NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5440 8.1633 120.3351 55.6137 34.4166 177.5705 1 C 4.3183 8.0369 116.1538 62.2275 28.1499 173.9611 2 D 4.4630 8.5819 120.7248 56.4479 41.5620 177.7611 3 A 4.0183 7.5934 121.3272 54.2697 18.3501 178.1543 4 F 4.7876 7.9720 112.8166 57.9759 40.4994 176.6915 5 V 3.9255 7.3631 120.1850 61.9321 31.8128 175.8945 6 G 4.0737 7.7497 113.4159 44.1104 0.0000 171.1034 7 T 4.9581 7.7104 116.3976 61.7264 70.6087 174.2997 8 W 5.4430 9.3468 126.0943 54.6766 32.9617 174.3590 9 K 5.0695 9.1988 124.1137 54.7455 34.5957 175.6642 10 L 3.8652 8.1822 125.5583 55.4252 42.0817 176.9040 11 V 4.5364 8.2381 121.5836 62.1478 34.1806 175.2570 12 S 4.6187 7.6267 113.3128 57.5479 66.2941 173.6672 13 S 4.8645 8.2182 114.9704 57.3023 65.3190 172.9794 14 E 4.5496 8.9834 126.4764 55.2666 33.2822 175.8240 15 N 4.3097 9.0571 119.3785 54.3649 36.6956 176.0336 16 F 4.6133 8.1185 124.1994 60.6501 39.4102 176.5838 17 D 4.0529 8.0875 117.4024 57.5234 41.2974 177.6639 18 D 4.3861 8.1607 118.8187 57.5511 40.8372 178.3899 19 Y 4.0750 7.8575 119.7165 61.0774 38.9599 177.6758 20 M 3.7219 7.9483 121.9851 58.5888 31.6572 179.6312 21 K 3.8895 7.6686 123.1566 59.8698 32.0009 181.6238 22 E 4.2545 7.6236 118.4086 59.2704 29.4381 179.5458 23 V 3.8327 7.1114 117.1038 64.2342 31.4982 176.9057 24 G 4.0118 7.5744 105.8208 44.9957 0.0000 173.6176 25 V 3.6225 7.3812 118.7992 62.3206 32.1790 176.7254 26 G 3.9339 8.3735 112.7839 43.7905 0.0000 174.5047 27 F 3.8396 8.7924 121.6435 61.3147 39.2461 177.0763 28 A 4.1210 8.1961 119.6395 55.6212 18.2053 179.5797 29 T 3.8459 7.8739 113.6963 66.8253 68.4601 176.9613 30 R 3.6673 8.1003 120.4360 58.8941 29.7708 179.1360 31 K 3.8971 7.4311 117.2947 59.4105 32.9739 179.3359 32 V 3.6510 7.4808 119.1166 65.8176 31.2406 177.8576 33 A 3.4656 7.6013 120.7137 54.9119 17.8196 179.7907 34 G 3.7657 7.6419 103.0836 47.3804 0.0000 174.9392 35 M 4.3459 7.5213 118.5451 55.6942 32.4775 177.2914 36 A 4.0236 7.5039 121.2454 54.0860 19.2484 177.6832 37 K 3.7478 7.8782 112.7649 56.8548 28.6920 173.3168 38 P 4.8700 0.0000 0.0000 62.5298 33.7551 177.0743 39 N 5.0589 8.7894 118.5241 53.2554 40.3959 173.7793 40 M 5.1731 9.3263 121.8759 53.8631 35.3523 174.1898 41 I 5.1372 9.0274 126.8281 59.5984 40.7748 174.4489 42 I 5.2211 9.0384 127.7641 59.5722 40.2413 174.8713 43 S 5.0608 9.0586 120.2087 56.7262 67.1186 172.9736 44 V 4.6992 8.2001 119.3845 61.2978 34.5421 174.2076 45 N 4.7499 9.0023 126.0899 52.2202 41.1326 174.6744 46 G 3.7607 8.1552 118.2974 47.1103 0.0000 173.1254 47 D 4.5625 8.7921 124.2171 52.8518 39.8573 175.3161 48 L 4.3711 7.7645 124.2402 54.2674 43.4496 175.3046 49 V 4.5324 8.0367 126.4670 61.3488 34.3291 174.4216 50 T 4.8676 8.6480 122.7422 61.8157 72.4496 172.7304 51 I 4.9015 8.7490 127.4087 59.8208 39.4394 174.9599 52 R 5.1517 9.0212 126.9817 54.7185 32.7533 175.4880 53 S 5.2131 8.8982 116.3072 56.6805 66.0408 172.5270 54 E 5.1453 9.4248 125.8022 53.7572 33.3360 175.0361 55 S 4.9521 8.3723 116.9106 58.0379 65.8656 175.0608 56 T 3.9890 8.7906 109.5008 64.8825 68.4301 175.3693 57 F 4.4755 8.1517 123.3748 59.7903 39.5277 174.2979 58 K 4.2573 7.9544 119.6384 55.1179 34.9578 173.6978 59 N 5.4702 8.5256 122.5180 52.1450 40.5396 174.1318 60 T 4.7129 8.8514 113.3499 60.1684 73.0597 172.6092 61 E 5.2915 8.5819 122.0668 55.2562 32.8120 173.8305 62 I 4.6675 8.7982 120.9523 59.2995 40.2734 174.5204 63 S 5.2557 8.3813 121.5062 56.7584 65.1616 173.2427 64 F 4.4940 8.0329 117.2428 55.8747 41.3205 172.8626 65 K 4.8770 8.3840 119.4125 54.5762 34.1513 176.2775 66 L 4.1468 8.6566 124.0062 56.8998 41.9374 177.7481 67 G 3.8867 9.3682 111.3850 45.4823 0.0000 173.1040 68 V 4.3083 7.4326 119.1797 60.2094 33.0640 174.8676 69 E 