NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3527 8.0433 122.7620 54.5407 43.8064 175.5980 2 K 4.4979 8.6334 127.5779 56.2131 33.2585 175.4715 3 C 5.2830 9.3572 124.3036 55.0363 43.4551 173.8041 4 N 5.2106 9.6094 121.8325 53.3098 39.2887 174.2495 5 K 4.5842 8.4765 119.9392 54.2140 35.1179 177.0422 6 L 3.7738 8.7338 121.9988 57.5914 41.9459 176.6751 7 V 4.3041 7.3770 117.4755 60.2252 31.9419 173.8630 8 P 4.1885 0.0000 0.0000 65.5962 31.3789 178.0334 9 L 3.8294 7.8002 116.3173 56.7466 41.8317 176.8021 10 F 5.3993 8.2797 117.3384 55.9894 42.6431 174.1471 11 Y 5.3427 8.5149 117.7541 55.9078 40.3587 173.7138 12 K 4.3450 8.8683 122.9944 54.8338 35.2318 174.3817 13 T 4.2105 8.7311 122.0747 63.8916 69.0241 174.0192 14 C 4.0830 9.1117 125.0687 56.5762 39.3034 173.0271 15 P 4.3103 0.0000 0.0000 61.9794 31.5277 175.3164 16 A 4.0853 8.2763 120.8859 53.7875 18.0743 175.8094 17 G 3.9467 8.3241 110.4530 46.1514 0.0000 174.1765 18 K 4.0831 7.6989 121.2636 56.0909 32.2685 177.6726 19 N 5.1800 8.3118 124.6440 51.6644 39.1505 174.7813 20 L 4.7306 7.6153 115.4444 54.0930 47.0090 174.9054 21 C 5.3806 9.5874 121.6483 57.5176 30.7241 172.5574 22 Y 5.5844 8.5085 120.1088 55.1796 42.0432 173.8667 23 K 4.8423 9.4039 120.4984 54.7731 35.7606 174.3210 24 M 5.2038 9.6403 127.2829 53.7831 34.8693 174.1977 25 F 5.1490 8.1490 120.0902 55.2922 42.4004 173.5879 26 M 4.5026 8.8349 119.6179 55.4594 32.5926 177.7936 27 V 3.8896 8.0730 126.4460 64.7784 32.3504 177.6541 28 A 4.2210 8.2261 122.8112 54.2014 18.8388 177.9777 29 T 4.7574 10.0958 105.8839 59.4231 69.3915 172.6228 30 P 3.1467 0.0000 0.0000 65.6128 31.7119 178.2165 31 K 4.0077 7.7503 117.6273 56.8853 33.0708 176.7928 32 V 4.1933 7.0662 119.9376 60.4945 30.0185 173.5150 33 P 4.5580 0.0000 0.0000 63.7286 31.7673 177.3417 34 V 4.3059 9.6760 112.2579 61.3765 33.1963 175.8114 35 K 4.6306 7.5951 119.4792 55.6276 34.9260 174.2372 36 R 4.6814 6.8570 120.9399 55.1780 34.6314 175.3461 37 G 4.2048 6.4673 111.3173 46.4901 0.0000 174.1621 38 C 5.4611 9.0250 124.4156 56.7573 31.0270 172.5524 39 I 4.3345 8.4863 123.6919 60.0307 40.5073 173.4401 40 D 4.4957 9.2314 128.0010 54.6743 38.9306 176.9373 41 V 3.8959 6.3196 116.0306 59.2714 33.2597 175.4101 42 C 3.8323 8.8127 124.8168 55.9783 43.3777 171.3533 43 P 4.0424 0.0000 0.0000 62.6091 31.2590 176.1913 44 K 4.2268 8.2846 121.5968 56.4689 33.5109 177.4365 45 S 4.7668 8.4508 122.8477 58.1556 65.0956 171.6860 46 S 4.3965 7.9094 116.2974 58.5931 64.7198 173.3112 47 L 4.1013 8.6861 119.9531 57.9351 41.8369 178.7150 48 L 4.4005 7.8538 117.2157 55.0058 43.1747 175.9297 49 V 4.2681 7.2441 118.1583 61.0301 34.1314 174.9975 50 K 4.7599 7.8939 123.9258 54.7905 36.4842 174.7607 51 Y 5.1352 8.7933 121.6225 56.1793 40.9866 175.3444 52 V 4.6013 9.0652 122.8403 61.4650 34.7167 173.6664 53 C 6.0957 8.9150 123.8000 54.7098 42.1886 171.5725 54 C 5.0371 8.2231 112.8227 54.7988 44.3147 173.3732 55 N 5.1290 8.6756 115.2489 52.9781 37.3911 174.5768 56 T 4.3701 7.7928 115.3948 62.7359 70.3647 174.0455 57 D 4.3583 8.4940 122.5327 55.3592 41.2089 177.4706 58 R 3.8394 8.4076 126.4060 57.3288 28.0939 174.0520 59 C 4.4989 7.9286 112.6155 57.4140 43.3582 174.0583 60 N 4.5234 8.0608 121.0305 52.7626 36.9249 174.4910 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 L 8.04 4.35 0.00 1.82 1.69 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.63 4.50 0.00 1.99 1.90 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.74 1.63 7.81 3 C 9.36 5.28 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.61 5.21 0.00 2.79 2.78 0.00 0.00 6.93 7.42 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 5 K 8.48 4.58 0.00 1.86 1.79 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.59 7.81 6 L 8.73 3.77 0.00 1.59 1.76 0.95 0.84 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 7 V 7.38 4.30 2.45 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 1.08 0.00 0.00 1.04 0.00 0.00 8 P 0.00 4.19 0.00 2.03 2.08 0.00 3.75 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 2.02 2.15 0.00 9 L 7.80 3.83 0.00 0.68 1.16 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.28 5.40 0.00 3.08 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 11 Y 8.51 5.34 0.00 3.08 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 12 K 8.87 4.34 0.00 1.78 1.89 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.39 