NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2138 8.4445 119.1077 53.9974 28.6857 174.2808 4 L 3.7282 8.1416 123.5995 53.2495 41.4314 175.2215 5 T 4.1506 8.2332 118.1221 60.9326 70.1579 174.3669 6 E 3.9960 8.5388 120.3176 59.3987 29.3828 178.2864 7 E 3.7697 7.9976 120.2163 59.1483 29.4478 178.2796 8 Q 4.0350 7.5840 116.5300 57.7749 29.3877 176.8828 9 I 4.3392 8.5780 121.0205 63.7328 38.4579 177.3767 10 A 4.1399 8.1711 120.9988 55.8180 17.7467 178.6406 11 E 4.0325 7.8380 116.7282 58.8788 29.6530 178.8469 12 F 4.2014 8.5310 119.9731 60.8116 39.5352 177.0724 13 K 4.4385 8.4491 120.3933 58.8420 32.4033 178.9078 14 E 4.5142 8.4036 121.1741 56.5565 28.5941 177.3538 15 A 4.2989 7.8669 120.8084 53.9807 21.4315 178.3017 16 F 4.2723 8.7045 114.9588 60.8810 38.9796 178.6780 17 S 3.8002 7.2850 112.9159 61.2713 64.2092 175.3117 18 L 4.1226 8.0784 123.1307 56.6562 41.6512 178.7066 19 F 4.9845 7.3281 118.4934 55.4773 37.5129 174.4672 20 D 4.5458 7.7312 120.5303 53.5319 42.0197 174.7001 21 K 4.2929 8.3469 121.2659 56.0559 32.7003 176.2967 22 D 5.0054 7.7689 118.3890 51.6573 41.7189 175.6525 23 G 4.2176 8.2408 106.1017 45.4134 0.0000 174.3509 24 D 4.3861 8.1467 119.6122 57.3945 39.7044 177.0751 25 G 3.8038 6.6991 110.3401 44.6723 0.0000 172.6826 26 T 5.5083 8.4117 109.7506 58.3135 71.4606 172.9119 27 I 4.4425 7.9707 117.4286 59.2289 40.1479 174.6368 28 T 4.4500 7.8638 117.7610 60.4282 69.5725 174.5107 29 T 3.9097 8.9896 119.7739 65.5721 69.2751 177.8129 30 K 4.2755 7.5796 120.2976 59.2187 32.8787 178.2556 31 E 4.2461 7.6655 116.1026 57.7378 29.8212 178.1355 32 L 4.0409 8.4093 122.5969 58.5986 42.1178 178.2191 33 G 3.7266 8.4689 104.9937 47.8834 0.0000 175.5661 34 T 3.9097 7.9279 116.7186 65.9768 68.6627 176.2443 35 V 3.7135 8.1005 120.3073 66.1854 31.4781 177.7262 36 M 4.0691 8.1336 117.9097 58.6737 31.5270 178.3876 37 R 5.0828 7.9255 119.7396 59.5241 29.9380 178.4644 38 S 4.2562 7.9755 113.1848 61.5716 62.9768 176.3692 39 L 4.0797 8.1148 122.5506 56.1449 42.3312 176.0730 40 G 4.0013 8.0245 109.5058 45.5230 0.0000 173.7601 41 Q 4.5715 8.1614 115.8343 54.5568 33.2716 175.2254 42 N 4.9763 8.5196 118.5900 52.8779 39.1845 172.2357 43 P 4.0801 0.0000 0.0000 62.0311 31.1125 175.5009 44 T 3.7902 8.7213 112.9253 62.0112 68.6580 174.3953 45 E 4.1001 8.9229 122.8858 57.8885 29.8162 177.8175 46 A 4.4390 8.1377 121.8703 54.2392 19.0274 179.2009 47 E 4.1003 8.4152 116.5985 58.6362 29.5261 179.1417 48 L 4.2962 7.8635 118.9195 57.5239 41.8857 178.2119 49 Q 4.0405 7.9757 118.7697 58.9723 28.6385 178.3307 50 D 4.4505 7.9621 119.8735 56.7212 39.7117 178.1393 51 M 4.0393 7.5094 117.4710 58.4398 31.8602 178.0626 52 I 3.9679 7.7576 117.4792 62.7056 38.3955 176.4151 53 N 4.6508 8.0509 115.9886 54.7074 39.5129 174.4297 54 E 4.5335 7.9518 118.4992 58.1123 31.1451 177.6113 55 V 3.8364 7.4476 113.4077 62.2169 31.5795 176.2220 56 D 4.5497 7.6870 115.1677 54.6535 43.4591 175.3627 57 A 4.5821 7.5854 122.0673 52.1827 19.0585 178.9534 58 D 4.3574 7.7786 113.9130 56.1429 40.0752 176.3825 59 G 3.9750 7.3494 109.8952 45.2694 0.0000 176.4519 60 N 3.8626 7.0992 117.5233 54.2424 38.7521 176.9447 61 G 4.1153 8.6138 108.1945 44.8797 0.0000 172.2393 62 T 5.4832 7.6364 109.5789 59.0193 72.6117 172.8183 63 I 4.6048 7.9142 120.9099 60.3597 41.2443 174.8447 64 D 5.2292 9.5715 127.6684 53.1992 42.3981 176.7397 65 F 3.7296 9.3612 123.1790 61.2261 39.1175 174.8906 66 P 4.3743 0.0000 0.0000 65.9763 30.9206 178.0357 67 E 4.0428 7.9143 116.1971 58.7867 29.5405 177.9054 68 F 4.4536 7.9985 119.6799 59.6723 40.3246 177.2202 69 L 3.1514 8.0258 120.1266 58.3240 41.7218 179.3800 70 T 3.9282 7.6622 115.3543 65.7547 69.0279 176.4234 71 M 3.7449 7.5784 119.7997 59.1382 32.1185 178.8766 72 M 3.7859 7.7951 118.7071 57.7034 32.1532 180.1756 73 A 4.2902 7.2851 121.8534 52.0076 17.7400 178.0864 74 R 4.3277 9.4810 119.8180 59.2842 32.0458 176.5767 75 K 4.1444 7.2490 112.8610 57.7915 32.9236 177.0318 76 M 4.3745 7.6401 120.7147 54.3790 30.4131 174.3821 77 K 4.4610 6.7752 118.2974 57.9401 37.0200 177.9121 78 D 4.4053 7.9544 117.7386 57.7380 42.0380 