NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3625 8.3049 120.3474 55.1371 33.4009 174.6762 2 E 3.9909 8.3059 124.6640 54.3034 30.0290 175.9990 3 H 4.7102 8.1068 121.0339 53.8978 28.4893 173.3386 4 V 4.3841 7.6717 124.7966 60.3161 34.7204 175.5070 5 A 4.5396 8.3826 126.2985 50.4274 19.9947 176.2978 6 F 3.0018 8.5674 124.4801 59.5572 39.6317 175.5290 7 G 3.5700 7.5621 115.1447 45.1400 0.0000 173.5806 8 S 4.1448 7.3702 116.4384 58.1411 63.3231 175.4475 9 E 3.9866 8.8126 122.3706 58.8727 29.7077 177.4048 10 D 4.9199 7.7575 118.0638 53.7724 41.7211 177.8288 11 I 3.5340 7.5867 122.3925 64.2847 37.3362 177.2541 12 E 4.0289 8.1382 117.8601 59.4784 29.1539 178.8772 13 N 4.3991 7.9008 116.4571 56.4129 39.0670 177.2260 14 T 4.0002 7.7633 116.6539 66.6051 68.6723 176.3120 15 L 4.2056 8.2042 119.7895 56.4979 41.4804 178.9797 16 A 4.2791 7.6824 120.3437 54.3454 18.3691 178.7123 17 K 4.3197 7.5191 113.8739 56.7910 33.3728 176.4905 18 M 4.3852 7.3929 121.4468 54.1919 33.0842 176.5360 19 D 4.7512 8.4654 124.2568 52.5397 42.0094 176.7966 20 D 4.5632 8.7462 119.4801 56.7311 38.8251 178.9459 21 G 3.5941 7.9943 105.8887 47.7253 0.0000 175.2886 22 Q 4.1481 8.1455 119.8784 58.4202 28.9375 178.0868 23 L 3.9209 7.9636 121.4523 58.1333 41.8886 178.5577 24 D 4.6172 7.8327 117.7312 56.1040 41.1594 177.6881 25 G 3.8618 7.9326 105.6559 43.8555 0.0000 173.7207 26 L 4.0549 7.0690 121.4372 54.2898 42.1036 177.6644 27 A 4.1322 7.9691 123.1640 53.1004 18.7704 176.8558 28 F 5.0823 6.4612 109.9232 54.5810 41.7405 174.8198 29 G 4.3097 9.6109 106.8665 45.9416 0.0000 172.7674 30 A 5.4906 9.2817 124.5388 50.3648 22.9307 175.0926 31 I 5.0129 9.0594 123.1613 59.4307 41.2774 174.1733 32 Q 4.6176 8.9005 127.9517 54.1669 31.1137 174.2097 33 L 5.3697 8.8041 126.2472 53.0030 45.8200 176.3667 34 D 5.1352 8.1361 121.1074 51.2151 41.3241 177.4624 35 G 3.7638 8.8263 107.1631 48.4282 0.0000 174.0168 36 D 4.7053 8.5132 117.4556 54.4330 41.5266 177.1344 37 G 4.0881 8.8404 108.7718 45.2904 0.0000 173.0671 38 N 4.9327 8.6716 117.9754 52.6653 39.4130 174.2919 39 I 4.4126 8.5727 123.9561 61.3560 37.6355 176.4264 40 L 4.3631 9.1867 127.6787 56.0274 43.1769 177.1556 41 Q 4.7085 7.7203 115.3844 54.6966 33.7237 174.1914 42 Y 4.9309 8.4313 122.8445 57.0123 41.2525 173.9540 43 N 5.0214 8.9075 125.2876 51.8903 39.4855 176.2981 44 A 4.0495 9.1584 120.8144 55.3381 18.4516 179.8353 45 A 3.9806 7.9693 118.7862 55.2041 18.5636 179.3596 46 E 4.0122 8.3745 117.6353 59.3956 29.6937 179.1265 47 G 3.8779 8.1258 105.4181 47.9295 0.0000 175.4565 48 D 4.4249 8.0323 120.4674 57.3070 40.8875 178.5787 49 I 4.0002 7.7412 119.5579 63.8491 37.2902 177.6392 50 T 4.5236 8.3122 108.3641 61.4098 69.7567 175.8247 51 G 4.0299 8.5677 110.2723 45.2326 0.0000 174.1868 52 R 4.0201 7.3224 118.5764 55.9418 30.9013 175.5541 53 D 4.6430 8.3619 120.7849 52.7471 42.0934 174.7974 54 P 4.1218 0.0000 0.0000 66.0866 31.2037 178.7549 55 K 4.0217 7.5135 114.4346 59.3668 31.9570 179.0349 56 Q 4.1146 7.8169 117.2596 57.8913 29.0281 177.8233 57 V 3.9367 7.2980 112.1517 60.8766 31.9846 176.1225 58 I 3.9145 7.1075 120.3180 62.6083 37.3125 176.0804 59 G 3.9919 9.0204 114.6329 45.1775 0.0000 173.9743 60 K 4.2191 7.8825 119.1584 55.5089 33.2689 175.3654 61 N 4.8870 8.8378 120.1010 52.5672 39.7948 175.7338 62 F 3.8562 9.1623 129.0918 61.2865 39.5816 177.2103 63 F 4.0011 7.5449 117.2593 59.3425 39.1449 176.4958 64 K 4.0738 8.1783 120.7073 58.2405 32.6045 177.0302 65 D 4.5018 7.8138 116.8634 56.4292 41.6283 178.1885 66 V 3.5968 7.4844 116.6743 64.9768 32.3754 176.1306 67 A 4.3009 7.4986 121.4827 49.2729 18.4460 174.6600 68 P 4.0991 0.0000 0.0000 64.7630 31.9335 179.3948 69 C 4.2745 7.7106 112.8589 60.4168 29.9173 174.1979 70 T 4.1803 7.7296 110.2268 62.0702 68.8671 174.2172 71 D 5.2766 7.7012 123.2690 53.0128 39.5787 174.7641 72 S 4.7261 7.8997 117.5443 56.1788 65.4635 174.8757 73 P 4.2081 0.0000 0.0000 65.5238 31.1623 178.5920 74 E 4.0731 7.8507 115.2783 57.8256 29.2445 176.0296 75 F 4.4982 7.4046 118.8010 58.6341 42.3275 175.5191 76 Y 4.1369 9.0922 120.5639 60.8577 38.9417 179.1375 77 G 3.5832 8.3451 108.0964 47.1499 0.0000 175.8592 78 K 4.0061 7.9616 120.2963 58.9096 32.1412 179.1203 79 F 4.0990 8.4199 121.2782 61.2414 39.5706 177.4403 80 K 3.7697 8.4119 118.7885 59.7837 32.3698 179.0124 81 E 3.9712 8.0060 119.7263 59.1040 29.3454 179.4823 82 G 