NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2967 8.3027 118.9431 56.4680 32.0796 173.9469 2 Q 4.5681 8.5297 121.3219 54.4116 28.8835 173.5750 3 L 4.7062 8.5142 127.5788 54.3187 43.8578 175.4222 4 T 4.5384 8.0504 109.1121 59.4087 72.2095 174.8117 5 K 3.5723 8.8940 121.7892 60.4805 31.8736 179.0312 6 C 4.5078 8.0197 115.0380 59.0274 40.5687 175.8758 7 E 3.9229 7.5596 121.4979 59.3378 29.2554 179.2015 8 V 3.4588 7.7382 118.3651 65.7718 31.2547 177.6842 9 F 3.9864 7.8690 119.6516 61.3725 39.3623 177.1629 10 R 4.1922 7.8836 117.6501 59.4057 29.8282 178.7508 11 E 4.1744 8.3400 116.3216 57.9928 29.5363 178.1651 12 L 4.4995 7.4132 118.4858 53.9828 42.0766 177.7625 13 K 3.7193 7.5787 123.2777 59.9511 31.9606 178.1903 14 D 4.5401 7.9646 114.3859 55.7256 40.9292 176.6958 15 L 4.2558 8.0290 119.6175 54.3309 42.3688 175.8323 16 K 3.7622 7.6610 120.5266 58.1436 32.1986 176.1953 17 G 4.1282 9.0568 116.1593 45.7784 0.0000 172.4855 18 Y 3.9985 7.8022 121.3471 59.1889 38.9104 176.8339 19 G 3.6976 8.6409 114.1518 45.8910 0.0000 173.5778 20 G 3.7422 8.5127 106.4680 45.7338 0.0000 173.6810 21 V 4.1172 7.3938 120.2458 60.4349 33.1365 175.8148 22 S 4.7459 8.8029 122.8127 57.5820 65.2243 175.2332 23 L 4.0020 8.3268 122.0601 57.6189 41.2998 177.9503 24 P 4.5006 0.0000 0.0000 65.7729 31.1889 178.4841 25 E 3.8517 7.8856 116.1684 59.1216 29.3298 179.4962 26 W 4.2476 7.8921 118.6148 59.6366 29.1347 178.8011 27 V 3.7350 8.2176 118.5847 66.1604 31.0041 177.2925 28 C 2.4989 7.7285 118.0862 59.2759 37.7650 175.6402 29 T 3.7547 7.9107 117.7888 66.8966 67.9982 176.7940 30 T 3.8609 8.4447 112.1186 64.6334 68.7841 176.0625 31 F 3.2597 8.1616 123.4438 61.0898 39.1338 176.1267 32 H 4.3782 7.7021 111.9283 56.5806 28.7513 176.4150 33 T 4.4625 7.2831 117.6457 64.5652 69.7745 175.4319 34 S 4.5034 7.9071 111.9379 56.8087 64.1477 174.6231 35 G 3.3522 8.1526 108.4116 46.8819 0.0000 174.0677 36 Y 3.8017 7.8486 113.8124 58.2432 35.4360 168.2869 37 D 5.1627 7.7631 121.0647 53.2398 41.7852 177.2452 38 T 4.2347 9.1025 117.6354 63.4243 69.1943 175.6713 39 Q 4.7969 8.6618 121.1654 55.5125 29.5278 175.2998 40 A 4.2704 7.6800 120.8536 52.2478 19.6693 177.8438 41 I 4.8208 8.1725 121.4711 59.7311 41.1268 174.7508 42 V 4.3259 8.3613 127.0934 61.1017 33.6707 174.1456 43 Q 5.1011 8.5833 127.9739 54.8802 32.1654 173.5393 44 N 4.9143 8.4449 118.0168 52.0641 39.9462 174.5909 45 N 4.5170 8.7400 114.2227 56.4567 38.9961 176.3835 46 D 4.5545 7.5797 114.6316 56.1021 41.6114 176.3522 47 S 5.0607 7.4690 110.3173 56.2957 66.5722 172.1728 48 T 5.0348 9.0780 115.9379 61.8708 72.6197 173.0948 49 E 5.3503 9.2351 125.1582 54.8612 32.7019 174.5927 50 Y 5.0216 9.3187 121.4260 57.3658 41.7411 177.7867 51 G 4.6380 8.8487 111.3893 43.8026 0.0000 173.2392 52 L 3.8595 8.6464 118.5687 57.1426 41.7300 178.7348 53 F 4.7155 8.1417 113.1506 56.7264 39.9552 175.1860 54 Q 3.6025 8.1060 119.4710 57.0655 26.7009 174.2371 55 I 4.2997 7.9027 118.8449 61.1934 39.0250 177.4184 56 N 5.4911 9.3192 124.7054 52.1115 39.3699 174.6892 57 N 5.1315 8.7466 117.2766 52.5684 37.5956 175.7545 58 K 4.4805 8.9686 123.0891 58.1778 33.1970 177.4570 59 I 4.1834 7.7746 116.5137 61.0961 40.0397 177.0064 60 W 4.5921 7.8364 118.3761 57.8027 29.6788 173.5190 61 C 5.7043 7.9530 110.8572 53.4894 44.8593 172.9344 62 K 4.7312 8.6919 121.7343 55.5997 33.7030 175.2823 63 D 4.6813 8.1254 124.5095 52.8140 41.8721 174.3838 64 D 4.4679 8.8820 117.3851 57.8291 40.8868 177.7176 65 Q 4.1441 8.4389 119.7710 58.6804 29.3105 174.7164 66 N 5.1835 8.2774 115.6418 50.4094 39.0580 172.1839 67 P 4.3378 0.0000 0.0000 65.1054 31.8669 176.8719 68 H 4.7746 7.9186 113.1322 55.4286 29.1676 175.2613 69 S 4.2651 7.4325 113.8661 58.3126 62.6907 174.5404 70 S 4.0569 8.5853 121.0215 59.8685 62.9536 173.9769 71 N 4.1818 7.9676 117.6524 53.8240 37.6981 174.5312 72 I 3.8364 7.7289 119.2946 64.7645 38.1610 177.2872 73 C 4.5632 8.4186 119.5624 56.2606 40.6688 174.8161 74 N 4.8650 8.7710 124.6281 52.1320 36.8310 173.2483 75 I 4.3791 8.7271 122.3860 59.3921 42.9219 172.8748 76 S 4.7513 8.2561 120.3178 57.4714 63.2672 175.6920 77 C 3.7122 8.7009 125.4886 60.0674 35.5224 176.0670 78 D 4.1523 7.7891 119.9486 57.2974 40.1491 178.3769 79 K 4.1592 7.5423 116.7493 57.8260 32.1230 178.0051 80 F 5.6385 7.7521 119.3734 