NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9454 8.2127 109.7376 44.8495 0.0000 175.5175 2 I 3.3202 8.6934 123.4437 63.1603 37.4388 171.6702 3 V 3.5075 8.4066 119.8202 66.1119 31.5397 177.1469 4 E 3.9468 8.0240 117.4122 59.4258 29.3604 178.7108 5 Q 4.2215 7.7695 118.9558 59.7489 28.9077 177.8407 6 C 4.1972 7.6131 115.8668 59.9876 40.2382 175.5408 7 C 4.2370 7.4081 118.6771 62.4410 31.5167 175.4140 8 T 4.0997 8.6765 111.0916 62.2108 68.9933 175.4168 9 S 4.6743 8.7206 110.8828 57.5510 61.6086 176.6066 10 I 4.7273 8.3594 106.9037 59.6889 40.0449 172.3206 11 C 5.0427 8.3579 114.4611 54.3455 40.5536 173.2208 12 S 5.0113 8.6339 115.2431 56.2921 65.2044 175.3306 13 L 3.9714 8.4222 121.4376 58.2603 41.0177 179.4950 14 Y 4.0610 7.4780 114.7287 60.9445 38.1359 178.0334 15 Q 4.2556 8.1745 119.2351 58.9016 28.8462 178.5956 16 L 4.2027 7.9794 119.6477 57.7937 41.6501 178.8216 17 E 4.0602 8.3198 118.9156 58.9493 29.2166 178.5142 18 N 4.2846 7.9037 115.0673 55.9850 38.6171 175.3140 19 Y 4.2068 7.7593 115.7935 58.5207 38.5148 175.6935 20 C 4.3902 7.4925 118.3936 59.2983 28.9618 173.2237 21 N 4.4889 8.5839 119.6481 53.9925 38.5805 174.8168 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 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 2 I 8.69 3.32 1.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.98 -0.09 0.00 0.00 3 V 8.41 3.51 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 0.96 0.00 0.00 0.79 0.00 0.00 4 E 8.02 3.95 0.00 2.22 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 2.39 2.41 0.00 5 Q 7.77 4.22 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 6 C 7.61 4.20 0.00 2.91 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 7 C 7.41 4.24 0.00 3.07 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 8 T 8.68 4.10 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 1.27 0.00 0.00 9 S 8.72 4.67 0.00 3.81 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 10 I 8.36 4.73 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 0.69 0.92 0.00 0.00 11 C 8.36 5.04 0.00 3.19 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 12 S 8.63 5.01 0.00 4.19 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 0.00 13 L 8.42 3.97 0.00 1.59 1.46 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.48 4.06 0.00 3.07 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 15 Q 8.17 4.26 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 16 L 7.98 4.20 0.00 2.04 1.80 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 4.06 0.00 2.13 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 2.30 2.32 0.00 18 N 7.90 4.28 0.00 2.59 2.49 0.00 0.00 6.98 7.41 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 19 Y 7.76 4.21 0.00 3.23 3.09 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 0.00 0.00 0.00 0.00 20 C 7.49 4.39 0.00 2.98 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 N 8.58 4.49 0.00 2.69 2.69 0.00 0.00 6.88 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