NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3244 8.4444 121.4722 56.0568 30.8828 174.6937 3 S 4.4946 8.2296 119.8177 55.1149 65.9184 172.9304 4 K 3.9942 8.5786 128.2469 59.3719 33.2258 178.0298 5 R 4.0696 7.9613 113.8641 57.7230 29.6670 177.0021 6 N 4.8577 7.9865 115.4691 52.8860 38.9034 174.2272 7 K 4.4822 7.7294 120.2342 54.2897 33.2800 174.6342 8 P 4.7577 0.0000 0.0000 63.4036 32.2203 175.4318 9 G 4.0343 8.4823 108.6691 45.7278 0.0000 171.7307 10 K 5.0820 8.3126 118.9466 54.4111 33.9222 176.8943 11 A 4.6691 8.7670 126.5629 52.4358 19.8998 176.5900 12 T 4.8473 8.9777 110.6961 60.1253 73.1296 173.3772 13 G 4.2203 9.0392 107.6871 45.2521 0.0000 173.5184 14 K 4.1799 9.3869 117.7359 55.4320 33.5409 178.6588 15 G 4.2614 8.2378 107.0929 44.7661 0.0000 172.5379 16 K 4.6754 8.0498 116.1230 53.6401 36.2323 174.2234 17 P 4.6995 0.0000 0.0000 62.9645 31.7361 176.4839 18 V 4.5912 8.0819 114.8881 59.5079 35.8126 175.4717 19 G 4.5041 8.0506 110.2054 44.4792 0.0000 173.5057 20 D 4.8532 8.6821 117.5787 56.5956 41.1386 177.2682 21 K 4.5111 8.1134 116.3520 55.6349 32.2757 178.0911 22 W 4.5764 7.9331 129.0066 61.3394 30.9494 177.6532 23 L 3.4425 7.8046 117.8300 57.0512 41.2552 178.9957 24 D 4.4276 8.0830 118.9263 57.4993 40.9173 178.2260 25 D 4.5304 8.4481 118.9624 56.8778 40.7534 178.4409 26 A 4.4818 7.8983 121.0712 54.0895 18.0106 178.6334 27 G 3.8880 7.5465 104.8781 45.1918 0.0000 173.5503 28 K 4.7172 7.6709 118.1996 55.0453 37.1778 177.9797 29 D 4.1849 8.2494 120.6994 56.4463 39.7387 175.0401 30 S 4.4214 8.8717 123.8278 59.3040 62.6842 174.2249 31 G 3.8930 8.3234 107.5903 44.5822 0.0000 172.8605 32 A 4.6877 8.6193 120.5231 50.3351 20.1795 175.7946 33 P 4.8336 0.0000 0.0000 62.2693 33.1003 176.0108 34 I 4.0134 8.2889 121.4286 60.5008 38.2603 174.3049 35 P 4.4823 0.0000 0.0000 62.4738 31.9841 176.8508 36 D 4.9676 8.7034 124.6573 56.2857 39.0060 179.5306 37 R 3.8429 7.7583 118.6058 59.0656 30.0646 178.9678 38 I 3.6691 7.4559 118.8296 64.1356 37.2534 177.9413 39 A 4.0301 7.9968 121.6397 55.4574 17.9265 179.3279 40 D 4.3267 7.9905 116.2915 57.5771 40.9447 178.9367 41 K 4.1513 7.4361 117.2614 58.5637 32.4884 178.5617 42 L 4.5528 7.8058 118.2669 54.6551 42.4027 177.0731 43 R 4.2891 7.4490 117.8558 58.0130 30.3667 176.8683 44 D 4.6442 9.0966 120.8267 54.3758 39.9314 174.6268 45 K 4.0682 7.7432 119.6913 56.1032 33.2657 175.6563 46 E 4.6099 8.1805 124.6719 55.1057 31.0654 175.1270 47 F 4.9100 8.6536 124.7168 55.6142 42.1356 176.6454 48 K 4.1847 9.1276 121.6126 58.7141 32.7430 177.3476 49 S 5.0467 7.7175 113.4357 57.1743 66.4235 175.6596 50 F 4.1432 9.2087 124.9658 61.5519 39.0241 176.9226 51 D 4.4214 8.3571 118.1159 57.5711 40.7531 178.3959 52 D 4.4420 8.2741 119.3267 57.2755 40.8516 178.5824 53 F 2.9495 8.0384 120.7834 60.7354 39.4285 176.9458 54 R 3.3927 7.7713 118.6759 59.2537 29.8215 178.1938 55 K 4.2962 8.1531 120.2793 59.0322 32.1799 178.5066 56 A 4.0870 7.6822 120.6443 54.9166 18.2372 179.6757 57 V 3.0654 7.0496 116.6559 65.9736 31.5222 178.4569 58 W 4.5529 7.5363 118.0255 59.7623 28.6998 178.4018 59 E 4.1663 8.4552 118.7617 59.5695 28.6520 179.2946 60 E 3.9661 8.0890 117.7734 59.1166 29.6727 179.1049 61 V 3.7569 7.8786 118.4918 66.1823 31.4673 177.9406 62 S 4.1732 8.2853 112.7497 61.2992 61.9753 175.8741 63 K 4.3671 7.6574 119.3334 56.4788 32.2894 176.1702 64 D 4.6958 7.5929 119.8248 51.7938 41.2464 174.9706 65 P 4.3766 0.0000 0.0000 65.3316 31.0249 178.1569 66 E 3.9990 8.1169 117.7934 58.9737 29.1533 178.5837 67 L 4.3726 7.9284 118.4842 57.0676 42.1756 178.8993 68 S 4.1285 8.5498 114.3724 60.4314 62.9991 176.4400 69 K 4.1235 7.7872 120.8519 59.4950 32.4942 177.2613 