NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2798 8.2649 123.5827 51.5473 19.2474 175.5268 2 P 4.3082 0.0000 0.0000 62.7091 32.1306 170.9252 3 V 4.3930 8.0602 113.2169 59.6798 35.4142 175.7041 4 R 4.2058 8.6514 123.5151 56.5759 30.0760 176.2145 5 S 4.7597 8.1034 119.5715 57.4150 65.9550 172.8858 6 L 4.3468 8.4035 118.9200 54.2668 45.6903 173.5386 7 N 5.8560 8.8519 123.1478 52.5932 40.2794 173.7558 8 C 5.0793 8.3869 116.0788 57.9218 33.5501 172.2849 9 T 5.2952 8.7159 109.1612 59.9743 70.8155 173.5266 10 L 4.9797 8.8690 126.1701 54.2225 43.3190 176.3271 11 R 4.8566 8.6358 117.4066 55.1316 33.3246 175.3140 12 D 5.4708 8.7192 121.8379 52.7534 41.5606 176.8692 13 S 4.1527 8.5924 113.9729 61.6238 62.8349 174.9485 14 Q 4.5067 8.0281 117.5803 55.9860 28.8532 176.9242 15 Q 3.8508 7.9708 116.0224 55.9900 28.1903 174.4262 16 K 3.9367 7.7899 118.4530 56.9050 33.3819 177.4406 17 S 4.7592 8.6863 120.7433 57.9757 65.4268 173.1544 18 L 5.3290 8.3301 121.3891 53.1670 42.7277 174.5602 19 V 4.5841 8.2526 123.4939 59.4780 34.2056 175.4499 20 M 4.4717 8.4009 122.4424 55.3020 33.1969 176.5351 21 S 4.8022 7.8906 115.4214 57.2758 66.5552 174.0514 22 G 4.4764 7.6967 110.3925 46.2034 0.0000 170.0883 23 P 4.6089 0.0000 0.0000 62.7442 31.9611 176.7185 24 Y 4.5167 8.2266 114.8150 57.2632 38.5579 174.3048 25 E 4.4906 7.1009 118.4707 55.7781 33.5028 173.7023 26 L 5.0059 7.9484 119.2519 53.0985 45.9672 175.6689 27 K 4.9773 8.8727 118.5706 54.8071 37.1151 175.7173 28 A 5.6071 8.5520 122.9669 49.2334 20.9484 175.1742 29 L 4.7360 8.0790 120.2115 55.1573 45.0166 174.9897 30 H 4.8293 8.1379 117.0742 55.2364 29.1212 175.4613 31 L 4.3819 8.4495 124.2990 53.2220 42.8007 176.9048 32 Q 4.1906 8.6671 122.7507 55.6972 29.1980 178.0031 33 G 3.6751 8.8089 107.7175 49.3310 0.0000 175.4858 34 Q 4.4102 8.0080 115.4058 56.1360 28.4187 176.0238 35 D 4.9073 7.8493 115.0853 54.0090 42.8972 176.5237 36 M 4.1775 7.9682 120.8580 58.6687 31.9481 178.0313 37 E 4.3167 7.9616 116.8036 56.6218 29.6195 177.0297 38 Q 4.1664 7.9344 121.0389 57.1456 29.5825 176.3049 39 Q 4.1261 7.8898 116.0363 55.8935 28.9710 176.5052 40 V 3.7019 8.1100 116.2010 61.6937 32.3927 175.7884 41 V 4.4633 8.0013 122.5186 60.0177 34.1407 174.3108 42 F 4.6274 9.7801 123.3559 56.2136 41.5309 175.4448 43 S 4.9017 9.3883 120.5505 57.5569 63.3734 172.2091 44 M 4.8777 9.1279 126.3635 54.3641 33.7261 174.9694 45 S 4.4811 9.2378 120.1477 56.4324 67.1061 173.0374 46 F 5.1198 7.5413 122.0110 57.5223 38.4422 175.6322 47 V 3.8075 8.5415 124.2619 62.1332 32.8309 175.1182 48 Q 3.6462 7.9876 119.0784 56.8779 26.2904 173.3106 49 G 3.7556 7.9147 107.8712 48.1363 0.0000 172.8170 50 E 4.5899 7.6267 117.3959 55.1418 32.5107 174.3356 51 E 4.2564 8.3318 125.6624 55.8968 29.4694 176.2942 52 S 4.6599 7.9147 114.0241 57.8450 64.9583 177.4739 53 N 4.5477 8.9610 124.2346 56.4183 38.6340 176.5446 54 D 4.4228 7.4917 114.9004 56.8098 41.1914 176.1830 55 K 4.4929 7.8190 117.0702 55.2205 33.7666 175.7583 56 I 4.3805 8.1190 126.2186 58.7257 39.3070 173.4218 57 P 4.9958 0.0000 0.0000 62.9420 32.5488 176.2280 58 V 4.9983 11.1300 117.0746 59.9427 36.4754 173.7601 59 A 5.2815 9.1817 127.7512 50.3012 21.0035 175.6598 60 L 5.3108 8.7249 121.9071 54.0244 43.9201 175.7637 61 G 3.6415 8.9724 108.3685 43.9617 0.0000 171.3501 62 L 4.4948 7.8812 121.1219 54.1197 41.8739 177.7249 63 K 4.2068 8.3481 123.5984 56.0646 34.6310 176.5938 64 E 3.8431 8.8310 115.7464 56.8143 28.4998 173.9036 65 K 4.6101 7.4972 115.7747 55.9357 36.0821 175.7101 66 N 4.8860 8.4807 115.0810 53.1925 39.3201 174.9503 67 L 4.5335 7.3857 119.4581 