NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4792 8.1776 115.4126 57.8187 64.6108 174.5214 3 V 3.3120 7.9561 121.5772 64.5627 30.7434 176.9370 4 Y 4.0112 8.3558 118.4468 60.9517 38.0067 178.8764 5 D 4.3839 7.9007 118.6765 57.1480 41.3751 178.3392 6 A 4.0664 8.1089 121.2239 55.0339 18.4455 179.5809 7 A 3.8768 8.0961 119.0946 54.9382 18.2103 179.4030 8 A 4.1128 7.4237 117.7380 54.3484 18.5475 178.8797 9 Q 4.2953 7.5678 114.7650 56.1347 30.0271 176.9887 10 L 4.2387 7.3141 121.5795 53.5857 40.2687 176.9796 11 T 4.1844 7.6755 114.6706 60.3291 71.4660 175.0259 12 A 3.9460 8.4700 122.1537 55.8460 18.1823 179.6431 13 D 4.3270 7.9970 116.5261 57.1787 40.9271 179.0973 14 V 3.4871 7.3054 118.6676 65.8653 31.5785 178.2022 15 K 3.8307 8.1530 118.4244 59.2462 31.7894 179.1993 16 K 3.9467 8.0289 119.7875 59.7908 32.1908 178.6569 17 D 4.5798 8.2952 119.1112 57.2162 40.5482 178.8744 18 L 3.7618 7.8944 119.7132 57.6991 41.5613 179.7254 19 R 4.0367 8.0611 117.9285 59.4576 28.7915 178.8061 20 D 4.4936 8.5188 119.2007 57.5049 40.7836 179.1246 21 S 3.1872 8.1865 114.7103 60.6990 63.0823 176.3146 22 W 4.2761 8.7509 132.2284 59.9747 30.2049 177.5264 23 K 3.7219 8.0679 119.1548 59.3790 31.8629 178.2944 24 V 3.8203 6.9840 115.0793 65.4780 31.7537 178.1115 25 I 3.6793 7.0534 119.0943 63.6813 36.9891 178.0799 26 G 2.2302 7.1365 106.7977 45.5880 0.0000 174.5593 27 S 4.0933 7.1849 114.6582 60.0118 63.5547 174.1390 28 D 4.7199 7.1707 119.1791 51.1918 40.8484 175.6628 29 K 3.8189 7.8835 122.9485 58.5796 32.4361 178.5004 30 K 3.9759 7.9442 119.6222 59.3832 32.3472 179.0303 31 G 3.6245 8.0234 106.7198 47.5764 0.0000 175.3324 32 N 4.4726 8.2611 119.6351 55.3549 38.6065 177.9859 33 G 3.5995 7.9539 107.5425 47.7944 0.0000 176.0700 34 V 3.5996 7.8685 120.7480 65.3927 31.5205 177.9539 35 A 3.9851 7.9258 122.0462 54.3109 18.3152 179.2563 36 L 3.7439 7.9331 118.8635 58.6437 42.1842 179.2545 37 M 3.5601 7.6981 118.3383 58.3730 31.3444 178.9029 38 T 3.9735 8.0581 110.2757 65.1743 68.7811 176.7360 39 T 3.8947 7.8600 118.5834 65.9883 68.3070 176.5175 40 L 3.7964 7.3888 122.0381 58.2717 42.1182 179.2063 41 F 4.5105 7.6674 117.2701 60.1558 38.5123 177.7101 42 A 4.1540 7.7349 120.1089 55.2236 18.4818 179.0118 43 D 4.6093 8.1895 115.7878 55.5549 42.6542 176.8252 44 N 5.3234 8.2591 115.9179 49.1417 39.1749 174.6881 45 Q 4.3113 8.4874 121.9161 58.2053 29.0968 178.4226 46 E 4.0871 8.3437 118.2395 59.3450 29.5552 178.6712 47 T 4.4737 8.3689 109.9335 63.6394 69.1077 176.6104 48 I 3.8538 7.9720 123.8662 64.5281 36.8452 178.0252 49 G 3.6781 8.1475 105.1811 48.2395 0.0000 174.7248 50 Y 4.3102 7.7110 116.7115 59.4362 38.1521 176.3966 51 F 4.9728 8.3981 119.7830 56.6925 40.0817 178.0874 52 K 3.8773 8.3811 122.5370 59.7057 32.0927 179.4111 53 R 3.9640 8.0563 117.3341 59.2628 30.0492 177.4794 54 L 4.1375 7.8355 116.9277 55.7638 42.5523 179.1103 55 G 3.8193 7.8301 106.0034 45.9447 0.0000 176.0463 56 D 4.4700 8.3663 118.6814 53.6115 40.2275 176.7929 57 V 3.6256 8.0134 126.3532 65.1412 31.4425 176.8455 58 S 4.3580 7.8216 112.0299 60.3192 63.1794 175.7626 59 Q 4.1197 8.1665 121.7445 56.4406 28.7737 177.1679 60 G 3.8619 8.4474 108.9166 46.2209 0.0000 176.3087 61 M 3.8567 9.0550 121.9983 58.4168 31.8969 177.1540 62 A 4.0113 7.5957 120.3114 53.9752 18.8514 177.2643 63 N 4.5980 8.2645 115.5338 52.7788 39.3298 175.0471 64 D 4.3825 8.6909 129.1680 57.5782 41.0250 179.0146 65 K 4.0298 8.1133 118.4392 59.2099 32.0539 179.0970 66 L 4.0193 8.4773 120.8316 58.1112 42.0842 178.9398 67 R 3.9980 8.4301 119.1970 59.3788 30.1193 178.6912 68 G 3.6607 8.4547 105.8521 48.0473 0.0000 175.1454 69 H 4.2357 8.4589 120.8263 59.1131 29.9023 177.4988 70 S 4.0478 8.4339 117.2757 61.6922 62.4446 176.8272 71 I 3.7720 7.6342 121.1711 64.7821 37.0414 178.3419 72 T 4.1738 7.9382 116.3674 66.5324 68.3675 176.4419 73 L 3.9548 8.2240 122.6084 58.5014 42.1067 179.0353 74 M 4.2204 7.9674 118.1185 58.3673 31.8653 178.0656 75 Y 4.0609 7.8542 116.2007 60.0774 38.0533 177.7563 76 A 3.8271 7.7367 121.9917 54.8117 18.3912 179.6374 77 L 3.5560 7.5053 117.1059 57.5488 