NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2139 8.1727 122.0584 56.3147 34.1424 173.9912 2 V 4.6516 8.2151 126.9551 60.8106 32.3047 174.6028 3 F 4.3479 9.4264 128.1100 57.2673 40.0905 175.5955 4 G 3.8209 9.1626 109.2847 45.9701 0.0000 174.8160 5 R 3.4241 8.8101 120.5403 59.6295 30.1051 179.6952 6 C 4.3356 8.0983 115.6756 59.7750 37.2774 175.3730 7 E 3.9069 8.2100 120.5590 59.3815 29.1979 178.6482 8 L 3.4910 8.2759 120.2936 57.7311 42.1025 178.4067 9 A 3.8884 7.8446 120.6108 55.3241 18.2279 179.3012 10 A 3.9258 8.2644 119.0256 55.4728 18.5270 179.7757 11 A 3.9700 7.9936 119.1180 55.5362 18.4013 179.7912 12 M 3.8341 8.4569 117.6162 58.2865 31.9553 178.9657 13 K 3.8958 8.1190 119.8459 59.4337 32.1834 178.9049 14 R 3.8858 8.0398 118.1749 59.1038 29.9298 177.1209 15 H 4.6995 7.7038 113.8103 54.9047 28.9778 175.2700 16 G 3.8676 7.8072 107.9613 46.7195 0.0000 175.4770 17 L 3.7332 7.7417 121.6750 55.5235 42.0890 176.5169 18 D 4.5503 7.9861 118.1605 55.4627 41.3114 174.9810 19 N 4.3951 9.1148 122.8386 54.1893 37.1011 173.2859 20 Y 4.3126 8.3514 120.4669 58.8963 39.1806 175.9376 21 R 3.3883 9.1909 124.6721 57.1413 27.9126 177.2153 22 G 3.7295 8.3180 104.4516 45.5002 0.0000 173.7178 23 Y 4.3688 8.0491 119.0055 55.9286 38.4695 175.7056 24 S 4.5394 8.5808 120.0013 57.9686 63.9403 174.8657 25 L 4.3070 9.1307 123.1162 58.8493 41.5158 179.6965 26 G 3.8112 8.2844 104.8552 47.6623 0.0000 175.2422 27 N 4.4837 8.3793 118.7709 56.1813 38.6211 177.4688 28 W 3.9022 7.8126 119.6609 59.6057 29.1229 178.5706 29 V 3.5642 8.0887 118.3193 66.1065 31.0023 177.1980 30 C 2.6798 8.2357 118.2393 59.0210 43.5420 175.1765 31 A 3.9102 8.0850 122.3725 55.3343 17.8928 179.5264 32 A 4.0794 7.8227 120.3816 54.3957 18.3974 179.5779 33 K 2.4800 7.7797 118.3625 59.3424 31.8345 178.7316 34 F 4.5637 7.1723 115.1863 59.1851 39.1523 177.8484 35 E 4.2901 8.2705 118.6808 58.6443 29.6860 177.6905 36 S 4.5622 7.9307 109.4409 56.5481 64.4836 173.3582 37 N 3.9044 8.9492 118.2572 54.8143 37.7521 174.3001 38 F 4.1361 8.1590 110.5942 57.6629 36.5990 173.7937 39 N 5.2679 7.9510 121.0661 51.9517 39.1772 175.7559 40 T 3.9994 9.0550 118.1178 64.6375 68.8074 175.5002 41 Q 4.3517 8.4716 118.6302 55.4490 29.2914 175.5012 42 A 4.2598 7.8760 121.9431 52.7706 19.2024 177.0896 43 T 4.9976 8.3993 111.7951 60.0907 72.3346 173.3370 44 N 4.9050 8.5692 120.3759 51.8640 43.3756 173.6844 45 R 4.4516 8.5866 124.8254 56.1588 31.0570 175.7651 46 N 4.7797 9.2031 124.4533 52.2401 39.8491 176.1122 47 T 3.8632 8.6302 111.3604 65.0698 68.4687 174.5456 48 D 4.4967 7.9748 118.1334 53.3794 39.7546 176.9028 49 G 3.9344 8.1419 109.5585 45.1515 0.0000 173.9996 50 S 4.5667 8.4375 115.2044 58.4254 64.9756 173.1967 51 T 5.0177 8.8860 115.5993 61.9518 72.9120 172.9127 52 D 5.4148 8.9151 125.1661 53.1569 43.3500 175.0704 53 Y 4.6510 9.1376 120.3509 57.5823 41.6774 176.8235 54 G 4.2754 9.3743 112.0072 45.4838 0.0000 173.1037 55 I 3.9314 8.3366 116.3726 62.7844 37.8323 177.5589 56 L 4.6781 7.8501 116.6191 53.5904 42.4883 176.1956 57 Q 3.6296 8.0580 116.0272 57.1415 26.9025 174.5810 58 I 4.1090 7.9459 118.5710 61.3925 38.9512 176.4931 59 N 5.6970 9.3824 125.8270 52.1777 39.9802 175.7688 60 S 4.5040 9.2098 120.7311 60.7523 63.3936 175.3538 61 R 3.6706 8.1355 121.2835 58.4330 30.3487 178.2012 62 W 4.2554 8.0201 116.7519 56.6476 31.7068 176.6647 63 W 4.9279 8.1516 117.0075 57.2648 31.1280 173.7749 64 C 5.5877 8.1389 111.6732 53.7857 44.2910 172.9677 65 N 4.9340 9.1146 119.5630 52.2859 39.6839 174.8508 66 D 4.6898 8.8036 124.3095 52.2263 40.3794 176.8489 67 G 3.9693 8.4050 107.1647 46.3644 0.0000 