NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2695 8.2393 120.8598 55.6322 30.0965 174.8700 2 P 4.3394 0.0000 0.0000 61.1770 32.3383 173.5718 3 E 4.2710 9.1154 120.4505 57.4343 31.0709 176.4753 4 C 4.9781 7.6847 116.0536 54.9783 46.3101 171.3510 5 V 4.1469 7.2109 120.3291 62.9388 33.8194 175.1384 6 L 4.4781 7.5265 120.1824 53.5347 44.0715 177.2587 7 N 4.2105 8.7688 122.2429 56.9573 38.9497 177.1644 8 S 4.2030 7.9868 110.3438 60.4460 62.7412 174.1631 9 D 4.4008 7.6894 119.4460 57.2978 40.8717 175.7759 10 C 4.6626 7.6528 115.0412 54.8081 40.5178 170.5704 11 P 4.5267 0.0000 0.0000 62.2316 32.5517 175.1821 12 S 3.7580 9.2945 109.0254 59.2273 60.5643 170.8685 13 N 4.1496 8.4925 111.5761 53.7231 37.2206 173.7105 14 Q 4.3407 8.2396 115.1549 55.8348 29.5401 175.5542 15 A 4.8048 9.1125 120.2572 50.6329 22.9788 174.6915 16 C 4.9560 8.6869 119.4518 55.1688 39.1669 173.2359 17 V 4.3031 8.8794 126.8762 62.0918 34.1536 174.4683 18 N 4.2487 9.2609 125.4570 56.3972 36.8180 172.9359 19 Q 3.4058 7.8284 110.7341 56.0112 28.6606 173.9590 20 K 4.7678 7.7088 115.8554 55.9923 35.5382 174.0994 21 C 4.6765 8.6160 122.5542 58.2347 37.7586 173.0869 22 R 4.2219 8.5590 118.5785 56.6338 34.9454 171.7663 23 D 4.9696 8.7451 118.5135 52.3111 42.4225 175.4558 24 P 4.4251 0.0000 0.0000 63.1197 31.3391 176.0852 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 R 8.24 4.27 0.00 1.79 1.95 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 2 P 0.00 4.34 0.00 2.47 2.03 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 3 E 9.12 4.27 0.00 1.90 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 2.27 2.38 0.00 4 C 7.68 4.98 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 4.15 2.24 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 0.78 0.00 0.00 0.93 0.00 0.00 6 L 7.53 4.48 0.00 1.76 1.50 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.77 4.21 0.00 2.76 2.80 0.00 0.00 6.62 7.19 0.00 0.00 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 S 7.99 4.20 0.00 3.87 3.88 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 9 D 7.69 4.40 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.65 4.66 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.53 0.00 2.21 2.20 0.00 4.04 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 2.03 1.94 0.00 12 S 9.29 3.76 0.00 3.95 3.90 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 13 N 8.49 4.15 0.00 2.82 2.82 0.00 0.00 7.20 7.08 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 14 Q 8.24 4.34 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.47 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 15 A 9.11 4.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.69 4.96 0.00 2.99 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 17 V 8.88 4.30 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 0.86 0.00 0.00 0.93 0.00 0.00 18 N 9.26 4.25 0.00 2.85 2.78 0.00 0.00 7.41 7.08 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 19 Q 7.83 3.41 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 20 K 7.71 4.77 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 21 C 8.62 4.68 0.00 2.89 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 22 R 8.56 4.22 0.00 1.78 1.75 0.00 3.08 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 23 D 8.75 4.97 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.43 0.00 2.08 1.97 0.00 3.76 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 2.03 2.09 0.00