NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2008 8.1727 122.0491 56.2902 34.1775 173.8932 2 V 4.5534 8.0994 126.0869 60.7739 32.5346 174.7055 3 F 4.2763 9.9623 128.6795 57.4522 40.3775 174.6377 4 E 4.4135 8.6810 120.4697 55.4257 31.2733 177.0296 5 R 3.3668 8.9459 121.7108 60.5485 29.9909 179.6144 6 C 4.3450 8.0299 115.2780 59.7521 35.2331 175.6521 7 E 3.8918 8.1269 120.7338 59.1657 29.2390 178.5153 8 L 3.5608 8.1054 120.2531 57.6631 42.0547 178.5551 9 A 3.9256 7.8560 120.7865 55.4749 18.4514 179.9334 10 R 3.9059 8.0901 116.3835 59.4953 29.9646 179.4739 11 T 3.8554 7.7165 115.4125 66.6533 68.4656 176.7112 12 L 3.8627 7.9620 120.9905 57.4450 41.5899 179.4672 13 K 3.8632 7.9687 119.6185 59.6257 31.9719 178.8456 14 R 3.9411 7.6388 117.1818 59.0588 30.0153 177.4766 15 L 4.3245 7.3938 116.0470 53.9448 41.9534 176.6512 16 G 3.8303 7.8209 106.9403 47.0822 0.0000 175.1587 17 M 3.8920 7.7844 120.9092 56.3820 32.4892 176.1042 18 D 4.4491 7.9878 118.4051 55.5829 41.4305 176.0061 19 G 3.9469 9.2900 115.3422 45.4742 0.0000 171.7477 20 Y 4.2452 8.2160 122.0182 58.9381 38.8534 176.3197 21 R 3.6143 9.0824 126.1742 57.1440 27.9034 177.1156 22 G 3.8369 8.2179 103.0279 45.6609 0.0000 173.8813 23 I 4.1930 7.8502 122.0800 58.9263 38.3670 175.9463 24 S 4.6758 8.3700 120.1096 57.7368 64.0298 174.8538 25 L 4.2209 9.1923 123.5126 58.6164 41.6835 179.3235 26 A 4.1884 8.1719 120.0973 55.2089 18.2058 179.2672 27 N 4.3815 8.0165 114.5964 56.4511 38.6557 177.6139 28 W 4.2367 8.0324 119.7719 60.0485 29.1679 178.3760 29 M 4.1628 8.3934 118.6246 58.4306 31.4270 177.7794 30 C 3.0864 8.0907 118.6804 59.2804 44.9154 175.2962 31 L 3.9425 8.2446 121.7555 58.3658 41.7188 178.8224 32 A 4.1433 8.3407 120.6204 54.8732 18.2998 179.5739 33 K 2.9638 8.0450 118.1458 59.3963 32.1015 179.1847 34 W 4.2119 7.7441 117.2920 58.9903 29.0497 178.4729 35 E 4.2912 8.2412 118.6143 58.6909 29.0227 177.7629 36 S 4.5410 7.8968 110.2881 56.6144 64.4406 174.6072 37 G 3.2269 8.0201 108.4175 46.8759 0.0000 173.3134 38 Y 3.6716 7.6757 113.5484 58.6303 35.0271 168.4599 39 N 5.2602 7.6879 118.6848 52.0915 39.9827 175.8554 40 T 4.0742 8.9082 117.0033 64.0140 69.2237 175.9125 41 R 4.2794 7.9435 119.9412 56.3019 30.6470 175.9915 42 A 4.2864 7.4982 119.0557 53.7763 19.3278 176.7532 43 T 4.9741 8.3305 110.7033 60.0690 72.3185 172.8444 44 N 4.9045 8.9918 122.5326 52.0740 42.0412 172.1928 45 Y 4.7172 8.6808 127.9874 57.1205 40.7854 173.9572 46 N 4.6940 8.6739 125.2140 51.3104 38.2409 175.4493 47 A 3.4974 8.1687 127.4041 54.6901 18.9529 179.2335 48 G 3.7503 8.0506 104.1861 48.0681 0.0000 173.7583 49 D 4.7322 7.4753 114.8541 51.8657 40.3108 175.6418 50 R 3.9788 8.2112 116.9452 57.2678 28.0738 175.7903 51 S 4.9892 7.7501 111.3584 57.0117 66.4700 172.6434 52 T 5.1274 8.8515 115.6889 61.9415 72.6952 172.8038 53 D 5.4574 8.9204 124.8363 53.1187 43.2394 175.1161 54 Y 5.0131 9.2816 120.9698 57.4458 41.9339 177.0983 55 G 4.5601 9.1316 111.7479 46.0851 0.0000 173.5829 56 I 3.9175 8.1767 116.7885 62.7930 37.7693 176.8111 57 F 4.7183 7.9992 115.6055 56.4303 40.0183 175.2699 58 Q 3.5986 8.0031 119.0014 57.1047 26.3878 173.3528 59 I 4.4853 8.5347 119.4223 60.8155 39.3194 176.3911 60 N 5.4037 9.2110 126.3832 53.2847 39.7858 175.7580 61 S 4.4325 9.3082 121.0124 60.7621 63.2764 175.4585 62 R 3.7618 9.2506 122.4538 58.6912 30.4299 177.7496 63 Y 4.2561 7.7269 114.5299 57.7322 40.6166 177.1521 64 W 4.8728 7.9724 118.5961 57.5826 30.3131 173.4514 65 C 5.6357 7.9562 109.9629 53.5214 45.0924 172.1165 66 N 4.9389 9.0327 119.1665 51.9813 39.8392 174.5434 67 D 4.8319 8.4935 122.8340 52.0986 40.6249 178.2482 68 G 4.1046 8.3989 110.8903 