178.3554 79 T 4.0002 7.8307 110.1717 62.8036 66.6056 174.7797 80 D 4.7199 8.1005 116.0797 55.1413 40.7472 177.4788 81 S 4.1825 8.7030 114.5071 59.0897 62.6341 175.3004 82 E 3.9114 7.4520 122.5408 59.5049 29.5262 178.2904 83 E 4.1456 8.1606 118.2918 59.1828 29.9797 177.8091 84 E 3.9925 8.2700 118.2242 59.9379 29.5428 179.5398 85 I 3.8630 8.0578 119.4119 64.5464 37.1113 178.1986 86 R 4.4360 8.3661 118.3309 58.3139 29.9636 177.5343 87 E 4.3583 8.1129 116.9307 58.1577 30.3779 177.8907 88 A 4.1928 8.3389 121.2969 55.2439 18.5956 178.9436 89 F 3.0017 8.7140 119.1762 61.7280 39.1584 177.6751 90 R 3.8787 7.8021 115.8444 59.0377 29.8365 179.0669 91 V 3.6903 7.5956 117.4737 66.1684 31.6896 177.7567 92 F 4.1062 8.2902 116.0141 59.9692 40.2137 176.7784 93 D 4.5189 7.5889 118.2443 53.6909 36.5998 177.0221 94 K 3.8643 7.4802 121.1759 58.7011 32.9204 177.8541 95 D 4.7445 8.0027 115.8314 52.4976 40.7522 177.0945 96 G 4.0055 8.5229 107.7439 45.2707 0.0000 173.6121 97 N 4.5795 8.3168 115.9230 52.6563 37.2625 176.3676 98 G 4.0206 8.2522 105.5211 46.4832 0.0000 173.2621 99 Y 5.1665 7.6810 116.1245 56.1296 41.0586 175.0710 100 I 4.5876 9.3288 124.8085 60.1880 39.1166 174.9389 101 S 4.8236 8.9215 121.0145 56.0096 65.5370 174.9247 102 A 3.9777 9.0060 123.5111 56.2762 17.8395 179.0533 103 A 3.9328 8.3155 118.1346 56.0743 17.7465 179.2770 104 E 3.9407 8.0867 113.9667 58.9579 29.7971 179.0036 105 L 4.1835 8.5073 121.7003 58.1792 42.1933 178.8595 106 R 3.8967 8.3303 118.6252 59.7696 29.9681 177.7182 107 H 4.2793 8.5739 115.7542 58.0702 30.1122 175.3827 108 V 4.0764 7.3267 116.7591 64.1260 33.8697 177.1355 109 M 4.1048 8.5526 120.3002 58.4761 31.5470 178.8150 110 T 4.5533 7.9555 111.1514 64.7298 68.8948 176.1785 111 N 4.2104 8.1088 118.6061 55.6380 38.5237 176.0168 112 L 4.4494 7.4975 117.8462 54.8394 42.3671 177.7404 113 G 3.8620 7.9632 105.6752 45.9014 0.0000 173.4633 114 E 4.4812 7.9943 120.8059 53.9274 31.0854 175.0128 115 K 4.6862 8.5540 125.6690 55.0650 32.6151 175.7142 116 L 4.7774 8.1982 123.7789 52.8047 44.4913 176.2081 117 T 4.2038 8.2418 116.8065 61.2506 66.9102 174.9542 118 D 4.3550 8.8772 127.7524 57.4511 40.7578 178.4437 119 E 4.3932 8.2443 118.2711 59.0301 30.0430 178.2077 120 E 4.1542 8.8105 119.1675 59.2010 29.7366 179.3715 121 V 3.7120 7.7449 117.8781 66.0087 31.4947 176.9801 122 D 4.6567 7.4575 115.2822 55.4697 40.6677 177.0119 123 Q 4.4139 8.1327 120.6756 58.4252 30.3853 176.2938 124 M 4.2240 8.2835 120.1431 57.0322 32.0201 178.8263 125 I 3.4661 8.1357 118.2537 64.2424 37.6989 177.6171 126 R 3.8102 8.1170 118.7069 60.2277 29.7757 178.0830 127 E 4.0201 8.1592 117.5846 58.5310 29.7106 177.9709 128 A 4.3898 8.1826 119.8886 52.5417 19.3724 176.7979 129 D 4.7017 7.4482 117.5995 54.0812 41.8010 175.9405 130 I 4.1212 8.9478 128.1336 62.7756 37.8902 176.3626 131 D 4.6407 8.5275 116.6041 52.6990 39.7636 177.1682 132 G 4.0436 8.4297 109.4445 45.7055 0.0000 174.6499 133 D 4.3182 7.9667 118.2245 54.9697 39.2117 176.6711 134 G 3.7779 11.0036 107.7674 45.6497 0.0000 173.3141 135 Q 4.6510 7.6840 111.7936 55.1958 31.0539 174.0325 136 V 4.3725 8.1221 116.9891 61.2169 33.2874 175.5146 137 N 5.1527 9.4784 122.8925 51.3964 40.2377 175.0807 138 Y 2.9534 8.1510 118.4143 60.7066 38.5705 177.5865 139 E 3.7079 7.9833 118.4829 59.7078 29.6133 179.2913 140 E 3.9843 10.6709 117.9473 59.2331 29.3972 179.3604 141 F 4.1738 8.5673 121.1464 61.4374 39.6433 177.3251 142 V 3.3985 8.3087 118.8585 66.0444 31.2152 177.9654 143 Q 3.8364 7.8944 117.4396 58.9621 28.4447 177.8265 144 M 3.8092 7.7690 118.2660 59.5323 32.2451 177.7529 145 M 3.9633 7.7317 117.2570 58.6623 32.4834 177.9389 146 T 4.0316 7.7444 109.7023 63.3831 69.1882 173.7978 147 A 3.8112 7.4263 127.9791 51.3237 18.5460 177.3975 148 K 4.1072 8.5642 122.4460 57.1493 32.3020 176.5905 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 3 Q 8.44 4.21 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.14 3.73 0.00 1.74 1.52 0.92 0.61 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 5 T 8.23 4.