NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3359 8.3044 118.1932 54.6223 32.7795 175.6234 2 K 3.5923 7.8409 121.2405 55.8366 30.6089 170.4778 3 V 3.5607 8.4797 126.6657 61.5260 32.4795 175.1762 4 F 4.6718 8.6226 127.9858 56.5875 39.7096 175.1371 5 K 5.0826 8.3496 121.8971 55.4024 36.0591 175.3961 6 R 4.2259 8.5181 122.1045 55.5444 30.5657 175.9289 7 V 3.9774 8.2997 126.4157 61.6392 32.6348 175.6510 8 A 4.8725 8.4705 130.2268 50.5388 15.6841 177.3304 9 G 4.9427 7.7881 122.6835 46.7256 0.0000 171.2561 10 I 3.9322 7.1750 121.5261 61.1922 34.9595 175.3833 11 K 4.2524 8.1032 122.9111 56.1536 32.8700 176.5444 12 D 4.5742 7.7226 119.3084 54.4482 41.8904 177.2117 13 K 4.0127 8.6853 124.3744 58.9323 32.2479 179.3878 14 A 3.9434 7.9001 120.7964 55.1606 18.4706 179.3924 15 A 3.9741 7.8893 118.8603 55.1427 18.5409 179.5695 16 I 3.4855 7.7550 118.3876 64.6219 37.2432 178.6654 17 K 3.9175 8.0682 119.9770 59.4777 31.9413 179.0590 18 T 3.8089 7.8310 116.2816 66.2907 68.4532 176.3627 19 L 3.7018 7.8534 122.3317 58.1584 42.0399 179.2227 20 I 3.4015 7.5050 119.6752 64.2353 36.8516 178.6069 21 S 3.9388 7.8446 115.8275 61.2520 62.6899 176.5792 22 A 3.6489 7.4365 123.2487 55.0181 18.0104 179.5823 23 A 3.8336 7.4714 118.9012 55.1829 18.3354 179.5577 24 Y 4.3602 7.4541 115.4540 61.5412 37.5919 178.8611 25 R 4.4736 7.7000 119.4077 57.6852 29.8645 179.0104 26 Q 3.9100 7.5668 117.6055 59.0338 29.3228 177.6597 27 I 3.2643 7.5343 120.8863 63.6203 37.0734 178.2502 28 F 4.2283 8.3397 119.3870 58.5555 39.1209 176.2515 29 E 4.3483 8.3382 126.2214 56.7289 29.6819 174.6443 30 R 4.0445 7.9433 113.1084 55.8923 29.9570 175.5597 31 D 4.3891 8.5799 120.3611 54.2717 41.2819 175.4094 32 I 3.9581 8.1154 127.9204 59.6988 38.4049 176.2887 33 A 3.8537 8.2070 127.2260 51.6706 19.2520 176.3826 34 P 4.2495 0.0000 0.0000 66.0306 31.2908 178.4040 35 Y 4.7935 7.6039 117.2178 59.3962 38.0066 178.1844 36 I 3.6161 6.9417 121.1510 64.1581 37.2652 177.9068 37 A 4.1090 7.9231 121.8563 55.0890 18.2135 179.3538 38 Q 4.1161 8.2836 115.5206 58.6878 28.7405 178.0428 39 N 4.4574 7.5666 117.7103 55.3674 38.7091 176.5325 40 E 4.1170 7.9179 118.9127 57.8075 30.3392 177.5915 41 F 5.1869 8.0609 115.9232 57.1586 40.1710 177.8143 42 S 4.3848 8.3884 119.7240 61.4585 62.5052 176.2194 43 G 3.8628 8.1658 108.1931 46.9933 0.0000 175.0656 44 W 4.9079 8.4584 130.0860 60.1123 30.9241 177.7497 45 E 3.8867 9.0669 120.3127 59.0875 29.0733 178.7803 46 S 4.1562 7.8802 113.2361 61.5226 62.9418 176.7428 47 K 4.3845 7.6306 123.0366 58.5203 31.4588 179.1426 48 L 3.8361 7.6212 120.3218 57.9609 41.8584 179.1095 49 G 3.5493 7.8611 106.8945 48.1078 0.0000 174.1925 50 N 4.4555 8.0226 116.0376 53.5494 39.1475 176.2148 51 G 3.9620 7.5129 106.0080 45.4519 0.0000 174.5461 52 E 4.0593 8.4779 122.3337 57.8477 29.5964 176.7906 53 I 4.6783 7.3178 110.0824 58.6291 40.8191 175.0347 54 T 4.3584 7.8717 111.5785 60.5282 71.6138 175.8530 55 V 3.5600 8.1252 120.1482 65.6723 31.3178 177.6092 56 K 4.0362 8.1521 119.0438 59.9846 32.1440 178.4621 57 E 4.0313 8.3619 118.5564 59.0778 29.3192 179.1808 58 F 3.8982 8.0994 120.4474 61.4449 39.4719 177.3807 59 I 3.8305 8.1453 119.5345 64.2762 36.6930 178.0161 60 E 3.7672 8.4026 119.8521 59.1516 29.5056 178.8847 61 G 3.4219 7.9758 105.4666 47.5026 0.0000 175.7482 62 L 4.1967 7.9409 121.4910 57.6083 41.4146 179.7534 63 G 3.7775 7.9469 104.6911 47.6426 0.0000 174.7923 64 Y 4.6411 7.4358 117.5869 58.6833 38.4249 175.7966 65 S 4.2631 7.6002 116.0365 58.3100 62.8465 174.4001 66 N 4.5043 8.9363 126.1881 55.8342 38.5026 