70 N 4.8353 7.9055 116.5392 53.0115 38.4309 174.1090 71 L 4.8520 7.7579 118.4870 52.5537 44.5197 176.8605 72 N 4.7509 8.4054 120.1614 51.4662 40.0120 174.2711 73 P 4.2365 0.0000 0.0000 66.1511 31.3855 179.1357 74 S 4.1742 7.9719 113.2445 61.6269 62.8622 176.3222 75 N 4.5197 8.1464 118.7554 56.0094 38.3327 177.4520 76 K 4.0195 8.4591 120.5262 59.5155 32.1246 179.3433 77 S 4.1105 8.2295 115.4231 61.6041 62.7711 176.6338 78 S 4.2749 7.9764 115.1893 61.8003 62.1753 176.8382 79 V 4.2003 8.1558 116.2924 63.5856 31.0174 178.7065 80 S 4.2275 7.8223 114.9352 60.3316 62.8417 175.7720 81 K 4.0707 7.2925 118.2344 55.7715 31.9330 177.5320 82 G 3.9809 8.0260 108.3996 45.9555 0.0000 172.8129 83 Y 4.7504 7.4056 117.2862 56.7707 39.5852 175.2189 84 S 2.7900 8.2663 117.2271 56.9947 63.3583 172.0952 85 P 4.5737 0.0000 0.0000 62.5087 32.7740 175.2755 86 F 4.5544 9.4390 121.1006 57.5903 39.5315 175.8181 87 T 4.0464 8.0588 113.5344 59.7142 70.3629 172.7203 88 P 4.2687 0.0000 0.0000 62.7107 32.2463 177.2803 89 K 3.7886 8.9519 122.9712 59.9494 31.9597 178.3802 90 N 4.5492 8.1056 112.6890 55.0517 38.7518 175.4338 91 Q 4.4023 8.0467 116.8842 55.7157 29.6312 175.4701 92 Q 4.4788 7.6611 117.6942 55.0568 29.8536 176.0299 93 V 4.1897 8.1759 120.3443 61.5550 33.8364 176.0736 94 G 3.7169 8.3428 119.7350 47.0119 0.0000 173.9472 95 G 3.6783 8.8364 113.4291 45.9638 0.0000 173.2635 96 R 4.3135 7.9272 120.7972 54.8735 29.5555 176.6691 97 K 4.4836 8.2562 121.0766 55.5433 34.2573 176.2978 98 V 4.4509 6.9971 110.7718 58.7901 34.8252 175.0607 99 Y 4.3056 7.9152 119.9895 58.5059 38.5401 175.8337 100 E 4.9251 9.5479 122.2162 54.6028 32.9929 175.0271 101 L 5.0337 8.7940 123.6626 54.2739 43.1703 175.4852 102 H 4.9677 9.2097 123.5221 54.6005 32.9075 171.9475 103 H 4.7964 8.6556 122.8364 55.1446 28.9463 174.6892 104 D 4.3042 9.0019 124.6880 56.7676 41.7484 176.3100 105 K 4.3832 8.7000 121.2512 53.6916 33.2686 173.7812 106 P 4.3616 0.0000 0.0000 62.7330 32.1680 177.3601 107 I 3.8593 8.5674 122.4525 63.8903 37.1336 178.3822 108 S 4.2608 7.9512 112.7271 60.1916 63.0271 174.5685 109 Q 4.4622 8.0597 119.1400 55.7376 28.8266 176.4010 110 G 3.9617 8.1417 107.7261 44.8436 0.0000 175.0765 111 G 3.9220 7.9027 108.9036 44.8836 0.0000 172.9411 112 E 4.1538 8.4211 121.9442 55.7302 30.3557 177.4948 113 V 3.3327 8.4223 123.5403 65.6629 31.6761 176.3532 114 Y 4.1918 7.7101 114.3130 57.3795 38.5474 174.3402 115 D 4.8972 7.8762 121.3464 53.5663 41.3217 176.9146 116 M 4.1508 9.2539 128.2624 58.2768 32.1343 178.3811 117 D 4.5080 8.3966 117.3319 56.1081 41.2324 176.2062 118 N 4.8646 8.4361 117.9474 53.1716 39.9962 173.6826 119 I 5.0017 7.6144 117.3608 59.8005 39.8966 175.2032 120 R 4.9742 9.0830 124.3570 54.4550 34.6869 174.2738 121 V 4.8579 9.0064 122.2279 61.7804 33.3902 174.8917 122 T 5.3781 9.1025 117.8787 59.9277 72.5089 173.4418 123 T 4.2831 8.4658 112.9870 60.8134 70.3060 173.8171 124 P 4.2018 0.0000 0.0000 65.8472 31.4351 178.6552 125 K 3.8283 7.9362 118.1383 59.7483 32.0052 178.7839 126 R 3.9404 7.8567 118.3947 59.4574 30.1075 177.8847 127 H 4.2175 8.5708 118.5143 59.2596 29.8925 177.2798 128 I 3.6715 7.7517 121.5839 64.6681 36.8549 178.2434 129 D 4.5558 7.9963 119.1058 57.2112 40.3369 178.9586 130 I 3.7134 7.9044 120.0893 64.8650 37.2698 178.0576 131 H 4.6082 8.0269 115.0261 57.0188 29.1060 175.9304 132 R 4.4513 7.9710 116.2495 54.1901 29.9154 175.3154 133 G 4.1247 8.2396 112.4077 46.7917 0.0000 170.7789 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 E 8.44 4.32 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 3 S 8.23 4.49 0.00 3.91 3.63 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 4 K 8.58 