NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.6873 8.2129 121.0025 56.8564 31.9190 174.5200 4 R 4.7919 9.8728 125.6570 54.5897 31.5130 171.0483 5 I 4.8403 8.5524 124.3623 58.5059 40.9982 174.2109 6 L 4.6021 8.7651 130.3564 54.5624 43.0434 175.8761 7 V 4.4196 9.0475 128.7937 61.7701 32.8076 174.9427 8 V 4.5964 8.4402 130.2916 61.6786 33.0292 174.2406 9 E 4.9656 8.8408 127.3311 55.6837 33.0338 175.6866 10 D 4.5994 8.9193 125.4749 53.8599 40.5610 176.7723 11 E 4.2619 8.7192 120.8913 55.0571 29.6860 176.6581 12 A 3.9998 8.5091 127.2250 54.8667 18.6876 177.2392 13 P 4.3581 0.0000 0.0000 65.6251 31.3115 178.9652 14 I 3.7411 7.7074 118.2561 64.3199 37.0615 177.9563 15 R 3.9028 8.2954 119.9339 59.8080 29.8101 178.3639 16 E 4.0028 8.3927 118.1363 59.4290 29.4460 178.9619 17 M 4.0945 8.0211 118.0256 58.7279 32.3522 178.3408 18 V 3.7375 8.1560 118.5454 66.4612 31.6576 177.7224 19 C 4.1758 8.5162 116.6961 62.6269 27.8139 175.9165 20 F 4.1654 8.5377 122.3216 61.3105 38.8390 176.9845 21 V 3.4376 7.7723 116.3892 66.2061 31.5708 177.6327 22 L 4.3346 8.0690 118.2337 57.9227 41.6339 179.1571 23 E 4.2613 8.4127 120.1887 59.0778 29.2933 179.6131 24 Q 4.0314 7.9335 115.9522 57.6020 28.6033 177.3651 25 N 4.8863 7.9308 116.8303 52.6409 39.6677 175.5692 26 G 3.6359 7.8848 107.6240 45.0196 0.0000 173.8437 27 F 4.9433 7.6827 120.2841 56.7366 42.4159 175.5321 28 Q 4.9204 9.0364 122.0225 53.2208 28.6634 173.6621 29 P 4.9840 0.0000 0.0000 62.1563 32.9973 176.0942 30 V 4.4947 8.9894 121.0066 61.2647 34.7543 173.9922 31 E 5.0523 8.8173 126.0616 55.0537 31.3485 175.2898 32 A 4.7812 8.9971 125.0767 50.2982 22.0186 176.4376 33 E 4.5453 9.1016 118.1971 55.6420 31.1098 174.8232 34 D 4.5208 7.3557 118.0596 51.6158 42.3129 175.1042 35 Y 3.8014 8.6911 119.2559 61.3017 38.5046 178.0601 36 D 4.4790 8.2630 119.1308 57.4559 41.0159 178.7670 37 S 4.0703 8.8665 115.9481 61.4193 62.7845 176.6404 38 A 3.7544 7.7973 123.3950 54.9695 17.8137 179.6196 39 V 3.6408 7.4310 115.3935 66.5862 31.6510 177.7599 40 N 4.4815 8.1628 114.7637 56.2529 38.4565 176.9220 41 Q 4.2730 8.5145 119.9984 57.2750 29.9139 176.6849 42 L 4.4068 7.5347 121.3566 54.4976 41.3781 174.5536 43 N 3.4195 7.5808 122.2523 52.0744 41.9302 172.9178 44 E 3.5314 7.4666 118.6113 54.9552 29.9817 175.1643 45 P 4.2479 0.0000 0.0000 61.9200 32.0045 176.4202 46 W 4.7035 8.7796 122.6816 55.4231 29.6502 174.1172 47 P 4.5929 0.0000 0.0000 62.7310 31.6392 176.3721 48 D 4.6190 8.7809 121.2039 57.2789 41.4839 176.2934 49 L 4.7117 7.7141 117.9857 53.8934 46.0258 173.9642 50 I 4.8727 8.5796 124.7980 59.4689 39.9976 174.1969 51 L 4.9091 8.8994 130.3970 53.2881 43.8703 174.7725 52 L 4.8764 8.6818 128.7555 53.0354 44.7583 175.3306 53 D 5.2918 8.9157 126.7605 53.9188 41.9093 175.8821 54 W 4.3447 8.9771 133.5191 60.3591 31.6646 176.0932 55 M 4.9279 8.2355 123.5782 54.5501 31.1278 175.7746 56 L 4.9013 8.1914 123.0289 51.8231 46.1654 174.6181 57 P 4.3119 0.0000 0.0000 64.2230 31.7132 177.7357 58 G 3.9562 8.3350 110.6538 44.9669 0.0000 172.1562 59 G 3.6074 6.6033 106.5900 43.5435 0.0000 174.1432 60 S 4.7896 8.1611 119.1247 57.6152 65.4089 175.7359 61 G 3.6564 8.8850 109.8859 47.7753 0.0000 176.1122 62 I 3.4301 7.0139 121.5820 64.5262 37.0658 178.2894 63 Q 4.0458 7.9367 118.3220 58.7400 28.4471 178.4859 64 F 4.0871 8.5106 121.8146 61.4758 39.3480 177.2253 65 I 3.5743 8.0500 119.4592 64.2910 36.8362 178.5478 66 K 3.8918 8.0292 119.3538 59.5642 31.6197 178.7742 67 H 3.9893 7.9848 117.5774 59.2330 29.6426 177.0064 68 L 3.9991 7.5669 122.0479 57.2338 41.2303 179.6558 69 K 4.0592 7.9451 117.0395 58.8216 32.0973 179.1149 70 R 4.1312 7.7990 118.4799 57.1087 30.1869 175.5395 71 E 4.3827 7.3366 119.5181 54.0067 29.9216 176.3806 72 S 4.1729 8.6630 122.1518 61.5396 62.9978 175.7380 73 M 4.0251 7.8714 119.6263 57.1658 31.6301 176.8358 74 T 4.1620 7.8792 107.3947 60.7361 70.1372 175.9365 75 R 4.0250 7.8284 118.1919 58.5407 29.6248 176.8203 76 D 4.6118 7.6616 116.4060 54.0201 41.4353 176.2304 77 I 3.8910 7.3802 122.2991 60.0312 37.6859 174.2161 78 P 4.7008 0.0000 0.0000 62.9484 32.8686 175.3377 79 V 4.9069 9.2488 121.3467 61.1864 35.0467 174.1313 80 V 4.8215 8.5572 127.3839 61.3292 33.9989 174.5326 81 M 4.6706 8.8973 128.2503 55.0389 33.8915 175.6582 82 L 4.9092 8.6529 124.0023 54.2496 45.2196 174.7460 