NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5292 8.1476 120.6030 54.8395 33.6699 175.0015 2 P 4.5417 0.0000 0.0000 61.3689 33.9979 172.8104 3 L 4.6687 8.5582 121.4861 53.8356 43.9070 175.7750 4 E 5.1996 8.7988 126.6635 54.1668 32.2026 174.3917 5 W 5.0489 9.0905 135.0000 55.8936 32.5771 175.2463 6 R 4.2321 7.3096 120.8599 53.4511 32.3568 174.0188 7 A 3.5608 7.7692 121.6334 53.3163 18.5649 178.2467 8 G 3.8561 8.7099 111.1683 44.9042 0.0000 173.6722 9 A 4.1199 6.9508 121.7480 52.1339 19.2867 178.2375 10 S 4.6028 8.3989 116.1503 57.6906 65.2183 176.1124 11 S 4.1707 8.5766 118.8150 61.9219 62.6416 176.3671 12 D 4.3580 8.1242 121.8924 57.3080 40.5964 178.5662 13 E 4.1082 8.1595 118.5185 59.4012 29.6080 179.3018 14 I 3.5670 7.7391 119.5681 64.3526 37.1457 178.2752 15 N 4.2691 8.3552 117.1873 56.0312 38.3137 177.3777 16 A 3.9847 8.0018 122.4363 54.8116 18.3420 179.7511 17 I 3.5966 7.7110 118.4907 64.6631 37.2424 178.4323 18 I 3.9412 7.5188 120.4931 64.5579 36.9150 178.4963 19 R 3.5850 7.9993 118.9834 59.2959 29.9642 178.4606 20 A 4.0406 8.0580 120.5695 55.0519 18.3043 179.6892 21 V 3.5045 8.2507 117.1371 66.4689 31.7196 177.7318 22 Y 3.7726 8.1012 116.3340 61.1827 37.7818 178.9173 23 R 4.2306 8.3554 119.5306 59.3780 30.0030 178.3799 24 Q 3.9875 8.1887 119.6791 59.0268 28.8737 178.2062 25 V 3.2091 7.7650 118.5793 65.2098 31.6472 177.2263 26 L 4.1485 7.7838 116.2689 54.6435 42.2774 176.3846 27 G 3.9828 7.9759 111.3503 45.8723 0.0000 174.0463 28 N 4.6178 7.7920 118.3400 52.8223 37.7056 174.8821 29 D 4.1437 8.6219 114.3975 54.8897 39.4099 175.0643 30 Y 3.6197 7.2949 115.7128 57.5341 39.0267 168.9946 31 V 4.5260 8.8451 117.0417 61.9224 33.8374 175.0596 32 M 4.9683 8.0740 126.4830 55.3557 35.3244 174.9688 33 S 3.8315 9.2266 113.8815 60.1162 60.0550 170.6505 34 T 4.5500 7.6187 112.7585 60.9315 69.9713 172.7817 35 E 4.0042 8.9621 122.8840 59.0181 30.8596 179.4061 36 R 4.0766 8.6415 117.0498 56.8897 29.7979 176.5179 37 L 4.8415 8.5085 115.3419 52.7375 43.9140 178.0883 38 T 3.8668 7.8957 114.4550 65.5968 67.2525 174.8330 39 S 4.1200 8.0452 116.1745 61.5660 63.0901 176.2838 40 A 4.0914 7.9959 122.9256 55.3060 18.2099 179.3154 41 E 4.0067 8.6317 117.2360 59.8053 29.4970 179.8656 42 S 4.1212 7.9674 115.2751 61.3861 62.7447 176.7332 43 L 3.9889 7.9385 121.8650 57.4510 41.3732 179.2597 44 L 3.5560 7.7451 120.3423 58.0499 41.7319 179.2083 45 R 3.8434 7.6964 117.0697 58.9249 30.0867 178.6385 46 G 3.8653 8.1419 103.2816 44.6212 0.0000 174.3927 47 G 4.1530 7.3874 107.9919 46.4783 0.0000 174.9187 48 E 4.1618 8.4992 122.0770 57.6903 29.6958 177.0607 49 I 4.6065 7.3447 109.8425 58.6019 40.6245 175.6361 50 S 4.6142 8.2367 117.0482 57.7343 65.0109 175.6739 51 V 3.6812 8.4377 122.7911 66.2886 31.1704 178.3503 52 R 4.1386 8.2200 117.3696 59.7252 30.0513 178.3954 53 D 4.3463 8.1476 116.8680 56.7965 41.2525 177.9495 54 F 4.1058 8.3129 121.5989 61.3555 39.4816 177.2906 55 V 3.3845 8.0965 118.0480 65.7380 31.2393 177.8850 56 R 3.7095 8.0833 118.3183 59.4341 29.8371 178.4187 57 A 3.9377 7.7387 120.3844 55.0950 18.0677 179.7829 58 V 3.0979 7.1739 115.8443 65.5880 31.5759 177.7663 59 A 3.7766 7.6686 119.2215 53.9171 18.4108 178.7726 60 L 4.5867 7.6932 116.4473 55.1792 42.5052 177.5804 61 S 4.2503 7.2893 115.1343 58.5380 63.3935 175.5348 62 E 4.0054 8.8039 123.0256 59.1469 27.6880 179.4180 63 L 4.0749 7.9664 118.8494 57.5750 41.7539 178.6065 64 Y 4.7542 7.9478 119.2646 60.5412 38.6853 177.5841 65 R 3.8357 7.9407 119.3316 59.6998 30.0174 178.4961 66 E 3.8423 8.5191 118.6746 58.9691 29.1287 179.2132 67 K 3.9547 7.4042 118.3983 58.3304 32.4309 177.9047 68 F 4.7357 7.9052 115.2446 57.5116 40.6581 176.4004 69 F 4.1581 8.1078 120.2220 60.0100 39.7150 176.2441 70 H 4.1018 8.0055 115.9978 57.5787 29.1038 175.4433 71 N 4.5638 7.3788 115.0978 53.7664 39.0195 173.7397 72 N 4.9598 7.3811 113.5024 51.3112 42.4427 173.9641 73 A 4.1296 8.3772 124.4686 52.0719 20.3749 178.2913 74 H 4.3392 8.8858 122.7964 59.4922 29.9677 177.4092 75 N 