NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6253 8.2893 118.1874 55.2785 32.6515 174.1140 2 S 4.7122 8.9932 114.3392 53.2100 66.6974 173.0368 3 Y 4.2214 9.4248 121.1916 60.3048 38.3587 180.2502 4 A 3.6376 6.5022 122.0150 54.4382 18.4296 178.2582 5 D 4.5833 7.9262 115.2371 56.6799 41.1867 176.8837 6 S 4.9152 8.2352 115.1680 57.6056 63.4340 173.8010 7 S 5.7692 8.4489 114.1588 58.6788 67.3125 173.4390 8 R 4.5882 9.7578 117.3401 55.1636 33.2670 174.0434 9 N 4.3097 8.8776 114.5234 54.4201 37.3310 173.7320 10 A 4.5995 8.2870 117.8574 51.8790 19.0922 178.1929 11 V 4.8234 9.2182 115.3022 59.6534 36.8687 174.4303 12 L 4.9586 8.6782 122.4206 54.1792 42.8315 176.3849 13 T 4.5663 9.1020 115.7152 59.8898 72.5894 173.3162 14 N 4.0178 9.4958 114.7659 54.6781 36.1811 174.4523 15 G 3.6043 8.9049 98.8555 46.8288 0.0000 175.2043 16 G 3.9901 8.5591 107.2657 44.9543 0.0000 174.9734 17 R 4.0352 7.6409 118.7212 57.9181 30.6690 175.7274 18 T 4.9248 7.8746 115.2698 61.4265 71.2705 173.3691 19 L 4.5671 8.5295 129.6059 54.2912 43.6215 175.3598 20 R 5.1622 9.0888 126.2128 54.7287 33.7315 173.7444 21 A 4.9996 9.1610 126.2915 51.0401 23.9181 174.2905 22 E 5.1584 9.3082 119.0935 55.4688 31.4280 175.5298 23 C 5.4257 9.5421 122.6282 57.7784 31.6038 173.2461 24 R 3.7374 8.0310 124.6953 55.6213 30.2764 176.3277 25 N 4.5921 8.7616 124.9173 51.4427 39.2488 175.4964 26 A 3.9464 9.3098 121.1852 55.5908 18.3004 178.9373 27 D 4.3345 7.9570 113.8393 55.8898 41.0237 177.2968 28 G 3.7638 8.1700 107.2185 45.2401 0.0000 172.5723 29 N 5.0160 8.2769 116.4207 50.8915 41.5263 173.8231 30 W 5.0823 8.7301 122.0397 55.9062 30.5226 176.1564 31 V 4.8121 8.7990 117.2964 59.5362 35.5852 175.2380 32 T 4.8141 8.5369 112.6852 62.0456 70.0906 173.7981 33 S 4.8382 8.9129 116.8506 57.1196 66.2589 172.5859 34 E 5.2580 8.7033 122.7779 54.7500 33.2627 174.4966 35 L 4.6005 8.9646 121.8674 53.4787 46.0590 174.9331 36 D 4.8149 8.8365 125.6474 53.5241 40.4773 176.2702 37 L 3.9902 8.7795 128.7191 57.7852 42.0319 179.5778 38 D 4.5890 8.2581 117.8998 56.3512 40.7632 177.5915 39 T 4.3613 7.9096 108.8571 62.3653 69.5249 175.1808 40 I 4.4495 7.3927 112.5430 60.3048 41.1038 174.2189 41 I 4.5920 8.4658 125.4386 59.4594 40.0260 175.2832 42 G 4.6117 9.0770 114.1132 44.3915 0.0000 171.3162 43 N 5.1818 8.6223 118.2388 51.8790 40.5058 173.7489 44 N 4.6566 9.0397 126.6798 52.2099 39.3601 173.4976 45 D 4.2815 9.4315 128.1182 55.1419 39.6978 174.1441 46 G 3.7325 8.2469 101.6400 45.8851 0.0000 173.2243 47 H 4.8928 7.5804 115.4311 53.0518 33.0302 173.1652 48 F 4.5742 8.6207 119.7132 57.9113 39.8415 174.7555 49 Q 4.4087 8.9546 123.6574 53.8357 31.6126 174.2865 50 W 4.3843 8.7307 127.3130 58.1467 29.9948 177.7791 51 G 4.0056 9.4036 113.1042 45.4246 0.0000 173.9754 52 G 3.9591 7.1608 106.9481 44.9390 0.0000 172.6922 53 Q 4.6625 7.7701 115.7793 55.3491 32.8192 174.8504 54 N 4.4702 8.9015 115.4578 54.1106 36.3405 176.8051 55 F 4.2455 8.1674 115.8968 59.9816 38.0077 176.6493 56 T 3.5022 7.5878 111.3266 63.5064 69.0812 176.3406 57 E 3.8025 7.7745 123.5092 59.0977 29.5150 177.9456 58 T 4.6503 7.6224 103.0948 60.8903 70.0204 173.5546 59 A 4.5065 7.6904 124.2559 52.7785 19.1796 177.4428 60 E 4.6956 8.7817 119.2453 55.2986 32.7113 175.4736 61 D 4.4851 8.6301 117.1682 55.2726 39.7030 173.5934 62 I 4.6244 7.8285 118.3211 61.4488 37.9528 176.6302 63 R 4.8359 9.5575 122.8659 54.8504 33.2220 173.6505 64 F 5.3945 8.7367 122.4961 56.8929 42.4752 173.6445 65 H 4.4811 8.6488 123.3979 53.2936 29.8881 172.7435 66 P 3.7770 0.0000 0.0000 65.0716 31.8773 177.0739 67 K 4.7683 7.2258 114.6602 54.7555 32.8982 175.3986 68 E 3.9603 8.9981 122.5009 56.6252 30.8973 177.8096 69 G 4.1068 8.5287 114.5255 44.4463 0.0000 171.7643 70 A 3.8161 8.1335 