NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0432 8.0393 120.3001 61.7746 32.7046 174.7039 2 V 3.9957 7.7567 119.3900 59.3007 33.1701 172.8439 3 I 3.8449 8.0157 126.0726 59.7227 39.9488 173.3121 4 P 4.2006 0.0000 0.0000 63.7256 31.0857 177.2376 5 S 4.6122 7.9945 110.2267 55.9003 64.1488 172.6997 6 P 4.6109 0.0000 0.0000 62.8983 33.1854 174.2880 7 C 4.6519 8.1564 116.4194 56.8465 45.7865 173.0402 8 C 4.8322 8.2966 114.9496 56.4704 43.9439 172.6256 9 M 4.4486 8.5285 117.8567 56.4647 33.7767 174.9476 10 F 4.9906 7.4514 110.5721 55.3284 41.3139 172.9738 11 F 4.8275 8.5962 119.1302 55.3930 40.7123 176.5942 12 V 3.8940 8.3273 117.0375 62.1084 31.9055 177.9411 13 S 4.4415 8.8742 119.4189 61.1220 63.3787 174.5354 14 K 4.2890 7.0146 116.5207 56.8846 36.0096 173.6318 15 R 2.5100 7.9936 117.9423 55.5247 30.8549 175.1152 16 I 4.3115 6.5530 117.0120 59.2140 41.2134 172.6776 17 P 4.5575 0.0000 0.0000 61.6909 30.0824 176.3568 18 E 3.2596 9.1340 125.5770 59.1026 29.4530 177.9314 19 N 4.5667 8.1135 114.4578 54.7883 39.4278 174.9905 20 R 4.4516 9.0113 116.8598 57.7129 32.6002 176.5490 21 V 4.3848 6.9906 113.8353 62.9626 32.1653 175.7130 22 V 4.2632 8.2321 115.2823 62.3481 34.0472 176.2539 23 S 4.7224 7.4646 110.5741 57.9792 65.4428 175.5563 24 Y 4.3600 8.0291 123.4342 55.9627 40.8130 175.5806 25 Q 4.2391 9.0215 117.9619 54.2696 31.5804 174.0303 26 L 4.2045 8.6964 123.2962 55.0798 42.3890 177.5917 27 S 4.5674 8.0006 115.9683 56.7565 61.6422 173.1958 28 S 4.4559 8.1104 115.9225 57.2043 62.4220 173.7912 29 R 4.7133 8.0513 124.3992 54.4080 32.8247 175.3304 30 S 4.4379 8.5386 118.6145 60.9575 63.5456 176.7181 31 T 3.8882 7.9509 109.2670 64.3791 68.3207 174.8363 32 C 4.6529 7.4442 118.0835 56.1261 41.2427 173.2940 33 L 4.1009 8.2447 119.8482 56.1785 41.7829 176.8381 34 K 4.7033 7.6964 115.1029 54.3663 36.1822 174.8768 35 A 4.6396 8.4010 121.6750 50.5751 21.6926 175.4259 36 G 4.3312 8.2656 108.3260 45.6390 0.0000 171.4813 37 V 4.7336 9.2387 119.6404 61.3705 34.4995 174.5491 38 I 5.1414 8.0952 124.9702 59.8162 39.3462 175.2810 39 F 5.2510 10.1394 126.4607 56.4287 42.2136 174.9396 40 T 5.1441 8.4885 115.1059 62.5306 72.9859 174.1570 41 T 4.9912 8.1737 120.6759 62.3543 70.0994 176.2623 42 K 4.0735 9.2301 122.8798 59.3980 32.8514 178.6097 43 K 4.0146 7.9331 119.8783 57.5310 32.2996 176.6573 44 G 4.1655 7.4295 108.5189 45.8199 0.0000 173.4195 45 Q 4.5368 8.0658 121.9877 55.0610 32.2287 174.1849 46 Q 4.6756 8.3875 118.0723 55.8127 31.2808 174.1279 47 S 4.9524 9.2595 121.2158 56.6178 66.7265 173.0471 48 C 4.9614 8.6402 120.9241 56.6842 36.8346 172.7970 49 G 4.8506 10.3391 112.5467 44.7657 0.0000 171.8885 50 D 5.3617 8.5715 122.3348 52.2640 42.2634 175.7338 51 P 4.1339 0.0000 0.0000 65.2732 31.7488 177.8772 52 K 3.9423 8.9687 119.0945 58.7472 31.9789 177.3779 53 Q 4.2420 7.3867 117.5251 55.3902 29.5840 176.3851 54 E 3.9786 8.3889 118.1944 57.2759 29.8264 178.6530 55 W 3.7701 7.5943 116.9291 58.5780 28.3154 178.6731 56 V 2.5445 5.7046 118.7469 65.4895 30.9544 177.5447 57 Q 3.7278 6.9562 119.0785 59.1358 28.8567 177.8763 58 R 3.9304 8.2711 119.9383 59.7559 30.0256 177.8030 59 Y 4.5415 8.2793 116.4139 61.8951 38.2451 178.8655 60 M 3.7746 9.0278 120.2836 58.1994 31.6659 178.9955 61 K 3.9439 8.3768 119.5328 59.6921 32.3275 178.2852 62 N 4.5385 8.4588 117.2449 56.4632 38.8524 176.8710 63 L 4.1851 8.9384 121.4871 57.5486 41.2243 178.8484 64 D 4.3991 8.2194 117.7386 57.1694 40.9550 177.9932 65 A 3.8312 7.6610 119.1094 54.6360 18.4040 178.1458 66 K 4.1362 7.8656 117.5750 58.7731 32.6084 177.7509 67 Q 3.9735 8.3685 121.0565 59.1291 30.0530 178.3218 68 K 4.2350 7.6343 127.7389 56.5635 30.2669 177.3025 69 K 4.2863 7.9710 123.4389 55.1942 29.2152 176.6246 70 A 3.8756 7.4617 123.2118 53.8488 18.9076 178.1019 71 S 4.6478 7.5063 109.0062 55.6649 66.1225 173.9542 72 P 4.3373 0.0000 0.0000 65.3529 31.5660 176.3971 73 R 4.0549 7.2948 122.1080 56.4331 29.9037 175.6760 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 V 8.04 4.04 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 0.84 0.00 0.00 0.88 0.00 0.00 2 V 7.76 4.00 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 0.52 0.00 0.00 0.90 0.00 0.00 3 I 8.02 3.84 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.67 0.92 0.00 0.00 4 P 0.00 4.20 0.00 2.21 1.91 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 5 S 7.99 4.61 0.00 3.79 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 6 P 0.00 4.61 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 7 C 8.16 4.65 0.00 2.87 2.96 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 0.00 0.00 0.00 8 C 8.30 4.83 0.00 2.70 2.66 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 0.00 0.00 0.00 9 M 8.53 4.45 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 10 F 7.45 4.99 0.00 3.24 2.98 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 11 F 8.60 4.83 0.00 3.17 2.96 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 0.00 0.00 0.00 12 V 8.33 3.89 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 1.12 0.00 0.00 1.36 0.00 0.00 13 S 8.87 4.44 0.00 3.89 3.96 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 0.00 0.00 0.00 14 K 7.01 4.29 0.00 1.73 1.67 