4.2666 8.2191 117.7040 56.6407 38.4291 177.4015 76 R 4.2130 7.9763 120.0211 58.6002 30.0994 178.7846 77 F 4.3317 8.5428 120.8084 61.3077 39.3870 177.2678 78 I 3.5794 7.8890 119.4429 64.5180 36.7985 178.2925 79 E 3.9268 8.1826 119.2689 59.2356 29.1412 179.5594 80 L 3.9229 7.9997 119.3139 57.7122 41.7455 179.0501 81 N 3.9592 7.8810 116.4741 55.9917 38.1809 177.4880 82 F 3.7058 8.0449 119.3871 60.4188 38.6567 177.9342 83 K 4.2718 7.7874 116.7361 60.0136 32.2202 178.8198 84 H 4.6014 7.9962 118.3987 57.2752 28.8314 176.5990 85 L 4.5096 7.6410 118.8024 55.2259 42.8384 177.3680 86 L 4.5563 8.0516 116.8514 54.4137 42.8842 177.4901 87 G 3.9643 8.9970 106.0132 45.5510 0.0000 172.4834 88 R 4.8464 7.8500 116.6951 53.8857 33.9392 174.1535 89 A 4.7211 8.4583 121.1036 50.0713 20.8653 175.6797 90 P 4.1629 0.0000 0.0000 61.3614 29.7564 176.4741 91 Y 4.1188 7.7266 121.8873 59.7933 38.9115 177.4604 92 D 4.3925 6.6596 122.9060 53.5966 41.9861 177.3420 93 Q 4.0184 8.6478 123.7001 58.6087 28.8995 178.4918 94 A 3.9753 7.8794 121.8123 54.8726 18.2910 179.1605 95 E 3.8917 7.8578 117.5018 59.3725 29.7799 179.0443 96 V 3.5713 7.6851 118.0768 66.0308 31.6530 177.8708 97 A 4.0004 8.2716 120.4010 54.9244 18.2479 179.4704 98 A 3.9406 7.9907 119.2248 55.8807 18.4788 179.6804 99 H 4.1915 8.2239 114.3468 58.5717 28.7585 177.9568 100 A 4.1191 8.4692 122.9396 55.1937 18.2497 179.5742 101 A 4.0840 8.2251 119.3293 55.5356 18.4444 180.0318 102 T 3.8590 7.9275 114.0957 66.8886 68.0231 176.1384 103 Y 4.1601 8.2865 121.5213 61.1799 38.5661 178.0591 104 H 4.4148 8.1565 115.7822 58.7913 29.0483 177.3334 105 S 4.3243 8.1938 113.7556 60.3985 62.4860 174.2594 106 H 4.5901 8.5357 115.4233 54.9797 30.0127 174.5222 107 G 3.8447 8.0898 105.4484 44.4214 0.0000 173.7161 108 Y 3.4663 8.2641 118.4808 60.6996 38.3341 177.9119 109 D 4.3771 8.2086 118.7374 57.5537 41.0244 178.6475 110 A 3.9008 7.8768 120.5798 54.9035 18.1686 178.9367 111 D 4.1258 7.5308 115.8419 57.6531 41.5673 178.1828 112 I 4.0398 7.4420 119.7130 64.7120 37.0652 178.2786 113 N 4.2581 8.3020 117.2173 56.1426 38.0448 177.3789 114 S 3.8589 7.4381 113.9582 61.2726 62.3525 175.5060 115 Y 4.1168 7.1555 119.4193 60.6581 37.4668 178.0079 116 I 2.3150 7.3051 119.2166 63.8092 37.3709 176.5203 117 D 4.6365 7.8399 117.2299 54.1395 41.1227 176.9605 118 S 4.2717 7.3876 115.0605 57.7300 63.6662 175.4308 119 A 4.0363 8.4877 125.3544 54.9292 18.5414 178.9962 120 E 4.0641 8.1854 113.5701 59.5526 30.4267 177.8927 121 Y 4.1813 8.0314 120.2917 60.6429 39.0415 176.0964 122 T 4.3042 7.9689 114.8809 64.6086 67.8896 172.6225 123 E 4.0203 8.6805 124.5542 57.7987 28.0175 177.1795 124 S 4.1549 7.7196 112.6766 60.4099 62.7464 174.9409 125 F 4.7636 7.9185 117.1311 55.9619 40.6019 176.6992 126 G 4.1068 7.1689 108.8050 46.0818 0.0000 172.3745 127 D 4.6886 8.5436 115.5741 55.8510 41.5321 177.5180 128 N 4.9414 8.1898 115.4654 53.5131 41.2906 174.7468 129 V 4.7194 7.5136 118.2325 61.3335 33.0508 175.9220 130 V 4.0105 8.4295 128.3071 61.6111 31.9874 174.2066 131 P 2.9700 0.0000 0.0000 62.2793 31.7209 175.0586 132 Y 4.9669 6.6020 117.3860 54.7011 41.3307 174.6888 133 F 4.1919 8.9772 123.3941 58.0289 40.0357 174.6614 134 R 4.2042 6.9090 126.6794 60.5026 28.7313 175.8230 135 G 3.8338 8.4221 110.9730 45.0051 0.0000 172.2133 136 L 4.7770 7.9557 120.6784 52.9131 44.3051 175.8270 137 E 4.5171 8.4244 120.0074 56.2106 31.9477 174.4698 138 H 4.9316 8.8367 125.4690 56.1907 31.0369 173.4583 139 H 4.8207 8.2356 115.2090 53.7680 29.6555 171.1188 140 H 5.2735 8.0327 116.1030 54.7151 29.4170 175.4254 141 H 4.8988 8.3703 121.3139 53.7293 30.7994 174.6397 142 H 4.2074 8.9952 124.3973 59.4382 30.0254 174.2982 143 H 4.3288 7.7852 123.0393 56.5741 29.9581 172.7059 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 8.15 4.53 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 2 P 0.00 4.54 0.00 2.38 2.26 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 3 L 8.56 4.67 0.00 1.72 1.56 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.80 5.20 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 5 W 9.09 5.05 0.00 3.24 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 6 R 7.31 4.23 0.00 1.70 1.80 0.00 3.35 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 7 A 7.77 3.56 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.71 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 9 A 6.95 4.