NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3446 8.3044 120.3280 54.4932 33.3861 174.6366 2 E 3.5409 8.7688 121.5575 56.1211 29.7183 175.0309 3 A 3.8903 9.4479 129.5144 52.4742 19.7424 176.1794 4 L 4.0153 8.7886 123.8052 58.1034 41.7353 178.7744 5 G 4.0649 9.5293 102.9192 44.8072 0.0000 172.4938 6 A 4.7546 7.3444 118.7721 50.7729 22.5269 175.7268 7 D 4.7088 9.0418 120.6669 53.2243 42.4607 176.8853 8 V 4.2410 8.2629 124.0099 62.0765 34.1582 176.4220 9 T 4.4775 8.3256 117.4203 61.8293 69.5291 171.7457 10 Q 3.7816 7.9355 122.7634 55.0279 27.0975 178.1202 11 G 3.7420 8.7971 113.2683 46.8501 0.0000 171.5285 12 L 4.9155 8.0560 119.9893 53.9857 44.3031 175.2134 13 E 5.0582 8.2705 118.1162 53.8549 33.7609 175.1005 14 K 4.0705 8.3771 121.8486 57.7507 32.6385 177.7262 15 G 3.8967 9.3985 111.9718 45.8435 0.0000 174.0189 16 S 4.3482 7.5777 115.6760 57.9794 63.7633 172.7507 17 L 5.0579 8.4341 126.9166 53.7727 42.6260 175.8147 18 I 4.8055 8.9017 117.3813 59.0648 41.8183 174.1596 19 T 4.6470 8.0942 112.8774 61.0375 70.5785 173.9673 20 C 4.6047 8.8513 126.5778 58.2898 30.6937 172.6107 21 A 4.3899 8.6367 126.8534 50.3674 16.1339 176.4695 22 D 4.8552 7.5107 117.4585 53.9605 42.8327 176.4504 23 N 5.0450 8.6946 114.3215 53.1811 37.5681 175.1714 24 T 4.0602 8.2556 108.8264 63.5802 69.7906 175.4433 25 G 3.8781 8.4199 110.8710 44.9263 0.0000 172.5444 26 A 4.5378 7.2403 122.3205 51.4215 19.8563 176.5725 27 R 4.3752 9.0009 122.6912 57.6968 31.8454 175.7781 28 E 5.0492 7.9778 119.4920 54.4442 32.2200 173.9839 29 L 5.2744 9.1452 125.6356 52.7546 46.0499 175.3331 30 K 4.9226 9.0008 124.3156 54.2802 34.4119 175.4546 31 V 3.9465 8.6393 128.9902 63.6755 31.7914 176.2799 32 I 4.1331 8.7732 128.1127 62.3889 39.9069 175.4971 33 S 4.6297 7.7216 115.4248 57.4699 67.9635 173.7614 34 V 4.4412 8.1073 120.1333 61.1153 33.0892 173.7715 35 H 3.6870 8.9125 127.2919 56.4705 29.9154 174.8128 36 G 3.7498 8.8392 115.2667 46.1466 0.0000 173.2605 37 Y 4.5760 7.6160 117.2271 55.9117 41.9652 173.5262 38 S 4.3981 7.9343 121.3697 56.2014 65.3384 173.2045 39 G 4.0474 7.8835 126.6986 45.1776 0.0000 173.3339 40 T 4.5078 8.3172 117.7952 59.8618 70.1468 172.7642 41 K 3.6576 8.5169 126.3836 58.1176 32.9750 175.8977 42 N 4.2158 8.9941 122.3192 53.6951 35.2001 174.3346 43 R 4.5476 7.3717 115.8360 54.9717 33.7531 173.7810 44 H 4.4112 8.8475 122.7005 54.5758 28.6882 173.0132 45 P 4.5745 0.0000 0.0000 63.1976 31.9386 175.4838 46 K 4.5926 8.3188 124.5881 56.2788 33.6111 176.0027 47 A 4.6136 9.8261 127.5497 50.1340 21.7703 175.7189 48 G 4.5095 8.7673 107.9290 43.8564 0.0000 171.3573 49 L 3.7615 8.7321 122.8931 55.9560 42.3822 177.2386 50 G 3.9697 8.9280 115.3114 46.1206 0.0000 172.3845 51 D 5.0125 7.6273 116.8018 51.8877 44.8558 175.6636 52 K 4.6833 8.7696 124.1683 55.4344 33.0618 174.9683 53 I 4.8691 8.0473 121.3280 59.4951 40.4097 175.1158 54 T 4.6856 8.5908 121.3823 63.3018 69.9345 174.2556 55 V 4.9966 8.9061 123.8624 60.2886 35.6877 173.6586 56 S 5.0997 8.7597 116.3050 56.4242 65.5691 173.3635 57 V 4.0936 8.2458 126.4218 63.0908 31.3357 176.4312 58 T 4.1205 9.0708 126.3372 65.2877 68.3158 174.9169 59 K 4.5581 8.1183 120.2275 54.0827 35.2780 176.2053 60 G 3.9672 7.8842 109.6483 46.1054 0.0000 172.1742 61 T 4.1422 7.2677 109.2240 60.5758 69.4884 173.5866 62 P 4.2125 0.0000 0.0000 66.3018 31.2856 178.4296 63 E 4.1448 8.0197 115.9182 59.4034 29.4382 178.5890 64 M 4.1939 8.1491 118.8046 57.1070 32.2415 177.2354 65 R 4.0379 7.3806 116.0969 57.8901 30.7316 176.4749 66 R 3.9144 8.1472 117.9826 56.9822 28.6320 175.9822 67 Q 4.4492 7.5137 116.7955 54.7375 30.6395 175.1430 68 V 4.3715 8.3526 124.0404 61.9096 31.9816 174.7374 69 L 4.9627 8.8286 127.6836 52.8729 46.4019 176.2592 70 