176.3544 67 L 4.0112 7.7116 120.8350 58.5951 42.2690 178.0291 68 Y 4.3725 8.0509 118.9012 60.9979 38.5927 178.2457 69 L 3.8593 7.9035 119.1690 57.2789 41.5584 179.1144 70 K 4.2496 8.0208 120.7161 58.8009 32.1317 178.4915 71 E 3.9707 7.5568 116.5244 58.3824 29.7186 178.7526 72 F 3.8802 7.5227 115.8607 56.3988 40.0739 175.2698 73 Y 5.0180 7.7201 120.6412 59.3007 45.9098 176.6384 74 T 3.5477 8.4347 110.6706 63.5201 68.9359 173.8414 75 P 4.5954 0.0000 0.0000 62.8229 32.1714 174.8457 76 Y 4.5282 7.3306 117.0896 55.4199 39.9756 173.8610 77 P 4.4323 0.0000 0.0000 62.4964 32.3796 177.0451 78 N 4.3168 8.8661 118.0677 57.0856 37.9603 177.7536 79 T 3.9349 7.9061 116.4945 66.5733 68.6271 176.4390 80 K 4.1078 8.1134 121.1090 59.3634 32.2314 179.1212 81 V 3.7078 7.8878 118.2959 65.6856 31.4322 177.9777 82 I 4.1810 7.6680 119.9282 64.4739 37.0796 178.2286 83 E 4.0511 7.9866 117.8282 59.6164 29.4021 179.1275 84 L 4.0151 8.0949 120.1833 56.9727 41.7356 179.8017 85 G 3.7805 8.3854 105.9279 48.3142 0.0000 176.0814 86 T 3.9105 8.1087 118.7478 65.8871 68.2683 176.6438 87 K 3.8562 8.0614 121.7069 60.0492 31.9365 178.4798 88 H 4.1714 7.7251 114.9401 57.9529 28.6504 176.5557 89 F 4.5489 7.6770 117.6032 59.3613 39.7896 177.3770 90 L 4.2604 8.2880 118.6783 55.8283 41.8450 178.7530 91 G 3.9999 8.2753 104.7574 45.7560 0.0000 172.7725 92 R 4.6179 7.6995 117.9256 53.8994 32.6653 175.1742 93 A 4.4719 8.2459 124.4802 50.2761 19.6907 175.8359 94 P 4.5041 0.0000 0.0000 63.0877 31.4479 176.5046 95 I 3.8374 8.1015 122.0595 63.3077 37.8193 176.4624 96 D 5.0070 7.4580 116.1904 51.6958 45.9709 176.2159 97 Q 4.0061 8.5455 120.8214 59.0621 29.0137 177.8467 98 A 4.0108 8.4147 122.0909 54.7665 18.2494 179.1592 99 E 3.6748 8.0799 117.4858 59.4401 29.7294 178.8723 100 I 3.8352 7.6817 119.6717 64.6917 37.2229 178.6692 101 R 3.9390 7.9532 118.7643 58.8510 29.7742 179.1900 102 K 3.8728 7.8077 119.0420 59.8527 32.3764 178.5556 103 Y 4.5490 7.4237 116.8481 61.2376 37.7788 178.3004 104 N 4.3369 8.5940 118.1778 56.6370 39.0418 176.8340 105 Q 3.9732 8.1584 121.0213 59.1466 29.1793 178.1177 106 I 3.7295 7.9876 120.9026 64.3945 36.8245 178.1508 107 L 4.1443 8.0046 120.7643 58.0951 41.6310 178.9335 108 A 4.0280 7.9072 120.0424 55.5245 18.4255 179.1436 109 T 4.1172 7.8764 107.3037 64.6181 69.3339 177.0643 110 Q 4.1198 8.0278 122.2065 59.2336 29.5344 176.4700 111 G 3.9582 8.0565 103.8073 44.3113 0.0000 173.7396 112 I 3.6012 8.0879 118.5542 63.9446 37.8694 178.2800 113 R 3.3049 7.7046 118.4885 58.7603 29.8156 178.5850 114 A 4.0450 7.7910 120.1829 54.5592 18.4941 179.3019 115 F 4.0976 7.8750 119.4987 61.6015 39.5594 177.3194 116 I 3.0167 7.6556 119.3347 64.2976 36.9140 177.9449 117 N 4.3075 8.0452 117.0013 56.5771 38.5492 176.7769 118 A 3.9438 7.8785 122.2703 55.0518 18.2528 179.6560 119 L 3.6083 6.8983 116.1340 57.5962 41.6276 179.4816 120 V 2.6426 7.0429 117.2718 64.7086 31.4908 176.8642 121 N 4.7323 7.6812 113.5704 51.9250 39.1523 175.1655 122 S 4.2312 7.3459 117.7214 58.1749 63.2762 174.8772 123 Q 4.5814 8.9335 128.0777 58.5519 28.4875 178.7212 124 E 4.0584 8.2531 119.7592 59.4171 29.6497 178.0784 125 Y 4.0718 8.1771 119.6805 60.8487 39.0734 177.7983 126 N 4.4621 8.3180 117.8013 55.9245 37.3123 176.7511 127 E 3.9641 8.0828 119.1334 58.6228 29.7967 177.5129 128 V 3.6903 7.3185 117.2478 63.7004 32.9727 176.5350 129 F 4.5199 7.3927 120.3550 55.8501 38.0865 177.4379 130 G 3.9184 7.3087 113.3261 45.3665 0.0000 172.8610 131 E 4.6415 8.8324 122.9849 56.7329 29.8565 177.6431 132 D 4.5897 8.2053 119.0454 55.0772 42.6795 