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.40 4.60 0.00 3.94 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 11 S 8.58 4.17 0.00 4.04 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 12 D 8.12 4.36 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 13 E 8.16 4.11 0.00 2.30 2.13 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 2.53 2.47 0.00 14 I 7.74 3.57 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.47 0.00 0.00 15 N 8.36 4.27 0.00 2.77 2.80 0.00 0.00 6.87 6.59 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 16 A 8.00 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.71 3.60 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.80 0.00 0.00 18 I 7.52 3.94 1.82 0.00 0.00 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 0.99 0.75 0.60 0.00 0.00 19 R 8.00 3.58 0.00 2.00 2.03 0.00 3.38 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 20 A 8.06 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.25 3.50 2.44 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 1.08 0.00 0.00 1.21 0.00 0.00 22 Y 8.10 3.77 0.00 2.64 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 0.00 0.00 0.00 23 R 8.36 4.23 0.00 2.33 2.08 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 24 Q 8.19 3.99 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 25 V 7.77 3.21 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 0.13 0.00 0.00 0.72 0.00 0.00 26 L 7.78 4.15 0.00 1.89 1.99 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.98 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 28 N 7.79 4.62 0.00 2.93 2.89 0.00 0.00 7.14 8.51 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 29 D 8.62 4.14 0.00 2.72 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.29 3.62 0.00 3.40 3.28 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 31 V 8.85 4.53 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 0.96 0.00 0.00 1.08 0.00 0.00 32 M 8.07 4.97 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 33 S 9.23 3.83 0.00 4.06 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 34 T 7.62 4.55 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 1.33 0.00 0.00 35 E 8.96 4.00 0.00 2.11 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 2.40 2.40 0.00 36 R 8.64 4.08 0.00 2.07 1.84 0.00 3.40 0.00 0.00 3.41 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 37 L 8.51 4.84 0.00 1.86 1.64 0.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.90 3.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 39 S 8.05 4.12 0.00 3.93 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 40 A 8.00 4.09 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 41 E 8.63 4.01 0.00 2.08 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 2.67 2.79 0.00 42 S 7.97 4.12 0.00 3.98 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 43 L 7.94 3.99 0.00 1.93 1.72 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.75 3.56 0.00 1.21 1.24 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.70 3.84 0.00 1.93 1.91 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 46 G 8.14 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 47 G 7.39 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 0.00 0.00 0.00 0.00 48 E 8.50 4.16 0.00 2.04 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 2.35 2.40 0.00 49 I 7.34 4.61 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.96 0.00 0.00 50 S 8.24 4.61 0.00 3.97 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 51 V 8.44 3.68 2.32 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 1.28 0.00 0.00 1.11 0.00 0.00 52 R 8.22 4.14 0.00 2.00 