NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9670 8.2127 109.7369 45.3498 0.0000 175.6722 2 I 3.3380 8.7042 122.6082 62.3402 38.6969 170.5732 3 V 3.5080 8.3796 119.9095 66.1959 31.6581 177.3469 4 E 4.0155 8.1200 116.4768 59.1873 28.8354 178.6151 5 Q 4.1744 8.5604 120.0867 58.4953 29.1074 176.3564 6 C 5.0226 8.5629 115.6285 56.3306 41.2988 174.5302 7 C 4.3323 7.8033 116.8802 60.1970 28.7680 175.4002 8 T 4.2721 7.7224 117.0650 64.5209 69.1167 174.5985 9 S 4.7264 6.9603 113.8294 56.0230 66.3584 173.0590 10 I 4.1326 8.2337 122.4039 61.4403 37.2244 176.5828 11 C 4.8507 8.6024 123.5774 55.9172 35.7541 174.4334 12 S 4.5544 9.3244 119.9075 57.7670 64.9187 175.5324 13 L 3.9806 8.3901 121.2146 57.9451 40.9843 179.3269 14 Y 3.9614 7.7806 115.6112 61.1686 38.1941 178.2202 15 Q 4.1858 8.2747 118.9482 58.9825 28.7708 178.7321 16 L 4.3704 7.9651 119.6650 57.6980 41.4969 178.8320 17 E 4.0577 8.0271 118.6706 58.2508 29.3296 177.7148 18 N 4.4507 7.7161 114.3560 55.1454 38.8465 175.4302 19 Y 4.6018 7.9734 118.2314 57.5222 38.7369 175.4256 20 C 4.4068 7.1334 117.9053 59.2156 29.0219 173.4563 21 N 4.5370 8.6167 118.4928 53.7832 38.1050 175.1984 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 8.21 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 0.00 0.00 0.00 2 I 8.70 3.34 1.03 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.19 0.67 0.00 0.00 3 V 8.38 3.51 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 0.99 0.00 0.00 0.86 0.00 0.00 4 E 8.12 4.02 0.00 2.15 2.01 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 2.31 2.46 0.00 5 Q 8.56 4.17 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 8.56 5.02 0.00 3.00 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 7 C 7.80 4.33 0.00 3.16 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 7.72 4.27 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 S 6.96 4.73 0.00 4.14 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.23 4.13 1.89 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 0.54 0.93 0.00 0.00 11 C 8.60 4.85 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 12 S 9.32 4.55 0.00 4.20 4.12 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 0.00 0.00 0.00 13 L 8.39 3.98 0.00 1.42 1.48 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.78 3.96 0.00 3.07 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.19 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 16 L 7.97 4.37 0.00 1.77 1.81 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.03 4.06 0.00 1.93 2.09 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 2.29 2.32 0.00 18 N 7.72 4.45 0.00 2.14 2.48 0.00 0.00 6.90 8.12 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 19 Y 7.97 4.60 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 20 C 7.13 4.41 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.62 4.54 0.00 2.72 2.74 0.00 0.00 6.81 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