NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4620 8.1627 120.6049 55.6171 34.6220 173.5863 2 Q 4.6973 8.1339 121.9870 52.5830 32.4543 172.0688 3 I 4.5997 8.9214 119.8555 58.9388 42.1798 173.5641 4 F 5.4446 9.2520 120.4659 55.6373 42.7426 174.8469 5 V 4.8046 9.0509 122.2769 61.1420 34.0203 174.0986 6 K 5.0030 9.5230 131.0479 55.6052 34.0144 175.8101 7 T 4.7307 8.5794 117.0873 59.9198 71.2949 175.1506 8 L 3.9061 8.8481 123.7686 58.8651 41.9861 178.3849 9 T 3.8846 7.9836 113.4367 66.2506 68.3764 174.7690 10 G 4.0213 7.8916 106.2552 44.7787 0.0000 174.0004 11 K 4.1246 7.9819 122.6750 56.8633 33.4466 175.5179 12 T 5.0183 8.4533 122.9218 61.9169 71.0228 173.3194 13 I 4.4609 8.8747 127.9092 60.2374 39.2439 174.7320 14 T 5.0793 8.5859 123.1284 61.8917 70.6703 173.9063 15 L 4.7955 8.3904 124.9523 52.9112 46.0775 175.3890 16 E 4.7902 8.7288 122.3671 55.6376 30.3549 175.7610 17 V 4.6816 8.6388 117.5962 59.7651 36.3130 174.4631 18 E 4.7497 9.6279 119.9849 54.0081 32.5804 176.2414 19 P 4.1225 0.0000 0.0000 65.3945 31.5634 177.9807 20 S 4.6386 7.8268 109.9914 58.0537 63.7318 173.8553 21 D 4.4207 8.1010 123.5725 54.5517 40.9639 176.5452 22 T 4.5875 8.1894 114.3526 61.1579 71.4796 175.7903 23 I 3.8101 8.2494 121.4221 64.0204 36.9280 178.4491 24 E 3.9396 8.3978 120.7433 59.3823 29.4085 178.5999 25 N 4.3554 7.9920 116.1988 56.2990 38.5819 177.6313 26 V 3.6109 7.5640 119.5324 65.8902 31.6277 178.3270 27 K 4.4928 8.5812 119.3551 58.6781 31.6568 179.2307 28 A 4.0362 7.7653 121.0861 54.9934 18.2911 179.8017 29 K 4.0133 7.8671 116.6496 59.3425 32.1059 179.6701 30 I 3.8455 7.8050 120.4220 64.0901 36.9877 178.1097 31 Q 4.4104 8.0594 121.9887 58.5886 28.5966 178.0375 32 D 4.3252 7.6323 119.4558 57.0763 41.0196 178.2638 33 K 4.2989 7.9378 116.8985 57.4312 32.4965 177.3268 34 E 4.5367 8.4101 116.1364 54.6123 31.4623 176.2116 35 G 3.9051 8.2672 106.4799 46.4936 0.0000 173.2975 36 I 4.4616 7.4294 119.8744 58.0012 39.6903 173.6583 37 P 4.4676 0.0000 0.0000 62.0542 31.5560 175.5088 38 P 4.3601 0.0000 0.0000 65.6706 31.4948 178.2965 39 D 4.3987 8.0380 116.4998 55.9139 39.8074 177.2326 40 Q 4.7911 8.3234 117.8885 56.5056 29.5386 175.4539 41 Q 4.6736 7.4989 117.5487 55.3318 30.6854 175.3053 42 R 4.8591 8.9785 121.1029 54.5365 34.2132 174.0079 43 L 5.1713 8.5973 123.6870 53.0532 44.3759 175.3954 44 I 5.0208 8.7379 124.2689 59.5844 40.8356 174.6824 45 F 5.0020 9.0620 127.9587 57.2173 42.8414 174.1361 46 A 3.2223 9.0514 129.1526 53.2537 15.7570 177.7327 47 G 3.8477 8.4100 104.9488 47.0319 0.0000 173.9266 48 K 4.4441 7.6680 120.8073 53.9991 34.3623 174.6062 49 Q 4.6142 8.4931 127.3932 55.4164 29.4369 175.4133 50 L 3.9637 8.5487 127.1507 54.7250 42.8761 176.2151 51 E 4.6104 9.0416 121.4048 54.8268 31.1265 176.9423 52 D 4.3956 9.1832 124.4106 57.6415 41.0503 178.6518 53 G 3.8287 8.0174 104.6456 46.4102 0.0000 173.5945 54 R 4.3142 7.9149 120.1718 55.1587 31.7204 176.1654 55 T 4.8193 7.8958 110.8267 60.1876 70.7602 176.0364 56 L 4.0453 8.4997 122.4451 57.9677 41.7639 180.3006 57 S 4.1419 8.2499 113.1924 61.1313 62.9292 176.0837 58 D 4.2411 7.6308 119.7553 56.3490 39.5430 176.5474 59 Y 4.8664 7.9113 115.7719 57.0536 38.2659 175.5523 60 N 4.3722 7.7271 115.6720 54.2402 36.7138 174.7049 61 I 3.7453 7.0883 119.8715 60.8249 36.3626 176.1196 62 Q 4.4067 8.2190 126.4018 54.2044 30.9298 175.2076 63 K 3.9155 8.3014 119.3544 58.2723 32.5793 177.3039 64 E 3.9238 9.2556 123.5430 56.7259 28.1444 175.0312 65 S 4.5581 7.5494 114.9831 59.1408 64.2783 173.2133 66 T 5.2426 8.7276 118.4029 61.9807 70.6824 173.5992 67 L 5.1322 9.1792 126.1428 53.3280 45.4213 174.9475 68 H 5.2257 9.1710 119.1567 54.0349 31.2423 173.3005 69 L 4.7557 8.7696 126.7718 54.3162 42.5153 175.8865 70 V 4.5569 9.0542 126.6826 61.1039 34.8343 173.9388 71 L 5.0692 8.4121 124.9108 53.2062 44.0040 176.2980 72 R 4.4297 9.1970 123.5443 54.6206 32.7362 173.5842 73 L 4.7596 8.5364 126.6757 54.4113 42.5057 178.8358 74 R 3.5759 7.2422 122.3860 57.9230 30.8130 177.0903 75 G 4.0106 9.0003 105.9949 44.7446 0.0000 172.9352 76 G 3.4072 7.2565 112.6577 45.1994 0.0000 173.0604 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 4.46 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 Q 8.13 4.70 0.00 2.29 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 1.67 2.08 0.00 3 I 8.92 4.60 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.81 0.00 0.00 4 F 9.25 5.44 0.00 2.95 2.91 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 5 V 9.05 4.80 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 1.05 0.00 0.00 0.93 0.00 0.00 6 K 9.52 5.00 0.00 1.82 1.58 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 7 T 8.58 4.73 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 8.85 3.91 0.00 1.61 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.98 3.88 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 1.24 0.00 0.00 10 G 7.89 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 11 K 7.98 4.12 0.00 1.85 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.45 5.02 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 1.23 0.00 0.00 13 I 8.87 4.46 1.91 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 0.74 0.93 0.00 0.00 14 T 8.59 5.