175.4722 133 T 4.7003 7.8728 114.5977 62.1304 69.8895 175.0002 134 V 3.8663 8.2715 126.4448 61.7043 32.3563 175.4484 135 P 2.9700 0.0000 0.0000 62.4561 28.8467 175.1987 136 Y 4.4070 6.7272 124.3604 56.3322 39.2819 176.4794 137 R 3.9143 8.3944 118.3525 56.9273 29.7420 176.8298 138 R 4.4357 8.4889 123.3289 56.5487 30.5221 175.8076 139 F 3.9909 7.8396 118.5907 55.9835 38.4705 174.6524 140 P 4.3901 0.0000 0.0000 64.3233 30.9925 177.4518 141 T 3.8177 7.1435 110.9932 59.4444 68.9843 176.4524 142 L 3.9078 8.3464 127.6228 54.6883 41.4544 174.6142 143 E 4.1094 8.1423 116.1751 56.5228 29.0716 175.6277 144 H 4.8810 8.0432 120.0823 55.2243 33.0309 174.2831 145 H 4.1621 9.0293 120.2933 57.0821 29.6416 174.1913 146 H 4.1438 7.8962 117.6343 56.8331 28.1919 174.0779 147 H 4.7697 7.8891 124.1468 53.8177 30.7607 174.4479 148 H 4.2595 8.5306 120.2741 56.7599 30.0892 174.5080 149 H 4.2984 8.5913 125.1119 56.3959 29.7171 174.5670 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 4.34 0.00 2.17 2.22 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 2.42 2.52 0.00 2 K 7.84 3.59 0.00 1.71 1.74 0.00 1.26 0.00 0.00 1.37 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 0.81 7.81 3 V 8.48 3.56 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 0.96 0.00 0.00 0.84 0.00 0.00 4 F 8.62 4.67 0.00 3.03 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 5 K 8.35 5.08 0.00 1.84 1.84 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.52 7.81 6 R 8.52 4.23 0.00 1.80 1.86 0.00 3.17 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 7 V 8.30 3.98 2.05 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 0.99 0.00 0.00 0.90 0.00 0.00 8 A 8.47 4.87 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 9 G 7.79 4.94 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 0.00 0.00 0.00 0.00 10 I 7.17 3.93 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.87 0.00 0.00 11 K 8.10 4.25 0.00 1.66 1.78 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.48 7.81 12 D 7.72 4.57 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 13 K 8.69 4.01 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.44 7.81 14 A 7.90 3.94 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 A 7.89 3.97 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 16 I 7.76 3.49 1.91 0.00 0.00 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 1.52 1.06 0.70 0.00 0.00 17 K 8.07 3.92 0.00 1.90 1.92 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 T 7.83 3.81 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 1.35 0.00 0.00 19 L 7.85 3.70 0.00 1.86 1.79 0.94 0.86 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 20 I 7.51 3.40 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.20 0.58 0.00 0.00 21 S 7.84 3.94 0.00 3.83 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 22 A 7.44 3.65 0.41 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 23 A 7.47 3.83 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 24 Y 7.45 4.36 0.00 3.06 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 25 R 7.70 4.47 0.00 1.86 1.95 0.00 3.29 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 26 Q 7.57 3.91 0.00 2.01 2.01 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 2.51 2.46 0.00 27 I 7.53 3.26 1.57 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 0.49 0.60 -0.37 0.00 0.00 28 F 8.34 4.23 0.00 3.14 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 29 E 8.34 4.35 0.00 2.10 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 0.00 2.22 2.30 0.00 30 R 7.94 4.04 0.00 2.00 2.04 0.00 