NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8275 8.1976 109.7371 42.6238 0.0000 174.1651 4 I 2.9694 8.6164 113.3910 60.7836 37.9212 172.9339 5 R 4.7565 8.5425 122.5884 53.8621 31.8249 177.0815 6 E 4.2237 8.5559 123.9592 55.8937 31.2739 176.7961 7 K 4.5828 8.5543 122.3200 56.2066 32.5534 176.6643 8 I 4.4614 8.7526 127.5145 60.0896 39.2373 175.3498 9 K 5.0676 8.4660 123.6983 55.2246 34.8159 175.4529 10 L 5.1036 8.5451 125.0761 53.3142 43.3829 176.0937 11 V 5.0163 8.8705 122.8087 61.0203 34.7963 174.5879 12 S 3.6886 8.1895 120.0596 57.7872 62.3880 174.5349 13 S 4.3131 8.2912 120.7512 60.4726 63.4717 174.6234 14 A 4.1417 8.0203 124.2772 51.7046 18.6293 178.1827 15 G 3.8341 8.4147 106.5010 46.7644 0.0000 174.0006 16 T 4.2674 7.3649 114.7357 61.1896 68.1678 174.7015 17 G 3.9120 8.3847 112.5656 45.9143 0.0000 173.7164 18 H 4.5014 8.0675 121.3084 57.0085 31.0215 173.8008 19 F 5.2464 7.5864 116.8914 56.7931 40.5553 171.7211 20 Y 4.5293 9.0134 117.3046 56.7509 41.3919 174.5010 21 T 4.7717 8.0242 112.5605 62.1829 70.3969 173.6123 22 T 4.4409 8.7506 120.3356 62.4739 73.1547 171.2618 23 T 5.3433 8.5802 109.4567 60.6265 72.3847 172.8038 24 K 4.4738 8.8090 121.3527 54.9929 36.2198 175.0868 25 N 4.9205 8.2222 123.8640 51.5086 37.2949 175.2599 26 K 3.7876 7.8722 123.3178 59.6905 33.0078 178.0642 27 R 4.0404 7.3297 117.3961 58.8840 30.0081 177.1450 28 T 4.6013 8.6708 104.0640 60.8226 70.6894 173.7549 29 K 5.5328 7.3892 119.6047 54.3860 32.4387 175.7515 30 P 4.4815 0.0000 0.0000 63.3579 31.5292 176.6249 31 E 4.4097 8.2474 118.9458 54.2067 29.8884 175.7294 32 K 4.1083 8.6449 122.6949 56.2139 32.6779 176.2282 33 L 4.6603 8.4271 125.6071 54.4923 43.7484 174.9307 34 E 5.7003 8.6295 121.1189 55.2728 32.4481 174.7389 35 L 4.3562 8.9202 118.0644 55.5275 44.1404 170.9057 36 K 4.8930 9.0142 127.1856 56.5518 32.2842 174.9467 37 K 4.5847 8.4853 120.6993 55.1316 37.1326 174.2679 38 F 4.6570 8.6162 123.4711 58.2832 40.3087 174.8118 39 D 4.8316 7.5600 125.0473 50.8678 41.2917 174.4171 40 P 3.8755 0.0000 0.0000 65.4026 31.6852 178.1057 41 V 3.6196 7.6737 115.6692 66.1005 31.2658 177.0901 42 V 3.7482 8.4423 116.6315 62.9023 31.6552 175.6760 43 R 3.7793 7.7074 117.3096 57.0730 27.8267 175.9824 44 Q 4.8932 7.2090 113.4770 54.7525 33.7064 174.2468 45 H 4.9916 9.1316 121.8856 56.4853 29.3802 175.1006 46 V 4.5955 8.7849 122.7367 60.2548 35.6243 173.8051 47 I 4.4996 8.2065 120.3600 61.1262 38.8237 174.6811 48 Y 5.0505 8.8263 123.8063 56.4955 40.7444 174.6608 49 K 5.2220 8.7971 126.5593 55.0218 36.1084 170.6418 50 E 3.7968 9.1541 126.7846 56.8591 29.2946 175.5880 51 A 4.3280 8.5395 128.3105 54.7927 20.4274 176.0737 52 K 4.3668 8.1658 125.6173 57.2375 32.2603 175.3483 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 3 G 8.20 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 4 I 8.62 2.97 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 1.42 0.65 0.91 0.00 0.00 5 R 8.54 4.76 0.00 1.69 1.93 0.00 3.29 0.00 0.00 3.08 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 6 E 8.56 4.22 0.00 1.98 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 0.00 2.40 2.41 0.00 7 K 8.55 4.58 0.00 1.66 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 8 I 8.75 4.46 1.90 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 1.30 0.96 0.96 0.00 0.00 9 K 8.47 5.07 0.00 1.83 1.93 0.00 1.64 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 10 L 8.55 5.10 0.00 1.87 1.90 1.