NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9568 8.3544 109.7354 45.8001 0.0000 173.7121 2 S 4.5278 8.5304 111.0751 57.3093 62.9232 174.5737 3 S 4.4560 7.7220 115.2711 54.9484 61.9690 170.5916 4 G 3.8841 7.5528 104.4129 44.8425 0.0000 170.5473 5 S 4.7001 8.4970 121.8551 56.1900 65.0940 174.6083 6 S 4.3577 8.4525 118.9346 58.3503 63.3147 173.4001 7 G 4.1777 8.3230 111.9796 43.7344 0.0000 171.2003 8 C 3.6339 8.7298 123.9636 60.0390 32.0423 175.0349 9 V 3.6690 7.0763 117.2821 62.5627 31.6514 177.1149 10 Q 3.7077 6.5828 120.4982 58.4285 29.1496 176.5727 11 C 4.2510 7.6547 113.3637 57.9572 31.0407 173.0768 12 K 4.3907 7.7271 117.3708 58.2448 28.1416 174.9735 13 K 4.8829 7.3310 116.4934 53.4611 36.7840 175.2944 14 P 4.6129 0.0000 0.0000 63.0513 32.3347 175.9498 15 I 4.4687 7.9036 121.9056 60.4862 38.4071 175.4434 16 T 4.2630 8.8004 117.2085 63.3193 69.7598 175.0800 17 T 4.6005 7.2395 117.5884 61.4161 72.2056 173.3453 18 G 3.9203 8.8057 112.6412 46.0997 0.0000 172.4878 19 G 4.3719 7.8297 109.8002 45.4213 0.0000 168.4099 20 V 4.7284 8.9936 112.1143 60.5288 36.4397 174.3323 21 T 5.2509 8.1268 115.7284 62.9971 73.0220 174.0058 22 Y 4.3150 9.7177 124.4713 57.9200 41.4437 174.9107 23 R 3.7641 8.6019 128.0367 57.6869 26.9214 175.8245 24 E 3.8691 8.2786 109.4997 57.2257 27.5281 174.9238 25 Q 4.7702 7.6762 114.9403 53.4927 33.6580 173.3054 26 P 4.9259 0.0000 0.0000 63.0423 33.2004 175.1836 27 W 5.0167 9.0187 120.8343 55.6431 33.9370 174.4290 28 H 4.7110 9.0050 121.4765 55.4462 28.8636 176.3456 29 K 4.2759 8.6790 122.4880 57.6906 32.1240 176.9105 30 E 4.6707 8.0918 115.1238 57.1683 31.7172 176.5391 31 C 4.4678 8.1257 115.3173 61.7159 29.0120 174.2084 32 F 4.4261 8.6714 123.5705 57.9613 38.1501 174.5012 33 V 4.1439 7.0418 114.0215 59.6583 34.1213 175.4076 34 C 4.2192 8.1905 120.8732 60.3401 31.7075 173.8875 35 T 4.3398 7.6412 116.5695 63.2434 68.8627 175.4261 36 A 4.6164 8.0346 123.3486 52.6214 21.0297 176.6404 37 C 4.6366 7.9352 106.4058 57.0023 31.1942 173.5616 38 R 4.3512 7.6679 117.7152 56.1307 27.4201 176.1992 39 K 4.3306 7.4749 116.0584 54.7313 33.7206 176.2264 40 Q 4.4473 8.5485 122.8805 56.2416 27.8006 176.3637 41 L 3.8741 8.0602 123.9248 57.1395 41.9694 176.1479 42 S 4.1626 7.9810 115.0848 62.6433 62.3691 173.4893 43 G 3.9497 9.0011 116.9383 46.0723 0.0000 173.0630 44 Q 4.4115 7.5530 116.9966 54.3099 30.1491 175.3970 45 R 4.2873 8.3112 117.0545 56.3519 30.7378 176.0739 46 F 4.9021 7.9936 113.7650 56.6565 40.0933 173.1833 47 T 4.3667 8.0754 114.6755 60.6637 70.8011 172.8594 48 A 4.4672 8.6809 130.4094 52.2106 19.2177 177.0685 49 R 4.2189 8.6254 120.1010 58.2536 30.9382 176.5086 50 D 4.8081 8.3082 112.9229 55.5197 43.4950 176.1297 51 D 4.6024 8.2408 113.5686 55.4544 43.6569 176.1985 52 F 4.5397 8.0506 116.1469 56.5320 40.9154 174.4077 53 A 4.8308 7.8364 121.5313 50.5129 21.1180 175.4241 54 Y 5.0102 8.3157 118.8912 55.7637 41.4213 175.3030 55 C 4.3524 9.1438 119.6465 58.7669 30.5320 174.8948 56 L 4.1221 8.6828 123.4231 58.6066 41.1445 178.9511 57 N 4.1552 8.4119 113.7677 57.4627 38.7473 176.4724 58 C 4.2553 8.0590 116.5714 63.0027 28.0400 175.6765 59 F 4.4545 8.8599 122.4936 61.5451 38.5978 176.1134 60 C 4.2993 8.2215 113.9990 59.5582 28.9769 173.7678 61 D 4.5322 8.2331 119.6395 56.0113 43.0087 176.8796 62 L 3.8623 7.7605 116.8665 58.0798 41.8624 178.1229 63 Y 4.1491 7.4560 114.1898 60.6016 38.3465 176.3570 64 A 4.0578 6.8069 121.8230 52.9724 18.9611 176.4822 65 S 4.4471 8.0207 111.9680 57.5860 65.1272 175.2735 66 G 4.0239 8.2104 114.1427 43.4013 0.0000 171.0016 67 P 4.4834 0.0000 0.0000 62.3509 32.0933 175.0818 68 S 4.0914 8.2129 111.7610 60.9615 63.2137 175.5425 69 S 4.4991 7.4359 117.4252 54.8916 60.9690 174.4220 70 G 3.7764 7.5033 113.3228 46.4726 0.0000 171.4861 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 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.53 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.72 4.46 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.55 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 0.00 0.00 0.00 5 S 8.50 4.70 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.45 4.36 0.00 3.