NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2155 8.0549 114.0090 61.4669 33.3565 174.9262 2 I 4.0585 8.2602 124.5591 60.5843 38.2479 173.3123 3 H 5.0991 7.9488 117.7368 55.0338 33.6463 170.9229 4 C 4.8134 8.3303 113.5242 56.3897 47.2971 174.0719 5 D 4.0758 6.9071 118.8984 52.6546 41.1689 176.5292 6 A 4.8365 6.9055 135.0000 52.8909 20.2592 176.4628 7 A 4.5522 7.7063 115.3572 54.0195 21.1213 176.9720 8 T 4.0099 7.7073 111.4276 64.2028 69.0646 173.2996 9 I 4.4417 8.0009 123.4739 59.5333 41.1761 175.0601 10 C 5.0522 8.3749 121.8975 54.4161 46.7012 172.8959 11 P 4.8330 0.0000 0.0000 62.8051 33.0165 175.0259 12 D 4.7053 8.7586 118.6299 54.5515 42.8137 175.9358 13 G 3.7213 8.9438 108.0780 45.9233 0.0000 172.0194 14 T 4.7617 7.4239 105.9448 61.1536 72.4520 173.9336 15 T 4.7108 9.1744 116.3421 60.0263 70.5727 172.3234 16 C 4.4588 8.8881 125.7684 58.0018 41.9014 172.9988 17 S 4.8004 9.3797 116.8225 57.0614 66.1292 172.0370 18 L 4.6694 8.1938 125.8999 52.9661 43.6382 176.3981 19 S 4.5871 9.0929 121.2441 56.9369 63.9697 173.2982 20 P 4.1225 0.0000 0.0000 64.7306 31.0734 176.5167 21 Y 4.5632 6.9972 115.3574 57.7656 38.2169 175.9461 22 G 3.6524 8.0228 108.0238 45.4970 0.0000 173.2577 23 V 4.1978 7.8897 120.6974 61.1052 32.8698 175.0946 24 W 5.1702 8.9137 128.6846 56.8776 30.0635 175.0432 25 Y 4.8347 8.9280 121.3582 56.8858 41.4582 171.7401 26 C 5.2639 9.0794 119.5475 54.9370 44.3159 172.5361 27 S 5.2601 8.8301 120.6354 55.7298 65.0055 171.2110 28 P 4.6845 0.0000 0.0000 62.7112 31.5070 175.8111 29 F 4.8586 7.6961 119.6416 55.3584 40.2970 175.7141 30 S 4.3562 8.5294 114.2413 59.1684 62.0639 174.9842 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 V 8.05 4.22 2.19 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 0.88 0.00 0.00 0.94 0.00 0.00 2 I 8.26 4.06 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.88 0.00 0.00 3 H 7.95 5.10 0.00 3.05 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.33 4.81 0.00 2.78 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 5 D 6.91 4.08 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 6.91 4.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.55 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.01 4.17 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 1.31 0.00 0.00 9 I 8.00 4.44 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.77 0.00 0.00 10 C 8.37 5.05 0.00 2.90 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 11 P 0.00 4.83 0.00 2.13 2.11 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 12 D 8.76 4.71 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.42 4.76 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 15 T 9.17 4.71 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 16 C 8.89 4.46 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.38 4.80 0.00 3.69 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 18 L 8.19 4.67 0.00 0.95 1.05 0.33 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.09 4.59 0.00 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 1.75 1.92 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.46 0.00 21 Y 7.00 4.56 0.00 3.02 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 22 G 8.02 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.89 4.20 2.19 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 0.97 0.00 0.00 1.07 0.00 0.00 24 W 8.91 5.17 0.00 3.32 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 25 Y 8.93 4.83 0.00 3.10 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 26 C 9.08 5.26 0.00 3.04 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 27 S 8.83 5.26 0.00 4.08 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.05 2.02 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 F 7.70 4.86 0.00 3.15 3.18 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 0.00 0.00 0.00 30 S 8.53 4.36 0.00 3.75 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00