NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0410 8.3544 109.7428 44.3598 0.0000 174.0577 2 I 3.9004 7.6157 115.6251 60.3528 41.1379 172.4457 3 V 3.4681 7.8241 119.4197 66.0545 32.2007 177.0298 4 E 4.1697 8.0557 117.4115 58.4936 29.5595 177.7554 5 Q 4.2110 7.7961 118.2211 58.4337 29.7818 177.1644 6 C 4.6644 8.5868 116.4784 57.3243 40.6469 174.2361 7 C 4.6887 8.3286 120.5440 59.3172 31.2841 173.6761 8 T 4.4905 7.9144 108.7317 62.7224 69.9049 176.2287 9 S 4.4790 7.7539 115.4717 57.5648 64.4871 169.9570 10 I 3.4605 7.8328 127.7247 60.2827 37.0041 174.6980 11 C 4.6734 8.5163 121.6646 56.2964 38.8578 173.6072 12 S 4.7537 8.4589 116.6307 57.3806 64.7627 175.3615 13 L 3.8940 8.4644 124.8371 58.9196 41.7865 178.6893 14 Y 4.1268 8.0421 115.9628 61.0572 37.3727 178.1383 15 Q 4.2259 8.1792 118.6812 58.9770 28.8874 178.6239 16 L 4.3811 8.1581 120.1992 57.7865 41.5397 179.1868 17 E 4.0308 7.9487 118.5823 59.5068 29.1281 178.9610 18 N 4.1267 7.6479 114.7329 56.2453 38.6570 175.5595 19 Y 4.2972 7.6573 113.6259 58.7749 38.5777 175.5604 20 C 4.1994 7.9028 120.4207 59.4942 32.2391 172.8784 21 N 4.5171 8.5691 120.9366 53.8358 38.5750 174.7997 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 8.35 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.62 3.90 1.36 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.42 0.77 0.00 0.00 3 V 7.82 3.47 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 1.03 0.00 0.00 0.88 0.00 0.00 4 E 8.06 4.17 0.00 1.99 1.97 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 2.29 2.37 0.00 5 Q 7.80 4.21 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 6 C 8.59 4.66 0.00 2.92 3.04 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 0.00 0.00 0.00 0.00 7 C 8.33 4.69 0.00 2.83 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 7.91 4.49 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 1.24 0.00 0.00 9 S 7.75 4.48 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.46 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.92 0.00 0.00 11 C 8.52 4.67 0.00 2.98 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 12 S 8.46 4.75 0.00 4.13 3.95 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 13 L 8.46 3.89 0.00 1.54 1.39 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 4.13 0.00 3.19 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 8.18 4.23 0.00 2.46 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 16 L 8.16 4.38 0.00 1.89 1.78 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.95 4.03 0.00 2.23 2.02 0.00 0.00 0.00 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 2.29 0.00 18 N 7.65 4.13 0.00 2.25 2.46 0.00 0.00 6.89 7.29 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 19 Y 7.66 4.30 0.00 3.17 3.08 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 20 C 7.90 4.20 0.00 2.99 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 8.57 4.52 0.00 2.74 2.68 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00