NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 3.9511 8.2676 118.1195 53.7138 38.5272 174.5820 2 Y 3.6552 8.6293 116.5013 57.1514 37.2957 168.6413 3 D 4.6980 7.5316 120.1502 55.3682 44.1308 176.2608 4 P 4.6629 0.0000 0.0000 64.2409 32.5358 175.1010 5 F 5.2643 7.2397 112.3670 55.1268 41.7295 172.9660 6 V 4.4795 8.8428 119.9332 60.1877 33.1234 174.7772 7 R 5.7461 8.3901 124.7183 53.6972 33.3465 173.4306 8 H 5.1362 8.9310 124.7686 54.4387 32.7764 173.2336 9 S 4.9700 8.5402 118.7850 56.8731 65.3777 173.3482 10 V 4.5649 8.4156 124.0578 61.4404 35.2444 173.5558 11 T 4.9472 9.0801 124.6807 61.9833 70.2119 173.7769 12 V 4.2754 8.9865 127.5664 61.2675 33.4218 176.3165 13 K 4.5111 8.7296 125.2612 56.3517 32.7089 176.5624 14 A 4.4663 9.1162 122.8932 53.0924 21.1813 175.9106 15 D 5.7062 7.7192 111.1337 50.9525 39.5856 177.4744 16 R 3.8849 7.7402 122.3788 59.0482 29.8680 178.6238 17 K 4.0048 8.0704 119.3457 59.7475 32.3140 178.8223 18 T 3.8947 8.7992 116.2849 66.3352 68.2292 176.4771 19 A 3.9192 7.8278 122.4624 55.1622 18.4109 179.4098 20 F 4.0080 8.3239 119.4356 61.1809 39.4074 176.9714 21 K 3.8018 8.7721 119.5079 59.9919 31.7765 178.7625 22 T 4.0660 8.1072 114.6816 66.7842 68.4923 176.1791 23 F 4.7328 8.9372 121.6964 60.6421 39.6166 175.9226 24 L 4.0244 7.9993 116.7221 54.5542 43.2583 176.4203 25 E 4.3643 7.9454 116.4259 57.1798 32.1346 176.9339 26 G 3.8860 8.4732 107.3531 45.4285 0.0000 175.2163 27 F 2.0000 7.4580 123.8449 59.5552 39.0781 175.9808 28 P 4.1889 0.0000 0.0000 64.6549 31.1013 176.3940 29 E 4.3692 7.5197 116.0367 55.7980 29.8707 176.0452 30 W 4.1108 6.7992 120.7248 55.6911 31.0744 176.6582 31 W 5.6006 7.7713 115.7537 56.5804 28.5912 173.7535 32 P 4.6337 0.0000 0.0000 64.6866 32.0500 175.3938 33 N 4.8366 8.2357 114.8911 54.8993 40.9093 175.4203 34 N 5.5592 8.2361 111.0624 53.1797 37.2505 175.5099 35 F 4.8294 8.1128 121.3865 58.2049 38.6337 173.9087 36 R 4.6260 7.4301 117.9631 55.1526 34.4640 174.5460 37 T 5.2106 8.0185 107.0800 60.4929 71.3252 173.5974 38 T 4.2097 8.5876 113.0422 61.1169 68.3690 171.5484 39 K 4.1118 7.5743 124.8878 56.7539 33.9283 177.2567 40 V 3.4655 8.2402 117.4785 64.1824 30.6085 173.5822 41 G 4.0725 9.3632 115.8863 46.0418 0.0000 171.0065 42 A 4.6023 9.3194 128.6827 50.5456 23.1166 176.0094 43 P 4.5439 0.0000 0.0000 60.6468 28.8948 174.4972 44 L 3.8975 7.1290 127.0923 51.6610 48.4403 174.0300 45 G 3.8493 8.1313 111.1082 45.0033 0.0000 173.4687 46 V 4.4870 6.6937 116.8812 60.4597 34.8952 173.1872 47 D 4.7797 9.3741 125.8897 52.7236 42.2429 177.5208 48 K 4.0443 8.7321 126.7060 59.2685 32.4233 178.6291 49 K 4.2089 8.1093 115.8346 58.3842 32.9279 177.5380 50 G 3.9299 8.1569 106.9580 44.3386 0.0000 171.8763 51 G 3.6907 9.5349 108.7417 44.5496 0.0000 171.9221 52 R 5.1791 7.3463 115.3590 55.3818 33.5248 175.2650 53 W 4.9389 9.2188 124.1874 56.2188 30.3296 175.0499 54 Y 5.5408 8.4492 121.3625 56.6961 42.6469 173.7418 55 E 4.8524 8.6584 119.9081 54.5365 34.7236 175.3010 56 I 4.5394 8.0363 121.2397 60.2622 37.8216 175.7993 57 D 4.8481 8.7494 127.6949 53.2284 41.9012 177.1984 58 E 4.0241 8.6613 120.6408 58.6308 29.7229 177.6656 59 Q 4.4851 9.7979 116.0105 55.3898 31.1004 176.3488 60 G 4.3550 6.4240 110.5537 46.0841 0.0000 174.9368 61 E 4.8663 8.6994 124.3304 54.1961 31.4333 175.4087 62 E 4.5071 9.2377 126.7979 55.7171 32.5376 174.3300 63 H 4.1087 8.3118 112.8483 54.3230 29.5545 174.0314 64 T 3.9202 8.4972 117.7124 61.6073 67.6627 173.5112 65 F 4.4627 9.2488 130.3255 56.4542 40.6834 174.9768 66 G 4.0896 6.8978 111.9881 44.7898 0.0000 171.9671 67 L 4.7913 7.1347 123.5145 53.8008 41.5463 175.1049 68 I 4.4158 8.4779 126.4540 61.6594 37.1696 176.5119 69 R 4.4208 