NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0116 8.2127 109.7453 45.2819 0.0000 173.8423 2 I 3.1221 7.9722 117.5875 63.0159 37.5868 173.0310 3 V 3.5130 8.3524 120.0805 65.9040 31.6785 177.3278 4 E 3.9642 7.9805 116.8189 59.4706 29.4837 178.6712 5 Q 4.1566 8.2384 118.6977 58.4932 29.3172 176.4221 6 C 5.1084 8.2436 115.3407 56.0064 41.7453 174.1937 7 C 4.2327 8.0862 117.5441 60.1928 28.6311 174.5945 8 T 4.2872 7.8012 108.8047 62.8899 69.2124 174.8186 9 S 4.6256 7.4699 114.4488 56.2138 65.5151 172.7357 10 I 4.0563 8.2142 126.8276 61.4879 37.4014 176.5044 11 C 4.8159 8.6027 123.2585 55.9455 41.4105 174.3761 12 S 4.4814 9.1901 119.8748 58.0300 64.5845 175.5666 13 L 4.0384 8.4378 121.8550 58.0727 41.0846 179.1463 14 Y 4.1767 8.0019 118.1522 60.7899 39.1342 177.5783 15 Q 4.0861 8.2922 118.9245 59.1267 28.8870 178.9662 16 L 4.2839 8.0974 119.7608 57.8770 41.6235 179.4187 17 E 3.9890 7.8729 118.2664 58.8570 29.0478 178.4516 18 N 3.9902 7.4092 116.2490 56.2795 38.8177 175.2768 19 Y 4.4933 7.3645 115.0934 57.0916 38.6521 175.6599 20 C 4.4099 7.1767 118.2216 59.4417 28.9914 173.5283 21 N 4.5293 8.5480 117.9519 53.7774 38.1698 175.3382 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 G 8.21 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.12 0.56 0.00 0.00 0.40 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 0.95 0.62 0.00 0.00 3 V 8.35 3.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.86 0.00 0.00 4 E 7.98 3.96 0.00 2.11 2.01 0.00 0.00 0.00 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 2.42 0.00 5 Q 8.24 4.16 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 6 C 8.24 5.11 0.00 3.00 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 7 C 8.09 4.23 0.00 3.13 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 8 T 7.80 4.29 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 1.24 0.00 0.00 9 S 7.47 4.63 0.00 3.83 3.69 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 0.00 0.00 0.00 10 I 8.21 4.06 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 0.66 0.93 0.00 0.00 11 C 8.60 4.82 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.19 4.48 0.00 4.09 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 4.04 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.18 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 4.09 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 16 L 8.10 4.28 0.00 1.92 1.79 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.87 3.99 0.00 1.90 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 2.30 2.49 0.00 18 N 7.41 3.99 0.00 2.34 2.07 0.00 0.00 7.14 8.13 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 19 Y 7.36 4.49 0.00 3.13 2.96 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 20 C 7.18 4.41 0.00 3.02 2.86 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 21 N 8.55 4.53 0.00 2.71 2.73 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00