NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0165 8.0244 120.7870 60.6337 39.0994 174.2359 4 K 4.2573 8.4551 128.8801 53.4920 33.1646 172.4699 5 E 4.2179 9.3931 128.5273 55.7199 31.3143 175.5898 6 L 4.4613 8.2475 123.6444 54.8798 42.8592 176.4500 7 H 4.3473 8.8866 122.7856 56.1524 30.7119 174.5309 8 V 3.8922 8.3158 127.2497 62.8974 32.1014 175.7537 9 K 4.4215 8.4896 129.3506 54.6079 32.9394 174.4964 10 T 4.5550 8.1402 121.3155 63.0750 69.7554 173.9769 11 V 4.4092 8.1410 122.9931 60.3481 35.3729 173.2229 12 K 4.5330 8.9361 122.5056 55.2397 33.6880 174.5997 13 R 4.3477 8.9771 126.3465 60.5490 29.7584 174.5647 14 G 3.9257 9.6681 117.1403 45.7204 0.0000 171.7700 15 E 3.8653 8.2655 120.6014 54.5985 31.1903 175.9414 16 N 5.2138 8.7634 123.7580 52.4021 39.9274 174.3313 17 V 4.7527 8.4209 116.2101 59.7440 35.3880 174.6939 18 T 4.5547 8.4226 119.8735 61.9825 71.4424 173.2573 19 M 4.7439 10.4829 124.1015 53.5262 35.2703 174.4754 20 E 5.3213 8.9000 122.4854 54.7635 31.3107 176.0651 21 C 5.1198 9.2380 123.4168 54.8610 47.6764 172.7191 22 S 4.6264 9.0131 120.2875 58.4129 62.0157 174.7207 23 M 3.8195 8.3859 127.5131 58.5325 32.3413 176.0836 24 S 4.5802 7.8796 117.1970 56.2316 62.0162 172.7327 25 K 4.1810 8.0726 128.0997 56.0197 34.0335 176.6600 26 V 3.8859 7.0168 118.8319 62.6742 31.5931 173.8911 27 T 4.2685 8.5549 111.3583 64.7656 70.5783 174.0246 28 N 4.6977 9.3144 123.3465 51.4577 40.3654 174.6230 29 K 3.9037 8.3160 124.4562 57.5858 32.0760 177.7122 30 N 4.6002 9.2054 117.0655 54.5196 38.5956 174.9905 31 N 5.1172 8.0501 115.6511 52.6560 41.6992 173.3164 32 L 5.1219 7.9278 120.3419 53.3749 45.4135 174.9240 33 A 5.1297 9.0307 126.5325 50.6614 23.5473 174.3078 34 W 5.5984 9.7223 119.0740 55.8028 31.7466 175.5275 35 Y 5.4122 10.0834 120.2814 56.5780 40.5446 175.0801 36 R 4.3519 8.8108 120.5532 53.5740 32.7099 174.1317 37 Q 4.3698 8.0163 129.5056 54.5280 29.5754 174.3776 38 S 4.1695 8.5021 122.0233 58.7094 64.0906 173.8422 39 F 4.0063 9.0798 124.7416 59.7581 39.4435 174.9207 40 G 3.4777 8.0072 115.2483 46.1961 0.0000 172.9743 41 K 4.6147 8.0568 121.0461 54.5337 34.5129 175.8226 42 V 4.4644 7.9320 118.5547 60.3116 33.4208 174.2452 43 P 4.7113 0.0000 0.0000 62.7343 32.8795 175.8525 44 Q 4.6635 8.5263 119.2317 54.7059 32.7861 173.9187 45 Y 3.5062 9.1749 124.5639 57.9113 38.8726 175.0573 46 F 4.8680 8.1238 125.9847 59.3543 44.1239 174.4400 47 V 4.0945 7.0659 115.3982 60.3425 34.0770 172.4434 48 R 5.2574 8.2308 119.6180 54.4374 33.1845 173.6223 49 Y 4.7699 8.2477 118.9179 57.4998 39.9674 174.4456 50 Y 4.6998 7.1194 124.8867 56.0963 41.5889 174.6410 51 S 4.3869 8.0185 123.7574 58.5665 60.9923 173.0148 52 S 4.5157 7.4692 117.6177 57.2936 65.2174 176.3840 53 N 4.4069 8.9342 121.4549 56.4881 38.3605 177.3222 54 S 4.2010 8.0855 112.4885 59.3088 63.3668 175.2391 55 G 4.4290 8.2329 108.1101 45.8528 0.0000 172.1951 56 Y 5.0136 6.9410 116.4774 55.6524 41.2968 173.8970 57 K 4.2489 8.2494 118.8477 55.3494 35.8717 174.8835 58 F 3.9660 9.1545 126.2035 56.7884 40.0622 174.8271 59 A 3.7258 8.2688 122.8649 52.5983 18.5201 178.6141 60 E 3.8728 9.2890 122.7262 59.3183 29.8544 178.2889 61 G 3.8354 8.2756 104.3187 46.5386 0.0000 172.3613 62 F 4.8147 8.3861 122.8951 55.8432 41.2663 174.3836 63 K 4.0707 7.5940 126.4167 55.1419 34.7664 175.3605 64 D 4.0998 7.5012 119.3517 53.3967 43.3549 176.3165 65 S 4.1815 8.7430 123.7738 61.1343 63.4685 175.5096 66 R 3.9177 8.4367 120.2098 59.0869 30.8899 176.8162 67 F 4.8207 8.0357 117.6479 56.6232 40.0294 175.7970 68 S 4.8579 9.0277 117.5828 58.0658 66.6457 172.6063 69 