9.5429 126.4967 57.2643 31.8121 176.8988 70 K 4.3018 7.9343 120.4943 55.6327 35.1919 175.2981 71 V 4.8801 8.5883 129.0554 61.3180 31.4010 174.8416 72 D 4.6269 9.0761 130.2627 53.2843 40.1093 175.6396 73 E 3.2715 7.7061 117.6195 56.0211 30.6115 174.1948 74 P 4.1468 0.0000 0.0000 62.6354 28.5175 173.7808 75 D 4.6210 7.3905 126.6144 53.9528 47.2871 174.3097 76 T 5.4330 8.3797 107.5897 60.2081 73.1770 172.5445 77 L 5.2537 9.2178 123.2606 53.5089 45.7209 175.5722 78 V 5.2268 9.0911 125.8745 60.9339 32.8030 174.8466 79 I 4.7918 8.0335 120.7694 59.0530 41.5708 174.4574 80 G 4.4249 8.2840 110.4186 43.5737 0.0000 172.3987 81 W 4.2915 9.2693 131.7090 57.3932 31.0836 175.5528 82 R 3.9079 6.0382 122.4103 55.9154 32.9971 174.2136 83 L 4.0635 7.6832 120.8459 54.8622 42.6658 175.3200 84 N 4.9710 8.7151 115.1522 52.4467 40.5005 176.1973 85 G 4.1025 8.3816 109.8408 45.4377 0.0000 172.7063 86 F 4.8518 7.7100 125.3139 57.8095 42.1692 175.0751 87 G 3.7530 7.8593 103.7155 44.6471 0.0000 172.3948 88 R 4.5435 7.4915 114.8802 54.6735 32.0918 175.8819 89 I 4.2909 8.0184 118.0818 59.5206 39.1701 174.6493 90 D 4.8138 8.3043 124.7189 52.1410 40.4467 175.5040 91 P 4.9016 0.0000 0.0000 62.4601 30.1964 177.6771 92 D 4.5833 7.5015 116.5617 55.5392 41.4565 175.8566 93 N 4.4803 7.4649 115.0526 53.6645 40.0922 176.2667 94 S 3.7903 7.7860 118.8396 59.9693 61.6617 171.5141 95 S 3.8836 7.0419 110.4242 59.4197 59.0350 169.7632 96 E 4.9395 8.2652 126.8611 54.3685 32.0496 174.4403 97 F 5.0423 7.9308 118.3330 56.0874 41.9673 173.4594 98 T 4.3492 8.7510 118.8089 62.7527 69.5026 174.5048 99 V 4.0903 8.9292 129.1479 62.7058 32.6431 175.3042 100 T 4.7122 8.6526 126.9661 62.0753 69.8730 174.1561 101 F 4.8058 8.8895 127.0029 56.3684 40.0905 176.0419 102 V 4.2683 8.7604 125.6852 61.1162 32.7321 174.8243 103 A 4.7217 8.6458 130.7722 51.3397 19.3111 175.7538 104 D 4.5531 9.4664 123.4170 52.7783 43.8634 176.1689 105 G 3.7042 9.3658 113.2757 45.5699 0.0000 172.8498 106 Q 3.5662 8.3334 117.0732 56.4775 27.4568 173.7463 107 K 5.4099 7.7359 109.0164 55.4992 34.5962 175.4865 108 K 4.9253 8.4456 121.0795 56.1411 36.2839 175.3800 109 T 5.4943 8.9447 121.4407 63.1791 73.2236 172.6672 110 R 4.8152 8.8434 128.3370 54.9670 31.9525 174.9968 111 V 4.6961 8.7292 127.7048 60.2670 33.6908 174.6267 112 D 5.8500 8.9598 123.8968 50.5862 42.3244 174.6909 113 V 5.2572 8.2877 122.8987 61.3132 33.6387 174.2831 114 E 5.1869 8.7451 125.9169 55.2001 33.0606 173.9894 115 H 5.0093 9.1522 122.8177 55.9694 34.2467 173.0976 116 T 5.2240 7.4337 118.8393 64.6959 70.1104 171.5139 117 H 4.0688 9.5479 131.9721 56.4956 36.3826 175.4006 118 F 4.6564 7.8860 120.0571 59.7288 39.7104 177.1972 119 D 4.5630 8.3445 120.0201 56.0767 39.6818 178.0306 120 R 4.0414 8.1361 119.5656 58.3843 30.3007 177.3183 121 M 4.1578 8.0289 113.9312 56.4292 30.9665 176.3544 122 G 4.3104 7.4363 108.6338 46.3827 0.0000 174.3235 123 T 3.3127 8.9807 119.6824 64.4906 65.9410 174.8814 124 K 3.9430 8.8535 125.5529 61.1075 33.9626 178.7356 125 H 4.2754 8.0750 119.4437 58.2689 29.7279 176.8892 126 A 3.9386 7.9091 122.1179 54.4020 18.1731 179.5927 127 K 3.9771 7.6968 116.8112 59.5557 32.2220 179.4539 128 R 4.0849 7.6599 114.9478 58.9413 29.2885 178.7134 129 V 3.7199 7.5422 119.2098 65.7393 31.2420 177.6878 130 R 4.0149 7.6885 117.3102 58.4010 29.8474 177.6292 131 N 4.6789 7.6345 115.6170 56.2236 39.1120 176.0093 132 G 4.3609 7.9429 103.8101 44.4424 0.0000 173.8312 133 M 4.2015 8.2270 119.2829 58.2797 32.1228 177.2788 134 D 4.5131 8.2297 117.0361 56.1370 41.4328 176.9039 135 K 4.7577 7.4336 117.1832 56.4307 33.4011 177.1191 136 G 4.2814 8.2833 105.8992 44.7657 0.0000 175.4890 137 W 4.2026 8.7038 