46.4692 0.0000 174.8601 69 K 4.3296 8.0054 116.2209 56.8430 33.0306 176.2164 70 T 4.4497 7.6798 117.4628 61.4778 68.6693 172.7771 71 P 4.3144 0.0000 0.0000 63.5985 32.0919 176.4909 72 G 3.7225 8.5364 108.1032 46.6166 0.0000 173.1822 73 A 4.6037 7.1052 116.7878 50.6939 20.3716 177.8103 74 V 4.3353 8.5613 112.5979 59.2411 35.5496 175.8666 75 N 4.9773 8.0734 117.9264 51.8447 37.6174 174.4711 76 A 4.0118 9.0775 124.9107 54.8375 19.1225 178.4553 77 C 4.4799 8.5484 111.4010 57.2071 40.9952 173.0252 78 H 4.0783 7.7536 116.1980 56.6684 26.3847 174.4487 79 L 4.8317 8.0435 117.1613 52.8502 46.2835 176.5820 80 S 4.6702 8.3867 115.7957 57.9679 63.2881 175.9988 81 C 4.0662 8.7732 124.7662 59.6211 36.2582 176.2641 82 S 3.9609 7.6696 114.8345 61.5204 61.6663 176.1137 83 A 4.1473 7.8170 121.7372 54.2483 18.0686 177.9070 84 L 4.8521 7.5939 115.9238 54.1572 41.8574 177.5755 85 L 4.9362 7.8479 117.6224 54.3824 42.7960 176.1851 86 D 4.7691 7.7654 118.6100 52.4119 41.4826 175.6520 87 D 4.5733 8.5196 117.5160 54.6704 41.0802 175.7053 88 N 4.8248 7.9089 118.8788 52.2290 39.6665 174.4760 89 I 4.6285 8.5461 120.5140 60.4011 38.1525 177.2549 90 A 3.9431 7.9724 125.1478 55.7801 18.2325 180.0987 91 D 4.3295 8.0320 117.2598 56.4052 39.6353 178.1198 92 D 4.4584 8.1833 119.9284 57.3361 40.8006 178.8530 93 V 3.4612 8.0804 118.3374 66.0382 31.6545 177.7403 94 A 3.7953 7.8253 120.4121 55.3574 18.0971 178.8680 95 C 4.1885 8.4261 116.7389 59.7082 38.2597 175.5774 96 A 3.8786 8.2702 122.8170 55.0629 17.5704 179.8051 97 K 3.7517 7.7110 116.4762 59.3852 32.4042 179.1826 98 R 4.0382 7.6265 118.5521 59.2841 30.0116 178.4958 99 V 2.2493 7.3517 117.9219 65.8572 31.2575 178.2981 100 V 3.7971 7.6489 110.2946 63.2015 31.2000 177.9356 101 R 4.2051 7.5660 116.5525 56.7616 30.5711 176.3934 102 D 4.7235 7.6866 119.5799 52.8890 41.9609 175.5336 103 P 4.2040 0.0000 0.0000 66.1624 31.1136 178.1716 104 Q 4.0150 8.2139 116.3899 56.8125 29.8196 177.7925 105 G 3.9766 8.0274 107.1716 47.0476 0.0000 175.8706 106 I 3.8005 7.8034 119.8166 63.3579 38.0952 178.0650 107 R 4.2153 7.2400 117.4647 58.2006 29.9149 177.6151 108 A 4.0605 7.5643 120.4193 53.6941 18.5304 177.2428 109 W 4.7979 8.1471 117.0350 54.7997 30.4805 177.2530 110 V 3.7659 8.7223 124.8234 64.8566 30.8623 177.9856 111 A 4.0478 8.3552 120.8844 54.5971 18.1145 179.2741 112 W 3.9595 8.2427 126.7854 60.7985 30.6197 178.4415 113 R 3.7069 8.1695 116.1314 59.2311 29.6297 178.4392 114 N 4.3445 7.9878 115.2361 55.8614 38.7238 176.9668 115 R 3.9676 8.0223 116.9270 56.2314 31.2106 176.4418 116 C 4.5413 7.8380 115.4514 57.5910 42.5799 174.3787 117 Q 3.1189 6.5805 119.3099 57.3018 28.6695 175.3480 118 N 4.1799 8.5541 120.5914 54.3040 36.3092 173.9883 119 R 4.4995 7.1927 115.3329 54.1167 32.7956 175.8557 120 D 4.5449 8.4728 119.5511 54.2113 40.6255 175.9540 121 V 4.5940 8.2179 119.2508 61.2465 32.2328 178.3790 122 R 4.0517 8.0868 122.6811 59.1580 30.2610 178.8366 123 Q 4.1632 8.2699 115.2745 58.7983 28.2028 179.1273 124 Y 4.0891 7.4740 114.6691 59.8169 38.2416 177.3308 125 V 4.4024 8.1174 111.3415 60.5409 32.9836 175.6228 126 Q 4.1533 7.5926 119.6189 57.4648 28.6565 177.7491 127 G 4.0031 8.8121 108.4598 46.2401 0.0000 174.6449 128 C 4.4231 8.1439 115.9526 56.5988 40.7224 173.5811 129 G 3.8263 7.9907 107.2607 47.0714 0.0000 174.1947 130 V 4.0023 7.8547 117.0172 61.1250 32.0298 176.1607 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 K 8.17 4.20 0.00 1.86 1.81 0.00 1.34 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.10 7.81 2 V 8.10 4.55 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 9.96 4.28 0.00 2.89 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 4 E 8.68 4.41 0.00 1.86 1.87 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 2.41 2.39 0.00 5 R 8.95 3.37 0.00 1.94 1.93 0.00 3.42 0.00 0.00 3.