3.99 0.00 1.80 1.74 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 5 R 7.96 4.07 0.00 2.00 2.01 0.00 3.00 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 6 N 7.99 4.86 0.00 2.93 2.93 0.00 0.00 6.83 7.18 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 7 K 7.73 4.48 0.00 1.81 1.95 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 8 P 0.00 4.76 0.00 2.00 1.98 0.00 3.83 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 2.06 2.32 0.00 9 G 8.48 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.31 5.08 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 11 A 8.77 4.67 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 12 T 8.98 4.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 13 G 9.04 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 0.00 0.00 0.00 0.00 14 K 9.39 4.18 0.00 1.83 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 15 G 8.24 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 0.00 0.00 0.00 16 K 8.05 4.68 0.00 1.79 1.64 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 17 P 0.00 4.70 0.00 2.02 1.96 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 18 V 8.08 4.59 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 0.61 0.00 0.00 0.46 0.00 0.00 19 G 8.05 4.50 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 0.00 20 D 8.68 4.85 0.00 2.72 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 21 K 8.11 4.51 0.00 1.85 1.87 0.00 2.03 0.00 0.00 2.04 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.36 7.81 22 W 7.93 4.58 0.00 3.36 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 23 L 7.80 3.44 0.00 1.46 1.07 0.52 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.08 4.43 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.45 4.53 0.00 2.97 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 26 A 7.90 4.48 1.43 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 0.00 0.00 27 G 7.55 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 0.00 0.00 0.00 28 K 7.67 4.72 0.00 1.82 1.66 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.40 7.81 29 D 8.25 4.18 0.00 2.80 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 0.00 0.00 0.00 30 S 8.87 4.42 0.00 3.89 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 31 G 8.32 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 0.00 0.00 0.00 32 A 8.62 4.69 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.83 0.00 2.14 2.13 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 34 I 8.29 4.01 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 0.88 0.00 0.00 35 P 0.00 4.48 0.00 1.70 1.41 0.00 3.26 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.44 0.00 36 D 8.70 4.97 0.00 2.88 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 37 R 7.76 3.84 0.00 1.71 1.92 0.00 3.02 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 38 I 7.46 3.67 1.79 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 1.28 0.52 0.73 0.00 0.00 39 A 8.00 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.99 4.33 0.00 2.83 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 41 K 7.44 4.15 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.71 7.81 42 L 7.81 4.55 0.00 1.84 1.97 0.59 0.99 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 43 R 7.45 4.29 0.00 1.83 1.92 0.00 3.27 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 44 D 9.10 4.64 0.00 2.82 2.83 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 45 K 7.74 4.07 0.00 1.75 1.14 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 46 E 8.18 4.61 0.00 1.80 1.62 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 2.09 2.31 0.00 47 F 8.65 4.91 0.00 2.85 