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.10 7.81 15 R 7.99 2.51 0.00 0.85 1.44 0.00 3.05 0.00 0.00 3.09 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.34 0.00 16 I 6.55 4.31 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.36 0.82 0.00 0.00 17 P 0.00 4.56 0.00 2.20 2.18 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 18 E 9.13 3.26 0.00 2.11 2.02 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 2.03 2.20 0.00 19 N 8.11 4.57 0.00 2.72 2.81 0.00 0.00 6.78 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 20 R 9.01 4.45 0.00 1.83 1.90 0.00 3.17 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 21 V 6.99 4.38 1.87 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 1.25 0.00 0.00 1.03 0.00 0.00 22 V 8.23 4.26 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 0.86 0.00 0.00 1.01 0.00 0.00 23 S 7.46 4.72 0.00 3.78 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 24 Y 8.03 4.36 0.00 1.60 1.43 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 25 Q 9.02 4.24 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.95 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 26 L 8.70 4.20 0.00 1.67 1.68 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.00 4.57 0.00 3.94 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 28 S 8.11 4.46 0.00 3.90 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 29 R 8.05 4.71 0.00 1.68 1.73 0.00 3.45 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 30 S 8.54 4.44 0.00 3.92 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 31 T 7.95 3.89 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 1.21 0.00 0.00 32 C 7.44 4.65 0.00 3.16 3.14 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 33 L 8.24 4.10 0.00 1.60 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.70 4.70 0.00 1.64 1.63 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 35 A 8.40 4.64 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.27 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 37 V 9.24 4.73 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 0.75 0.00 0.00 0.87 0.00 0.00 38 I 8.10 5.14 2.07 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 1.23 0.37 0.96 0.00 0.00 39 F 10.14 5.25 0.00 3.51 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 5.14 4.29 0.00 0.00 0.00 0.00 0.00 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 41 T 8.17 4.99 4.28 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 1.25 0.00 0.00 42 K 9.23 4.07 0.00 1.81 1.95 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.43 7.81 43 K 7.93 4.01 0.00 1.75 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 44 G 7.43 4.17 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 0.00 0.00 0.00 45 Q 8.07 4.54 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 46 Q 8.39 4.68 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 47 S 9.26 4.95 0.00 3.87 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 48 C 8.64 4.96 0.00 2.72 2.85 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 49 G 10.34 4.85 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 50 D 8.57 5.36 0.00 1.58 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 0.00 0.00 0.00 0.00 51 P 0.00 4.13 0.00 2.13 2.08 0.00 3.88 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 2.00 0.00 52 K 8.97 3.94 0.00 1.65 1.81 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 53 Q 7.39 4.24 0.00 1.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.51 0.00 54 E 8.39 3.98 0.00 1.96 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 2.29 2.28 0.00 55 W 7.59 3.77 0.00 2.80 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 V 5.70 2.54 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 0.96 0.00 0.00 -1.46 0.00 0.00 57 Q 6.96 3.73 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 58 R 8.27 3.93 0.00 1.91 1.93 0.00 3.22 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 59 Y 8.28 4.54 0.00 3.55 3.42 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 60 M 9.03 3.77 0.00 1.71 2.13 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.81 0.00 61 K 8.38 3.94 0.00 1.89 2.08 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 62 N 8.46 4.54 0.00 2.92 2.89 0.00 0.00 7.38 6.29 0.00 0.00 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 L 8.94 4.19 0.00 2.17 1.95 1.36 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.22 4.40 0.00 3.19 2.70 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 65 A 7.66 3.83 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.14 0.00 1.78 1.89 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.48 7.81 67 Q 8.37 3.97 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 68 K 7.63 4.23 0.00 1.59 2.02 0.00 2.03 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 69 K 7.97 4.29 0.00 1.78 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.78 1.38 7.81 70 A 7.46 3.88 1.23 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 0.00 0.00 0.00 71 S 7.51 4.65 0.00 3.95 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 72 P 0.00 4.34 0.00 2.20 2.22 0.00 3.76 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 1.99 1.95 0.00 73 R 7.29 4.05 0.00 1.80 1.85 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00