4.4902 8.9308 128.7579 57.1298 30.0733 175.8319 70 F 5.1459 8.7074 119.9982 55.3263 42.0368 173.1564 71 D 5.0961 8.8017 119.7869 54.1452 41.8245 175.6143 72 E 4.7486 8.8526 122.6208 54.6554 33.6595 173.9065 73 I 4.8145 8.3421 127.3070 59.6933 38.5549 175.8848 74 T 4.1166 8.4988 117.8257 60.7749 69.5159 175.5954 75 A 3.8967 8.4975 124.8450 54.7944 18.4854 178.1273 76 D 4.7193 8.0878 113.0841 53.4080 39.7858 176.5315 77 D 4.6502 8.2461 118.3944 54.9619 38.9139 174.5716 78 R 3.7762 7.5520 118.6776 55.9454 30.4090 175.5861 79 K 4.7816 8.3589 123.7606 55.3594 33.0128 175.4994 80 V 4.7865 8.6135 120.4710 59.4847 36.3187 174.5984 81 K 4.8059 8.7873 121.0473 54.9937 34.1175 176.0171 82 S 5.6831 7.9439 120.5331 55.8322 66.2914 173.2085 83 I 4.9104 8.0358 122.7592 59.5813 40.9141 174.1501 84 I 5.0726 8.4879 127.0900 59.6891 40.0305 174.6848 85 T 4.9728 8.7884 115.6968 59.8643 72.9259 172.1868 86 L 4.9399 8.3233 124.0412 53.5775 43.8170 175.6872 87 D 4.2328 9.2756 126.6127 54.4100 42.4201 174.7764 88 G 3.9752 9.4377 115.1781 46.4943 0.0000 173.2503 89 G 3.9461 8.6309 105.2020 44.9905 0.0000 173.5567 90 A 5.1309 7.5271 120.8292 49.7277 22.4383 176.2012 91 L 4.4605 7.8992 121.0704 54.3739 42.9912 176.1970 92 V 4.6724 8.7505 125.0899 61.0374 33.9971 173.8405 93 Q 4.9970 9.0929 129.9806 54.2774 31.5883 173.9855 94 V 4.7312 8.5583 126.6419 61.3682 33.8802 174.1218 95 Q 5.2105 9.0659 126.9909 54.2002 31.4725 174.8005 96 K 5.3922 8.8671 122.2806 54.5888 36.4201 175.3390 97 W 4.8175 9.1634 118.5843 56.3137 31.5916 174.0726 98 D 4.1338 9.6931 121.6224 55.5197 37.6811 175.2004 99 G 3.8158 7.6831 103.9180 45.8780 0.0000 173.0179 100 K 4.1687 7.2013 119.7901 54.9793 33.7609 175.2672 101 S 5.1847 7.6002 113.5738 57.4861 66.0488 173.1697 102 T 5.0008 9.0846 115.2786 60.9053 71.3482 172.3535 103 T 5.0293 8.8048 123.8911 61.9038 71.3670 173.1329 104 I 4.7380 8.7914 127.8405 59.4390 39.7305 174.3784 105 K 4.8204 8.9300 129.4711 54.6698 34.5698 174.8638 106 R 5.0841 9.1063 127.4262 54.3018 32.4291 175.2507 107 K 5.1192 9.0957 123.2406 55.1371 36.4272 175.7033 108 R 4.6024 8.5715 121.1019 55.7881 31.6780 176.1007 109 D 4.3936 8.8703 123.0005 53.5187 43.8536 175.0291 110 G 3.7792 8.3479 119.1330 47.2466 0.0000 172.9841 111 D 4.7374 8.8778 124.5437 53.3292 39.8566 176.1184 112 K 4.9535 7.9106 119.8046 55.2737 35.2221 174.9708 113 L 4.6557 8.8862 124.4673 53.4135 43.9931 175.0734 114 V 4.6563 8.9335 127.3559 61.2697 33.8987 174.4815 115 V 4.7290 8.8739 127.9216 61.2638 34.0611 173.9611 116 E 4.9962 9.1469 128.7217 55.0107 31.6842 174.7316 117 C 4.9021 8.4282 123.4608 58.2099 30.2567 173.3867 118 V 5.0547 8.8348 123.1382 61.4900 35.2072 174.2179 119 M 4.8096 9.1647 126.5523 54.6229 35.5149 174.8422 120 K 4.1060 9.8565 127.9293 57.5738 29.8470 174.2157 121 G 4.1064 8.3549 106.1834 45.5032 0.0000 173.6029 122 V 3.8790 7.6751 119.9135 62.4408 31.5316 174.4541 123 T 5.0089 8.4809 124.4114 61.9518 69.8697 173.7688 124 S 4.9584 8.5769 121.8149 57.1966 64.6900 172.7923 125 T 5.0529 8.6821 122.4055 61.8588 71.9080 173.2418 126 R 4.8655 8.9011 124.0507 54.4348 34.5503 174.1282 127 V 4.8502 8.3006 123.5732 61.2775 34.2602 173.8515 128 Y 5.3336 9.2212 125.1548 56.1719 41.5180 174.5202 129 E 5.3691 8.9566 120.0403 54.2998 33.2274 175.4659 130 R 3.9833 8.4575 118.5780 55.9350 31.0373 177.0166 131 A 4.1770 7.9766 123.7471 52.4764 18.8087 177.4714 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 0 M 8.16 4.54 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 1 C 8.04 4.32 0.00 3.13 3.06 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 2 D 8.58 4.46 0.00 2.73 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 3 A 7.59 4.