NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4886 8.0427 122.7555 54.9879 44.1040 174.7056 2 E 4.8840 9.3304 127.7969 54.3232 31.6789 172.5088 3 C 5.3083 9.7718 125.1125 55.0484 44.7599 173.0856 4 H 4.9215 9.1890 120.2873 56.2345 28.9098 175.5152 5 N 5.3900 8.9608 114.7644 51.7974 39.3658 174.8256 6 Q 4.2064 7.9121 116.8853 56.3234 29.7497 175.3268 7 Q 4.6391 9.1329 118.4972 56.0302 31.2455 177.5405 8 S 3.3538 7.9393 118.1170 60.3207 63.1742 173.2985 9 S 4.6133 8.5598 123.9333 59.2733 62.4112 173.9492 10 Q 4.1535 7.8141 119.8375 55.6739 28.9624 176.5525 11 T 3.8379 8.3844 116.0917 63.5717 68.8919 172.6705 12 P 4.5570 0.0000 0.0000 63.1575 32.1970 175.4683 13 T 4.9638 8.7856 111.1161 60.2806 72.6626 172.4723 14 T 5.2417 8.3781 111.2542 59.8521 72.3437 172.6713 15 K 4.7132 8.9940 120.8319 55.4497 36.6031 175.0863 16 T 4.7706 8.2616 117.6627 62.1295 69.3199 175.7072 17 C 4.6222 9.1062 125.2666 56.2727 41.1492 174.0100 18 S 4.6615 9.1072 113.2576 56.7572 62.5481 173.1814 19 G 3.5026 8.2457 114.3321 46.6738 0.0000 173.9425 20 E 4.2006 7.8438 119.5063 56.5793 29.9965 176.5357 21 T 4.6398 8.4316 109.9877 61.2473 69.7014 173.0969 22 N 5.4083 7.9237 118.2894 52.2101 43.0902 173.9332 23 C 5.4944 9.0607 118.3992 55.6119 41.8902 172.4185 24 Y 5.5994 8.6822 118.1279 55.3614 41.7373 174.1308 25 K 5.3006 9.5566 121.8014 54.7169 35.8036 174.9350 26 K 5.6312 9.8225 126.9792 55.1570 35.7275 175.0822 27 W 6.3000 9.4668 119.2021 56.0014 32.1538 173.1797 28 W 5.2527 8.2470 117.0464 56.4167 30.8882 172.6416 29 S 5.2519 8.9495 115.6687 56.9799 65.5349 174.0226 30 D 5.2930 8.3342 122.3885 52.0149 41.6517 175.9080 31 H 4.3309 8.9790 112.9942 58.4643 28.5689 176.0573 32 R 4.1939 8.5041 117.9540 55.6477 31.3334 175.4591 33 G 3.7450 7.1861 103.9323 44.3697 0.0000 172.4113 34 T 4.5891 8.3048 118.2789 63.4354 69.5616 174.3628 35 I 4.2899 8.4450 127.0452 59.4554 39.8291 174.7265 36 I 5.1947 8.4463 126.4441 59.5649 40.9862 174.2187 37 E 5.1823 9.5669 125.7820 54.7564 33.1477 175.3161 38 R 4.6615 8.2163 120.6667 54.7456 34.9686 175.0867 39 G 4.0495 6.5426 106.4433 47.0218 0.0000 171.5486 40 C 5.0242 9.1110 118.0045 57.2759 41.5875 173.9614 41 G 3.7990 9.9777 109.5044 44.8719 0.0000 172.7976 42 C 4.7790 8.0537 116.9844 54.3264 44.0547 172.1168 43 P 4.5261 0.0000 0.0000 61.0064 32.1877 176.7949 44 K 4.0429 8.2692 120.5780 56.6115 32.7307 176.4553 45 V 4.4151 7.7281 117.0271 58.6519 35.3683 175.5124 46 K 3.8541 8.1854 122.7732 55.7806 32.5570 174.5717 47 P 4.2792 0.0000 0.0000 64.5153 31.6149 176.8425 48 G 3.8744 8.8171 110.2083 44.9479 0.0000 173.4916 49 V 3.9254 7.0281 119.5917 62.4100 32.4643 175.2484 50 N 4.3622 8.6315 124.8818 52.4087 39.8220 173.9772 51 L 5.1152 7.7875 123.4794 53.3628 45.6949 174.5710 52 N 5.1492 9.7921 124.6222 52.0871 41.7370 172.0329 53 C 5.6321 9.0582 123.7637 55.4496 43.5025 171.9239 54 C 5.2732 9.3996 118.2533 53.7080 45.3498 174.3930 55 T 4.7806 8.5287 104.8878 61.0727 69.6349 173.3357 56 T 4.7231 7.4737 111.3845 59.4736 71.9414 172.8292 57 D 4.6308 8.6277 122.1588 56.2428 41.1067 176.8171 58 R 3.8891 8.9524 122.3965 57.4375 27.9987 175.0107 59 C 4.5460 8.0681 112.7585 56.7065 42.1375 173.6351 60 N 4.9206 7.8007 117.6672 52.4827 37.4993 174.0764 61 N 4.2158 8.1549 122.7974 54.7561 39.0146 174.3267 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 L 8.04 4.49 0.00 1.80 1.62 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 2 E 9.33 4.88 0.00 2.05 1.74 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 2.14 2.43 0.00 3 C 9.77 5.31 0.00 2.81 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 4 H 9.19 4.92 0.00 3.14 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.96 5.39 0.00 2.76 2.78 0.00 0.00 6.96 7.41 0.00 0.00 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 Q 7.91 4.21 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.59 0.00 7 Q 9.13 4.64 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 5.68 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 8 S 7.94 3.35 0.00 3.84 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 9 S 8.56 4.61 0.00 3.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.15 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 11 T 8.38 3.84 4.23 0.00 0.00 0.00 0.00 0.00 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 12 P 0.00 4.56 0.00 2.05 1.97 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 13 T 8.79 4.