NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3851 8.3349 115.4062 57.9407 65.0205 173.3460 0 H 5.2170 7.7678 116.9721 51.7618 32.3006 170.8050 1 M 4.7701 9.1586 117.2020 54.3964 35.5002 172.7845 2 Q 4.9767 8.4930 121.0728 54.8007 31.2711 174.2200 3 I 4.7106 8.4873 118.6224 59.0763 41.7620 173.8380 4 F 5.3551 8.9539 121.5437 55.7692 42.0245 174.9330 5 V 4.9190 9.0288 122.6584 61.1450 34.1383 174.2918 6 K 5.2361 9.0886 127.8185 54.7299 35.5484 176.9318 7 T 4.7155 8.4866 114.3590 60.4327 70.0250 174.8910 8 L 4.3290 8.3128 119.8003 56.1611 41.8342 177.9736 9 T 4.1394 7.4214 107.1257 61.9630 69.2924 175.8869 10 G 3.9508 7.8433 111.0558 44.5325 0.0000 173.7777 11 K 4.0787 7.6171 120.9471 57.1870 33.0796 175.7268 12 T 5.3680 8.5272 122.7570 61.7049 72.4218 173.1496 13 I 4.8280 9.0636 118.0063 59.3625 40.9627 174.3168 14 T 5.0073 8.5403 114.3156 60.5657 70.8494 173.8504 15 L 4.7704 8.4692 122.4400 53.2378 46.5192 175.0014 16 E 4.8853 8.7268 122.3400 55.4609 30.7149 175.7606 17 V 4.7211 8.9303 117.2311 59.8523 36.9241 173.9463 18 E 5.0240 9.2375 120.4946 53.9884 32.1602 176.3062 19 P 4.1649 0.0000 0.0000 65.3197 31.5750 178.1494 20 S 4.4870 7.8282 110.2344 58.6381 63.9379 174.1981 21 D 4.4528 8.0363 123.3816 54.5608 41.3019 176.2045 22 T 4.6832 8.2006 113.5201 61.1595 71.3553 175.9225 23 I 3.7033 8.5426 123.2902 64.6210 37.0261 178.4792 24 E 3.9375 8.2305 120.0937 59.2964 29.4136 178.6415 25 N 4.3312 8.2443 116.7054 56.1213 38.4863 177.6145 26 V 3.5560 7.7234 119.7444 65.9218 31.6013 178.1910 27 K 4.1562 8.5025 119.4907 58.9742 31.9099 179.2089 28 A 3.9939 8.2621 121.0116 54.9851 18.2408 179.8817 29 K 3.9961 8.0390 117.2797 59.5236 32.1055 179.6965 30 I 3.7506 7.9361 120.4676 64.2682 36.9687 178.2086 31 Q 4.2521 8.2453 121.9923 58.8503 28.6821 178.0837 32 D 4.4852 8.0161 118.8060 56.7567 40.8200 178.2480 33 K 4.2772 7.6039 117.4959 57.9440 32.8203 177.8994 34 E 4.6321 8.7059 116.0943 55.0828 31.2828 177.3374 35 G 3.8381 8.2914 106.6568 45.5135 0.0000 173.2300 36 I 4.1209 7.3815 121.2804 59.1266 37.5934 173.8340 37 P 4.5415 0.0000 0.0000 61.8414 32.0201 175.7397 38 P 4.3037 0.0000 0.0000 65.7567 31.4840 178.6313 39 D 4.3389 8.0052 116.5041 56.1849 39.7192 177.1642 40 Q 4.1798 8.0844 117.1302 56.8608 28.9559 174.8421 41 Q 4.8836 8.2471 119.1981 54.0681 31.1153 174.4098 42 R 4.7334 8.9469 124.7423 54.4933 32.7514 174.3154 43 L 5.2012 8.4572 125.5583 53.2095 44.5923 175.3170 44 I 5.0163 8.8192 123.3836 59.5768 41.3370 174.4066 45 F 4.9659 8.6955 127.4259 57.1812 43.0808 174.1673 46 A 3.6858 8.8082 128.7963 53.1950 15.8906 177.1619 47 G 3.9021 8.3217 103.8952 47.1543 0.0000 174.0246 48 K 4.5121 7.7263 118.3374 54.0355 34.6492 175.1784 49 Q 4.2019 8.7845 125.4265 56.3820 29.4496 175.4653 50 L 4.1493 8.5339 127.1287 54.1752 43.0593 176.0074 51 E 4.5825 8.9727 122.9624 54.7926 31.2314 176.8767 52 D 4.4116 9.1604 124.1314 57.5850 41.1185 179.1872 53 G 3.7166 7.9799 105.9774 47.3949 0.0000 174.0579 54 R 4.2591 7.9269 119.3085 55.8041 30.8414 175.6671 55 T 4.9971 8.3401 110.0118 59.8906 71.1125 175.9842 56 L 4.3015 8.4778 121.6960 57.8166 41.9277 180.2961 57 S 4.1857 8.2860 113.4219 61.0878 63.2011 176.1781 58 D 4.2316 7.6901 120.5223 56.8983 40.5006 176.6929 59 Y 4.4723 7.2721 114.2161 56.8977 38.3450 174.7439 60 N 4.1431 7.8987 117.3806 54.4749 37.8740 174.3598 61 I 3.5167 7.7922 118.0142 60.7656 37.7366 176.3945 62 Q 4.5364 8.3652 125.2123 53.3329 30.9571 175.0235 63 K 4.1937 8.2347 118.1009 58.5331 32.7936 177.0605 64 E 3.7478 9.4956 121.0819 56.7378 28.0395 174.9681 65 S 4.5420 7.7907 115.6744 59.1609 64.3012 173.2739 66 T 5.1869 8.7200 118.7769 62.0756 70.3945 173.7773 67 L 4.9511 9.1555 127.1078 53.9418 44.1598 175.3448 68 H 5.3209 9.4411 119.5016 54.3869 30.7822 173.6556 69 L 5.1426 9.0038 124.5212 53.3282 44.5030 175.2187 70 V 4.5447 8.5860 125.2750 60.6885 35.0969 174.1976 71 L 4.4946 8.6086 129.2116 55.2157 42.8574 175.9261 72 R 4.5430 8.5897 125.6870 54.8269 31.0861 176.4272 73 L 4.5091 8.4086 123.9905 53.3113 43.4016 176.6597 74 R 4.1211 8.3136 119.2805 56.4643 30.9646 177.3000 75 G 4.3107 8.5875 107.7700 46.3123 0.0000 173.5559 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 S 8.33 4.39 0.00 3.89 4.03 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 0.00 0.00 0.00 0 H 7.77 5.22 0.00 3.05 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.16 4.77 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 2 Q 8.49 4.98 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 3 I 8.49 4.71 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 1.11 0.67 0.79 0.00 0.00 4 F 8.95 5.36 0.00 3.04 2.93 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 5 V 9.03 4.92 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 9.09 5.24 0.00 1.61 1.64 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.36 7.81 7 T 8.49 4.72 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 8 L 8.31 4.33 0.00 1.67 1.75 0.92 0.79 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 9 T 7.42 4.14 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 10 G 7.84 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 11 K 7.62 4.08 0.00 1.95 1.71 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 12 T 8.53 5.37 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 1.33 0.00 0.00 13 I 9.06 4.83 