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.97 4.79 0.00 3.27 3.12 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 5 V 7.36 3.93 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.05 0.00 0.00 6 G 7.75 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.71 4.96 4.15 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 1.23 0.00 0.00 8 W 9.35 5.44 0.00 3.31 3.22 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 9 K 9.20 5.07 0.00 1.86 1.99 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 10 L 8.18 3.87 0.00 1.40 1.43 0.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.54 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 0.79 0.00 0.00 0.96 0.00 0.00 12 S 7.63 4.62 0.00 3.83 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 13 S 8.22 4.86 0.00 3.66 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 14 E 8.98 4.55 0.00 1.88 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 2.20 2.23 0.00 15 N 9.06 4.31 0.00 3.09 2.94 0.00 0.00 6.79 8.13 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 16 F 8.12 4.61 0.00 3.02 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 17 D 8.09 4.05 0.00 2.78 2.60 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 18 D 8.16 4.39 0.00 2.91 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 19 Y 7.86 4.08 0.00 3.06 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 20 M 7.95 3.72 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.14 0.00 21 K 7.67 3.89 0.00 1.87 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 22 E 7.62 4.25 0.00 2.01 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 2.34 2.48 0.00 23 V 7.11 3.83 1.90 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 0.67 0.00 0.00 0.39 0.00 0.00 24 G 7.57 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 25 V 7.38 3.62 1.94 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 0.73 0.00 0.00 0.81 0.00 0.00 26 G 8.37 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.79 3.84 0.00 3.17 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 28 A 8.20 4.12 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 29 T 7.87 3.85 4.35 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 1.29 0.00 0.00 30 R 8.10 3.67 0.00 1.77 1.68 0.00 2.99 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.66 0.00 31 K 7.43 3.90 0.00 1.81 1.66 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.53 7.81 32 V 7.48 3.65 2.04 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 1.17 0.00 0.00 1.02 0.00 0.00 33 A 7.60 3.47 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.64 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 7.52 4.35 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 36 A 7.50 4.02 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 37 K 7.88 3.75 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.56 7.81 38 P 0.00 4.87 0.00 2.26 2.29 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 39 N 8.79 5.06 0.00 2.82 2.86 0.00 0.00 6.65 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 40 M 9.33 5.17 0.00 1.72 1.53 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 41 I 9.03 5.14 1.92 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 1.27 0.76 0.94 0.00 0.00 42 I 9.04 5.22 2.31 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 1.01 0.00 0.00 43 S 9.06 5.06 0.00 3.81 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 44 V 8.20 4.70 2.07 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 0.80 0.00 0.00 0.90 0.00 0.00 45 N 9.00 4.75 0.00 2.71 2.58 0.00 0.00 6.73 8.14 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 46 G 8.16 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 47 D 8.79 4.56 0.00 2.77 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 48 L 7.76 4.37 0.00 1.75 