NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0075 8.2127 109.7431 45.6063 0.0000 175.0869 2 I 3.5764 8.1043 119.8131 62.0999 37.8430 173.5402 3 V 3.4515 8.3282 120.3026 66.1562 31.7637 177.3606 4 E 4.0287 8.0395 116.2307 59.0352 29.3764 178.5989 5 Q 4.1888 8.0110 119.1371 58.5784 29.3636 176.3003 6 C 4.8164 8.2709 114.5033 57.1423 40.5841 173.8596 7 C 4.2816 7.7245 118.9557 60.7392 28.8297 174.4557 8 T 3.9755 7.2968 110.0082 63.2762 68.7291 175.9276 9 S 4.4605 7.8605 117.4177 56.7360 64.9256 174.0494 10 I 4.1479 7.9752 121.5154 60.8610 37.8167 176.5161 11 C 4.9995 8.4557 121.5931 55.7935 42.5634 174.3434 12 S 4.5901 9.2089 118.7427 57.3537 65.5358 175.3421 13 L 3.9056 8.2024 120.7581 58.0781 40.8906 179.3905 14 Y 4.1090 7.5625 115.5411 60.9777 38.1485 177.6059 15 Q 4.2180 8.0566 119.1154 58.9083 28.8416 178.6721 16 L 4.2371 8.1618 120.0997 57.5733 41.6620 178.6134 17 E 4.1938 8.1200 117.8105 58.0009 29.4157 178.1712 18 N 4.3072 7.7596 115.7937 56.3765 38.7173 175.9616 19 Y 4.3216 7.9973 116.8731 58.1961 38.1800 175.4462 20 C 4.4718 7.3116 117.5806 59.5366 29.0027 173.5061 21 N 4.5428 8.5169 117.1629 53.7880 38.2487 175.5112 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 4.01 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 0.00 0.00 0.00 2 I 8.10 3.58 0.56 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.59 0.00 0.00 3 V 8.33 3.45 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.04 4.03 0.00 1.99 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 2.31 2.43 0.00 5 Q 8.01 4.19 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 6 C 8.27 4.82 0.00 2.95 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 7.72 4.28 0.00 3.13 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 3.98 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 1.21 0.00 0.00 9 S 7.86 4.46 0.00 4.02 3.93 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 0.00 0.00 0.00 10 I 7.98 4.15 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 0.56 0.92 0.00 0.00 11 C 8.46 5.00 0.00 2.98 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 9.21 4.59 0.00 4.13 4.10 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 13 L 8.20 3.91 0.00 1.09 1.38 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.56 4.11 0.00 3.04 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 15 Q 8.06 4.22 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 16 L 8.16 4.24 0.00 1.85 1.76 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.12 4.19 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 18 N 7.76 4.31 0.00 2.57 2.45 0.00 0.00 6.96 7.72 0.00 0.00 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 8.00 4.32 0.00 3.15 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 7.31 4.47 0.00 3.08 2.90 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 0.00 0.00 0.00 0.00 21 N 8.52 4.54 0.00 2.72 2.73 0.00 0.00 6.76 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