NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9071 8.2133 109.7386 45.6507 0.0000 172.9972 2 I 3.8627 7.5792 119.9857 62.0086 36.8591 172.2724 3 V 3.5792 8.6110 120.6242 66.6808 32.1119 177.5549 4 E 3.9076 8.1213 117.7759 58.3683 29.3617 178.2612 5 Q 4.4503 7.4468 116.4784 56.5564 30.1316 175.9678 6 C 4.6112 8.2425 116.6169 59.1876 36.9381 174.9048 7 C 4.2466 8.5935 120.5381 62.1897 30.9069 175.5204 8 T 3.9888 7.7659 117.1016 66.6358 69.1117 173.4270 9 S 4.7174 7.4092 116.8214 58.2525 66.2845 173.9132 10 I 4.4319 8.2374 121.2420 59.5919 39.2194 173.0078 11 C 4.7658 8.2852 119.2128 53.9661 42.6145 173.5043 12 S 4.1514 8.0522 114.9170 57.9920 64.2852 174.5511 13 L 3.8771 7.6452 127.7066 58.3787 41.9873 178.8035 14 Y 4.1528 6.6133 116.9504 60.4307 37.4785 178.2464 15 Q 4.0248 7.3830 119.8784 58.7540 29.4300 177.3670 16 L 2.4400 8.1399 122.4438 57.1220 41.9977 178.4230 17 E 3.9066 8.4222 119.7857 58.8287 29.3782 178.1604 18 N 4.4931 7.9322 115.5768 55.8188 38.6317 176.2896 19 Y 4.4875 7.4021 117.7359 61.6778 38.3171 176.7425 20 C 4.3731 7.9884 118.6690 60.5842 31.7546 172.9013 21 N 4.3127 8.4788 116.6863 54.6052 38.3621 174.8822 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 3.91 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 0.00 0.00 0.00 2 I 7.58 3.86 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.14 0.67 0.00 0.00 3 V 8.61 3.58 2.07 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 1.16 0.00 0.00 0.92 0.00 0.00 4 E 8.12 3.91 0.00 2.06 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 0.00 2.33 2.26 0.00 5 Q 7.45 4.45 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 6 C 8.24 4.61 0.00 3.14 3.21 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 0.00 0.00 0.00 0.00 7 C 8.59 4.25 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.99 4.38 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 1.21 0.00 0.00 9 S 7.41 4.72 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.43 1.84 0.00 0.00 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 1.33 0.52 0.86 0.00 0.00 11 C 8.29 4.77 0.00 3.02 3.15 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 12 S 8.05 4.15 0.00 3.74 2.88 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 13 L 7.65 3.88 0.00 1.47 1.34 0.90 0.73 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 14 Y 6.61 4.15 0.00 3.26 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.02 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.52 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 16 L 8.14 2.44 0.00 1.25 1.52 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.42 3.91 0.00 1.93 2.05 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 2.30 2.49 0.00 18 N 7.93 4.49 0.00 3.02 3.02 0.00 0.00 7.10 6.81 0.00 0.00 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 7.40 4.49 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.37 0.00 3.16 2.94 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 21 N 8.48 4.31 0.00 2.68 2.60 0.00 0.00 6.68 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