41.6886 179.2094 78 Q 3.4613 7.7164 119.5979 58.8911 28.7659 177.6850 79 N 4.2491 7.6767 116.8082 56.8671 39.3603 176.2654 80 F 4.5845 7.8305 118.8690 60.9236 39.1453 177.7536 81 I 3.5273 7.6965 119.3158 64.5344 36.6448 178.2594 82 D 4.4990 8.0843 118.0840 56.4567 41.0372 177.6840 83 Q 4.4328 7.7088 117.1948 55.8340 28.8393 177.2491 84 L 3.9764 7.5516 120.9129 57.8696 41.6364 178.2527 85 D 4.3309 8.0766 117.6916 56.0753 41.2055 175.8664 86 N 4.8092 7.9423 116.8336 50.7456 40.6730 172.5849 87 P 4.1942 0.0000 0.0000 65.9467 31.4315 178.2910 88 D 4.3831 8.1612 117.0442 57.4427 40.7978 178.5847 89 D 4.3808 8.1691 119.0161 56.9235 40.9847 178.3046 90 L 3.8531 8.0258 121.0120 58.1303 42.0214 179.1652 91 V 3.3848 7.8877 118.5547 66.1406 31.5420 177.7994 92 C 4.1197 7.9062 113.7082 61.2696 29.4340 176.1554 93 V 3.8105 7.7897 114.6568 63.7355 31.2198 178.7544 94 V 3.4518 7.7718 118.2931 66.0392 31.2412 178.0188 95 E 3.9170 8.3283 118.5758 59.0131 28.9738 179.2793 96 K 3.9472 7.6969 118.6790 59.4626 32.3090 178.3227 97 L 4.1695 8.0883 120.4439 58.1360 41.9868 178.7339 98 A 4.0961 8.2033 120.7919 54.9465 18.1992 179.2127 99 V 3.4874 7.5329 116.8995 67.0180 31.5920 178.1776 100 N 4.4131 8.1038 115.1021 56.4629 38.3783 177.1246 101 H 4.2276 7.8335 118.1461 58.6047 28.6752 177.8675 102 I 3.7108 8.2335 122.3032 64.6239 36.7036 178.4547 103 T 3.8830 7.7026 115.6053 66.5992 68.3787 175.9902 104 R 4.2014 7.6064 116.3869 55.3530 30.5802 176.3387 105 K 3.8408 8.0035 117.5256 57.4346 29.9817 175.9392 106 I 3.9898 7.8752 120.3149 60.1341 37.7613 177.3596 107 S 4.5064 8.4011 120.7825 57.3163 65.5298 174.8356 108 A 3.9621 8.4656 123.2742 55.3528 17.8394 179.7551 109 A 4.0035 7.9228 117.8279 55.1673 18.8233 179.0575 110 E 4.0838 8.1719 117.8250 59.4557 29.7728 178.7867 111 F 4.1144 8.6899 121.1923 61.1640 39.5223 177.0322 112 G 3.8942 8.4942 104.6462 46.7530 0.0000 175.0902 113 K 4.2383 7.9309 120.4596 58.2348 32.0964 178.3465 114 I 3.4692 7.6671 119.2295 62.9736 37.7826 177.2070 115 N 4.4780 8.1584 117.9015 56.3640 38.3447 177.1934 116 G 3.6227 7.6054 106.7371 47.5270 0.0000 173.8413 117 P 4.2213 0.0000 0.0000 65.0313 31.2747 178.7842 118 I 3.4930 7.7363 118.4944 64.1418 37.0314 178.2623 119 K 3.8977 8.2321 120.6405 59.6597 32.0933 178.9888 120 K 4.0150 8.1214 118.6560 59.3334 31.7129 179.6361 121 V 3.5580 7.7761 118.0447 65.7532 31.6847 177.7993 122 L 4.1218 8.1081 118.7578 57.8337 41.5116 179.3079 123 A 4.1748 8.1677 120.9095 55.1836 18.1013 179.6888 124 S 4.2263 7.9589 111.2142 60.3220 62.9442 175.2572 125 K 4.3906 7.6733 121.1183 55.8979 32.1566 175.4032 126 N 4.0628 8.0589 115.1042 54.6173 37.5305 173.7178 127 F 4.5774 8.1687 115.1563 55.1904 40.6878 176.5612 128 G 4.1350 8.6395 115.6448 44.2404 0.0000 172.2937 129 D 4.5008 8.9223 118.7373 57.5425 40.6592 178.4505 130 K 3.7792 8.2001 119.4260 60.0153 32.0377 178.2239 131 Y 4.1377 8.0657 115.9448 60.9403 38.0086 177.6523 132 A 4.2135 8.3720 121.8055 55.4561 18.3177 179.4973 133 N 4.3893 8.8541 115.2269 56.2088 38.2178 177.5839 134 A 3.9446 7.8084 122.4403 55.0466 18.5071 179.8131 135 W 3.8863 8.6110 117.2425 59.5926 29.0828 178.6756 136 A 4.1506 8.1691 121.0502 55.0358 17.5366 179.8409 137 K 3.9818 7.6089 116.5186 59.2749 32.3985 179.0904 138 L 3.9569 7.5154 120.4778 58.0862 42.0064 179.1667 139 V 3.8060 8.1306 118.0386 65.9760 31.4414 177.8447 140 A 4.4714 8.0297 121.8723 54.3789 17.8876 179.7790 141 V 3.4098 7.2951 116.4699 66.0144 31.7381 178.1548 142 V 3.4657 7.4901 117.5719 65.9154 31.3545 177.7910 143 Q 3.7898 8.1439 117.6259 58.9020 28.3019 178.7273 144 A 4.0334 7.8618 120.3036 53.9044 18.4788 178.3549 145 A 4.3303 7.6455 117.5062 52.0401 19.5926 177.0195 146 L 4.0999 7.3777 122.5194 54.6951 41.8425 176.5258 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 2 S 8.18 4.48 0.00 4.16 4.12 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 3 V 7.96 3.31 1.81 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 -0.03 0.00 0.00 0.67 0.00 0.00 4 Y 8.36 4.01 0.00 3.04 3.04 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 5 