NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1984 8.2985 121.4388 56.2280 31.8399 177.7785 3 A 3.8846 7.7125 120.3890 54.1699 18.3291 174.3947 4 V 3.6275 7.6796 116.6247 65.7389 32.0614 176.2310 5 K 3.8453 7.9770 118.9621 59.9129 31.9160 178.5532 6 T 3.8546 7.8315 115.6435 66.6141 68.4316 176.1949 7 F 4.1062 8.2009 122.3686 61.5743 39.4234 176.6298 8 N 4.3920 8.8284 116.3216 56.6711 38.2220 177.3196 9 S 4.1074 8.2978 114.5097 61.3502 62.2589 176.1070 10 E 3.9007 8.1124 120.6250 59.0859 29.6110 178.7464 11 L 3.5721 7.7504 120.6447 58.3241 42.1496 178.5788 12 Y 4.0738 8.1129 115.7951 59.7754 37.8156 177.5232 13 S 4.3633 7.8650 115.1391 59.8660 63.0876 175.8212 14 L 4.1438 7.6937 123.3938 58.3144 41.1522 178.6204 15 N 4.2502 7.5220 115.3913 54.5649 38.4884 176.1030 16 D 4.3614 7.9583 119.7266 54.3745 41.4926 175.6816 17 Y 4.8434 7.4496 117.1170 55.6382 40.8359 175.1004 18 K 4.2238 8.7400 125.1503 54.9928 32.8121 175.0099 19 P 4.5647 0.0000 0.0000 61.8140 31.9601 174.5424 20 P 4.4589 0.0000 0.0000 62.6011 31.9367 176.4217 21 I 4.1226 8.1651 123.1293 60.4410 38.4047 176.8548 22 S 4.2701 8.2152 119.3105 57.9409 64.8535 175.2723 23 K 3.7881 8.5739 123.9416 59.7043 31.8505 178.7376 24 A 3.9331 7.9392 120.3878 55.1885 18.2621 179.3614 25 K 3.7680 8.0878 118.0388 59.8951 32.2280 178.8809 26 M 4.0360 7.8536 118.5704 58.7343 31.7945 178.8639 27 T 3.8726 8.2012 116.1392 66.6304 68.5835 176.6789 28 Q 3.9975 8.3279 120.1368 59.1026 28.7913 178.8819 29 I 3.7029 7.8573 120.7515 64.6816 37.1051 178.6842 30 T 3.9016 8.1243 116.4199 66.6696 68.2700 176.8373 31 K 3.9778 8.4737 120.5435 59.5780 31.8647 179.2386 32 A 4.1004 8.1488 119.6890 55.0194 18.6924 179.3726 33 A 3.8178 8.2586 119.3391 55.4857 18.2982 180.0755 34 I 4.0466 8.2622 117.1582 64.2469 37.2256 178.4193 35 K 4.3384 8.4177 118.5469 58.1777 32.1462 177.6758 36 A 4.7968 7.7249 120.4343 52.2440 19.4295 179.0382 37 I 3.6910 7.9614 123.3465 65.1400 38.3961 177.1272 38 K 3.9216 8.1751 120.6409 58.5468 32.2672 176.8669 39 F 4.9295 8.2261 118.2450 56.7030 39.6602 177.2227 40 Y 4.2032 8.2976 121.9026 60.4294 37.3318 177.5679 41 K 3.5587 6.9983 119.6181 59.3641 32.0714 178.8659 42 H 4.2189 8.1945 116.6654 58.5014 28.6066 177.8551 43 V 3.4236 7.7926 119.6709 66.0152 31.2793 178.0206 44 V 3.2316 7.8894 118.0064 65.9033 31.2178 177.5520 45 Q 4.0031 8.0200 119.2067 59.4857 28.7873 178.6355 46 S 4.3662 8.6623 116.4467 61.6618 62.8924 176.8173 47 V 3.8047 8.3620 120.9837 66.2712 31.3360 177.9295 48 E 4.1254 8.7725 118.5442 59.2125 29.3071 179.1968 49 K 3.9809 8.6170 120.0691 59.5317 32.2645 178.2960 50 F 3.9779 8.6025 121.0772 61.6860 38.9952 177.1967 51 I 3.6436 7.9442 117.7632 64.3219 36.8919 177.9560 52 Q 4.0716 8.0835 119.8640 58.7135 29.0040 177.5750 53 K 4.2946 7.7588 117.8565 56.7488 33.0874 177.0803 54 C 4.0454 7.1241 113.4656 57.3541 30.1893 173.7199 55 K 4.1405 8.3925 119.7749 55.8716 32.6177 176.2628 56 P 4.3152 0.0000 0.0000 66.0627 30.9655 178.6902 57 E 3.9445 8.0245 114.2283 58.5441 29.6440 177.4937 58 Y 4.6332 7.7627 116.6076 57.8327 38.2885 177.4666 59 K 3.9113 7.7271 120.9653 59.4053 32.1945 179.2524 60 V 3.1310 7.4986 117.7776 65.4152 31.5311 175.7161 61 P 4.3811 0.0000 0.0000 65.8906 31.2973 178.6745 62 G 3.7315 8.6275 104.5485 47.7300 0.0000 175.4078 63 L 3.8931 8.1068 123.2469 58.2010 42.0623 178.7769 64 Y 4.5483 8.3040 116.9737 60.8253 37.6976 178.7672 65 V 3.6111 7.8963 119.5012 66.0020 31.6342 178.0321 66 I 3.3411 7.6149 119.1598 64.3080 36.8668 177.6071 67 D 4.7981 8.7049 119.1973 57.8182 41.0870 178.4197 68 S 4.1018 8.6625 113.6186 61.4152 62.3288 176.1779 69 I 3.5751 7.8448 122.3584 64.4361 36.8491 178.6838 70 V 3.6603 7.9500 119.1066 66.1454 31.4162 178.3206 71 R 3.9343 8.3622 118.1942 59.0484 29.8421 178.8676 72 Q 3.9186 8.1904 119.4751 59.2071 29.0914 178.1128 73 S 4.4020 8.3518 114.3296 61.7214 62.4785 176.3188 74 R 3.9935 8.2628 120.7799 59.5558 29.5529 178.6198 75 H 4.1646 7.9966 