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 E 8.54 4.00 0.00 2.25 2.20 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 2.37 2.37 0.00 7 E 8.00 3.77 0.00 2.05 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 2.35 2.36 0.00 8 Q 7.58 4.03 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 9 I 8.58 4.34 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.77 1.10 0.00 0.00 10 A 8.17 4.14 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 11 E 7.84 4.03 0.00 2.01 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 2.35 2.65 0.00 12 F 8.53 4.20 0.00 3.08 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.45 4.44 0.00 2.11 1.88 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 0.86 7.81 14 E 8.40 4.51 0.00 2.01 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 0.00 2.32 2.25 0.00 15 A 7.87 4.30 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 F 8.70 4.27 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.29 3.80 0.00 3.97 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 18 L 8.08 4.12 0.00 1.31 1.34 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.33 4.98 0.00 2.94 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 20 D 7.73 4.55 0.00 2.84 2.53 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 21 K 8.35 4.29 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81 22 D 7.77 5.01 0.00 2.74 2.62 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 0.00 0.00 0.00 23 G 8.24 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 24 D 8.15 4.39 0.00 2.86 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 25 G 6.70 3.80 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 0.00 0.00 0.00 26 T 8.41 5.51 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 1.33 0.00 0.00 27 I 7.97 4.44 1.50 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.34 0.35 0.00 0.00 28 T 7.86 4.45 4.21 0.00 0.00 0.00 0.00 0.00 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 29 T 8.99 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 K 7.58 4.28 0.00 1.80 1.82 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.47 7.81 31 E 7.67 4.25 0.00 2.26 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 0.00 2.19 2.20 0.00 32 L 8.41 4.04 0.00 1.82 1.89 1.19 1.13 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 33 G 8.47 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.93 3.91 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 0.82 0.00 0.00 35 V 8.10 3.71 2.36 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 1.08 0.00 0.00 1.05 0.00 0.00 36 M 8.13 4.07 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.84 0.00 37 R 7.93 5.08 0.00 2.04 2.15 0.00 3.15 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 38 S 7.98 4.26 0.00 4.49 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 39 L 8.11 4.08 0.00 1.67 1.70 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.02 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 41 Q 8.16 4.57 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 42 N 8.52 4.98 0.00 2.65 2.76 0.00 0.00 7.02 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 43 P 0.00 4.08 0.00 2.25 2.12 0.00 4.01 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 2.03 2.06 0.00 44 T 8.72 3.79 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 45 E 8.92 4.10 0.00 1.98 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 0.00 2.32 2.26 0.00 46 A 8.14 4.44 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 47 E 8.42 4.10 0.00 2.15 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 2.34 2.36 0.00 48 L 7.86 4.30 0.00 1.71 1.74 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.98 4.04 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 50 D 7.96 4.45 0.00 2.95 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 51 M 7.51 4.04 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.56 0.00 52 I 7.76 3.97 1.91 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 1.43 0.65 1.02 0.00 0.00 53 N 8.05 4.65 0.00 2.91 2.83 0.00 0.00 6.90 6.93 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 54 E 7.95 4.53 0.00 2.15 1.88 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 2.20 2.27 0.00 55 V 7.45 3.84 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 56 D 7.69 4.55 0.00 2.72 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 57 A 7.59 4.58 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 58 D 7.78 4.36 0.00 2.60 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 59 G 7.