E 4.8397 8.6101 119.7080 56.3962 31.7154 174.9822 71 A 4.8918 8.1863 121.0858 51.4630 23.7618 175.2120 72 V 4.3710 8.1402 118.7931 60.6761 34.5483 174.8545 73 V 3.7973 8.5043 128.5600 63.4498 32.2313 176.2079 74 V 3.7948 8.4163 128.1092 64.3815 33.1021 175.5628 75 R 4.1665 8.0628 118.1415 54.3439 34.5362 174.4477 76 Q 4.7360 7.7418 116.3963 55.6900 31.1844 175.5472 77 R 4.2192 8.7016 119.8564 58.9367 30.6464 177.5686 78 K 4.1955 7.8856 119.0665 55.4400 32.6111 175.2642 79 P 5.4037 0.0000 0.0000 62.5966 32.3859 175.0390 80 I 4.7521 8.3595 114.3488 59.1101 41.7441 173.6509 81 R 5.0500 9.3031 122.5315 54.6706 32.8646 174.3752 82 R 4.8546 8.5923 124.7683 54.1563 32.2194 176.2811 83 P 4.3359 0.0000 0.0000 65.2231 31.8758 176.5699 84 D 4.7843 8.1817 117.0330 52.8401 39.7245 178.3918 85 G 4.1539 8.6206 113.3928 47.0281 0.0000 175.3821 86 T 3.9367 7.5664 115.9372 64.5120 69.3776 174.1919 87 R 5.4093 8.4267 123.6406 54.6083 32.6057 175.8927 88 V 4.5754 8.0015 119.6320 61.4173 35.0380 173.7183 89 K 5.1392 8.3816 125.1281 55.4284 35.9713 175.1235 90 F 4.8293 8.6764 118.8893 55.3870 41.6972 176.6293 91 E 4.0372 9.1847 122.2625 58.4620 29.6899 176.2280 92 D 4.6327 7.4316 115.2418 53.0427 42.6649 175.2817 93 N 4.9144 8.3420 118.0214 52.1381 39.0744 173.7852 94 A 4.9227 8.9334 124.5368 50.2667 23.6241 174.1435 95 A 4.9871 9.0374 119.7523 50.3422 23.5300 175.2970 96 V 4.4329 8.1404 119.4630 60.8029 33.9290 175.2543 97 I 4.2841 7.9269 130.3470 61.5024 37.9594 175.7625 98 V 4.8369 8.2180 125.9752 60.1684 34.6912 174.2386 99 D 5.1179 8.2199 120.2616 51.6347 41.7989 175.8359 100 E 3.8776 9.0065 118.6006 60.1566 29.4748 178.3684 101 N 4.7280 8.2266 112.4541 52.6713 38.7165 174.6765 102 E 3.8864 8.0725 116.1118 58.0779 27.6078 174.2898 103 D 5.1135 9.5476 118.0100 50.3025 44.0622 174.5188 104 P 4.6473 0.0000 0.0000 63.5435 31.3564 176.4475 105 R 4.1322 8.4743 120.7291 57.6433 30.9898 176.9907 106 G 4.3993 7.6722 107.2173 45.5178 0.0000 173.4444 107 T 4.5126 9.7621 113.8038 63.5824 72.5270 173.8629 108 E 4.6934 8.4142 119.7400 54.4981 32.4578 175.5148 109 L 4.5669 8.3103 123.1221 52.4235 43.1687 176.1749 110 K 3.9261 8.6085 123.3085 57.3414 32.8123 178.0768 111 G 3.9321 8.8783 114.2546 43.5992 0.0000 170.7616 112 P 4.8246 0.0000 0.0000 63.1794 32.2553 175.2565 113 I 4.7525 8.3388 118.8262 59.8083 42.3850 174.2867 114 A 5.2773 7.9097 124.9219 50.8523 20.2384 178.7129 115 R 4.2157 9.2863 117.1984 57.4555 29.6534 177.3543 116 E 4.3347 8.0133 118.8578 58.6069 30.7143 178.5449 117 V 3.6704 7.7788 117.7639 65.5878 31.0340 177.6311 118 A 3.9969 8.1521 120.2784 55.6317 17.9344 178.9390 119 Q 3.9630 7.3150 114.3378 60.4700 28.9490 179.7704 120 R 3.8094 8.0293 117.9560 57.1481 31.6074 178.2549 121 F 4.6596 8.5053 120.0588 56.2616 36.7637 176.8784 122 G 3.7196 7.9900 109.4459 47.8595 0.0000 172.5820 123 S 3.7102 8.1353 116.0485 61.2825 62.6913 176.6398 124 V 3.6784 7.6940 120.5149 65.3569 31.6352 177.4187 125 A 4.1991 8.0353 120.8673 54.8624 18.6294 179.8649 126 S 4.5657 8.8043 112.2945 57.5273 62.6711 174.1503 127 A 4.6039 7.5862 120.7435 54.0039 25.2948 177.5731 128 A 4.0789 7.9505 119.7604 52.7096 18.1786 177.0311 129 T 4.1186 7.8508 120.8227 64.8544 69.3831 174.0415 130 M 4.5018 7.6755 119.2908 54.5438 34.4540 175.0479 131 I 4.7722 8.3318 123.1592 59.6787 40.2811 175.5664 132 V 4.0106 8.9000 127.3041 62.8223 31.5293 175.5510 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 4.34 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 2 E 8.77 3.54 0.00 1.93 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 2.27 2.34 0.00 3 A 9.45 3.89 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 4 L 8.79 4.02 0.00 1.67 1.79 