3.6749 7.9085 105.8777 46.6933 0.0000 175.9839 83 V 3.2383 7.0799 119.5054 65.5779 31.5316 177.7350 84 A 4.0714 7.4509 118.9585 55.1539 18.2772 179.4100 85 S 4.3028 7.8450 112.3257 59.3134 63.0138 175.7321 86 G 3.9846 8.9668 108.8103 45.3356 0.0000 172.5854 87 N 4.9805 7.6345 116.6245 51.9512 42.2218 172.9040 88 L 4.5907 8.2963 125.0935 54.4378 45.8424 173.4424 89 N 5.3212 8.7179 123.1966 53.6118 40.3499 172.7245 90 T 4.8886 9.1832 119.8545 60.4488 71.6640 171.7828 91 M 5.4178 8.6258 126.1447 53.9402 35.3605 174.0704 92 F 5.0070 8.4147 118.9172 56.0929 41.7683 172.9393 93 E 4.9100 8.9291 119.3423 56.3124 30.8096 174.9815 94 Y 4.9042 8.9051 122.2319 56.9695 43.2641 173.3030 95 T 4.9335 7.6926 119.3701 61.7789 70.9575 173.7047 96 F 5.2891 9.0703 126.5627 56.3548 40.4099 176.4324 97 D 4.9594 8.7786 121.1311 53.2562 40.5036 174.0310 98 Y 4.4985 8.2648 121.1281 57.8572 38.9690 174.7910 99 Q 3.3173 8.4378 126.7444 56.2291 26.3835 173.0088 100 M 4.6573 7.5125 111.6512 54.2784 33.8250 174.0569 101 T 3.9822 8.3035 116.7503 62.7130 69.0510 172.7973 102 P 4.5605 0.0000 0.0000 63.8074 32.0908 175.6814 103 T 4.6148 9.0364 121.2939 61.4087 71.5414 173.1940 104 K 4.5603 8.6388 128.3344 56.2851 33.6077 175.9601 105 V 4.5178 8.7665 119.6733 59.5698 36.8667 173.8644 106 K 4.7530 8.8704 123.7889 54.7975 34.2275 174.9618 107 V 4.9312 8.6740 127.4536 61.2641 34.4945 173.5714 108 H 5.2509 9.3776 127.2574 54.7892 32.6140 171.7366 109 M 5.1359 9.1594 126.4017 53.6143 34.3747 175.2085 110 K 5.1604 8.9118 123.9024 54.4908 36.3832 175.0799 111 K 4.3406 8.8690 128.7745 56.5111 32.6849 176.5189 112 A 4.5616 8.1903 129.3017 51.3524 18.9182 177.4628 113 L 3.9876 8.6823 120.7915 58.0097 42.3985 177.5663 114 S 4.2322 7.8555 111.6372 57.5647 62.2733 172.8200 115 G 3.5220 7.9364 111.5800 47.4084 0.0000 173.7847 116 D 5.0621 7.6062 118.7227 52.0655 40.1637 175.4597 117 S 4.8805 6.9286 113.0901 56.9475 67.4989 174.3332 118 Y 4.9280 9.0079 118.5959 56.2361 42.4777 174.2619 119 W 5.1204 9.5050 122.7481 55.1830 32.0081 175.5126 120 V 4.6021 8.5681 122.8268 61.2975 33.7482 174.1401 121 F 5.7313 9.1397 127.2738 56.0278 41.7925 175.1811 122 V 5.3215 9.3052 121.8155 61.3881 35.2373 174.0896 123 K 4.9162 8.6954 125.2587 54.9661 36.2555 175.5813 124 R 4.3155 8.5076 121.8136 56.4584 31.1009 176.7696 125 V 3.9714 7.7900 116.5337 61.6132 32.4434 175.5943 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 4.36 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 2 E 8.31 3.99 0.00 2.03 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 2.27 2.38 0.00 3 H 8.11 4.71 0.00 3.25 3.33 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.67 4.38 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 0.78 0.00 0.00 0.87 0.00 0.00 5 A 8.38 4.54 1.27 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 0.00 0.00 6 F 8.57 3.00 0.00 2.47 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 7 G 7.56 3.57 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 0.00 0.00 0.00 8 S 7.37 4.14 0.00 3.77 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 9 E 8.81 3.99 0.00 2.05 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 2.24 2.31 0.00 10 D 7.76 4.92 0.00 2.67 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 11 I 7.59 3.53 1.67 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.26 0.77 0.00 0.00 12 E 8.14 4.03 0.00 2.41 2.35 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 2.42 2.42 0.00 13 N 7.90 4.40 0.00 2.89 2.92 0.00 0.00 7.06 7.09 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 14 T 7.76 4.00 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 1.15 0.00 0.00 15 L 8.20 4.21 0.00 1.49 1.53 -0.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.68 4.28 1.45 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 0.00 0.00 17 K 7.52 4.32 0.00 2.00 1.95 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.59 1.47 7.81 18 M 7.39 4.39 0.00 2.08 2.21 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 2.57 2.63 0.00 19 D 8.47 4.75 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.56 0.00 2.95 3.03 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 21 G 7.99 3.59 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 0.00 0.00 0.00 22 Q 8.15 4.15 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 23 L 7.96 3.92 0.00 2.04 1.82 1.