NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4026 8.3044 120.3222 55.2646 32.6095 175.4680 2 H 4.2946 8.5936 126.7420 55.7796 27.4739 171.9887 3 L 4.4825 8.1121 121.6270 52.8484 44.5712 177.4192 4 T 3.9921 8.1165 120.2131 62.9412 70.5421 173.9404 5 P 4.2413 0.0000 0.0000 65.5145 31.3429 178.8078 6 E 4.1011 8.0823 115.5704 58.6032 29.6143 178.9409 7 E 3.9044 7.8593 119.8683 59.3729 29.7790 178.7658 8 K 3.8180 8.0775 118.5172 59.5721 32.1452 179.2475 9 S 4.1126 8.0173 112.7048 60.8224 61.9901 176.1484 10 A 3.9569 7.6666 123.7500 54.9548 18.2022 179.4792 11 V 3.4026 7.7057 116.7974 66.5429 31.5035 178.0428 12 T 3.9044 8.0026 114.9403 66.9204 68.1680 176.1548 13 A 4.0518 7.6893 120.6914 55.3730 18.6629 179.1264 14 L 3.9365 7.8607 118.3994 57.7751 42.1011 178.8947 15 W 4.3247 8.6182 128.6739 60.3417 30.5329 178.0004 16 G 3.8171 8.2824 104.5461 46.6555 0.0000 173.9819 17 K 4.4774 7.6021 118.4447 55.9395 32.7136 176.2012 18 V 3.7366 7.4414 120.5434 62.1466 32.0257 175.9430 19 N 4.4858 8.3692 125.5191 52.4225 38.8302 175.4411 20 V 3.4484 8.0692 128.1752 66.0609 31.3034 176.9825 21 D 4.3625 8.1776 118.0175 57.6314 40.5804 178.8847 22 E 3.9034 8.3631 118.5351 59.5138 29.5395 179.5639 23 V 3.4646 7.6424 118.3774 65.8471 31.6087 178.3378 24 G 3.6780 8.4185 105.9870 47.6333 0.0000 176.0947 25 G 3.5820 7.7876 107.6552 47.3456 0.0000 175.5672 26 E 3.8768 8.3749 121.6519 58.8913 29.6662 178.8213 27 A 3.9304 8.2677 121.2295 55.1375 18.0003 179.4353 28 L 4.0017 7.9068 118.8669 57.9898 41.9932 179.2673 29 G 3.6416 8.4117 106.1719 48.1145 0.0000 175.9755 30 R 3.9621 8.4314 121.3053 58.3433 29.8830 178.8620 31 L 4.1484 7.9769 120.4908 58.4153 41.8589 179.0627 32 L 4.1616 7.7162 117.6256 56.9648 41.3493 179.6417 33 V 3.6284 7.3378 117.9191 65.9576 31.7235 178.0164 34 V 3.6049 7.8349 116.7002 64.3697 32.8955 175.5720 35 Y 4.8629 7.9673 115.9426 54.3712 38.1053 173.9722 36 P 4.6429 0.0000 0.0000 64.7206 31.6965 177.4040 37 G 3.9322 8.4757 103.8712 48.5831 0.0000 175.1456 38 T 4.2385 8.5529 112.4793 63.9346 68.7280 175.9068 39 Q 4.2499 8.4245 121.5366 58.9329 28.4277 178.6284 40 R 3.8214 8.0346 116.9079 59.1388 29.2603 178.3742 41 F 4.2705 7.4355 116.2782 58.3806 39.2475 176.1426 42 F 4.5781 7.7012 117.4057 56.8935 39.4963 177.4340 43 E 4.1034 8.3978 123.8299 59.6688 29.2897 179.4231 44 S 4.4236 8.1035 111.2834 60.3590 63.0840 174.8939 45 F 4.6301 8.5685 119.8607 58.0751 39.9446 175.8259 46 G 3.9752 7.6832 105.0326 44.0618 0.0000 174.9708 47 D 4.5182 8.7322 126.1853 54.3481 39.4070 175.8208 48 L 4.8434 8.2814 128.0859 54.2616 42.6255 179.1429 49 S 4.3897 8.0985 116.4525 61.2995 63.0558 175.0345 50 T 4.7126 7.4216 107.4098 58.0121 72.9615 172.6182 51 P 4.2082 0.0000 0.0000 66.4199 31.2785 178.6917 52 D 4.3374 8.1128 116.4235 57.1868 40.5164 178.5753 53 A 3.9964 7.4062 120.0878 55.0227 18.5300 179.6291 54 V 3.6967 7.9547 116.9592 66.4482 31.5404 177.8863 55 M 4.3486 8.1430 115.7711 56.7056 32.0083 177.7287 56 G 4.0466 7.5543 104.8694 43.9097 0.0000 173.3297 57 N 4.3673 7.5747 121.3210 52.9340 39.0051 173.7016 58 P 4.3053 0.0000 0.0000 64.9417 31.4132 178.2513 59 K 3.7254 9.9878 119.1223 58.8199 32.1118 179.0709 60 V 3.6804 7.7938 118.0640 66.0387 31.3607 178.0752 61 K 3.9480 8.2627 118.1350 59.4013 31.9851 179.2617 62 A 4.0116 7.7311 121.2329 55.3120 18.2962 179.2138 63 H 4.4569 8.3431 117.0279 59.1368 29.9444 177.5788 64 G 3.6787 8.1660 107.7684 47.8191 0.0000 175.2894 65 K 3.9341 7.8247 122.3633 59.2192 32.0157 178.6953 66 K 4.0239 8.0270 119.4467 59.3781 32.2281 179.0718 67 V 3.7221 8.0777 118.8085 66.1165 31.5743 178.1429 68 L 4.4512 8.6976 119.1391 57.5753 41.3658 179.7364 69 G 3.7577 8.5564 106.2886 47.7707 0.0000 175.6550 70 A 4.1455 8.0120 123.0927 54.6526 18.5486 179.5305 71 F 4.0334 8.3458 119.2227 61.4953 39.5313 177.5196 72 S 4.1433 8.5871 114.9405 61.7648 62.4267 176.4470 73 D 4.4659 7.8032 120.4755 57.2768 40.8967 178.8129 74 G 3.6677 7.8478 105.6000 47.3402 0.0000 175.8592 75 L 3.8184 7.2774 120.0341 57.2306 41.7003 178.4215 76 A 4.2804 7.5755 