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.53 4.06 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 0.00 0.00 0.00 6 A 7.34 4.75 1.23 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 0.00 0.00 0.00 7 D 9.04 4.71 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 8 V 8.26 4.24 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 0.80 0.00 0.00 0.95 0.00 0.00 9 T 8.33 4.48 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 1.22 0.00 0.00 10 Q 7.94 3.78 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 11 G 8.80 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 12 L 8.06 4.92 0.00 1.64 1.70 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.27 5.06 0.00 1.90 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 2.29 2.26 0.00 14 K 8.38 4.07 0.00 1.80 1.70 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 15 G 9.40 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 16 S 7.58 4.35 0.00 4.00 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 17 L 8.43 5.06 0.00 1.55 1.58 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.90 4.81 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.87 0.00 0.00 19 T 8.09 4.65 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 1.20 0.00 0.00 20 C 8.85 4.60 0.00 2.95 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 21 A 8.64 4.39 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 22 D 7.51 4.86 0.00 2.87 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 23 N 8.69 5.05 0.00 2.80 2.89 0.00 0.00 5.90 7.71 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 24 T 8.26 4.06 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 1.22 0.00 0.00 25 G 8.42 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 0.00 0.00 0.00 26 A 7.24 4.54 1.24 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 0.00 0.00 27 R 9.00 4.38 0.00 1.90 1.95 0.00 3.29 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 28 E 7.98 5.05 0.00 2.02 1.88 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 2.27 2.30 0.00 29 L 9.15 5.27 0.00 1.50 1.46 0.88 0.70 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 30 K 9.00 4.92 0.00 1.74 1.64 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.64 3.95 2.19 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 0.84 0.00 0.00 0.95 0.00 0.00 32 I 8.77 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.91 0.00 0.00 33 S 7.72 4.63 0.00 3.75 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 34 V 8.11 4.44 2.06 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 0.73 0.00 0.00 0.83 0.00 0.00 35 H 8.91 3.69 0.00 3.35 3.34 0.00 6.10 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.84 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 37 Y 7.62 4.58 0.00 2.87 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 38 S 7.93 4.40 0.00 3.68 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 39 G 7.88 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 0.00 0.00 0.00 40 T 8.32 4.51 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 1.22 0.00 0.00 41 K 8.52 3.66 0.00 1.75 1.75 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 8.99 4.22 0.00 2.91 2.89 0.00 0.00 6.78 7.66 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 43 R 7.37 4.55 0.00 1.75 1.88 0.00 3.40 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 44 H 8.85 4.41 0.00 3.22 3.25 0.00 5.97 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.57 0.00 2.16 2.51 0.00 3.74 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 46 K 8.32 4.59 0.00 1.66 1.80 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.08 7.81 47 A 9.83 4.61 1.16 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 0.00 0.00 48 G 8.77 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 0.00 0.00 0.00 0.00 49 L 8.73 3.76 0.00 1.72 1.58 0.