NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0617 8.0431 114.0534 62.4822 33.6697 175.1208 3 G 4.0371 8.3076 111.9477 45.8420 0.0000 170.3722 4 V 4.2259 8.5001 128.3909 61.5667 33.1535 172.7701 5 K 4.4161 9.0099 130.8546 55.0018 33.3742 173.9350 6 P 4.9103 0.0000 0.0000 62.2777 32.4806 175.8880 7 V 4.1993 8.2865 124.6089 61.2279 31.8769 176.0735 8 G 3.7465 8.9819 117.7383 47.1360 0.0000 172.2269 9 S 4.8176 7.4045 112.0040 56.9876 65.2792 176.7191 10 D 4.4413 8.5943 121.4738 57.2084 40.3149 177.3081 11 P 4.4957 0.0000 0.0000 64.8433 31.8737 177.1468 12 D 4.5827 8.0192 117.9916 55.4543 40.9166 178.1379 13 F 4.0942 8.2078 122.4491 61.3754 39.4259 177.0900 14 Q 3.6630 8.0286 117.1876 58.2189 28.4880 176.4422 15 P 4.1776 0.0000 0.0000 65.8101 31.4799 178.1093 16 E 3.8501 7.7742 116.4363 59.6597 29.1853 179.6450 17 L 3.7610 7.1688 117.3783 57.5390 41.8095 179.3495 18 S 4.2743 8.5858 113.7760 61.1613 62.2408 176.0670 19 G 3.7426 8.5938 106.4528 46.3337 0.0000 174.5354 20 A 4.2133 7.7606 121.5306 51.7574 18.8509 178.5340 21 G 3.6967 8.2923 106.0913 47.1263 0.0000 175.3636 22 S 4.6066 8.6654 119.1281 57.6580 63.4518 174.5530 23 R 4.1060 7.5732 120.5254 55.9850 30.5500 176.0937 24 L 4.3884 8.4386 122.4571 55.2607 43.6608 175.3082 25 A 5.0455 9.4216 127.7316 50.1074 21.9061 174.8951 26 V 4.2238 8.4494 123.6141 61.1112 33.7106 174.5339 27 V 4.6959 8.7651 129.1913 61.1045 33.6504 174.2475 28 K 3.9803 9.0934 130.8776 55.0710 33.4246 175.2312 29 F 4.5495 9.2684 128.4569 56.9403 40.3657 175.1457 30 T 4.9358 8.9761 118.2470 61.0066 71.5579 171.6438 31 M 5.2373 8.0220 118.3435 54.8745 33.6939 174.8046 32 R 4.0672 8.7541 119.2083 56.4102 31.2742 176.3446 33 G 3.9450 8.5294 105.5793 46.8598 0.0000 175.7699 34 C 4.8986 7.7415 116.5715 53.8415 46.8076 172.6777 35 G 3.6611 8.7864 115.6133 47.5550 0.0000 172.2840 36 P 4.2834 0.0000 0.0000 65.5447 31.0036 178.9461 37 C 4.2787 8.2291 115.5979 59.8922 39.9187 175.7345 38 L 3.9280 7.7602 120.8094 58.1356 41.7415 178.8861 39 R 4.0963 8.0744 117.6567 59.0863 30.3452 178.3414 40 I 4.0733 8.0613 117.6555 62.7162 38.0973 177.3239 41 A 4.1881 7.8045 122.4558 55.1473 18.0866 177.8050 42 P 4.2312 0.0000 0.0000 65.6556 31.4035 178.6648 43 A 4.0111 8.0756 119.1256 55.1774 18.4372 179.2389 44 F 4.3153 8.4904 119.1639 61.6403 39.3768 177.3194 45 S 3.9256 8.3293 112.7712 61.4261 62.0738 176.3549 46 S 4.0477 8.1921 118.0566 61.5885 62.5165 176.4973 47 M 3.9939 8.1576 122.2307 58.3041 31.5474 178.9366 48 S 2.7900 6.9672 113.8278 60.7347 62.7559 176.3377 49 N 4.1364 7.1894 119.3618 55.7746 38.3208 176.8688 50 K 3.8812 7.6793 119.8981 57.5139 33.8449 176.4306 51 Y 5.0962 7.5442 115.8098 54.5843 37.9211 174.2930 52 P 4.5004 0.0000 0.0000 64.0569 31.6071 177.9490 53 Q 4.2210 8.2128 116.8587 57.0481 29.3229 174.6892 54 A 4.8781 8.0194 120.0519 50.3831 22.3099 175.7817 55 V 4.5797 8.6537 112.5148 59.7419 34.4308 175.2364 56 F 5.2615 9.0459 123.0977 55.8044 41.6106 174.5467 57 L 5.5168 9.2827 122.9242 52.9414 46.4142 175.0627 58 E 5.0169 9.1195 120.5997 54.6027 33.3206 174.2112 59 V 4.5458 8.4248 126.5005 60.9609 34.7894 173.5014 60 D 5.0999 8.5170 127.6832 53.3282 42.2471 177.4955 61 V 3.8906 8.9766 119.7351 63.7092 31.8137 177.4550 62 H 4.7554 8.7104 116.2899 56.7977 29.6384 176.3328 63 Q 4.2301 8.1715 117.7755 57.5847 29.8679 175.2441 64 C 5.1629 7.8638 114.6523 57.8544 28.7434 174.5819 65 Q 4.3019 7.5854 124.3799 58.5063 28.8824 179.1641 66 G 3.5901 8.5866 106.7700 48.0832 0.0000 175.9024 67 T 3.7172 8.3725 117.9429 66.0924 68.3090 176.6159 68 A 3.8122 8.0670 122.4052 55.0390 18.3936 179.3895 69 A 3.8890 8.1144 119.6226 55.5718 18.3732 179.6095 70 T 4.1193 7.8782 104.9794 63.2215 68.9613 174.5982 71 N 4.7155 7.2251 117.2832 