NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2231 8.3001 120.3477 54.7693 33.3294 174.4129 2 A 3.7528 8.6803 128.6336 52.3079 18.3399 175.3264 3 K 4.6525 9.3198 122.9896 55.3086 36.4883 175.7388 4 K 4.7601 8.4549 122.2965 54.6516 32.4542 174.7054 5 V 3.9259 8.0626 120.3108 62.9558 31.8732 175.4928 6 A 4.5089 9.1387 130.5300 53.9075 20.6659 176.0359 7 A 4.3805 7.1225 114.1390 52.0781 22.8587 174.8664 8 Q 4.7301 8.4595 113.6065 54.9997 33.1683 175.8665 9 I 4.3745 8.8004 124.6519 59.1726 37.9473 173.9434 10 K 4.6037 8.1554 124.3020 56.1133 33.4435 176.3070 11 L 4.5468 8.5788 123.3202 53.5230 46.7579 174.5618 12 Q 5.0247 8.6974 122.5063 55.1376 29.5690 174.9315 13 L 4.8125 9.0687 124.4418 51.6982 45.9210 174.5310 14 P 4.8137 0.0000 0.0000 62.6335 32.5161 175.8013 15 A 4.1967 9.9993 130.1204 53.4741 18.6653 178.2192 16 G 4.1114 9.6016 111.3319 46.0059 0.0000 174.4647 17 K 4.6130 8.4142 118.0986 55.8573 33.8460 176.3629 18 A 4.2683 8.2709 121.1472 52.2967 19.2969 177.8923 19 T 4.1649 8.2303 111.3650 60.8289 69.8411 171.6834 20 P 4.2387 0.0000 0.0000 63.5766 31.8940 175.7523 21 A 4.2008 8.7942 123.4834 52.0574 18.9331 177.7282 22 P 4.1097 0.0000 0.0000 65.6819 30.5772 176.1060 23 P 3.8669 0.0000 0.0000 66.2409 32.1265 178.1584 24 V 3.5930 8.4829 116.5734 65.9843 31.9912 178.2791 25 G 3.7427 8.0100 104.5934 47.9111 0.0000 173.2234 26 P 4.2087 0.0000 0.0000 65.4828 31.3531 177.6813 27 A 3.9372 7.4727 117.0008 55.9284 18.2357 179.2734 28 L 4.1104 8.3697 115.1540 57.1121 42.2300 180.0794 29 G 3.5809 8.3065 106.0311 47.8878 0.0000 175.4646 30 Q 3.9555 7.7702 120.3746 58.4460 28.9624 177.0788 31 H 4.7796 7.9424 115.4295 55.1654 29.1655 175.9180 32 G 3.8739 8.1409 109.0565 45.3206 0.0000 174.4912 33 V 3.5340 7.1660 118.6457 61.9086 32.4171 176.4826 34 N 4.4953 8.0810 123.0324 53.0294 37.9455 175.8061 35 I 3.9206 8.2801 127.9030 64.5163 37.2409 178.0509 36 M 4.0884 8.0226 117.3126 58.3592 31.2668 178.1198 37 E 4.1000 8.3256 119.4352 59.1825 29.6456 178.6991 38 F 4.3534 9.1556 120.7549 61.7529 39.4057 176.5891 39 C 3.9558 9.1070 118.9554 62.6017 31.0202 175.8743 40 K 4.0830 8.8099 120.1965 59.3054 31.4376 179.2309 41 R 4.0798 8.1131 119.2996 58.7702 30.1126 178.3265 42 F 4.0921 8.6629 121.0650 61.4948 38.9374 177.1755 43 N 4.2826 8.5053 115.9807 56.4591 38.2057 177.2718 44 A 3.9945 7.3579 119.3092 55.2664 18.5284 179.2529 45 E 4.0246 8.3541 116.8783 59.0852 29.7234 178.6381 46 T 4.1398 7.9516 107.8705 61.5672 68.9027 176.0847 47 A 3.9702 7.2393 124.5919 55.8015 18.3216 179.2850 48 D 4.5177 7.9333 115.9272 55.6179 39.9606 177.2444 49 K 4.4939 7.4794 117.1719 55.7990 32.3081 176.6289 50 A 4.1178 7.7435 121.6895 53.7428 18.6547 178.5459 51 G 3.9464 9.5537 108.2868 45.4392 0.0000 173.2460 52 M 4.6750 7.6772 118.2460 53.1509 36.0300 174.9698 53 I 4.1618 8.6614 124.5904 61.5781 36.3532 174.6066 54 L 4.3960 9.7713 128.3123 53.8681 43.2820 174.8068 55 P 4.9554 0.0000 0.0000 62.4273 31.3147 175.7129 56 V 4.8746 9.0303 125.1833 60.1986 34.6760 175.3264 57 V 4.5999 9.2251 121.2377 61.4737 34.6587 174.0463 58 I 4.9661 8.2849 128.3236 60.0498 39.9523 175.1673 59 T 4.9340 9.1432 122.9016 61.6784 70.9466 173.0816 60 V 4.3647 8.1446 126.6034 61.0667 33.5000 175.6635 61 Y 5.0476 9.0144 121.7713 56.4687 40.0577 176.4629 62 E 3.9801 9.5345 120.6755 59.8139 29.5569 178.7807 63 D 4.4453 8.0718 116.3332 55.1678 41.1846 177.2492 64 K 4.0415 8.3682 118.2441 55.9387 30.4633 176.2272 65 S 4.7064 7.7548 114.7215 58.5642 64.9315 172.2981 66 F 5.3801 8.9087 113.8605 57.8159 40.2836 172.2802 67 T 4.6112 8.3385 107.9852 61.5985 72.1853 172.1770 68 F 5.3919 7.6901 115.3689 56.1009 40.5422 172.9485 69 I 4.7879 9.2226 113.2740 59.2860 41.4678 174.3328 70 I 4.9363 8.1056 122.3234 59.7831 40.2433 176.4163 71 K 5.1474 9.5169 128.7910 54.4433 30.5525 174.3923 72 T 3.3568 8.2498 112.5682 60.7210 68.0400 172.8874 73 P 4.5420 0.0000 0.0000 61.9181 32.5329 175.8517 74 P 4.1267 0.0000 0.0000 63.9686 31.6432 176.1180 75 A 4.4895 