NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8503 8.3549 109.7363 43.3793 0.0000 174.1038 2 S 3.5593 9.0366 114.0967 59.3854 61.3562 170.7856 3 S 4.8307 8.0130 114.8782 57.0112 66.8947 173.5980 4 G 4.1762 8.1029 110.5770 44.8929 0.0000 171.5569 5 S 4.6951 8.0493 113.1571 56.5336 66.3049 173.4341 6 S 4.4567 8.5927 116.2118 58.2304 63.6206 173.4123 7 G 3.3877 9.6847 110.6502 45.7367 0.0000 174.1082 8 G 3.8045 8.8675 120.7298 46.3406 0.0000 170.5797 9 T 5.1943 7.8007 107.4502 59.3936 72.3826 172.9488 10 A 5.4539 9.1807 125.4146 50.1206 22.9484 175.2288 11 V 4.6421 8.2114 119.8460 59.4344 33.9595 174.5529 12 A 4.4417 8.4147 127.8082 52.4636 18.5717 177.9628 13 R 3.9532 8.3752 119.8792 58.2372 30.5307 176.8997 14 Y 5.1271 7.3338 115.1762 55.8964 42.0474 174.6090 15 N 4.6332 9.2895 121.6672 53.3143 38.4240 174.1545 16 F 4.8722 9.3869 124.3971 56.5579 42.8274 172.8053 17 A 4.5275 8.1938 128.2469 50.1218 19.7983 176.5585 18 A 3.7443 7.6637 125.7723 52.2967 19.1057 177.4430 19 R 4.1658 8.6652 122.0976 57.8507 31.2889 176.5186 20 D 4.8554 8.2128 117.4303 52.3598 42.4481 176.9094 21 M 4.1304 8.7442 123.0702 58.5044 31.4088 177.8483 22 R 4.2814 8.0917 118.0550 59.2516 31.2163 177.2314 23 E 5.1587 8.3361 116.9713 56.4713 30.6343 176.2642 24 L 4.9050 8.8602 122.9817 53.2643 44.2608 176.3290 25 S 4.4705 8.9228 122.5476 58.6802 63.7685 173.4531 26 L 4.9297 9.3935 124.1502 52.9062 44.8965 175.4016 27 R 4.8684 8.4143 122.5189 53.9945 33.5436 173.6384 28 E 4.2055 9.0280 125.2694 60.5714 29.2562 176.7840 29 G 3.9532 8.6711 112.4577 45.0982 0.0000 171.5837 30 D 4.7842 8.3122 120.5925 52.2004 42.1875 176.3448 31 V 4.0034 8.3089 124.2734 62.8312 32.6967 175.4140 32 V 4.2832 8.6250 126.0081 61.1804 34.9668 174.5955 33 R 4.4844 7.9328 126.4198 55.7883 31.7734 175.9567 34 I 4.3274 8.0144 124.0884 60.6787 36.9937 175.5606 35 Y 4.5633 8.8386 125.7173 60.2376 38.2541 176.0824 36 S 4.6929 7.9700 112.9267 56.6906 65.0493 174.5432 37 R 3.8624 8.8604 125.9343 57.8000 30.5427 176.8506 38 I 4.9057 7.4632 108.8911 58.9601 40.6678 174.0181 39 G 4.3304 8.3109 119.0707 45.9738 0.0000 173.1778 40 G 3.5611 7.8252 105.1205 43.9142 0.0000 171.9561 41 D 4.8990 7.2584 116.7414 50.9639 44.0158 176.2048 42 Q 4.1739 8.4715 121.1655 57.9731 29.1353 175.6448 43 G 4.1017 9.0291 116.4135 45.2938 0.0000 173.8484 44 W 4.1016 7.2360 119.4907 56.3054 29.7543 175.4291 45 W 5.4622 8.7214 122.2182 54.9083 33.1814 174.2963 46 K 4.6831 8.8163 124.4718 55.3282 32.7714 174.3599 47 G 4.3490 7.8919 116.0775 45.2126 0.0000 170.4947 48 E 5.0300 8.1074 117.5807 56.1085 33.2647 175.9948 49 T 4.4251 8.8028 118.6043 62.4829 70.7052 172.6748 50 N 4.0056 9.7057 122.8289 54.2649 36.1274 174.4048 51 G 3.9285 8.3744 103.1118 46.7391 0.0000 174.3726 52 R 4.7062 7.9377 117.4826 53.8913 33.5089 174.8966 53 I 4.8517 8.1634 121.7374 59.1964 41.1694 176.0697 54 G 3.9829 7.6243 109.8531 45.9571 0.0000 170.7471 55 W 5.4523 8.5352 121.4989 55.0625 31.4977 175.4675 56 F 5.6611 9.4218 119.6260 54.1393 40.8179 172.8531 57 P 3.4792 0.0000 0.0000 62.6466 31.1311 176.1740 58 S 4.0507 7.6106 114.9274 59.1121 62.8124 176.0287 59 T 3.9307 7.2366 109.1031 64.4017 69.1632 175.0599 60 Y 4.1835 7.8582 118.4621 58.9183 38.4184 174.7402 61 V 5.0133 7.0692 111.2210 59.3403 35.5507 174.7294 62 E 4.5357 8.7139 121.6908 54.2096 32.1468 174.4189 63 E 4.3045 9.0919 127.2754 56.8219 30.0738 176.9272 64 E 4.0389 8.9399 125.9399 55.9221 29.6877 177.2982 65 G 4.1935 8.4792 114.1603 44.7322 0.0000 172.8917 66 I 3.5954 8.3471 123.9202 61.8776 37.6333 174.7141 67 Q 4.5065 8.3198 124.0892 53.8965 31.3799 175.0454 68 S 4.2544 8.8615 122.0776 58.5914 64.1040 172.1086 69 G 3.6075 8.6787 115.0572 45.9739 0.0000 173.7469 70 P 4.4119 0.0000 0.0000 61.9376 29.9903 174.6766 71 S 4.4876 8.1386 118.6457 57.1096 63.8403 173.4764 72 S 4.7067 8.3674 122.3435 56.2368 64.9889 174.5199 73 G 3.7262 8.4337 108.6751 45.9737 0.0000 173.6074 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 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.04 3.56 0.00 4.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.83 0.00 3.81 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 4 G 8.10 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.05 4.70 0.00 3.91 3.81 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 0.00 0.00 0.00 6 S 8.59 4.46 0.00 3.87 3.81 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 0.00 0.00 0.00 7 G 9.68 3.39 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 0.00 8 G 8.87 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 9 T 7.80 5.19 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 1.16 0.00 0.00 10 A 9.18 5.45 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.64 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 0.76 0.00 0.00 0.91 0.00 0.00 12 A 8.41 4.44 1.37 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 0.00 0.00 0.00 13 R 8.38 3.95 0.00 1.11 0.95 0.00 3.10 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 14 Y 7.33 