NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4078 8.3049 120.3479 54.9165 33.4150 175.1032 2 D 4.2783 8.5772 125.8372 53.5982 41.3985 174.9546 3 I 3.7460 8.4585 125.4782 60.9209 38.5418 175.5777 4 K 4.0571 8.5528 126.8993 56.3696 32.5983 176.1594 5 E 4.2814 8.5991 125.9046 55.6889 30.3004 176.5602 6 L 4.4534 8.4450 122.2813 55.6967 42.7844 176.1818 7 H 4.5219 9.3669 122.9329 55.7778 31.0850 174.0848 8 V 4.5489 8.5343 126.4250 61.7753 32.5826 175.0108 9 K 4.4884 9.1264 128.8363 54.9858 34.3923 175.5459 10 T 4.7376 8.4336 122.8075 62.5866 69.0007 174.8616 11 V 4.5121 8.3759 119.7162 59.3629 35.9148 175.2212 12 K 4.5800 8.7082 121.3546 54.3070 34.0020 176.4748 13 R 4.4701 8.5792 121.6275 58.3018 30.2872 176.8719 14 G 3.9911 9.1980 114.6372 45.0347 0.0000 173.3678 15 E 4.1644 7.9586 120.6851 56.3918 30.9482 175.1091 16 N 5.4790 8.5290 121.0809 51.5328 40.8784 174.6697 17 V 4.4953 8.5596 121.3754 60.1842 35.3129 174.4937 18 T 4.8331 8.2532 117.7805 62.1355 71.8587 172.9287 19 M 4.5720 8.9061 126.3360 53.5383 34.3568 175.0038 20 E 5.1021 8.9653 123.3389 55.9899 31.2614 176.4243 21 C 5.0261 9.6700 122.8330 55.3136 47.6964 172.3702 22 S 5.1090 8.7031 120.7011 57.6845 62.1532 173.7519 23 M 4.1734 9.2125 128.1887 58.6532 31.9127 178.8803 24 S 4.7260 7.3394 110.3957 60.6033 62.9046 175.1231 25 K 4.3535 7.8047 118.0644 56.0287 32.6202 176.1670 26 V 4.0556 8.8628 120.0186 62.0063 32.3932 175.5407 27 K 4.0062 8.6079 128.3854 58.0021 32.7294 176.2231 28 D 4.6042 8.4397 121.1035 51.8516 42.6279 175.8802 29 K 3.5992 8.3218 127.4615 59.1959 32.1873 179.4290 30 D 4.5369 7.9507 117.8896 56.8961 40.9633 177.2477 31 K 4.3336 8.0900 117.2352 56.0508 32.4135 175.0654 32 L 5.0174 7.5470 122.4431 53.6936 43.7419 175.1718 33 A 5.3718 8.8607 125.7324 51.0997 23.3141 174.9185 34 W 5.4952 9.6015 119.9426 55.8503 31.5840 175.2334 35 Y 5.1513 9.8349 120.9175 56.2475 41.1763 174.4518 36 R 4.0899 9.1833 124.1023 54.2183 32.8556 174.2090 37 Q 4.6487 8.2139 127.7045 54.0489 31.3114 174.7800 38 S 4.4810 8.2978 122.8788 57.7785 64.4770 173.9724 39 F 4.1665 8.7804 124.9014 59.8926 39.4370 175.5804 40 G 3.6585 8.0192 114.8076 45.5299 0.0000 172.8740 41 K 4.5972 7.4028 117.9441 53.7022 34.9544 176.2642 42 V 3.7564 8.0378 120.4663 62.1791 32.0887 174.2506 43 P 4.7186 0.0000 0.0000 62.9950 32.3237 175.6158 44 Q 4.8323 9.0813 121.0797 53.8188 32.7017 174.2757 45 Y 3.8627 9.1537 123.7084 59.0145 38.7910 174.6208 46 F 4.7819 8.8253 127.5941 59.2116 42.1042 175.2272 47 V 4.5799 7.1730 116.1931 60.2760 34.1733 172.6064 48 R 5.4916 9.0352 119.7554 54.1718 32.9479 174.2882 49 Y 5.0308 8.8084 121.7496 58.6598 39.6485 174.8817 50 Y 4.4567 7.7436 125.1518 55.6994 42.7941 174.8735 51 S 4.5053 7.5505 121.0625 56.8538 60.6838 172.4096 52 S 4.7191 7.2982 117.2967 56.1092 66.4597 174.8552 53 N 4.5154 8.8231 118.1162 56.4574 38.4400 177.1342 54 S 4.1750 8.0150 111.8398 59.8217 63.4673 175.3261 55 G 4.2576 10.0528 108.5254 44.5273 0.0000 171.5866 56 Y 5.5186 6.8295 115.3817 55.8360 41.3250 174.1708 57 K 4.4656 9.2501 121.4342 54.8942 35.4782 175.7040 58 F 4.4521 9.1838 125.8858 56.8233 40.0795 175.1496 59 A 4.1812 8.5475 123.4457 51.9617 19.4197 177.0774 60 E 4.1715 8.8237 121.4404 57.8310 30.2305 176.7322 61 G 3.9982 9.1144 113.9033 45.1735 0.0000 172.9731 62 F 4.4323 7.8531 122.1755 56.9636 39.4416 175.5686 63 K 4.2124 7.2072 130.0996 56.0584 32.8457 176.4289 64 D 4.3230 6.2309 120.7056 54.0485 40.6050 176.3402 65 S 4.3083 8.3423 121.3583 59.7983 63.4505 175.4848 66 R 4.0509 8.2887 120.9164 58.5469 30.8890 176.2738 67 F 5.0859 8.1890 118.5216 56.6010 40.2825 175.4831 68 S 4.8225 8.9089 116.8395 57.8710 66.7569 172.3518 69 M 4.9320 7.6474 117.4322 53.8980 35.9706 175.6827 70 T 4.4934 8.6813 118.6916 62.2185 70.3057 173.6809 71 V 5.1218 8.3836 126.7297 61.3501 32.7700 174.5685 72 N 4.9275 8.8491 124.1472 52.7691 39.4378 174.3454 73 D 4.4706 8.8697 116.4600 57.0577 41.4868 176.8519 74 Q 4.5353 