NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3559 8.2644 123.5841 52.2141 19.2179 175.5655 3 R 4.2955 7.8480 120.0319 54.5015 32.9421 175.1407 4 K 4.2432 8.2343 120.1940 58.5650 33.3419 177.3007 5 A 4.1353 7.8185 117.2881 53.4777 18.4074 177.8691 6 L 4.6466 7.7611 116.8946 54.8885 43.8543 177.5786 7 I 4.2233 8.0782 113.0781 62.3586 38.2905 177.7445 8 E 4.1079 8.0042 120.4589 59.0028 29.3583 178.4813 9 K 4.0771 8.0444 117.5124 58.5944 32.3990 177.8940 10 A 3.8908 7.2421 118.9431 54.1948 18.7143 179.3233 11 K 3.9500 7.4776 116.1883 58.8765 32.6584 177.8940 12 R 4.1282 7.4199 117.0928 56.5962 30.6358 177.0153 13 T 4.5074 8.0556 118.8339 62.3285 69.2106 172.8828 14 P 4.0484 0.0000 0.0000 63.4345 31.8043 176.6090 15 K 2.9641 8.8010 111.7982 57.5055 28.8993 171.6358 16 F 3.7427 7.6041 131.3485 56.9985 38.6029 176.4961 17 K 4.2911 8.5656 122.5520 58.3327 33.0857 179.4625 18 V 3.6877 7.5480 112.9724 64.9350 31.4467 178.0262 19 R 4.1460 8.1448 115.8239 58.3193 30.4003 177.7684 20 A 4.2622 7.2537 122.1649 52.1448 15.7847 176.6181 21 Y 4.4512 7.2016 120.1577 55.4709 39.6804 176.6443 22 T 4.1018 8.4299 111.6698 61.5301 69.8586 173.3568 23 R 4.4987 8.3503 118.3484 55.9611 32.3147 173.0125 24 C 3.9445 8.5464 126.6370 59.6793 32.4647 173.9474 25 V 3.8929 7.9432 122.4614 65.5227 30.9679 177.5854 26 R 4.0467 7.5332 117.9857 57.4374 30.7823 175.5867 27 C 4.6441 7.6796 112.0798 56.4704 31.5944 175.0995 28 G 3.6547 8.8613 108.8259 46.6349 0.0000 172.3531 29 R 3.7370 8.4481 121.4095 56.1096 29.5224 176.6399 30 A 4.2149 8.6203 129.2983 54.0990 19.1173 177.5306 31 R 4.3746 7.7705 113.4342 55.9742 32.1645 175.7340 32 S 3.5461 8.4614 114.3934 59.0327 59.9423 170.4002 33 V 4.8911 7.3597 112.8300 59.5485 34.7063 175.3379 34 Y 4.4457 9.5225 124.0915 56.4695 37.6481 176.2456 35 R 3.9641 8.9922 122.8011 59.4422 29.2973 177.5008 36 F 4.0716 8.5954 119.0525 61.1788 39.1318 175.9926 37 F 4.5177 8.9241 117.0727 57.5237 39.0748 176.5785 38 G 4.3483 8.9044 109.5732 46.2606 0.0000 173.0230 39 L 4.9128 7.6392 119.2784 53.0806 45.9422 175.1579 40 C 5.8528 8.4945 113.6436 56.1345 32.1581 174.7638 41 R 3.9845 8.6052 115.9739 59.5367 28.7956 178.8026 42 I 3.7022 7.6871 120.0176 64.2263 37.4307 177.4175 43 C 3.8539 8.1314 116.8073 63.1990 27.9325 175.7727 44 L 3.7379 7.8045 121.0418 58.5223 41.3425 179.2664 45 R 3.8082 7.5012 116.8007 59.3013 30.1250 178.0652 46 E 4.1048 8.4315 118.8155 59.3802 29.5157 179.1885 47 L 3.9406 8.0201 118.6350 57.8866 41.5800 179.2884 48 A 4.1792 7.8452 119.7173 55.7120 18.1919 178.9156 49 H 4.3406 7.6712 113.7340 58.4648 29.0533 177.6627 50 K 4.1885 8.3697 120.1816 58.5437 32.1394 177.5599 51 G 4.0962 8.6433 107.2875 46.3214 0.0000 175.7798 52 Q 4.0741 8.2190 115.0127 56.7080 28.9106 176.4590 53 L 4.7282 8.6197 119.8016 51.9505 42.8842 174.1517 54 P 4.2019 0.0000 0.0000 64.1287 31.9208 176.4547 55 G 4.2755 9.0640 115.6985 45.9980 0.0000 174.0195 56 V 3.5016 7.0975 118.6512 63.1795 31.4352 174.8170 57 R 4.5586 8.1380 125.6966 53.7665 33.3429 174.5653 58 K 4.0228 8.4371 120.8896 55.4554 31.1027 176.2035 59 A 4.2435 8.4530 129.1026 52.0691 19.0321 176.5987 60 S 4.8930 8.4720 112.3228 57.8935 65.0197 177.1215 61 W 4.7850 8.3791 124.3792 56.9551 27.6417 174.3713 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 2 A 8.26 4.36 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 3 R 7.85 4.30 0.00 1.83 1.92 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 4 K 8.23 4.24 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.56 7.81 5 A 7.82 4.14 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 6 L 7.76 4.65 0.00 1.64 1.78 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.08 4.22 1.90 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 1.69 0.87 1.04 0.00 0.00 8 E 8.00 4.11 0.00 2.01 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 2.58 2.31 0.00 9 K 8.04 4.08 0.00 1.78 1.90 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.53 7.81 10 A 7.24 3.89 1.16 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 0.00 0.00 11 K 7.48 3.95 0.00 1.91 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.62 7.81 12 R 7.42 4.13 0.00 1.76 1.82 