NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8833 8.3393 109.7390 45.8995 0.0000 172.2879 2 C 4.5059 8.6279 121.3150 54.1083 42.4855 171.1161 3 K 4.2452 8.1685 117.4103 56.6513 35.0031 178.1543 4 G 4.0812 8.7682 107.9137 46.9301 0.0000 175.2817 5 F 4.4808 9.1095 123.0014 57.0942 42.6256 174.2047 6 G 3.6153 8.0506 114.8250 46.1472 0.0000 173.1094 7 D 4.6534 7.0689 119.8213 53.0531 42.9984 176.3034 8 S 5.3089 8.8753 116.4151 57.2561 61.3571 171.5900 9 C 5.2195 8.4464 119.6484 53.4930 39.1873 173.4026 10 T 4.4842 8.0908 116.8311 61.3109 69.3600 172.7759 11 P 4.3599 0.0000 0.0000 63.8267 31.9337 175.6306 12 G 4.0610 9.0982 110.7475 45.3911 0.0000 174.1761 13 K 4.1594 7.5335 116.3700 55.7676 33.1943 175.9137 14 N 4.1583 7.9469 115.4149 54.3621 36.0492 174.0013 15 E 4.0495 7.7425 119.9860 58.7028 30.7204 177.0453 16 C 4.7982 7.8513 117.2345 55.4259 43.1006 173.0086 17 C 4.7169 8.1633 120.5191 56.1555 40.6089 172.4252 18 P 4.9010 0.0000 0.0000 62.7963 30.3744 177.0178 19 N 4.9941 7.9495 109.7813 54.5599 41.3925 173.6705 20 Y 5.2039 7.8102 114.3904 56.7255 42.9710 174.1958 21 A 4.7673 9.6679 122.8606 50.2265 21.3599 175.3557 22 C 4.4173 8.8078 120.8055 57.4193 35.6186 173.9937 23 S 4.2237 8.4982 119.4439 57.6786 62.9809 174.6046 24 S 4.5374 8.1467 117.5315 58.3045 63.9224 175.6892 25 K 4.0777 7.6344 120.7681 59.6457 32.0394 177.3729 26 H 4.8945 8.0611 113.9954 55.0262 31.1017 173.3358 27 K 4.1172 8.2447 114.6966 56.6690 29.2647 174.1233 28 W 5.2687 7.1270 114.5906 54.7906 32.2753 176.1111 29 C 5.0616 8.9078 121.6311 55.6580 43.2866 172.4535 30 K 4.9778 8.3389 121.7159 55.6102 36.1799 175.5397 31 V 4.3783 9.1773 114.3850 61.5203 32.3585 175.7424 32 Y 4.6564 7.4770 118.7406 56.8125 38.2573 175.5455 33 L 4.1475 7.4743 127.6185 55.7416 42.2081 176.2989 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 8.34 3.88 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 0.00 0.00 0.00 2 C 8.63 4.51 0.00 3.20 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 3 K 8.17 4.25 0.00 1.82 1.77 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.49 7.81 4 G 8.77 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 0.00 0.00 0.00 5 F 9.11 4.48 0.00 2.87 2.81 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 0.00 0.00 0.00 0.00 6 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.07 4.65 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.88 5.31 0.00 3.89 3.81 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 0.00 0.00 0.00 0.00 9 C 8.45 5.22 0.00 2.97 3.01 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 0.00 0.00 0.00 0.00 10 T 8.09 4.48 4.23 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 1.19 0.00 0.00 11 P 0.00 4.36 0.00 2.11 1.96 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 12 G 9.10 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.53 4.16 0.00 1.81 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.39 7.81 14 N 7.95 4.16 0.00 2.82 2.85 0.00 0.00 6.93 7.65 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 15 E 7.74 4.05 0.00 2.00 1.93 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 2.37 2.29 0.00 16 C 7.85 4.80 0.00 3.00 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 17 C 8.16 4.72 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.90 0.00 2.17 2.13 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 19 N 7.95 4.99 0.00 2.56 2.32 0.00 0.00 6.96 7.46 0.00 0.00 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 Y 7.81 5.20 0.00 3.09 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 21 A 9.67 4.77 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.81 4.42 0.00 2.82 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 23 S 8.50 4.22 0.00 2.72 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 24 S 8.15 4.54 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 4.08 0.00 1.78 2.30 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.47 7.81 26 H 8.06 4.89 0.00 3.61 3.66 0.00 5.90 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.24 4.12 0.00 2.05 1.86 0.00 1.92 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.32 7.81 28 W 7.13 5.27 0.00 3.21 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.91 5.06 0.00 2.96 2.80 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 30 K 8.34 4.98 0.00 2.22 2.20 0.00 1.58 0.00 0.00 2.05 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.63 7.81 31 V 9.18 4.38 1.90 0.00 0.00 0.00 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 1.05 0.00 0.00 32 Y 7.48 4.66 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.47 4.15 0.00 1.36 1.50 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00