NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4528 8.1627 118.3249 55.3924 33.6458 172.9931 2 Q 4.8402 8.2347 119.4408 52.4329 31.4105 172.6566 3 I 4.5654 9.0347 120.1616 59.0250 42.1590 173.5187 4 F 5.3766 8.7805 120.9000 55.7300 42.3505 175.0756 5 V 4.7540 8.8303 121.4702 61.3464 34.1762 174.2518 6 K 5.2775 9.0691 128.4482 54.8586 34.8186 176.7474 7 T 4.8162 8.5118 113.5641 59.9811 69.9151 175.7053 8 L 4.1735 8.4114 121.0185 56.8676 41.5185 178.1185 9 T 4.2546 7.4607 114.6067 63.3300 69.1369 175.5798 10 G 4.0494 8.7292 110.0057 44.7283 0.0000 174.2890 11 K 3.9222 8.0345 118.7468 57.6764 33.1041 175.7628 12 T 5.0596 8.5159 119.9118 61.8190 71.6747 173.1767 13 I 4.5304 8.9040 127.1506 59.8753 39.9152 174.6073 14 T 4.7663 8.5787 123.5033 62.1927 69.8117 174.0635 15 L 4.8190 8.7873 128.7837 53.4354 45.3360 175.8329 16 E 5.1242 8.6405 119.8567 55.1012 31.7254 175.2512 17 V 4.6550 8.7010 117.4740 59.1162 36.5704 174.2353 18 E 4.7534 9.0379 120.1893 53.9601 32.3290 176.2447 19 P 4.1817 0.0000 0.0000 65.2889 31.5442 178.0483 20 S 4.5788 7.8239 110.0765 58.0863 63.8614 174.0756 21 D 4.4199 7.9962 123.3894 54.6896 41.3447 176.3806 22 T 4.7078 8.2352 113.8969 61.2056 71.3296 175.7929 23 I 3.7378 8.7471 122.9847 64.4526 36.9653 178.5266 24 E 3.9348 8.1662 120.0840 59.3843 29.5337 178.5045 25 N 4.3787 8.1432 116.5555 56.3453 38.4855 177.6066 26 V 3.5861 7.6882 119.1203 65.9504 31.5767 178.3096 27 K 4.2992 8.4078 119.4038 58.8524 31.8400 179.1857 28 A 3.9833 8.4800 121.5927 55.1153 18.2643 179.8889 29 K 4.2340 7.9935 118.3581 59.1245 32.1073 179.7219 30 I 3.7445 7.9425 120.3606 64.2334 36.8860 178.2126 31 Q 4.1301 8.2934 122.1041 58.7060 28.9131 177.9105 32 D 4.3603 8.0477 119.8993 57.4071 40.7002 178.7746 33 K 4.3255 7.7993 116.7611 57.6667 32.4584 177.5607 34 E 4.4806 8.3275 115.6642 54.9744 31.7432 177.0040 35 G 3.8935 8.5386 106.1571 45.1442 0.0000 173.1903 36 I 4.0457 7.4021 121.5361 59.5773 37.8046 173.8301 37 P 4.5214 0.0000 0.0000 61.7846 32.2130 175.4723 38 P 4.2646 0.0000 0.0000 65.8263 31.3907 178.4438 39 D 4.4718 8.1558 115.6462 56.2546 39.2528 177.0803 40 Q 4.2936 8.1491 117.0712 56.2258 29.2342 174.5857 41 Q 4.8789 8.3372 119.2662 53.9913 31.4262 174.4453 42 R 4.6912 9.0741 124.3812 54.4479 33.0256 174.1425 43 L 5.2901 8.4885 125.2843 53.0924 44.8781 175.3127 44 I 5.1071 8.8301 123.0666 59.5030 41.4908 174.1870 45 F 4.9476 8.8160 127.6497 56.5798 42.3815 174.5648 46 A 3.5323 8.7808 129.4399 53.1764 15.5823 178.0383 47 G 3.9452 7.8659 106.8048 45.8030 0.0000 173.3165 48 K 4.4868 7.5371 120.1839 54.6710 33.4966 175.9532 49 Q 4.4996 8.5435 122.7441 56.0664 29.4820 175.4132 50 L 4.2716 8.5478 123.8199 53.2060 43.4628 176.0293 51 E 4.3700 9.3303 123.8674 55.6275 30.8930 177.0076 52 D 4.4143 9.2607 124.9945 57.7712 40.9648 179.3937 53 G 3.7964 7.9851 104.2359 46.9631 0.0000 173.8804 54 R 4.2838 8.0495 120.0046 55.7241 31.3460 175.6496 55 T 4.9831 7.9542 109.7223 59.7054 71.3497 175.8405 56 L 4.0519 8.6230 122.5227 58.0466 41.9706 180.3917 57 S 4.1452 8.0895 112.9726 61.1915 63.1335 175.9959 58 D 4.3401 7.6708 119.9812 56.7850 40.5493 176.9026 59 Y 4.5898 7.2376 113.3703 56.9440 38.2308 175.0819 60 N 4.2105 8.2025 116.4871 54.2633 36.6788 174.3697 61 I 3.6641 7.6183 118.5641 60.4829 38.1408 175.6769 62 Q 4.6417 8.5097 126.0076 53.7656 32.2425 175.2993 63 K 4.0150 8.3685 119.6311 56.8338 31.7192 173.3949 64 E 4.0605 9.6887 123.0430 55.6053 27.9697 175.0958 65 S 4.5806 7.9155 115.7095 59.0414 64.3570 173.2489 66 T 5.1434 8.7193 118.5240 62.1351 70.3844 174.0313 67 L 4.9383 9.3869 126.9843 53.8656 44.5904 175.1503 68 H 5.4101 9.0672 117.6364 54.0373 32.1357 172.6475 69 L 5.1003 9.0465 125.4771 53.5477 44.1085 175.4967 70 V 4.7319 8.9156 118.9235 59.0625 35.8860 175.1766 71 L 4.5420 8.6846 123.4548 55.3384 42.4211 176.7000 72 R 4.5705 8.5134 122.0001 54.5600 31.6231 176.3601 73 L 4.4339 8.4391 124.0944 53.3394 43.1641 176.5866 74 R 4.2868 8.3795 119.6556 56.2351 31.6152 175.7911 75 G 4.1325 7.9935 110.2991 45.3536 0.0000 173.0519 76 G 3.7330 8.9195 114.7708 45.5235 0.0000 172.7133 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 M 8.16 4.45 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 Q 8.23 4.84 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 1.64 2.22 0.00 3 I 9.03 4.57 1.86 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 1.09 0.56 0.78 0.00 0.00 4 F 8.78 5.38 0.00 3.05 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 5 V 8.83 4.75 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 6 K 9.07 5.28 0.00 1.68 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.37 7.81 7 T 8.51 4.82 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 8 L 8.41 4.17 0.00 1.64 1.76 0.91 0.83 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 9 T 7.46 4.25 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 1.25 0.00 0.00 10 G 8.73 4.05 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 0.00 0.00 0.00 11 K 8.03 3.92 0.00 1.74 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.51 7.81 12 T 8.52 5.06 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 1.30 0.00 0.00 13 I 8.90 4.53 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 1.25 0.72 0.93 0.00 0.00 14 T 8.58 4.77 