83 T 4.9022 8.6034 119.8287 60.9706 70.8857 174.2038 84 A 4.0980 8.7291 128.3458 53.6640 18.8292 178.4712 85 R 4.0071 8.2417 115.8092 55.7430 28.5435 176.5071 86 G 4.0399 8.2048 110.6852 45.0918 0.0000 172.2504 87 E 4.0485 7.8294 120.1924 56.0838 30.4045 177.2114 88 E 3.8251 8.9914 122.6857 59.8008 29.4899 179.0103 89 E 3.9107 8.1453 118.4360 59.3790 29.5552 178.5015 90 D 4.5137 8.0174 118.8237 57.2422 40.9522 178.6202 91 R 2.0000 7.6166 118.0386 58.8459 29.9394 178.9661 92 V 3.5711 7.8583 120.1189 66.6849 31.6239 178.7873 93 R 4.0958 8.1956 120.4799 61.3599 29.3444 180.8174 94 G 3.9964 8.6490 107.0392 47.7230 0.0000 175.7004 95 L 4.2239 7.8849 122.1131 57.6822 41.4959 179.7133 96 E 4.0617 8.2994 117.0719 59.4709 29.3886 179.2074 97 T 4.1563 7.6387 114.8699 64.8358 68.6307 174.4249 98 G 3.5712 7.1134 114.4392 44.8813 0.0000 173.2991 99 A 4.1442 7.4044 125.1482 52.3683 18.8132 177.7387 100 D 4.6216 9.0456 122.8549 56.8918 41.7031 175.7466 101 D 4.7060 7.8590 116.2114 53.7397 45.2098 173.6875 102 Y 4.8881 8.4515 122.5253 56.6808 41.2863 173.6550 103 I 4.7970 8.9453 128.6061 59.6691 40.3739 174.9591 104 T 5.1502 8.5297 116.0183 60.2560 70.6962 174.3851 105 K 4.7104 8.7391 124.2562 55.2780 33.0624 175.4064 106 P 4.4974 0.0000 0.0000 62.4414 32.2056 175.3736 107 F 5.0359 7.6407 113.9602 54.5797 41.0253 174.6937 108 S 4.5445 8.5632 115.8611 56.8465 63.8573 173.2484 109 P 4.5245 0.0000 0.0000 65.9159 31.0904 178.8745 110 K 3.9950 8.0892 117.9545 59.4237 32.0073 178.7359 111 E 3.9927 8.3456 119.6371 58.8901 29.5155 178.4847 112 L 3.8587 8.3190 120.8113 58.2609 42.1197 179.1767 113 V 3.6428 7.8103 117.7464 65.9153 31.3880 177.7315 114 A 4.0319 8.2006 120.5151 55.3426 18.1772 179.8963 115 R 3.8780 8.2983 116.7378 59.3217 30.0564 179.3279 116 I 3.6204 7.8481 119.6053 64.4632 37.0593 178.7370 117 K 4.1246 8.5435 119.3847 59.1572 31.6002 179.2454 118 A 3.9856 8.0406 120.6375 55.1740 18.6822 179.4982 119 V 3.6824 7.9476 116.6850 66.6259 31.3239 178.1182 120 M 4.1206 8.4176 118.6123 58.5555 31.4956 179.0365 121 R 4.1223 8.0920 117.7161 58.8720 30.1817 178.0692 122 R 4.4766 7.5333 116.2413 56.0728 30.3627 176.5784 123 I 4.1694 7.3303 117.5803 61.0949 37.7569 174.9582 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 R 8.21 4.69 0.00 1.52 1.89 0.00 3.20 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 0.00 4 R 9.87 4.79 0.00 1.49 1.83 0.00 3.17 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 5 I 8.55 4.84 1.75 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.31 0.74 0.00 0.00 6 L 8.77 4.60 0.00 1.81 1.57 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.05 4.42 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 0.91 0.00 0.00 0.88 0.00 0.00 8 V 8.44 4.60 1.84 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 0.63 0.00 0.00 0.60 0.00 0.00 9 E 8.84 4.97 0.00 2.05 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 2.24 2.39 0.00 10 D 8.92 4.60 0.00 2.83 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 11 E 8.72 4.26 0.00 2.18 1.97 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 2.32 2.33 0.00 12 A 8.51 4.00 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 13 P 0.00 4.36 0.00 2.17 2.11 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 14 I 7.71 3.74 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 1.03 0.00 0.00 15 R 8.30 3.90 0.00 1.85 2.11 0.00 3.08 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 16 E 8.39 4.00 0.00 2.22 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 2.38 0.00 17 M 8.02 4.09 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 18 V 8.16 3.74 2.26 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 0.93 0.00 0.00 1.08 0.00 0.00 19 C 8.52 4.18 0.00 3.23 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 20 F 8.54 4.17 0.00 3.15 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 21 V 7.77 3.44 2.32 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 0.97 0.00 0.00 1.18 0.00 0.00 22 L 8.07 4.33 0.00 1.92 1.84 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.41 4.26 0.00 2.04 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 2.37 2.43 0.00 24 Q 7.93 4.03 0.00 1.61 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.36 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 25 N 7.93 4.89 0.00 2.89 