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.83 4.62 0.00 2.87 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 25 G 7.93 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 0.00 0.00 0.00 26 L 7.07 4.05 0.00 1.38 0.57 0.54 0.53 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 27 A 7.97 4.13 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 28 F 6.46 5.08 0.00 3.41 3.09 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 29 G 9.61 4.31 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 0.00 30 A 9.28 5.49 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 0.00 0.00 0.00 0.00 0.00 31 I 9.06 5.01 1.63 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 0.64 0.62 0.78 0.00 0.00 32 Q 8.90 4.62 0.00 1.24 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 33 L 8.80 5.37 0.00 1.70 1.59 0.63 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.14 5.14 0.00 2.99 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 35 G 8.83 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.51 4.71 0.00 2.90 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 37 G 8.84 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 38 N 8.67 4.93 0.00 3.08 2.75 0.00 0.00 7.03 8.21 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 39 I 8.57 4.41 2.02 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 1.24 0.79 1.03 0.00 0.00 40 L 9.19 4.36 0.00 1.37 1.65 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.72 4.71 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 42 Y 8.43 4.93 0.00 2.96 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 43 N 8.91 5.02 0.00 3.04 2.98 0.00 0.00 6.46 7.05 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 44 A 9.16 4.05 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 45 A 7.97 3.98 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 46 E 8.37 4.01 0.00 1.95 1.55 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 1.47 2.13 0.00 47 G 8.13 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 48 D 8.03 4.42 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.74 4.00 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.72 1.07 0.00 0.00 50 T 8.31 4.52 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 1.49 0.00 0.00 51 G 8.57 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 0.00 0.00 0.00 52 R 7.32 4.02 0.00 1.85 1.68 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 53 D 8.36 4.64 0.00 2.65 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 54 P 0.00 4.12 0.00 2.27 2.58 0.00 3.70 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 55 K 7.51 4.02 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.63 7.81 56 Q 7.82 4.11 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 57 V 7.30 3.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.08 0.00 0.00 58 I 7.11 3.91 1.85 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 1.38 0.62 0.97 0.00 0.00 59 G 9.02 3.99 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 0.00 0.00 0.00 60 K 7.88 4.22 0.00 1.81 1.66 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.43 7.81 61 N 8.84 4.89 0.00 2.71 2.72 0.00 0.00 7.14 7.26 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 62 F 9.16 3.86 0.00 2.65 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 0.00 0.00 0.00 0.00 63 F 7.54 4.00 0.00 2.51 2.26 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 64 K 8.18 4.07 0.00 1.67 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.35 7.81 65 D 7.81 4.50 0.00 2.75 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 66 V 7.48 3.60 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 0.65 0.00 0.00 0.82 0.00 0.00 67 A 7.50 4.30 -0.18 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 68 P 0.00 4.10 0.00 1.82 1.90 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.00 69 C 7.71 4.27 0.00 3.27 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 70 T 7.73 4.18 2.96 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 0.56 0.00 0.00 71 D 7.70 5.28 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.90 4.73 0.00 4.13 4.07 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 0.00 0.00 0.00 73 P 0.00 4.21 0.00 2.21 2.12 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 74 E 7.85 4.07 0.00 2.28 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 2.37 2.33 0.00 75 F 7.40 4.50 0.00 2.72 2.96 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 