3.25 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.74 0.00 31 D 8.58 4.39 0.00 2.65 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 32 I 8.12 3.96 1.25 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.47 0.45 0.00 0.00 33 A 8.21 3.85 0.53 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 34 P 0.00 4.25 0.00 2.23 2.18 0.00 3.59 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 35 Y 7.60 4.79 0.00 3.21 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 36 I 6.94 3.62 1.70 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 1.46 -0.27 0.77 0.00 0.00 37 A 7.92 4.11 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 38 Q 8.28 4.12 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 39 N 7.57 4.46 0.00 2.98 2.90 0.00 0.00 7.01 7.64 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 40 E 7.92 4.12 0.00 1.55 1.12 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 2.38 2.26 0.00 41 F 8.06 5.19 0.00 3.40 3.25 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 42 S 8.39 4.38 0.00 4.13 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 43 G 8.17 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 44 W 8.46 4.91 0.00 3.49 3.49 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 0.00 45 E 9.07 3.89 0.00 2.31 2.24 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 2.26 2.50 0.00 46 S 7.88 4.16 0.00 4.19 4.17 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 47 K 7.63 4.38 0.00 1.80 1.74 0.00 1.65 0.00 0.00 1.97 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.39 7.81 48 L 7.62 3.84 0.00 1.14 1.28 0.69 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.86 3.55 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 0.00 0.00 0.00 50 N 8.02 4.46 0.00 3.09 2.92 0.00 0.00 7.31 7.74 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 51 G 7.51 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 52 E 8.48 4.06 0.00 2.09 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 2.35 2.30 0.00 53 I 7.32 4.68 1.73 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 1.27 0.43 0.81 0.00 0.00 54 T 7.87 4.36 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 1.22 0.00 0.00 55 V 8.13 3.56 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 1.02 0.00 0.00 0.91 0.00 0.00 56 K 8.15 4.04 0.00 2.00 1.88 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.74 7.81 57 E 8.36 4.03 0.00 2.16 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 0.00 2.41 2.46 0.00 58 F 8.10 3.90 0.00 2.95 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 59 I 8.15 3.83 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 1.12 0.00 0.00 60 E 8.40 3.77 0.00 1.89 1.77 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 1.68 1.96 0.00 61 G 7.98 3.42 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 0.00 62 L 7.94 4.20 0.00 1.88 1.95 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.95 3.78 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 0.00 0.00 0.00 64 Y 7.44 4.64 0.00 2.99 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 65 S 7.60 4.26 0.00 4.39 4.33 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 66 N 8.94 4.50 0.00 2.90 2.83 0.00 0.00 6.84 6.69 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 67 L 7.71 4.01 0.00 1.98 2.04 0.97 0.68 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 68 Y 8.05 4.37 0.00 1.86 2.86 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 69 L 7.90 3.86 0.00 1.73 1.83 0.61 1.20 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 70 K 8.02 4.25 0.00 1.91 2.03 