7675 64.3071 37.1392 178.5385 86 V 3.6285 7.9945 119.3153 66.1208 31.4691 178.0174 87 E 3.9573 8.5250 118.6131 59.3861 29.3207 179.4873 88 K 4.0439 8.5206 118.8584 58.9014 32.2198 178.2964 89 H 4.7355 7.9786 117.0012 58.5054 30.4506 176.9091 90 L 3.9358 7.9931 119.4206 57.2733 41.4967 178.5214 91 K 4.2424 8.1145 117.1917 58.4295 32.6570 178.2363 92 G 3.6902 7.9035 104.8437 45.8497 0.0000 174.7793 93 G 3.8752 8.4577 107.9209 45.2973 0.0000 172.8278 94 E 4.5122 8.1874 120.8917 53.2035 30.8622 174.0080 95 P 4.1856 0.0000 0.0000 62.5952 32.1213 177.1664 96 V 3.9784 9.0051 122.1803 61.6731 30.5841 176.0640 97 E 4.0097 8.9447 129.2138 59.0874 29.5712 179.3660 98 R 4.0745 8.0945 113.2727 58.2372 29.6865 176.8639 99 L 4.6363 8.0583 117.3661 54.2763 42.5934 176.0948 100 V 4.2180 7.9060 120.5711 62.6473 31.7857 175.5712 101 I 4.3120 8.6283 120.5439 61.5284 39.1711 175.6237 102 S 4.5355 7.4459 113.2668 57.2410 64.9641 174.4373 103 K 4.6471 8.3622 123.6209 55.5936 32.6230 176.1664 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 A 8.26 4.50 1.04 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 0.00 0.00 2 E 9.42 4.32 0.00 2.06 1.46 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 2.23 2.46 0.00 3 F 6.62 5.10 0.00 2.92 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 4 K 8.23 4.45 0.00 1.47 1.37 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.23 1.37 7.81 5 H 8.88 4.60 0.00 2.82 3.08 0.00 5.58 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.47 4.46 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 0.22 0.00 0.00 0.60 0.00 0.00 7 F 9.19 5.20 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.57 4.56 2.32 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 1.20 0.00 0.00 0.96 0.00 0.00 9 C 8.71 5.02 0.00 3.07 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 10 V 8.41 4.63 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 0.90 0.00 0.00 0.82 0.00 0.00 11 Q 8.15 4.09 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 12 D 8.63 5.35 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 4.71 0.00 1.75 1.71 0.00 3.19 0.00 0.00 2.73 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 14 P 0.00 4.48 0.00 2.19 1.98 0.00 3.62 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 2.11 2.11 0.00 15 P 0.00 4.27 0.00 2.04 2.15 0.00 3.68 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 2.04 2.12 0.00 16 G 7.97 3.70 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 0.00 0.00 0.00 17 H 8.01 4.13 0.00 3.18 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.19 0.00 1.98 2.08 0.00 3.38 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 19 Q 7.93 4.20 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 20 G 8.45 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 21 S 7.95 4.65 0.00 4.17 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 0.00 22 C 8.67 4.19 0.00 3.10 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 23 A 8.39 4.04 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 24 Q 7.93 4.06 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.21 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 25 R 7.70 4.35 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 26 G 8.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.29 0.00 4.19 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 0.00 28 R 8.01 4.10 0.00 1.93 2.09 0.00 3.14 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 29 E 8.14 4.06 0.00 2.18 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 2.34 2.38 0.00 30 V 7.70 3.57 2.39 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 1.25 0.00 0.00 0.97 0.00 0.00 31 F 8.70 4.25 0.00 3.20 3.27 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 32 Q 8.52 3.82 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 33 A 8.18 3.93 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 34 F 8.21 3.99 0.00 3.16 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 35 M 7.92 3.89 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 36 E 8.12 3.94 0.00 1.98 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 2.32 2.56 0.00 37 K 8.06 4.06 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 38 I 8.18 4.02 1.90 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 1.75 1.40 0.93 0.00 0.00 39 Q 7.58 4.75 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 1.72 2.12 0.00 40 T 8.08 4.15 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 1.23 0.00 0.00 41 D 7.59 4.67 0.00 2.78 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 42 P 0.00 4.27 0.00 2.21 2.10 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 43 Q 8.21 4.03 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 44 L 8.11 4.13 0.00 2.01 1.74 0.98 1.03 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 45 F 8.01 4.12 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 46 M 8.04 4.23 0.00 2.12 2.35 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 2.66 0.00 47 T 8.10 4.77 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 