117.8392 52.9876 18.8518 176.9220 77 H 4.9368 7.9386 115.3699 55.0234 30.1324 175.6908 78 L 3.9859 8.1603 120.8876 57.5639 41.6780 178.5701 79 D 4.4827 7.9295 117.0549 56.0499 41.8895 175.7625 80 N 5.0547 8.2790 117.6880 51.6097 39.1595 175.1287 81 L 4.1308 7.8124 121.7156 57.9210 42.3039 179.3510 82 K 4.0731 8.1609 118.2091 59.5926 31.7934 179.3191 83 G 3.6648 7.9484 104.4433 47.7393 0.0000 175.7771 84 T 3.8379 7.7184 117.3602 65.4634 68.6043 175.7936 85 F 4.6873 8.1680 116.9370 56.7988 39.5266 177.0745 86 A 4.0859 7.6129 122.4317 55.7411 18.1708 180.2278 87 T 3.8651 7.8567 107.5174 65.0271 68.9193 176.6133 88 L 4.1107 7.9548 121.4125 57.2978 41.6745 179.2427 89 S 4.3143 8.4148 113.5412 61.5999 62.4721 175.7354 90 E 3.8634 8.1499 121.2533 59.4992 29.2580 179.4007 91 L 3.8850 7.9942 119.8931 58.6762 42.2601 178.8999 92 H 4.1953 8.5722 116.0115 58.6406 28.6358 176.9108 93 C 3.5789 7.8823 120.7833 61.9061 31.1930 175.3281 94 D 4.3100 8.2898 120.6613 56.6679 40.5646 177.9147 95 K 4.1526 7.6256 117.4663 58.3599 32.7376 177.9666 96 L 4.1865 7.6627 115.5946 54.7997 42.5850 176.0697 97 H 4.0389 7.1502 114.0257 56.6111 26.4449 175.2090 98 V 3.9001 7.7026 118.0780 61.1728 32.6625 174.7222 99 D 4.3175 8.5817 127.1303 53.5589 41.4885 174.9859 100 P 2.9700 0.0000 0.0000 64.5664 30.7440 178.1619 101 E 3.7988 7.9365 117.4240 59.3249 29.2852 178.8601 102 N 4.3043 8.1223 116.5449 55.7713 38.5678 177.3553 103 F 4.5629 7.7074 119.9062 60.5845 38.8797 177.7738 104 R 4.0028 7.7935 117.4166 59.0816 29.7814 179.0773 105 L 3.8313 7.7160 118.4341 57.7009 41.6264 179.1696 106 L 4.1555 7.9553 119.9927 57.9178 42.0018 179.2794 107 G 3.6672 8.0174 105.7469 47.8720 0.0000 175.5729 108 N 4.4840 8.4478 119.0777 55.8334 38.5728 177.8110 109 V 3.6454 8.0823 119.8930 65.8124 31.7212 177.6850 110 L 3.8738 8.3502 120.5733 58.3128 41.8745 179.1827 111 V 3.5498 7.8676 117.9925 66.2641 31.4849 177.8262 112 C 4.1421 8.1823 116.4300 62.4644 27.8776 176.3729 113 V 3.4895 7.7060 120.1463 65.8931 31.0589 177.9911 114 L 3.8395 7.5454 118.3373 57.7542 41.3671 179.4913 115 A 3.3986 7.2462 120.5668 55.0636 18.0268 179.1032 116 H 3.9359 7.9328 115.8847 59.7229 29.9713 176.8304 117 H 4.1727 8.0599 116.8631 57.7388 29.1194 176.8038 118 F 4.7681 8.4872 118.1533 55.5298 39.7239 177.7928 119 G 3.9358 8.8727 108.3149 45.9512 0.0000 175.8139 120 K 3.8210 9.2175 121.7565 59.4406 31.6847 177.0082 121 E 4.1648 8.1762 116.2597 57.3263 30.0907 176.8758 122 F 4.6297 8.0159 122.7425 57.8730 37.9556 175.3124 123 T 4.2287 7.2265 115.4114 60.2412 71.4141 173.5614 124 P 4.1613 0.0000 0.0000 65.6019 31.2685 177.0857 125 P 4.1828 0.0000 0.0000 65.4979 31.2285 178.8535 126 V 3.5115 7.2141 116.6857 65.7873 31.3307 177.6470 127 Q 3.7125 7.6881 119.2131 59.2987 28.9337 178.3820 128 A 3.9978 8.1907 121.4844 55.1299 18.3469 179.4928 129 A 3.9023 7.8480 118.8632 55.6051 18.4006 179.5448 130 Y 3.9956 8.1646 115.2756 61.1027 37.8923 178.7149 131 Q 4.1192 8.6562 119.5702 58.9646 28.9381 178.9404 132 K 3.9469 7.9992 119.2493 59.3970 32.1056 179.4979 133 V 3.4667 7.6552 118.3417 66.1697 31.5220 178.3061 134 V 3.7882 8.3708 118.0370 65.9599 31.2226 177.8019 135 A 4.1669 8.2669 120.8941 54.8424 18.2513 179.8242 136 G 3.4529 7.9785 104.1034 47.4058 0.0000 176.3400 137 V 3.1644 7.7487 120.3936 65.5611 31.3619 177.7496 138 A 3.8905 7.5366 119.2086 55.4872 18.4623 179.0431 139 N 4.3955 8.3675 114.7248 56.3518 38.4401 177.5971 140 A 3.9854 7.8722 122.2002 55.1375 18.3038 179.6976 141 L 3.8918 7.9796 116.2305 56.9326 41.9483 178.5540 142 A 4.4068 7.6988 119.2272 52.8964 19.2006 178.3108 143 H 4.2702 7.9625 116.7724 58.5075 29.9166 175.7967 144 K 4.4435 7.6791 116.9242 56.0411 32.2185 176.0538 145 Y 3.9286 8.0034 118.0625 58.2837 38.2724 175.9154 146 H 4.5147 8.1692 118.6878 55.8831 28.7665 173.0437 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.40 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 2 H 8.59 4.29 0.00 3.16 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.11 4.48 0.00 1.58 1.48 