NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4143 8.3344 115.4159 57.5527 64.3510 173.1319 4 L 3.8781 8.4224 125.4875 53.8159 42.5363 174.4017 5 P 4.3435 0.0000 0.0000 63.3618 33.0382 177.6912 6 K 4.0224 8.7820 126.8320 59.8880 31.5302 177.9207 7 R 4.1300 8.0333 118.8760 59.6499 30.0167 178.6045 8 I 3.8299 7.7034 119.7416 64.3107 37.0776 178.5013 9 I 3.7757 7.7507 120.2559 64.3727 37.1260 178.4858 10 K 4.0387 8.3037 119.4212 59.5357 31.8965 179.3730 11 E 4.0504 8.5282 119.0548 59.6110 29.3635 179.5299 12 T 4.0413 8.1654 115.8745 66.6314 68.4723 176.2574 13 E 3.9717 8.3700 121.2192 59.4057 29.6531 179.1118 14 K 4.0175 8.0266 117.9635 59.3480 31.8343 179.4084 15 L 4.0394 7.8148 118.7109 57.6330 41.6154 179.3216 16 V 4.0161 7.7520 111.2705 63.0923 31.8655 178.4903 17 S 4.5002 8.2558 114.1843 59.8426 64.5454 174.6013 18 D 4.8441 7.6662 122.7323 49.5253 38.7450 173.2934 19 P 4.4138 0.0000 0.0000 63.1037 32.7032 177.4665 20 V 3.7994 8.0961 119.5773 61.8386 32.2344 173.7582 21 P 4.4490 0.0000 0.0000 64.1739 31.6290 177.0538 22 G 4.0656 9.3365 111.1804 45.0826 0.0000 172.4507 23 I 5.1561 7.4597 119.2900 59.7360 40.6949 175.1456 24 T 4.8241 8.9779 121.3857 61.7579 72.4261 172.9411 25 A 5.2463 8.6420 126.4226 50.3031 22.1795 175.1096 26 E 4.7258 9.3011 120.4137 53.7263 33.2177 173.4206 27 P 3.7775 0.0000 0.0000 62.9741 32.0182 175.2851 28 H 4.2078 9.4704 126.7332 56.5159 29.9471 175.5508 29 D 4.1520 8.4688 127.2387 54.2694 38.9753 173.3497 30 D 4.3986 8.7520 117.9208 56.6749 41.7101 176.5116 31 N 4.6359 9.8028 119.4321 51.5374 37.8394 180.8403 32 L 4.2594 8.5316 124.6837 54.8268 42.4769 176.8697 33 R 4.4775 7.8887 115.7363 57.2115 31.7690 175.0093 34 Y 5.2779 7.8131 116.7985 56.2346 40.8530 174.7336 35 F 5.2547 9.9777 125.7606 56.3153 43.1945 174.8365 36 Q 5.0903 8.9533 122.1029 53.9956 30.7382 174.9844 37 V 5.1632 9.0405 124.4497 60.2845 35.0465 174.2874 38 T 5.2441 8.9166 116.7643 60.0197 72.1829 172.8236 39 I 5.0700 8.6541 123.7644 59.5112 41.0194 174.7289 40 E 4.5416 9.2752 127.7207 55.9823 30.1225 177.3170 41 G 4.6011 9.2330 112.0629 45.2503 0.0000 171.9071 42 P 4.5604 0.0000 0.0000 62.3422 32.1134 175.9029 43 E 4.0996 8.6034 121.5456 57.9200 29.9189 176.7938 44 Q 3.7299 9.4894 120.7505 56.7734 26.9816 173.2866 45 S 4.9039 7.4919 110.5823 55.5704 65.9385 173.0884 46 P 4.2780 0.0000 0.0000 64.7609 31.2854 177.5012 47 Y 5.0316 7.6749 115.0014 56.8280 38.2094 177.0728 48 E 4.3522 8.0654 119.0058 59.2936 29.4974 177.7534 49 D 4.6407 8.2776 116.8002 54.7093 41.5717 175.2619 50 G 4.3054 7.9989 106.0134 44.2932 0.0000 171.5053 51 I 5.0870 8.6358 120.1657 59.3807 40.3345 175.1083 52 F 5.0097 9.5578 125.5034 55.8409 41.7474 174.4168 53 E 5.2508 9.5545 122.5499 54.8007 31.9764 175.1182 54 L 5.2206 9.2265 122.9831 52.8355 46.6001 175.0343 55 E 5.1817 9.0344 119.6118 54.6262 32.4969 174.6041 56 L 5.2956 8.8792 123.7535 53.5365 45.9187 174.2325 57 Y 5.1603 9.1944 126.8820 55.7494 42.1327 173.9428 58 L 4.3130 7.9438 127.2631 52.0942 42.6066 175.0552 59 P 3.8795 0.0000 0.0000 61.7966 32.1979 176.9236 60 D 4.3147 8.6328 118.8144 57.6434 40.8252 177.6599 61 D 4.6475 7.9403 116.1629 54.2082 41.3402 175.5434 62 Y 4.3737 7.6969 121.5313 57.5318 39.0730 174.0885 63 P 3.4025 0.0000 0.0000 62.9336 31.5639 176.8467 64 M 4.2809 8.1233 119.8564 57.0641 32.2528 175.9398 65 E 4.5914 7.7972 118.2140 53.7247 32.0929 175.1962 66 A 2.5800 7.7192 127.1031 50.4090 19.1908 175.6635 67 P 4.2073 0.0000 0.0000 62.4843 32.5584 175.9263 68 K 4.6411 8.8725 122.1372 54.8925 