2.82 0.00 0.00 7.17 6.94 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 26 G 7.88 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 0.00 0.00 0.00 27 F 7.68 4.94 0.00 3.13 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 28 Q 9.04 4.92 0.00 1.69 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 29 P 0.00 4.98 0.00 2.08 2.09 0.00 3.72 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 2.02 2.18 0.00 30 V 8.99 4.49 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 0.95 0.00 0.00 0.93 0.00 0.00 31 E 8.82 5.05 0.00 1.88 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 2.24 2.30 0.00 32 A 9.00 4.78 1.04 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 0.00 0.00 33 E 9.10 4.55 0.00 2.14 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 0.00 2.26 2.22 0.00 34 D 7.36 4.52 0.00 3.17 2.82 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 35 Y 8.69 3.80 0.00 3.31 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 36 D 8.26 4.48 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.87 4.07 0.00 3.77 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 38 A 7.80 3.75 0.59 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 0.00 0.00 39 V 7.43 3.64 2.20 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 0.83 0.00 0.00 0.66 0.00 0.00 40 N 8.16 4.48 0.00 2.78 2.85 0.00 0.00 7.08 8.53 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 41 Q 8.51 4.27 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.25 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 42 L 7.53 4.41 0.00 2.00 2.07 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.58 3.42 0.00 2.57 2.31 0.00 0.00 7.10 7.65 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 44 E 7.47 3.53 0.00 1.66 1.60 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 1.47 1.88 0.00 45 P 0.00 4.25 0.00 2.17 2.03 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 46 W 8.78 4.70 0.00 3.30 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 47 P 0.00 4.59 0.00 2.41 2.11 0.00 4.22 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 2.14 2.12 0.00 48 D 8.78 4.62 0.00 2.76 2.82 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 49 L 7.71 4.71 0.00 1.63 1.34 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.58 4.87 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 1.05 0.00 0.00 51 L 8.90 4.91 0.00 1.59 1.42 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.68 4.88 0.00 1.71 1.43 0.66 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.92 5.29 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.98 4.34 0.00 3.52 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 55 M 8.24 4.93 0.00 2.13 2.09 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 2.57 2.62 0.00 56 L 8.19 4.90 0.00 1.96 1.54 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.31 0.00 2.20 2.00 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 58 G 8.33 3.96 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 0.00 0.00 0.00 59 G 6.60 3.61 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 0.00 0.00 0.00 60 S 8.16 4.79 0.00 3.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.88 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.01 3.43 1.48 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 -0.25 0.74 0.00 0.00 63 Q 7.94 4.05 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 64 F 8.51 4.09 0.00 3.03 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 65 I 8.05 3.57 1.97 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 1.53 0.68 0.87 0.00 0.00 66 K 8.03 3.89 0.00 2.01 1.84 0.00 1.85 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 67 H 7.98 3.99 0.00 3.25 3.17 0.00 5.76 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 68 L 7.57 4.00 0.00 1.70 1.52 0.79 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.95 4.06 0.00 1.65 1.80 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.53 7.81 70 R 7.80 4.13 0.00 1.76 1.97 0.00 3.20 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 71 E 7.34 4.38 0.00 2.02 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 2.19 2.32 0.00 72 S 8.66 4.17 0.00 3.95 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 73 M 7.87 4.03 0.00 1.80 2.28 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 74 T 7.88 4.16 