118.8831 55.9874 18.4847 179.3655 71 A 4.0755 7.8940 117.8851 52.6677 18.8677 177.5944 72 E 3.8708 7.4407 111.4946 57.0251 27.1661 173.5100 73 Q 4.8064 8.5702 119.7589 52.8719 32.7328 173.4204 74 P 5.1478 0.0000 0.0000 62.5211 32.4279 174.7957 75 I 4.9381 8.8252 127.0138 59.3125 40.1853 174.4600 76 L 5.1456 8.7092 129.5741 53.5777 43.9282 175.2510 77 R 5.4182 9.2091 124.9864 54.7922 33.7029 174.6105 78 A 5.2273 8.7024 122.0040 51.5154 23.5919 175.4019 79 R 4.8814 9.3116 119.7926 55.4664 31.6333 175.8235 80 L 4.8817 9.0131 124.4721 52.6490 45.2499 175.8965 81 R 3.5189 7.9805 123.3594 54.9771 30.4884 175.9446 82 D 4.5775 8.7427 127.6525 52.4729 40.7029 176.9880 83 C 4.0496 8.9283 116.7278 62.4174 27.9499 174.7823 84 N 4.5733 8.3434 114.6799 52.9015 38.5315 175.6740 85 G 3.8540 8.3440 107.0181 45.3243 0.0000 173.1569 86 E 4.5031 8.3207 119.6437 55.3289 31.0081 175.6147 87 F 4.8990 8.8025 122.3186 56.8854 40.8000 174.9777 88 H 4.9718 8.8717 118.5273 53.6840 33.2235 172.2714 89 D 4.7697 8.9856 122.2275 54.9448 41.4999 175.4205 90 R 5.0196 9.2492 125.2922 54.6150 33.9196 174.4368 91 D 5.4541 8.6682 118.6848 52.5210 43.0271 175.1000 92 V 4.4520 8.1165 118.5534 60.3900 34.9048 173.0386 93 N 5.0151 8.9391 124.4900 52.9879 39.9234 174.2772 94 L 4.9856 9.1673 126.8770 55.6198 41.9279 177.7162 95 N 4.6563 7.9308 113.1114 53.7342 37.2968 175.4961 96 R 4.0175 7.3051 117.3991 56.6415 31.6420 175.4609 97 I 5.0883 7.7321 121.7579 60.0165 38.6805 174.9613 98 Q 5.0890 9.3991 125.6537 54.0475 32.6866 174.3501 99 N 5.0368 8.7991 120.2556 52.6624 39.9231 174.8395 100 V 4.0178 9.1993 128.7142 61.4909 32.2356 175.1311 101 N 4.0978 9.7711 129.3639 54.6200 37.0179 174.7688 102 G 3.9609 8.9193 104.2970 45.2418 0.0000 172.9069 103 R 4.6795 7.6483 119.1559 53.7557 33.2499 175.1140 104 L 4.5083 8.7968 124.6030 55.2759 42.0745 177.0210 105 V 4.6188 9.0580 117.5760 59.1698 35.9014 174.7664 106 F 5.0385 8.8785 125.7990 58.0823 40.0560 175.3004 107 Q 3.7899 9.1915 125.6507 55.7984 28.7800 175.4170 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 8.29 4.63 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 2 S 8.99 4.71 0.00 3.93 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 3 Y 9.42 4.22 0.00 3.27 3.44 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 4 A 6.50 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.93 4.58 0.00 2.72 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 6 S 8.24 4.92 0.00 3.75 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 7 S 8.45 5.77 0.00 4.10 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 8 R 9.76 4.59 0.00 1.63 1.81 0.00 2.32 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 9 N 8.88 4.31 0.00 2.80 2.92 0.00 0.00 6.97 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 10 A 8.29 4.60 1.64 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 11 V 9.22 4.82 2.17 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 0.85 0.00 0.00 0.98 0.00 0.00 12 L 8.68 4.96 0.00 1.58 1.61 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 T 9.10 4.57 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 1.22 0.00 0.00 14 N 9.50 4.02 0.00 2.89 2.85 0.00 0.00 6.74 8.02 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 15 G 8.90 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 16 G 8.56 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 17 R 7.64 4.04 0.00 1.90 1.87 0.00 3.05 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 18 T 7.87 4.92 4.22 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 1.24 0.00 0.00 19 L 8.53 4.57 0.00 1.54 1.36 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 20 R 9.09 5.16 0.00 1.85 1.69 0.00 3.15 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 21 A 