117.0059 59.1837 29.9729 176.8438 76 Q 3.8093 8.5383 120.7305 58.2534 28.9732 177.0105 77 F 4.7546 8.4998 116.2113 55.9107 41.0633 176.7146 78 G 4.0142 7.8308 106.4735 45.4758 0.0000 174.5625 79 Q 3.9812 8.8439 121.2991 58.9419 29.0179 178.9442 80 E 4.1912 8.2947 115.6043 58.7788 29.5224 177.9704 81 K 4.2770 7.1000 115.9369 56.2202 33.4498 176.2072 82 D 4.3084 7.8860 119.1213 54.9047 41.2717 176.5525 83 V 3.6508 7.8724 118.9172 62.6526 32.5143 178.4852 84 F 4.2429 8.5513 119.4179 60.4328 38.8681 177.3389 85 A 3.9842 8.5164 120.2504 54.8343 17.9031 177.7342 86 P 4.2443 0.0000 0.0000 65.8567 31.2189 178.5200 87 R 4.0849 7.8527 117.4886 59.5230 29.7897 178.5473 88 F 4.5309 8.7742 118.1876 60.5472 38.6960 177.7791 89 S 4.3279 8.3975 114.1747 61.1819 62.5655 175.9826 90 N 4.4047 7.6388 118.5043 56.1318 38.6700 176.1384 91 N 4.9687 7.5232 114.5434 53.0314 39.2067 176.4438 92 I 3.8847 7.6316 123.3018 64.1688 37.9242 178.0555 93 I 3.7541 7.7616 120.2956 64.4903 37.2016 178.0464 94 S 4.1815 8.1741 113.4219 61.7505 62.2047 176.0399 95 T 3.9516 8.2831 118.4618 66.9055 68.2385 176.6145 96 F 3.6571 8.7520 119.5342 60.1840 38.6572 177.7267 97 Q 4.2244 8.0155 117.3678 59.1833 28.7861 178.4680 98 N 4.5096 8.1298 116.9299 56.2242 38.4347 177.4092 99 L 3.7882 7.5887 119.3584 57.8623 41.7042 178.4681 100 Y 4.5655 7.5418 113.4903 58.4830 38.8956 175.9719 101 R 4.3660 7.7332 121.2275 56.2318 29.6264 174.8963 102 C 4.8966 7.4108 111.2574 55.0066 33.3194 172.1775 103 P 4.2901 0.0000 0.0000 62.6625 31.5370 177.8350 104 G 3.8264 8.9289 108.8443 48.3572 0.0000 175.4084 105 D 4.5152 8.1417 118.9605 56.2651 41.0206 177.2427 106 D 4.7367 8.2299 118.6672 54.2880 41.6612 178.1738 107 K 4.0866 7.9042 121.3438 59.3833 32.1945 178.7189 108 S 4.2135 8.0917 114.1515 61.2149 62.8823 176.6127 109 K 4.0205 7.7578 122.4600 59.1644 31.8313 179.2449 110 I 3.5005 7.6189 119.6104 64.5071 37.0375 178.4921 111 V 3.6606 7.8783 118.9488 65.8593 31.3178 177.9525 112 R 3.8490 8.0173 118.5863 59.3661 29.9500 178.6751 113 V 3.3684 7.5855 117.8003 65.8069 31.4486 177.7548 114 L 3.8241 7.6173 118.6065 58.0007 41.5062 179.1852 115 N 4.3516 8.3800 116.4341 56.5136 38.4179 177.4950 116 L 4.0766 8.0236 120.1117 57.5620 41.6447 179.4081 117 W 4.5878 8.7736 119.3850 60.0273 29.1788 178.3544 118 Q 4.0535 8.5435 119.3429 59.1740 28.3588 178.1175 119 K 4.0143 8.0745 119.2897 59.3519 32.3557 177.5683 120 N 4.7144 8.4131 113.6664 52.2066 38.8902 174.5516 121 N 4.2763 8.0323 116.4619 53.9804 37.0300 176.0263 122 V 3.5505 8.1880 119.4744 65.1357 31.8460 176.0308 123 F 4.7340 7.7112 115.5310 54.9012 42.5159 174.6164 124 K 4.2405 8.4422 124.1248 56.1350 32.9415 177.8996 125 S 4.1990 8.6183 117.1640 60.8193 62.0570 175.9776 126 E 4.1126 8.1827 118.9339 58.7303 29.3103 178.4665 127 I 4.0353 7.8779 121.4456 63.9162 37.6224 177.9613 128 I 3.6927 7.6393 119.9240 64.4053 36.9635 178.1494 129 Q 3.9472 8.1253 120.2660 58.8153 28.8511 176.3925 130 P 4.1382 0.0000 0.0000 65.7222 31.4358 178.5112 131 L 3.8904 7.5502 117.1370 57.6524 41.4442 179.6193 132 L 4.0012 8.1965 119.2907 57.9671 41.5993 179.0054 133 D 4.3802 8.8564 119.9116 57.8511 40.5226 178.8841 134 M 3.9929 8.0362 117.4360 58.3851 32.6826 177.8439 135 A 3.6879 7.9109 120.1948 55.0635 17.4674 179.1717 136 A 3.9253 7.8942 119.0506 55.6156 18.1940 179.7721 137 A 3.9956 7.7164 117.3974 54.6535 18.4681 179.6028 138 L 4.0836 7.6415 117.7898 57.9742 41.5226 179.3567 139 E 3.9537 8.0031 116.8362 59.4436 29.4508 178.6201 140 H 4.1953 7.4441 116.1688 58.8884 28.8207 175.1437 141 H 4.5132 7.6445 121.2570 56.0341 28.6320 175.0204 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 8.30 4.20 0.00 2.01 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 2.27 2.37 0.00 3 A 7.71 3.88 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 4 V 7.68 3.63 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 0.94 0.00 0.00 0.67 0.00 0.00 5 K 7.98 3.85 0.00 1.86 1.94 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.60 7.81 6 T 7.83 3.85 4.45 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 1.26 0.00 0.00 7 F 8.20 4.11 0.00 3.25 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.83 4.39 0.00 2.98 2.88 0.00 0.00 6.73 7.60 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 9 S 8.30 4.11 0.00 3.87 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 10 E 8.11 3.90 0.00 1.91 1.87 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 2.46 2.46 0.00 11 L 7.75 3.57 0.00 0.76 1.40 0.