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 1.04 0.00 0.00 75 R 7.83 4.03 0.00 1.95 2.19 0.00 2.94 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 76 D 7.66 4.61 0.00 2.57 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 77 I 7.38 3.89 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.25 0.97 0.00 0.00 78 P 0.00 4.70 0.00 2.09 2.16 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 79 V 9.25 4.91 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 0.92 0.00 0.00 0.96 0.00 0.00 80 V 8.56 4.82 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 0.94 0.00 0.00 0.89 0.00 0.00 81 M 8.90 4.67 0.00 1.68 1.53 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 82 L 8.65 4.91 0.00 1.46 1.30 0.46 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.60 4.90 4.35 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 1.09 0.00 0.00 84 A 8.73 4.10 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 85 R 8.24 4.01 0.00 1.47 1.61 0.00 2.21 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.00 86 G 8.20 4.04 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 0.00 0.00 0.00 87 E 7.83 4.05 0.00 1.93 1.84 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 2.33 2.18 0.00 88 E 8.99 3.83 0.00 1.97 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 2.34 2.31 0.00 89 E 8.15 3.91 0.00 2.06 1.92 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 2.42 2.44 0.00 90 D 8.02 4.51 0.00 2.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.62 2.00 0.00 1.69 1.56 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.74 0.00 92 V 7.86 3.57 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 1.10 0.00 0.00 0.96 0.00 0.00 93 R 8.20 4.10 0.00 1.86 1.93 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 94 G 8.65 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 95 L 7.88 4.22 0.00 1.85 1.75 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.30 4.06 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 97 T 7.64 4.16 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 1.16 0.00 0.00 98 G 7.11 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.40 4.14 1.41 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 0.00 0.00 100 D 9.05 4.62 0.00 2.64 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 0.00 101 D 7.86 4.71 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.45 4.89 0.00 3.04 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.95 4.80 1.76 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 1.30 0.89 0.93 0.00 0.00 104 T 8.53 5.15 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 1.40 0.00 0.00 105 K 8.74 4.71 0.00 1.72 1.87 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.50 7.81 106 P 0.00 4.50 0.00 2.09 1.98 0.00 3.73 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 1.98 1.93 0.00 107 F 7.64 5.04 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 0.00 108 S 8.56 4.54 0.00 3.96 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 0.00 109 P 0.00 4.52 0.00 2.41 2.45 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 110 K 8.09 3.99 0.00 1.87 1.94 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.54 7.81 111 E 8.35 3.99 0.00 2.11 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 0.00 2.35 2.35 0.00 112 L 8.32 3.86 0.00 1.65 1.85 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.81 3.64 2.16 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 1.26 0.00 0.00 1.07 0.00 0.00 114 A 8.20 4.03 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 0.00 115 R 8.30 3.88 0.00 1.85 2.14 0.00 3.16 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 116 I 7.85 3.62 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.47 0.00 0.00 117 K 8.54 4.12 0.00 1.86 1.94 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.88 7.81 118 A 8.04 3.99 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 0.00 119 V 7.95 3.68 2.20 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 1.01 0.00 0.00 1.00 0.00 0.00 120 M 8.42 4.12 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.77 0.00 121 R 8.09 4.12 0.00 1.97 2.01 0.00 3.17 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 122 R 7.53 4.48 0.00 1.97 1.94 0.00 3.27 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 123 I 7.33 4.17 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.89 0.00 0.00