NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9244 8.1976 109.7336 45.7990 0.0000 173.6800 2 I 4.1343 8.0114 111.2980 59.4175 39.2000 171.8597 3 V 4.1006 7.6482 120.5992 63.7085 32.5821 178.7747 4 E 3.8361 8.0260 119.2169 58.7258 29.4388 177.5555 5 Q 3.9523 7.5486 118.0427 59.8621 28.8499 177.7784 6 C 4.3277 8.1959 116.9682 59.1493 40.4394 174.4867 7 C 4.3869 7.1148 117.5173 60.9976 32.3083 175.0309 8 T 4.1230 8.1945 114.3002 65.7776 67.5099 173.6414 9 S 4.8452 8.4128 115.5402 57.2250 66.0912 172.9323 10 I 4.5386 8.2307 121.1581 60.6271 39.1843 174.0674 11 C 5.1625 8.3221 117.0254 54.0928 44.2830 171.8335 12 S 4.7209 8.4300 114.3215 57.6217 65.0216 173.7477 13 L 4.5847 8.4369 119.9306 55.0929 42.2286 176.0449 14 Y 4.2212 7.9053 120.5198 59.3750 39.5306 177.0018 15 Q 3.6114 7.5905 115.3911 60.4908 28.5630 178.8007 16 L 3.5187 7.5673 122.1809 57.2638 42.0174 178.6489 17 E 3.8951 7.4017 117.9112 57.5859 29.5855 176.7905 18 N 4.8174 7.4069 114.6787 53.5607 39.8876 173.6511 19 Y 5.0359 7.5726 116.9915 58.9898 39.1759 175.8007 20 C 4.9952 8.0421 109.4477 57.0637 29.6478 173.3672 21 N 4.5860 7.8237 120.4787 53.6767 37.0916 174.8802 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 8.20 3.92 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 0.00 0.00 0.00 2 I 8.01 4.13 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.78 0.00 0.00 3 V 7.65 4.10 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 0.93 0.00 0.00 0.97 0.00 0.00 4 E 8.03 3.84 0.00 2.09 1.97 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 2.37 2.42 0.00 5 Q 7.55 3.95 0.00 2.43 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 6 C 8.20 4.33 0.00 3.02 3.17 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 0.00 0.00 0.00 0.00 7 C 7.11 4.39 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.12 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 S 8.41 4.85 0.00 3.84 3.76 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 10 I 8.23 4.54 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 1.48 0.83 0.92 0.00 0.00 11 C 8.32 5.16 0.00 3.07 3.11 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 0.00 0.00 0.00 12 S 8.43 4.72 0.00 4.02 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 13 L 8.44 4.58 0.00 1.65 1.68 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.91 4.22 0.00 3.00 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 15 Q 7.59 3.61 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 16 L 7.57 3.52 0.00 1.67 1.67 1.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.40 3.90 0.00 1.84 1.77 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 2.02 2.12 0.00 18 N 7.41 4.82 0.00 2.51 2.71 0.00 0.00 7.27 8.53 0.00 0.00 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 7.57 5.04 0.00 2.93 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 20 C 8.04 5.00 0.00 3.02 2.91 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 21 N 7.82 4.59 0.00 2.79 2.78 0.00 0.00 6.28 7.69 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