56.6688 38.9868 176.3828 81 L 5.0112 7.8069 117.7225 54.4640 42.3690 175.8773 82 D 4.9382 7.7996 119.0529 52.1681 41.7433 175.5044 83 D 4.5342 8.5353 117.3466 54.8066 41.2380 175.9971 84 D 4.6501 8.0010 120.0819 53.0475 40.7879 176.3605 85 L 4.7185 8.5888 127.9322 54.6957 41.9729 178.6385 86 T 3.8241 8.0685 112.0189 64.9990 68.6158 176.0486 87 D 4.4297 8.0736 121.5879 55.8496 39.2104 177.9927 88 D 4.3240 8.2564 119.8843 57.4412 40.8727 178.7211 89 I 3.1721 7.8897 120.3250 64.3157 36.6281 178.3828 90 M 3.8765 7.6471 119.0964 58.5914 31.7952 178.0600 91 C 4.2743 8.1923 118.5385 59.3339 44.9284 175.7657 92 V 3.2481 7.4110 120.1861 65.7757 30.9848 178.0597 93 K 3.8115 7.8014 118.2212 59.3832 31.7516 179.4953 94 K 4.0336 7.6459 118.2512 59.5561 32.0297 179.4385 95 I 2.8892 7.3152 120.0305 63.9673 36.8973 178.5582 96 L 4.1406 8.1266 119.8319 58.0346 41.3154 179.2625 97 D 4.4700 8.0672 117.6372 57.0738 40.7887 178.7826 98 K 4.2655 8.1730 118.0191 58.8037 32.6195 178.1940 99 V 4.1686 8.5509 115.4327 61.8700 33.1982 176.2868 100 G 4.0715 7.9749 105.0712 45.0646 0.0000 174.0974 101 I 3.9404 8.2212 117.6158 63.9893 37.8412 176.8641 102 N 4.6720 8.1519 114.8959 54.4743 38.3900 175.1788 103 Y 3.8972 7.8633 120.0340 59.4558 39.0638 175.6584 104 W 4.4793 8.1628 120.6839 54.7705 27.9228 176.5083 105 L 4.0106 8.2705 124.5271 57.5055 40.9852 178.9906 106 A 4.0953 8.0891 120.3415 54.8422 18.3312 178.8572 107 H 3.9101 8.4098 117.2486 59.4321 29.7386 177.4351 108 K 4.1685 8.2159 120.4371 59.0371 32.2780 178.2478 109 A 4.1938 7.5468 118.6613 54.1556 18.4285 177.8769 110 L 4.7936 8.1495 113.4072 54.4326 43.8454 175.8857 111 C 5.0728 8.1233 116.3536 56.8148 35.9616 175.3925 112 S 4.2751 8.2934 117.2112 59.5369 63.0144 174.5553 113 E 4.5294 7.2585 114.0919 57.5043 32.4994 176.6842 114 K 4.3475 7.7062 123.2413 55.9662 30.2813 176.9668 115 L 4.8519 7.7313 118.9501 54.8248 42.6065 178.6796 116 D 4.5216 7.9785 118.6997 55.7815 39.5282 177.3639 117 Q 3.8251 7.8617 117.4557 57.1016 28.8018 176.3886 118 W 4.8500 7.7986 117.1144 56.1121 29.8229 174.8890 119 L 4.7310 7.8596 119.9795 54.3680 42.5977 176.8248 120 C 4.7095 7.1946 122.0191 55.7800 41.2638 174.0140 121 E 4.7670 8.5637 117.0966 57.3403 31.0044 177.0478 122 K 4.1662 8.9648 124.7297 54.8900 31.6384 170.7470 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 E 8.30 4.30 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 2 Q 8.53 4.57 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 3 L 8.51 4.71 0.00 1.47 1.47 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.05 4.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 5 K 8.89 3.57 0.00 1.97 1.89 0.00 1.91 0.00 0.00 2.01 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.79 7.81 6 C 8.02 4.51 0.00 2.95 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.56 3.92 0.00 2.26 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 2.30 2.28 0.00 8 V 7.74 3.46 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 0.92 0.00 0.00 0.59 0.00 0.00 9 F 7.87 3.99 0.00 3.27 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 10 R 7.88 4.19 0.00 2.03 2.00 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 11 E 8.34 4.17 0.00 1.88 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 0.00 2.33 2.49 0.00 12 L 7.41 4.50 0.00 1.58 1.46 0.78 0.74 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 13 K 7.58 3.72 0.00 1.95 1.81 0.00 1.49 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 D 7.96 4.54 0.00 2.60 2.61 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 0.00 0.00 0.00 0.00 15 L 8.03 4.26 0.00 1.64 1.62 -0.27 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.66 3.76 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.43 7.81 17 G 9.06 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 0.00 0.00 0.00 18 Y 7.80 4.00 0.00 3.13 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 19 G 8.64 3.70 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 0.00 0.00 0.00 20 G 8.51 3.74 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 0.00 0.00 0.00 21 V 7.39 4.12 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 0.07 0.00 0.00 0.69 0.00 0.00 22 S 8.80 4.75 0.00 4.13 3.99 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 23 L 8.33 4.00 0.00 1.45 1.08 0.23 