174.2117 68 R 4.7068 8.3976 114.5048 56.0891 30.3744 176.1392 69 T 4.4376 7.6057 116.3496 60.7941 68.5074 170.1235 70 P 4.3002 0.0000 0.0000 64.3105 31.9334 177.0108 71 G 3.8042 8.9124 111.0866 45.1711 0.0000 173.3314 72 S 4.0857 7.5103 114.1589 57.6808 64.0291 172.9561 73 R 4.5144 7.5261 119.9968 54.0620 32.9547 176.2852 74 N 5.0580 7.7912 114.8145 53.0411 37.7080 175.1043 75 L 4.2637 8.8176 120.3917 57.4911 42.5466 179.1361 76 C 4.5079 8.8514 114.7496 55.6624 40.6599 173.1513 77 N 4.0503 7.8263 117.1623 53.7448 37.3729 173.5099 78 I 4.5802 8.2193 117.9002 58.7270 42.2226 171.9756 79 P 4.7861 0.0000 0.0000 62.6729 32.1227 178.1351 80 C 4.0478 8.7850 119.1875 59.8964 38.6697 176.5270 81 S 3.9453 7.9741 115.3264 61.5195 62.0487 176.3525 82 A 4.1020 7.7947 123.1773 54.4304 18.2362 178.6325 83 L 4.3129 7.8360 116.0762 55.5264 41.5439 177.8179 84 L 5.5044 7.4899 117.4864 53.6235 42.4100 176.7732 85 S 4.3752 7.7794 113.7651 57.8590 62.9769 174.2203 86 S 4.2828 8.5528 119.7915 60.8366 63.1630 174.1407 87 D 4.6193 7.9673 121.0835 53.5409 41.5528 176.1602 88 I 4.0642 8.2833 119.3975 61.4717 37.9252 177.4018 89 T 3.6797 8.2248 119.2864 67.1808 68.3918 175.8433 90 A 3.9376 7.8541 121.5683 55.3178 18.4401 179.6056 91 S 4.0681 7.9630 113.1998 61.6279 62.8393 177.0514 92 V 3.2424 7.7919 120.8834 65.9721 30.9567 177.7168 93 N 4.1228 8.1864 116.5117 56.4624 38.3238 176.6272 94 C 4.2107 8.2166 119.4170 59.6423 44.0960 175.2113 95 A 4.0565 8.1942 122.7226 55.3265 17.5347 179.6829 96 K 3.4870 7.9187 116.8912 59.5102 31.8116 179.7284 97 K 4.0518 7.3344 117.1517 59.3353 32.2515 179.2169 98 I 2.8621 7.4424 120.4191 64.0314 36.4118 178.8763 99 V 3.8550 8.1971 119.5212 64.1585 30.8875 177.5890 100 S 4.5444 7.8720 114.5885 59.4214 62.7759 174.7764 101 D 4.5090 7.9473 120.6581 55.2380 41.1764 175.2122 102 G 3.5951 6.3502 113.3208 46.2047 0.0000 174.2763 103 N 4.8241 8.0362 117.0139 51.8942 39.3818 175.8131 104 G 4.0720 7.8687 107.1701 45.7747 0.0000 175.7966 105 M 4.0804 7.5508 119.6913 56.4298 31.8641 177.9373 106 N 4.7168 7.6266 116.1571 55.7809 38.9369 176.0639 107 A 3.8419 7.3943 119.8033 54.4588 18.5592 177.9453 108 W 4.5424 8.2644 116.9050 55.6028 29.3855 177.3483 109 V 3.6949 8.4635 124.8201 65.8977 31.0475 177.5431 110 A 4.0148 8.0781 119.2646 54.6871 18.1849 179.4761 111 W 3.9432 8.3449 126.5538 60.5756 30.6944 177.9213 112 R 3.5957 8.2994 117.4072 59.5644 29.6521 177.7810 113 N 4.5191 8.1785 114.1635 54.5905 38.8549 176.0719 114 R 4.3912 8.0564 116.5006 55.5090 32.7394 175.3192 115 C 4.6987 7.6758 113.6468 57.8732 42.3689 174.0743 116 K 3.0683 6.6861 119.8010 57.9400 31.5748 176.7644 117 G 3.9010 8.8408 114.4518 45.6228 0.0000 173.2107 118 T 4.2978 7.4330 109.8066 60.5579 70.2971 175.6059 119 D 4.6949 8.2152 121.2578 53.8158 39.2047 176.6394 120 V 4.1940 7.8570 116.2534 63.1927 32.6343 178.3926 121 Q 4.1249 8.2051 120.2356 58.6082 28.9466 177.2355 122 A 3.9198 7.8181 121.9530 55.2224 17.9817 179.6010 123 W 4.2444 7.9827 116.5965 58.7043 29.3534 177.1225 124 I 4.4288 7.5957 110.7395 60.1524 37.4735 175.1132 125 R 4.2542 7.5370 122.0586 57.9525 30.0858 177.0551 126 G 3.9947 8.9247 113.1315 45.6379 0.0000 174.0634 127 C 4.3662 7.8717 117.8386 56.3724 40.7519 173.6664 128 R 3.9726 8.5019 127.2284 56.2547 29.0730 176.7477 *129 L 4.1530 8.3091 124.6203 54.4523 41.6112 173.8844 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 K 8.17 4.21 0.00 1.79 1.74 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.19 7.81 2 V 8.22 4.65 2.12 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 0.96 0.00 0.00 0.99 0.00 0.00 3 F 9.43 4.35 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 4 G 9.16 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 5 R 8.81 3.42 0.00 2.14 2.03 0.00 3.56 0.00 0.00 3.