M 4.8435 7.7791 117.7182 54.1069 34.9431 176.6899 70 T 4.3728 8.7007 120.0881 62.0891 68.0334 171.7842 71 V 4.6415 7.8890 122.4503 61.6836 32.7954 173.9378 72 N 4.9236 8.5113 127.4295 52.1765 39.4144 174.4298 73 D 4.4812 9.0855 115.9995 58.0259 41.0728 177.5521 74 Q 4.3540 9.4764 117.4434 56.6464 29.1739 176.1546 75 K 4.7937 7.9064 115.9761 54.5975 35.5824 175.0944 76 F 5.3791 8.6106 122.1443 56.7907 38.1998 173.4939 77 D 5.0732 8.0390 120.6953 52.5153 43.4033 176.4780 78 L 4.2214 8.8928 126.6241 53.6246 43.5834 174.8058 79 N 5.3052 9.3935 124.3737 51.4106 42.3088 173.5739 80 I 4.3194 9.4947 123.0366 59.3342 40.5117 174.8624 81 I 4.6356 7.5386 129.1797 60.4319 37.0448 176.4024 82 G 3.6834 8.4068 117.6180 45.2898 0.0000 172.9188 83 A 4.0168 8.0139 120.6600 52.2400 19.2111 177.3263 84 R 4.7481 10.2582 120.4392 56.0650 31.4775 177.7204 85 E 2.5400 7.0352 116.4188 57.8396 31.7836 176.6117 86 D 4.8490 8.2017 119.9697 52.4356 39.6301 176.8026 87 D 4.7697 9.2509 121.5260 56.3212 41.2222 177.0230 88 G 4.1176 7.7680 107.5588 45.7863 0.0000 172.4410 89 G 3.8160 7.0538 103.4203 44.1306 0.0000 172.5592 90 E 5.0354 7.8189 119.0453 55.1211 34.5532 174.3655 91 Y 4.7745 8.9689 120.2972 56.3207 42.5597 174.4300 92 F 5.6504 9.2743 120.7000 56.0331 44.0617 172.7744 93 C 4.9937 8.3172 119.0936 54.8994 47.4925 173.0402 94 G 4.2105 8.6638 110.9830 45.8312 0.0000 171.5124 95 E 5.1176 8.4991 120.5807 54.1061 33.1591 174.7984 96 V 4.0796 8.8210 127.3547 62.8619 32.8169 175.6742 97 E 4.3074 9.4040 129.1377 55.2935 32.5164 177.7104 98 G 3.9852 9.2826 118.8027 46.4152 0.0000 172.6806 99 I 4.6042 8.8880 108.2284 60.1749 39.0222 175.5129 100 I 4.7041 7.3573 119.4376 60.2775 41.4574 174.1042 101 I 4.6860 8.1361 123.6446 59.0633 41.0837 174.8087 102 K 4.3134 8.3395 125.8668 54.4873 34.8905 175.5796 103 F 4.9959 8.5930 125.3773 56.7399 38.6516 176.2899 104 T 4.1032 9.0020 116.2590 64.0345 69.2786 174.2741 105 S 4.5741 6.7984 114.6308 60.1856 66.5110 173.5940 106 G 4.5075 7.7736 104.3348 47.9469 0.0000 171.1205 107 T 5.1779 8.7607 115.8736 62.1804 72.7554 174.1372 108 R 5.0210 8.7940 127.9552 54.5700 29.5114 173.6569 109 L 4.4786 8.3900 126.1598 54.8956 43.7694 175.4434 110 Q 4.7869 8.6964 122.8017 54.9696 33.3790 173.1842 111 F 4.9507 8.9987 116.6386 56.4575 41.3499 174.7744 112 E 5.0410 8.6553 124.3353 56.6481 27.9804 176.3657 113 G 4.4504 7.8452 107.9748 45.6552 0.0000 172.9157 114 S 4.6699 8.1155 120.8974 56.1191 67.0231 174.1599 115 N 4.3798 8.6461 122.4732 53.2191 35.1434 172.1224 116 E 4.0019 8.1868 124.6981 58.5296 29.6133 176.5586 117 G 4.1379 7.4636 114.2100 44.5319 0.0000 170.0280 118 S 4.4663 7.8127 112.3142 59.7589 65.5508 176.7727 119 K 4.3107 7.8029 123.8506 54.8035 30.7211 177.7791 120 S 4.1745 7.9149 115.4037 60.7136 63.4301 174.2742 121 S 4.5180 7.5284 115.1887 55.3142 64.7710 172.7301 122 D 4.5343 8.8741 128.1306 55.8141 41.0325 176.8526 123 G 4.4340 7.7423 110.0861 44.4103 0.0000 172.3296 124 E 4.8607 7.5171 118.4865 56.8296 34.0410 175.1287 125 G 3.8590 7.9121 103.6070 47.1022 0.0000 175.3164 126 S 4.0105 7.8381 117.2807 58.0269 62.7814 175.6057 127 S 4.7820 7.9321 114.7148 56.0378 66.8402 174.3898 128 C 4.4978 8.3205 119.0728 60.3983 31.3821 173.0910 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 I 8.02 4.02 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 1.30 1.34 0.91 0.00 0.00 4 K 8.46 4.26 0.00 1.82 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.59 7.81 5 E 9.39 4.22 0.00 2.00 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 2.33 2.37 0.00 6 L 8.25 4.46 0.00 