34.0199 176.0927 69 V 4.9861 8.1682 123.3030 60.2135 34.6911 174.7117 70 R 4.8984 8.6606 121.7925 55.0567 33.9794 173.8635 71 F 4.4968 9.1344 125.3778 57.7458 39.0207 175.6110 72 L 4.3774 9.0781 124.1490 57.4228 42.5290 178.2220 73 T 4.1122 8.0642 115.3111 62.9033 69.0336 174.0816 74 K 4.1284 8.5193 127.9367 56.2769 32.7813 175.7922 75 I 4.9899 8.2244 124.8858 59.5910 41.0512 173.8405 76 Y 4.1858 8.8900 128.1235 56.7350 38.0577 173.9494 77 H 4.5066 7.7124 125.6512 54.0041 32.9391 172.7105 78 P 4.3842 0.0000 0.0000 64.8400 31.6365 177.2258 79 N 4.9975 8.1150 115.1832 52.6136 39.1060 173.3908 80 I 4.7597 7.1769 118.3736 59.2174 39.8042 175.5039 81 D 4.6412 8.7770 128.1994 52.9373 40.5092 177.9082 82 R 4.0913 8.4803 116.5201 58.4058 29.3511 173.9587 83 L 4.5191 8.5455 115.0457 54.9447 42.0161 177.2866 84 G 4.0148 8.4505 107.5029 45.8343 0.0000 173.7020 85 R 4.4771 8.0042 118.7418 55.5280 31.0181 175.1368 86 I 4.4824 8.1958 122.7116 60.2025 38.7050 175.3060 87 C 4.4907 8.6158 128.6786 58.2179 31.1087 172.2213 88 L 4.7475 7.9574 124.4982 52.0767 45.5513 177.3228 89 D 4.3829 8.9927 123.1870 57.2650 40.6691 179.2857 90 V 3.7780 7.8710 118.4912 64.3800 31.3162 177.3754 91 L 4.4453 7.6098 117.5387 53.0988 42.4671 176.9547 92 K 4.3159 8.7037 117.1321 56.6182 32.2458 178.9005 93 T 4.0449 9.2814 119.3794 64.9751 69.4884 175.4095 94 N 4.7131 8.0802 117.2212 52.6845 38.8950 174.9030 95 W 4.2530 7.5915 128.3910 57.4918 31.5299 175.2493 96 S 4.2838 5.9323 115.5229 56.4553 64.6386 173.9852 97 P 4.0991 0.0000 0.0000 64.7884 31.1817 177.6790 98 A 3.9498 7.0789 120.5516 54.0993 18.5036 177.8966 99 L 4.2037 6.8888 115.5134 54.0524 42.9370 175.6546 100 Q 4.9449 8.3492 118.1335 53.4246 32.8626 176.9095 101 I 3.7292 8.9503 120.3325 64.9226 36.9421 178.6189 102 R 3.8878 8.0684 118.7071 59.8175 29.8874 178.2931 103 T 3.8531 7.7293 114.9252 66.7436 68.5141 176.7009 104 V 3.6494 7.8174 119.4067 66.0442 31.6503 177.8564 105 L 3.9735 7.9788 118.7240 57.7379 41.4443 179.4592 106 L 3.9884 8.1562 119.0544 58.0528 41.5920 179.8381 107 S 4.1809 8.0490 114.7837 61.5146 62.8324 176.8938 108 I 3.7339 7.9123 122.6494 64.3411 36.3369 178.1443 109 Q 3.9570 8.2950 120.3182 59.2196 28.8450 178.3315 110 A 4.0276 8.1126 121.7885 54.9882 18.1764 179.2772 111 L 3.8885 7.8208 118.0452 58.3017 42.1598 178.9229 112 L 3.8585 7.5711 117.5909 57.5893 41.6076 178.9630 113 A 4.3810 7.4995 118.4339 53.4009 19.8638 177.6142 114 S 4.5826 7.6620 111.0776 55.3281 62.3089 171.6006 115 P 4.0293 0.0000 0.0000 62.8065 31.8310 176.9513 116 N 4.7110 7.9892 119.2032 50.6807 38.8811 172.6989 117 P 4.2192 0.0000 0.0000 64.6450 31.8088 177.7634 118 N 4.5473 7.7095 114.7192 53.7793 39.0935 174.9399 119 D 4.4177 7.7429 120.0221 53.2902 41.7175 175.3468 120 P 4.2855 0.0000 0.0000 65.2813 31.3303 176.8444 121 L 4.4129 7.9841 116.9525 54.1326 41.7967 176.5845 122 A 4.1938 7.6778 122.6615 52.0410 19.0741 178.5235 123 N 4.7025 8.5451 118.4835 52.0782 39.1696 175.2729 124 D 4.5768 8.4911 116.3275 55.4350 39.8890 177.1570 125 V 3.8620 8.1388 113.3074 62.4410 32.5161 177.7766 126 A 4.0079 7.8846 122.6772 55.5259 18.0347 179.4364 127 E 4.0333 8.3560 118.7019 60.3110 29.4682 179.9161 128 D 4.3776 8.0956 120.6331 58.2236 39.7897 180.2565 129 W 3.8815 8.2244 128.9329 59.8074 30.6679 177.8019 130 I 4.1106 7.5092 118.6665 63.8350 37.1182 177.8172 131 K 4.3089 8.1111 116.9709 57.1690 33.4492 176.5432 132 N 5.0118 8.4009 118.2454 50.9281 39.2162 174.8609 133 E 3.6355 8.1964 120.2679 60.0242 29.7698 178.8108 134 Q 3.9444 