NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4435 8.2893 120.3261 53.7876 33.4228 176.0551 2 P 4.2420 0.0000 0.0000 63.8764 32.6264 175.9097 3 R 4.6893 9.6386 123.4754 54.5803 34.5010 175.3528 4 L 5.1200 8.5894 119.5006 53.2202 44.1511 175.9198 5 K 4.8166 9.2954 126.1459 55.0633 34.0788 175.1090 6 V 4.7527 9.0487 127.7405 60.8829 34.4321 173.8535 7 K 5.0178 8.8151 129.0095 54.3258 35.2099 174.6480 8 L 4.5751 8.8442 130.0254 55.2393 42.2418 176.8615 9 V 4.3054 8.3806 119.0776 60.9634 32.2840 176.4236 10 K 4.6026 7.6491 119.0987 54.1128 35.8433 175.8741 11 S 4.1810 8.4917 117.1247 57.6762 62.8646 172.2811 12 P 4.0529 0.0000 0.0000 63.2578 31.3379 175.6069 13 I 4.1996 7.1559 120.4934 61.9741 37.9656 176.0513 14 G 3.9441 8.9379 111.5353 46.2368 0.0000 172.9925 15 Y 3.9010 7.6670 116.7967 56.1538 38.8625 174.6006 16 P 4.4841 0.0000 0.0000 62.1717 33.5184 178.0001 17 K 4.0147 8.5455 119.1304 60.1231 32.5205 178.9677 18 D 4.4043 8.1077 119.7550 56.8177 40.8581 178.2941 19 Q 4.2200 8.0145 118.3134 58.5391 29.1754 178.0682 20 K 3.9660 8.4468 119.5733 59.4749 31.9825 179.1526 21 A 4.0063 8.3052 120.8275 54.9540 18.1912 179.5228 22 A 4.1571 7.5479 119.1230 54.9436 18.5519 179.9120 23 L 3.9007 7.8284 117.3592 57.7051 41.7032 179.7354 24 K 3.9231 8.2179 119.4256 59.4883 31.9458 178.7808 25 A 4.0316 8.0610 120.1805 55.0327 18.3803 179.1297 26 L 4.1981 8.0274 116.1938 55.3068 41.8391 177.7581 27 G 3.7332 7.7947 106.5208 46.2446 0.0000 173.4447 28 L 4.5149 7.9188 120.3967 52.9385 42.1451 176.2292 29 R 4.4780 9.0687 124.7231 56.2996 31.8799 176.0958 30 R 4.6775 7.7065 112.4373 53.9906 32.3429 174.0445 31 L 4.1044 8.4462 118.7637 57.0167 41.9502 177.4477 32 Q 3.5137 9.0698 119.8512 56.4565 27.3965 173.5883 33 Q 4.2105 7.8274 120.5134 56.1899 30.0558 174.8462 34 E 5.3504 8.6934 124.1288 54.8406 33.3727 175.3728 35 R 4.7039 8.7543 119.1519 54.7248 35.0951 174.1970 36 V 4.7951 8.4035 122.2070 61.2777 33.2932 174.7920 37 L 4.9363 9.0944 127.2008 52.5583 45.9482 175.9068 38 E 4.1743 8.7979 121.9372 56.4083 30.2804 177.1451 39 D 4.4318 8.8413 123.6251 54.4267 40.0056 175.3551 40 T 4.7037 7.8205 116.0942 58.3469 73.1993 172.6872 41 P 4.2231 0.0000 0.0000 65.8084 31.0350 178.7597 42 A 3.9914 7.9795 118.9570 55.0353 18.2443 179.7226 43 I 3.7249 7.4371 116.9792 64.5796 37.2692 178.5491 44 R 4.0184 8.0728 119.0221 59.4716 29.7253 179.3634 45 G 3.5980 8.0398 103.9886 47.9387 0.0000 175.1525 46 N 4.5492 7.9843 118.7494 55.6811 38.7492 177.7875 47 V 3.6713 8.2308 120.2999 66.0899 31.4086 177.8833 48 E 4.0180 8.2139 117.3162 59.4241 29.3023 179.2975 49 K 4.2691 7.6782 117.8625 58.3100 32.2500 177.8989 50 V 4.5007 7.6579 111.7164 60.5752 32.8705 177.4565 51 A 3.9454 8.3983 125.7206 55.7770 18.1306 179.8722 52 H 4.3898 8.1411 109.7079 56.9394 29.3845 175.5454 53 L 4.5901 8.1992 119.4642 54.6689 43.1578 176.4611 54 V 4.9639 7.3983 110.8602 59.3312 35.4543 174.8870 55 R 4.6449 8.9800 123.3372 54.5737 32.6465 174.6525 56 V 4.9703 8.3673 125.2625 61.1382 33.9626 174.2084 57 E 4.7817 9.1293 124.2763 54.7943 33.7070 174.0443 58 V 4.5648 8.3073 120.7441 62.1112 32.7672 175.1090 59 V 4.5829 8.4346 121.0576 59.5269 36.0653 175.7721 60 E 4.1729 8.6087 120.9006 56.7418 29.5612 175.6366 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 8.29 4.44 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.24 0.00 2.14 2.10 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 3 R 9.64 4.69 0.00 1.76 2.07 0.00 3.08 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 4 L 8.59 5.12 0.00 1.56 1.55 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.30 4.82 0.00 1.78 1.66 0.00 1.56 0.00 0.00 1.93 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.36 7.81 6 V 9.05 4.75 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 0.87 0.00 0.00 0.92 0.00 0.00 7 K 8.82 5.02 0.00 1.82 1.59 0.00 1.82 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.32 7.81 8 L 8.84 4.58 0.00 1.78 1.53 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.38 4.31 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 0.76 0.00 0.00 0.98 0.00 0.00 10 K 7.65 4.60 0.00 1.58 1.56 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 S 8.49 4.18 0.00 3.82 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 