NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3513 8.1233 123.5800 52.4296 20.4583 178.5765 3 S 3.6586 7.4346 111.6370 60.6480 62.8787 174.8406 4 K 3.8956 8.2319 120.6896 59.9655 32.2887 178.8344 5 R 3.9444 7.5023 118.9092 59.4600 29.7322 178.7797 6 I 3.4810 7.4267 118.5368 64.7762 37.4247 177.5342 7 H 4.2249 8.0163 116.4246 58.7314 28.5467 177.0953 8 K 3.8293 8.0818 120.4637 60.0783 31.8694 178.4375 9 E 4.0879 7.8372 117.5263 58.8547 29.7447 178.4074 10 L 4.2811 8.5620 121.0386 58.4447 42.3473 178.7189 11 N 4.3700 8.1986 115.8155 56.3679 38.4442 176.9562 12 D 4.4889 8.3197 120.1657 56.9092 40.5768 178.5836 13 L 4.1168 8.1079 119.7233 57.3726 41.5552 179.0026 14 A 4.0270 7.6971 119.2704 54.4113 18.2863 179.2610 15 R 4.4761 7.8374 115.6860 57.3150 31.7311 176.7785 16 D 4.6303 7.4017 118.0378 51.1806 39.9744 173.1434 17 P 4.5946 0.0000 0.0000 61.5834 32.4227 174.4077 18 P 4.4965 0.0000 0.0000 61.5090 31.6903 175.5919 19 A 4.0413 8.4998 126.3629 54.0357 18.7599 177.3854 20 Q 4.0237 10.2093 119.3824 55.9777 26.7190 172.7255 21 C 5.9415 8.0440 111.9986 57.3849 32.7405 173.6405 22 S 4.9710 8.1499 115.3743 56.7756 66.2827 172.8457 23 A 4.7940 8.4308 118.8943 51.5592 21.9179 175.7098 24 G 3.4738 8.3148 108.4559 44.1335 0.0000 170.6358 25 P 4.8809 0.0000 0.0000 62.4764 32.0825 175.8614 26 V 4.1709 7.7818 121.7772 62.3717 33.9152 177.1370 27 G 3.8761 8.4992 114.7465 45.0015 0.0000 172.3829 28 D 4.4397 8.6684 117.0485 56.5397 41.3464 177.0009 29 D 4.3771 7.9867 116.5197 55.4705 41.2765 176.0653 30 M 4.4961 8.7230 124.1368 55.6253 32.6571 176.1642 31 F 4.7173 9.9567 118.2199 57.4383 40.5908 174.9572 32 H 5.3710 8.3899 116.3870 54.3067 31.7705 172.5438 33 W 5.3485 9.5010 124.2873 55.0407 32.7429 175.0357 34 Q 5.0500 9.1309 117.6850 54.8688 31.4586 173.9771 35 A 5.4615 9.4247 123.7496 50.2973 23.2142 174.7362 36 T 5.2369 8.9456 108.9195 60.1006 72.2453 173.1500 37 I 5.1892 8.8968 124.1730 60.0139 41.5239 173.9597 38 M 4.8186 8.9006 126.4193 53.4220 33.5488 176.0627 39 G 4.6617 8.5939 110.0883 45.5443 0.0000 171.4632 40 P 4.4386 0.0000 0.0000 62.7882 31.9914 176.1046 41 N 4.4389 8.7404 119.4970 54.7807 39.0394 174.5044 42 D 4.4548 9.1430 121.4537 55.8303 39.1649 173.5177 43 S 4.8946 7.6805 111.2589 55.3539 66.4493 172.8175 44 P 4.2658 0.0000 0.0000 65.0723 31.1925 176.8936 45 Y 5.0363 7.5488 116.7678 57.1930 38.2321 174.9463 46 Q 4.2407 7.8760 122.2349 57.6139 29.5648 177.2742 47 G 4.1167 9.0911 113.5020 45.7361 0.0000 173.9202 48 G 3.7556 7.6801 106.1507 46.0275 0.0000 173.3135 49 V 4.7172 7.5893 119.7331 61.5780 34.0403 174.0837 50 F 4.5448 9.4141 127.4553 55.9630 41.6448 174.9392 51 F 5.6404 9.0074 120.4894 56.0262 41.7184 174.8340 52 L 5.2785 9.7151 122.6586 53.1393 46.2005 175.3875 53 T 4.8508 8.8461 111.6804 60.2183 71.7616 173.6662 54 I 4.6632 8.7976 124.3949 59.9112 40.1910 173.0817 55 H 5.1415 8.9088 127.9503 54.7128 31.3347 173.5759 56 F 4.6478 8.9223 125.8787 55.3157 39.8069 174.5880 57 P 4.3909 0.0000 0.0000 62.3634 31.9714 177.2211 58 T 4.0046 8.2254 108.6248 63.4897 68.9479 174.4219 59 D 4.7962 7.8521 121.9172 54.3067 41.2173 175.2782 60 Y 4.5901 7.8378 121.1775 57.0702 39.2589 173.2880 61 P 3.7776 0.0000 0.0000 62.2875 31.5033 176.7810 62 F 4.8020 7.7009 119.5262 60.0372 39.0927 175.5236 63 K 4.7525 7.7692 119.2365 53.3230 34.6901 174.3535 64 P 2.9700 0.0000 0.0000 61.1039 31.8571 174.2507 65 P 4.0674 0.0000 0.0000 62.4332 32.5354 175.6964 66 K 4.1687 8.4801 122.0454 55.6695 33.2538 175.8517 67 V 4.8330 8.2544 124.9226 60.9837 33.7162 174.4297 68 A 5.0297 8.7264 128.0384 50.4173 23.3848 174.6580 69 F 4.6882 9.2315 119.3732 57.2738 39.8922 176.8623 70 T 4.3591 9.0716 113.8147 63.4157 70.4015 175.4274 71 T 4.3511 8.0649 119.0117 62.4315 69.2390 175.3538 72 R 3.9341 8.7056 125.5346 56.9134 30.5448 175.8839 73 I 4.9819 8.3043 120.9523 59.7619 41.0296 174.0050 74 Y 3.8923 8.8106 128.4791 56.1540 37.6629 173.7546 75 H 4.9752 7.6325 124.5213 53.5324 33.5721 171.5817 76 P 4.2796 0.0000 0.0000 64.5996 31.6239 177.8172 77 N 5.0190 8.3602 113.9911 52.5551 38.9259 173.6447 78 I 4.8718 7.5376 118.3188 58.3551 40.2931 174.9391 79 N 4.8130 8.2998 124.5140 