52.1356 39.5164 173.9513 72 N 4.0214 7.8434 115.8549 54.4709 37.7674 174.9603 73 I 3.8177 7.7645 118.6400 60.9818 37.6530 176.6662 74 S 4.5134 8.4838 119.2421 58.3495 64.5200 173.2961 75 A 4.6477 7.4062 121.9742 51.1396 22.0060 174.6936 76 T 4.8987 7.9347 108.6675 59.3611 71.9331 172.0679 77 P 4.7438 0.0000 0.0000 62.8347 33.4200 174.8081 78 T 4.9876 8.3586 118.0504 61.8410 72.2585 172.6934 79 F 5.1519 9.8889 125.4469 55.9579 41.2982 174.8319 80 Q 5.2423 9.2988 122.9531 54.3039 31.9119 174.4976 81 F 5.1993 9.0510 120.6125 55.8214 41.9589 174.6167 82 F 5.9440 9.5976 121.6243 55.1450 43.2931 174.6850 83 R 4.7595 8.4895 118.9178 55.6825 34.4914 175.1209 84 N 4.0926 9.8244 121.5869 54.4482 36.1963 175.1671 85 K 3.9575 8.4994 113.5035 56.6663 29.9598 175.9351 86 V 4.4758 7.7385 119.6047 60.7930 33.1702 174.7731 87 R 3.8742 8.6319 127.5958 55.9116 30.3636 175.6090 88 I 4.4964 8.5226 117.7961 60.9027 39.5920 174.2660 89 D 4.7478 7.7554 121.3559 53.8515 44.7516 173.2339 90 Q 5.4211 8.3909 117.5017 55.5724 31.6526 173.4456 91 Y 4.8195 9.3742 121.6312 56.9676 42.6418 173.3424 92 Q 4.8877 8.3211 125.5895 55.4398 31.1251 175.1249 93 G 3.8342 9.0995 108.5539 45.2941 0.0000 173.2786 94 A 4.6602 8.3329 118.4973 51.9231 19.3573 177.0849 95 D 4.6524 8.1254 118.5593 54.5417 41.7073 176.6488 96 A 4.0644 8.5813 130.4590 54.8044 18.5220 179.1620 97 V 3.6071 7.9591 116.7238 66.2376 31.8229 178.1448 98 G 4.1060 8.4445 106.7816 47.0695 0.0000 175.1842 99 L 2.8932 7.3681 121.9656 57.7083 42.0340 178.8383 100 E 4.0307 8.1278 119.0541 59.1428 29.5223 178.5910 101 E 3.9413 8.1687 118.9245 59.3500 29.1926 179.4110 102 K 4.1003 7.9012 118.2808 59.0154 32.0129 179.6557 103 I 3.9110 7.6719 120.5446 64.2732 36.8071 178.4757 104 K 3.8166 8.0402 118.8668 59.3898 31.9694 179.1897 105 Q 4.0256 7.8558 116.6533 59.0718 28.5676 177.6443 106 H 4.4601 7.6659 117.5509 57.6483 28.9821 176.9323 107 L 4.0973 8.3160 119.4663 57.1605 41.4339 176.9044 108 E 4.0780 7.4868 120.8931 55.5550 30.5599 176.2087 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 V 8.04 4.06 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 0.86 0.00 0.00 0.90 0.00 0.00 3 G 8.31 4.04 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 0.00 0.00 0.00 4 V 8.50 4.23 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 1.09 0.00 0.00 0.87 0.00 0.00 5 K 9.01 4.42 0.00 1.88 1.70 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.57 7.81 6 P 0.00 4.91 0.00 1.99 1.97 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 7 V 8.29 4.20 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 0.91 0.00 0.00 1.05 0.00 0.00 8 G 8.98 3.75 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 0.00 0.00 0.00 9 S 7.40 4.82 0.00 3.96 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 D 8.59 4.44 0.00 2.72 2.80 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 0.00 0.00 0.00 0.00 11 P 0.00 4.50 0.00 2.24 2.20 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 12 D 8.02 4.58 0.00 2.91 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 13 F 8.21 4.09 0.00 3.11 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 14 Q 8.03 3.66 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 15 P 0.00 4.18 0.00 2.26 2.08 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 16 E 7.77 3.85 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 17 L 7.17 3.76 0.00 1.25 1.42 -0.16 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.59 4.27 0.00 3.88 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 19 G 8.59 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 20 A 7.76 4.21 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 21 G 8.29 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 22 S 8.67 4.61 0.00 3.99 