54.7960 43.4315 175.5191 68 Y 4.9660 8.4101 119.2998 56.1967 42.1932 174.6261 69 L 4.7687 8.0838 125.3242 55.6896 42.0197 176.3341 70 S 4.7890 8.9426 114.7317 57.3079 66.6600 172.5790 71 C 5.2678 8.2194 117.3414 57.4578 30.9968 173.2139 72 V 4.6445 8.6329 120.0311 60.6236 35.0435 173.6906 73 L 4.5527 8.5935 122.6277 53.8489 41.6298 177.1709 74 K 4.1291 8.3945 125.1240 55.9252 30.7710 176.8505 75 D 4.2647 8.6019 127.6843 55.4843 37.3197 174.5933 76 D 4.4782 8.1991 111.3439 54.8725 38.6205 174.0423 77 K 4.2332 7.3081 119.9229 53.7796 34.9295 174.1084 78 P 4.1247 0.0000 0.0000 63.7571 31.8766 175.7947 79 T 4.7946 9.0344 119.5920 61.7323 72.9908 172.7513 80 L 4.8989 8.7987 128.1246 54.6667 43.1227 175.6508 81 Q 4.6282 8.9299 122.9096 54.7584 32.7288 173.9028 82 L 4.6607 8.5084 120.9443 53.6182 42.6619 175.4990 83 E 4.5309 8.2273 124.4212 54.7587 31.3226 176.6483 84 S 4.7640 8.6096 119.0412 58.4986 63.7462 172.7094 85 V 4.5339 7.6384 115.0284 59.6115 36.0935 174.8713 86 D 4.5366 8.8728 122.0872 53.8842 40.6197 176.0896 87 P 4.4635 0.0000 0.0000 65.1089 31.8016 178.3907 88 K 4.1622 8.2262 117.1725 59.7230 32.2667 178.1338 89 N 4.3059 8.2783 114.2555 56.2194 38.6369 175.4816 90 Y 4.3911 7.4853 113.9972 56.1055 39.1587 173.7175 91 P 4.7065 0.0000 0.0000 62.6562 32.2048 176.0685 92 K 4.5211 7.9359 117.6557 55.4774 35.0978 175.9775 93 K 4.2832 8.3603 120.3207 56.0197 33.0393 176.2493 94 K 3.8361 8.1083 115.6013 57.3899 30.1517 175.8091 95 M 4.0283 7.9950 116.1200 54.9443 33.0667 175.1249 96 E 3.6907 8.5312 123.8808 56.6692 29.8179 177.9276 97 K 4.2069 8.4712 123.9175 58.2686 33.2377 178.1512 98 R 3.9149 7.9136 119.7529 59.0450 30.2012 177.8078 99 F 4.6975 8.6778 114.4427 57.6485 39.1844 175.5717 100 V 4.3046 7.1425 121.8525 61.7003 32.9921 174.5641 101 F 5.1988 9.0262 124.9261 55.6554 43.5729 173.7062 102 N 5.4800 9.0122 117.8470 50.7809 39.5254 173.7195 103 K 4.4275 9.1578 125.0901 57.0058 34.1025 176.3825 104 I 4.4189 8.6485 126.8127 59.9316 37.5739 173.3681 105 E 4.8816 8.4347 127.5765 54.3446 31.5312 175.1929 106 I 4.3338 8.4667 127.2618 60.6243 41.0296 174.8575 107 N 3.9973 9.6316 125.5824 54.9672 36.7803 174.0722 108 N 4.1705 7.9787 111.0111 53.7502 37.7085 174.5829 109 K 4.8245 7.7290 118.9638 54.3759 34.4679 175.3063 110 L 5.0690 8.9296 125.1359 54.0095 43.8351 175.8701 111 E 4.6718 8.7817 121.4723 54.9868 32.7970 175.1741 112 F 5.2040 8.5399 118.2214 55.8014 41.9498 174.2333 113 E 4.1762 8.9283 124.2023 55.6910 31.0947 175.2275 114 S 4.8281 8.5988 119.8237 57.7986 62.8530 173.9633 115 A 4.0328 8.0919 128.9219 55.5444 18.0526 178.6679 116 Q 3.6975 7.9789 114.6824 58.5931 29.2309 176.6360 117 F 4.9948 7.3669 121.2777 54.7215 39.4741 173.3531 118 P 4.5769 0.0000 0.0000 63.7311 31.7330 176.2384 119 N 4.3142 8.9044 116.3636 53.8478 36.6569 174.0981 120 W 5.1445 7.6604 116.6416 55.2155 32.7677 174.0791 121 Y 5.4049 10.1637 122.4837 55.7472 41.5435 175.2104 122 I 4.2158 8.3047 123.6435 62.3919 37.7985 175.6046 123 S 4.9109 9.3628 122.1717 57.4938 68.1395 172.5341 124 T 4.8218 8.2578 114.1029 60.7662 70.9231 173.6742 125 S 4.8378 8.8959 122.0443 57.9634 64.3410 173.8973 126 Q 4.1494 8.4844 118.1305 57.4577 28.9504 176.5276 127 A 4.1782 7.2784 118.9487 52.3361 18.4195 176.6698 128 E 4.2482 8.1242 118.3090 59.0628 30.1272 178.3710 129 N 4.5394 7.8907 117.6229 55.3771 39.5060 175.7585 130 M 4.2390 8.1162 118.3432 55.2463 33.0100 174.4956 131 P 5.5179 0.0000 0.0000 62.1871 32.6650 176.0793 132 V 4.1291 8.2689 121.0888 63.2556 32.2727 174.9225 133 F 5.1146 8.4656 120.7477 55.2414 41.7142 173.1023 