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 15 L 8.39 4.80 0.00 1.47 1.44 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.79 0.00 1.81 1.86 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 2.22 2.24 0.00 17 V 8.64 4.68 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.85 0.00 0.00 18 E 9.63 4.75 0.00 1.92 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 0.00 2.18 2.37 0.00 19 P 0.00 4.12 0.00 2.14 2.08 0.00 3.55 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 2.09 2.05 0.00 20 S 7.83 4.64 0.00 3.94 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 21 D 8.10 4.42 0.00 2.90 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 22 T 8.19 4.59 4.45 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 1.20 0.00 0.00 23 I 8.25 3.81 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.15 0.93 0.00 0.00 24 E 8.40 3.94 0.00 2.16 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 2.36 0.00 25 N 7.99 4.36 0.00 2.99 2.84 0.00 0.00 6.69 7.01 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 26 V 7.56 3.61 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 1.01 0.00 0.00 1.00 0.00 0.00 27 K 8.58 4.49 0.00 2.02 1.85 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.46 7.81 28 A 7.77 4.04 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 7.87 4.01 0.00 1.94 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.80 3.85 2.16 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 0.71 0.96 0.00 0.00 31 Q 8.06 4.41 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 7.63 4.33 0.00 2.82 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 7.94 4.30 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 E 8.41 4.54 0.00 2.04 1.94 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 2.23 2.36 0.00 35 G 8.27 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 36 I 7.43 4.46 1.88 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 1.26 0.92 0.00 0.00 37 P 0.00 4.47 0.00 2.23 2.01 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.36 0.00 2.17 2.13 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 39 D 8.04 4.40 0.00 2.79 2.80 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 40 Q 8.32 4.79 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 41 Q 7.50 4.67 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 42 R 8.98 4.86 0.00 1.75 1.78 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 43 L 8.60 5.17 0.00 1.62 1.55 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.74 5.02 1.93 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 1.38 1.06 0.96 0.00 0.00 45 F 9.06 5.00 0.00 2.99 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 46 A 9.05 3.22 0.79 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 0.00 0.00 47 G 8.41 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 48 K 7.67 4.44 0.00 1.69 1.62 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.47 7.81 49 Q 8.49 4.61 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 50 L 8.55 3.96 0.00 1.49 1.34 0.83 0.17 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 51 E 9.04 4.61 0.00 2.10 1.94 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 2.32 2.40 0.00 52 D 9.18 4.40 0.00 2.80 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 53 G 8.02 3.83 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 0.00 0.00 0.00 54 R 7.91 4.31 0.00 2.09 1.36 0.00 3.16 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 55 T 7.90 4.82 4.41 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 1.20 0.00 0.00 56 L 8.50 4.05 0.00 1.86 1.69 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.14 0.00 3.96 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 0.00 58 D 7.63 4.24 0.00 2.46 2.27 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 59 Y 7.91 4.87 0.00 3.11 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 60 N 7.73 4.37 0.00 2.99 2.99 0.00 0.00 6.92 7.34 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 61 I 7.09 3.75 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 0.46 0.00 0.00 62 Q 8.22 4.41 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 63 K 8.30 3.92 0.00 1.67 1.71 0.00 1.92 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.53 7.81 64 E 9.26 3.92 0.00 2.18 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 0.00 2.41 2.82 0.00 65 S 7.55 4.56 0.00 3.81 3.77 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 66 T 8.73 5.24 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 1.19 0.00 0.00 67 L 9.18 5.13 0.00 1.58 1.56 0.79 0.81 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 68 H 9.17 5.23 0.00 3.12 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.77 4.76 0.00 1.65 1.60 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.05 4.56 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 1.00 0.00 0.00 0.95 0.00 0.00 71 L 8.41 5.07 0.00 1.56 1.56 0.93 0.89 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 72 R 9.20 4.43 0.00 1.76 1.78 0.00 3.24 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 73 L 8.54 4.76 0.00 1.71 1.57 0.92 0.95 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 74 R 7.24 3.58 0.00 1.82 1.86 0.00 3.15 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 75 G 9.00 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.26 3.41 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 0.00