NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6551 8.1449 118.8896 56.9525 39.3733 175.2319 2 K 3.8768 8.0370 121.9053 59.8336 33.3911 178.7406 3 F 4.7086 9.0019 119.8705 56.3050 42.1401 174.0329 4 A 5.3391 8.5430 119.9614 50.8730 21.9578 175.6104 5 C 4.5492 8.7634 122.6099 58.4548 31.9171 172.3048 6 P 4.4682 0.0000 0.0000 64.7343 31.7335 176.9527 7 E 4.2940 8.2279 117.7711 57.4936 30.3811 175.2517 8 C 5.0063 7.7653 110.2411 55.6074 32.5482 170.7194 9 P 4.7836 0.0000 0.0000 63.1179 31.8704 176.1233 10 K 4.5062 7.9836 117.3753 57.1865 34.1179 176.5041 11 R 5.7538 7.8865 119.9436 53.9857 34.2244 174.6216 12 F 4.9669 9.0124 119.9232 56.2259 43.1335 175.8167 13 M 4.1270 9.1154 121.3984 57.5571 32.1011 177.0203 14 R 4.6277 7.8988 116.9739 55.0061 32.7015 176.8307 15 S 4.0282 8.4069 113.6025 60.6646 62.8430 176.0331 16 D 4.1698 7.7620 120.1090 57.7435 40.9517 177.6235 17 H 4.1529 8.1112 114.7887 58.7151 29.0333 176.9756 18 L 2.7122 7.2167 122.3036 58.2240 41.4925 179.2639 19 T 3.6525 7.4592 115.1593 66.3530 68.1178 176.2904 20 L 3.9740 7.6849 122.6789 58.0943 42.0873 178.7950 21 H 4.1980 7.8097 115.1808 58.7831 28.5150 177.4386 22 I 3.8706 6.8320 120.1971 62.3378 36.8197 178.0435 23 L 4.0166 7.6618 121.4925 57.5462 41.2076 179.1658 24 L 4.4080 7.5113 119.8262 58.4828 40.3051 178.8148 25 H 4.3283 7.6261 116.3532 58.8353 28.6792 176.9834 26 E 4.0592 8.1521 119.9070 57.3545 30.2635 175.5597 27 N 4.9444 7.7066 116.4123 50.2014 39.3514 174.5250 28 K 4.1140 8.4700 121.1851 57.1588 33.3535 176.7106 29 K 4.0103 8.3394 121.8334 57.2095 31.9412 174.6323 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 Y 8.14 4.66 0.00 3.10 3.06 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 2 K 8.04 3.88 0.00 2.05 1.87 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.45 7.81 3 F 9.00 4.71 0.00 3.22 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 4 A 8.54 5.34 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 5 C 8.76 4.55 0.00 3.32 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 6 P 0.00 4.47 0.00 2.22 2.18 0.00 3.81 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 1.96 1.98 0.00 7 E 8.23 4.29 0.00 1.68 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 8 C 7.77 5.01 0.00 3.12 3.06 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 9 P 0.00 4.78 0.00 2.21 2.19 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 1.96 1.99 0.00 10 K 7.98 4.51 0.00 2.03 1.93 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.43 7.81 11 R 7.89 5.75 0.00 1.67 1.99 0.00 3.33 0.00 0.00 3.96 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 12 F 9.01 4.97 0.00 3.09 2.97 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 13 M 9.12 4.13 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 14 R 7.90 4.63 0.00 1.92 1.80 0.00 3.03 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 15 S 8.41 4.03 0.00 3.59 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.76 4.17 0.00 2.71 2.62 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 17 H 8.11 4.15 0.00 3.15 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.22 2.71 0.00 1.81 1.48 1.25 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.46 3.65 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 20 L 7.68 3.97 0.00 1.83 1.77 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.81 4.20 0.00 3.48 3.30 0.00 5.34 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 22 I 6.83 3.87 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.89 0.00 0.00 23 L 7.66 4.02 0.00 1.81 1.69 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.51 4.41 0.00 1.77 1.79 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.63 4.33 0.00 3.36 3.63 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.15 4.06 0.00 1.96 2.08 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 2.29 2.30 0.00 27 N 7.71 4.94 0.00 3.00 2.90 0.00 0.00 6.87 6.48 0.00 0.00 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 K 8.47 4.11 0.00 1.88 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.37 7.81 29 K 8.34 4.01 0.00 1.67 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.37 7.81