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.73 3.63 0.00 2.27 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.08 3.67 1.72 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 0.45 0.00 0.00 -0.38 0.00 0.00 10 Q 6.58 3.71 0.00 1.64 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.28 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 11 C 7.65 4.25 0.00 3.11 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 12 K 7.73 4.39 0.00 1.90 1.93 0.00 1.61 0.00 0.00 2.32 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.30 7.81 13 K 7.33 4.88 0.00 1.77 1.71 0.00 1.54 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 P 0.00 4.61 0.00 2.07 2.04 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 15 I 7.90 4.47 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.97 0.00 0.00 16 T 8.80 4.26 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 17 T 7.24 4.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 18 G 8.81 3.92 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 0.00 0.00 0.00 19 G 7.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.73 2.03 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 0.79 0.00 0.00 0.76 0.00 0.00 21 T 8.13 5.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 22 Y 9.72 4.31 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 3.76 0.00 1.36 1.84 0.00 2.67 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.40 0.00 24 E 8.28 3.87 0.00 2.09 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 2.19 2.26 0.00 25 Q 7.68 4.77 0.00 2.59 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 26 P 0.00 4.93 0.00 1.96 2.10 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 27 W 9.02 5.02 0.00 2.85 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 28 H 9.00 4.71 0.00 3.29 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.68 4.28 0.00 1.97 1.88 0.00 1.57 0.00 0.00 2.40 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 30 E 8.09 4.67 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 31 C 8.13 4.47 0.00 3.24 3.28 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 32 F 8.67 4.43 0.00 3.13 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 33 V 7.04 4.14 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 0.87 0.00 0.00 0.95 0.00 0.00 34 C 8.19 4.22 0.00 2.87 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 35 T 7.64 4.34 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 36 A 8.03 4.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.94 4.64 0.00 3.04 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 38 R 7.67 4.35 0.00 1.92 1.98 0.00 3.62 0.00 0.00 3.86 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 39 K 7.47 4.33 0.00 1.77 1.68 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 40 Q 8.55 4.45 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 41 L 8.06 3.87 0.00 0.88 1.06 -0.06 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.98 4.16 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.00 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 0.00 0.00 0.00 44 Q 7.55 4.41 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.39 0.00 45 R 8.31 4.29 0.00 1.88 1.92 0.00 3.26 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 46 F 7.99 4.90 0.00 2.85 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 47 T 8.08 4.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 48 A 8.68 4.47 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.63 4.22 0.00 1.96 2.25 0.00 3.11 0.00 0.00 2.70 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 50 D 8.31 4.81 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.24 4.60 0.00 2.16 2.12 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 52 F 8.05 4.54 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.84 4.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.32 5.01 0.00 3.09 2.97 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 55 C 9.14 4.35 0.00 3.16 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 56 L 8.68 4.12 0.00 1.79 1.89 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.41 4.16 0.00 2.73 2.89 0.00 0.00 6.95 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.06 4.26 0.00 3.25 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 59 F 8.86 4.45 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.22 4.30 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.23 4.53 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.76 3.86 0.00 0.85 1.05 0.50 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.46 4.15 0.00 2.89 2.93 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 64 A 6.81 4.06 1.11 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 0.00 0.00 65 S 8.02 4.45 0.00 3.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.21 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.48 0.00 2.18 2.11 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 68 S 8.21 4.09 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.44 4.50 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00