NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5142 0.0000 0.0000 62.6826 33.6153 174.5603 2 F 5.3105 8.7334 122.5085 56.2902 41.7371 172.4488 3 I 4.1571 9.2524 128.4346 59.4770 39.5984 173.7171 4 E 4.7775 8.1861 128.2296 54.3924 31.4662 174.5413 5 C 4.7983 9.0932 124.6461 58.2001 31.4771 172.4862 6 H 5.4867 8.9243 121.1770 54.0998 30.3412 173.5978 7 I 4.8054 8.7689 116.2971 58.4494 41.4422 174.6090 8 A 4.6710 8.4845 123.9844 51.8233 18.9075 177.5567 9 T 4.0509 8.6110 116.1745 62.6270 67.6969 172.9736 10 G 3.4614 8.8023 117.3934 45.5356 0.0000 174.4935 11 L 4.2187 7.5075 120.7250 54.0688 42.5788 177.3933 12 S 4.4289 8.3401 116.9742 57.9464 65.1679 175.8238 13 V 3.6074 8.2457 122.0965 64.8562 31.1173 178.2514 14 A 3.9553 7.9204 120.9770 54.9684 18.3340 179.4121 15 R 3.8574 8.1071 117.1927 59.5075 30.1214 178.9324 16 K 4.0271 8.2236 118.4061 59.4635 32.0664 179.4295 17 Q 4.0062 8.2833 118.4971 58.7969 28.6112 178.3731 18 Q 3.9516 8.2181 120.7110 59.0637 28.9781 178.0460 19 L 3.9410 7.8752 121.2545 58.3787 42.0224 179.1097 20 I 3.6900 7.6839 119.3835 64.5033 37.0710 178.4973 21 R 3.9168 8.0086 118.8326 59.6213 29.8972 178.8528 22 D 4.4286 8.1836 118.3974 56.8871 40.8333 179.0744 23 V 3.5669 8.0939 119.3160 65.9290 31.5298 178.1776 24 I 3.6590 7.9287 119.6401 64.3596 37.0005 177.7038 25 D 4.3081 8.0244 118.8213 57.6326 41.0742 178.6469 26 V 3.6256 7.7705 118.5048 66.1889 31.4506 178.2050 27 T 3.8716 7.9569 115.6160 66.5733 68.2796 176.0405 28 N 4.8896 8.4272 120.7463 56.1232 38.6343 176.7818 29 K 4.1073 7.8947 118.5350 58.9517 32.5472 179.1339 30 S 4.3088 8.1020 113.7545 60.5624 63.1291 175.0136 31 I 4.3293 7.9644 120.1975 60.1551 39.0495 176.5973 32 G 3.9830 8.0166 108.1040 44.9531 0.0000 174.1408 33 S 4.1500 7.8218 116.7273 58.3637 63.4574 173.3432 34 D 4.6563 8.6205 124.6925 53.4696 41.9848 174.9784 35 P 4.2298 0.0000 0.0000 65.8065 31.4748 178.6384 36 K 4.1014 9.0041 116.9290 58.3359 31.9607 177.5613 37 I 4.3425 7.8778 110.6922 60.3568 37.9047 174.8840 38 I 4.5831 7.4444 122.5507 60.3013 38.4149 174.8655 39 N 5.2010 9.2483 124.2846 51.4173 41.9156 173.7278 40 V 5.0465 8.5144 121.6422 61.0499 35.1215 174.1240 41 L 4.8600 9.1517 128.9379 53.1841 45.0189 174.4629 42 L 5.1372 8.6602 127.9521 53.2946 44.2307 175.3812 43 V 4.4332 8.8354 125.7181 61.1782 34.6285 173.6969 44 E 5.1211 8.7784 126.8993 55.1524 31.4105 174.9916 45 H 5.1077 9.2448 120.0132 53.3721 33.4526 173.1763 46 A 4.3281 8.5915 123.4426 52.3504 19.0674 178.9529 47 E 3.9896 8.8596 120.6935 59.2019 29.8526 179.4621 48 A 4.0395 7.9928 120.6559 54.8701 18.5420 177.5537 49 N 4.8256 8.0204 111.6980 53.4555 38.6273 174.7993 50 M 4.8395 7.6413 117.2253 52.8639 35.8906 175.4714 51 S 4.1855 8.5604 116.6752 58.6404 63.7099 174.3083 52 I 3.8110 8.4255 124.4713 63.3656 38.2376 175.0214 53 S 4.6718 7.7269 113.6454 58.4926 69.0053 174.9765 54 G 3.7369 8.0335 112.2409 45.5952 0.0000 172.2424 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 P 0.00 4.51 0.00 2.17 2.28 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 2 F 8.73 5.31 0.00 2.94 2.97 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 0.00 0.00 0.00 0.00 3 I 9.25 4.16 1.82 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 1.05 0.61 0.82 0.00 0.00 4 E 8.19 4.78 0.00 1.