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 13 T 8.06 4.51 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 14 P 0.00 4.05 0.00 2.09 2.04 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 15 K 8.80 2.96 0.00 1.62 1.32 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.72 1.18 7.81 16 F 7.60 3.74 0.00 3.28 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 17 K 8.57 4.29 0.00 1.96 2.07 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.50 7.81 18 V 7.55 3.69 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 0.73 0.00 0.00 1.05 0.00 0.00 19 R 8.14 4.15 0.00 1.91 2.15 0.00 3.41 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 1.77 1.84 0.00 20 A 7.25 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.20 4.45 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.43 4.10 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 1.26 0.00 0.00 23 R 8.35 4.50 0.00 1.87 1.87 0.00 3.54 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 24 C 8.55 3.94 0.00 3.10 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 25 V 7.94 3.89 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 0.86 0.00 0.00 1.04 0.00 0.00 26 R 7.53 4.05 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.30 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 27 C 7.68 4.64 0.00 3.12 3.06 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 28 G 8.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.45 3.74 0.00 1.88 1.94 0.00 3.16 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 30 A 8.62 4.21 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 31 R 7.77 4.37 0.00 1.81 1.85 0.00 3.36 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 32 S 8.46 3.55 0.00 4.01 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 33 V 7.36 4.89 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 0.93 0.00 0.00 0.97 0.00 0.00 34 Y 9.52 4.45 0.00 3.19 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 35 R 8.99 3.96 0.00 1.98 2.17 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 36 F 8.60 4.07 0.00 3.10 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 37 F 8.92 4.52 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.90 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 0.00 0.00 0.00 0.00 39 L 7.64 4.91 0.00 1.74 1.62 0.98 0.88 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 40 C 8.49 5.85 0.00 3.23 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 41 R 8.61 3.98 0.00 2.15 2.44 0.00 2.99 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 42 I 7.69 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.94 0.91 0.00 0.00 43 C 8.13 3.85 0.00 2.97 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 44 L 7.80 3.74 0.00 1.49 1.89 0.41 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.50 3.81 0.00 2.03 2.04 0.00 3.34 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 46 E 8.43 4.10 0.00 2.19 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 2.58 0.00 47 L 8.02 3.94 0.00 1.77 1.71 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.85 4.18 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 49 H 7.67 4.34 0.00 3.36 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.37 4.19 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 51 G 8.64 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 52 Q 8.22 4.07 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 53 L 8.62 4.73 0.00 1.65 1.73 0.67 1.41 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 54 P 0.00 4.20 0.00 2.09 2.05 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 55 G 9.06 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 56 V 7.10 3.50 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 0.68 0.00 0.00 1.25 0.00 0.00 57 R 8.14 4.56 0.00 1.89 1.76 0.00 3.30 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 58 K 8.44 4.02 0.00 1.74 1.75 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 59 A 8.45 4.24 1.47 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 0.00 0.00 60 S 8.47 4.89 0.00 3.86 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 61 W 8.38 4.79 0.00 3.35 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00