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.50 0.00 2.28 2.35 0.00 3.60 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 2.26 2.47 0.00 25 E 7.89 3.85 0.00 2.11 1.73 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 2.40 2.31 0.00 26 W 7.89 4.25 0.00 3.44 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.22 3.73 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 1.38 0.00 0.00 1.20 0.00 0.00 28 C 7.73 2.50 0.00 1.23 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 29 T 7.91 3.75 4.34 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 1.20 0.00 0.00 30 T 8.44 3.86 4.18 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 0.87 0.00 0.00 31 F 8.16 3.26 0.00 2.67 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 32 H 7.70 4.38 0.00 3.13 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.28 4.46 4.32 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 1.46 0.00 0.00 34 S 7.91 4.50 0.00 4.05 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 35 G 8.15 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.85 3.80 0.00 3.31 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 37 D 7.76 5.16 0.00 2.74 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 38 T 9.10 4.23 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 1.26 0.00 0.00 39 Q 8.66 4.80 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 40 A 7.68 4.27 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 41 I 8.17 4.82 1.81 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 1.14 0.88 0.68 0.00 0.00 42 V 8.36 4.33 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 0.87 0.00 0.00 0.90 0.00 0.00 43 Q 8.58 5.10 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 44 N 8.44 4.91 0.00 2.92 2.88 0.00 0.00 7.35 6.86 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 45 N 8.74 4.52 0.00 2.74 2.93 0.00 0.00 6.78 8.06 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 46 D 7.58 4.55 0.00 2.69 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 47 S 7.47 5.06 0.00 4.11 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 48 T 9.08 5.03 4.34 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 0.60 0.00 0.00 49 E 9.24 5.35 0.00 1.86 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 2.32 2.27 0.00 50 Y 9.32 5.02 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.85 4.64 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 52 L 8.65 3.86 0.00 1.44 1.29 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.14 4.72 0.00 3.06 3.36 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 54 Q 8.11 3.60 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 55 I 7.90 4.30 1.81 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.97 0.00 0.00 56 N 9.32 5.49 0.00 3.06 3.17 0.00 0.00 6.38 6.98 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 57 N 8.75 5.13 0.00 3.06 3.25 0.00 0.00 6.81 7.29 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 58 K 8.97 4.48 0.00 1.76 2.11 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.40 7.81 59 I 7.77 4.18 1.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 -0.40 0.00 0.00 60 W 7.84 4.59 0.00 3.55 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 61 C 7.95 5.70 0.00 3.05 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 62 K 8.69 4.73 0.00 1.84 1.64 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.49 7.81 63 D 8.13 4.68 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.88 4.47 0.00 2.71 2.79 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 0.00 0.00 0.00 0.00 65 Q 8.44 4.14 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 66 N 8.28 5.18 0.00 2.81 2.77 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.34 0.00 2.10 2.08 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 68 H 7.92 4.77 0.00 3.10 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.43 4.27 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.59 4.06 0.00 3.87 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.97 4.18 0.00 2.84 2.78 0.00 0.00 7.19 7.28 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 72 I 7.73 3.84 1.74 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 1.06 0.00 0.00 73 C 8.42 4.56 0.00 3.39 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.77 4.86 0.00 2.74 2.75 0.00 0.00 6.95 7.94 