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.12 3.99 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 1.20 0.00 0.00 5 P 0.00 4.24 0.00 2.13 2.06 0.00 3.56 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 2.09 2.11 0.00 6 E 8.08 4.10 0.00 2.13 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 0.00 2.33 2.32 0.00 7 E 7.86 3.90 0.00 2.21 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 2.34 2.34 0.00 8 K 8.08 3.82 0.00 1.88 1.82 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 9 S 8.02 4.11 0.00 3.91 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 10 A 7.67 3.96 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 11 V 7.71 3.40 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 0.46 0.00 0.00 0.52 0.00 0.00 12 T 8.00 3.90 4.49 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 1.25 0.00 0.00 13 A 7.69 4.05 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 14 L 7.86 3.94 0.00 1.95 1.91 0.35 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.62 4.32 0.00 3.90 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 16 G 8.28 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 17 K 7.60 4.48 0.00 1.95 1.97 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.53 7.81 18 V 7.44 3.74 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.62 0.00 0.00 19 N 8.37 4.49 0.00 2.72 2.60 0.00 0.00 6.84 7.71 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 20 V 8.07 3.45 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 1.12 0.00 0.00 0.89 0.00 0.00 21 D 8.18 4.36 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.36 3.90 0.00 1.94 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 2.28 2.39 0.00 23 V 7.64 3.46 1.98 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 0.93 0.00 0.00 0.59 0.00 0.00 24 G 8.42 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 25 G 7.79 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 3.88 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 27 A 8.27 3.93 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 28 L 7.91 4.00 0.00 1.85 1.61 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.41 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.43 3.96 0.00 1.87 1.98 0.00 3.09 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 31 L 7.98 4.15 0.00 1.87 1.93 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.72 4.16 0.00 1.77 1.75 0.69 0.99 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 33 V 7.34 3.63 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 0.75 0.00 0.00 0.92 0.00 0.00 34 V 7.83 3.60 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 35 Y 7.97 4.86 0.00 3.23 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.64 0.00 2.19 2.16 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 37 G 8.48 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 38 T 8.55 4.24 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 1.40 0.00 0.00 39 Q 8.42 4.25 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 40 R 8.03 3.82 0.00 1.69 1.87 0.00 2.63 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.00 41 F 7.44 4.27 0.00 2.37 2.64 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 42 F 7.70 4.58 0.00 2.95 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 43 E 8.40 4.10 0.00 2.02 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 0.00 2.42 2.32 0.00 44 S 8.10 4.42 0.00 4.12 4.10 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 45 F 8.57 4.63 0.00 3.18 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 46 G 7.68 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 47 D 8.73 4.52 0.00 2.66 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 48 L 8.28 4.84 0.00 1.76 1.64 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.10 4.39 0.00 3.99 4.09 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 50 T 7.42 4.71 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 1.21 0.00 0.00 51 P 0.00 4.21 0.00 2.16 2.15 0.00 3.59 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 2.11 2.19 0.00 52 D 8.11 4.34 0.00 2.68 