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.34 7.81 71 E 7.56 3.97 0.00 1.92 1.20 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 2.55 2.50 0.00 72 F 7.52 3.88 0.00 2.37 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 73 Y 7.72 5.02 0.00 2.76 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 74 T 8.43 3.55 4.16 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 1.30 0.00 0.00 75 P 0.00 4.60 0.00 2.17 2.18 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.10 0.00 76 Y 7.33 4.53 0.00 2.86 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 77 P 0.00 4.43 0.00 2.22 2.15 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 78 N 8.87 4.32 0.00 2.82 2.89 0.00 0.00 7.02 7.06 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 79 T 7.91 3.93 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 80 K 8.11 4.11 0.00 2.00 2.15 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.76 1.80 7.81 81 V 7.89 3.71 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 0.98 0.00 0.00 1.20 0.00 0.00 82 I 7.67 4.18 2.23 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 1.86 0.78 1.23 0.00 0.00 83 E 7.99 4.05 0.00 2.26 2.28 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 2.37 2.52 0.00 84 L 8.09 4.02 0.00 1.81 1.53 1.05 0.88 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 85 G 8.39 3.78 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 0.00 0.00 0.00 86 T 8.11 3.91 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 1.30 0.00 0.00 87 K 8.06 3.86 0.00 1.93 1.84 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 88 H 7.73 4.17 0.00 2.91 2.79 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.68 4.55 0.00 2.90 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 90 L 8.29 4.26 0.00 1.86 1.99 0.97 1.07 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 91 G 8.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.62 0.00 1.82 1.86 0.00 3.31 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 93 A 8.25 4.47 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 94 P 0.00 4.50 0.00 2.30 2.25 0.00 3.84 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 2.10 0.00 95 I 8.10 3.84 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 0.93 0.00 0.00 96 D 7.46 5.01 0.00 2.74 2.48 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 97 Q 8.55 4.01 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 98 A 8.41 4.01 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 99 E 8.08 3.67 0.00 2.04 2.22 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 2.51 2.37 0.00 100 I 7.68 3.84 2.11 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 1.63 0.70 0.98 0.00 0.00 101 R 7.95 3.94 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 102 K 7.81 3.87 0.00 1.72 1.63 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 103 Y 7.42 4.55 0.00 3.16 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 0.00 104 N 8.59 4.34 0.00 2.96 3.01 0.00 0.00 6.84 6.50 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 0.00 105 Q 8.16 3.97 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 106 I 7.99 3.73 2.06 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 1.46 0.66 1.00 0.00 0.00 107 L 8.00 4.14 0.00 1.73 1.84 0.72 0.68 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 0.00 108 A 7.91 4.03 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 0.00 109 T 7.88 4.12 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 1.26 0.00 0.00 110 Q 8.03 4.12 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 111 G 8.06 