5.13 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.29 4.63 0.00 2.81 3.02 0.00 0.00 5.88 7.51 0.00 0.00 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 F 9.39 4.87 0.00 2.86 2.89 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 17 A 8.19 4.53 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.66 3.74 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 19 R 8.67 4.17 0.00 1.85 2.00 0.00 3.33 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 20 D 8.21 4.86 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.74 4.13 0.00 2.18 2.24 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 2.60 2.57 0.00 22 R 8.09 4.28 0.00 2.06 2.28 0.00 3.15 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 23 E 8.34 5.16 0.00 2.22 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 2.80 2.34 0.00 24 L 8.86 4.90 0.00 1.77 1.78 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.92 4.47 0.00 3.80 3.76 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 26 L 9.39 4.93 0.00 1.89 1.71 1.13 0.62 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 27 R 8.41 4.87 0.00 1.87 2.13 0.00 3.22 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 28 E 9.03 4.21 0.00 2.02 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 2.33 2.48 0.00 29 G 8.67 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 30 D 8.31 4.78 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.00 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 0.65 0.00 0.00 0.91 0.00 0.00 32 V 8.63 4.28 1.77 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 -0.04 0.00 0.00 0.65 0.00 0.00 33 R 7.93 4.48 0.00 1.24 1.27 0.00 3.09 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 34 I 8.01 4.33 1.69 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.33 0.00 0.00 35 Y 8.84 4.56 0.00 3.00 2.87 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 36 S 7.97 4.69 0.00 3.93 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 37 R 8.86 3.86 0.00 1.81 2.02 0.00 3.14 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.17 0.00 38 I 7.46 4.91 1.97 0.00 0.00 0.92 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 0.74 1.04 0.00 0.00 39 G 8.31 4.33 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 0.00 40 G 7.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.26 4.90 0.00 2.49 2.43 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 42 Q 8.47 4.17 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 43 G 9.03 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 44 W 7.24 4.10 0.00 3.11 3.39 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 45 W 8.72 5.46 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 4.68 0.00 1.30 1.65 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 0.99 7.81 47 G 7.89 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 48 E 8.11 5.03 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 49 T 8.80 4.43 4.16 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 1.13 0.00 0.00 50 N 9.71 4.01 0.00 2.87 2.87 0.00 0.00 6.97 7.81 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 51 G 8.37 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.94 4.71 0.00 2.02 1.79 0.00 3.07 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 53 I 8.16 4.85 1.87 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 1.38 0.55 0.88 0.00 0.00 54 G 7.62 3.98 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 0.00 0.00 0.00 55 W 8.54 5.45 0.00 3.35 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 56 F 9.42 5.66 0.00 3.10 3.22 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 57 P 0.00 3.48 0.00 1.45 0.57 0.00 3.26 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 58 S 7.61 4.05 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.24 3.93 4.07 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 0.00 0.00 0.00 0.95 0.00 0.00 60 Y 7.86 4.18 0.00 2.86 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 61 V 7.07 5.01 2.23 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 0.88 0.00 0.00 1.11 0.00 0.00 62 E 8.71 4.54 0.00 2.03 1.76 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 2.17 2.31 0.00 63 E 9.09 4.30 0.00 1.99 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 2.54 2.65 0.00 64 E 8.94 4.04 0.00 2.00 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 2.35 2.28 0.00 65 G 8.48 4.19 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 0.00 0.00 0.00 66 I 8.35 3.60 1.87 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 1.30 0.57 0.91 0.00 0.00 67 Q 8.32 4.51 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 68 S 8.86 4.25 0.00 3.90 3.79 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 0.00 0.00 0.00 69 G 8.68 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.19 2.11 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 71 S 8.14 4.49 0.00 3.80 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 72 S 8.37 4.71 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 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