1.89 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 1.44 1.35 0.98 0.00 0.00 14 T 8.54 5.01 4.14 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 1.36 0.00 0.00 15 L 8.47 4.77 0.00 1.49 1.47 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.89 0.00 1.80 1.85 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 2.20 2.21 0.00 17 V 8.93 4.72 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 0.72 0.00 0.00 0.86 0.00 0.00 18 E 9.24 5.02 0.00 2.00 1.75 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 0.00 2.27 2.18 0.00 19 P 0.00 4.16 0.00 2.14 2.08 0.00 3.53 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 2.08 2.05 0.00 20 S 7.83 4.49 0.00 3.96 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 21 D 8.04 4.45 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.68 4.43 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 1.22 0.00 0.00 23 I 8.54 3.70 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.93 0.89 0.00 0.00 24 E 8.23 3.94 0.00 2.22 1.95 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 2.31 2.40 0.00 25 N 8.24 4.33 0.00 3.06 2.85 0.00 0.00 6.61 7.12 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 26 V 7.72 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 27 K 8.50 4.16 0.00 1.98 1.85 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 28 A 8.26 3.99 1.38 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 0.00 0.00 29 K 8.04 4.00 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.72 7.81 30 I 7.94 3.75 2.15 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 1.41 0.68 0.96 0.00 0.00 31 Q 8.25 4.25 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.02 4.49 0.00 2.88 2.72 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 33 K 7.60 4.28 0.00 1.84 1.85 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 34 E 8.71 4.63 0.00 1.92 1.96 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 2.34 2.43 0.00 35 G 8.29 3.84 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 0.00 0.00 0.00 36 I 7.38 4.12 1.87 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 0.86 0.91 0.00 0.00 37 P 0.00 4.54 0.00 2.34 1.97 0.00 3.77 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 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.17 2.20 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.01 4.34 0.00 2.77 2.80 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 40 Q 8.08 4.18 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 41 Q 8.25 4.88 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 42 R 8.95 4.73 0.00 1.85 1.75 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 43 L 8.46 5.20 0.00 1.59 1.51 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.82 5.02 1.91 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 1.11 0.67 0.91 0.00 0.00 45 F 8.70 4.97 0.00 2.99 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 46 A 8.81 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.32 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.51 0.00 2.03 1.96 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.36 7.81 49 Q 8.78 4.20 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 50 L 8.53 4.15 0.00 1.48 1.27 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.97 4.58 0.00 2.08 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 2.32 2.40 0.00 52 D 9.16 4.41 0.00 2.72 2.76 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 0.00 0.00 0.00 0.00 53 G 7.98 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 0.00 0.00 0.00 54 R 7.93 4.26 0.00 2.16 1.94 0.00 3.19 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 55 T 8.34 5.00 4.47 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 1.26 0.00 0.00 56 L 8.48 4.30 0.00 1.89 1.70 0.95 0.90 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 57 S 8.29 4.19 0.00 4.00 4.15 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 0.00 0.00 0.00 0.00 58 D 7.69 4.23 0.00 2.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.27 4.47 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 60 N 7.90 4.14 0.00 2.90 2.99 0.00 0.00 7.15 7.23 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 61 I 7.79 3.52 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.58 0.00 0.00 62 Q 8.37 4.54 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 63 K 8.23 4.19 0.00 1.83 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 E 9.50 3.75 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 65 S 7.79 4.54 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 66 T 8.72 5.19 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 1.18 0.00 0.00 67 L 9.16 4.95 0.00 1.57 1.71 0.84 0.74 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 68 H 9.44 5.32 0.00 3.05 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.00 5.14 0.00 1.71 1.51 0.98 0.77 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 70 V 8.59 4.54 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.61 4.49 0.00 1.68 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.59 4.54 0.00 1.94 1.85 0.00 3.33 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 73 L 8.41 4.51 0.00 1.63 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.31 4.12 0.00 1.80 1.86 0.00 3.52 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 8.59 4.31 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 0.00