8.0772 117.7790 56.4643 31.0852 175.8998 75 K 5.0625 9.0575 117.7220 54.1008 35.5218 175.8794 76 F 5.6244 9.0159 124.0117 56.8460 38.2761 173.4863 77 D 5.1974 8.8980 121.6626 52.8156 43.7251 176.4839 78 L 4.4299 8.2915 125.1904 53.5668 43.6510 174.7225 79 N 5.3194 9.1331 124.1716 51.4928 41.6673 173.7946 80 I 4.4779 8.3458 122.9914 59.4354 40.6246 174.4436 81 I 4.2524 8.5044 128.9886 59.9974 37.8052 175.8534 82 G 3.5141 8.9727 117.8474 45.9891 0.0000 173.0856 83 T 4.1936 8.3324 114.5901 62.3903 68.7181 172.9570 84 R 4.9485 9.1429 124.7850 53.9517 34.3246 176.4518 85 E 2.5400 8.1664 118.4097 59.2032 29.4570 179.4608 86 D 4.4806 7.7837 116.9873 56.7203 41.0425 177.0546 87 D 4.7615 8.3362 118.6853 55.8597 41.1920 177.1214 88 G 4.0713 7.8816 108.4942 45.5245 0.0000 174.6150 89 G 3.7594 7.2838 108.2897 44.9880 0.0000 170.7601 90 E 5.1743 7.9903 119.5350 54.6674 33.0960 174.9839 91 Y 4.8456 8.9230 120.7243 56.1269 41.7581 174.5536 92 F 5.6781 9.4979 122.3103 55.9403 43.0510 173.0199 93 C 4.8478 9.3486 123.9341 54.8867 45.8360 172.7030 94 G 4.3254 9.5020 112.7330 44.4338 0.0000 170.5956 95 E 5.1900 8.5974 122.4936 53.6676 32.2795 175.3646 96 V 3.9722 8.4455 128.2998 62.9964 32.0550 175.7937 97 E 4.4314 8.9888 125.6924 54.9063 31.5690 177.7589 98 G 3.8943 8.4789 120.0755 47.3572 0.0000 174.0286 99 N 4.5405 9.1815 123.2341 54.1526 39.2011 174.0137 100 T 4.6480 7.4563 106.5826 59.7105 72.1820 171.8930 101 I 4.5620 7.8671 120.9691 58.9106 40.4746 174.2847 102 K 4.3120 8.3689 129.5200 54.6031 34.1453 174.7116 103 F 4.9994 8.5924 127.0450 57.1174 39.3150 175.7531 104 T 4.5101 8.8191 113.6495 62.4767 70.6183 174.2806 105 S 4.7252 7.8829 115.1535 57.7095 66.1604 172.8038 106 G 4.8409 8.4534 108.7464 46.2199 0.0000 172.0456 107 T 5.3174 9.3441 116.8751 61.6023 72.7393 173.2960 108 R 4.8029 9.0592 126.9015 55.2080 31.7487 174.5465 109 L 5.1059 9.0986 130.3312 53.6947 43.7339 175.1810 110 Q 5.0445 8.9206 123.4722 54.6005 32.7829 175.3244 111 F 4.7332 8.7539 117.0835 56.8881 39.5872 175.4242 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 4.41 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 D 8.58 4.28 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.46 3.75 1.87 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 1.29 0.46 0.90 0.00 0.00 4 K 8.55 4.06 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 5 E 8.60 4.28 0.00 2.03 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 2.33 2.34 0.00 6 L 8.44 4.45 0.00 1.63 1.76 1.11 1.38 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 7 H 9.37 4.52 0.00 3.29 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.53 4.55 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 0.88 0.00 0.00 0.98 0.00 0.00 9 K 9.13 4.49 0.00 1.60 1.58 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.56 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.23 1.26 7.81 10 T 8.43 4.74 4.19 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 1.15 0.00 0.00 11 V 8.38 4.51 1.77 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 0.75 0.00 0.00 0.03 0.00 0.00 12 K 8.71 4.58 0.00 1.80 1.74 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.32 7.81 13 R 8.58 4.47 0.00 1.85 1.90 0.00 3.21 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 14 G 9.20 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 0.00 0.00 0.00 15 E 7.96 4.16 0.00 2.13 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 0.00 2.22 2.24 0.00 16 N 8.53 5.48 0.00 2.56 2.61 0.00 0.00 6.72 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 17 V 8.56 4.50 1.91 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 0.58 0.00 0.00 0.75 0.00 0.00 18 T 8.25 4.83 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 1.15 0.00 0.00 19 M 8.91 4.57 0.00 1.63 1.23 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 20 E 8.97 5.10 0.00 2.00 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 2.35 2.36 0.00 21 C 9.67 5.03 0.00 3.04 3.48 