134 L 4.7242 8.9529 122.5814 55.4114 42.4195 176.2940 135 G 4.5695 10.2113 113.2746 44.8582 0.0000 173.5216 136 G 2.4168 8.7520 111.1151 45.5905 0.0000 173.6233 137 T 4.2546 7.6046 114.5239 60.1469 67.1375 173.2388 138 K 4.2383 8.3924 129.6508 55.6585 33.9415 176.3052 139 G 3.8329 8.0030 113.9260 46.3153 0.0000 174.0173 140 G 4.1853 6.7696 109.1637 45.3623 0.0000 177.5368 141 Q 4.1362 8.8271 123.1924 57.4681 28.9706 175.5352 142 D 5.0135 7.7558 116.6118 52.4522 42.8939 175.8838 143 I 3.9201 8.8672 124.8268 61.1418 37.6397 176.7563 144 T 4.0279 8.2410 115.7756 62.5535 69.9539 174.5810 145 D 4.6021 7.1710 119.9498 51.6092 41.4902 175.6649 146 F 5.0566 8.7006 118.7568 56.0540 44.0895 173.1632 147 T 4.9639 9.0166 113.4290 60.8286 70.1758 172.6100 148 M 5.1052 8.7252 125.7410 53.8319 33.9237 175.1448 149 Q 4.5019 8.6385 120.0135 53.8371 31.5222 175.4683 150 F 5.2193 8.5487 123.1599 58.0934 39.8974 174.5279 151 V 4.7906 8.3175 120.2076 60.2947 35.1642 175.5680 152 S 4.2319 8.3762 114.1312 58.5616 63.1070 173.8079 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 A 8.26 4.28 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 2 P 0.00 4.31 0.00 2.13 1.94 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 3 V 8.06 4.39 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 0.75 0.00 0.00 0.95 0.00 0.00 4 R 8.65 4.21 0.00 1.89 1.96 0.00 3.15 0.00 0.00 3.46 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 5 S 8.10 4.76 0.00 3.87 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 6 L 8.40 4.35 0.00 1.46 1.30 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.85 5.86 0.00 2.77 2.71 0.00 0.00 7.16 7.66 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 8 C 8.39 5.08 0.00 3.34 3.39 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 9 T 8.72 5.30 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 1.28 0.00 0.00 10 L 8.87 4.98 0.00 1.36 1.45 0.22 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.64 4.86 0.00 2.01 1.99 0.00 2.78 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 12 D 8.72 5.47 0.00 3.12 3.30 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 13 S 8.59 4.15 0.00 3.82 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 14 Q 8.03 4.51 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 5.91 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 15 Q 7.97 3.85 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 16 K 7.79 3.94 0.00 2.08 1.68 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.10 1.16 7.81 17 S 8.69 4.76 0.00 3.88 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 18 L 8.33 5.33 0.00 1.81 1.53 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.25 4.58 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 0.67 0.00 0.00 0.95 0.00 0.00 20 M 8.40 4.47 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 21 S 7.89 4.80 0.00 3.76 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 22 G 7.70 4.48 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 0.00 0.00 0.00 23 P 0.00 4.61 0.00 2.07 2.06 0.00 3.72 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 2.03 2.06 0.00 24 Y 8.23 4.52 0.00 3.09 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 25 E 7.10 4.49 0.00 1.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.61 0.00 26 L 7.95 5.01 0.00 1.51 1.48 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.87 4.98 0.00 1.63 1.62 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.32 7.81 28 A 8.55 5.61 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 29 L 8.08 4.74 0.00 1.68 1.87 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.14 4.83 0.00 3.18 3.31 0.00 5.84 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 31 L 8.45 4.38 0.00 1.64 1.61 0.91 0.99 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 32 Q 8.67 4.19 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 33 G 8.