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 0.00 0.00 0.00 112 I 8.09 3.60 1.26 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.10 0.71 0.00 0.00 113 R 7.70 3.30 0.00 1.50 1.02 0.00 2.62 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.33 0.00 114 A 7.79 4.05 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 0.00 115 F 7.87 4.10 0.00 3.00 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 0.00 116 I 7.66 3.02 2.01 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.55 0.44 0.00 0.00 117 N 8.05 4.31 0.00 3.01 2.97 0.00 0.00 7.51 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.88 3.94 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 0.00 119 L 6.90 3.61 0.00 0.96 1.31 0.21 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.04 2.64 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 0.54 0.00 0.00 -0.01 0.00 0.00 121 N 7.68 4.73 0.00 2.84 2.81 0.00 0.00 7.18 7.17 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 0.00 122 S 7.35 4.23 0.00 3.96 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 0.00 123 Q 8.93 4.58 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 E 8.25 4.06 0.00 2.07 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 2.45 2.38 0.00 125 Y 8.18 4.07 0.00 3.26 3.19 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 0.00 0.00 0.00 0.00 126 N 8.32 4.46 0.00 3.01 3.18 0.00 0.00 5.90 7.68 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 0.00 127 E 8.08 3.96 0.00 2.13 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 2.59 2.23 0.00 128 V 7.32 3.69 1.70 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 -0.25 0.00 0.00 0.77 0.00 0.00 129 F 7.39 4.52 0.00 2.06 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 0.00 0.00 0.00 130 G 7.31 3.92 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 0.00 0.00 0.00 131 E 8.83 4.64 0.00 2.16 2.22 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 2.36 2.25 0.00 132 D 8.21 4.59 0.00 2.71 2.87 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 0.00 133 T 7.87 4.70 4.29 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 1.45 0.00 0.00 134 V 8.27 3.87 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 0.62 0.00 0.00 0.96 0.00 0.00 135 P 0.00 2.97 0.00 2.00 1.84 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 136 Y 6.73 4.41 0.00 2.94 2.94 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 0.00 137 R 8.39 3.91 0.00 1.90 1.96 0.00 3.27 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 138 R 8.49 4.44 0.00 1.97 2.21 0.00 3.82 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 139 F 7.84 3.99 0.00 3.30 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 0.00 140 P 0.00 4.39 0.00 2.24 2.23 0.00 4.03 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 2.09 2.04 0.00 141 T 7.14 3.82 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 1.21 0.00 0.00 142 L 8.35 3.91 0.00 1.89 1.95 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.14 4.11 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 2.42 2.22 0.00 144 H 8.04 4.88 0.00 3.24 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 9.03 4.16 0.00 3.31 3.49 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.90 4.14 0.00 3.18 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 7.89 4.77 0.00 3.12 3.19 0.00 5.76 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 0.00 148 H 8.53 4.26 0.00 3.07 3.23 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.59 4.30 0.00 3.10 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 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