NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8825 8.3549 109.7376 45.3251 0.0000 174.7605 4 C 4.4579 8.0063 117.4783 54.8862 35.7213 171.7647 5 L 4.3984 8.8431 121.9482 53.5190 42.7935 175.0220 6 P 4.4318 0.0000 0.0000 64.7762 31.5781 176.4617 7 D 4.6064 8.9968 120.1497 54.5777 38.2830 173.3546 8 W 4.8420 8.0347 118.4516 55.1615 31.2061 175.6430 9 S 4.9532 9.7382 119.4247 57.3435 63.6878 172.8940 10 S 5.4495 8.6138 120.5274 57.2925 65.5280 173.2370 11 Y 4.1299 9.1954 121.2966 57.9389 41.9173 174.7221 12 K 3.4860 9.1669 129.0446 57.4705 29.6999 175.6049 13 G 3.8639 7.8721 104.1557 45.9079 0.0000 171.5203 14 H 5.1322 8.1619 116.0249 53.8844 33.3221 171.7186 15 C 5.6207 8.5731 117.0796 55.5306 41.5443 173.0263 16 Y 5.6838 9.7678 119.5766 56.5324 42.4492 174.6750 17 K 4.2463 8.6883 123.1679 55.1824 35.7216 174.7815 18 V 4.2191 7.9999 128.0190 62.0622 32.7936 174.7627 19 F 4.2735 8.7690 126.9245 55.3860 40.4042 176.8088 20 K 3.7891 8.6503 125.7999 58.8538 32.4579 177.7008 21 V 3.6354 7.6678 117.7149 62.5801 31.4008 175.7121 22 E 4.7382 8.7713 124.4685 55.5900 30.6469 175.7066 23 K 4.9216 9.0488 122.7216 54.6069 37.5047 176.0492 24 T 5.4522 8.3357 110.8469 60.5550 69.9523 175.3664 25 W 2.5400 7.9761 130.7888 60.1361 30.3745 177.7779 26 A 3.8299 7.9950 119.9100 55.4407 17.7493 179.1862 27 D 4.1734 7.8200 116.5506 57.2088 40.8241 178.9585 28 A 2.8870 7.5818 121.3908 54.6226 18.2518 179.2199 29 E 3.4604 7.2864 117.7892 59.1148 29.5834 178.9655 30 K 3.7970 7.6773 119.5864 59.3402 32.1093 178.3613 31 F 3.9348 8.2167 121.1714 61.6026 39.3843 176.5149 32 C 4.4265 8.3240 115.9746 60.0290 39.7908 176.2415 33 K 4.1171 8.0416 120.6557 58.5739 31.6980 178.6322 34 E 4.0997 7.8440 116.0845 57.8465 29.9345 178.3170 35 L 3.9597 7.0972 121.7345 56.8723 42.7448 176.8961 36 V 4.2209 6.6880 115.1259 59.6199 34.3426 173.0434 37 N 4.2936 8.2026 120.5843 55.2378 38.9079 175.0879 38 G 3.9209 8.9758 113.8558 45.1218 0.0000 172.9354 39 G 4.0021 7.7706 107.5070 46.4714 0.0000 173.0357 40 H 4.8961 8.8254 118.5134 54.0483 34.1608 172.7353 41 L 4.4496 8.7246 122.4282 55.2863 42.7061 176.4811 42 M 4.3943 9.1016 125.4446 56.0050 33.3534 175.1758 43 S 4.8788 8.7111 119.3365 56.3970 65.3532 173.7331 44 V 4.3321 8.1927 122.5262 61.8408 31.9668 174.6745 45 N 5.0044 9.0555 124.4365 52.8836 39.3233 175.5235 46 S 4.6711 7.5330 111.8322 56.3599 66.5954 176.0298 47 R 3.9518 8.4587 123.0908 59.7948 29.8549 178.7269 48 E 4.0632 8.2132 117.9654 59.3402 29.5332 178.7680 49 E 4.0773 8.4368 119.3067 59.1065 29.7322 178.9801 50 G 3.7627 8.2059 105.8431 48.0821 0.0000 175.4888 51 E 3.9795 8.3438 121.2989 58.7907 29.3275 179.1513 52 F 3.7924 8.0153 120.7258 61.3228 39.2950 177.1150 53 I 3.2727 7.5611 118.1111 63.8827 37.6427 177.9770 54 S 3.9715 7.9083 116.1219 61.5231 62.7805 176.8354 55 K 3.8162 7.7469 121.1114 59.0839 31.4658 179.2568 56 L 3.6294 7.2285 120.1098 57.9968 42.0059 178.9488 57 A 3.8136 7.8267 120.8446 55.1366 18.1975 179.0919 58 L 3.8853 7.9894 119.2578 58.1687 42.0365 178.9507 59 E 3.9054 7.9025 117.9608 59.0756 29.7272 178.7460 60 K 4.1668 7.5121 116.7756 58.0533 32.4962 177.3592 61 M 4.5310 7.4161 113.9523 53.6950 34.0046 174.9950 62 R 3.8260 7.9259 117.1040 57.5842 28.1660 176.4440 63 I 4.3654 7.8598 117.2771 59.6965 39.7875 176.6156 64 V 3.7794 8.0999 117.5121 61.8682 33.5268 175.8212 65 L 5.0309 7.5140 118.8795 52.7853 44.6345 176.6882 66 V 4.6037 8.1838 115.4188 59.0623 35.8412 175.1020 67 W 5.0862 8.8894 124.0584 56.9202 30.0782 175.3992 68 I 4.8320 8.6971 116.5458 58.0537 40.3525 176.3448 69 G 4.0818 8.8658 112.3066 45.8480 0.0000 173.7557 70 L 4.8567 7.9108 120.7422 53.0899 45.2672 175.1724 71 S 4.9691 8.7273 118.2893 58.8512 65.2110 172.9689 72 H 4.7284 7.6778 118.4937 54.9883 31.5953 172.0616 73 F 4.7064 8.5315 117.1746 55.2214 41.6644 177.0971 74 W 4.5297 8.6982 121.2595 59.8869 29.2010 178.4432 75 R 3.9917 8.4149 117.8631 58.8192 29.3738 176.6579 76 I 4.3993 7.8353 108.9294 60.4890 37.8028 174.7775 77 C 4.8641 8.1245 118.9355 57.7370 30.3087 173.2621 78 P 4.6071 0.0000 0.0000 62.3833 28.8833 174.8546 79 L 4.2301 7.5724 122.4748 54.7728 42.8830 176.9319 80 R 4.5951 7.9884 121.4712 53.9250 34.0238 174.9771 81 W 4.6697 8.3726 120.7134 56.1506 30.0848 177.7396 82 T 4.0000 8.9200 116.8619 64.4869 66.9799 174.2815 83 D 4.6967 8.3557 118.7788 52.8718 39.7399 177.2422 84 G 