51.4180 39.8020 175.3967 80 S 4.2200 8.5881 111.5228 61.8365 63.1707 175.2306 81 N 4.3761 8.2043 117.2811 54.5662 38.6918 175.9372 82 G 4.6437 8.1019 105.4724 46.3242 0.0000 173.0932 83 S 4.3787 8.3598 117.1624 58.3106 63.1149 173.3165 84 I 4.3732 8.2253 126.5455 60.0852 38.0636 176.5735 85 S 4.4451 8.4043 122.2940 56.3181 60.3862 171.7451 86 L 4.8131 7.5551 125.3664 52.2326 45.1438 176.9445 87 D 4.3808 8.7647 125.3152 56.5377 39.6396 178.0499 88 I 4.1010 7.8296 108.9810 61.4830 37.2738 175.9670 89 L 4.6072 7.5217 119.2980 55.0712 42.1727 176.7820 90 R 4.5435 7.8025 115.5872 57.2418 33.0774 176.2104 91 S 4.3142 8.4362 119.7451 60.9357 64.1340 175.6037 92 Q 4.4380 7.9125 117.2605 55.0775 29.3963 175.5326 93 W 4.5401 8.0947 128.0191 57.9040 31.4994 174.8503 94 S 4.2140 6.6580 116.8340 55.5945 64.8300 172.9587 95 P 4.1038 0.0000 0.0000 65.6863 30.9370 177.3778 96 A 3.9787 7.2537 121.5785 54.5971 18.4535 178.2030 97 L 3.8509 6.9796 114.8143 55.2783 42.2268 176.9553 98 K 4.9724 8.3086 120.9157 55.0791 35.2825 177.1930 99 I 3.8216 10.1032 123.2757 64.9705 36.9683 178.7486 100 S 4.1746 8.2819 115.4823 61.9331 62.6178 176.9897 101 K 4.0246 7.9920 121.5574 58.9614 31.6383 178.7190 102 V 3.8535 7.9922 118.2990 65.2274 31.9962 177.7363 103 L 4.1661 7.8405 118.4045 57.8438 41.6829 179.1624 104 L 4.0631 8.2964 119.2685 58.0496 41.6852 179.8048 105 S 4.2135 7.9868 114.9090 61.6706 62.4803 176.8234 106 I 3.8955 7.4796 121.4533 64.0799 37.0987 177.9829 107 C 4.3365 7.9336 117.4845 62.8125 28.0746 175.6533 108 S 4.1409 7.9608 116.7505 61.9287 62.3126 176.7989 109 L 4.0258 7.5968 120.5172 58.0194 41.7462 178.7797 110 L 4.1667 7.7062 118.8138 57.5810 41.6952 178.4870 111 C 4.7272 8.0962 112.1741 59.0253 31.2667 173.5030 112 D 4.6956 7.8771 120.2678 51.0276 41.1531 172.9633 113 P 4.4076 0.0000 0.0000 62.6226 32.6952 176.2797 114 N 4.9522 8.1776 114.1648 51.0311 38.1976 172.9607 115 P 4.3856 0.0000 0.0000 64.4097 31.8346 177.4404 116 D 4.7238 7.8976 117.4026 54.8444 42.3925 176.0892 117 D 4.9184 7.6399 117.6506 51.9527 40.8879 173.3545 118 P 4.5806 0.0000 0.0000 62.0212 33.2268 176.4081 119 L 4.2794 8.2714 119.8069 55.1888 43.7237 176.0258 120 V 4.1957 7.6986 118.9191 59.8737 32.3250 173.9312 121 P 4.2037 0.0000 0.0000 66.1205 30.6564 177.7435 122 E 3.9561 8.2403 118.6393 59.1479 29.3308 179.5633 123 I 3.7137 7.6411 118.6890 64.0222 37.0155 178.0805 124 A 3.9495 7.7805 121.2234 55.3688 18.2300 179.5498 125 R 3.8573 8.0158 117.0401 59.6421 30.1387 178.8515 126 I 3.7421 7.4786 119.0129 64.5930 37.0907 177.6561 127 Y 3.9703 8.1488 118.1194 59.2753 38.4801 177.1551 128 K 4.1675 7.4187 118.3386 58.7837 33.2515 178.1965 129 T 4.1660 8.0435 108.7651 63.4258 70.9262 175.4794 130 D 4.7891 7.5786 122.9570 51.2464 40.1487 176.4222 131 R 3.7263 7.7860 123.4918 60.0486 30.4653 176.9937 132 E 3.9612 8.2501 117.3497 59.4353 29.3151 178.8204 133 K 3.9744 8.3185 120.4714 58.7856 32.2696 177.8320 134 Y 4.2008 8.0221 119.0424 61.0991 38.8038 178.4247 135 N 4.1513 8.6684 117.1799 56.2201 38.4515 177.2454 136 R 3.7999 7.6344 118.6492 59.6269 30.4673 178.3107 137 I 3.5352 7.7151 119.3390 64.2002 36.7637 178.0073 138 A 3.5223 7.4802 121.7423 55.3022 17.9482 179.7384 139 R 4.2384 7.7940 118.2592 59.2200 30.3073 178.6398 140 E 4.0449 8.0416 118.3482 59.2214 29.3786 179.4242 141 W 4.2746 8.0803 118.8414 60.0496 28.9121 178.6918 142 T 4.2309 8.0686 115.4874 66.5620 67.5857 176.7843 143 Q 4.0474 7.6990 119.2033 58.4631 28.8299 178.0327 144 K 3.8080 7.6848 119.1150 58.8696 32.4919 177.4197 145 Y 4.6215 7.8767 114.5911 58.3068 39.5908 176.3798 146 A 4.0446 7.5410 119.5375 52.0603 19.4233 177.1187 147 M 4.2180 7.6595 121.1374 55.3993 32.5087 175.6776 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 A 8.12 4.35 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 3 S 7.43 3.66 0.00 3.97 3.83 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 4 K 8.23 3.90 0.00 1.81 1.91 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.55 7.81 5 R 7.50 3.94 0.00 2.11 2.17 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 6 I 7.43 3.48 1.56 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.47 