NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4503 8.3349 115.2902 57.7454 64.2083 173.5219 2 S 4.6211 7.9189 113.3701 56.4461 66.3356 170.0984 3 G 3.7884 10.6698 112.9510 41.7798 0.0000 174.5745 4 H 3.8550 9.0000 120.4130 54.9355 29.3410 174.5381 5 I 3.1552 8.2744 119.0075 61.5193 33.3874 174.0712 6 E 4.3730 7.1165 117.8703 56.5424 32.2139 175.9270 7 G 4.6916 8.1301 117.2169 45.5936 0.0000 170.5128 8 R 4.2126 8.3824 123.1161 56.1681 33.7380 173.0229 9 H 4.0792 9.4844 125.4989 56.4993 28.9459 173.7729 10 M 2.9117 8.4601 116.4973 57.1520 28.0293 176.9075 11 N 4.1770 8.0693 116.7253 53.5323 40.7928 172.8687 12 K 4.1066 8.8668 119.6119 58.3385 30.7459 178.1704 13 Q 4.4681 9.3081 123.7238 56.6288 29.3899 176.0839 14 A 3.9353 7.5532 123.4528 55.9437 18.4485 180.8011 15 T 3.2759 7.4895 113.0798 66.6615 68.4469 176.5897 16 E 4.1758 7.9603 120.1671 58.9161 29.5476 179.0881 17 I 3.6886 7.8798 120.2790 64.2720 37.1478 178.3546 18 L 3.8202 8.3746 120.5438 57.9847 41.2633 178.7125 19 N 5.1230 8.0913 117.2311 57.0702 38.7896 176.4605 20 E 4.1003 8.8755 120.3609 59.6608 29.3805 178.9902 21 Y 4.3923 8.1086 119.3356 60.5647 39.1810 176.9511 22 F 4.1482 9.2943 122.4830 62.3453 39.4637 175.8374 23 Y 3.7296 9.4565 115.1947 61.0284 37.3298 178.5697 24 S 3.9445 7.7436 117.5371 61.6410 63.2739 175.6437 25 H 4.9033 7.6731 116.5054 55.2734 28.8435 176.7053 26 L 3.4029 8.4984 123.4157 57.9931 40.4322 178.2807 27 S 4.0991 7.9155 113.3470 61.1608 62.9832 173.5265 28 N 4.6162 7.2962 113.4662 52.4018 41.1683 171.0841 29 P 4.0499 0.0000 0.0000 61.7295 32.0442 177.0495 30 Y 3.5392 9.2257 115.3580 57.0927 36.1669 170.5447 31 P 4.2026 0.0000 0.0000 62.9436 31.7742 177.5945 32 S 4.2789 8.6216 119.6647 58.4400 64.6563 175.0060 33 E 3.9683 8.7725 121.3284 59.7584 28.9632 179.5928 34 E 3.8078 8.0639 118.4745 59.1933 29.8588 178.3752 35 A 3.8983 7.8888 120.2612 54.9880 18.4309 179.1191 36 K 3.5408 8.2401 118.3600 59.7999 32.2020 178.6616 37 E 3.9318 8.0611 118.6324 59.6307 29.2826 178.9521 38 E 4.0049 8.6084 118.7127 59.5874 29.4172 179.2404 39 L 3.8380 8.2365 118.5666 57.8541 41.9002 179.4709 40 A 3.9828 8.2452 120.7802 55.3496 17.9859 179.5447 41 K 4.1935 8.7064 115.7378 57.8186 32.0171 179.3022 42 K 3.7534 8.0474 120.7479 58.8849 32.2501 177.4055 43 C 4.3999 7.8612 117.1784 58.9717 31.7869 173.8776 44 G 3.9733 7.3810 107.7543 46.4846 0.0000 173.7771 45 I 4.3034 7.3846 117.1168 60.1431 36.1094 178.9856 46 T 4.3924 8.7263 105.9675 59.1315 71.1084 174.1681 47 V 3.5614 8.6657 124.8671 66.6733 31.3096 178.2762 48 S 4.2191 8.1877 113.9810 61.6911 62.4523 176.5699 49 Q 4.0939 8.7443 121.2997 58.7706 28.4005 178.7375 50 V 3.9934 7.7602 118.7365 65.8257 31.7038 177.6722 51 S 4.1177 12.0000 112.1039 61.5556 62.6477 175.9692 52 N 4.5108 8.8498 119.7632 55.6462 37.4293 176.5994 53 W 4.0389 8.0369 131.1832 60.5134 30.7055 177.9846 54 F 4.2523 9.1515 117.1001 59.9505 38.1572 178.0282 55 G 3.7168 7.9087 104.9131 47.2528 0.0000 174.4191 56 N 4.4815 7.7341 117.6590 54.7669 39.5669 176.6255 57 K 3.3266 7.0811 120.5109 58.4061 31.7957 177.8899 58 R 4.2577 7.7959 117.0721 57.1693 30.1067 177.0811 59 I 3.9001 7.1311 116.5460 61.6902 39.5997 173.7676 60 R 3.8726 7.8206 119.1839 57.0811 26.5649 176.2905 61 Y 4.3846 8.2183 112.4465 57.9114 38.9122 178.4176 62 K 4.2784 7.9134 126.2570 57.0324 31.9745 179.1147 63 K 4.1777 8.4683 119.5200 56.9907 31.0794 176.3755 64 N 4.5180 7.8836 120.9397 54.1887 39.8212 173.2926 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 S 8.33 4.45 0.00 3.85 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 2 S 7.92 4.62 0.00 3.94 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 3 G 10.67 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 0.00 0.00 0.00 4 H 9.00 3.85 0.00 3.29 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.27 3.16 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.39 0.92 0.00 0.00 6 E 7.12 4.37 0.00 1.91 1.86 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 2.24 2.31 0.00 7 G 8.13 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 4.21 0.00 1.75 1.71 0.00 3.36 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 9 H 9.48 4.08 0.00 3.34 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.46 2.91 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 11 N 8.07 4.18 0.00 2.79 2.80 0.00 0.00 7.29 6.75 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 12 K 8.87 4.11 0.00 1.82 1.51 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.40 