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.93 3.97 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 0.00 0.00 0.00 51 D 7.63 5.01 0.00 2.82 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 52 K 8.77 4.68 0.00 2.02 1.77 0.00 1.82 0.00 0.00 2.17 0.00 0.00 2.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.50 7.81 53 I 8.05 4.87 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.86 0.00 0.00 54 T 8.59 4.69 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 1.21 0.00 0.00 55 V 8.91 5.00 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 0.77 0.00 0.00 0.97 0.00 0.00 56 S 8.76 5.10 0.00 3.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.25 4.09 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 0.87 0.00 0.00 1.02 0.00 0.00 58 T 9.07 4.12 4.28 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 1.31 0.00 0.00 59 K 8.12 4.56 0.00 1.75 1.67 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.57 7.81 60 G 7.88 3.97 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 0.00 0.00 0.00 61 T 7.27 4.14 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 1.24 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.19 0.00 3.67 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 2.20 0.00 63 E 8.02 4.14 0.00 1.93 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 2.31 2.33 0.00 64 M 8.15 4.19 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 65 R 7.38 4.04 0.00 1.79 1.88 0.00 3.32 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 66 R 8.15 3.91 0.00 1.91 2.05 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.51 4.45 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 68 V 8.35 4.37 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 8.83 4.96 0.00 1.55 1.46 0.91 1.08 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 70 E 8.61 4.84 0.00 1.90 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 2.37 2.31 0.00 71 A 8.19 4.89 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 72 V 8.14 4.37 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 0.01 0.00 0.00 -0.14 0.00 0.00 73 V 8.50 3.80 2.19 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 0.79 0.00 0.00 0.86 0.00 0.00 74 V 8.42 3.79 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 0.81 0.00 0.00 0.89 0.00 0.00 75 R 8.06 4.17 0.00 1.64 1.43 0.00 3.44 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.33 0.00 76 Q 7.74 4.74 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 77 R 8.70 4.22 0.00 1.85 2.05 0.00 3.22 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 78 K 7.89 4.20 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.55 7.81 79 P 0.00 5.40 0.00 1.99 2.00 0.00 3.74 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 80 I 8.36 4.75 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.99 0.00 0.00 81 R 9.30 5.05 0.00 1.84 1.78 0.00 3.08 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 82 R 8.59 4.85 0.00 1.82 1.82 0.00 3.23 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.34 0.00 2.05 2.12 0.00 3.67 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 2.04 2.14 0.00 84 D 8.18 4.78 0.00 2.81 2.86 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 85 G 8.62 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 86 T 7.57 3.94 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 1.20 0.00 0.00 87 R 8.43 5.41 0.00 1.68 1.85 0.00 3.40 0.00 0.00 3.82 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.40 0.00 88 V 8.00 4.58 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 0.79 0.00 0.00 0.92 0.00 0.00 89 K 8.38 5.14 0.00 1.95 1.72 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.68 4.83 0.00 3.28 3.01 