7.9541 118.3333 58.5343 28.8134 178.8462 135 G 3.4605 7.8734 106.1111 47.4320 0.0000 175.5430 136 A 3.8750 7.8339 123.1550 54.9516 18.4011 179.9410 137 K 3.4349 7.6822 117.0587 59.2172 31.9539 179.5216 138 A 3.8949 7.7217 121.1898 54.9466 18.2219 179.6068 139 K 3.7060 7.9793 117.9816 59.4428 32.2669 178.9203 140 A 4.1207 7.9165 121.1776 55.1176 18.2716 179.6481 141 R 4.1919 8.0441 118.7092 58.9251 30.0773 178.3322 142 E 4.0060 8.4302 119.2852 59.2656 29.6102 178.9426 143 W 4.3879 8.8581 119.1079 59.9091 28.6126 178.8195 144 T 4.1597 8.1695 115.6810 66.5240 67.7511 176.5261 145 K 3.9592 8.0320 120.2505 59.6707 32.2887 178.5131 146 L 3.8678 8.0206 118.1064 57.2108 41.5590 178.1053 147 Y 4.6027 8.0677 114.3975 57.6058 39.6561 176.1163 148 A 4.2794 7.3265 120.6323 50.9068 19.9635 177.5992 149 K 4.1959 8.3799 120.8681 56.5952 33.6930 178.5393 150 K 4.2671 8.4461 125.1547 55.5780 31.4428 177.0090 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 S 8.33 4.41 0.00 4.01 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 4 L 8.42 3.88 0.00 1.73 1.65 0.96 0.69 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 5 P 0.00 4.34 0.00 2.28 2.01 0.00 3.70 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 2.17 2.13 0.00 6 K 8.78 4.02 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 7 R 8.03 4.13 0.00 1.90 2.03 0.00 3.15 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 8 I 7.70 3.83 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 0.97 0.00 0.00 9 I 7.75 3.78 2.06 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 1.67 0.92 0.94 0.00 0.00 10 K 8.30 4.04 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 11 E 8.53 4.05 0.00 2.06 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 2.39 2.64 0.00 12 T 8.17 4.04 4.47 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 1.36 0.00 0.00 13 E 8.37 3.97 0.00 2.19 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 0.00 2.33 2.52 0.00 14 K 8.03 4.02 0.00 1.99 1.86 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.64 7.81 15 L 7.81 4.04 0.00 1.89 1.79 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.75 4.02 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 0.94 0.00 0.00 1.04 0.00 0.00 17 S 8.26 4.50 0.00 4.02 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 18 D 7.67 4.84 0.00 2.78 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 19 P 0.00 4.41 0.00 2.34 2.22 0.00 3.83 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 20 V 8.10 3.80 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 1.00 0.00 0.00 0.94 0.00 0.00 21 P 0.00 4.45 0.00 2.10 2.00 0.00 3.76 0.00 0.00 3.67 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 22 G 9.34 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 23 I 7.46 5.16 1.88 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 1.24 0.74 0.97 0.00 0.00 24 T 8.98 4.82 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 1.25 0.00 0.00 25 A 8.64 5.25 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 26 E 9.30 4.73 0.00 2.00 2.03 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 2.37 2.26 0.00 27 P 0.00 3.78 0.00 1.72 1.56 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.46 0.00 28 H 9.47 4.21 0.00 3.15 3.25 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.47 4.15 0.00 2.92 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 30 D 8.75 4.40 0.00 2.68 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 31 N 9.80 4.64 0.00 2.47 2.71 0.00 0.00 6.52 6.55 0.00 0.00 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 