3.9910 8.4131 109.1572 45.5908 0.0000 174.3011 85 A 4.1724 7.8153 121.9262 52.4608 18.9018 177.3604 86 R 4.3532 8.2986 118.4973 55.6316 31.0378 177.4606 87 L 4.5836 8.3258 123.5894 54.5399 40.0423 175.6736 88 D 4.5812 7.8579 123.4675 55.5885 41.9310 176.2007 89 Y 4.3502 7.9172 123.7717 57.5887 40.1255 175.6132 90 R 4.5059 7.3583 121.2563 54.4949 32.5830 174.7563 91 A 4.5806 8.2258 122.8557 51.8433 19.6499 175.9431 92 L 4.6042 7.4631 119.0188 53.7962 44.0631 177.0116 93 S 4.2696 8.5626 115.7268 58.8199 62.8139 173.5131 94 D 4.9491 8.6804 125.4669 53.1080 39.5670 175.5759 95 E 4.4575 7.8952 120.5556 54.5676 30.7116 174.0676 96 P 3.6432 0.0000 0.0000 62.5017 32.5916 175.1076 97 I 4.1309 7.7945 121.2780 59.5687 39.6646 174.4145 98 C 5.0448 8.1799 122.7909 54.9496 39.6546 172.8845 99 F 5.6041 8.7075 118.5271 55.9984 42.3528 174.8382 100 V 5.0476 8.8997 114.3502 59.6974 35.6782 174.2629 101 A 5.4281 8.9174 124.7866 50.2242 21.9471 175.2178 102 E 4.8837 8.8116 120.1057 54.8177 31.1728 177.5136 103 S 3.9950 8.8862 120.5608 61.5729 62.9428 176.3065 104 F 4.4436 7.9475 117.7946 60.5589 38.7925 175.9422 105 H 4.8208 8.7263 113.2256 54.8063 29.4086 173.9895 106 N 4.4159 8.2536 115.1715 54.0820 36.7969 174.4223 107 K 4.3169 8.5050 117.9933 55.9540 33.8312 175.7525 108 W 5.7264 8.5152 122.0199 55.4395 31.0769 175.6394 109 I 4.9073 9.0160 125.0969 59.2747 40.0785 175.2086 110 Q 3.8702 8.8413 125.2410 55.9784 29.1662 175.5415 111 W 4.9945 9.1813 132.0870 55.8489 35.0390 174.1807 112 T 4.0675 8.1765 122.3049 63.7260 68.6770 176.4119 113 C 4.2247 8.8810 124.2817 59.8344 40.4252 174.7648 114 N 4.7122 8.1188 114.2726 53.2358 37.4289 174.9863 115 R 4.5937 8.0610 119.4318 56.0610 32.2745 175.0883 116 K 5.2274 8.6015 119.6238 55.1301 33.8622 176.2767 117 K 4.4924 9.1365 122.7924 54.6740 37.2413 175.9876 118 S 4.8730 8.3156 118.2664 58.8869 64.7125 172.6268 119 F 5.1732 8.2111 115.2480 56.2205 41.9078 173.0984 120 V 4.8856 8.3838 115.0871 61.4918 34.3264 173.6558 121 C 5.5724 9.3543 125.1945 55.8364 37.2288 172.6672 122 K 5.8662 9.5260 122.1146 54.6286 35.8436 174.4789 123 Y 5.1733 7.9817 122.4453 55.6091 41.6401 173.3837 124 R 4.3225 8.6058 121.6115 55.3960 31.3399 176.4839 125 V 3.9263 7.9439 118.6025 61.7273 31.1203 176.0593 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 3 G 8.35 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 4 C 8.01 4.46 0.00 3.15 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 5 L 8.84 4.40 0.00 1.53 1.64 0.63 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.43 0.00 2.14 2.09 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 7 D 9.00 4.61 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 8 W 8.03 4.84 0.00 3.38 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 9 S 9.74 4.95 0.00 3.98 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 S 8.61 5.45 0.00 3.94 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 11 Y 9.20 4.13 0.00 1.65 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.17 3.49 0.00 1.47 1.58 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.60 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.93 0.21 7.81 13 G 7.87 3.86 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 0.00 0.00 0.00 14 H 8.16 5.13 0.00 3.28 2.82 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.57 5.62 0.00 1.23 2.65 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 16 Y 9.77 5.68 0.00 2.94 2.93 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 17 K 8.69 4.25 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.57 7.81 18 V 8.00 4.22 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 0.69 0.00 0.00 0.77 0.00 0.00 19 F 8.77 4.27 0.00 1.51 2.18 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 20 K 8.65 3.79 0.00 1.58 1.73 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.33 7.81 21 V 7.67 3.64 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 0.61 0.00 0.00 0.91 0.00 0.00 22 E 8.77 4.74 0.00 1.90 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 0.00 2.23 2.47 0.00 23 K 9.05 4.92 0.00 1.53 1.54 0.00 1.18 0.00 0.00 1.49 0.00 0.00 2.54 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.31 1.44 7.81 24 T 8.34 5.45 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 1.31 0.00 0.00 25 W 7.98 2.54 0.00 1.78 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 26 A 7.99 3.83 