NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3971 0.0000 0.0000 62.4890 32.7146 177.0988 9 E 3.7588 8.6374 121.5570 57.0987 29.4495 177.1610 10 A 3.9921 8.2447 123.3558 55.5325 18.8041 179.3549 11 L 3.9809 7.8492 116.5535 58.2682 41.7189 179.7987 12 T 3.8654 7.7772 115.2783 66.4183 68.4267 176.8997 13 V 3.5424 7.8742 120.1084 65.6817 31.5768 177.9101 14 A 3.8973 8.5017 120.6509 55.2389 18.2927 179.1089 15 A 3.8010 7.8675 119.1706 55.9909 18.3395 180.0675 16 T 3.8235 7.7634 113.7536 66.7791 68.4186 176.8974 17 E 3.9697 8.2367 120.6082 59.2797 29.4044 179.5525 18 V 3.6125 8.3101 118.6649 66.1602 31.6395 178.2715 19 R 3.9035 8.0140 117.7967 59.2655 29.7906 179.0861 20 R 4.0746 7.9217 118.5387 59.4060 30.0917 178.6140 21 I 3.7182 8.0957 120.0259 64.1493 36.9881 178.3615 22 R 3.8641 8.2565 119.7448 59.5642 29.9006 178.1212 23 D 4.3580 8.1314 118.6310 57.6175 40.7805 179.0296 24 R 3.8672 8.2547 118.8410 59.2223 30.1029 178.4335 25 A 4.0111 8.0973 120.9597 55.1653 18.4040 179.6365 26 I 3.8299 8.0479 111.5756 63.6635 37.7740 178.5479 27 Q 3.9653 8.3371 120.5817 58.9503 28.2518 178.6122 28 S 4.1460 8.3756 115.6369 61.4984 62.9281 176.0042 29 D 4.3967 8.1411 121.2490 57.1970 40.8673 178.2281 30 A 4.0726 7.9935 119.7279 54.9448 18.3593 179.0653 31 Q 4.0535 8.1561 117.8508 58.7254 29.5106 177.8110 32 V 4.1905 7.5604 110.7834 61.1614 32.4063 177.5697 33 A 4.0763 7.7304 123.0435 54.2851 17.9850 177.6499 34 P 4.1539 0.0000 0.0000 66.0579 31.4099 178.4367 35 M 4.2337 8.0629 117.4235 58.5187 32.1425 178.9124 36 T 3.9718 7.9021 109.5995 64.4413 68.8478 175.5253 37 T 4.4454 8.0805 110.0528 61.9338 69.3769 174.9577 38 A 4.5720 7.1499 123.9302 51.7458 19.2974 176.8823 39 V 3.6450 7.7930 118.4231 64.3138 31.8491 175.6032 40 R 4.6526 8.2415 125.8644 53.4832 32.0859 174.3725 41 P 4.3355 0.0000 0.0000 62.1756 31.8175 174.7359 42 P 4.2891 0.0000 0.0000 65.0727 31.4113 175.4474 43 A 4.6548 7.4395 116.7785 50.7115 22.1253 175.0615 44 A 4.4225 8.4219 119.4213 52.5640 19.5804 177.9214 45 D 4.6470 7.6373 117.0394 52.6743 41.7139 176.9711 46 L 3.9731 8.3022 121.1583 58.1165 42.1094 179.0834 47 V 3.5494 7.7930 117.8161 65.9851 31.5598 177.8340 48 S 4.1142 8.4701 114.9228 61.8322 62.6731 176.6539 49 E 3.9837 8.0193 120.5335 59.5004 29.2477 179.7097 50 K 4.0059 8.3379 118.3783 59.2698 32.0536 179.3777 51 A 3.9700 8.1681 120.9719 55.0872 18.4234 179.5781 52 A 4.0008 8.0916 119.3706 55.4611 18.5592 180.0116 53 T 3.8151 8.2152 114.4325 66.7153 68.5732 176.3099 54 F 4.0174 8.3119 122.4556 61.6131 39.3834 176.9625 55 L 4.1997 8.1704 118.3141 58.1408 41.4620 179.8809 56 V 3.6533 7.8465 117.7183 65.9833 31.3576 178.0357 57 E 3.9444 8.1084 118.0298 59.3202 29.3553 178.4057 58 Y 3.9505 8.2708 119.8277 60.6906 38.7633 178.1797 59 A 4.0455 8.2438 121.5063 55.2899 18.5235 179.7928 60 R 3.8710 7.9521 116.4982 59.4871 30.1542 179.5479 61 K 3.9647 8.3131 118.4592 59.4014 31.9443 178.8441 62 Y 3.9303 7.8816 120.0529 60.6398 38.8146 178.1907 63 R 3.9225 8.1358 119.1448 59.3133 30.1154 179.0980 64 Q 3.9690 8.0027 117.8842 58.9797 28.6979 178.6823 65 T 3.7374 7.6566 116.9238 66.6267 68.4450 176.5357 66 I 3.5517 7.3736 120.2669 63.7160 37.9828 177.7584 67 A 3.9221 7.8033 121.2651 54.9166 18.1575 179.5250 68 A 3.8906 7.9795 119.2248 55.2606 18.5095 179.7678 69 A 3.9522 7.9750 118.9876 55.0008 18.2631 179.7836 70 A 3.9526 8.0511 119.7931 55.0525 18.4306 179.8999 71 V 3.4807 7.5903 116.3211 66.2702 31.6793 178.1647 72 V 3.6253 7.7860 117.8265 66.2501 31.1754 177.9823 73 L 4.1521 8.0354 118.3723 57.9756 41.4562 179.4277 74 E 