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.01 4.41 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 35 D 7.85 4.91 0.00 2.63 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 36 M 7.97 4.18 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.82 0.00 37 E 7.96 4.32 0.00 1.90 1.91 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 2.27 2.33 0.00 38 Q 7.93 4.17 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 39 Q 7.89 4.13 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 40 V 8.11 3.70 1.59 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 0.55 0.00 0.00 0.39 0.00 0.00 41 V 8.00 4.46 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 0.83 0.00 0.00 0.97 0.00 0.00 42 F 9.78 4.63 0.00 3.01 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 43 S 9.39 4.90 0.00 3.82 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 44 M 9.13 4.88 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 45 S 9.24 4.48 0.00 3.78 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 46 F 7.54 5.12 0.00 3.18 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 47 V 8.54 3.81 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 0.99 0.00 0.00 1.01 0.00 0.00 48 Q 7.99 3.65 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 49 G 7.91 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 50 E 7.63 4.59 0.00 1.90 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 2.18 2.25 0.00 51 E 8.33 4.26 0.00 2.02 1.86 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 2.34 2.28 0.00 52 S 7.91 4.66 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.96 4.55 0.00 2.73 2.86 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 54 D 7.49 4.42 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.82 4.49 0.00 1.67 1.80 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 56 I 8.12 4.38 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.86 0.00 0.00 57 P 0.00 5.00 0.00 2.28 2.06 0.00 3.60 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 58 V 11.13 5.00 2.33 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 1.28 0.00 0.00 1.31 0.00 0.00 59 A 9.18 5.28 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 60 L 8.72 5.31 0.00 1.62 1.65 -0.09 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.97 3.64 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 62 L 7.88 4.49 0.00 1.32 1.32 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.35 4.21 0.00 1.78 1.85 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.34 7.81 64 E 8.83 3.84 0.00 2.19 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 0.00 2.11 2.25 0.00 65 K 7.50 4.61 0.00 1.74 1.62 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.42 7.81 66 N 8.48 4.89 0.00 2.75 2.85 0.00 0.00 6.83 6.74 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 67 L 7.39 4.53 0.00 1.44 1.47 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.41 4.97 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.08 4.77 0.00 1.71 1.65 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.94 4.79 0.00 3.80 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 71 C 8.22 5.27 0.00 2.87 3.08 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 72 V 8.63 4.64 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 0.67 0.00 0.00 0.99 0.00 0.00 73 L 8.59 4.55 0.00 