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 23 R 7.57 4.11 0.00 2.05 2.01 0.00 3.29 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 24 L 8.44 4.39 0.00 1.80 1.53 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.42 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.45 4.22 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 0.63 0.00 0.00 0.42 0.00 0.00 27 V 8.77 4.70 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 0.58 0.00 0.00 1.15 0.00 0.00 28 K 9.09 3.98 0.00 0.87 1.44 0.00 1.55 0.00 0.00 1.33 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.94 0.31 7.81 29 F 9.27 4.55 0.00 2.96 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 30 T 8.98 4.94 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 31 M 8.02 5.24 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 32 R 8.75 4.07 0.00 1.84 1.93 0.00 3.53 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 33 G 8.53 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 34 C 7.74 4.90 0.00 2.95 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 35 G 8.79 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 36 P 0.00 4.28 0.00 2.32 2.38 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 37 C 8.23 4.28 0.00 3.18 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 38 L 7.76 3.93 0.00 1.66 1.86 0.95 0.86 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 39 R 8.07 4.10 0.00 2.04 2.04 0.00 3.25 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 40 I 8.06 4.07 2.05 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 1.70 1.46 1.22 0.00 0.00 41 A 7.80 4.19 1.46 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 42 P 0.00 4.23 0.00 2.21 2.14 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 43 A 8.08 4.01 1.43 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 0.00 0.00 44 F 8.49 4.32 0.00 3.31 3.42 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 45 S 8.33 3.93 0.00 4.05 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 46 S 8.19 4.05 0.00 4.02 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 47 M 8.16 3.99 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.69 0.00 48 S 6.97 2.79 0.00 3.15 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 49 N 7.19 4.14 0.00 2.68 2.78 0.00 0.00 7.00 8.24 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 50 K 7.68 3.88 0.00 1.52 1.29 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.45 1.09 7.81 51 Y 7.54 5.10 0.00 3.31 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 52 P 0.00 4.50 0.00 2.18 2.15 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 53 Q 8.21 4.22 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 54 A 8.02 4.88 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 55 V 8.65 4.58 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 0.78 0.00 0.00 0.90 0.00 0.00 56 F 9.05 5.26 0.00 2.83 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 57 L 9.28 5.52 0.00 1.58 1.55 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.12 5.02 0.00 2.10 1.76 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 2.14 2.18 0.00 59 V 8.42 4.55 1.00 0.00 0.00 0.00 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 0.57 0.00 0.00 60 D 8.52 5.10 0.00 2.74 2.50 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 61 V 8.98 3.89 2.02 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 0.90 0.00 0.00 0.73 0.00 0.00 62 H 8.71 4.76 0.00 3.22 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.17 4.23 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.04 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 64 C 7.86 5.16 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.59 4.30 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 66 G 8.59 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.37 3.72 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 0.14 0.00 0.00 68 A 8.07 3.81 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 69 A 8.11 3.89 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 70 T 7.88 4.12 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 1.24 0.00 0.00 71 N 7.23 4.72 0.00 2.56 2.57 0.00 0.00 7.