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.11 4.07 0.00 3.11 3.02 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 13 S 7.87 4.36 0.00 4.20 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 0.00 14 L 7.69 4.14 0.00 1.55 1.76 0.50 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.52 4.25 0.00 2.74 2.82 0.00 0.00 6.98 9.07 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 16 D 7.96 4.36 0.00 1.75 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 0.00 0.00 0.00 17 Y 7.45 4.84 0.00 3.15 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.74 4.22 0.00 1.74 1.77 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.50 7.81 19 P 0.00 4.56 0.00 2.00 1.97 0.00 3.56 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 1.87 2.09 0.00 20 P 0.00 4.46 0.00 2.06 2.03 0.00 3.68 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 2.04 2.12 0.00 21 I 8.17 4.12 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.84 0.00 0.00 22 S 8.22 4.27 0.00 3.97 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 0.00 23 K 8.57 3.79 0.00 1.84 1.81 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 24 A 7.94 3.93 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 25 K 8.09 3.77 0.00 1.58 1.74 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.41 7.81 26 M 7.85 4.04 0.00 2.10 2.18 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 2.63 2.82 0.00 27 T 8.20 3.87 4.39 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 1.20 0.00 0.00 28 Q 8.33 4.00 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 29 I 7.86 3.70 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.90 0.00 0.00 30 T 8.12 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 K 8.47 3.98 0.00 2.02 1.91 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 32 A 8.15 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.26 3.82 1.09 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 0.00 0.00 34 I 8.26 4.05 1.99 0.00 0.00 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 1.78 0.93 1.28 0.00 0.00 35 K 8.42 4.34 0.00 1.89 1.96 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.64 7.81 36 A 7.72 4.80 1.50 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 37 I 7.96 3.69 2.12 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.45 0.80 0.00 0.00 38 K 8.18 3.92 0.00 1.60 1.56 0.00 1.61 0.00 0.00 1.15 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.52 1.13 7.81 39 F 8.23 4.93 0.00 3.09 2.98 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 40 Y 8.30 4.20 0.00 2.26 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 41 K 7.00 3.56 0.00 1.43 1.57 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.95 0.21 7.81 42 H 8.19 4.22 0.00 3.48 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.79 3.42 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 0.46 0.00 0.00 0.78 0.00 0.00 44 V 7.89 3.23 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 0.69 0.00 0.00 0.28 0.00 0.00 45 Q 8.02 4.00 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 46 S 8.66 4.37 0.00 4.44 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.36 3.80 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 1.37 0.00 0.00 1.40 0.00 0.00 48 E 8.77 4.13 0.00 2.32 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 0.00 2.57 2.74 0.00 49 K 8.62 3.98 0.00 1.98 2.18 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.57 7.81 50 F 8.60 3.98 0.00 2.82 3.13 