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.10 3.86 0.00 2.85 2.89 0.00 0.00 6.27 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.61 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 62 T 7.64 5.48 4.30 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 1.20 0.00 0.00 63 I 7.91 4.60 2.12 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 1.32 1.08 1.17 0.00 0.00 64 D 9.57 5.23 0.00 2.85 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 65 F 9.36 3.73 0.00 3.10 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 66 P 0.00 4.37 0.00 2.25 2.11 0.00 4.00 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 67 E 7.91 4.04 0.00 2.41 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 2.49 2.43 0.00 68 F 8.00 4.45 0.00 3.03 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 69 L 8.03 3.15 0.00 1.39 1.49 0.98 -0.39 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 70 T 7.66 3.93 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 1.13 0.00 0.00 71 M 7.58 3.74 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 72 M 7.80 3.79 0.00 1.31 1.06 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.23 0.00 73 A 7.29 4.29 1.06 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 0.00 0.00 74 R 9.48 4.33 0.00 1.66 2.06 0.00 3.23 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 75 K 7.25 4.14 0.00 1.82 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.52 7.81 76 M 7.64 4.37 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 77 K 6.78 4.46 0.00 1.67 1.61 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.44 7.81 78 D 7.95 4.41 0.00 2.67 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 79 T 7.83 4.00 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 80 D 8.10 4.72 0.00 3.04 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 81 S 8.70 4.18 0.00 3.88 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 82 E 7.45 3.91 0.00 1.88 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 2.43 2.46 0.00 83 E 8.16 4.15 0.00 2.16 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 2.39 2.48 0.00 84 E 8.27 3.99 0.00 2.29 2.09 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 2.45 2.55 0.00 85 I 8.06 3.86 2.27 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 1.04 0.00 0.00 86 R 8.37 4.44 0.00 2.01 2.12 0.00 2.98 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.00 87 E 8.11 4.36 0.00 2.29 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 2.37 2.67 0.00 88 A 8.34 4.19 1.71 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 0.00 0.00 89 F 8.71 3.00 0.00 3.13 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.80 3.88 0.00 1.81 2.00 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 91 V 7.60 3.69 2.51 0.00 0.00 0.00 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 1.02 0.00 0.00 92 F 8.29 4.11 0.00 2.65 3.05 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 0.00 0.00 0.00 0.00 93 D 7.59 4.52 0.00 2.03 2.35 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 94 K 7.48 3.86 0.00 2.15 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.59 7.81 95 D 8.00 4.74 0.00 2.69 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 96 G 8.52 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 97 N 8.32 4.58 0.00 3.10 3.14 0.00 0.00 6.10 7.07 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 98 G 8.25 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.68 5.17 0.00 2.84 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 0.00 100 I 9.33 4.59 2.04 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.27 0.96 0.00 0.00 101 S 8.92 4.82 0.00 3.90 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 0.00 102 A 9.01 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.32 3.93 