NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2629 0.0000 0.0000 62.8490 32.2782 175.9685 4 R 4.0575 8.6404 119.6940 54.6328 31.3365 173.9595 5 P 4.2408 0.0000 0.0000 64.7908 32.7121 177.6106 6 L 3.8756 7.8774 117.2683 57.6131 41.5334 179.1726 7 D 4.4226 9.0519 120.4498 57.0117 40.5209 178.8555 8 V 3.5463 7.6187 117.7110 65.8094 31.8486 177.2840 9 L 3.9318 7.7207 120.0938 57.9703 41.8516 178.1542 10 N 4.5474 8.2590 117.3603 57.0739 38.7192 176.6763 11 R 4.1240 7.7306 115.0273 57.6281 30.4082 177.1855 12 S 4.6921 8.0312 114.6260 57.7961 64.1063 174.2335 13 L 4.2271 8.1572 121.2525 55.9330 41.8170 176.5047 14 K 3.9265 8.5050 117.8688 57.1541 30.4653 175.0724 15 S 4.8690 7.5168 110.6213 56.3731 67.7739 171.8377 16 P 5.0550 0.0000 0.0000 63.1350 32.7217 175.6735 17 V 4.6601 8.8439 114.4740 60.0624 36.9784 173.8428 18 I 4.5018 9.2373 124.1483 59.7257 39.6310 174.9833 19 V 4.4352 8.8461 127.5381 61.1630 33.7521 173.9757 20 R 4.4833 7.9903 129.5599 55.0878 31.4326 175.5091 21 L 5.0977 8.3452 125.5692 52.4288 45.1237 176.1951 22 K 4.0824 8.3773 120.0651 57.9264 32.3096 178.2921 23 G 3.8818 8.3848 110.1268 45.0785 0.0000 172.7438 24 G 4.2229 8.1958 107.1106 46.1839 0.0000 174.7057 25 R 4.0274 7.5033 117.6067 55.1966 31.2714 174.5185 26 E 5.2355 8.5900 119.5626 55.0578 33.7129 173.6592 27 F 5.0768 9.4840 123.7560 55.7095 42.7632 174.7825 28 R 4.8470 8.9046 121.2456 55.3820 33.2859 174.3451 29 G 4.0890 8.2628 110.6454 46.2866 0.0000 170.2642 30 T 5.0259 8.6658 117.0170 62.0657 70.6738 174.4009 31 L 4.4591 9.2645 129.0796 55.1836 42.6920 176.4253 32 D 4.8861 8.9445 124.9028 54.1778 43.5377 174.9687 33 G 4.1354 7.4368 103.6932 46.1526 0.0000 171.3860 34 Y 5.8089 7.9491 116.7185 57.4502 40.1078 172.1465 35 D 4.8646 8.1713 118.7828 51.1644 42.8965 175.9172 36 I 3.3577 8.5160 112.3873 64.6779 37.0552 176.5350 37 H 4.4411 8.1248 115.3627 56.0884 29.1768 175.3594 38 M 3.2215 9.1854 120.1390 56.3156 31.0839 175.7716 39 N 4.9808 8.2959 113.7358 52.8854 39.9977 174.1890 40 L 5.3621 9.0517 121.0029 52.9853 46.4792 175.7170 41 V 4.7506 8.3487 119.5440 61.3719 34.4467 174.3005 42 L 5.4078 8.9505 127.6692 52.9311 45.4297 175.5131 43 L 5.0225 8.7403 121.1342 53.4302 45.1275 176.2023 44 D 4.3579 7.8667 120.4549 55.6622 39.1695 173.1120 45 A 5.1875 7.8760 120.3458 50.4214 22.9918 176.7863 46 E 4.9542 9.3251 119.5479 54.4321 32.8809 174.8858 47 E 3.8491 8.4996 125.0161 55.0303 31.4667 174.8920 48 I 4.9683 8.7517 127.4569 59.4507 41.1977 174.3195 49 Q 4.3974 8.3455 126.5823 54.7646 31.6780 174.6839 50 N 4.1185 10.2089 122.1037 54.2930 36.3215 175.2475 51 G 4.0206 8.4385 105.5813 44.9183 0.0000 173.5775 52 E 4.4025 8.0394 119.0457 53.9823 30.9665 175.4260 53 V 3.6570 8.2185 123.2343 62.9746 30.8503 175.6184 54 V 3.7725 8.6748 128.2216 65.3907 31.7650 176.0608 55 R 4.6792 7.6749 119.3097 54.3520 33.9857 172.8120 56 K 4.8844 8.6624 125.7273 54.7818 34.1018 175.4908 57 V 4.5942 8.5348 119.8257 59.6617 35.6693 176.7668 58 G 3.9111 8.8367 109.6856 48.0633 0.0000 173.0843 59 S 5.2651 7.8281 113.1799 57.5555 65.5119 173.9190 60 V 4.5084 8.5910 118.1133 60.1074 36.4945 173.2177 61 V 4.6381 8.3237 124.3481 61.2650 33.3382 174.5221 62 I 4.3770 8.3384 129.0167 59.2428 39.7778 175.5901 63 R 4.4499 8.5167 126.2707 55.7551 30.9804 177.7128 64 G 3.8236 9.7799 112.1698 47.6102 0.0000 175.0427 65 D 4.4042 8.1164 118.5851 56.4720 41.3012 176.9393 66 T 4.4178 7.8132 107.0283 61.1638 69.7935 173.9510 67 V 4.2577 8.1455 123.8433 62.7332 32.2950 175.3586 68 V 4.1403 8.7356 128.5875 64.8568 32.1018 175.5517 69 F 5.0078 7.2831 112.7628 56.1404 41.0888 172.5219 70 V 5.3178 8.5310 118.8267 61.4691 34.3542 174.4004 71 S 4.8865 9.1438 121.4591 56.0799 66.6148 171.9992 72 P 5.0085 0.0000 0.0000 62.0011 32.4249 176.0977 73 A 4.2058 8.3576 121.6379 52.5197 18.5632 177.4566 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 3 P 0.00 4.26 0.00 2.05 2.08 0.00 3.68 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 1.92 2.07 0.00 4 R 8.64 4.06 0.00 1.90 2.03 0.00 3.25 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 5 P 0.00 4.24 0.00 2.20 1.99 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 6 L 7.88 3.88 0.00 1.68 1.77 0.87 1.08 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 7 D 9.05 4.42 0.00 2.74 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 8 V 7.62 3.55 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 0.80 0.00 0.00 0.91 0.00 0.00 9 L 7.72 3.93 0.00 1.72 1.30 0.