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.13 4.18 0.00 1.99 1.95 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.52 7.81 49 S 7.72 5.05 0.00 4.29 4.06 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 50 F 9.21 4.14 0.00 2.99 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 51 D 8.36 4.42 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 52 D 8.27 4.44 0.00 3.15 2.99 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 53 F 8.04 2.95 0.00 2.77 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 54 R 7.77 3.39 0.00 1.63 2.02 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 55 K 8.15 4.30 0.00 1.96 2.02 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.41 7.81 56 A 7.68 4.09 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 57 V 7.05 3.07 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 0.14 0.00 0.00 -0.10 0.00 0.00 58 W 7.54 4.55 0.00 3.50 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.46 4.17 0.00 2.16 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 0.00 2.34 2.52 0.00 60 E 8.09 3.97 0.00 1.98 1.93 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 2.50 2.38 0.00 61 V 7.88 3.76 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 1.33 0.00 0.00 1.11 0.00 0.00 62 S 8.29 4.17 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.66 4.37 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.68 7.81 64 D 7.59 4.70 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.30 2.30 0.00 3.90 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 2.06 1.91 0.00 66 E 8.12 4.00 0.00 2.12 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 2.33 2.46 0.00 67 L 7.93 4.37 0.00 1.69 1.76 0.65 0.48 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 S 8.55 4.13 0.00 4.09 4.42 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 69 K 7.79 4.12 0.00 1.92 2.14 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.70 1.45 7.81 70 N 7.91 4.84 0.00 2.73 2.93 0.00 0.00 6.61 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 71 L 7.76 4.85 0.00 1.78 1.59 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.41 4.75 0.00 2.96 2.99 0.00 0.00 6.17 7.76 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 73 P 0.00 4.24 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 74 S 7.97 4.17 0.00 3.84 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 75 N 8.15 4.52 0.00 2.79 2.92 0.00 0.00 7.15 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 76 K 8.46 4.02 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.67 7.81 77 S 8.23 4.11 0.00 4.10 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 78 S 7.98 4.27 0.00 4.09 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 79 V 8.16 4.20 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 1.06 0.00 0.00 1.10 0.00 0.00 80 S 7.82 4.23 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.29 4.07 0.00 0.79 0.77 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.18 7.81 82 G 8.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.41 4.75 0.00 2.99 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 84 S 8.27 2.79 0.00 3.52 3.37 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 85 P 0.00 4.57 0.00 2.31 2.11 0.00 2.