2.07 0.00 3.42 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 53 D 8.15 4.35 0.00 2.82 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 54 F 8.31 4.11 0.00 3.11 3.21 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 0.00 55 V 8.10 3.38 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 0.87 0.00 0.00 1.13 0.00 0.00 56 R 8.08 3.71 0.00 1.96 2.05 0.00 3.25 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 57 A 7.74 3.94 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 58 V 7.17 3.10 1.55 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 -0.11 0.00 0.00 0.08 0.00 0.00 59 A 7.67 3.78 1.13 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 0.00 0.00 60 L 7.69 4.59 0.00 1.83 1.84 0.92 0.80 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 61 S 7.29 4.25 0.00 3.97 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 62 E 8.80 4.01 0.00 2.02 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 2.26 2.34 0.00 63 L 7.97 4.07 0.00 1.83 1.83 0.96 0.88 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 64 Y 7.95 4.75 0.00 3.11 3.34 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 65 R 7.94 3.84 0.00 1.68 1.96 0.00 2.21 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 66 E 8.52 3.84 0.00 1.94 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 2.55 2.38 0.00 67 K 7.40 3.95 0.00 1.83 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.54 1.18 7.81 68 F 7.91 4.74 0.00 3.08 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.11 4.16 0.00 1.51 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 70 H 8.01 4.10 0.00 3.30 3.21 0.00 5.74 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 71 N 7.38 4.56 0.00 2.60 2.92 0.00 0.00 6.86 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.38 4.96 0.00 2.67 2.82 0.00 0.00 7.53 8.07 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 73 A 8.38 4.13 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 74 H 8.89 4.34 0.00 3.40 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.22 4.27 0.00 2.86 2.86 0.00 0.00 7.15 7.68 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 76 R 7.98 4.21 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 77 F 8.54 4.33 0.00 3.32 3.27 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 78 I 7.89 3.58 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.36 1.10 0.00 0.00 79 E 8.18 3.93 0.00 2.19 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 2.21 2.50 0.00 80 L 8.00 3.92 0.00 1.82 1.59 1.21 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.88 3.96 0.00 2.19 1.56 0.00 0.00 6.94 6.72 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 82 F 8.04 3.71 0.00 3.15 3.29 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 83 K 7.79 4.27 0.00 2.24 2.37 0.00 1.27 0.00 0.00 1.52 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.24 7.81 84 H 8.00 4.60 0.00 2.99 3.14 0.00 5.61 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 85 L 7.64 4.51 0.00 1.53 1.70 0.69 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.05 4.56 0.00 1.84 1.92 0.77 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 87 G 9.00 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 0.00 0.00 0.00 88 R 7.85 4.85 0.00 1.99 1.98 0.00 3.23 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 89 A 8.46 4.72 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 90 P 0.00 4.16 0.00 1.56 0.49 0.00 3.49 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.02 0.00 91 Y 7.73 4.12 0.00 3.07 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 92 D 6.66 4.39 0.00 2.52 2.42 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 93 Q 8.65 4.02 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 94 A 7.88 3.98 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 95 E 7.86 3.89 0.00 1.98 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 2.25 2.45 0.00 96 V 7.69 3.57 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.89 0.00 0.00 97 A 8.27 4.00 1.37 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 