D 7.90 4.38 0.00 2.74 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 6 A 8.11 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 7 A 8.10 3.88 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 8 A 7.42 4.11 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 9 Q 7.57 4.30 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.20 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 10 L 7.31 4.24 0.00 1.67 1.53 0.77 0.66 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 11 T 7.68 4.18 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 1.18 0.00 0.00 12 A 8.47 3.95 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 13 D 8.00 4.33 0.00 2.66 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 14 V 7.31 3.49 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.15 3.83 0.00 1.94 1.79 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 16 K 8.03 3.95 0.00 1.96 1.97 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.47 1.70 7.81 17 D 8.30 4.58 0.00 2.78 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 18 L 7.89 3.76 0.00 1.69 1.26 0.55 -0.58 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 19 R 8.06 4.04 0.00 2.08 2.05 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 20 D 8.52 4.49 0.00 2.93 2.92 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 21 S 8.19 3.19 0.00 3.41 3.23 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 22 W 8.75 4.28 0.00 3.82 3.41 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 23 K 8.07 3.72 0.00 1.96 2.16 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 24 V 6.98 3.82 2.31 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 1.06 0.00 0.00 1.09 0.00 0.00 25 I 7.05 3.68 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.08 0.58 0.00 0.00 26 G 7.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.18 4.09 0.00 3.92 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 28 D 7.17 4.72 0.00 2.67 2.40 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 29 K 7.88 3.82 0.00 1.72 1.68 0.00 1.26 0.00 0.00 0.65 0.00 0.00 2.30 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.37 7.81 30 K 7.94 3.98 0.00 1.82 1.77 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 8.02 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.26 4.47 0.00 2.76 2.73 0.00 0.00 6.99 7.49 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 33 G 7.95 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 34 V 7.87 3.60 2.11 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 1.08 0.00 0.00 0.95 0.00 0.00 35 A 7.93 3.99 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 36 L 7.93 3.74 0.00 1.87 1.72 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.70 3.56 0.00 1.76 1.95 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 38 T 8.06 3.97 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 1.30 0.00 0.00 39 T 7.86 3.89 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 1.18 0.00 0.00 40 L 7.39 3.80 0.00 1.49 1.21 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.67 4.51 0.00 3.10 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 42 A 7.73 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.19 4.61 0.00 2.71 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 44 N 8.26 5.32 0.00 2.95 2.90 0.00 0.00 7.06 8.38 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 45 Q 8.49 4.31 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.27 0.00 46 E 8.34 4.09 0.00 2.19 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 2.48 2.40 0.00 47 T 8.37 4.47 4.71 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 1.45 0.00 0.00 48 I 7.97 3.85 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.87 0.72 0.00 0.00 49 G 8.15 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 50 Y 7.71 4.31 0.00 2.81 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 51 F 8.40 4.97 0.00 3.07 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 52 K 8.38 3.88 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.71 7.81 53 R 8.06 3.96 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 54 L 7.84 4.14 0.00 