1.56 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.04 4.53 0.67 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 0.71 0.00 0.00 0.71 0.00 0.00 50 T 8.65 4.87 4.15 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 1.22 0.00 0.00 51 I 8.75 4.90 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.92 0.00 0.00 52 R 9.02 5.15 0.00 1.76 1.85 0.00 3.07 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 53 S 8.90 5.21 0.00 3.90 3.71 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 54 E 9.42 5.15 0.00 1.95 1.81 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 2.24 2.10 0.00 55 S 8.37 4.95 0.00 3.96 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 56 T 8.79 3.99 4.31 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 1.25 0.00 0.00 57 F 8.15 4.48 0.00 2.93 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 58 K 7.95 4.26 0.00 0.79 1.25 0.00 0.79 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 1.06 7.81 59 N 8.53 5.47 0.00 2.66 2.71 0.00 0.00 6.54 7.05 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 60 T 8.85 4.71 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 1.20 0.00 0.00 61 E 8.58 5.29 0.00 1.97 1.83 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 2.21 2.31 0.00 62 I 8.80 4.67 2.09 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 1.37 1.03 1.16 0.00 0.00 63 S 8.38 5.26 0.00 3.67 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 64 F 8.03 4.49 0.00 2.45 1.65 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 65 K 8.38 4.88 0.00 1.77 1.77 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 66 L 8.66 4.15 0.00 1.68 1.70 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.37 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 68 V 7.43 4.31 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 0.89 0.00 0.00 1.03 0.00 0.00 69 E 8.93 4.49 0.00 2.04 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 2.24 2.28 0.00 70 F 8.71 5.15 0.00 3.13 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 71 D 8.80 5.10 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 72 E 8.85 4.75 0.00 1.99 1.54 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 2.18 2.36 0.00 73 I 8.34 4.81 1.86 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 1.40 1.00 0.88 0.00 0.00 74 T 8.50 4.12 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 1.03 0.00 0.00 75 A 8.50 3.90 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 76 D 8.09 4.72 0.00 2.80 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 77 D 8.25 4.65 0.00 2.83 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 78 R 7.55 3.78 0.00 1.38 1.11 0.00 2.21 0.00 0.00 2.62 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 79 K 8.36 4.78 0.00 1.73 1.73 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.44 7.81 80 V 8.61 4.79 2.19 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 0.27 0.00 0.00 0.82 0.00 0.00 81 K 8.79 4.81 0.00 1.62 1.72 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.52 7.81 82 S 7.94 5.68 0.00 2.72 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 83 I 8.04 4.91 1.85 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 1.34 0.70 0.94 0.00 0.00 84 I 8.49 5.07 1.47 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.78 0.00 0.00 85 T 8.79 4.97 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 1.22 0.00 0.00 86 L 8.32 4.94 0.00 1.66 1.63 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.28 4.23 0.00 2.69 2.49 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 88 G 9.44 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 89 G 8.63 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 0.00 0.00 0.00 90 A 7.53 5.13 1.35 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 