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 0.00 104 E 8.09 3.94 0.00 2.39 2.26 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 2.51 2.48 0.00 105 L 8.51 4.18 0.00 1.86 1.95 1.20 1.12 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 0.00 106 R 8.33 3.90 0.00 1.99 2.18 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 H 8.57 4.28 0.00 3.13 3.46 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.33 4.08 1.67 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 0.52 0.00 0.00 0.80 0.00 0.00 109 M 8.55 4.10 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.97 0.00 110 T 7.96 4.55 4.23 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 1.26 0.00 0.00 111 N 8.11 4.21 0.00 2.71 2.87 0.00 0.00 6.93 7.85 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 0.00 112 L 7.50 4.45 0.00 1.56 1.66 0.85 1.13 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 0.00 113 G 7.96 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 0.00 114 E 7.99 4.48 0.00 2.08 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 2.24 2.31 0.00 115 K 8.55 4.69 0.00 1.78 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 116 L 8.20 4.78 0.00 1.62 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.24 4.20 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 0.00 118 D 8.88 4.35 0.00 2.79 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 0.00 119 E 8.24 4.39 0.00 1.97 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 0.00 2.33 2.49 0.00 120 E 8.81 4.15 0.00 2.10 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 2.32 0.00 121 V 7.74 3.71 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 1.19 0.00 0.00 0.97 0.00 0.00 122 D 7.46 4.66 0.00 2.95 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 0.00 123 Q 8.13 4.41 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 124 M 8.28 4.22 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.65 0.00 125 I 8.14 3.47 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.95 0.00 0.00 126 R 8.12 3.81 0.00 2.05 2.12 0.00 3.19 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 127 E 8.16 4.02 0.00 2.05 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 0.00 2.32 2.33 0.00 128 A 8.18 4.39 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 0.00 129 D 7.45 4.70 0.00 2.73 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 0.00 130 I 8.95 4.12 1.88 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 1.36 0.71 0.91 0.00 0.00 131 D 8.53 4.64 0.00 2.79 2.78 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 0.00 132 G 8.43 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.97 4.32 0.00 2.67 2.77 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 0.00 134 G 11.00 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 0.00 135 Q 7.68 4.65 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.88 0.00 0.00 0.00 0.00 0.00 1.98 2.25 0.00 136 V 8.12 4.37 2.31 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 0.83 0.00 0.00 1.12 0.00 0.00 137 N 9.48 5.15 0.00 2.70 3.22 0.00 0.00 6.35 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 0.00 138 Y 8.15 2.95 0.00 1.96 2.59 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 0.00 0.00 0.00 0.00 139 E 7.98 3.71 0.00 2.19 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 2.36 2.37 0.00 140 E 10.67 3.98 0.00 2.35 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 2.36 2.48 0.00 141 F 8.57 4.17 0.00 3.28 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.31 3.40 1.84 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 0.80 0.00 0.00 -0.23 0.00 0.00 143 Q 7.89 3.84 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.43 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 144 M 7.77 3.81 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 145 M 7.73 3.96 0.00 1.83 1.68 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 146 T 7.74 4.03 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 147 A 7.43 3.81 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 0.00 148 K 8.56 4.11 0.00 1.71 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81