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 22 S 8.70 5.11 0.00 3.97 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 23 M 9.21 4.17 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.79 0.00 24 S 7.34 4.73 0.00 4.04 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 25 K 7.80 4.35 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 26 V 8.86 4.06 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 0.57 0.00 0.00 0.89 0.00 0.00 27 K 8.61 4.01 0.00 1.63 1.84 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.46 7.81 28 D 8.44 4.60 0.00 2.57 2.40 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 29 K 8.32 3.60 0.00 1.14 0.74 0.00 1.37 0.00 0.00 1.13 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.02 1.12 7.81 30 D 7.95 4.54 0.00 2.84 2.76 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 31 K 8.09 4.33 0.00 1.83 1.89 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.45 7.81 32 L 7.55 5.02 0.00 1.50 1.28 0.74 0.02 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 33 A 8.86 5.37 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 34 W 9.60 5.50 0.00 3.37 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 35 Y 9.83 5.15 0.00 3.26 3.15 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 36 R 9.18 4.09 0.00 0.67 1.05 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 37 Q 8.21 4.65 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.43 0.00 38 S 8.30 4.48 0.00 3.77 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 39 F 8.78 4.17 0.00 2.95 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 40 G 8.02 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 41 K 7.40 4.60 0.00 1.81 1.67 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.45 7.81 42 V 8.04 3.76 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 0.84 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.72 0.00 2.17 2.19 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 44 Q 9.08 4.83 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 45 Y 9.15 3.86 0.00 2.94 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 46 F 8.83 4.78 0.00 2.84 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 47 V 7.17 4.58 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 0.00 0.00 0.38 0.00 0.00 0.23 0.00 0.00 48 R 9.04 5.49 0.00 2.15 2.33 0.00 2.88 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 49 Y 8.81 5.03 0.00 2.75 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 50 Y 7.74 4.46 0.00 2.97 2.59 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 51 S 7.55 4.51 0.00 3.78 3.50 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 52 S 7.30 4.72 0.00 4.01 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 53 N 8.82 4.52 0.00 2.75 2.96 0.00 0.00 6.92 7.57 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 54 S 8.01 4.17 0.00 3.74 3.89 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 55 G 10.05 4.26 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 0.00 56 Y 6.83 5.52 0.00 2.96 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 57 K 9.25 4.47 0.00 1.29 1.62 0.00 0.79 0.00 0.00 1.54 0.00 0.00 2.57 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.20 7.81 58 F 9.18 4.45 0.00 2.97 2.94 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 59 A 8.55 4.18 0.99 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 0.00 0.00 60 E 8.82 4.17 0.00 2.03 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 2.33 2.36 0.00 61 G 9.11 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 0.00 0.00 0.00 62 F 7.85 4.43 0.00 3.03 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 63 K 7.21 4.21 0.00 1.64 1.63 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.21 7.81 64 D 6.23 4.32 0.00 2.22 2.47 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 65 S 8.34 4.31 0.00 3.96 3.89 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 66 R 8.29 4.05 0.00 1.82 1.97 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 67 