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 6 C 8.10 4.34 0.00 3.02 3.13 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 7 E 8.21 3.91 0.00 2.05 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 2.60 2.41 0.00 8 L 8.28 3.49 0.00 1.38 1.31 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.89 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.26 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.99 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.46 3.83 0.00 1.82 2.14 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 13 K 8.12 3.90 0.00 1.83 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 14 R 8.04 3.89 0.00 1.80 2.18 0.00 3.24 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 15 H 7.70 4.70 0.00 3.02 3.17 0.00 6.00 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 16 G 7.81 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 17 L 7.74 3.73 0.00 1.50 1.01 -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.99 4.55 0.00 2.64 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 19 N 9.11 4.40 0.00 2.99 2.93 0.00 0.00 6.21 8.63 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 20 Y 8.35 4.31 0.00 3.22 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 R 9.19 3.39 0.00 2.34 2.19 0.00 3.36 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.72 0.00 22 G 8.32 3.73 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 0.00 0.00 0.00 23 Y 8.05 4.37 0.00 3.29 2.46 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 24 S 8.58 4.54 0.00 4.10 4.08 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 0.00 0.00 0.00 25 L 9.13 4.31 0.00 2.05 1.84 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.28 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.38 4.48 0.00 2.83 2.59 0.00 0.00 6.93 7.01 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 28 W 7.81 3.90 0.00 3.45 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 29 V 8.09 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.00 0.00 0.00 30 C 8.24 2.68 0.00 2.59 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 31 A 8.09 3.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.82 4.08 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.78 2.48 0.00 0.79 0.74 0.00 0.62 0.00 0.00 0.67 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.17 4.56 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.27 4.29 0.00 2.01 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 2.61 2.59 0.00 36 S 7.93 4.56 0.00 4.16 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 0.00 37 N 8.95 3.90 0.00 2.73 2.83 0.00 0.00 7.21 6.62 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 38 F 8.16 4.14 0.00 3.35 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 39 N 7.95 5.27 0.00 2.81 2.89 0.00 0.00 6.95 7.24 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 40 T 9.05 4.00 4.49 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 1.56 0.00 0.00 41 Q 8.47 4.35 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 42 A 7.88 4.26 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 43 T 8.40 5.00 3.94 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 1.28 0.00 0.00 44 N 8.57 4.90 0.00 2.73 2.67 0.00 0.00 6.65 7.03 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 45 R 8.59 4.45 0.00 1.76 1.80 0.00 3.24 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 46 N 9.20 4.78 0.00 3.03 2.71 0.00 0.00 6.39 