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 27 D 7.82 4.17 0.00 2.77 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 28 A 7.58 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.29 3.46 0.00 1.16 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 1.93 2.11 0.00 30 K 7.68 3.80 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.53 7.81 31 F 8.22 3.93 0.00 2.99 2.90 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 32 C 8.32 4.43 0.00 3.17 3.30 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 33 K 8.04 4.12 0.00 1.79 1.76 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.21 7.81 34 E 7.84 4.10 0.00 2.00 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 0.00 2.09 2.17 0.00 35 L 7.10 3.96 0.00 1.41 1.90 0.88 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 V 6.69 4.22 1.69 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 0.22 0.00 0.00 0.03 0.00 0.00 37 N 8.20 4.29 0.00 2.55 2.61 0.00 0.00 7.20 7.98 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 38 G 8.98 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 0.00 0.00 0.00 39 G 7.77 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 40 H 8.83 4.90 0.00 3.13 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.72 4.45 0.00 1.72 1.60 0.81 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 42 M 9.10 4.39 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 43 S 8.71 4.88 0.00 4.01 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 44 V 8.19 4.33 2.35 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 1.19 0.00 0.00 0.94 0.00 0.00 45 N 9.06 5.00 0.00 2.81 2.88 0.00 0.00 6.88 7.09 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 46 S 7.53 4.67 0.00 4.17 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 47 R 8.46 3.95 0.00 1.92 2.00 0.00 3.19 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 48 E 8.21 4.06 0.00 2.24 2.18 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 2.48 2.50 0.00 49 E 8.44 4.08 0.00 2.29 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 2.45 2.54 0.00 50 G 8.21 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 51 E 8.34 3.98 0.00 2.18 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 2.60 0.00 52 F 8.02 3.79 0.00 2.30 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 53 I 7.56 3.27 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.95 0.00 0.00 54 S 7.91 3.97 0.00 3.98 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 55 K 7.75 3.82 0.00 1.86 1.66 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 L 7.23 3.63 0.00 1.18 1.42 0.69 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.83 3.81 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 58 L 7.99 3.89 0.00 1.54 1.59 0.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.90 3.91 0.00 2.05 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 2.31 0.00 60 K 7.51 4.17 0.00 1.78 1.75 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 61 M 7.42 4.53 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 62 R 7.93 3.83 0.00 1.86 1.93 0.00 3.07 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 63 I 7.86 4.37 1.81 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 1.16 0.66 0.74 0.00 0.00 64 V 8.10 3.78 1.70 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 0.64 0.00 0.00 0.80 0.00 0.00 65 L 7.51 5.03 0.00 1.02 0.98 0.32 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.18 4.60 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 0.64 0.00 0.00 0.95 0.00 0.00 67 W 8.89 5.09 0.00 3.34 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 68 I 8.70 4.83 1.70 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 1.33 0.64 0.84 0.00 0.00 69 G 8.87 4.08 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 0.00 0.00 0.00 70 L 7.91 4.86 0.00 1.62 1.50 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.73 4.97 0.00 2.72 2.64 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 72 H 7.68 4.73 0.00 3.18 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.53 4.71 0.00 2.93 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 74 W 8.70 4.53 0.00 3.43 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 75 R 8.41 3.99 0.00 1.82 2.03 0.00 3.13 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 76 I 7.84 4.40 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.93 0.00 0.00 77 C 8.12 4.86 0.00 3.30 