7.9537 121.6149 51.5345 24.1528 178.1849 76 S 4.1550 8.2713 111.9257 62.4614 62.3188 175.7768 77 F 3.8174 8.4957 121.6239 61.5787 39.1815 176.2972 78 L 4.3734 7.9695 116.9348 56.1592 42.1224 178.9127 79 L 4.1967 8.1704 119.6097 57.0570 41.3804 179.2997 80 K 3.9248 8.0065 118.9964 59.1217 31.8647 180.7042 81 K 4.0437 7.3753 116.9120 55.9553 31.3220 176.4231 82 A 4.3811 7.6540 123.5537 52.6905 25.3167 178.6794 83 A 4.2003 7.9647 117.9826 52.9767 19.1487 177.4905 84 G 3.7609 9.0886 101.4082 45.4363 0.0000 174.3005 85 I 4.4688 6.8948 106.0124 60.2731 38.0857 176.4289 86 E 4.1457 8.4303 118.8906 57.8113 29.4955 175.0407 87 K 4.3010 7.4084 121.3902 57.1654 39.0089 174.9186 88 G 4.3853 7.8163 104.5227 43.2811 0.0000 172.1718 89 S 4.4634 7.8591 115.8398 57.3274 63.9912 174.7036 90 S 4.2385 8.6113 115.7725 61.3016 63.1867 173.4551 91 E 4.6368 8.2163 125.2572 56.0830 33.5379 173.4118 92 P 4.2033 0.0000 0.0000 63.2268 31.2213 176.8314 93 K 4.6807 7.9852 122.5638 55.8747 34.1185 176.2120 94 R 4.2064 7.7193 124.3110 56.3951 30.5834 176.3596 95 K 4.4043 8.3982 118.8465 56.2618 30.5969 177.1044 96 I 4.8194 7.4797 118.8935 59.2035 36.0134 175.5323 97 V 3.7971 8.3365 125.0521 64.2570 31.3134 176.3091 98 G 4.2993 7.7956 106.4485 44.9033 0.0000 170.7401 99 K 5.1114 8.2671 117.9822 55.9992 36.2630 174.6582 100 V 4.4752 8.6995 115.3934 60.8914 37.5715 174.2175 101 T 4.7117 8.6213 117.3898 60.9045 70.2698 174.3796 102 R 3.9035 7.9948 125.0478 59.6375 30.1384 179.1097 103 K 3.8639 8.0571 118.4532 59.5404 32.2241 178.3007 104 Q 3.9429 7.9938 119.1556 59.2652 28.9516 177.7496 105 I 3.6318 7.9115 121.1839 64.7044 37.2200 177.2917 106 E 4.0250 8.2656 119.6671 59.7680 29.2992 178.4778 107 E 3.9049 8.2282 117.9430 59.6530 29.4825 179.2089 108 I 3.6823 7.7348 119.0647 64.7882 37.0998 178.0459 109 A 4.0121 8.4275 120.3515 55.2520 18.4100 179.7119 110 K 4.0423 8.4914 116.9907 60.0080 32.0526 179.4531 111 T 3.8833 7.9925 112.1659 64.4974 67.3478 175.1111 112 K 4.4507 7.5583 118.3759 56.2868 32.5198 177.5786 113 M 3.9652 7.9245 122.4060 58.5769 31.8051 176.6884 114 P 4.3039 0.0000 0.0000 65.3514 31.5686 177.7093 115 D 4.5438 7.7344 118.1864 56.7840 41.2245 178.1999 116 L 4.1103 8.0467 116.5946 54.7509 42.3831 176.2164 117 N 3.9827 7.7325 116.4909 54.3310 37.4573 174.6171 118 A 4.2845 7.8819 120.9059 51.5670 19.2417 177.8893 119 N 4.5479 8.8758 121.6901 56.2010 39.1083 176.0031 120 S 4.6550 7.6285 110.7012 55.3010 66.1158 174.4110 121 L 3.8717 8.7607 124.1437 58.6331 41.3640 178.9947 122 E 3.8267 8.3331 116.9955 59.4871 29.6562 178.9617 123 A 4.0961 8.2395 120.4389 55.2063 18.5602 179.4461 124 A 3.9573 7.9484 118.8140 55.7000 18.3298 179.4111 125 M 4.0233 8.8327 117.6111 58.4968 31.9984 179.1878 126 K 3.9494 7.9168 118.3668 59.7208 32.1871 178.8779 127 I 3.6366 7.8657 119.3066 64.7538 36.9580 177.8384 128 I 3.8371 7.8967 119.8713 64.8330 37.0606 178.1183 129 E 4.0503 8.5084 119.2275 59.5677 29.3060 179.9796 130 G 3.5350 8.5408 105.7411 48.1717 0.0000 175.3799 131 T 3.8580 8.7047 119.1847 66.5205 68.4306 175.8391 132 A 3.9918 8.6701 122.3257 55.4660 18.4465 179.4978 133 K 3.8079 8.5915 117.0253 60.1842 32.0102 179.7804 134 S 4.2334 8.2284 113.7973 61.4757 62.7877 175.7620 135 M 4.4319 8.0010 119.1090 55.1473 31.9271 176.9326 136 G 3.8753 8.0084 107.5851 45.7385 0.0000 172.5338 137 I 5.5544 8.0654 120.4715 58.5762 38.6428 175.5868 138 E 4.5076 8.7277 124.7624 55.6486 31.9496 175.2645 139 V 4.6491 8.2243 113.5887 59.4926 34.0388 176.7672 140 V 4.4575 8.9699 118.4125 57.4165 31.3445 175.3532 141 D 4.1524 7.7588 124.0218 55.0921 41.4245 175.8604 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 4.22 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 2 A 8.68 3.75 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 3 K 9.32 4.65 0.00 1.76 1.83 0.00 1.94 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.42 7.81 4 K 8.45 4.76 0.00 1.71 1.80 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.38 7.81 5 V 8.06 