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 14 T 8.38 5.24 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 0.96 0.00 0.00 15 K 8.99 4.71 0.00 1.77 1.89 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.36 7.81 16 T 8.26 4.77 4.23 0.00 0.00 0.00 0.00 0.00 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 C 9.11 4.62 0.00 2.89 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.11 4.66 0.00 3.96 3.87 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 19 G 8.25 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 4.20 0.00 1.99 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 2.44 2.39 0.00 21 T 8.43 4.64 4.26 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 1.22 0.00 0.00 22 N 7.92 5.41 0.00 2.74 2.84 0.00 0.00 6.91 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 23 C 9.06 5.49 0.00 2.87 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 24 Y 8.68 5.60 0.00 3.09 3.24 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 0.00 25 K 9.56 5.30 0.00 1.96 1.87 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.15 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.34 7.81 26 K 9.82 5.63 0.00 1.97 2.07 0.00 1.44 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.85 1.75 7.81 27 W 9.47 6.30 0.00 3.46 3.21 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 28 W 8.25 5.25 0.00 3.40 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 29 S 8.95 5.25 0.00 3.81 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 30 D 8.33 5.29 0.00 2.88 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 31 H 8.98 4.33 0.00 3.30 3.50 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.50 4.19 0.00 1.79 1.91 0.00 3.08 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.01 0.00 33 G 7.19 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 0.00 0.00 0.00 34 T 8.30 4.59 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 1.25 0.00 0.00 35 I 8.44 4.29 0.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.29 0.40 0.00 0.00 36 I 8.45 5.19 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.97 0.00 0.00 37 E 9.57 5.18 0.00 2.20 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 0.00 2.37 2.44 0.00 38 R 8.22 4.66 0.00 1.70 1.75 0.00 3.30 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 39 G 6.54 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.11 5.02 0.00 3.04 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 41 G 9.98 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 0.00 0.00 0.00 42 C 8.05 4.78 0.00 2.94 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 43 P 0.00 4.53 0.00 1.99 1.74 0.00 3.58 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.00 44 K 8.27 4.04 0.00 1.66 1.68 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.46 7.81 45 V 7.73 4.42 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 0.73 0.00 0.00 0.83 0.00 0.00 46 K 8.19 3.85 0.00 1.63 1.43 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.39 7.81 47 P 0.00 4.28 0.00 2.01 1.93 0.00 3.64 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 1.97 2.04 0.00 48 G 8.82 3.87 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 0.00 0.00 0.00 49 V 7.03 3.93 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 0.75 0.00 0.00 0.56 0.00 0.00 50 N 8.63 4.36 0.00 1.44 1.42 0.00 0.00 6.27 7.48 0.00 0.00 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 L 7.79 5.12 0.00 1.49 1.39 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.79 5.15 0.00 3.18 2.95 0.00 0.00 6.81 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 53 C 9.06 5.63 0.00 2.93 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.40 5.27 0.00 2.96 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 4.78 4.26 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 1.24 0.00 0.00 56 T 7.47 4.72 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 57 D 8.63 4.63 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.95 3.89 0.00 1.91 2.05 0.00 3.13 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 59 C 8.07 4.55 0.00 3.08 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 60 N 7.80 4.92 0.00 2.90 2.92 0.00 0.00 6.03 8.04 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 61 N 8.15 4.22 0.00 2.43 2.59 0.00 0.00 7.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00