9.16 5.00 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 22 E 9.31 5.16 0.00 2.10 2.14 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 2.34 2.34 0.00 23 C 9.54 5.43 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.03 3.74 0.00 0.67 1.17 0.00 2.99 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 25 N 8.76 4.59 0.00 3.15 2.89 0.00 0.00 6.42 6.71 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 26 A 9.31 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 27 D 7.96 4.33 0.00 2.78 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 28 G 8.17 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 29 N 8.28 5.02 0.00 2.60 2.72 0.00 0.00 6.99 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 30 W 8.73 5.08 0.00 3.23 3.24 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 31 V 8.80 4.81 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 0.79 0.00 0.00 1.05 0.00 0.00 32 T 8.54 4.81 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 1.26 0.00 0.00 33 S 8.91 4.84 0.00 4.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.70 5.26 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 35 L 8.96 4.60 0.00 1.65 1.42 0.96 1.29 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 36 D 8.84 4.81 0.00 2.71 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 37 L 8.78 3.99 0.00 2.09 1.79 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.26 4.59 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.91 4.36 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 1.25 0.00 0.00 40 I 7.39 4.45 1.00 0.00 0.00 1.00 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 0.97 0.81 0.00 0.00 41 I 8.47 4.59 1.52 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.71 0.46 0.00 0.00 42 G 9.08 4.61 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 0.00 0.00 0.00 43 N 8.62 5.18 0.00 2.65 2.67 0.00 0.00 6.66 7.79 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 44 N 9.04 4.66 0.00 2.77 2.65 0.00 0.00 6.49 8.31 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 45 D 9.43 4.28 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.25 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 47 H 7.58 4.89 0.00 3.00 3.13 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.62 4.57 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 4.41 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 50 W 8.73 4.38 0.00 3.52 3.35 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 51 G 9.40 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 0.00 0.00 0.00 52 G 7.16 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 0.00 0.00 0.00 53 Q 7.77 4.66 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.14 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 54 N 8.90 4.47 0.00 2.94 2.88 0.00 0.00 6.96 7.69 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 55 F 8.17 4.25 0.00 3.17 3.31 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 56 T 7.59 3.50 3.91 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 0.27 0.00 0.00 57 E 7.77 3.80 0.00 2.02 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 2.31 2.26 0.00 58 T 7.62 4.65 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 1.24 0.00 0.00 59 A 7.69 4.51 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 60 E 8.78 4.70 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 61 D 8.63 4.49 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.83 4.62 1.96 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 1.59 0.73 1.13 0.00 0.00 63 R 9.56 4.84 0.00 1.80 2.02 0.00 2.76 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 64 F 8.74 5.39 0.00 2.91 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 65 H 8.65 4.48 0.00 2.95 3.04 0.00 5.71 