F 8.19 5.09 0.00 3.02 3.09 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 68 S 8.91 4.82 0.00 3.91 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 69 M 7.65 4.93 0.00 1.40 0.77 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 1.42 1.92 0.00 70 T 8.68 4.49 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 1.25 0.00 0.00 71 V 8.38 5.12 2.57 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 1.36 0.00 0.00 1.19 0.00 0.00 72 N 8.85 4.93 0.00 3.04 2.99 0.00 0.00 6.63 7.39 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 73 D 8.87 4.47 0.00 2.73 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 74 Q 8.08 4.54 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 75 K 9.06 5.06 0.00 1.80 1.78 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.55 7.81 76 F 9.02 5.62 0.00 3.00 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 77 D 8.90 5.20 0.00 2.64 2.53 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 78 L 8.29 4.43 0.00 0.27 0.28 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 79 N 9.13 5.32 0.00 2.53 2.54 0.00 0.00 6.34 7.97 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 80 I 8.35 4.48 1.53 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 0.46 0.00 0.00 81 I 8.50 4.25 1.79 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 1.23 0.74 0.91 0.00 0.00 82 G 8.97 3.51 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 0.00 0.00 0.00 83 T 8.33 4.19 4.19 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 1.31 0.00 0.00 84 R 9.14 4.95 0.00 1.81 1.68 0.00 3.19 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 1.52 1.68 0.00 85 E 8.17 2.54 0.00 1.74 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 2.08 1.47 0.00 86 D 7.78 4.48 0.00 2.68 2.77 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 87 D 8.34 4.76 0.00 2.99 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 88 G 7.88 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 89 G 7.28 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 90 E 7.99 5.17 0.00 1.67 1.62 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 2.28 2.30 0.00 91 Y 8.92 4.85 0.00 2.81 2.94 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 92 F 9.50 5.68 0.00 2.85 2.53 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 93 C 9.35 4.85 0.00 1.23 2.54 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 94 G 9.50 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 0.00 0.00 0.00 0.00 95 E 8.60 5.19 0.00 1.87 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 2.07 2.08 0.00 96 V 8.45 3.97 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 0.75 0.00 0.00 0.88 0.00 0.00 97 E 8.99 4.43 0.00 2.04 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 2.24 2.12 0.00 98 G 8.48 3.89 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 0.00 0.00 0.00 99 N 9.18 4.54 0.00 2.69 2.85 0.00 0.00 6.54 7.54 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 0.00 100 T 7.46 4.65 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 0.00 101 I 7.87 4.56 1.58 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 0.97 0.73 0.35 0.00 0.00 102 K 8.37 4.31 0.00 1.85 1.48 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.31 7.81 103 F 8.59 5.00 0.00 2.90 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 0.00 104 T 8.82 4.51 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 1.17 0.00 0.00 105 S 7.88 4.73 0.00 3.95 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 0.00 106 G 8.45 4.84 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 0.00 107 T 9.34 5.32 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 1.26 0.00 0.00 108 R 9.06 4.80 0.00 1.98 1.89 0.00 3.16 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 109 L 9.10 5.11 0.00 1.83 1.69 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.92 5.04 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 111 F 8.75 4.73 0.00 2.97 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