NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 2.0000 8.3049 120.2382 54.5014 33.9716 176.7560 2 K 3.9978 7.8804 113.4349 57.1844 34.9988 176.3236 3 K 4.2298 8.7631 115.6610 57.4528 28.8868 174.5714 4 D 4.2964 7.9207 127.5633 56.1639 41.1821 177.9384 5 I 4.2680 7.2931 111.5872 60.0117 39.9536 174.8475 6 H 3.9599 8.9717 125.3078 55.7797 27.4780 172.8481 7 P 4.6720 0.0000 0.0000 62.6258 31.8268 176.6445 8 K 4.6354 8.2669 121.0711 55.3705 36.0903 174.5119 9 Y 5.0431 8.5764 121.3622 58.6562 41.3289 173.8377 10 E 3.5799 5.9000 121.8003 53.7374 27.7036 175.1111 11 E 4.8141 8.2909 124.7990 54.2194 32.3037 174.8728 12 I 4.5837 8.1989 116.5966 60.3662 39.8324 175.4936 13 T 4.5580 7.8646 112.2230 61.2110 71.7284 171.8452 14 A 5.1638 8.4433 121.1259 51.1495 22.9499 176.3104 15 S 4.6549 8.8286 115.8895 58.0582 65.6433 173.9532 16 C 4.8751 8.2444 118.8584 58.9577 30.8589 173.8065 17 S 4.5167 8.6638 118.9596 58.2956 63.1009 174.6405 18 C 4.2763 8.4307 123.9706 61.3935 27.5616 174.8012 19 G 4.0525 7.0989 105.4387 45.3109 0.0000 175.8849 20 N 4.7916 10.2761 123.2071 50.3635 39.9695 172.8987 21 V 4.7668 7.4305 128.5010 61.8108 31.8337 170.9601 22 M 5.5232 7.7659 120.8739 55.5521 34.0301 174.5962 23 K 3.9869 8.4889 119.6595 56.7566 33.0940 176.4522 24 I 4.1034 8.5231 118.8701 61.4314 37.5309 175.7990 25 R 4.7780 9.4720 126.2373 55.8038 33.0784 175.3798 26 S 5.2313 8.2005 115.7176 58.3827 64.7126 177.8148 27 T 4.3965 8.5664 121.5125 63.1185 67.9801 172.9440 28 V 3.6215 8.0312 115.3929 62.6363 38.4623 170.9457 29 G 4.2479 7.4568 104.7378 44.5253 0.0000 176.2738 30 H 4.7711 8.9916 125.6760 53.8343 33.1887 173.0257 31 D 4.5125 9.5013 125.8157 54.4719 39.5362 179.2398 32 L 3.6021 9.1379 130.2858 55.0802 41.8078 172.9203 33 N 5.0628 7.9737 110.3249 53.3025 40.2386 172.9234 34 L 4.4631 7.5552 127.8588 53.8307 42.9184 171.9726 35 D 4.8705 9.6332 123.3709 53.7954 40.7388 174.2183 36 V 4.3694 8.3631 116.2329 60.4967 33.7151 173.5763 37 C 4.2000 8.9953 125.6269 59.8181 31.9103 173.1360 38 S 4.8201 8.5984 118.9907 58.1434 62.1489 174.2605 39 K 4.5403 7.4994 114.8903 54.9829 32.7559 175.3237 40 C 4.5865 7.1918 120.6503 58.3301 33.7257 173.2035 41 H 5.0309 8.6493 118.3659 52.7384 33.4484 172.0143 42 P 4.7252 0.0000 0.0000 63.4638 29.2292 173.9371 43 F 4.5907 8.9548 125.8896 57.8226 39.8871 175.2188 44 F 5.4081 8.9549 119.4915 55.6582 40.6457 174.5790 45 T 3.5304 7.9669 109.3453 61.3835 70.2498 172.3367 46 G 4.3215 8.7474 116.0077 45.2379 0.0000 172.8107 47 K 4.8379 8.3225 124.9586 54.2202 35.8603 175.9835 48 Q 5.0141 8.4622 121.9831 55.3056 29.9092 176.6714 49 R 3.9959 8.2213 119.4253 59.3508 29.9285 177.4598 50 D 4.5298 8.1017 117.1813 55.8975 40.9006 177.8212 51 V 4.0233 7.2362 118.4975 64.3982 32.4460 177.3267 52 A 4.1544 8.4444 121.0939 54.6812 18.2532 177.7238 53 T 4.0564 7.4214 109.5439 62.6458 68.2902 173.1148 54 G 4.2554 8.6841 116.8423 45.9387 0.0000 176.2150 55 G 3.5540 7.9063 108.2079 47.8999 0.0000 175.7755 56 R 3.9643 7.8975 119.6987 58.5557 29.7351 177.3333 57 V 3.7067 7.2646 117.2946 64.9952 31.9399 176.4220 58 D 4.9588 8.3810 120.9931 53.3647 43.1041 176.5633 59 R 4.5034 8.7900 113.8935 55.2054 31.1940 176.1765 60 F 4.3719 9.7137 129.1547 59.7691 40.0896 174.0585 61 N 4.3576 7.5850 116.5911 54.6904 40.2648 175.9921 62 K 4.3127 7.9296 113.3808 57.0678 32.3008 177.1067 63 R 4.3935 7.9477 118.9509 58.0405 31.3258 177.2731 64 F 3.9426 8.4036 118.6110 61.5457 39.3249 176.3159 65 N 4.5020 8.3030 116.0691 55.8873 36.8923 177.0514 66 I 3.6292 8.3088 122.3076 63.9321 37.1144 176.5839 67 P 4.3343 0.0000 0.0000 64.8915 31.0917 178.3696 68 G 3.9384 7.7507 104.7516 47.1793 0.0000 175.0770 69 S 4.7415 8.0737 115.4463 58.7201 63.5862 174.2319 70 K 4.4064 7.7538 124.5779 58.0408 32.1223 175.7991 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 8.30 2.00 0.00 1.60 1.65 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 2 K 7.88 4.00 0.00 1.69 1.65 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.33 7.81 3 K 8.76 4.23 0.00 2.03 2.29 0.00 1.54 0.00 0.00 2.04 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.64 7.81 4 D 7.92 4.30 0.00 2.52 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 4.27 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 1.27 0.74 0.85 0.00 0.00 6 H 8.97 3.96 0.00 3.27 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.67 0.00 2.22 2.24 0.00 3.44 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 8 K 8.27 4.64 0.00 1.74 1.73 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.31 7.81 9 Y 8.58 5.04 0.00 2.87 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 10 E 5.90 3.58 0.00 1.57 1.69 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 2.24 2.00 0.00 11 E 8.29 4.81 0.00 1.91 1.80 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 2.36 2.32 0.00 12 I 8.20 4.58 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.96 0.00 0.00 13 T 7.86 4.56 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 1.19 0.00 0.00 14 A 8.44 