NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.3260 8.1444 121.6995 57.5986 40.3173 174.2988 2 S 3.3169 7.8663 114.1482 57.2913 59.9756 168.4626 3 R 4.5808 8.1658 120.2950 54.2834 33.3633 175.3851 4 C 4.9641 8.0398 114.5994 54.5672 43.4889 174.2140 5 Q 3.8901 8.1739 118.7523 55.9837 28.7861 174.9284 6 L 4.4617 7.1009 118.2861 53.2866 44.3861 175.4517 7 Q 4.3136 8.3547 120.0513 56.5193 29.8221 174.8514 8 G 3.9845 8.4017 109.6201 47.0810 0.0000 173.3305 9 F 4.8909 8.0754 120.4179 55.5910 42.6299 174.5269 10 N 5.2315 8.8200 117.0005 52.6003 39.7606 173.9225 11 C 4.7668 8.1465 117.8793 55.2393 46.0810 172.9785 12 V 4.0152 7.9656 120.4828 60.9546 33.2815 175.7059 13 V 3.9500 8.3661 120.6268 61.4688 31.5279 176.6113 14 R 4.0757 7.0834 118.1697 55.5138 30.9690 175.7531 15 S 4.0676 7.5761 112.1446 59.3279 60.6986 171.9842 16 Y 4.4063 7.4748 123.5047 58.7592 38.3926 176.5901 17 G 3.8317 8.9689 111.1565 44.8957 0.0000 173.5627 18 L 3.6294 7.3841 117.5529 55.1353 39.5703 173.0136 19 P 4.4071 0.0000 0.0000 65.6909 32.4578 178.0911 20 T 4.1325 7.1195 114.2549 62.4177 69.0211 174.5052 21 I 3.7975 8.1266 126.5262 60.6425 37.5092 174.4280 22 P 4.4513 0.0000 0.0000 61.9335 32.2052 176.7047 23 C 4.0683 8.5688 117.6828 57.2670 35.4183 174.2633 24 C 4.5422 8.3370 120.8751 55.5828 44.1108 172.6271 25 R 4.1583 8.2537 122.4595 58.1641 29.8339 176.0732 26 G 4.1363 9.1280 111.9210 44.7693 0.0000 173.2541 27 L 5.6232 7.6929 118.5636 52.5731 43.8924 176.2658 28 T 4.5913 8.2951 112.1583 60.1327 72.3554 173.7184 29 C 5.3001 8.5213 118.9524 55.2700 41.0902 173.6860 30 R 4.7168 8.2340 120.2755 54.2103 32.6756 174.9352 31 S 4.8421 8.2485 114.2166 57.1945 63.9892 174.6736 32 Y 4.0700 8.2936 121.4005 59.4288 37.8082 176.5438 33 F 4.8256 6.9184 118.7587 56.5248 43.0867 171.3921 34 P 4.3267 0.0000 0.0000 63.7617 31.3562 175.9448 35 G 4.1419 8.8564 111.8304 45.1687 0.0000 172.8166 36 S 5.0749 7.8492 114.4387 57.0963 65.6347 174.4628 37 T 4.7410 8.4572 117.3318 63.8047 69.6086 172.2448 38 Y 4.6574 7.7930 122.2647 57.0521 43.4398 172.7505 39 G 3.7249 7.5530 104.3126 45.9747 0.0000 171.7505 40 R 5.2749 7.5944 119.8021 54.6417 34.8793 174.3217 41 C 5.3798 8.8913 119.9058 53.9222 47.3857 172.7603 42 Q 5.1571 8.4472 123.2650 53.3408 33.4713 174.6399 43 R 4.5411 8.3879 118.2878 57.6161 30.2981 175.3513 44 Y 3.7917 7.9719 122.8647 58.0527 39.8035 169.5175 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 Y 8.14 4.33 0.00 2.88 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 2 S 7.87 3.32 0.00 4.11 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 3 R 8.17 4.58 0.00 1.85 1.84 0.00 3.08 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 4 C 8.04 4.96 0.00 2.87 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 5 Q 8.17 3.89 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 6 L 7.10 4.46 0.00 0.27 1.21 0.60 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.35 4.31 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 8 G 8.40 3.98 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 0.00 0.00 0.00 9 F 8.08 4.89 0.00 3.15 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 10 N 8.82 5.23 0.00 2.79 2.99 0.00 0.00 5.95 7.87 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 11 C 8.15 4.77 0.00 2.96 2.75 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 12 V 7.97 4.02 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 0.87 0.00 0.00 0.75 0.00 0.00 13 V 8.37 3.95 2.06 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 0.74 0.00 0.00 0.93 0.00 0.00 14 R 7.08 4.08 0.00 1.75 1.62 0.00 3.28 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.45 0.00 15 S 7.58 4.07 0.00 3.78 3.70 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 0.00 0.00 0.00 0.00 16 Y 7.47 4.41 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.38 3.63 0.00 1.74 1.66 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.17 2.18 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 20 T 7.12 4.13 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 21 I 8.13 3.80 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.42 0.90 0.00 0.00 22 P 0.00 4.45 0.00 2.15 2.01 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 23 C 8.57 4.07 0.00 2.94 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 24 C 8.34 4.54 0.00 2.92 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 25 R 8.25 4.16 0.00 1.81 1.84 0.00 3.25 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 26 G 9.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.69 5.62 0.00 1.65 1.65 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.30 4.59 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 0.94 0.00 0.00 29 C 8.52 5.30 0.00 2.74 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.23 4.72 0.00 1.71 1.88 0.00 2.67 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 31 S 8.25 4.84 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.07 0.00 3.16 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 33 F 6.92 4.83 0.00 3.17 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 34 P 0.00 4.33 0.00 2.09 1.95 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 35 G 8.86 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.85 5.07 0.00 4.10 3.98 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 37 T 8.46 4.74 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 38 Y 7.79 4.66 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.55 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 40 R 7.59 5.27 0.00 1.61 1.61 0.00 3.15 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 41 C 8.89 5.38 0.00 2.97 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 42 Q 8.45 5.16 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 43 R 8.39 4.54 0.00 1.80 1.94 0.00 3.41 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 44 Y 7.97 3.79 0.00 3.37 2.78 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