1.50 1.63 1.09 0.71 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 74 K 8.39 4.13 0.00 1.69 1.79 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.47 7.81 75 D 8.60 4.26 0.00 2.94 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 76 D 8.20 4.48 0.00 2.78 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 77 K 7.31 4.23 0.00 1.75 1.55 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 P 0.00 4.12 0.00 0.95 1.62 0.00 2.35 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 9.03 4.79 4.36 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 1.27 0.00 0.00 80 L 8.80 4.90 0.00 1.89 1.68 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.93 4.63 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 82 L 8.51 4.66 0.00 1.63 1.63 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.23 4.53 0.00 1.58 1.86 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 2.27 2.20 0.00 84 S 8.61 4.76 0.00 3.89 3.79 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 85 V 7.64 4.53 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 0.00 0.00 0.39 0.00 0.00 0.72 0.00 0.00 86 D 8.87 4.54 0.00 3.01 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 87 P 0.00 4.46 0.00 2.09 2.28 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.33 0.00 88 K 8.23 4.16 0.00 1.77 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 89 N 8.28 4.31 0.00 2.04 2.43 0.00 0.00 6.89 7.46 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 90 Y 7.49 4.39 0.00 2.80 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 91 P 0.00 4.71 0.00 2.10 2.11 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 92 K 7.94 4.52 0.00 1.64 1.63 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 1.30 7.81 93 K 8.36 4.28 0.00 1.76 1.83 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.45 7.81 94 K 8.11 3.84 0.00 1.79 1.81 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 95 M 8.00 4.03 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 96 E 8.53 3.69 0.00 1.63 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 2.19 2.16 0.00 97 K 8.47 4.21 0.00 1.82 1.85 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.40 7.81 98 R 7.91 3.91 0.00 2.16 2.27 0.00 3.19 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 99 F 8.68 4.70 0.00 2.97 3.08 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 0.00 100 V 7.14 4.30 1.99 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 1.00 0.00 0.00 1.00 0.00 0.00 101 F 9.03 5.20 0.00 3.34 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 0.00 102 N 9.01 5.48 0.00 2.93 3.03 0.00 0.00 7.05 6.42 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 0.00 103 K 9.16 4.43 0.00 1.60 2.28 0.00 1.38 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.75 1.47 7.81 104 I 8.65 4.42 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.91 0.00 0.00 105 E 8.43 4.88 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 2.16 2.24 0.00 106 I 8.47 4.33 1.81 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 1.15 1.18 0.87 0.00 0.00 107 N 9.63 4.00 0.00 2.77 2.77 0.00 0.00 7.26 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 0.00 108 N 7.98 4.17 0.00 2.85 2.87 0.00 0.00 7.10 7.61 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 0.00 109 K 7.73 4.82 0.00 1.79 1.61 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.30 7.81 110 L 8.93 5.07 0.00 1.30 1.56 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.78 4.67 0.00 1.85 1.82 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 1.96 2.06 0.00 112 F 8.54 5.20 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.93 