12 P 0.00 4.05 0.00 2.19 2.10 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 13 I 7.16 4.20 1.93 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 0.59 0.95 0.00 0.00 14 G 8.94 3.94 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 0.00 0.00 0.00 15 Y 7.67 3.90 0.00 3.20 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 16 P 0.00 4.48 0.00 2.15 1.94 0.00 3.76 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 17 K 8.55 4.01 0.00 1.99 2.09 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 18 D 8.11 4.40 0.00 2.73 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 19 Q 8.01 4.22 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 20 K 8.45 3.97 0.00 1.94 1.90 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.52 1.59 7.81 21 A 8.31 4.01 1.40 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 0.00 0.00 22 A 7.55 4.16 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 23 L 7.83 3.90 0.00 1.87 1.90 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.22 3.92 0.00 2.05 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 A 8.06 4.03 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 26 L 8.03 4.20 0.00 1.75 1.72 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.79 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 28 L 7.92 4.51 0.00 1.60 1.59 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.07 4.48 0.00 1.72 2.05 0.00 3.24 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 30 R 7.71 4.68 0.00 1.96 1.94 0.00 3.04 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 31 L 8.45 4.10 0.00 1.63 1.67 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.07 3.51 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 33 Q 7.83 4.21 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.69 5.35 0.00 1.84 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 2.18 2.28 0.00 35 R 8.75 4.70 0.00 1.67 1.74 0.00 3.24 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 0.00 36 V 8.40 4.80 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 0.80 0.00 0.00 0.93 0.00 0.00 37 L 9.09 4.94 0.00 1.52 1.47 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.80 4.17 0.00 1.83 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 2.31 2.37 0.00 39 D 8.84 4.43 0.00 2.63 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 40 T 7.82 4.70 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 1.26 0.00 0.00 41 P 0.00 4.22 0.00 2.18 2.15 0.00 3.60 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 2.16 0.00 42 A 7.98 3.99 1.31 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 43 I 7.44 3.72 2.00 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 1.52 1.03 0.91 0.00 0.00 44 R 8.07 4.02 0.00 1.86 1.99 0.00 3.13 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 1.65 1.94 0.00 45 G 8.04 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.98 4.55 0.00 2.97 2.87 0.00 0.00 6.65 7.52 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 47 V 8.23 3.67 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 1.02 0.00 0.00 0.96 0.00 0.00 48 E 8.21 4.02 0.00 2.15 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 2.43 0.00 49 K 7.68 4.27 0.00 1.82 1.90 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.71 7.81 50 V 7.66 4.50 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 0.78 0.00 0.00 0.98 0.00 0.00 51 A 8.40 3.95 1.25 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 0.00 0.00 0.00 52 H 8.14 4.39 0.00 3.22 3.40 0.00 5.87 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.20 4.59 0.00 1.56 1.52 0.38 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.40 4.96 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 0.61 0.00 0.00 0.91 0.00 0.00 55 R 8.98 4.64 0.00 1.81 1.73 0.00 3.03 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 56 V 8.37 4.97 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 0.88 0.00 0.00 0.92 0.00 0.00 57 E 9.13 4.78 0.00 2.00 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 2.17 2.23 0.00 58 V 8.31 4.56 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 0.85 0.00 0.00 0.93 0.00 0.00 59 V 8.43 4.58 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 0.63 0.00 0.00 0.97 0.00 0.00 60 E 8.61 4.17 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00