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 78 P 0.00 4.61 0.00 2.18 2.11 0.00 3.81 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 2.01 2.01 0.00 79 L 7.57 4.23 0.00 1.48 1.35 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.99 4.60 0.00 1.71 1.78 0.00 3.37 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 81 W 8.37 4.67 0.00 3.58 3.17 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 82 T 8.92 4.00 4.36 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 1.29 0.00 0.00 83 D 8.36 4.70 0.00 2.81 2.74 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 84 G 8.41 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 85 A 7.82 4.17 1.21 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 0.00 0.00 86 R 8.30 4.35 0.00 1.89 1.95 0.00 3.42 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 87 L 8.33 4.58 0.00 1.49 1.61 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.86 4.58 0.00 2.83 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 89 Y 7.92 4.35 0.00 2.96 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 90 R 7.36 4.51 0.00 1.75 1.72 0.00 3.16 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.00 91 A 8.23 4.58 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 92 L 7.46 4.60 0.00 1.61 1.51 0.58 0.58 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 93 S 8.56 4.27 0.00 3.90 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 94 D 8.68 4.95 0.00 2.88 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 95 E 7.90 4.46 0.00 1.94 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 2.23 2.19 0.00 96 P 0.00 3.64 0.00 1.20 0.49 0.00 3.57 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 97 I 7.79 4.13 1.03 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.04 0.37 0.00 0.00 98 C 8.18 5.04 0.00 2.83 2.46 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 99 F 8.71 5.60 0.00 3.01 3.02 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 0.00 0.00 0.00 0.00 100 V 8.90 5.05 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 -0.14 0.00 0.00 0.82 0.00 0.00 101 A 8.92 5.43 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 0.00 102 E 8.81 4.88 0.00 2.10 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 0.00 2.34 2.67 0.00 103 S 8.89 4.00 0.00 3.17 3.67 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 0.00 104 F 7.95 4.44 0.00 3.19 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 0.00 105 H 8.73 4.82 0.00 3.42 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.25 4.42 0.00 2.96 3.01 0.00 0.00 6.94 7.63 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 0.00 107 K 8.50 4.32 0.00 1.86 1.77 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.66 1.60 7.81 108 W 8.52 5.73 0.00 3.34 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 0.00 109 I 9.02 4.91 2.17 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 1.42 0.94 1.14 0.00 0.00 110 Q 8.84 3.87 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 1.63 2.10 0.00 111 W 9.18 4.99 0.00 3.38 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 0.00 112 T 8.18 4.07 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 1.23 0.00 0.00 113 C 8.88 4.22 0.00 2.84 2.93 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 0.00 114 N 8.12 4.71 0.00 2.88 2.94 0.00 0.00 6.04 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 0.00 115 R 8.06 4.59 0.00 2.19 2.20 0.00 3.42 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 116 K 8.60 5.23 0.00 1.69 1.79 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.53 7.81 117 K 9.14 4.49 0.00 0.79 0.74 0.00 1.22 0.00 0.00 0.89 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.78 7.81 118 S 8.32 4.87 0.00 3.77 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 0.00 119 F 8.21 5.17 0.00 3.20 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 0.00 120 V 8.38 4.89 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 1.22 0.00 0.00 0.93 0.00 0.00 121 C 9.35 5.57 0.00 3.28 3.43 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 0.00 122 K 9.53 5.87 0.00 1.73 1.63 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.58 7.81 123 Y 7.98 5.17 0.00 2.92 2.90 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 0.00 124 R 8.61 4.32 0.00 1.82 1.87 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 125 V 7.94 3.93 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 0.53 0.00 0.00 0.93 0.00 0.00