127.5399 59.2599 31.0661 176.2686 138 P 3.9438 0.0000 0.0000 66.2688 30.5555 178.5060 139 T 3.7118 7.7797 114.9011 66.1942 68.3655 176.4772 140 I 3.4828 7.9715 122.1218 64.5344 37.2784 178.4253 141 L 3.3467 7.4222 119.3838 57.4951 41.3237 179.8716 142 Q 3.9040 7.2813 117.7853 59.2420 28.7337 178.8413 143 S 4.2789 7.8503 115.2649 60.8470 62.7824 176.4568 144 F 3.6626 8.5041 124.5736 61.4472 39.0249 177.2639 145 Q 3.9252 8.0454 117.1099 58.6331 28.5402 178.3842 146 D 4.2645 7.8978 119.0105 57.0740 41.1664 177.9452 147 K 3.9963 8.3186 119.4454 59.9593 32.3737 178.4776 148 I 3.7260 7.5355 119.7354 64.1520 36.8998 177.8507 149 D 4.3114 8.1299 119.3000 57.2872 41.1463 177.8863 150 E 4.4655 8.1091 118.0605 58.3990 29.3935 178.5510 151 E 4.2946 8.1865 118.2459 58.2894 30.5289 177.1630 152 G 4.1390 7.3773 103.2699 43.7315 0.0000 171.7482 153 A 4.3070 7.7682 127.9735 52.7868 24.6749 177.8580 154 K 4.1392 8.4830 116.0341 57.8752 32.9780 176.4521 155 K 4.1567 7.7294 123.2304 56.4814 32.0373 176.3461 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 N 8.27 3.95 0.00 2.69 2.64 0.00 0.00 5.85 6.80 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 2 Y 8.63 3.66 0.00 3.28 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 3 D 7.53 4.70 0.00 2.42 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.66 0.00 2.50 2.21 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 5 F 7.24 5.26 0.00 3.22 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 6 V 8.84 4.48 2.19 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 0.95 0.00 0.00 0.87 0.00 0.00 7 R 8.39 5.75 0.00 2.13 1.87 0.00 3.23 0.00 0.00 3.89 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 8 H 8.93 5.14 0.00 3.18 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.54 4.97 0.00 3.81 3.78 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 10 V 8.42 4.56 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 1.22 0.00 0.00 0.81 0.00 0.00 11 T 9.08 4.95 4.25 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 1.23 0.00 0.00 12 V 8.99 4.28 2.37 0.00 0.00 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 0.00 0.00 1.07 0.00 0.00 13 K 8.73 4.51 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.64 7.81 14 A 9.12 4.47 1.23 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 15 D 7.72 5.71 0.00 2.93 3.12 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 16 R 7.74 3.88 0.00 1.96 1.94 0.00 3.35 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 17 K 8.07 4.00 0.00 1.82 2.02 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.49 7.81 18 T 8.80 3.89 4.23 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 1.15 0.00 0.00 19 A 7.83 3.92 1.23 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 20 F 8.32 4.01 0.00 2.94 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 21 K 8.77 3.80 0.00 2.00 2.06 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 22 T 8.11 4.07 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 1.20 0.00 0.00 23 F 8.94 4.73 0.00 3.45 3.45 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 24 L 8.00 4.02 0.00 1.25 0.93 0.35 0.75 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 25 E 7.95 4.36 0.00 2.08 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 0.00 2.08 2.01 0.00 26 G 8.47 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 0.00 0.00 0.00 27 F 7.46 2.00 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.11 2.26 0.00 3.61 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 1.83 1.83 0.00 29 E 7.52 4.37 0.00 2.03 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 2.17 2.18 0.00 30 W 6.80 4.11 0.00 3.45 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.77 