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.26 4.55 0.00 3.06 3.07 0.00 0.00 7.26 7.20 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 11 R 7.73 4.12 0.00 2.02 1.98 0.00 3.18 0.00 0.00 3.48 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 12 S 8.03 4.69 0.00 3.98 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 13 L 8.16 4.23 0.00 1.69 1.67 1.03 1.00 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 14 K 8.50 3.93 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 15 S 7.52 4.87 0.00 4.01 3.71 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 16 P 0.00 5.05 0.00 2.14 2.19 0.00 3.66 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 2.01 0.00 17 V 8.84 4.66 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 0.91 0.00 0.00 0.97 0.00 0.00 18 I 9.24 4.50 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.98 0.00 0.00 19 V 8.85 4.44 2.15 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 0.86 0.00 0.00 0.95 0.00 0.00 20 R 7.99 4.48 0.00 0.99 0.66 0.00 3.09 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 1.33 1.40 0.00 21 L 8.35 5.10 0.00 1.64 1.66 1.10 0.60 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 22 K 8.38 4.08 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.59 7.81 23 G 8.38 3.88 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 0.00 0.00 0.00 24 G 8.20 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.50 4.03 0.00 1.88 1.92 0.00 3.27 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 26 E 8.59 5.24 0.00 1.98 1.66 0.00 0.00 0.00 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 2.32 0.00 27 F 9.48 5.08 0.00 2.95 2.90 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 0.00 0.00 0.00 28 R 8.90 4.85 0.00 1.69 1.83 0.00 3.14 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 29 G 8.26 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 30 T 8.67 5.03 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 1.27 0.00 0.00 31 L 9.26 4.46 0.00 1.77 1.75 1.09 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.94 4.89 0.00 2.65 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 33 G 7.44 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 34 Y 7.95 5.81 0.00 2.93 2.90 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 0.00 0.00 0.00 35 D 8.17 4.86 0.00 2.83 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 36 I 8.52 3.36 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.12 0.90 0.00 0.00 37 H 8.12 4.44 0.00 3.35 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 9.19 3.22 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 39 N 8.30 4.98 0.00 3.03 2.72 0.00 0.00 6.82 6.76 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 40 L 9.05 5.36 0.00 1.44 1.50 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 4.75 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 1.11 0.00 0.00 0.92 0.00 0.00 42 L 8.95 5.41 0.00 1.58 1.55 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.74 5.02 0.00 1.56 1.53 1.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.87 4.36 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 5.19 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 46 E 9.33 4.95 0.00 1.79 1.74 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 2.19 2.20 0.00 47 E 8.50 3.85 0.00 1.36 1.50 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 0.00 1.98 1.71 0.00 48 I 8.75 4.97 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.77 0.86 0.00 0.00 49 Q 8.35 4.40 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.19 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 50 N 10.21 4.12 0.00 2.87 2.87 0.00 0.00 7.43 7.65 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 51 G 8.44 4.02 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 0.00 0.00 0.00 52 E 8.04 4.40 0.00 2.13 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 2.53 2.18 0.00 53 V 8.22 3.66 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 0.72 0.00 0.00 0.89 0.00 0.00 54 V 8.67 3.77 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 0.71 0.00 0.00 0.92 0.00 0.00 55 R 7.67 4.68 0.00 1.83 1.77 0.00 3.22 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 56 K 8.66 4.88 0.00 1.76 1.66 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.37 7.81 57 V 8.53 4.59 2.15 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 0.92 0.00 0.00 1.12 0.00 0.00 58 G 8.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 5.27 0.00 3.86 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 60 V 8.59 4.51 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 0.72 0.00 0.00 0.72 0.00 0.00 61 V 8.32 4.64 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 0.77 0.00 0.00 0.90 0.00 0.00 62 I 8.34 4.38 1.71 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.12 0.75 0.00 0.00 63 R 8.52 4.45 0.00 1.81 1.83 0.00 3.28 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 64 G 9.78 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 0.00 0.00 0.00 65 D 8.12 4.40 0.00 2.63 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 66 T 7.81 4.42 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 1.20 0.00 0.00 67 V 8.15 4.26 2.15 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 0.74 0.00 0.00 0.94 0.00 0.00 68 V 8.74 4.14 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 1.01 0.00 0.00 0.90 0.00 0.00 69 F 7.28 5.01 0.00 3.05 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 70 V 8.53 5.32 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 0.93 0.00 0.00 0.94 0.00 0.00 71 S 9.14 4.89 0.00 3.91 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 72 P 0.00 5.01 0.00 2.11 2.13 0.00 3.38 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 73 A 8.36 4.21 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