0.65 0.00 0.00 7 H 8.02 4.22 0.00 3.19 3.31 0.00 5.68 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 8 K 8.08 3.83 0.00 1.94 1.93 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 9 E 7.84 4.09 0.00 2.19 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 2.49 2.45 0.00 10 L 8.56 4.28 0.00 2.05 1.91 0.30 0.37 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 11 N 8.20 4.37 0.00 2.79 2.86 0.00 0.00 7.04 8.08 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 12 D 8.32 4.49 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.12 0.00 2.01 1.74 1.23 0.77 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 14 A 7.70 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 15 R 7.84 4.48 0.00 1.81 2.00 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 16 D 7.40 4.63 0.00 2.88 2.64 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 17 P 0.00 4.59 0.00 2.09 2.04 0.00 3.74 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 18 P 0.00 4.50 0.00 2.27 2.26 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.03 0.00 19 A 8.50 4.04 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 20 Q 10.21 4.02 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 21 C 8.04 5.94 0.00 3.05 2.91 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 0.00 0.00 0.00 22 S 8.15 4.97 0.00 3.88 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 23 A 8.43 4.79 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 24 G 8.31 3.47 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 0.00 25 P 0.00 4.88 0.00 2.05 1.67 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 26 V 7.78 4.17 2.06 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 0.73 0.00 0.00 0.95 0.00 0.00 27 G 8.50 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 28 D 8.67 4.44 0.00 2.70 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 29 D 7.99 4.38 0.00 2.73 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 30 M 8.72 4.50 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 31 F 9.96 4.72 0.00 2.89 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 32 H 8.39 5.37 0.00 3.21 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.50 5.35 0.00 3.37 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 34 Q 9.13 5.05 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 35 A 9.42 5.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.95 5.24 4.40 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 1.48 0.00 0.00 37 I 8.90 5.19 1.95 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 1.26 0.80 1.00 0.00 0.00 38 M 8.90 4.82 0.00 1.99 2.07 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 2.64 2.55 0.00 39 G 8.59 4.66 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 40 P 0.00 4.44 0.00 2.19 2.13 0.00 3.96 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 41 N 8.74 4.44 0.00 2.76 2.80 0.00 0.00 7.03 8.06 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 42 D 9.14 4.45 0.00 2.85 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 43 S 7.68 4.89 0.00 4.07 4.10 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 0.00 0.00 0.00 44 P 0.00 4.27 0.00 1.74 2.14 0.00 3.51 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 0.75 1.81 0.00 45 Y 7.55 5.04 0.00 3.35 3.36 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 46 Q 7.88 4.24 0.00 2.38 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.49 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 47 G 9.09 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 0.00 0.00 0.00 48 G 7.68 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 49 V 7.59 4.72 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 0.84 0.00 0.00 0.93 0.00 0.00 50 F 9.41 4.54 0.00 3.02 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 51 F 9.01 5.64 0.00 2.97 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 52 L 9.72 5.28 0.00 1.47 1.37 -0.21 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.85 4.85 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 1.24 0.00 0.00 54 I 8.80 4.66 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.74 0.26 0.00 0.00 55 H 8.91 5.14 0.00 3.24 3.09 