5.60 0.00 3.22 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 32 P 0.00 4.63 0.00 2.23 2.30 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 33 N 8.24 4.84 0.00 2.81 2.88 0.00 0.00 6.99 6.70 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 34 N 8.24 5.56 0.00 2.96 3.09 0.00 0.00 6.46 8.50 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 35 F 8.11 4.83 0.00 3.07 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 36 R 7.43 4.63 0.00 2.03 1.79 0.00 3.43 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 37 T 8.02 5.21 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 1.14 0.00 0.00 38 T 8.59 4.21 4.25 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 1.24 0.00 0.00 39 K 7.57 4.11 0.00 1.79 1.54 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.39 7.81 40 V 8.24 3.47 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 0.65 0.00 0.00 0.94 0.00 0.00 41 G 9.36 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 42 A 9.32 4.60 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 43 P 0.00 4.54 0.00 2.00 1.99 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 44 L 7.13 3.90 0.00 1.44 1.36 0.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.13 3.85 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 0.00 46 V 6.69 4.49 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 0.25 0.00 0.00 -0.20 0.00 0.00 47 D 9.37 4.78 0.00 2.75 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 48 K 8.73 4.04 0.00 1.81 1.90 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.46 7.81 49 K 8.11 4.21 0.00 1.87 1.95 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.44 7.81 50 G 8.16 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 51 G 9.53 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 0.00 0.00 0.00 52 R 7.35 5.18 0.00 2.32 2.20 0.00 3.18 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 53 W 9.22 4.94 0.00 3.12 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 54 Y 8.45 5.54 0.00 2.88 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 55 E 8.66 4.85 0.00 1.76 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 1.96 1.77 0.00 56 I 8.04 4.54 1.83 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 1.24 0.93 0.91 0.00 0.00 57 D 8.75 4.85 0.00 2.76 2.44 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 58 E 8.66 4.02 0.00 2.10 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 0.00 2.27 2.29 0.00 59 Q 9.80 4.49 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.22 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 60 G 6.42 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 0.00 0.00 0.00 0.00 61 E 8.70 4.87 0.00 1.88 1.96 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 2.04 2.23 0.00 62 E 9.24 4.51 0.00 2.08 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 0.00 2.58 2.51 0.00 63 H 8.31 4.11 0.00 3.55 3.44 0.00 5.33 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.50 3.92 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 1.15 0.00 0.00 65 F 9.25 4.46 0.00 2.74 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 66 G 6.90 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 0.00 0.00 0.00 67 L 7.13 4.79 0.00 1.68 1.78 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.48 4.42 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.90 1.14 0.00 0.00 69 R 9.54 4.42 0.00 1.61 2.00 0.00 3.31 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 70 K 7.93 4.30 0.00 1.85 1.69 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.51 7.81 71 V 8.59 4.88 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 1.06 0.00 0.00 1.03 0.00 0.00 72 D 9.08 4.63 0.00 2.79 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 