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 53 A 7.41 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.95 3.70 2.23 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 1.07 0.00 0.00 0.97 0.00 0.00 55 M 8.14 4.35 0.00 2.00 2.08 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 2.60 2.88 0.00 56 G 7.55 4.05 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 0.00 0.00 0.00 57 N 7.57 4.37 0.00 2.84 2.83 0.00 0.00 6.78 7.55 0.00 0.00 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 P 0.00 4.31 0.00 2.24 2.25 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 K 9.99 3.73 0.00 1.61 0.74 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 1.25 7.81 60 V 7.79 3.68 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 1.04 0.00 0.00 1.04 0.00 0.00 61 K 8.26 3.95 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 62 A 7.73 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.34 4.46 0.00 3.47 3.59 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.17 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 65 K 7.82 3.93 0.00 1.80 2.08 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 K 8.03 4.02 0.00 2.27 2.01 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.53 7.81 67 V 8.08 3.72 2.28 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 1.07 0.00 0.00 1.04 0.00 0.00 68 L 8.70 4.45 0.00 1.96 1.91 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.56 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 70 A 8.01 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.35 4.03 0.00 3.29 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 72 S 8.59 4.14 0.00 4.33 4.14 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 73 D 7.80 4.47 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 3.67 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 0.00 0.00 0.00 75 L 7.28 3.82 0.00 1.53 1.48 0.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.58 4.28 1.23 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 0.00 0.00 0.00 77 H 7.94 4.94 0.00 3.12 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.16 3.99 0.00 1.56 1.67 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 4.48 0.00 2.65 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 80 N 8.28 5.05 0.00 2.69 2.62 0.00 0.00 7.03 6.30 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 81 L 7.81 4.13 0.00 1.75 1.83 0.89 1.04 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 82 K 8.16 4.07 0.00 1.80 1.85 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.42 7.81 83 G 7.95 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 0.00 0.00 0.00 84 T 7.72 3.84 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 0.55 0.00 0.00 85 F 8.17 4.69 0.00 3.10 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 86 A 7.61 4.09 1.45 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 0.00 0.00 87 T 7.86 3.87 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 88 L 7.95 4.11 0.00 2.03 1.85 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.41 4.31 0.00 4.07 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 0.00 90 E 8.15 3.86 0.00 2.20 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 2.50 0.00 91 L 7.99 3.89 0.00 1.79 1.90 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.57 4.20 0.00 3.53 3.75 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.88 3.58 0.00 1.23 2.30 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 94 D 8.29 4.31 0.00 2.67 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 95 K 7.63 4.15 0.00 1.84 1.79 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 96 L 7.66 4.19 0.00 1.52 1.65 0.69 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.15 4.04 0.00 3.52 3.39 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.70 3.90 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 0.33 0.00 0.00 0.42 0.00 0.00 99 D 8.58 4.32 0.00 2.71 2.66 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 0.00 100 P 0.00 2.97 0.00 1.74 1.43 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.00 101 E 7.94 3.80 0.00 1.87 