4.18 0.00 2.19 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 0.00 2.11 1.47 0.00 114 S 8.60 4.83 0.00 4.16 4.20 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 0.00 115 A 8.09 4.03 1.22 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 0.00 0.00 0.00 116 Q 7.98 3.70 0.00 1.69 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.90 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 117 F 7.37 4.99 0.00 3.11 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.58 0.00 2.14 2.04 0.00 3.96 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 119 N 8.90 4.31 0.00 2.96 2.91 0.00 0.00 6.72 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 0.00 120 W 7.66 5.14 0.00 3.67 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 0.00 121 Y 10.16 5.40 0.00 2.95 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 0.00 122 I 8.30 4.22 2.05 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 0.99 0.18 0.84 0.00 0.00 123 S 9.36 4.91 0.00 2.88 3.43 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 0.00 124 T 8.26 4.82 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 1.50 0.00 0.00 125 S 8.90 4.84 0.00 4.14 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 0.00 126 Q 8.48 4.15 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 127 A 7.28 4.18 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 0.00 128 E 8.12 4.25 0.00 2.00 1.97 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 2.35 2.36 0.00 129 N 7.89 4.54 0.00 2.71 2.89 0.00 0.00 6.88 7.66 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 0.00 130 M 8.12 4.24 0.00 2.00 2.11 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 2.74 2.56 0.00 131 P 0.00 5.52 0.00 2.13 2.03 0.00 3.41 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.82 0.00 132 V 8.27 4.13 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 0.88 0.00 0.00 133 F 8.47 5.11 0.00 3.17 3.15 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 0.00 0.00 0.00 0.00 134 L 8.95 4.72 0.00 2.02 1.94 1.53 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 G 10.21 4.57 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 0.00 0.00 0.00 136 G 8.75 2.42 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 0.00 137 T 7.60 4.25 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 1.21 0.00 0.00 138 K 8.39 4.24 0.00 1.64 1.47 0.00 1.48 0.00 0.00 1.24 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 0.71 7.81 139 G 8.00 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 0.00 0.00 0.00 140 G 6.77 4.19 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 0.00 0.00 0.00 141 Q 8.83 4.14 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 142 D 7.76 5.01 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.87 3.92 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.66 0.00 0.00 144 T 8.24 4.03 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 1.05 0.00 0.00 145 D 7.17 4.60 0.00 2.46 2.43 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 0.00 146 F 8.70 5.06 0.00 2.95 3.16 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 0.00 147 T 9.02 4.96 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 1.28 0.00 0.00 148 M 8.73 5.11 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 149 Q 8.64 4.50 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 150 F 8.55 5.22 0.00 2.95 2.90 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 0.00 151 V 8.32 4.79 2.15 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 0.75 0.00 0.00 0.96 0.00 0.00 152 S 8.38 4.23 0.00 3.94 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