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 0.00 0.00 0.00 91 E 9.18 4.04 0.00 1.96 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 2.31 2.32 0.00 92 D 7.43 4.63 0.00 2.62 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 93 N 8.34 4.91 0.00 2.74 2.97 0.00 0.00 5.64 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 94 A 8.93 4.92 1.20 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 0.00 0.00 0.00 95 A 9.04 4.99 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 96 V 8.14 4.43 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 0.89 0.00 0.00 0.89 0.00 0.00 97 I 7.93 4.28 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.93 0.00 0.00 98 V 8.22 4.84 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 0.68 0.00 0.00 0.94 0.00 0.00 99 D 8.22 5.12 0.00 2.85 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 0.00 100 E 9.01 3.88 0.00 1.95 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 2.31 2.36 0.00 101 N 8.23 4.73 0.00 2.76 2.83 0.00 0.00 6.90 7.66 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 0.00 102 E 8.07 3.89 0.00 2.22 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 0.00 2.43 2.34 0.00 103 D 9.55 5.11 0.00 2.67 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 0.00 104 P 0.00 4.65 0.00 2.16 2.06 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 105 R 8.47 4.13 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.67 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 0.00 0.00 0.00 0.00 107 T 9.76 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 1.21 0.00 0.00 108 E 8.41 4.69 0.00 2.05 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 2.30 2.37 0.00 109 L 8.31 4.57 0.00 1.48 1.58 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.61 3.93 0.00 1.63 1.75 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 111 G 8.88 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 0.00 112 P 0.00 4.82 0.00 2.33 2.18 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 113 I 8.34 4.75 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.91 0.00 0.00 114 A 7.91 5.28 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 0.00 115 R 9.29 4.22 0.00 1.92 2.10 0.00 3.08 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 116 E 8.01 4.33 0.00 2.14 2.06 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 2.38 2.37 0.00 117 V 7.78 3.67 2.21 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 1.05 0.00 0.00 0.90 0.00 0.00 118 A 8.15 4.00 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 0.00 119 Q 7.32 3.96 0.00 2.04 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 120 R 8.03 3.81 0.00 1.85 0.99 0.00 3.34 0.00 0.00 3.15 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 121 F 8.51 4.66 0.00 3.11 3.01 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 0.00 0.00 0.00 122 G 7.99 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 0.00 0.00 0.00 123 S 8.14 3.71 0.00 4.09 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 0.00 124 V 7.69 3.68 2.37 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 0.84 0.00 0.00 0.97 0.00 0.00 125 A 8.04 4.20 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.80 4.57 0.00 3.91 3.97 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 0.00 127 A 7.59 4.60 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 0.00 128 A 7.95 4.08 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 0.00 129 T 7.85 4.12 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 1.22 0.00 0.00 130 M 7.68 4.50 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 131 I 8.33 4.77 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.90 4.01 2.15 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 0.86 0.00 0.00 1.03 0.00 0.00