1.63 1.68 1.11 1.20 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 7 H 8.89 4.35 0.00 3.34 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.32 3.89 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 0.78 0.00 0.00 0.94 0.00 0.00 9 K 8.49 4.42 0.00 1.79 1.58 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.33 7.81 10 T 8.14 4.56 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 1.17 0.00 0.00 11 V 8.14 4.41 1.74 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 -0.06 0.00 0.00 0.89 0.00 0.00 12 K 8.94 4.53 0.00 1.89 1.77 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.36 7.81 13 R 8.98 4.35 0.00 1.96 2.01 0.00 3.21 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 14 G 9.67 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 15 E 8.27 3.87 0.00 2.08 1.75 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 2.24 2.30 0.00 16 N 8.76 5.21 0.00 2.63 2.64 0.00 0.00 6.90 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 17 V 8.42 4.75 1.95 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 0.68 0.00 0.00 0.83 0.00 0.00 18 T 8.42 4.55 4.18 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 1.24 0.00 0.00 19 M 10.48 4.74 0.00 1.86 1.33 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 20 E 8.90 5.32 0.00 1.94 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 2.30 2.16 0.00 21 C 9.24 5.12 0.00 3.26 3.40 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 22 S 9.01 4.63 0.00 3.96 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 23 M 8.39 3.82 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 24 S 7.88 4.58 0.00 3.88 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 25 K 8.07 4.18 0.00 1.81 1.94 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.14 7.81 26 V 7.02 3.89 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 0.77 0.00 0.00 0.89 0.00 0.00 27 T 8.55 4.27 4.27 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 1.16 0.00 0.00 28 N 9.31 4.70 0.00 2.49 2.63 0.00 0.00 7.32 5.87 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 29 K 8.32 3.90 0.00 0.79 1.10 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.20 7.81 30 N 9.21 4.60 0.00 2.71 2.82 0.00 0.00 6.68 7.88 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 31 N 8.05 5.12 0.00 2.68 2.76 0.00 0.00 6.33 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 7.93 5.12 0.00 1.50 1.18 0.71 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.03 5.13 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 34 W 9.72 5.60 0.00 3.37 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 35 Y 10.08 5.41 0.00 3.21 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 36 R 8.81 4.35 0.00 0.92 0.92 0.00 2.21 0.00 0.00 2.75 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 37 Q 8.02 4.37 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 38 S 8.50 4.17 0.00 3.77 3.80 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 39 F 9.08 4.01 0.00 2.94 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 40 G 8.01 3.48 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 0.00 0.00 0.00 41 K 8.06 4.61 0.00 1.78 1.75 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.46 7.81 42 V 7.93 4.46 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 0.77 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.71 0.00 2.17 2.28 0.00 3.70 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 2.12 2.25 0.00 44 Q 8.53 4.66 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 45 Y 9.17 3.51 0.00 2.67 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 46 F 8.12 