73 E 7.71 3.27 0.00 1.95 1.85 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 2.09 2.14 0.00 74 P 0.00 4.15 0.00 1.92 2.13 0.00 3.39 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 75 D 7.39 4.62 0.00 2.64 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 76 T 8.38 5.43 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 1.35 0.00 0.00 77 L 9.22 5.25 0.00 2.02 2.01 1.52 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 V 9.09 5.23 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 0.88 0.00 0.00 1.02 0.00 0.00 79 I 8.03 4.79 1.83 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.36 1.34 0.00 0.00 80 G 8.28 4.42 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 0.00 81 W 9.27 4.29 0.00 3.19 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 82 R 6.04 3.91 0.00 1.16 1.36 0.00 3.09 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.00 83 L 7.68 4.06 0.00 1.56 0.97 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.72 4.97 0.00 2.83 2.83 0.00 0.00 6.75 8.10 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 85 G 8.38 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 86 F 7.71 4.85 0.00 2.91 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 87 G 7.86 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 88 R 7.49 4.54 0.00 2.05 2.13 0.00 3.17 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 89 I 8.02 4.29 2.04 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.99 0.00 0.00 90 D 8.30 4.81 0.00 2.86 2.71 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 91 P 0.00 4.90 0.00 2.23 2.18 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 92 D 7.50 4.58 0.00 2.82 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 93 N 7.46 4.48 0.00 2.08 2.35 0.00 0.00 5.75 6.71 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 94 S 7.79 3.79 0.00 3.00 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 95 S 7.04 3.88 0.00 4.20 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 0.00 96 E 8.27 4.94 0.00 1.86 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 2.09 2.16 0.00 97 F 7.93 5.04 0.00 3.23 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 98 T 8.75 4.35 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 1.29 0.00 0.00 99 V 8.93 4.09 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 0.36 0.00 0.00 1.33 0.00 0.00 100 T 8.65 4.71 4.58 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 1.24 0.00 0.00 101 F 8.89 4.81 0.00 3.23 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 0.00 102 V 8.76 4.27 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 0.96 0.00 0.00 0.98 0.00 0.00 103 A 8.65 4.72 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 0.00 104 D 9.47 4.55 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.37 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.33 3.57 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.16 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 107 K 7.74 5.41 0.00 1.79 1.80 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.22 7.81 108 K 8.45 4.93 0.00 1.84 1.77 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.50 7.81 109 T 8.94 5.49 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 1.53 0.00 0.00 110 R 8.84 4.82 0.00 1.95 1.83 0.00 3.38 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 111 V 8.73 4.70 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 0.20 0.00 0.00 -0.12 0.00 0.00 112 D 8.96 5.85 0.00 2.71 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 0.00 113 V 8.29 5.26 2.23 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 1.16 0.00 0.00 1.13 0.00 0.00 114 E 8.75 5.19 0.00 1.94 1.86 