0.00 0.00 91 L 7.90 4.46 0.00 1.24 1.38 0.35 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.75 4.67 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 0.92 0.00 0.00 0.95 0.00 0.00 93 Q 9.09 5.00 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 94 V 8.56 4.73 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 0.92 0.00 0.00 0.93 0.00 0.00 95 Q 9.07 5.21 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 96 K 8.87 5.39 0.00 1.69 1.67 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 97 W 9.16 4.82 0.00 3.37 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 98 D 9.69 4.13 0.00 2.61 2.60 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 99 G 7.68 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.20 4.17 0.00 0.79 0.83 0.00 0.94 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 1.06 7.81 101 S 7.60 5.18 0.00 3.82 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 0.00 102 T 9.08 5.00 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 1.44 0.00 0.00 103 T 8.80 5.03 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 1.21 0.00 0.00 104 I 8.79 4.74 1.84 0.00 0.00 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 1.15 0.85 0.87 0.00 0.00 105 K 8.93 4.82 0.00 1.78 1.62 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 R 9.11 5.08 0.00 1.48 1.69 0.00 2.95 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 107 K 9.10 5.12 0.00 1.80 1.89 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.40 7.81 108 R 8.57 4.60 0.00 1.56 1.80 0.00 3.02 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.15 0.00 109 D 8.87 4.39 0.00 2.63 2.49 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 0.00 110 G 8.35 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 0.00 111 D 8.88 4.74 0.00 2.84 2.81 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 0.00 112 K 7.91 4.95 0.00 1.91 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.55 7.81 113 L 8.89 4.66 0.00 0.27 0.89 -0.60 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.93 4.66 2.07 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 0.95 0.00 0.00 0.93 0.00 0.00 115 V 8.87 4.73 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 0.88 0.00 0.00 0.87 0.00 0.00 116 E 9.15 5.00 0.00 1.89 1.81 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 2.19 2.22 0.00 117 C 8.43 4.90 0.00 1.75 2.07 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 0.00 118 V 8.83 5.05 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 0.99 0.00 0.00 0.93 0.00 0.00 119 M 9.16 4.81 0.00 2.22 2.05 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 2.69 2.54 0.00 120 K 9.86 4.11 0.00 1.91 1.82 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.33 7.81 121 G 8.35 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 0.00 122 V 7.68 3.88 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 1.08 0.00 0.00 0.96 0.00 0.00 123 T 8.48 5.01 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 1.19 0.00 0.00 124 S 8.58 4.96 0.00 4.25 3.45 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 0.00 125 T 8.68 5.05 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 1.18 0.00 0.00 126 R 8.90 4.87 0.00 1.64 1.58 0.00 2.21 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.31 0.00 127 V 8.30 4.85 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 1.00 0.00 0.00 0.91 0.00 0.00 128 Y 9.22 5.33 0.00 2.89 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 0.00 129 E 8.96 5.37 0.00 2.13 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 0.00 2.26 2.29 0.00 130 R 8.46 3.98 0.00 1.47 1.56 0.00 2.92 0.00 0.00 2.85 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.56 0.00 131 A 7.98 4.18 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