3.93 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 0.68 0.00 0.00 0.98 0.00 0.00 6 A 9.14 4.51 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 7 A 7.12 4.38 1.05 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 0.00 0.00 8 Q 8.46 4.73 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 9 I 8.80 4.37 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.45 0.77 0.00 0.00 10 K 8.16 4.60 0.00 1.61 1.80 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 8.58 4.55 0.00 1.40 1.31 0.85 0.50 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 12 Q 8.70 5.02 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 13 L 9.07 4.81 0.00 0.71 1.16 0.54 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.81 0.00 2.18 2.07 0.00 3.63 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 2.27 2.15 0.00 15 A 10.00 4.20 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 16 G 9.60 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 17 K 8.41 4.61 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.56 7.81 18 A 8.27 4.27 1.24 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 0.00 0.00 19 T 8.23 4.16 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 20 P 0.00 4.24 0.00 2.22 2.19 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 21 A 8.79 4.20 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 22 P 0.00 4.11 0.00 2.03 2.14 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 23 P 0.00 3.87 0.00 2.13 1.98 0.00 3.49 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 2.11 2.10 0.00 24 V 8.48 3.59 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 1.08 0.00 0.00 0.94 0.00 0.00 25 G 8.01 3.74 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 0.00 26 P 0.00 4.21 0.00 2.13 2.09 0.00 3.81 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 2.20 2.14 0.00 27 A 7.47 3.94 1.24 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 0.00 0.00 28 L 8.37 4.11 0.00 1.68 1.61 0.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.31 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 30 Q 7.77 3.96 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.12 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 31 H 7.94 4.78 0.00 3.23 3.23 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.14 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 33 V 7.17 3.53 1.93 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 -0.07 0.00 0.00 0.86 0.00 0.00 34 N 8.08 4.50 0.00 2.70 2.79 0.00 0.00 7.49 7.76 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 35 I 8.28 3.92 1.90 0.00 0.00 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 1.83 1.19 0.98 0.00 0.00 36 M 8.02 4.09 0.00 2.25 2.37 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 2.68 2.62 0.00 37 E 8.33 4.10 0.00 2.41 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 0.00 2.51 2.46 0.00 38 F 9.16 4.35 0.00 3.72 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 39 C 9.11 3.96 0.00 3.07 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 40 K 8.81 4.08 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.70 7.81 41 R 8.11 4.08 0.00 2.24 2.35 0.00 3.42 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 42 F 8.66 4.09 0.00 1.56 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 0.00 0.00 0.00 0.00 43 N 8.51 4.28 0.00 2.87 2.87 0.00 0.00 7.11 7.44 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 44 A 7.36 3.99 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 45 E 8.35 4.02 0.00 1.79 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 2.29 2.58 0.00 46 T 7.95 4.14 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 -0.11 0.00 0.00 47 A 7.24 3.97 1.35 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 48 D 7.93 4.52 0.00 2.85 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 49 K 7.48 4.49 0.00 1.91 2.39 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.43 7.81 50 A 7.74 4.12 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 51 G 9.55 