NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1616 8.2649 123.5758 52.2787 20.0579 176.3360 2 T 4.1827 8.0937 117.0336 61.8889 69.6298 172.8918 3 C 5.4873 8.9890 124.0157 55.1775 44.8704 173.0390 4 Y 4.8139 8.8194 117.6232 56.5460 41.9455 174.3016 5 C 5.1080 9.0102 121.2286 56.3144 41.1623 172.9321 6 R 4.8976 9.1770 124.6976 54.5300 31.4071 178.3287 7 T 3.7518 9.0659 114.1079 63.8245 69.5114 174.1911 8 G 4.3022 7.5417 110.7212 43.8943 0.0000 172.9931 9 R 4.2041 8.2971 118.5442 55.7313 30.8906 177.1987 10 C 4.3793 8.4979 117.3597 57.0142 41.8819 173.8915 11 A 4.3121 9.1589 126.6464 51.2430 18.9675 177.1586 12 T 3.9457 8.1716 115.6270 66.1225 68.5793 174.5423 13 H 4.3146 9.0251 121.2696 56.1641 26.1443 174.2232 14 E 4.9483 8.0156 118.5382 54.7882 31.9208 175.2354 15 S 4.8304 8.6059 115.8085 56.4976 67.0249 173.6094 16 L 4.5887 8.6076 125.2953 55.4430 41.6170 176.3515 17 S 4.5683 9.5397 123.1983 57.8999 64.3175 175.6703 18 G 3.9949 6.8987 105.8897 46.1465 0.0000 171.3634 19 V 5.0978 8.0633 113.0025 59.9463 36.0293 175.7316 20 C 5.1092 9.2357 119.4604 55.3091 43.6214 172.9917 21 E 5.1769 8.7676 121.3460 54.8292 31.2748 175.7540 22 I 4.4022 8.7113 125.6176 60.4721 40.2638 175.9705 23 S 3.4604 9.8965 123.3205 59.7394 60.2908 173.4077 24 G 3.9593 8.5319 104.0370 45.6649 0.0000 173.4795 25 R 4.6203 8.0049 118.9790 53.9563 33.1064 173.6143 26 L 5.1755 8.2444 125.1323 54.1916 43.6341 175.0401 27 Y 4.8535 9.0312 122.2163 55.9365 42.6337 175.0279 28 R 4.3464 8.8016 121.3913 56.2862 31.8082 175.7432 29 L 4.9130 8.8906 126.4295 54.2876 43.1857 174.2264 30 C 5.4541 9.2205 125.4860 55.5817 42.4605 172.7279 31 C 5.7623 9.3632 121.1935 54.9922 44.4203 174.5126 32 R 4.3054 8.5867 116.7815 56.5593 28.9125 174.9252 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 A 8.26 4.16 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 2 T 8.09 4.18 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 1.14 0.00 0.00 3 C 8.99 5.49 0.00 2.64 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 4 Y 8.82 4.81 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 5 C 9.01 5.11 0.00 2.68 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 6 R 9.18 4.90 0.00 1.86 1.89 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 7 T 9.07 3.75 4.18 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 0.00 0.00 0.00 1.27 0.00 0.00 8 G 7.54 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 4.20 0.00 1.82 1.88 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 10 C 8.50 4.38 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.16 4.31 1.26 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 12 T 8.17 3.95 4.08 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 0.96 0.00 0.00 13 H 9.03 4.31 0.00 3.33 3.48 0.00 5.68 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.02 4.95 0.00 2.13 1.91 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 2.34 2.30 0.00 15 S 8.61 4.83 0.00 3.73 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 16 L 8.61 4.59 0.00 1.66 1.62 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.54 4.57 0.00 3.74 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 18 G 6.90 3.99 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 0.00 0.00 0.00 19 V 8.06 5.10 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 0.79 0.00 0.00 0.96 0.00 0.00 20 C 9.24 5.11 0.00 2.81 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 21 E 8.77 5.18 0.00 1.84 1.91 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 2.25 2.33 0.00 22 I 8.71 4.40 1.69 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.83 0.00 0.00 23 S 9.90 3.46 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 24 G 8.53 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 0.00 0.00 0.00 25 R 8.00 4.62 0.00 1.83 2.02 0.00 2.98 0.00 0.00 2.88 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.33 0.00 26 L 8.24 5.18 0.00 1.68 1.51 1.02 0.83 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 27 Y 9.03 4.85 0.00 2.92 2.95 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 28 R 8.80 4.35 0.00 1.85 1.90 0.00 3.36 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 29 L 8.89 4.91 0.00 1.78 1.69 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 C 9.22 5.45 0.00 3.02 3.18 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 0.00 0.00 0.00 0.00 31 C 9.36 5.76 0.00 2.82 2.92 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 0.00 0.00 0.00 32 R 8.59 4.31 0.00 1.84 1.98 0.00 3.19 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00