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.87 5.02 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 0.97 0.00 0.00 0.96 0.00 0.00 12 S 8.19 3.69 0.00 3.58 3.74 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 13 S 8.29 4.31 0.00 3.87 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 14 A 8.02 4.14 1.20 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 15 G 8.41 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 16 T 7.36 4.27 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 1.22 0.00 0.00 17 G 8.38 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 18 H 8.07 4.50 0.00 3.24 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.59 5.25 0.00 3.47 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 20 Y 9.01 4.53 0.00 2.72 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 21 T 8.02 4.77 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 22 T 8.75 4.44 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 1.23 0.00 0.00 23 T 8.58 5.34 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 1.24 0.00 0.00 24 K 8.81 4.47 0.00 1.85 1.64 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 25 N 8.22 4.92 0.00 2.76 2.70 0.00 0.00 6.51 6.75 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 26 K 7.87 3.79 0.00 1.87 1.98 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.58 7.81 27 R 7.33 4.04 0.00 2.27 2.01 0.00 3.16 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 28 T 8.67 4.60 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 29 K 7.39 5.53 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.47 7.81 30 P 0.00 4.48 0.00 2.04 2.08 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 31 E 8.25 4.41 0.00 2.11 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 0.00 2.23 2.41 0.00 32 K 8.64 4.11 0.00 1.78 1.86 0.00 1.80 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.35 7.81 33 L 8.43 4.66 0.00 1.79 1.54 0.94 0.84 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 34 E 8.63 5.70 0.00 2.07 1.89 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 2.20 2.17 0.00 35 L 8.92 4.36 0.00 1.62 1.75 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 K 9.01 4.89 0.00 2.02 2.03 0.00 1.84 0.00 0.00 2.41 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.47 7.81 37 K 8.49 4.58 0.00 0.79 0.97 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.20 7.81 38 F 8.62 4.66 0.00 2.82 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 39 D 7.56 4.83 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.88 0.00 1.92 2.12 0.00 2.88 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 41 V 7.67 3.62 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 0.72 0.00 0.00 0.92 0.00 0.00 42 V 8.44 3.75 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 0.78 0.00 0.00 0.95 0.00 0.00 43 R 7.71 3.78 0.00 1.98 2.12 0.00 3.38 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 44 Q 7.21 4.89 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 45 H 9.13 4.99 0.00 3.17 3.41 0.00 5.79 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 46 V 8.78 4.60 2.05 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 0.53 0.00 0.00 0.88 0.00 0.00 47 I 8.21 4.50 1.85 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 1.36 0.61 0.94 0.00 0.00 48 Y 8.83 5.05 0.00 2.91 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 49 K 8.80 5.22 0.00 1.82 1.69 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.25 7.81 50 E 9.15 3.80 0.00 2.28 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 0.00 2.33 2.44 0.00 51 A 8.54 4.33 1.35 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 52 K 8.17 4.37 0.00 1.85 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81