NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8420 8.4549 115.4357 56.0685 38.5876 173.3556 2 S 3.9985 7.9854 121.1145 55.2098 69.4528 175.0911 3 Q 3.5958 10.6503 124.7587 59.0375 27.6367 172.3402 4 N 4.2433 7.7532 106.6959 55.2014 37.4269 174.0208 5 E 5.4208 7.2931 118.8100 56.6900 32.6190 174.9397 6 Y 4.7156 7.9379 116.7014 57.3084 41.8643 173.7823 7 F 5.0033 9.0177 124.4216 57.0910 40.2549 174.6721 8 D 4.5242 8.2436 128.4659 53.8031 41.2078 177.3617 9 S 3.9722 8.6723 122.8076 60.6308 63.3737 175.5100 10 L 4.0591 8.4745 122.5765 57.0310 41.8831 177.3032 11 L 4.2958 7.8226 115.1640 53.8948 42.7591 175.4979 12 H 3.6479 7.9776 114.9913 56.0672 26.7220 173.0977 13 A 4.8520 6.7364 118.4507 51.3533 23.5270 176.2793 14 C 5.1880 8.6838 115.9612 55.7442 35.9601 174.0418 15 I 4.5571 8.0099 124.5869 58.3091 40.6238 173.4773 16 P 4.4095 0.0000 0.0000 63.1297 31.7641 177.7975 17 C 3.9927 8.6932 122.1474 60.5976 35.4514 176.0829 18 Q 4.0089 7.9872 118.2280 59.4770 28.0872 179.4663 19 L 3.9358 7.7050 119.1380 58.2635 42.2573 179.9642 20 R 4.0306 7.9965 117.1345 59.4862 29.9704 179.2826 21 C 4.0172 8.1681 115.0675 60.8097 40.2671 176.5394 22 S 4.1206 7.2397 113.7285 59.3282 62.2647 175.5775 23 S 6.0252 6.4746 127.2682 59.1982 65.1613 177.1855 24 N 4.7248 7.4576 117.8824 58.2587 38.3658 177.8555 25 T 3.4857 7.2513 106.2649 61.7592 67.4145 170.8935 26 P 4.2222 0.0000 0.0000 62.4993 33.5945 177.4119 27 P 4.6390 0.0000 0.0000 62.1153 30.5769 176.8600 28 L 4.5596 8.3812 129.0528 55.8403 42.6213 176.2269 29 T 3.7191 8.6164 111.6079 64.6128 66.2427 173.4144 30 C 4.9575 8.1857 117.3071 58.0330 45.0157 176.5473 31 Q 3.8617 8.3178 116.5348 58.9995 28.2064 179.2496 32 R 4.0855 7.9580 118.6957 59.5268 30.2457 178.2459 33 Y 4.0462 7.9044 118.7844 60.5806 38.7593 177.4409 34 C 4.6905 10.3391 113.5017 57.6207 40.4920 173.4488 35 N 4.9961 7.7871 118.4500 52.4768 39.1481 175.0380 36 A 4.5467 7.6953 119.5574 53.8729 23.7659 179.0834 37 S 4.8009 7.3734 108.6286 58.4520 63.4011 175.1245 38 V 4.3503 7.5479 118.9421 65.5752 36.1460 174.3905 39 T 4.0255 7.2636 119.7209 64.0682 68.2653 173.6103 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 C 8.45 4.84 0.00 3.09 3.18 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 2 S 7.99 4.00 0.00 3.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 10.65 3.60 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 4 N 7.75 4.24 0.00 2.92 2.57 0.00 0.00 6.83 7.66 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 5 E 7.29 5.42 0.00 1.93 1.94 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 2.19 2.50 0.00 6 Y 7.94 4.72 0.00 3.05 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 7 F 9.02 5.00 0.00 2.97 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 8 D 8.24 4.52 0.00 2.22 2.17 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 9 S 8.67 3.97 0.00 3.89 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 10 L 8.47 4.06 0.00 1.51 1.83 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.82 4.30 0.00 1.49 1.57 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.98 3.65 0.00 3.23 3.43 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.74 4.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.68 5.19 0.00 2.86 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 4.56 0.96 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 0.81 1.07 0.93 0.00 0.00 16 P 0.00 4.41 0.00 2.17 1.96 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 17 C 8.69 3.99 0.00 2.34 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 18 Q 7.99 4.01 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.86 2.45 0.00 19 L 7.71 3.94 0.00 1.70 1.82 0.95 1.45 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 20 R 8.00 4.03 0.00 1.78 1.80 0.00 3.28 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.00 21 C 8.17 4.02 0.00 3.22 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.24 4.12 0.00 3.95 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 0.00 23 S 6.47 6.03 0.00 4.14 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 24 N 7.46 4.72 0.00 2.66 2.77 0.00 0.00 7.21 7.54 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 25 T 7.25 3.49 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 26 P 0.00 4.22 0.00 2.02 1.98 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 27 P 0.00 4.64 0.00 1.87 1.49 0.00 3.31 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.87 0.00 28 L 8.38 4.56 0.00 1.81 1.81 0.94 0.52 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 29 T 8.62 3.72 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 30 C 8.19 4.96 0.00 2.86 3.02 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 31 Q 8.32 3.86 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 32 R 7.96 4.09 0.00 1.90 2.02 0.00 3.31 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 33 Y 7.90 4.05 0.00 3.13 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 34 C 10.34 4.69 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.79 5.00 0.00 2.92 2.77 0.00 0.00 6.62 7.67 0.00 0.00 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 A 7.70 4.55 0.98 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 37 S 7.37 4.80 0.00 3.94 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 38 V 7.55 4.35 2.04 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 0.80 0.00 0.00 0.98 0.00 0.00 39 T 7.26 4.03 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 1.19 0.00 0.00