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 5 C 9.09 4.80 0.00 2.78 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 6 H 8.92 5.49 0.00 3.02 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.77 4.81 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 1.17 1.26 0.92 0.00 0.00 8 A 8.48 4.67 1.28 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 0.00 0.00 0.00 9 T 8.61 4.05 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 1.22 0.00 0.00 10 G 8.80 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 4.22 0.00 1.63 1.61 0.92 0.88 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 12 S 8.34 4.43 0.00 4.04 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 0.00 13 V 8.25 3.61 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 0.85 0.00 0.00 0.93 0.00 0.00 14 A 7.92 3.96 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.11 3.86 0.00 1.94 2.06 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 16 K 8.22 4.03 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 17 Q 8.28 4.01 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 18 Q 8.22 3.95 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 19 L 7.88 3.94 0.00 1.96 1.90 0.91 1.07 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 20 I 7.68 3.69 2.03 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 1.53 0.56 0.92 0.00 0.00 21 R 8.01 3.92 0.00 2.10 1.99 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 22 D 8.18 4.43 0.00 2.89 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 23 V 8.09 3.57 2.22 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 1.02 0.00 0.00 0.94 0.00 0.00 24 I 7.93 3.66 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 0.43 0.92 0.00 0.00 25 D 8.02 4.31 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.63 2.15 0.00 0.00 0.00 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 0.97 0.00 0.00 27 T 7.96 3.87 4.38 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 1.22 0.00 0.00 28 N 8.43 4.89 0.00 2.83 3.07 0.00 0.00 6.75 5.76 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 29 K 7.89 4.11 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.61 7.81 30 S 8.10 4.31 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.33 2.02 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 1.23 0.68 0.94 0.00 0.00 32 G 8.02 3.98 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 0.00 0.00 0.00 33 S 7.82 4.15 0.00 3.91 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 34 D 8.62 4.66 0.00 2.68 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 35 P 0.00 4.23 0.00 2.22 2.12 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 36 K 9.00 4.10 0.00 1.77 1.88 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 37 I 7.88 4.34 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 1.53 0.65 0.92 0.00 0.00 38 I 7.44 4.58 2.00 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 1.25 0.79 0.94 0.00 0.00 39 N 9.25 5.20 0.00 2.76 2.72 0.00 0.00 5.98 7.87 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 40 V 8.51 5.05 2.12 0.00 0.00 0.00 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 41 L 9.15 4.86 0.00 2.13 1.56 1.13 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.66 5.14 0.00 1.67 1.51 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.84 4.43 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 44 E 8.78 5.12 0.00 1.84 1.82 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 2.21 2.29 0.00 45 H 9.24 5.11 0.00 3.00 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.59 4.33 1.31 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 0.00 0.00 47 E 8.86 3.99 0.00 2.05 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 2.41 2.32 0.00 48 A 7.99 4.04 1.28 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 0.00 0.00 0.00 49 N 8.02 4.83 0.00 2.86 2.84 0.00 0.00 6.76 7.17 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 50 M 7.64 4.84 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 51 S 8.56 4.19 0.00 3.96 3.86 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 52 I 8.43 3.81 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 1.30 0.81 0.91 0.00 0.00 53 S 7.73 4.67 0.00 3.80 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 54 G 8.03 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 0.00 0.00 0.00