L 8.53 4.26 0.00 1.57 1.72 0.83 1.02 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 33 R 7.89 4.48 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 34 Y 7.81 5.28 0.00 3.02 2.83 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 35 F 9.98 5.25 0.00 2.87 2.95 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 36 Q 8.95 5.09 0.00 1.73 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 37 V 9.04 5.16 2.03 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 0.74 0.00 0.00 0.94 0.00 0.00 38 T 8.92 5.24 4.30 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 1.24 0.00 0.00 39 I 8.65 5.07 1.95 0.00 0.00 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 1.23 0.76 0.96 0.00 0.00 40 E 9.28 4.54 0.00 1.94 1.99 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 2.42 2.46 0.00 41 G 9.23 4.60 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 0.00 0.00 0.00 42 P 0.00 4.56 0.00 2.30 2.06 0.00 3.79 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 2.27 2.17 0.00 43 E 8.60 4.10 0.00 2.00 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 2.38 2.33 0.00 44 Q 9.49 3.73 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 45 S 7.49 4.90 0.00 4.18 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 46 P 0.00 4.28 0.00 1.52 2.09 0.00 3.28 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 47 Y 7.67 5.03 0.00 3.09 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 48 E 8.07 4.35 0.00 2.20 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 0.00 2.45 2.36 0.00 49 D 8.28 4.64 0.00 2.76 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 50 G 8.00 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.64 5.09 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.54 0.97 0.00 0.00 52 F 9.56 5.01 0.00 3.23 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 53 E 9.55 5.25 0.00 1.90 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 2.27 2.29 0.00 54 L 9.23 5.22 0.00 1.34 1.32 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.03 5.18 0.00 2.07 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 2.37 2.25 0.00 56 L 8.88 5.30 0.00 1.65 1.49 0.70 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.19 5.16 0.00 2.78 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 58 L 7.94 4.31 0.00 1.12 1.02 0.60 0.07 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 59 P 0.00 3.88 0.00 2.10 2.02 0.00 3.32 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 60 D 8.63 4.31 0.00 2.70 2.81 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 0.00 0.00 0.00 61 D 7.94 4.65 0.00 2.69 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 62 Y 7.70 4.37 0.00 2.79 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 63 P 0.00 3.40 0.00 1.93 1.35 0.00 3.70 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 64 M 8.12 4.28 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 65 E 7.80 4.59 0.00 1.85 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 0.00 2.16 2.17 0.00 66 A 7.72 2.58 0.68 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 0.00 0.00 67 P 0.00 4.21 0.00 1.65 1.60 0.00 2.85 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 68 K 8.87 4.64 0.00 1.70 1.74 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.62 7.81 69 V 8.17 4.99 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 0.65 0.00 0.00 0.85 0.00 0.00 70 R 8.66 4.90 0.00 1.91 1.77 0.00 3.28 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 71 F 9.13 4.50 0.00 2.95 3.25 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 