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 6 C 8.03 4.34 0.00 3.00 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 7 E 8.13 3.89 0.00 2.06 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 0.00 2.64 2.44 0.00 8 L 8.11 3.56 0.00 1.31 1.34 -0.26 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 3.93 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 10 R 8.09 3.91 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.72 3.86 4.21 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 1.19 0.00 0.00 12 L 7.96 3.86 0.00 1.75 1.59 0.95 0.43 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 13 K 7.97 3.86 0.00 1.94 1.90 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.64 3.94 0.00 2.04 2.03 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.39 4.32 0.00 1.62 1.55 0.85 1.32 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 16 G 7.82 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 17 M 7.78 3.89 0.00 1.24 1.95 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 18 D 7.99 4.45 0.00 2.68 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 19 G 9.29 3.95 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 0.00 0.00 0.00 20 Y 8.22 4.25 0.00 3.28 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 21 R 9.08 3.61 0.00 1.85 1.81 0.00 3.19 0.00 0.00 2.89 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 22 G 8.22 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 23 I 7.85 4.19 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.02 -0.25 0.00 0.00 24 S 8.37 4.68 0.00 4.07 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 L 9.19 4.22 0.00 2.02 1.82 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.19 1.52 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 0.00 0.00 27 N 8.02 4.38 0.00 2.79 2.79 0.00 0.00 6.97 8.78 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 28 W 8.03 4.24 0.00 3.56 3.19 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 29 M 8.39 4.16 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.94 0.00 30 C 8.09 3.09 0.00 2.58 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 31 L 8.24 3.94 0.00 1.75 1.79 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.34 4.14 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.04 2.96 0.00 1.69 1.80 0.00 0.70 0.00 0.00 0.89 0.00 0.00 2.43 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.49 7.81 34 W 7.74 4.21 0.00 3.36 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 35 E 8.24 4.29 0.00 2.00 2.07 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 2.53 2.30 0.00 36 S 7.90 4.54 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 37 G 8.02 3.23 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 0.00 38 Y 7.68 3.67 0.00 3.22 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.69 5.26 0.00 2.84 2.82 0.00 0.00 7.01 7.10 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 40 T 8.91 4.07 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 1.44 0.00 0.00 41 R 7.94 4.28 0.00 1.86 2.14 0.00 3.30 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 A 7.50 4.29 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 43 T 8.33 4.97 4.03 0.00 0.00 0.00 0.00 0.00 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 44 N 8.99 4.90 0.00 2.89 2.87 0.00 0.00 6.66 7.13 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 45 Y 8.68 4.72 0.00 3.04 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 46 N 8.67 4.69 0.00 2.68 2.62 0.00 0.00 6.50 6.99 