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 75 I 8.73 4.38 1.81 0.00 0.00 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 0.81 0.81 0.73 0.00 0.00 76 S 8.26 4.75 0.00 3.77 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.70 3.71 0.00 2.24 1.65 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 78 D 7.79 4.15 0.00 2.58 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 79 K 7.54 4.16 0.00 1.36 1.96 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.46 7.81 80 F 7.75 5.64 0.00 3.30 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 81 L 7.81 5.01 0.00 1.87 1.77 1.18 1.23 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 82 D 7.80 4.94 0.00 2.77 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 83 D 8.54 4.53 0.00 2.70 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 84 D 8.00 4.65 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.59 4.72 0.00 1.74 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.07 3.82 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 1.26 0.00 0.00 87 D 8.07 4.43 0.00 3.04 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 88 D 8.26 4.32 0.00 3.04 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 89 I 7.89 3.17 1.93 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 1.21 0.60 0.64 0.00 0.00 90 M 7.65 3.88 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.48 0.00 91 C 8.19 4.27 0.00 3.18 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 92 V 7.41 3.25 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 0.31 0.00 0.00 -0.50 0.00 0.00 93 K 7.80 3.81 0.00 1.73 1.43 0.00 1.35 0.00 0.00 1.11 0.00 0.00 2.16 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 1.10 7.81 94 K 7.65 4.03 0.00 1.99 1.99 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.63 7.81 95 I 7.32 2.89 1.55 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.20 0.00 0.00 96 L 8.13 4.14 0.00 2.15 1.91 1.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.07 4.47 0.00 2.91 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 98 K 8.17 4.27 0.00 2.12 2.07 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.90 1.90 7.81 99 V 8.55 4.17 2.22 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 0.91 0.00 0.00 1.19 0.00 0.00 100 G 7.97 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.22 3.94 1.73 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.89 0.83 0.00 0.00 102 N 8.15 4.67 0.00 2.80 2.88 0.00 0.00 6.86 7.46 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 0.00 103 Y 7.86 3.90 0.00 2.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.16 4.48 0.00 3.74 3.11 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 0.00 105 L 8.27 4.01 0.00 1.65 1.71 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.09 4.10 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 0.00 107 H 8.41 3.91 0.00 3.14 3.44 0.00 5.59 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 0.00 108 K 8.22 4.17 0.00 1.83 1.83 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.37 7.81 109 A 7.55 4.19 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 0.00 110 L 8.15 4.79 0.00 1.60 1.56 0.74 0.98 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 0.00 111 C 8.12 5.07 0.00 2.80 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 0.00 112 S 8.29 4.28 0.00 3.85 3.85 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 0.00 113 E 7.26 4.53 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 114 K 7.71 4.35 0.00 1.78 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.64 7.81 115 L 7.73 4.85 0.00 1.86 1.86 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.98 4.52 0.00 2.76 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 0.00 117 Q 7.86 3.83 0.00 0.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.41 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 118 W 7.80 4.85 0.00 3.38 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 0.00 119 L 7.86 4.73 0.00 1.65 1.53 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.19 4.71 0.00 1.23 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 0.00 0.00 0.00 0.00 121 E 8.56 4.77 0.00 2.02 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 0.00 1.91 2.13 0.00 122 K 8.96 4.17 0.00 1.87 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 0.98 7.81