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.68 4.68 0.00 1.87 2.17 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.45 0.00 53 I 8.66 4.16 1.95 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 1.39 0.77 1.01 0.00 0.00 54 L 9.77 4.40 0.00 2.19 1.84 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.96 0.00 2.10 2.05 0.00 3.59 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 56 V 9.03 4.87 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 0.63 0.00 0.00 1.40 0.00 0.00 57 V 9.23 4.60 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 1.03 0.00 0.00 0.95 0.00 0.00 58 I 8.28 4.97 1.95 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 1.12 0.00 0.00 59 T 9.14 4.93 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 0.85 0.00 0.00 60 V 8.14 4.36 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 0.68 0.00 0.00 0.98 0.00 0.00 61 Y 9.01 5.05 0.00 2.97 3.07 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 62 E 9.53 3.98 0.00 1.99 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 0.00 2.56 2.52 0.00 63 D 8.07 4.45 0.00 2.81 2.75 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 0.00 0.00 0.00 64 K 8.37 4.04 0.00 1.87 2.12 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.47 7.81 65 S 7.75 4.71 0.00 4.10 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 66 F 8.91 5.38 0.00 3.16 2.98 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 67 T 8.34 4.61 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 1.31 0.00 0.00 68 F 7.69 5.39 0.00 3.21 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 69 I 9.22 4.79 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 0.90 0.00 0.00 70 I 8.11 4.94 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.80 1.08 0.00 0.00 71 K 9.52 5.15 0.00 1.67 1.76 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.27 7.81 72 T 8.25 3.36 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 0.92 0.00 0.00 73 P 0.00 4.54 0.00 2.24 2.13 0.00 3.46 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 74 P 0.00 4.13 0.00 2.10 2.12 0.00 3.73 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 2.05 2.15 0.00 75 A 7.95 4.49 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 76 S 8.27 4.16 0.00 4.10 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 77 F 8.50 3.82 0.00 3.03 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 78 L 7.97 4.37 0.00 1.80 1.76 1.17 0.82 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 79 L 8.17 4.20 0.00 1.91 1.73 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.01 3.92 0.00 1.81 1.78 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.78 1.48 7.81 81 K 7.38 4.04 0.00 1.73 1.96 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 82 A 7.65 4.38 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 83 A 7.96 4.20 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 84 G 9.09 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 85 I 6.89 4.47 1.86 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 1.29 0.43 0.90 0.00 0.00 86 E 8.43 4.15 0.00 1.91 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 2.22 0.00 87 K 7.41 4.30 0.00 1.71 1.71 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.43 7.81 88 G 7.82 4.39 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 0.00 89 S 7.86 4.46 0.00 3.99 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 90 S 8.61 4.24 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 E 8.22 4.64 0.00 1.86 1.92 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 2.06 2.24 0.00 92 P 0.00 4.20 0.00 2.09 2.06 0.00 4.