0.00 72 L 9.08 4.38 0.00 1.63 1.77 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.06 4.11 4.67 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 1.28 0.00 0.00 74 K 8.52 4.13 0.00 1.24 0.74 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.65 1.27 7.81 75 I 8.22 4.99 1.99 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.51 0.00 0.00 76 Y 8.89 4.19 0.00 1.87 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 77 H 7.71 4.51 0.00 3.01 2.75 0.00 5.92 0.00 0.00 0.00 0.00 6.63 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 4.38 0.00 1.98 1.96 0.00 2.47 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.00 79 N 8.11 5.00 0.00 2.67 2.74 0.00 0.00 6.92 7.48 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 80 I 7.18 4.76 1.53 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.24 0.62 0.00 0.00 81 D 8.78 4.64 0.00 2.90 2.81 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 0.00 0.00 0.00 82 R 8.48 4.09 0.00 1.85 1.89 0.00 3.24 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 83 L 8.55 4.52 0.00 1.74 1.73 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.45 4.01 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 0.00 0.00 0.00 85 R 8.00 4.48 0.00 2.28 1.87 0.00 3.13 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 86 I 8.20 4.48 1.91 0.00 0.00 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 1.48 0.71 0.93 0.00 0.00 87 C 8.62 4.49 0.00 2.97 2.83 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 88 L 7.96 4.75 0.00 1.59 1.49 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.99 4.38 0.00 2.70 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 90 V 7.87 3.78 2.13 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 0.88 0.00 0.00 1.02 0.00 0.00 91 L 7.61 4.45 0.00 1.78 1.74 0.92 0.75 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 92 K 8.70 4.32 0.00 1.82 1.30 0.00 1.56 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 93 T 9.28 4.04 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 94 N 8.08 4.71 0.00 2.81 2.88 0.00 0.00 6.86 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 95 W 7.59 4.25 0.00 3.76 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 96 S 5.93 4.28 0.00 3.77 3.64 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 97 P 0.00 4.10 0.00 1.93 2.05 0.00 3.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.24 0.00 98 A 7.08 3.95 1.10 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 99 L 6.89 4.20 0.00 0.33 1.23 0.61 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.35 4.94 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 101 I 8.95 3.73 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.64 0.00 0.00 102 R 8.07 3.89 0.00 1.87 1.95 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 103 T 7.73 3.85 4.39 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 1.20 0.00 0.00 104 V 7.82 3.65 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 1.06 0.00 0.00 1.17 0.00 0.00 105 L 7.98 3.97 0.00 1.85 1.67 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.16 3.99 0.00 1.86 1.72 0.92 0.92 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 0.00 107 S 8.05 4.18 0.00 4.06 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 0.00 108 I 7.91 3.73 1.97 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 1.43 1.26 0.94 0.00 0.00 109 Q 8.29 3.96 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 110 A 8.11 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.82 3.89 0.00 1.73 1.86 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.57 