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 51 I 7.94 3.64 2.07 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 1.47 0.97 0.85 0.00 0.00 52 Q 8.08 4.07 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 53 K 7.76 4.29 0.00 1.75 1.83 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.64 7.81 54 C 7.12 4.05 0.00 2.54 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 0.00 0.00 0.00 55 K 8.39 4.14 0.00 2.03 1.97 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.55 7.81 56 P 0.00 4.32 0.00 2.10 2.18 0.00 3.58 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 2.09 2.14 0.00 57 E 8.02 3.94 0.00 1.79 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 1.53 1.69 0.00 58 Y 7.76 4.63 0.00 3.05 3.13 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 59 K 7.73 3.91 0.00 1.65 1.77 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.62 7.81 60 V 7.50 3.13 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 0.29 0.00 0.00 0.76 0.00 0.00 61 P 0.00 4.38 0.00 2.60 2.28 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 62 G 8.63 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 63 L 8.11 3.89 0.00 1.39 1.52 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.30 4.55 0.00 3.14 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 65 V 7.90 3.61 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 1.16 0.00 0.00 0.88 0.00 0.00 66 I 7.61 3.34 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.49 0.53 0.00 0.00 67 D 8.70 4.80 0.00 3.13 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 68 S 8.66 4.10 0.00 3.96 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 0.00 69 I 7.84 3.58 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.13 0.00 0.00 70 V 7.95 3.66 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 0.72 0.00 0.00 1.09 0.00 0.00 71 R 8.36 3.93 0.00 2.01 1.99 0.00 3.46 0.00 0.00 3.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 72 Q 8.19 3.92 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 73 S 8.35 4.40 0.00 4.29 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 0.00 74 R 8.26 3.99 0.00 1.94 1.96 0.00 2.96 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 75 H 8.00 4.16 0.00 3.20 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.54 3.81 0.00 1.88 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 77 F 8.50 4.75 0.00 3.15 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 78 G 7.83 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 79 Q 8.84 3.98 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 80 E 8.29 4.19 0.00 1.94 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 2.30 2.33 0.00 81 K 7.10 4.28 0.00 2.15 1.81 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.49 7.81 82 D 7.89 4.31 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.87 3.65 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 0.16 0.00 0.00 -0.29 0.00 0.00 84 F 8.55 4.24 0.00 3.35 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 85 A 8.52 3.98 0.69 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 0.00 0.00 86 P 0.00 4.24 0.00 2.01 2.13 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 87 R 7.85 4.08 0.00 2.11 2.11 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 88 F 8.77 4.53 0.00 3.58 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.40 4.33 0.00 4.25 4.60 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 90 N 7.64 4.40 0.00 2.91 2.99 0.00 0.00 6.89 7.88 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 91 N 7.52 4.97 0.00 2.93 2.89 0.00 0.00 6.73 7.27 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 92 I 7.63 3.88 2.16 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.89 0.00 0.00 93 I 7.76 3.75 1.93 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 1.55 0.67 0.97 0.00 0.00 94 S 8.17 4.18 0.00 3.95 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 95 T 8.28 3.95 4.67 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 1.25 0.00 0.00 96 F 