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 93 K 7.99 4.68 0.00 1.69 1.70 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.60 7.81 94 R 7.72 4.21 0.00 1.77 1.91 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 95 K 8.40 4.40 0.00 1.93 2.09 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.50 7.81 96 I 7.48 4.82 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 1.10 0.91 0.98 0.00 0.00 97 V 8.34 3.80 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 0.68 0.00 0.00 0.93 0.00 0.00 98 G 7.80 4.30 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 0.00 99 K 8.27 5.11 0.00 1.91 1.89 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.54 7.81 100 V 8.70 4.48 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 0.83 0.00 0.00 0.94 0.00 0.00 101 T 8.62 4.71 4.39 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 1.21 0.00 0.00 102 R 7.99 3.90 0.00 2.14 2.00 0.00 3.45 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 103 K 8.06 3.86 0.00 1.78 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.45 7.81 104 Q 7.99 3.94 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 105 I 7.91 3.63 2.06 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 1.60 1.01 0.94 0.00 0.00 106 E 8.27 4.03 0.00 2.19 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 2.32 2.38 0.00 107 E 8.23 3.90 0.00 2.16 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 2.58 2.52 0.00 108 I 7.73 3.68 2.03 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 1.77 1.54 0.95 0.00 0.00 109 A 8.43 4.01 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 0.00 0.00 110 K 8.49 4.04 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.71 7.81 111 T 7.99 3.88 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 1.30 0.00 0.00 112 K 7.56 4.45 0.00 1.76 1.91 0.00 1.96 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.55 7.81 113 M 7.92 3.97 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 114 P 0.00 4.30 0.00 2.24 2.15 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 115 D 7.73 4.54 0.00 2.88 2.71 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 0.00 116 L 8.05 4.11 0.00 1.66 1.72 1.02 0.99 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 0.00 117 N 7.73 3.98 0.00 2.76 2.84 0.00 0.00 7.10 7.96 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 0.00 118 A 7.88 4.28 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 0.00 119 N 8.88 4.55 0.00 2.70 2.89 0.00 0.00 6.95 7.57 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 0.00 120 S 7.63 4.65 0.00 3.94 3.89 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 0.00 121 L 8.76 3.87 0.00 1.77 1.72 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.33 3.83 0.00 1.97 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 0.00 2.32 2.40 0.00 123 A 8.24 4.10 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 0.00 124 A 7.95 3.96 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 0.00 125 M 8.83 4.02 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 126 K 7.92 3.95 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.63 7.81 127 I 7.87 3.64 2.06 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 1.64 1.13 0.96 0.00 0.00 128 I 7.90 3.84 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.33 0.98 0.00 0.00 129 E 8.51 4.05 0.00 2.24 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 2.34 2.35 0.00 130 G 8.54 3.53 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 0.00 0.00 0.00 131 T 8.70 3.86 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 1.26 0.00 0.00 132 A 8.67 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.81 0.00 1.97 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.72 7.81 134 S 8.23 4.23 0.00 3.95 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 0.00 135 M 8.00 4.43 0.00 1.99 2.20 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 2.81 2.56 0.00 136 G 8.01 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 0.00 137 I 8.07 5.55 1.92 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 0.99 1.23 0.95 0.00 0.00 138 E 8.73 4.51 0.00 2.04 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 2.32 2.33 0.00 139 V 8.22 4.65 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 0.75 0.00 0.00 0.98 0.00 0.00 140 V 8.97 4.46 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 0.73 0.00 0.00 0.98 0.00 0.00 141 D 7.76 4.15 0.00 2.67 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