NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2902 8.2649 123.5822 52.4992 19.5221 174.8477 2 Q 4.1800 8.0002 113.9398 55.8480 30.6547 175.0769 3 Q 4.5921 8.5623 117.1926 56.0299 31.9557 173.6462 4 R 3.7841 8.0145 118.8031 55.9531 29.4521 178.5026 5 K 4.4761 8.3365 121.1402 54.5443 35.3427 176.0696 6 V 3.6691 8.1396 113.5750 61.7778 30.3577 177.3208 7 I 4.0596 7.9626 121.2237 60.7013 36.6586 176.1837 8 R 4.8840 8.2061 131.9729 58.5793 29.4506 178.5969 9 C 4.4517 8.1236 112.5770 56.7451 41.9222 172.7734 10 W 3.9956 8.4010 121.6560 58.7137 27.8589 178.2152 11 A 3.3660 6.4138 120.1123 53.6524 18.1631 176.9825 12 C 4.5033 9.1397 111.6264 62.2710 30.2919 176.5968 13 G 4.3293 8.2620 106.7638 45.9966 0.0000 173.4793 14 K 4.5343 8.0178 117.7182 53.8245 35.5542 175.6335 15 E 4.3280 8.9046 124.5599 55.1812 29.8546 176.5592 16 G 4.8233 6.7471 126.9241 46.9421 0.0000 171.1845 17 H 4.8786 7.1322 114.3585 54.3102 31.8872 171.6581 18 S 4.8973 8.2683 112.9271 55.9874 64.4855 174.1768 19 A 3.4564 8.5712 127.8109 55.3881 18.0303 180.1270 20 R 4.2260 8.1461 113.4062 58.9007 30.1426 177.2337 21 Q 4.4119 8.5061 114.3252 55.0559 30.0333 173.5374 22 C 3.9569 8.3321 120.6366 57.1164 42.9878 173.4194 23 R 4.1345 8.3657 125.3181 55.9217 29.6984 175.5077 24 A 4.5423 7.2001 119.0498 49.9020 20.2619 176.8114 25 P 4.3445 0.0000 0.0000 63.5704 29.9998 177.0739 26 R 3.2565 8.4295 115.9642 57.6773 27.9911 174.9699 27 R 3.6178 8.3473 125.2010 56.4742 27.5316 174.0678 28 Q 4.4555 7.6278 130.4554 55.7986 33.0790 173.8333 29 G 3.7195 8.0256 110.4332 45.5850 0.0000 172.2338 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 A 8.26 4.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.00 4.18 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.28 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 3 Q 8.56 4.59 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.34 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 4 R 8.01 3.78 0.00 2.00 1.80 0.00 3.24 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 5 K 8.34 4.48 0.00 1.74 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.44 7.81 6 V 8.14 3.67 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 0.64 0.00 0.00 0.96 0.00 0.00 7 I 7.96 4.06 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.96 0.00 0.00 8 R 8.21 4.88 0.00 1.93 1.89 0.00 3.55 0.00 0.00 3.24 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 9 C 8.12 4.45 0.00 2.68 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 10 W 8.40 4.00 0.00 3.62 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.41 3.37 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.14 4.50 0.00 2.70 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 13 G 8.26 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.53 0.00 1.82 1.75 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.34 7.81 15 E 8.90 4.33 0.00 1.93 1.87 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 2.29 2.31 0.00 16 G 6.75 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.13 4.88 0.00 3.26 3.35 0.00 5.43 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.27 4.90 0.00 3.89 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 19 A 8.57 3.46 0.72 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.15 4.23 0.00 1.85 2.06 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 21 Q 8.51 4.41 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 22 C 8.33 3.96 0.00 2.81 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 23 R 8.37 4.13 0.00 1.74 1.82 0.00 3.22 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 24 A 7.20 4.54 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 25 P 0.00 4.34 0.00 2.17 2.09 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 26 R 8.43 3.26 0.00 1.91 1.97 0.00 3.36 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 27 R 8.35 3.62 0.00 1.90 1.93 0.00 3.33 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 28 Q 7.63 4.46 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 29 G 8.03 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00