3.86 0.00 1.79 1.50 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.50 4.38 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 0.00 114 S 7.66 4.58 0.00 3.80 3.71 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 0.00 0.00 0.00 0.00 115 P 0.00 4.03 0.00 1.10 1.09 0.00 3.88 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 1.78 1.75 0.00 116 N 7.99 4.71 0.00 2.69 2.60 0.00 0.00 6.90 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 0.00 117 P 0.00 4.22 0.00 2.22 2.04 0.00 3.69 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 118 N 7.71 4.55 0.00 2.88 2.88 0.00 0.00 6.92 7.73 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 0.00 119 D 7.74 4.42 0.00 2.68 2.48 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 0.00 120 P 0.00 4.29 0.00 2.20 2.16 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 121 L 7.98 4.41 0.00 1.78 1.70 0.91 0.55 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 0.00 122 A 7.68 4.19 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 0.00 123 N 8.55 4.70 0.00 2.92 2.96 0.00 0.00 6.85 8.63 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 0.00 124 D 8.49 4.58 0.00 2.80 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 0.00 125 V 8.14 3.86 1.65 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 0.48 0.00 0.00 0.66 0.00 0.00 126 A 7.88 4.01 1.42 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 0.00 0.00 127 E 8.36 4.03 0.00 2.01 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 2.41 2.34 0.00 128 D 8.10 4.38 0.00 2.68 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 0.00 129 W 8.22 3.88 0.00 3.57 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 0.00 130 I 7.51 4.11 1.92 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 1.60 0.96 0.94 0.00 0.00 131 K 8.11 4.31 0.00 1.72 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 132 N 8.40 5.01 0.00 2.69 2.71 0.00 0.00 6.74 8.39 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 0.00 133 E 8.20 3.64 0.00 2.01 2.28 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 2.30 2.32 0.00 134 Q 7.95 3.94 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 135 G 7.87 3.46 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 0.00 136 A 7.83 3.87 0.75 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 0.00 137 K 7.68 3.43 0.00 1.52 1.66 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.08 0.99 7.81 138 A 7.72 3.89 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 0.00 139 K 7.98 3.71 0.00 1.57 1.16 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 1.11 7.81 140 A 7.92 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.04 4.19 0.00 1.95 2.08 0.00 3.13 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 142 E 8.43 4.01 0.00 2.21 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 2.39 2.39 0.00 143 W 8.86 4.39 0.00 3.78 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 0.00 144 T 8.17 4.16 4.61 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 1.41 0.00 0.00 145 K 8.03 3.96 0.00 1.78 2.07 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 146 L 8.02 3.87 0.00 0.88 0.79 0.66 0.96 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 0.00 147 Y 8.07 4.60 0.00 3.13 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 0.00 148 A 7.33 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.38 4.20 0.00 1.71 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.53 7.81 150 K 8.45 4.27 0.00 1.54 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.01 7.81