4.0215 8.4973 118.7263 59.3832 29.3763 179.2558 75 E 3.9997 8.7571 119.1575 59.2147 29.5181 179.1972 76 F 4.3927 8.4381 120.4519 61.4679 39.4259 176.9485 77 A 3.7017 8.3474 120.7885 55.4671 18.0127 179.1295 78 H 4.0679 8.5239 116.5592 59.2149 30.0464 177.3353 79 A 4.0186 8.1458 122.7565 55.1502 17.9970 179.4695 80 L 3.9843 7.6051 116.1069 57.9411 41.6760 178.5018 81 T 4.0914 7.2534 116.1916 65.0946 68.5413 176.1070 82 T 3.9992 8.1556 117.8549 65.1868 67.7505 174.3937 83 G 3.7236 7.6726 111.9304 45.6227 0.0000 173.1941 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 8 P 0.00 4.40 0.00 2.22 2.25 0.00 3.65 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 1.96 1.99 0.00 9 E 8.64 3.76 0.00 2.07 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 2.38 2.37 0.00 10 A 8.24 3.99 1.27 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 0.00 0.00 11 L 7.85 3.98 0.00 1.66 1.82 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.78 3.87 4.37 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 0.00 0.00 0.00 1.18 0.00 0.00 13 V 7.87 3.54 2.21 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 1.00 0.00 0.00 0.99 0.00 0.00 14 A 8.50 3.90 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 15 A 7.87 3.80 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.82 4.37 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 0.00 0.00 0.00 1.20 0.00 0.00 17 E 8.24 3.97 0.00 2.17 2.00 0.00 0.00 0.00 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 2.31 0.00 18 V 8.31 3.61 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 1.28 0.00 0.00 1.00 0.00 0.00 19 R 8.01 3.90 0.00 2.12 1.96 0.00 3.25 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 R 7.92 4.07 0.00 1.91 2.09 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 21 I 8.10 3.72 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 1.43 0.66 0.94 0.00 0.00 22 R 8.26 3.86 0.00 1.98 2.10 0.00 3.25 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 1.63 1.82 0.00 23 D 8.13 4.36 0.00 2.93 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 24 R 8.25 3.87 0.00 1.88 2.06 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 25 A 8.10 4.01 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 26 I 8.05 3.83 1.86 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 0.69 0.89 0.00 0.00 27 Q 8.34 3.97 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 28 S 8.38 4.15 0.00 4.06 4.15 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 29 D 8.14 4.40 0.00 2.83 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 30 A 7.99 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.05 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 32 V 7.56 4.19 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 0.90 0.00 0.00 1.04 0.00 0.00 33 A 7.73 4.08 1.41 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 0.00 0.00 34 P 0.00 4.15 0.00 2.06 2.17 0.00 3.95 0.00 0.00 3.67 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 35 M 8.06 4.23 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 36 T 7.90 3.97 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 1.21 0.00 0.00 37 T 8.08 4.45 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 1.24 0.00 0.00 38 A 7.15 4.57 1.33 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 0.00 0.00 0.00 0.00 0.00 39 V 7.79 3.64 2.12 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 0.86 0.00 0.00 1.02 0.00 0.00 40 R 8.24 4.65 0.00 1.83 1.83 0.00 3.44 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 41 P 0.00 4.34 0.00 2.13 2.00 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 