NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9671 8.2127 109.7376 45.3858 0.0000 176.4746 2 I 3.2940 8.2354 122.1599 62.8017 37.6717 172.2750 3 V 3.5036 8.3777 120.0542 65.9955 31.9735 177.3350 4 E 3.9935 8.0401 117.8945 59.4118 28.0108 179.1106 5 Q 4.1162 8.1044 117.7451 58.3516 28.6199 177.1599 6 C 4.6752 8.2372 115.6950 56.0418 41.5123 174.0951 7 C 4.4413 7.8092 116.9119 59.9043 28.8967 174.8913 8 T 4.2066 7.5869 116.2685 65.3140 68.2738 174.9303 9 S 4.7623 7.3980 113.7548 56.0351 66.3523 173.2408 10 I 3.9138 8.1768 121.5980 61.4919 37.5113 176.3432 11 C 4.9050 8.3904 121.0897 55.1699 43.3879 174.7509 12 S 4.4984 8.3072 118.7484 57.6247 65.2100 175.2641 13 L 4.0316 8.3997 120.8356 58.1802 41.0342 179.1472 14 Y 4.2818 7.9847 117.9839 60.8462 39.0170 177.5014 15 Q 3.9132 7.9963 118.9088 58.7538 28.7757 178.5215 16 L 4.1513 8.0983 120.0946 58.0075 41.8540 179.1308 17 E 3.9309 8.2906 118.9649 59.1794 29.1647 178.0622 18 N 3.9773 7.3477 116.5723 56.1295 38.7735 174.6479 19 Y 4.5258 7.6268 114.6252 57.6894 38.5561 175.6181 20 C 4.4610 7.7172 117.8059 59.3215 29.0397 173.5394 21 N 4.5363 8.5628 118.0731 53.7560 38.2266 175.3484 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 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.24 3.29 0.84 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 0.65 0.00 0.00 3 V 8.38 3.50 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.86 0.00 0.00 4 E 8.04 3.99 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 2.39 2.44 0.00 5 Q 8.10 4.12 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 6 C 8.24 4.68 0.00 2.94 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 7 C 7.81 4.44 0.00 3.28 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.21 4.34 0.00 0.00 0.00 0.00 0.00 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 7.40 4.76 0.00 4.06 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 10 I 8.18 3.91 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 0.54 0.92 0.00 0.00 11 C 8.39 4.91 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.50 0.00 4.11 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 8.40 4.03 0.00 1.78 1.83 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.28 0.00 2.87 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 8.00 3.91 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 16 L 8.10 4.15 0.00 1.90 1.79 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.29 3.93 0.00 2.06 2.18 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 2.33 2.54 0.00 18 N 7.35 3.98 0.00 2.30 2.44 0.00 0.00 7.10 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.63 4.53 0.00 3.02 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 7.72 4.46 0.00 3.01 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 8.56 4.54 0.00 2.72 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