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 86 F 9.44 4.55 0.00 2.85 2.99 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 T 8.06 4.05 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 0.04 0.00 0.00 88 P 0.00 4.27 0.00 2.18 2.04 0.00 3.57 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 2.15 2.13 0.00 89 K 8.95 3.79 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 90 N 8.11 4.55 0.00 2.74 2.85 0.00 0.00 6.82 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 91 Q 8.05 4.40 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 92 Q 7.66 4.48 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 93 V 8.18 4.19 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 0.96 0.00 0.00 0.93 0.00 0.00 94 G 8.34 3.72 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 0.00 0.00 0.00 95 G 8.84 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 96 R 7.93 4.31 0.00 2.06 1.96 0.00 3.04 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 97 K 8.26 4.48 0.00 1.80 1.97 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.43 7.81 98 V 7.00 4.45 1.69 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 -0.35 0.00 0.00 0.69 0.00 0.00 99 Y 7.92 4.31 0.00 2.73 2.99 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 0.00 100 E 9.55 4.93 0.00 1.90 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 2.26 2.44 0.00 101 L 8.79 5.03 0.00 1.91 1.90 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.21 4.97 0.00 2.93 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.66 4.80 0.00 2.90 3.27 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.00 4.30 0.00 2.62 2.83 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 0.00 105 K 8.70 4.38 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.36 7.81 106 P 0.00 4.36 0.00 2.18 1.94 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 107 I 8.57 3.86 1.68 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.96 0.77 0.00 0.00 108 S 7.95 4.26 0.00 3.94 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.06 4.46 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 110 G 8.14 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 0.00 111 G 7.90 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 0.00 112 E 8.42 4.15 0.00 1.95 1.89 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 2.30 2.24 0.00 113 V 8.42 3.33 1.69 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 -0.09 0.00 0.00 0.70 0.00 0.00 114 Y 7.71 4.19 0.00 3.14 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 0.00 115 D 7.88 4.90 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 9.25 4.15 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 117 D 8.40 4.51 0.00 2.81 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 0.00 118 N 8.44 4.86 0.00 2.81 2.86 0.00 0.00 6.82 8.07 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 0.00 119 I 7.61 5.00 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 1.07 0.00 0.00 120 R 9.08 4.97 0.00 1.76 1.91 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.88 0.00 121 V 9.01 4.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.04 0.00 0.00 122 T 9.10 5.38 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 1.18 0.00 0.00 123 T 8.47 4.28 4.13 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 1.21 0.00 0.00 124 P 0.00 4.20 0.00 2.23 2.11 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 125 K 7.94 3.83 0.00 1.93 1.96 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.86 3.94 0.00 1.97 1.92 0.00 3.21 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 H 8.57 4.22 0.00 3.35 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.75 3.67 1.99 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 1.48 0.77 0.90 0.00 0.00 129 D 8.00 4.56 0.00 2.88 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 0.00 130 I 7.90 3.71 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.60 0.84 0.00 0.00 131 H 8.03 4.61 0.00 3.12 3.35 0.00 5.60 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.97 4.45 0.00 1.86 1.90 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 133 G 8.24 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00