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 47 T 8.63 3.86 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 1.21 0.00 0.00 48 D 7.97 4.50 0.00 2.78 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 49 G 8.14 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 0.00 0.00 0.00 0.00 50 S 8.44 4.57 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.89 5.02 4.38 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 0.52 0.00 0.00 52 D 8.92 5.41 0.00 2.71 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 53 Y 9.14 4.65 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.37 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 0.00 0.00 0.00 0.00 55 I 8.34 3.93 1.88 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 1.26 2.25 0.84 0.00 0.00 56 L 7.85 4.68 0.00 1.73 1.79 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.06 3.63 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 58 I 7.95 4.11 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 1.08 0.00 0.00 59 N 9.38 5.70 0.00 3.05 2.96 0.00 0.00 7.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.21 4.50 0.00 3.98 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 0.00 61 R 8.14 3.67 0.00 1.83 2.00 0.00 2.55 0.00 0.00 2.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 62 W 8.02 4.26 0.00 2.24 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 63 W 8.15 4.93 0.00 3.54 3.28 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 64 C 8.14 5.59 0.00 3.06 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 65 N 9.11 4.93 0.00 2.81 2.69 0.00 0.00 7.11 8.04 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 66 D 8.80 4.69 0.00 2.82 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 67 G 8.41 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.40 4.71 0.00 1.89 1.95 0.00 3.03 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 69 T 7.61 4.44 4.18 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 1.11 0.00 0.00 70 P 0.00 4.30 0.00 1.98 1.98 0.00 3.65 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 2.00 2.07 0.00 71 G 8.91 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 0.00 0.00 0.00 72 S 7.51 4.09 0.00 3.96 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 73 R 7.53 4.51 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.87 0.00 74 N 7.79 5.06 0.00 2.77 2.63 0.00 0.00 6.92 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 75 L 8.82 4.26 0.00 1.59 1.86 0.46 0.90 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 76 C 8.85 4.51 0.00 3.20 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 77 N 7.83 4.05 0.00 2.85 2.82 0.00 0.00 6.83 7.22 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 78 I 8.22 4.58 2.07 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 1.35 1.17 0.94 0.00 0.00 79 P 0.00 4.79 0.00 2.19 2.12 0.00 3.73 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 2.04 1.96 0.00 80 C 8.78 4.05 0.00 2.04 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 81 S 7.97 3.95 0.00 4.03 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 82 A 7.79 4.10 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 83 L 7.84 4.31 0.00 1.92 1.79 0.99 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.49 5.50 0.00 1.80 1.75 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.78 4.38 0.00 3.84 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 86 S 8.55 4.28 0.00 4.00 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 87 D 7.97 4.62 0.00 2.68 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 88 I 8.28 4.06 1.66 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.07 0.73 