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.92 4.65 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 57 P 0.00 4.39 0.00 2.17 2.05 0.00 3.61 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 2.12 2.00 0.00 58 T 8.23 4.00 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 0.82 0.00 0.00 59 D 7.85 4.80 0.00 2.77 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 60 Y 7.84 4.59 0.00 3.10 2.95 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 61 P 0.00 3.78 0.00 1.87 0.49 0.00 3.26 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 62 F 7.70 4.80 0.00 3.22 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 63 K 7.77 4.75 0.00 1.71 1.63 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.51 7.81 64 P 0.00 2.97 0.00 1.71 1.38 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 65 P 0.00 4.07 0.00 1.15 0.98 0.00 2.42 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 66 K 8.48 4.17 0.00 1.58 1.68 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.20 7.81 67 V 8.25 4.83 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 0.73 0.00 0.00 0.79 0.00 0.00 68 A 8.73 5.03 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 69 F 9.23 4.69 0.00 3.05 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 70 T 9.07 4.36 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 1.27 0.00 0.00 71 T 8.06 4.35 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 1.17 0.00 0.00 72 R 8.71 3.93 0.00 0.95 1.17 0.00 3.17 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 73 I 8.30 4.98 1.85 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.65 0.46 0.00 0.00 74 Y 8.81 3.89 0.00 1.43 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 75 H 7.63 4.98 0.00 2.88 2.78 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.28 0.00 2.03 1.93 0.00 2.97 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 1.56 1.96 0.00 77 N 8.36 5.02 0.00 2.65 2.70 0.00 0.00 6.92 7.33 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 78 I 7.54 4.87 1.49 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.03 0.43 0.00 0.00 79 N 8.30 4.81 0.00 2.93 2.95 0.00 0.00 5.97 7.20 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 80 S 8.59 4.22 0.00 4.01 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 81 N 8.20 4.38 0.00 2.84 2.93 0.00 0.00 7.20 7.65 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 82 G 8.10 4.64 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 0.00 0.00 0.00 83 S 8.36 4.38 0.00 4.02 3.80 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 84 I 8.23 4.37 1.89 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.92 0.00 0.00 85 S 8.40 4.45 0.00 3.78 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 86 L 7.56 4.81 0.00 1.71 1.46 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.76 4.38 0.00 2.89 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 88 I 7.83 4.10 2.00 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 1.48 0.71 0.96 0.00 0.00 89 L 7.52 4.61 0.00 1.90 1.69 0.90 0.69 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 90 R 7.80 4.54 0.00 1.75 1.71 0.00 3.16 0.00 0.00 3.27 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 91 S 8.44 4.31 0.00 4.00 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 92 Q 7.91 4.44 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 93 W 8.09 4.54 0.00 3.48 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 94 S 6.66 4.21 0.00 3.61 3.26 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 95 P 0.00 4.10 0.00 2.19 2.29 0.00 3.59 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 1.87 1.95 0.00 96 A 7.25 3.98 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 97 L 6.98 3.85 0.00 1.00 1.59 0.92 0.59 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 98 K 8.31 4.97 0.00 2.01 1.97 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.49 7.81 99 I 10.10 3.82 2.05 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 1.94 0.89 1.04 0.00 0.00 100 S 8.28 4.17 0.00 3.92 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 0.00 101 K 7.99 4.02 0.00 1.83 2.07 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 102 V 7.99 3.85 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 