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 3.78 0.00 2.02 2.14 0.00 3.53 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 67 K 7.23 4.77 0.00 1.62 1.65 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 68 E 9.00 3.96 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 69 G 8.53 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 70 A 8.13 3.82 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 71 A 7.89 4.08 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 72 E 7.44 3.87 0.00 2.06 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 2.41 2.38 0.00 73 Q 8.57 4.81 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 74 P 0.00 5.15 0.00 2.56 2.45 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.73 0.00 75 I 8.83 4.94 1.89 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 1.35 1.27 1.03 0.00 0.00 76 L 8.71 5.15 0.00 1.73 1.19 0.98 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 77 R 9.21 5.42 0.00 1.79 1.88 0.00 3.26 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 78 A 8.70 5.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 9.31 4.88 0.00 1.85 2.04 0.00 3.09 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 80 L 9.01 4.88 0.00 1.28 1.27 -0.16 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.98 3.52 0.00 0.67 1.44 0.00 3.18 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 0.00 82 D 8.74 4.58 0.00 3.10 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 83 C 8.93 4.05 0.00 3.00 3.01 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 84 N 8.34 4.57 0.00 3.00 2.83 0.00 0.00 7.05 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 85 G 8.34 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.50 0.00 2.26 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 87 F 8.80 4.90 0.00 2.86 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 88 H 8.87 4.97 0.00 2.94 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.99 4.77 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.25 5.02 0.00 1.59 1.83 0.00 3.32 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 91 D 8.67 5.45 0.00 2.66 2.68 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 92 V 8.12 4.45 1.61 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 -0.59 0.00 0.00 0.76 0.00 0.00 93 N 8.94 5.02 0.00 2.84 2.87 0.00 0.00 7.20 7.78 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 94 L 9.17 4.99 0.00 2.13 2.02 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.93 4.66 0.00 2.83 3.04 0.00 0.00 6.78 7.54 0.00 0.00 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 R 7.31 4.02 0.00 0.67 1.23 0.00 2.90 0.00 0.00 2.99 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 97 I 7.73 5.09 2.22 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.83 0.00 0.00 98 Q 9.40 5.09 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 99 N 8.80 5.04 0.00 2.84 2.82 0.00 0.00 6.80 7.71 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 0.00 100 V 9.20 4.02 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 0.88 0.00 0.00 0.92 0.00 0.00 101 N 9.77 4.10 0.00 2.77 2.76 0.00 0.00 7.36 7.98 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 0.00 102 G 8.92 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 0.00 0.00 0.00 103 R 7.65 4.68 0.00 1.87 1.82 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 104 L 8.80 4.51 0.00 1.49 1.56 0.78 0.85 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 0.00 105 V 9.06 4.62 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 0.72 0.00 0.00 0.93 0.00 0.00 106 F 8.88 5.04 0.00 3.00 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 0.00 107 Q 9.19 3.79 0.00 1.60 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.32 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00