2.00 1.74 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.83 3.82 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 0.00 0.00 0.00 56 D 8.37 4.47 0.00 2.78 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 57 V 8.01 3.63 1.69 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 0.76 0.00 0.00 0.34 0.00 0.00 58 S 7.82 4.36 0.00 4.06 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 59 Q 8.17 4.12 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.88 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 60 G 8.45 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 61 M 9.06 3.86 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.60 4.01 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 63 N 8.26 4.60 0.00 2.77 2.87 0.00 0.00 7.02 9.26 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 64 D 8.69 4.38 0.00 2.74 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 65 K 8.11 4.03 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 66 L 8.48 4.02 0.00 1.80 1.85 1.07 0.82 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 67 R 8.43 4.00 0.00 2.05 2.06 0.00 3.16 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.45 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.46 4.24 0.00 3.38 3.57 0.00 5.79 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 70 S 8.43 4.05 0.00 4.01 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 71 I 7.63 3.77 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 1.14 0.00 0.00 72 T 7.94 4.17 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 1.26 0.00 0.00 73 L 8.22 3.95 0.00 1.65 1.78 0.88 1.17 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 74 M 7.97 4.22 0.00 2.05 2.16 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 2.79 2.89 0.00 75 Y 7.85 4.06 0.00 3.15 3.04 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 76 A 7.74 3.83 1.14 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 0.00 0.00 0.00 77 L 7.51 3.56 0.00 1.55 1.25 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.72 3.46 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 79 N 7.68 4.25 0.00 2.85 2.83 0.00 0.00 7.29 6.35 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 80 F 7.83 4.58 0.00 3.04 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 81 I 7.70 3.53 1.57 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.13 0.83 0.00 0.00 82 D 8.08 4.50 0.00 2.82 2.76 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 83 Q 7.71 4.43 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 84 L 7.55 3.98 0.00 1.58 1.67 0.77 0.82 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 85 D 8.08 4.33 0.00 2.66 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 86 N 7.94 4.81 0.00 2.74 2.66 0.00 0.00 7.10 7.08 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 87 P 0.00 4.19 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 88 D 8.16 4.38 0.00 2.89 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 89 D 8.17 4.38 0.00 2.82 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 90 L 8.03 3.85 0.00 1.85 1.72 0.71 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.89 3.38 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 0.70 0.00 0.00 0.75 0.00 0.00 92 C 7.91 4.12 0.00 3.18 3.18 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 93 V 7.79 3.81 2.27 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 0.88 0.00 0.00 1.15 0.00 0.00 94 V 7.77 3.45 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 0.79 0.00 0.00 0.19 0.00 0.00 95 E 8.33 3.92 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 2.19 2.32 0.00 96 K 7.70 3.95 0.00 1.84 2.14 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.54 7.81 97 L 8.09 4.17 0.00 2.07 2.01 1.04 1.33 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 98 A 8.20 4.10 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 99 V 7.53 3.49 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 1.03 0.00 0.00 1.01 0.00 0.00 100 N 8.10 4.41 0.00 2.76 2.81 0.00 0.00 6.98 8.16 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 0.00 101 H 7.83 4.23 0.00 3.43 