7.81 13 T 8.73 4.21 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 1.28 0.00 0.00 14 C 9.11 4.08 0.00 3.00 3.31 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 15 P 0.00 4.31 0.00 2.22 2.23 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.28 4.09 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 17 G 8.32 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 18 K 7.70 4.08 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.68 7.81 19 N 8.31 5.18 0.00 2.67 2.77 0.00 0.00 6.99 7.85 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 20 L 7.62 4.73 0.00 1.79 1.57 0.96 0.96 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 21 C 9.59 5.38 0.00 2.88 2.86 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 22 Y 8.51 5.58 0.00 3.31 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 23 K 9.40 4.84 0.00 1.85 1.80 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.50 1.40 7.81 24 M 9.64 5.20 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.09 0.00 25 F 8.15 5.15 0.00 3.26 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 26 M 8.83 4.50 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 27 V 8.07 3.89 2.13 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 0.76 0.00 0.00 1.01 0.00 0.00 28 A 8.23 4.22 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 29 T 10.10 4.76 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 30 P 0.00 3.15 0.00 1.76 1.88 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 31 K 7.75 4.01 0.00 1.61 1.79 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.43 7.81 32 V 7.07 4.19 2.10 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 0.88 0.00 0.00 0.93 0.00 0.00 33 P 0.00 4.56 0.00 2.25 2.13 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 34 V 9.68 4.31 2.10 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 0.77 0.00 0.00 0.98 0.00 0.00 35 K 7.60 4.63 0.00 1.85 1.83 0.00 2.04 0.00 0.00 2.03 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.57 7.81 36 R 6.86 4.68 0.00 1.71 1.76 0.00 3.56 0.00 0.00 4.01 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 37 G 6.47 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 0.00 0.00 0.00 0.00 38 C 9.03 5.46 0.00 2.88 2.88 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 39 I 8.49 4.33 1.48 0.00 0.00 0.68 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 0.57 0.73 0.00 0.00 40 D 9.23 4.50 0.00 2.68 2.52 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 0.00 0.00 0.00 0.00 41 V 6.32 3.90 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 0.60 0.00 0.00 0.87 0.00 0.00 42 C 8.81 3.83 0.00 2.92 3.05 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 0.00 0.00 0.00 43 P 0.00 4.04 0.00 0.49 1.37 0.00 3.02 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.64 0.00 44 K 8.28 4.23 0.00 1.86 1.80 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.44 7.81 45 S 8.45 4.77 0.00 3.90 4.06 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 0.00 0.00 0.00 46 S 7.91 4.40 0.00 3.93 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 47 L 8.69 4.10 0.00 1.61 1.73 0.93 0.88 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 48 L 7.85 4.40 0.00 1.71 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.24 4.27 1.98 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 0.58 0.00 0.00 0.85 0.00 0.00 50 K 7.89 4.76 0.00 0.79 1.00 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.10 1.43 7.81 51 Y 8.79 5.14 0.00 2.85 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 52 V 9.07 4.60 2.28 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 1.19 0.00 0.00 1.20 0.00 0.00 53 C 8.91 6.10 0.00 2.90 3.01 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 54 C 8.22 5.04 0.00 2.97 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.68 5.13 0.00 2.82 2.90 0.00 0.00 6.02 7.71 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 56 T 7.79 4.37 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 1.22 0.00 0.00 57 D 8.49 4.36 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.84 0.00 1.83 1.85 0.00 2.63 0.00 0.00 3.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 59 C 7.93 4.50 0.00 3.09 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 60 N 8.06 4.52 0.00 2.85 2.88 0.00 0.00 5.86 7.56 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