NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8784 8.0549 120.3088 60.8607 33.2597 173.0502 2 L 3.6232 7.9581 124.9889 52.2540 37.9034 173.0568 3 S 4.2516 9.1701 120.3860 57.9163 65.7107 172.8010 4 P 4.1934 0.0000 0.0000 66.1829 30.9448 178.7811 5 A 4.0132 7.8981 118.7643 55.0346 18.4173 178.9609 6 D 4.3074 8.1331 117.4815 57.8199 40.8341 179.4800 7 K 3.9630 7.9494 118.1404 59.3505 32.0391 179.5845 8 T 3.8274 7.8649 116.1997 66.7028 68.3913 176.3513 9 N 4.3152 8.4257 118.5853 56.3785 38.7115 177.5721 10 I 3.5783 7.7476 121.1320 64.3892 36.8836 178.7659 11 K 4.0212 8.2502 119.5070 59.2156 31.7800 179.8184 12 S 4.1961 8.0937 115.8274 61.8653 63.0967 176.8294 13 T 3.9527 7.9910 112.4111 64.4939 68.4457 176.2448 14 W 3.9558 8.3167 130.7682 59.8917 30.4497 177.8923 15 D 4.3591 7.6024 118.3224 57.4521 40.4309 178.6882 16 K 4.1230 7.9748 117.5010 58.9286 32.2414 179.1491 17 I 3.7786 7.6699 113.6076 60.4769 38.1588 178.6956 18 G 3.6776 8.2868 107.6435 46.4358 0.0000 176.3484 19 G 3.7073 8.7691 113.6003 46.8762 0.0000 174.3841 20 H 4.0008 8.0781 117.4603 57.6080 28.3646 177.1481 21 A 3.5896 7.1846 122.3660 54.9940 18.4585 179.4692 22 G 3.7106 7.8492 103.4631 48.2115 0.0000 175.5232 23 D 4.4571 7.8784 120.8585 57.1518 40.8893 178.2209 24 Y 4.5560 7.7526 117.1606 60.3322 37.7636 178.4856 25 G 3.7629 8.0037 107.0618 47.8271 0.0000 176.0466 26 G 3.6471 8.0660 108.2774 47.3072 0.0000 175.2391 27 E 3.9326 8.1864 121.1252 59.0446 29.6602 178.8191 28 A 3.9123 8.1570 120.6800 54.6552 18.3878 179.7570 29 L 3.4909 7.8106 117.9525 57.6784 41.5992 178.6531 30 D 4.4124 7.8396 117.9361 57.7794 41.0566 178.6138 31 R 3.8207 8.1244 118.3847 59.5791 30.0744 179.0785 32 T 3.9279 7.5038 114.9224 66.8881 68.1045 176.6596 33 F 4.6843 7.8871 119.4674 60.6381 38.6856 177.9519 34 Q 4.0542 8.2228 117.0403 59.1985 28.7361 178.5267 35 S 4.2221 8.2198 115.1936 59.7062 63.1202 174.2319 36 F 4.8255 8.2063 120.6575 54.3515 40.0437 173.3800 37 P 4.8455 0.0000 0.0000 63.9770 31.0751 177.7566 38 T 4.0894 8.0294 113.3983 64.9807 67.3632 175.7148 39 T 4.0828 8.0462 111.8940 64.4284 69.0271 176.7690 40 K 4.1205 8.0654 120.1960 59.0821 31.7374 179.0009 41 T 4.0345 7.3705 115.4230 66.7944 68.3467 175.4829 42 Y 4.0670 7.9467 116.8484 58.8076 39.0159 176.0514 43 F 4.3494 8.0491 118.8636 54.7243 39.1637 172.9017 44 P 4.3955 0.0000 0.0000 65.3981 31.7617 178.1528 45 H 4.5713 8.0043 110.8008 56.6433 28.8122 174.7979 46 F 5.0550 7.5722 120.0293 55.8720 40.2410 175.1195 47 D 4.4473 9.1592 125.7991 54.4015 41.3428 175.8987 48 L 4.5703 8.3191 124.7076 53.9719 43.1637 176.6433 49 S 4.2008 8.0342 114.7543 58.0809 62.5776 172.8508 50 P 3.7842 0.0000 0.0000 66.3244 31.7590 176.5884 51 G 3.8728 7.9293 107.5090 45.8555 0.0000 173.3223 52 S 3.8468 7.8950 113.9052 58.1322 62.9240 175.1244 53 A 4.0017 8.6470 131.3943 54.9743 18.3272 179.1065 54 Q 3.5412 7.6066 118.4553 59.2222 29.1458 178.3802 55 V 3.6986 7.4198 118.7460 65.8588 31.7187 177.1591 56 K 3.7470 7.8173 118.6121 59.8447 31.8703 178.1074 57 A 4.0069 7.9392 120.3921 55.5399 18.3540 179.1394 58 H 4.3390 8.3247 116.3317 59.5107 30.0215 177.3591 59 G 3.9024 8.7211 107.9520 47.9835 0.0000 175.4323 60 K 4.0794 7.9551 121.2076 59.3107 32.3208 178.8112 61 K 3.8908 8.2234 118.9265 59.6759 31.9919 179.3188 62 V 3.5953 8.2889 118.2929 66.0495 31.5295 177.8838 63 A 4.2590 8.2795 120.5900 55.2712 18.2066 179.1074 64 D 4.3801 8.5649 117.4994 57.7368 41.1218 178.8051 65 A 4.0810 8.1052 120.9478 55.5954 18.3170 179.7542 66 L 4.1678 8.1834 117.1603 58.0999 41.5026 179.8377 67 T 4.1504 8.5637 115.6155 66.7737 68.6734 176.4805 68 T 4.0615 8.1240 117.5333 66.6540 68.4842 176.1150 69 A 4.0562 7.8668 122.1444 55.5292 18.2310 179.8327 70 V 3.3072 7.5092 114.0939 64.7393 31.5652 176.8782 71 A 4.5011 7.6906 118.3620 52.4229 19.9858 176.3754 72 H 4.9544 8.4679 115.9136 54.8741 30.0397 175.7607 73 L 4.0820 8.0764 