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 2.43 2.24 0.00 115 H 9.15 5.01 0.00 3.39 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.43 5.22 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 1.29 0.00 0.00 117 H 9.55 4.07 0.00 2.70 2.38 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.89 4.66 0.00 3.17 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 0.00 119 D 8.34 4.56 0.00 2.97 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 0.00 120 R 8.14 4.04 0.00 1.88 1.98 0.00 3.19 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 121 M 8.03 4.16 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 122 G 7.44 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 0.00 123 T 8.98 3.31 4.25 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 1.22 0.00 0.00 124 K 8.85 3.94 0.00 1.96 2.05 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 125 H 8.07 4.28 0.00 3.26 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.91 3.94 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 0.00 127 K 7.70 3.98 0.00 2.00 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.65 7.81 128 R 7.66 4.08 0.00 1.95 2.06 0.00 3.09 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 129 V 7.54 3.72 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 1.09 0.00 0.00 0.17 0.00 0.00 130 R 7.69 4.01 0.00 2.01 2.13 0.00 3.43 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 131 N 7.63 4.68 0.00 2.86 3.20 0.00 0.00 6.69 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 0.00 132 G 7.94 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 0.00 0.00 0.00 0.00 133 M 8.23 4.20 0.00 2.50 2.23 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 134 D 8.23 4.51 0.00 2.73 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 0.00 135 K 7.43 4.76 0.00 1.83 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.59 7.81 136 G 8.28 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 0.00 0.00 0.00 0.00 137 W 8.70 4.20 0.00 3.65 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 0.00 138 P 0.00 3.94 0.00 2.28 2.32 0.00 3.96 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 139 T 7.78 3.71 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 1.20 0.00 0.00 140 I 7.97 3.48 1.60 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 1.56 1.09 -0.10 0.00 0.00 141 L 7.42 3.35 0.00 1.44 1.40 -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.28 3.90 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 143 S 7.85 4.28 0.00 3.78 3.87 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 0.00 0.00 0.00 144 F 8.50 3.66 0.00 2.61 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 0.00 145 Q 8.05 3.93 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 146 D 7.90 4.26 0.00 2.87 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 0.00 147 K 8.32 4.00 0.00 1.49 1.54 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.32 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.95 0.95 7.81 148 I 7.54 3.73 1.63 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.05 0.77 0.00 0.00 149 D 8.13 4.31 0.00 2.96 2.89 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 0.00 150 E 8.11 4.47 0.00 2.32 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 2.39 2.75 0.00 151 E 8.19 4.29 0.00 2.08 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 2.59 2.41 0.00 152 G 7.38 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 0.00 153 A 7.77 4.31 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 0.00 154 K 8.48 4.14 0.00 1.91 1.86 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.37 7.81 155 K 7.73 4.16 0.00 1.90 1.83 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.39 7.81