4.87 0.00 3.04 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 47 V 7.07 4.09 0.67 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 0.06 0.00 0.00 0.07 0.00 0.00 48 R 8.23 5.26 0.00 2.07 2.52 0.00 3.00 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 49 Y 8.25 4.77 0.00 2.83 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 50 Y 7.12 4.70 0.00 2.92 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 51 S 8.02 4.39 0.00 3.65 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 52 S 7.47 4.52 0.00 4.10 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 53 N 8.93 4.41 0.00 2.73 2.87 0.00 0.00 6.95 7.57 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 54 S 8.09 4.20 0.00 3.83 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 55 G 8.23 4.43 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 0.00 56 Y 6.94 5.01 0.00 3.09 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 57 K 8.25 4.25 0.00 1.26 1.29 0.00 1.18 0.00 0.00 1.20 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.17 7.81 58 F 9.15 3.97 0.00 3.08 3.09 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 59 A 8.27 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.29 3.87 0.00 2.01 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 0.00 2.34 2.36 0.00 61 G 8.28 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 62 F 8.39 4.81 0.00 2.98 3.13 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 63 K 7.59 4.07 0.00 1.66 1.60 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.09 1.22 7.81 64 D 7.50 4.10 0.00 2.30 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 65 S 8.74 4.18 0.00 3.84 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 66 R 8.44 3.92 0.00 1.82 1.38 0.00 3.04 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 67 F 8.04 4.82 0.00 3.03 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 68 S 9.03 4.86 0.00 3.91 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 69 M 7.78 4.84 0.00 1.13 0.57 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.88 0.00 70 T 8.70 4.37 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 1.22 0.00 0.00 71 V 7.89 4.64 2.52 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 1.02 0.00 0.00 0.98 0.00 0.00 72 N 8.51 4.92 0.00 3.00 2.93 0.00 0.00 6.58 7.95 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 73 D 9.09 4.48 0.00 2.73 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 74 Q 9.48 4.35 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 75 K 7.91 4.79 0.00 2.11 1.81 0.00 2.08 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.52 7.81 76 F 8.61 5.38 0.00 3.02 3.05 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 77 D 8.04 5.07 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.22 0.00 0.41 0.74 0.52 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 79 N 9.39 5.31 0.00 2.55 2.54 0.00 0.00 6.34 5.12 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 80 I 9.49 4.32 1.67 0.00 0.00 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 1.13 -0.12 0.44 0.00 0.00 81 I 7.54 4.64 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.84 0.00 0.00 82 G 8.41 3.68 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 0.00 83 A 8.01 4.02 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 84 R 10.26 4.75 0.00 1.89 2.04 0.00 2.81 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 85 E 7.04 2.54 0.00 1.93 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 2.14 2.14 0.00 86 D 8.20 4.85 0.00 2.75 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 87 D 9.25 4.77 0.00 2.91 3.10 