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 1.21 0.00 0.00 15 L 8.79 4.82 0.00 1.53 1.45 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 5.12 0.00 1.73 1.72 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 2.13 1.87 0.00 17 V 8.70 4.66 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 0.79 0.00 0.00 0.85 0.00 0.00 18 E 9.04 4.75 0.00 1.87 1.79 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 2.20 2.22 0.00 19 P 0.00 4.18 0.00 2.15 2.08 0.00 3.56 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 2.09 2.05 0.00 20 S 7.82 4.58 0.00 3.96 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 21 D 8.00 4.42 0.00 2.82 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 22 T 8.24 4.71 4.54 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 1.27 0.00 0.00 23 I 8.75 3.74 2.21 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.11 0.95 0.00 0.00 24 E 8.17 3.93 0.00 2.13 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 0.00 2.31 2.40 0.00 25 N 8.14 4.38 0.00 2.94 2.85 0.00 0.00 6.70 7.75 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 26 V 7.69 3.59 2.25 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 1.08 0.00 0.00 0.94 0.00 0.00 27 K 8.41 4.30 0.00 2.02 1.84 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.48 7.81 28 A 8.48 3.98 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 0.00 0.00 0.00 0.00 0.00 29 K 7.99 4.23 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 30 I 7.94 3.74 2.14 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 1.41 0.89 0.95 0.00 0.00 31 Q 8.29 4.13 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.05 4.36 0.00 2.99 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 33 K 7.80 4.33 0.00 1.75 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 34 E 8.33 4.48 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 2.34 2.37 0.00 35 G 8.54 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 36 I 7.40 4.05 1.87 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.52 0.00 2.37 1.97 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.24 0.00 3.61 0.00 0.00 3.90 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 39 D 8.16 4.47 0.00 2.78 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 40 Q 8.15 4.29 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 8.34 4.88 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 42 R 9.07 4.69 0.00 1.82 1.91 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.49 5.29 0.00 1.57 1.49 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.83 5.11 1.91 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 1.11 0.79 0.94 0.00 0.00 45 F 8.82 4.95 0.00 2.97 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 46 A 8.78 3.53 0.82 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 47 G 7.87 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 0.00 0.00 0.00 48 K 7.54 4.49 0.00 2.09 1.78 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.26 7.81 49 Q 8.54 4.50 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.55 4.27 0.00 1.33 1.22 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.33 4.37 0.00 2.06 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 2.36 2.40 0.00 52 D 9.26 4.41 0.00 2.75 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 53 G 7.99 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 0.00 0.00 0.00 54 R 8.05 4.28 0.00 2.24 1.71 0.00 3.28 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 55 T 7.95 4.98 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 1.25 0.00 0.00 56 L 8.62 4.05 0.00 1.88 1.70 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.09 4.15 0.00 4.02 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 0.00 58 D 7.67 4.34 0.00 2.71 2.36 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 59 Y 7.24 4.59 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.21 0.00 2.97 2.99 0.00 0.00 6.90 7.13 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 61 I 7.62 3.66 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.59 0.00 0.00 62 Q 8.51 4.64 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 63 K 8.37 4.01 0.00 1.77 1.63 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.05 7.81 64 E 9.69 4.06 0.00 2.05 2.33 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 2.36 2.69 0.00 65 S 7.92 4.58 0.00 3.76 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 T 8.72 5.14 4.34 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 1.16 0.00 0.00 67 L 9.39 4.94 0.00 1.58 1.61 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.07 5.41 0.00 3.05 3.17 0.00 5.59 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 69 L 9.05 5.10 0.00 1.74 1.53 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.92 4.73 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 0.71 0.00 0.00 0.97 0.00 0.00 71 L 8.68 4.54 0.00 1.53 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.57 0.00 1.69 1.85 0.00 3.16 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 73 L 8.44 4.43 0.00 1.63 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.38 4.29 0.00 1.80 1.87 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 7.99 4.13 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 0.00 0.00 0.00 76 G 8.92 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 0.00 0.00 0.00