42 P 0.00 4.29 0.00 2.03 2.13 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 43 A 7.44 4.65 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 44 A 8.42 4.42 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 45 D 7.64 4.65 0.00 2.88 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 46 L 8.30 3.97 0.00 1.78 1.70 0.93 0.78 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 47 V 7.79 3.55 2.26 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 0.99 0.00 0.00 0.92 0.00 0.00 48 S 8.47 4.11 0.00 4.12 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 49 E 8.02 3.98 0.00 2.19 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 2.34 2.51 0.00 50 K 8.34 4.01 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 51 A 8.17 3.97 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 52 A 8.09 4.00 1.45 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 53 T 8.22 3.82 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 1.25 0.00 0.00 54 F 8.31 4.02 0.00 3.26 3.19 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 0.00 0.00 0.00 0.00 55 L 8.17 4.20 0.00 2.00 1.82 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.85 3.65 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 1.09 0.00 0.00 1.06 0.00 0.00 57 E 8.11 3.94 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 58 Y 8.27 3.95 0.00 2.78 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 8.24 4.05 1.45 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 60 R 7.95 3.87 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 61 K 8.31 3.96 0.00 1.78 1.76 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.56 7.81 62 Y 7.88 3.93 0.00 2.89 3.08 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 0.00 0.00 0.00 63 R 8.14 3.92 0.00 2.07 1.92 0.00 3.21 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 64 Q 8.00 3.97 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 65 T 7.66 3.74 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 1.10 0.00 0.00 66 I 7.37 3.55 1.29 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 1.34 1.23 0.73 0.00 0.00 67 A 7.80 3.92 1.33 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 0.00 0.00 0.00 0.00 0.00 68 A 7.98 3.89 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 69 A 7.98 3.95 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 70 A 8.05 3.95 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 71 V 7.59 3.48 2.24 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 0.93 0.00 0.00 0.96 0.00 0.00 72 V 7.79 3.63 2.21 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 0.95 0.00 0.00 0.97 0.00 0.00 73 L 8.04 4.15 0.00 2.08 1.75 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.50 4.02 0.00 2.14 2.00 0.00 0.00 0.00 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 2.60 0.00 75 E 8.76 4.00 0.00 2.01 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 2.33 2.50 0.00 76 F 8.44 4.39 0.00 3.11 3.28 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 77 A 8.35 3.70 1.35 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 78 H 8.52 4.07 0.00 3.27 3.51 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 79 A 8.15 4.02 1.49 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 0.00 0.00 80 L 7.61 3.98 0.00 1.59 1.73 0.30 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.25 4.09 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 1.15 0.00 0.00 82 T 8.16 4.00 4.08 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 0.00 0.00 1.21 0.00 0.00 83 G 7.67 3.72 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 0.00 0.00 0.00