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 47 A 8.17 3.50 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 48 G 8.05 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 49 D 7.48 4.73 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 50 R 8.21 3.98 0.00 2.03 2.19 0.00 3.11 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 51 S 7.75 4.99 0.00 3.92 3.92 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 0.00 0.00 0.00 52 T 8.85 5.13 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 0.51 0.00 0.00 53 D 8.92 5.46 0.00 2.74 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 54 Y 9.28 5.01 0.00 2.99 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 55 G 9.13 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.92 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.84 0.25 0.00 0.00 57 F 8.00 4.72 0.00 3.22 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 58 Q 8.00 3.60 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 59 I 8.53 4.49 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.05 1.14 0.00 0.00 60 N 9.21 5.40 0.00 3.08 3.02 0.00 0.00 6.97 7.19 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 61 S 9.31 4.43 0.00 4.16 4.46 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 62 R 9.25 3.76 0.00 1.56 1.29 0.00 2.55 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 63 Y 7.73 4.26 0.00 1.49 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 64 W 7.97 4.87 0.00 3.64 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 65 C 7.96 5.64 0.00 3.19 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 66 N 9.03 4.94 0.00 2.76 2.69 0.00 0.00 7.14 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 67 D 8.49 4.83 0.00 2.89 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 68 G 8.40 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 0.00 0.00 0.00 69 K 8.01 4.33 0.00 1.92 1.94 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 T 7.68 4.45 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 1.16 0.00 0.00 71 P 0.00 4.31 0.00 2.20 2.17 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 72 G 8.54 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 73 A 7.11 4.60 1.26 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 74 V 8.56 4.34 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 0.63 0.00 0.00 0.84 0.00 0.00 75 N 8.07 4.98 0.00 2.78 2.63 0.00 0.00 6.75 8.32 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 76 A 9.08 4.01 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 77 C 8.55 4.48 0.00 3.22 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 78 H 7.75 4.08 0.00 3.35 3.39 0.00 5.79 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 79 L 8.04 4.83 0.00 1.69 1.49 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.39 4.67 0.00 3.83 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 81 C 8.77 4.07 0.00 2.25 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 82 S 7.67 3.96 0.00 3.80 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 83 A 7.82 4.15 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 84 L 7.59 4.85 0.00 1.95 1.82 1.05 0.82 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 85 L 7.85 4.94 0.00 1.84 1.74 1.