76 Y 9.09 4.14 0.00 2.96 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 77 G 8.35 3.58 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 0.00 0.00 0.00 78 K 7.96 4.01 0.00 1.92 1.85 0.00 1.17 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.36 7.81 79 F 8.42 4.10 0.00 3.38 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 80 K 8.41 3.77 0.00 1.83 1.78 0.00 1.08 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.90 1.50 7.81 81 E 8.01 3.97 0.00 2.15 1.96 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 2.25 2.38 0.00 82 G 7.91 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.08 3.24 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 0.73 0.00 0.00 -0.68 0.00 0.00 84 A 7.45 4.07 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 85 S 7.84 4.30 0.00 3.87 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 86 G 8.97 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 87 N 7.63 4.98 0.00 2.78 2.62 0.00 0.00 6.53 6.66 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 88 L 8.30 4.59 0.00 1.82 1.61 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.72 5.32 0.00 2.77 2.73 0.00 0.00 6.86 7.70 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 90 T 9.18 4.89 4.34 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 1.42 0.00 0.00 91 M 8.63 5.42 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 92 F 8.41 5.01 0.00 3.18 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 93 E 8.93 4.91 0.00 1.96 1.96 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 2.28 2.34 0.00 94 Y 8.91 4.90 0.00 3.34 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 95 T 7.69 4.93 4.14 0.00 0.00 0.00 0.00 0.00 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 96 F 9.07 5.29 0.00 3.05 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 97 D 8.78 4.96 0.00 2.77 2.74 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 98 Y 8.26 4.50 0.00 2.81 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 99 Q 8.44 3.32 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 100 M 7.51 4.66 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 101 T 8.30 3.98 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 1.23 0.00 0.00 102 P 0.00 4.56 0.00 1.95 2.06 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 T 9.04 4.61 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 1.25 0.00 0.00 104 K 8.64 4.56 0.00 1.82 1.64 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 105 V 8.77 4.52 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 0.44 0.00 0.00 0.24 0.00 0.00 106 K 8.87 4.75 0.00 1.64 1.36 0.00 1.54 0.00 0.00 1.46 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.35 7.81 107 V 8.67 4.93 0.83 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 0.57 0.00 0.00 0.96 0.00 0.00 108 H 9.38 5.25 0.00 2.91 2.89 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.16 5.14 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 110 K 8.91 5.16 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 111 K 8.87 4.34 0.00 1.93 1.74 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.02 7.81 112 A 8.19 4.56 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 0.00 113 L 8.68 3.99 0.00 1.71 1.76 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.86 4.23 0.00 3.83 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 0.00 115 G 7.94 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.61 5.06 0.00 2.60 2.67 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 0.00 0.00 0.00 0.00 117 S 6.93 4.88 0.00 3.56 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 0.00 118 Y 9.01 4.93 0.00 3.23 3.03 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 0.00 119 W 9.50 5.12 0.00 2.94 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 0.00 120 V 8.57 4.60 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 1.17 0.00 0.00 0.86 0.00 0.00 121 F 9.14 5.73 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 0.00 122 V 9.31 5.32 2.52 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 1.28 0.00 0.00 1.30 0.00 0.00 123 K 8.70 4.92 0.00 1.62 1.46 0.00 1.00 0.00 0.00 0.67 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.89 7.81 124 R 8.51 4.32 0.00 1.83 1.83 0.00 3.19 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 125 V 7.79 3.97 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 0.64 0.00 0.00 0.92 0.00 0.00