8.75 3.66 0.00 3.23 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 97 Q 8.02 4.22 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 98 N 8.13 4.51 0.00 2.92 2.99 0.00 0.00 7.01 6.18 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 99 L 7.59 3.79 0.00 1.00 1.13 -0.34 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.54 4.57 0.00 3.00 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 0.00 101 R 7.73 4.37 0.00 1.92 1.92 0.00 3.12 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 102 C 7.41 4.90 0.00 2.97 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 0.00 103 P 0.00 4.29 0.00 2.16 1.99 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 104 G 8.93 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 0.00 105 D 8.14 4.52 0.00 2.62 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 0.00 106 D 8.23 4.74 0.00 2.88 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 0.00 107 K 7.90 4.09 0.00 1.82 1.94 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.60 7.81 108 S 8.09 4.21 0.00 4.09 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 0.00 109 K 7.76 4.02 0.00 1.87 1.87 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 I 7.62 3.50 2.08 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.63 0.00 0.00 111 V 7.88 3.66 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 1.11 0.00 0.00 1.07 0.00 0.00 112 R 8.02 3.85 0.00 2.07 2.08 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 113 V 7.59 3.37 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 -0.18 0.00 0.00 1.04 0.00 0.00 114 L 7.62 3.82 0.00 1.89 1.70 0.97 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.38 4.35 0.00 2.98 2.90 0.00 0.00 7.10 6.96 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 0.00 116 L 8.02 4.08 0.00 1.88 1.82 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.77 4.59 0.00 3.74 3.41 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 0.00 118 Q 8.54 4.05 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.07 4.01 0.00 1.85 2.03 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 120 N 8.41 4.71 0.00 2.95 2.89 0.00 0.00 7.18 8.71 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 0.00 121 N 8.03 4.28 0.00 2.90 2.89 0.00 0.00 6.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.19 3.55 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 -0.07 0.00 0.00 0.96 0.00 0.00 123 F 7.71 4.73 0.00 2.98 2.85 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 0.00 124 K 8.44 4.24 0.00 1.82 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.45 7.81 125 S 8.62 4.20 0.00 3.97 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 0.00 126 E 8.18 4.11 0.00 2.18 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 2.32 2.43 0.00 127 I 7.88 4.04 2.05 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 1.73 1.35 0.70 0.00 0.00 128 I 7.64 3.69 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.19 0.99 0.00 0.00 129 Q 8.13 3.95 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 130 P 0.00 4.14 0.00 2.16 2.09 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 131 L 7.55 3.89 0.00 1.65 1.24 0.30 0.13 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 0.00 132 L 8.20 4.00 0.00 1.84 1.72 0.95 0.94 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 0.00 133 D 8.86 4.38 0.00 2.79 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 0.00 134 M 8.04 3.99 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 135 A 7.91 3.69 1.44 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 0.00 0.00 136 A 7.89 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.64 4.08 0.00 1.69 1.58 0.26 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.00 3.95 0.00 1.88 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 0.00 2.26 2.30 0.00 140 H 7.44 4.20 0.00 3.25 3.25 0.00 5.84 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 0.00 141 H 7.64 4.51 0.00 3.11 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00