0.00 0.00 98 A 7.99 3.94 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 99 H 8.22 4.19 0.00 3.30 3.68 0.00 5.63 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 0.00 100 A 8.47 4.12 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 0.00 101 A 8.23 4.08 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 0.00 102 T 7.93 3.86 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 1.16 0.00 0.00 103 Y 8.29 4.16 0.00 3.23 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 0.00 104 H 8.16 4.41 0.00 3.29 3.38 0.00 5.70 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 0.00 105 S 8.19 4.32 0.00 3.90 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 0.00 106 H 8.54 4.59 0.00 3.28 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.09 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.26 3.47 0.00 2.60 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.38 0.00 2.80 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 0.00 110 A 7.88 3.90 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 0.00 111 D 7.53 4.13 0.00 2.80 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 0.00 112 I 7.44 4.04 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.84 0.00 0.00 113 N 8.30 4.26 0.00 2.81 2.89 0.00 0.00 6.66 7.36 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 0.00 114 S 7.44 3.86 0.00 3.71 3.53 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 0.00 115 Y 7.16 4.12 0.00 2.88 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 0.00 116 I 7.31 2.31 1.61 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 1.42 0.53 0.64 0.00 0.00 117 D 7.84 4.64 0.00 2.65 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 0.00 118 S 7.39 4.27 0.00 4.06 4.17 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 0.00 119 A 8.49 4.04 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 0.00 120 E 8.19 4.06 0.00 2.08 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 0.00 2.31 2.37 0.00 121 Y 8.03 4.18 0.00 3.14 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 0.00 122 T 7.97 4.30 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 1.26 0.00 0.00 123 E 8.68 4.02 0.00 2.14 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 2.27 2.27 0.00 124 S 7.72 4.15 0.00 3.47 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 0.00 125 F 7.92 4.76 0.00 2.77 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 0.00 126 G 7.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.54 4.69 0.00 2.87 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 0.00 128 N 8.19 4.94 0.00 2.76 3.12 0.00 0.00 7.06 7.73 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 0.00 129 V 7.51 4.72 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 0.94 0.00 0.00 0.98 0.00 0.00 130 V 8.43 4.01 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 0.82 0.00 0.00 1.00 0.00 0.00 131 P 0.00 2.97 0.00 1.61 0.71 0.00 3.67 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 132 Y 6.60 4.97 0.00 3.19 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 0.00 133 F 8.98 4.19 0.00 3.24 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 0.00 134 R 6.91 4.20 0.00 1.36 1.75 0.00 3.32 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 135 G 8.42 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 0.00 136 L 7.96 4.78 0.00 1.87 1.70 0.98 0.77 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 0.00 137 E 8.42 4.52 0.00 1.53 1.64 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 1.92 1.78 0.00 138 H 8.84 4.93 0.00 3.02 3.11 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.24 4.82 0.00 3.19 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.03 5.27 0.00 3.21 3.31 0.00 5.27 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.37 4.90 0.00 3.40 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 9.00 4.21 0.00 3.11 3.38 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.79 4.33 0.00 3.18 3.11 0.00 5.84 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