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 2.34 2.42 0.00 102 N 8.12 4.30 0.00 2.63 2.79 0.00 0.00 6.90 8.26 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 0.00 103 F 7.71 4.56 0.00 2.99 2.89 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 0.00 104 R 7.79 4.00 0.00 1.98 1.95 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 105 L 7.72 3.83 0.00 1.60 1.18 0.47 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.96 4.16 0.00 1.85 1.74 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.02 3.67 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 0.00 0.00 0.00 108 N 8.45 4.48 0.00 2.88 2.94 0.00 0.00 6.67 7.24 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 0.00 109 V 8.08 3.65 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 1.06 0.00 0.00 1.23 0.00 0.00 110 L 8.35 3.87 0.00 1.77 1.81 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.87 3.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.13 0.00 0.00 112 C 8.18 4.14 0.00 3.16 2.95 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 0.00 113 V 7.71 3.49 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 0.85 0.00 0.00 0.88 0.00 0.00 114 L 7.55 3.84 0.00 1.32 1.33 0.52 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.25 3.40 1.17 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 0.00 0.00 116 H 7.93 3.94 0.00 3.22 3.45 0.00 5.77 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 0.00 117 H 8.06 4.17 0.00 2.80 2.52 0.00 5.69 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 0.00 118 F 8.49 4.77 0.00 3.26 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 0.00 119 G 8.87 3.94 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 0.00 120 K 9.22 3.82 0.00 1.81 1.97 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.43 7.81 121 E 8.18 4.16 0.00 2.06 2.28 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 2.30 2.26 0.00 122 F 8.02 4.63 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.23 4.23 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 1.25 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.15 0.00 3.58 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 2.12 2.20 0.00 125 P 0.00 4.18 0.00 2.11 2.07 0.00 3.46 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 2.08 2.12 0.00 126 V 7.21 3.51 1.79 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 0.95 0.00 0.00 0.86 0.00 0.00 127 Q 7.69 3.71 0.00 1.81 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 128 A 8.19 4.00 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 0.00 129 A 7.85 3.90 1.23 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 0.00 0.00 0.00 130 Y 8.16 4.00 0.00 3.29 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.66 4.12 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 8.00 3.95 0.00 2.00 1.84 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 133 V 7.66 3.47 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.77 0.00 0.00 134 V 8.37 3.79 2.45 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 1.06 0.00 0.00 1.20 0.00 0.00 135 A 8.27 4.17 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 0.00 136 G 7.98 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 0.00 0.00 0.00 137 V 7.75 3.16 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 0.43 0.00 0.00 0.61 0.00 0.00 138 A 7.54 3.89 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 0.00 139 N 8.37 4.40 0.00 2.91 2.85 0.00 0.00 6.97 8.26 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 0.00 140 A 7.87 3.99 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 0.00 141 L 7.98 3.89 0.00 1.28 1.12 -0.43 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.70 4.41 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.96 4.27 0.00 3.26 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.68 4.44 0.00 1.85 1.82 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.74 7.81 145 Y 8.00 3.93 0.00 3.09 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 0.00 146 H 8.17 4.51 0.00 3.16 3.22 0.00 5.75 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