1.28 0.00 0.00 48 T 7.75 5.03 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 1.05 0.00 0.00 49 V 8.15 4.32 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 0.79 0.00 0.00 0.98 0.00 0.00 50 I 8.28 4.76 1.74 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 1.23 0.93 0.69 0.00 0.00 51 T 8.79 4.86 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 1.37 0.00 0.00 52 P 0.00 4.98 0.00 1.61 0.53 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 53 T 8.71 4.70 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 1.37 0.00 0.00 54 G 8.41 4.23 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 0.00 55 C 8.73 4.14 0.00 3.06 2.89 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 56 M 8.66 4.62 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 57 N 8.50 4.31 0.00 2.90 2.94 0.00 0.00 6.80 7.35 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 58 A 7.71 4.80 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 59 C 8.53 4.10 0.00 3.05 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 60 M 8.06 4.34 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 61 M 8.44 4.67 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 62 G 8.16 4.35 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 63 P 0.00 4.60 0.00 2.25 2.06 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 64 V 8.49 4.87 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 1.14 0.00 0.00 1.07 0.00 0.00 65 V 8.77 4.98 2.30 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 0.88 0.00 0.00 1.09 0.00 0.00 66 V 8.63 4.35 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 -0.67 0.00 0.00 -0.56 0.00 0.00 67 V 8.35 4.66 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 0.74 0.00 0.00 0.93 0.00 0.00 68 Y 8.86 5.35 0.00 3.13 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 69 P 0.00 4.78 0.00 2.29 2.31 0.00 3.82 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 2.08 2.11 0.00 70 D 8.27 4.44 0.00 2.83 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 71 G 8.31 3.70 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 0.00 0.00 0.00 72 V 7.43 4.42 1.89 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 0.35 0.00 0.00 0.84 0.00 0.00 73 W 9.32 4.95 0.00 3.36 3.16 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 74 Y 9.45 5.38 0.00 3.08 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 75 G 8.78 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 0.00 0.00 0.00 0.00 76 Q 8.88 3.86 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 77 V 7.66 3.74 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 0.74 0.00 0.00 1.06 0.00 0.00 78 K 8.89 4.67 0.00 1.89 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.45 7.81 79 P 0.00 4.17 0.00 2.11 2.07 0.00 3.58 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 2.11 2.18 0.00 80 E 8.03 4.06 0.00 1.87 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 2.42 0.00 81 D 8.18 4.49 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 82 V 7.29 3.03 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 0.04 0.00 0.00 0.44 0.00 0.00 83 D 7.80 4.22 0.00 2.64 2.63 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 84 E 7.96 3.90 0.00 1.98 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 2.35 2.38 0.00 85 I 7.51 3.67 1.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.27 1.00 0.00 0.00 86 V 7.99 3.63 2.22 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 1.03 0.00 0.00 0.96 0.00 0.00 87 E 8.53 3.96 0.00 2.03 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 2.45 2.47 0.00 88 K 8.52 4.04 0.00 1.88 1.99 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 89 H 7.98 4.74 0.00 3.41 3.57 0.00 5.69 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 90 L 7.99 3.94 0.00 1.83 1.69 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.11 4.24 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.39 7.81 92 G 7.90 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 0.00 0.00 0.00 93 G 8.46 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 94 E 8.19 4.51 0.00 1.89 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 2.22 2.24 0.00 95 P 0.00 4.19 0.00 2.02 1.80 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 96 V 9.01 3.98 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 0.94 0.00 0.00 0.96 0.00 0.00 97 E 8.94 4.01 0.00 2.07 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 2.41 2.34 0.00 98 R 8.09 4.07 0.00 1.99 2.09 0.00 3.06 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 99 L 8.06 4.64 0.00 1.93 1.87 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.91 4.22 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 0.81 0.00 0.00 0.91 0.00 0.00 101 I 8.63 4.31 1.90 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 1.47 0.93 1.02 0.00 0.00 102 S 7.45 4.54 0.00 3.59 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 0.00 103 K 8.36 4.65 0.00 1.72 1.63 0.00 1.85 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.32 7.81