5.16 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 15 S 8.83 4.65 0.00 3.81 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 16 C 8.24 4.88 0.00 2.80 2.82 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 17 S 8.66 4.52 0.00 3.97 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 18 C 8.43 4.28 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 19 G 7.10 4.05 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 0.00 0.00 0.00 20 N 10.28 4.79 0.00 2.66 2.72 0.00 0.00 6.82 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 21 V 7.43 4.77 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 0.71 0.00 0.00 0.94 0.00 0.00 22 M 7.77 5.52 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 23 K 8.49 3.99 0.00 1.70 1.77 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.45 7.81 24 I 8.52 4.10 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.90 0.00 0.00 25 R 9.47 4.78 0.00 1.71 1.62 0.00 3.41 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 26 S 8.20 5.23 0.00 3.98 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 27 T 8.57 4.40 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 1.20 0.00 0.00 28 V 8.03 3.62 1.93 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 0.41 0.00 0.00 0.83 0.00 0.00 29 G 7.46 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 0.00 0.00 0.00 0.00 30 H 8.99 4.77 0.00 3.16 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 9.50 4.51 0.00 2.71 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 32 L 9.14 3.60 0.00 2.02 1.69 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.97 5.06 0.00 3.02 2.87 0.00 0.00 6.07 7.79 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 34 L 7.56 4.46 0.00 1.64 1.31 0.96 1.32 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 35 D 9.63 4.87 0.00 3.05 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 36 V 8.36 4.37 2.19 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 0.70 0.00 0.00 1.02 0.00 0.00 37 C 9.00 4.20 0.00 2.89 3.16 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 38 S 8.60 4.82 0.00 4.04 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 39 K 7.50 4.54 0.00 1.58 1.65 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.30 7.81 40 C 7.19 4.59 0.00 3.15 2.78 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 41 H 8.65 5.03 0.00 3.11 3.20 0.00 5.93 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 42 P 0.00 4.73 0.00 2.14 2.12 0.00 3.02 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 1.74 1.85 0.00 43 F 8.95 4.59 0.00 3.04 3.43 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 44 F 8.95 5.41 0.00 3.23 3.09 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 45 T 7.97 3.53 4.00 0.00 0.00 0.00 0.00 0.00 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 46 G 8.75 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.32 4.84 0.00 1.70 1.71 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.30 1.41 7.81 48 Q 8.46 5.01 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.95 0.00 0.00 0.00 0.00 0.00 2.59 2.31 0.00 49 R 8.22 4.00 0.00 1.80 1.75 0.00 3.15 0.00 0.00 3.29 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 50 D 8.10 4.53 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.24 4.02 2.25 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 0.88 0.00 0.00 0.98 0.00 0.00 52 A 8.44 4.15 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 53 T 7.42 4.06 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 1.25 0.00 0.00 54 G 8.68 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 0.00 0.00 0.00 0.00 55 G 7.91 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.96 0.00 1.77 2.14 0.00 3.24 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 57 V 7.26 3.71 2.26 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 0.83 0.00 0.00 0.96 0.00 0.00 58 D 8.38 4.96 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.79 4.50 0.00 1.84 1.64 0.00 3.48 0.00 0.00 3.17 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 60 F 9.71 4.37 0.00 3.13 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 61 N 7.58 4.36 0.00 2.09 2.55 0.00 0.00 7.09 5.97 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 62 K 7.93 4.31 0.00 1.80 1.83 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 63 R 7.95 4.39 0.00 1.94 1.89 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 64 F 8.40 3.94 0.00 2.98 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 65 N 8.30 4.50 0.00 3.03 3.05 0.00 0.00 6.29 7.75 0.00 0.00 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 8.31 3.63 1.88 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 1.77 0.81 0.90 0.00 0.00 67 P 0.00 4.33 0.00 1.92 1.95 0.00 3.88 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 1.76 2.04 0.00 68 G 7.75 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 0.00 0.00 0.00 69 S 8.07 4.74 0.00 3.98 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 70 K 7.75 4.41 0.00 1.87 1.96 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81