NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0776 8.1600 109.1396 45.3196 0.0000 173.8566 2 I 3.4136 8.2199 117.5942 63.0093 37.6216 173.0164 3 V 3.5113 8.4375 120.1022 66.0562 31.9612 177.2270 4 E 3.9929 8.1425 117.8212 59.5954 29.0982 179.2622 5 Q 4.1843 8.0406 117.1185 58.1451 29.0467 176.8471 6 C 5.0222 8.3748 115.8039 56.2246 41.2554 174.5765 7 C 4.3917 8.0019 117.7791 59.6367 28.3898 174.0055 8 T 4.3511 7.6565 110.1302 62.8081 69.5003 174.9908 9 S 4.7953 7.5091 117.6282 55.5058 66.0961 173.3902 10 I 4.1157 8.2460 124.2661 61.5712 37.2034 176.3785 11 C 4.8391 8.6058 123.7347 55.7719 38.3057 174.5417 12 S 4.5719 9.1173 120.1670 57.8229 64.8716 175.4908 13 L 4.0876 8.4714 121.5746 57.6897 41.0074 179.4856 14 Y 3.8735 8.0533 116.0851 61.0218 38.2328 177.6684 15 Q 4.2476 8.1144 118.6506 59.0979 28.8785 178.8038 16 L 4.2342 8.0605 119.9838 57.8286 41.6039 179.0280 17 E 4.1804 8.1171 119.1748 59.3229 29.2067 178.4167 18 N 4.4810 8.1730 115.1369 55.2137 38.5781 175.6187 19 Y 4.4587 8.1867 117.0498 57.0534 38.5257 175.3581 20 C 4.5114 7.3985 118.4398 58.8147 29.2270 173.5338 21 N 4.5157 8.5895 117.2895 53.8957 38.0708 175.3441 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 8.16 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 2 I 8.22 3.41 1.43 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.77 0.00 0.00 3 V 8.44 3.51 2.07 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 1.00 0.00 0.00 0.90 0.00 0.00 4 E 8.14 3.99 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 5 Q 8.04 4.18 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 6 C 8.37 5.02 0.00 2.89 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 7 C 8.00 4.39 0.00 3.10 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 8 T 7.66 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 9 S 7.51 4.80 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.12 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 0.47 0.92 0.00 0.00 11 C 8.61 4.84 0.00 2.96 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 12 S 9.12 4.57 0.00 4.22 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 8.47 4.09 0.00 1.58 1.62 0.87 0.78 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 14 Y 8.05 3.87 0.00 2.96 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 15 Q 8.11 4.25 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 16 L 8.06 4.23 0.00 1.87 1.75 0.91 0.76 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 17 E 8.12 4.18 0.00 2.10 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 2.31 2.35 0.00 18 N 8.17 4.48 0.00 2.54 2.65 0.00 0.00 6.95 7.61 0.00 0.00 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 8.19 4.46 0.00 2.95 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 20 C 7.40 4.51 0.00 3.00 2.88 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 21 N 8.59 4.52 0.00 2.72 2.74 0.00 0.00 6.77 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