0.93 0.00 0.00 1.20 0.00 0.00 103 L 7.84 4.17 0.00 2.08 1.75 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.30 4.06 0.00 1.77 1.76 1.00 0.84 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 0.00 105 S 7.99 4.21 0.00 4.04 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 0.00 106 I 7.48 3.90 2.07 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 1.57 0.84 1.09 0.00 0.00 107 C 7.93 4.34 0.00 3.17 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 0.00 108 S 7.96 4.14 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 0.00 109 L 7.60 4.03 0.00 1.77 1.84 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.71 4.17 0.00 1.94 1.71 0.88 0.03 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 0.00 111 C 8.10 4.73 0.00 3.21 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 D 7.88 4.70 0.00 2.68 2.62 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 0.00 113 P 0.00 4.41 0.00 0.91 1.44 0.00 3.40 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.79 0.00 114 N 8.18 4.95 0.00 2.67 2.60 0.00 0.00 7.39 7.59 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 0.00 115 P 0.00 4.39 0.00 2.32 2.32 0.00 3.87 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 116 D 7.90 4.72 0.00 2.68 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 0.00 117 D 7.64 4.92 0.00 2.61 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 0.00 118 P 0.00 4.58 0.00 2.13 2.00 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 119 L 8.27 4.28 0.00 1.53 1.63 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.70 4.20 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 0.87 0.00 0.00 0.84 0.00 0.00 121 P 0.00 4.20 0.00 2.29 2.28 0.00 3.75 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 2.06 2.06 0.00 122 E 8.24 3.96 0.00 2.03 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 0.00 2.42 2.43 0.00 123 I 7.64 3.71 1.63 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.27 0.61 0.00 0.00 124 A 7.78 3.95 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 0.00 125 R 8.02 3.86 0.00 1.92 2.11 0.00 3.11 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 126 I 7.48 3.74 2.22 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.23 1.07 0.00 0.00 127 Y 8.15 3.97 0.00 2.39 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 0.00 128 K 7.42 4.17 0.00 1.96 1.80 0.00 1.88 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 129 T 8.04 4.17 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 1.27 0.00 0.00 130 D 7.58 4.79 0.00 2.76 2.64 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 0.00 131 R 7.79 3.73 0.00 1.69 1.85 0.00 3.04 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 132 E 8.25 3.96 0.00 2.04 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 2.40 2.37 0.00 133 K 8.32 3.97 0.00 1.89 2.12 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 134 Y 8.02 4.20 0.00 3.19 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 0.00 135 N 8.67 4.15 0.00 2.94 2.85 0.00 0.00 6.72 8.19 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 0.00 136 R 7.63 3.80 0.00 1.87 2.08 0.00 3.24 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 1.59 1.64 0.00 137 I 7.72 3.54 1.20 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 1.25 0.43 -0.66 0.00 0.00 138 A 7.48 3.52 0.82 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 0.00 139 R 7.79 4.24 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 140 E 8.04 4.04 0.00 2.28 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 2.26 2.58 0.00 141 W 8.08 4.27 0.00 3.73 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 0.00 142 T 8.07 4.23 4.47 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 1.36 0.00 0.00 143 Q 7.70 4.05 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 144 K 7.68 3.81 0.00 1.32 0.86 0.00 1.36 0.00 0.00 0.89 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.03 7.81 145 Y 7.88 4.62 0.00 3.11 2.91 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 0.00 0.00 0.00 146 A 7.54 4.04 0.75 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 0.00 0.00 147 M 7.66 4.22 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.43 0.00