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.84 4.02 0.00 2.71 2.73 0.00 0.00 7.13 8.13 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 73 I 7.76 3.82 1.63 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.14 0.77 0.00 0.00 74 S 8.48 4.51 0.00 3.90 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 75 A 7.41 4.65 1.18 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 0.00 0.00 76 T 7.93 4.90 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 1.15 0.00 0.00 77 P 0.00 4.74 0.00 1.81 2.10 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.10 0.00 78 T 8.36 4.99 4.16 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 1.17 0.00 0.00 79 F 9.89 5.15 0.00 3.27 2.84 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 80 Q 9.30 5.24 0.00 2.40 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.90 0.00 81 F 9.05 5.20 0.00 2.88 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 82 F 9.60 5.94 0.00 2.89 2.91 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 83 R 8.49 4.76 0.00 1.76 1.82 0.00 3.31 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 84 N 9.82 4.09 0.00 2.89 2.91 0.00 0.00 7.23 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 85 K 8.50 3.96 0.00 1.95 1.97 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.38 7.81 86 V 7.74 4.48 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 0.99 0.00 0.00 1.04 0.00 0.00 87 R 8.63 3.87 0.00 1.51 1.69 0.00 3.12 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.00 88 I 8.52 4.50 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 0.95 0.00 0.00 89 D 7.76 4.75 0.00 2.47 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 0.00 0.00 0.00 90 Q 8.39 5.42 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.41 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 91 Y 9.37 4.82 0.00 3.27 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 92 Q 8.32 4.89 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.57 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 93 G 9.10 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 94 A 8.33 4.66 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 95 D 8.13 4.65 0.00 2.90 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 96 A 8.58 4.06 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 97 V 7.96 3.61 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 1.09 0.00 0.00 0.96 0.00 0.00 98 G 8.44 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 99 L 7.37 2.89 0.00 1.17 1.56 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.13 4.03 0.00 2.17 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 2.41 2.56 0.00 101 E 8.17 3.94 0.00 2.32 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 2.41 2.39 0.00 102 K 7.90 4.10 0.00 1.70 1.45 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.51 1.53 7.81 103 I 7.67 3.91 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.99 0.67 0.00 0.00 104 K 8.04 3.82 0.00 1.85 1.84 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.52 1.65 7.81 105 Q 7.86 4.03 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 106 H 7.67 4.46 0.00 3.36 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.32 4.10 0.00 1.64 1.69 0.40 0.80 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 0.00 108 E 7.49 4.08 0.00 2.15 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 0.00 2.46 2.28 0.00