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.23 3.71 2.02 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 1.49 0.86 0.90 0.00 0.00 103 T 7.70 3.88 4.41 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 1.21 0.00 0.00 104 R 7.61 4.20 0.00 1.85 1.90 0.00 3.16 0.00 0.00 3.09 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 105 K 8.00 3.84 0.00 1.96 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 106 I 7.88 3.99 1.97 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 1.30 0.66 0.94 0.00 0.00 107 S 8.40 4.51 0.00 4.07 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 0.00 108 A 8.47 3.96 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 0.00 109 A 7.92 4.00 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 0.00 110 E 8.17 4.08 0.00 2.19 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 0.00 2.18 2.42 0.00 111 F 8.69 4.11 0.00 3.27 3.17 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 0.00 0.00 0.00 112 G 8.49 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 0.00 0.00 0.00 113 K 7.93 4.24 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.75 7.81 114 I 7.67 3.47 1.62 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 0.76 0.00 0.00 115 N 8.16 4.48 0.00 2.98 2.89 0.00 0.00 6.70 7.58 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 0.00 116 G 7.61 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.22 0.00 2.16 2.15 0.00 3.66 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 2.00 2.10 0.00 118 I 7.74 3.49 1.96 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 1.20 0.73 0.61 0.00 0.00 119 K 8.23 3.90 0.00 1.92 2.02 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 120 K 8.12 4.01 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 121 V 7.78 3.56 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 0.70 0.00 0.00 0.88 0.00 0.00 122 L 8.11 4.12 0.00 1.97 1.97 0.95 0.54 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 0.00 123 A 8.17 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.96 4.23 0.00 4.05 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 0.00 125 K 7.67 4.39 0.00 1.98 1.98 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.38 7.81 126 N 8.06 4.06 0.00 2.68 2.54 0.00 0.00 6.92 6.64 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 0.00 127 F 8.17 4.58 0.00 3.07 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 0.00 128 G 8.64 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 0.00 0.00 0.00 0.00 129 D 8.92 4.50 0.00 2.82 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 0.00 130 K 8.20 3.78 0.00 1.74 1.65 0.00 1.58 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.99 1.36 7.81 131 Y 8.07 4.14 0.00 3.43 3.20 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 0.00 132 A 8.37 4.21 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 0.00 133 N 8.85 4.39 0.00 2.96 2.89 0.00 0.00 6.88 6.76 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 0.00 134 A 7.81 3.94 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 0.00 135 W 8.61 3.89 0.00 3.61 3.37 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 0.00 136 A 8.17 4.15 1.47 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 0.00 0.00 137 K 7.61 3.98 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 138 L 7.52 3.96 0.00 1.48 1.74 0.67 0.50 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 0.00 139 V 8.13 3.81 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 1.21 0.00 0.00 1.18 0.00 0.00 140 A 8.03 4.47 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 0.00 141 V 7.30 3.41 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 0.57 0.00 0.00 0.82 0.00 0.00 142 V 7.49 3.47 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 0.29 0.00 0.00 0.87 0.00 0.00 143 Q 8.14 3.79 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 144 A 7.86 4.03 1.31 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 0.00 145 A 7.65 4.33 1.16 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 0.00 0.00 146 L 7.38 4.10 0.00 1.62 1.50 0.52 1.09 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