0.00 0.00 89 T 8.22 3.68 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 1.24 0.00 0.00 90 A 7.85 3.94 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 91 S 7.96 4.07 0.00 3.93 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 92 V 7.79 3.24 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 0.79 0.00 0.00 0.67 0.00 0.00 93 N 8.19 4.12 0.00 2.73 2.80 0.00 0.00 6.74 8.05 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 94 C 8.22 4.21 0.00 3.08 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 95 A 8.19 4.06 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 96 K 7.92 3.49 0.00 1.71 1.50 0.00 1.30 0.00 0.00 1.16 0.00 0.00 2.42 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.83 7.81 97 K 7.33 4.05 0.00 1.78 1.96 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.59 7.81 98 I 7.44 2.86 1.49 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.32 0.00 0.00 99 V 8.20 3.85 2.66 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 1.44 0.00 0.00 0.85 0.00 0.00 100 S 7.87 4.54 0.00 4.11 4.01 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 0.00 101 D 7.95 4.51 0.00 2.98 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 0.00 102 G 6.35 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 0.00 103 N 8.04 4.82 0.00 2.74 2.83 0.00 0.00 6.99 7.83 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 0.00 104 G 7.87 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 0.00 0.00 0.00 105 M 7.55 4.08 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.89 0.00 106 N 7.63 4.72 0.00 2.92 3.03 0.00 0.00 6.89 7.11 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 0.00 107 A 7.39 3.84 0.74 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 0.00 108 W 8.26 4.54 0.00 3.67 3.32 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 0.00 109 V 8.46 3.69 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.99 0.00 0.00 110 A 8.08 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.34 3.94 0.00 3.34 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 3.60 0.00 2.08 2.16 0.00 3.36 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 113 N 8.18 4.52 0.00 2.67 2.78 0.00 0.00 6.88 7.37 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 0.00 114 R 8.06 4.39 0.00 1.55 1.12 0.00 2.86 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 115 C 7.68 4.70 0.00 2.37 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 0.00 116 K 6.69 3.07 0.00 0.79 1.30 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.25 1.14 7.81 117 G 8.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.43 4.30 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 1.24 0.00 0.00 119 D 8.22 4.69 0.00 2.79 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 0.00 120 V 7.86 4.19 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 0.80 0.00 0.00 1.07 0.00 0.00 121 Q 8.21 4.12 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 122 A 7.82 3.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.98 4.24 0.00 3.57 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 0.00 124 I 7.60 4.43 1.94 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 1.38 0.90 1.05 0.00 0.00 125 R 7.54 4.25 0.00 1.82 1.93 0.00 3.25 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 126 G 8.92 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 0.00 0.00 0.00 127 C 7.87 4.37 0.00 3.09 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 0.00 128 R 8.50 3.97 0.00 1.78 1.88 0.00 3.27 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *129 L 8.31 4.15 0.00 1.45 1.47 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.