NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2711 8.1127 120.8601 56.6555 32.2629 177.1151 2 M 3.8409 8.0608 116.7582 57.8693 32.0511 176.4372 3 K 3.9372 8.2164 119.5654 59.2821 32.7600 178.0753 4 Q 3.8905 7.9254 119.4414 59.2518 29.1754 177.5873 5 I 3.6427 8.1708 121.3200 64.6258 37.2331 177.7335 6 E 3.9127 8.3328 119.6656 59.5098 29.5366 178.5470 7 D 4.3767 8.2155 118.9171 57.2494 40.8101 178.8220 8 K 3.9757 8.1144 120.1795 59.2810 32.1493 178.7117 9 L 3.9750 8.0721 119.4456 58.2023 41.5792 179.5757 10 E 4.0459 8.1693 118.1013 59.1180 29.2624 179.1053 11 E 3.9370 8.2427 119.6156 59.1577 29.6888 178.7073 12 I 3.6782 8.1292 120.3049 64.6142 37.2395 178.3273 13 L 3.9051 8.2608 119.9352 57.9712 41.4233 179.9082 14 S 4.3611 8.4122 115.1762 61.5607 62.6954 176.8476 15 K 4.0625 8.3720 121.4079 59.3788 31.7018 179.2416 16 L 3.9420 8.1078 119.3580 58.1786 41.5557 179.2535 17 Y 4.2125 8.0894 116.5291 61.2819 37.6976 178.1012 18 H 4.2011 8.4969 119.2372 59.2994 29.9374 177.4122 19 I 3.7985 8.1630 121.9294 64.4514 36.9529 178.0551 20 E 3.9580 8.3590 119.5244 59.6666 29.3085 179.3549 21 N 4.3498 8.2761 116.1801 56.4135 38.6317 177.2388 22 E 3.9756 8.2826 120.0921 59.5775 29.5125 179.5379 23 L 4.0615 8.2394 118.7194 57.3818 41.5784 179.3745 24 A 4.0090 8.0744 121.1101 55.0375 18.2583 179.6228 25 R 3.8130 8.4677 117.7005 59.5126 30.1438 178.7111 26 I 3.6652 7.7080 119.6296 64.2945 37.1352 178.2610 27 K 3.8991 8.4229 120.7232 59.3604 32.1033 178.6269 28 K 3.9033 8.2834 120.0864 59.6675 31.9095 178.7399 29 L 4.0300 7.9153 118.0417 57.7275 41.6480 179.1331 30 L 4.3045 8.1308 118.9788 57.1589 41.4492 179.3773 31 G 3.7345 7.9570 105.1779 46.4365 0.0000 174.6098 32 E 4.5459 7.7380 117.9205 56.0565 30.0470 176.0289 33 R 4.1674 7.5045 125.6605 56.8174 30.2210 175.5074 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 R 8.11 4.27 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 8.06 3.84 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 3 K 8.22 3.94 0.00 1.91 1.79 0.00 2.04 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.56 7.81 4 Q 7.93 3.89 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 5 I 8.17 3.64 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.91 0.00 0.00 6 E 8.33 3.91 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 7 D 8.22 4.38 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.98 0.00 2.06 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 L 8.07 3.98 0.00 1.88 1.72 0.92 0.80 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 10 E 8.17 4.05 0.00 2.15 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 0.00 2.54 2.47 0.00 11 E 8.24 3.94 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 12 I 8.13 3.68 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.45 0.89 0.00 0.00 13 L 8.26 3.91 0.00 1.84 1.80 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.41 4.36 0.00 4.05 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 15 K 8.37 4.06 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.75 7.81 16 L 8.11 3.94 0.00 1.68 1.53 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.09 4.21 0.00 3.21 2.92 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 18 H 8.50 4.20 0.00 3.32 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.16 3.80 2.00 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 1.54 0.55 0.90 0.00 0.00 20 E 8.36 3.96 0.00 2.25 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 2.31 2.53 0.00 21 N 8.28 4.35 0.00 2.92 2.86 0.00 0.00 7.06 6.94 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 22 E 8.28 3.98 0.00 2.14 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 2.25 2.26 0.00 23 L 8.24 4.06 0.00 1.84 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.07 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.47 3.81 0.00 1.91 2.11 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 7.71 3.67 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.91 0.00 0.00 27 K 8.42 3.90 0.00 1.86 2.01 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 8.28 3.90 0.00 1.85 2.04 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 29 L 7.92 4.03 0.00 1.79 1.72 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.13 4.30 0.00 1.86 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.74 4.55 0.00 2.16 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 2.52 2.29 0.00 33 R 7.50 4.17 0.00 1.92 1.96 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00