120.7031 57.9223 41.8911 178.8114 74 D 4.4595 7.9639 116.3988 55.9780 41.1913 176.6295 75 D 4.4902 7.9990 118.7650 52.1702 42.8697 175.0047 76 L 4.1038 8.1911 126.4298 56.5613 42.2118 176.6337 77 P 4.2889 0.0000 0.0000 65.6216 31.4724 178.4412 78 G 3.9279 8.4734 104.7176 47.4076 0.0000 175.5000 79 A 4.2157 7.3813 121.7419 53.3258 18.3247 178.0220 80 L 4.7729 8.2381 117.1859 54.1889 42.8407 178.8154 81 S 4.1364 7.8690 115.9516 61.0264 62.7815 176.1110 82 A 3.9834 7.9270 124.4646 55.2502 18.2256 179.4313 83 L 4.1487 7.9011 116.7265 57.4759 41.6806 179.6443 84 S 4.1638 7.7546 115.5203 61.8454 62.9250 176.2900 85 D 4.4477 7.9016 121.2743 57.2748 40.5788 178.8726 86 L 3.9565 8.0002 120.7443 58.6800 42.0811 178.8309 87 H 4.3424 8.5295 116.1314 58.8179 28.3039 177.1459 88 A 3.8267 8.5584 123.2880 54.6505 18.1270 179.2733 89 Y 4.1933 7.5431 114.3115 60.8727 38.5050 177.9145 90 K 4.2444 8.1505 118.6845 58.8540 32.7427 177.7210 91 L 4.1009 8.5036 117.4910 55.7347 42.2002 177.2258 92 R 3.9304 7.5976 116.7002 57.0831 27.9937 175.5885 93 V 4.2111 7.5965 110.6574 61.6579 32.8017 175.4924 94 D 5.0048 8.3567 120.1289 51.9435 42.4988 175.2332 95 P 4.6990 0.0000 0.0000 65.6885 31.1315 178.7295 96 V 3.6515 7.8059 116.3252 65.7483 31.4086 177.3778 97 N 4.4103 8.5744 116.0329 55.2550 38.3532 177.2084 98 F 4.1592 8.0195 119.8618 60.0084 38.5820 177.4773 99 K 3.9615 8.2239 118.9496 59.4154 32.0323 178.7038 100 L 3.8493 7.5289 119.0538 57.6191 41.6966 179.1299 101 L 3.9849 7.9134 120.1992 58.1620 42.0896 179.1565 102 S 3.9594 8.1040 115.3462 61.4397 62.6109 176.0480 103 H 4.2308 7.9882 120.4039 59.5966 29.3746 176.9997 104 C 4.1864 8.0134 117.1824 61.7880 27.8097 175.9267 105 L 3.8935 8.0259 121.8878 57.3180 41.0120 179.2858 106 L 4.1504 7.6702 118.6313 57.9235 41.7916 179.5669 107 V 3.3703 7.9010 118.4807 66.2629 31.3213 178.2593 108 T 3.6596 7.4573 115.0888 66.2446 68.1735 176.6198 109 L 3.8903 7.3806 120.7264 57.8925 41.5015 179.5455 110 A 3.3523 7.2540 119.2371 55.0787 18.2133 179.2389 111 C 4.0321 7.4767 113.6964 62.2076 28.1076 174.9150 112 H 4.7144 7.2515 114.4941 55.5972 31.8201 174.0461 113 H 4.9930 8.1776 116.8505 53.6517 29.1634 172.5856 114 P 4.4285 0.0000 0.0000 65.9061 32.0737 179.7740 115 T 3.9489 8.0399 115.1451 65.6034 68.5040 174.7310 116 E 4.4441 8.0910 117.3890 56.5418 31.0564 176.5531 117 F 4.5987 7.5806 124.1784 57.1041 37.9865 175.2043 118 T 4.3790 7.2239 115.1148 59.5888 72.1192 173.6914 119 P 4.0341 0.0000 0.0000 66.4796 30.4246 178.4147 120 A 3.9199 7.8821 119.7608 54.6868 18.1905 179.5996 121 V 3.5940 7.3057 116.0391 66.1549 31.6714 177.5810 122 H 3.9728 8.4779 118.1369 59.3654 29.3943 177.0114 123 A 4.0053 8.0947 122.4206 54.7156 18.1938 179.4537 124 S 4.2835 7.6144 112.4218 60.8148 63.1515 176.8289 125 L 3.8629 8.2569 122.3504 57.6507 41.5017 178.7198 126 D 4.5363 8.2640 118.0528 57.4875 41.1430 178.6180 127 K 4.0153 7.9386 118.7431 59.1729 32.0921 179.1293 128 F 4.0931 8.1172 120.9835 61.4608 39.2404 177.3392 129 F 4.1470 7.7738 117.1459 60.2620 38.6037 177.6276 130 A 3.9854 7.9815 120.0241 54.9785 18.2119 179.5489 131 A 3.8429 7.8426 119.3129 55.2662 18.3398 180.0658 132 V 3.4069 7.3943 116.6070 66.1117 31.5357 178.5138 133 S 3.8464 8.2522 115.3896 61.7389 62.4113 176.7798 134 T 3.7512 7.7025 117.6730 66.4230 68.4654 176.6719 135 V 3.6262 7.5808 120.1659 65.8617 31.3653 177.9698 136 L 4.0417 7.3550 117.2501 56.6083 41.8503 178.2670 137 T 3.9163 7.2784 108.7804 61.3779 68.9101 176.5712 138 S 4.0368 7.5386 118.1683 61.4853 63.0294 176.4270 139 K 4.0173 7.4234 118.2753 58.1344 32.1397 177.6350 140 Y 4.4211 7.4988 116.9159 60.7933 38.1078 175.9153 141 R 4.1478 7.6369 122.3793 56.4471 30.1044 176.2233 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 V 8.05 3.88 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 0.91 0.00 0.00 0.92 0.00 0.00 2 L 7.96 3.62 0.00 1.87 1.93 