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.77 4.77 0.00 2.77 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 87 D 8.52 4.57 0.00 2.67 2.69 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 88 N 7.91 4.82 0.00 2.70 2.73 0.00 0.00 7.07 7.82 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 89 I 8.55 4.63 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.96 0.00 0.00 90 A 7.97 3.94 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 91 D 8.03 4.33 0.00 2.98 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 D 8.18 4.46 0.00 3.01 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 93 V 8.08 3.46 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 0.78 0.00 0.00 0.96 0.00 0.00 94 A 7.83 3.80 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 95 C 8.43 4.19 0.00 3.04 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 96 A 8.27 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.71 3.75 0.00 1.59 1.44 0.00 1.25 0.00 0.00 0.72 0.00 0.00 2.28 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.79 7.81 98 R 7.63 4.04 0.00 1.97 2.09 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 99 V 7.35 2.25 1.78 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 -0.21 0.00 0.00 -0.48 0.00 0.00 100 V 7.65 3.80 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 0.98 0.00 0.00 1.39 0.00 0.00 101 R 7.57 4.21 0.00 2.07 2.04 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 102 D 7.69 4.72 0.00 3.14 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 0.00 103 P 0.00 4.20 0.00 2.01 2.13 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 104 Q 8.21 4.02 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 105 G 8.03 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 0.00 106 I 7.80 3.80 1.14 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.95 -0.63 0.00 0.00 107 R 7.24 4.22 0.00 2.08 2.03 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 108 A 7.56 4.06 0.93 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 0.00 109 W 8.15 4.80 0.00 3.69 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 0.00 110 V 8.72 3.77 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 0.94 0.00 0.00 0.98 0.00 0.00 111 A 8.36 4.05 1.52 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 0.00 0.00 112 W 8.24 3.96 0.00 3.40 3.47 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 0.00 113 R 8.17 3.71 0.00 1.95 1.98 0.00 3.35 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 114 N 7.99 4.34 0.00 2.57 2.72 0.00 0.00 6.98 7.30 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 0.00 115 R 8.02 3.97 0.00 1.13 0.66 0.00 2.21 0.00 0.00 2.41 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.23 0.00 116 C 7.84 4.54 0.00 1.76 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 0.00 117 Q 6.58 3.12 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 118 N 8.55 4.18 0.00 2.79 2.81 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 0.00 119 R 7.19 4.50 0.00 1.82 1.79 0.00 3.16 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 120 D 8.47 4.54 0.00 2.62 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 0.00 121 V 8.22 4.59 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 1.10 0.00 0.00 1.05 0.00 0.00 122 R 8.09 4.05 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.27 4.16 0.00 1.91 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.89 0.00 0.00 0.00 0.00 0.00 2.20 1.26 0.00 124 Y 7.47 4.09 0.00 3.11 3.20 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 0.00 125 V 8.12 4.40 2.14 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 1.05 0.00 0.00 1.06 0.00 0.00 126 Q 7.59 4.15 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.79 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 127 G 8.81 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 0.00 128 C 8.14 4.42 0.00 3.12 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 0.00 129 G 7.99 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 0.00 130 V 7.85 4.00 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 0.80 0.00 0.00 0.96 0.00 0.00