7.81 13 Q 9.31 4.47 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 14 A 7.55 3.94 1.35 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 0.00 0.00 0.00 15 T 7.49 3.28 4.30 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 1.43 0.00 0.00 16 E 7.96 4.18 0.00 2.09 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 2.40 2.57 0.00 17 I 7.88 3.69 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 0.84 0.00 0.00 18 L 8.37 3.82 0.00 0.32 0.13 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.09 5.12 0.00 3.21 2.87 0.00 0.00 7.11 6.44 0.00 0.00 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 8.88 4.10 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 21 Y 8.11 4.39 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.29 4.15 0.00 3.35 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.46 3.73 0.00 3.40 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 S 7.74 3.94 0.00 4.04 3.91 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 25 H 7.67 4.90 0.00 3.09 3.05 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.50 3.40 0.00 1.06 1.42 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.92 4.10 0.00 3.81 3.90 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 28 N 7.30 4.62 0.00 2.59 2.63 0.00 0.00 7.20 8.51 0.00 0.00 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 P 0.00 4.05 0.00 2.62 2.02 0.00 4.00 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 2.40 1.97 0.00 30 Y 9.23 3.54 0.00 2.99 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 31 P 0.00 4.20 0.00 1.67 2.08 0.00 3.82 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 1.70 2.30 0.00 32 S 8.62 4.28 0.00 3.86 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 33 E 8.77 3.97 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 34 E 8.06 3.81 0.00 2.02 1.91 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 2.35 2.35 0.00 35 A 7.89 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.54 0.00 1.50 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.52 7.81 37 E 8.06 3.93 0.00 2.25 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 2.31 2.33 0.00 38 E 8.61 4.00 0.00 2.00 1.89 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 2.29 2.51 0.00 39 L 8.24 3.84 0.00 1.59 1.66 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.25 3.98 1.35 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 0.00 0.00 0.00 41 K 8.71 4.19 0.00 1.71 1.84 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.56 7.81 42 K 8.05 3.75 0.00 1.66 1.89 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.51 7.81 43 C 7.86 4.40 0.00 2.93 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 44 G 7.38 3.97 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 0.00 0.00 0.00 45 I 7.38 4.30 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.95 0.00 0.00 46 T 8.73 4.39 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 47 V 8.67 3.56 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 1.15 0.00 0.00 0.91 0.00 0.00 48 S 8.19 4.22 0.00 3.92 3.94 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 49 Q 8.74 4.09 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 50 V 7.76 3.99 2.24 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 1.03 0.00 0.00 1.02 0.00 0.00 51 S 12.00 4.12 0.00 4.07 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 52 N 8.85 4.51 0.00 3.01 3.25 0.00 0.00 7.04 9.01 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 53 W 8.04 4.04 0.00 3.62 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.15 4.25 0.00 3.23 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 55 G 7.91 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 56 N 7.73 4.48 0.00 2.59 2.47 0.00 0.00 6.79 5.90 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 57 K 7.08 3.33 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.21 7.81 58 R 7.80 4.26 0.00 1.93 1.83 0.00 2.21 0.00 0.00 2.76 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 59 I 7.13 3.90 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.85 0.00 0.00 60 R 7.82 3.87 0.00 2.22 2.10 0.00 3.34 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 61 Y 8.22 4.38 0.00 2.99 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 62 K 7.91 4.28 0.00 1.82 1.60 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.67 7.81 63 K 8.47 4.18 0.00 1.72 1.78 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 N 7.88 4.52 0.00 2.84 2.76 0.00 0.00 7.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00