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.17 4.25 0.00 4.03 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 4 P 0.00 4.19 0.00 2.16 2.16 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 2.11 2.17 0.00 5 A 7.90 4.01 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 6 D 8.13 4.31 0.00 3.01 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 7 K 7.95 3.96 0.00 1.91 1.79 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.64 7.81 8 T 7.86 3.83 4.40 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 1.20 0.00 0.00 9 N 8.43 4.32 0.00 2.97 2.85 0.00 0.00 7.08 7.32 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 10 I 7.75 3.58 1.58 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 -0.08 0.00 0.00 11 K 8.25 4.02 0.00 1.90 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.57 7.81 12 S 8.09 4.20 0.00 3.91 3.91 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 0.00 0.00 0.00 13 T 7.99 3.95 4.36 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 1.37 0.00 0.00 14 W 8.32 3.96 0.00 3.66 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 15 D 7.60 4.36 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.97 4.12 0.00 1.69 1.78 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 I 7.67 3.78 1.75 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.20 0.72 0.00 0.00 18 G 8.29 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 19 G 8.77 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 0.00 0.00 0.00 20 H 8.08 4.00 0.00 2.85 2.27 0.00 5.64 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 21 A 7.18 3.59 1.10 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 0.00 0.00 22 G 7.85 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 0.00 0.00 0.00 23 D 7.88 4.46 0.00 2.81 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 24 Y 7.75 4.56 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 25 G 8.00 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 26 G 8.07 3.65 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 0.00 0.00 0.00 27 E 8.19 3.93 0.00 2.12 1.96 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 2.24 2.29 0.00 28 A 8.16 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.49 0.00 1.74 1.26 1.00 0.67 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 30 D 7.84 4.41 0.00 2.95 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 31 R 8.12 3.82 0.00 1.78 1.88 0.00 3.08 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 32 T 7.50 3.93 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 1.30 0.00 0.00 33 F 7.89 4.68 0.00 3.25 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 34 Q 8.22 4.05 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.77 0.00 35 S 8.22 4.22 0.00 2.72 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 36 F 8.21 4.83 0.00 3.14 2.96 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 37 P 0.00 4.85 0.00 2.31 2.34 0.00 4.00 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 38 T 8.03 4.09 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 1.33 0.00 0.00 39 T 8.05 4.08 4.51 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 0.00 0.00 0.00 1.38 0.00 0.00 40 K 8.07 4.12 0.00 1.78 1.51 0.00 1.46 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.64 7.81 41 T 7.37 4.03 4.38 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 0.85 0.00 0.00 42 Y 7.95 4.07 0.00 2.86 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.35 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.19 2.07 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 45 H 8.00 4.57 0.00 3.40 3.49 0.00 5.51 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 46 F 7.57 5.05 0.00 2.90 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 47 D 9.16 4.45 0.00 2.56 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 48 L 8.32 4.57 0.00 1.54 1.53 0.76 0.72 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 49 S 8.03 4.20 0.00 3.93 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.78 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 51 G 7.