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 88 G 7.77 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.05 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 0.00 0.00 0.00 90 E 7.82 5.04 0.00 1.74 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 2.26 2.31 0.00 91 Y 8.97 4.77 0.00 3.08 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 92 F 9.27 5.65 0.00 2.98 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 93 C 8.32 4.99 0.00 1.28 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 94 G 8.66 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 0.00 0.00 0.00 0.00 95 E 8.50 5.12 0.00 1.85 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 2.07 2.26 0.00 96 V 8.82 4.08 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 0.70 0.00 0.00 0.88 0.00 0.00 97 E 9.40 4.31 0.00 1.87 1.68 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 2.14 2.20 0.00 98 G 9.28 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 99 I 8.89 4.60 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.89 0.00 0.00 100 I 7.36 4.70 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.00 0.83 0.00 0.00 101 I 8.14 4.69 1.64 0.00 0.00 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 0.70 0.73 0.49 0.00 0.00 102 K 8.34 4.31 0.00 1.56 1.57 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.25 7.81 103 F 8.59 5.00 0.00 2.82 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 0.00 104 T 9.00 4.10 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 1.17 0.00 0.00 105 S 6.80 4.57 0.00 3.98 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 0.00 106 G 7.77 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 0.00 107 T 8.76 5.18 4.44 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 1.33 0.00 0.00 108 R 8.79 5.02 0.00 1.99 1.88 0.00 3.35 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 109 L 8.39 4.48 0.00 1.71 1.68 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.70 4.79 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 111 F 9.00 4.95 0.00 2.92 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 0.00 112 E 8.66 5.04 0.00 2.22 2.43 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 2.36 2.14 0.00 113 G 7.85 4.45 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 0.00 114 S 8.12 4.67 0.00 3.87 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 0.00 115 N 8.65 4.38 0.00 2.80 2.88 0.00 0.00 6.05 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 0.00 116 E 8.19 4.00 0.00 1.96 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 0.00 2.30 2.31 0.00 117 G 7.46 4.14 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 0.00 0.00 0.00 118 S 7.81 4.47 0.00 3.92 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 0.00 119 K 7.80 4.31 0.00 1.73 1.82 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.42 7.81 120 S 7.91 4.17 0.00 4.01 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 0.00 121 S 7.53 4.52 0.00 3.78 3.73 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 0.00 122 D 8.87 4.53 0.00 2.67 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 0.00 123 G 7.74 4.43 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 0.00 124 E 7.52 4.86 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 2.05 2.10 0.00 125 G 7.91 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 0.00 126 S 7.84 4.01 0.00 3.99 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 0.00 127 S 7.93 4.78 0.00 3.95 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 0.00 128 C 8.32 4.50 0.00 2.89 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