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.89 3.85 0.00 4.07 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 53 A 8.65 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.61 3.54 0.00 1.76 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 55 V 7.42 3.70 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 0.94 0.00 0.00 1.06 0.00 0.00 56 K 7.82 3.75 0.00 2.12 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 57 A 7.94 4.01 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 58 H 8.32 4.34 0.00 3.76 3.79 0.00 5.81 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 59 G 8.72 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 0.00 0.00 0.00 60 K 7.96 4.08 0.00 1.99 2.00 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.63 7.81 61 K 8.22 3.89 0.00 2.03 1.93 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.76 7.81 62 V 8.29 3.60 2.27 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 1.06 0.00 0.00 0.92 0.00 0.00 63 A 8.28 4.26 1.52 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 0.00 0.00 64 D 8.56 4.38 0.00 2.95 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 65 A 8.11 4.08 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 66 L 8.18 4.17 0.00 2.33 1.92 1.32 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.56 4.15 4.51 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 0.00 0.00 0.00 1.42 0.00 0.00 68 T 8.12 4.06 4.37 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 1.26 0.00 0.00 69 A 7.87 4.06 1.56 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 0.00 0.00 70 V 7.51 3.31 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 0.60 0.00 0.00 -0.45 0.00 0.00 71 A 7.69 4.50 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 72 H 8.47 4.95 0.00 3.18 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.08 4.08 0.00 1.59 1.72 0.80 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.96 4.46 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.00 4.49 0.00 2.71 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 0.00 0.00 0.00 0.00 76 L 8.19 4.10 0.00 1.70 1.65 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.29 0.00 1.99 2.10 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 78 G 8.47 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 79 A 7.38 4.22 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 80 L 8.24 4.77 0.00 1.69 1.58 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.87 4.14 0.00 4.10 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 82 A 7.93 3.98 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 83 L 7.90 4.15 0.00 1.74 1.84 0.97 1.01 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 84 S 7.75 4.16 0.00 3.97 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 85 D 7.90 4.45 0.00 2.88 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 86 L 8.00 3.96 0.00 1.92 1.85 0.88 1.03 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 87 H 8.53 4.34 0.00 3.43 3.47 0.00 5.86 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 88 A 8.56 3.83 0.45 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 89 Y 7.54 4.19 0.00 3.23 2.97 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 90 K 8.15 4.24 0.00 1.76 1.98 0.00 1.78 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 1.48 7.81 91 L 8.50 4.10 0.00 1.76 1.74 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.60 3.93 0.00 1.98 2.06 0.00 3.24 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 93 V 7.60 4.21 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 0.36 0.00 0.00 1.41 0.00 0.00 94 D 8.36 5.00 0.00 2.75 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 95 P 0.00 4.70 0.00 2.23 2.17 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 96 V 7.81 3.65 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 0.98 0.00 0.00 0.93 0.00 0.00 97 N 8.57 4.41 0.00 2.51 2.56 0.00 0.00 6.91 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 98 F 8.02 4.16 0.00 3.10 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 99 K 8.22 3.96 0.00 2.00 1.78 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.57 7.81 100 L 7.53 3.85 0.00 1.72 1.50 0.64 -0.36 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 0.00 101 L 7.91 3.98 0.00 1.66 1.69 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.10 3.96 0.00 4.06 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 0.00 103 H 7.99 4.23 0.00 3.27 3.58 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.01 4.19 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.89 0.00 1.20 0.77 0.86 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.67 4.15 0.00 2.01 1.86 1.23 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.90 3.37 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 0.91 0.00 0.00 0.77 0.00 0.00 108 T 7.46 3.66 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 109 L 7.38 3.89 0.00 1.91 1.66 0.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.25 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.48 4.03 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.25 4.71 0.00 2.77 3.01 0.00 5.60 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 0.00 113 H 8.18 4.99 0.00 3.17 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.43 0.00 2.24 2.31 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 115 T 8.04 3.95 4.29 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 1.24 0.00 0.00 116 E 8.09 4.44 0.00 2.18 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 2.56 2.41 0.00 117 F 7.58 4.60 0.00 3.23 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 0.00 118 T 7.22 4.38 4.20 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 1.22 0.00 0.00 119 P 0.00 4.03 0.00 2.23 2.33 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 120 A 7.88 3.92 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 0.00 121 V 7.31 3.59 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 1.19 0.00 0.00 0.97 0.00 0.00 122 H 8.48 3.97 0.00 2.02 3.15 0.00 5.65 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 0.00 123 A 8.09 4.01 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 0.00 124 S 7.61 4.28 0.00 3.90 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 0.00 125 L 8.26 3.86 0.00 2.05 1.93 0.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.26 4.54 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 0.00 127 K 7.94 4.02 0.00 2.03 1.84 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 128 F 8.12 4.09 0.00 2.90 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 0.00 129 F 7.77 4.15 0.00 3.19 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 0.00 130 A 7.98 3.99 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 0.00 131 A 7.84 3.84 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 0.00 132 V 7.39 3.41 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 0.93 0.00 0.00 0.25 0.00 0.00 133 S 8.25 3.85 0.00 3.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.70 3.75 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 1.14 0.00 0.00 135 V 7.58 3.63 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 0.96 0.00 0.00 0.88 0.00 0.00 136 L 7.35 4.04 0.00 1.23 1.58 0.95 1.30 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 0.00 137 T 7.28 3.92 4.37 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 0.67 0.00 0.00 138 S 7.54 4.04 0.00 3.97 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 0.00 139 K 7.42 4.02 0.00 1.01 1.26 0.00 2.04 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.03 7.81 140 Y 7.50 4.42 0.00 3.04 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 0.00 141 R 7.64 4.15 0.00 1.89 1.84 0.00 3.17 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00