NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9003 8.3544 109.7372 45.8764 0.0000 175.9781 2 S 4.3705 8.3312 114.1742 54.9673 62.3552 171.9508 3 S 4.0904 8.5918 120.2936 60.5684 63.8011 175.0535 4 G 3.8751 8.2059 105.4497 45.7645 0.0000 173.3798 5 S 4.4855 7.6374 111.9478 57.3114 64.6100 174.7271 6 S 4.5851 8.4497 120.2114 56.7686 63.2286 174.3725 7 G 4.0949 8.0953 117.8032 45.0188 0.0000 170.4399 8 T 4.3735 8.2806 108.0622 62.4511 70.8376 174.3278 9 G 4.0233 6.9791 109.6837 45.3110 0.0000 171.8017 10 L 4.7318 8.3530 121.2904 52.6741 44.9943 176.1564 11 R 3.8169 8.4934 121.4237 55.4947 30.6624 175.2354 12 P 4.5312 0.0000 0.0000 64.0220 31.1868 177.7943 13 S 3.9034 7.0045 115.3155 61.0975 62.8893 175.5297 14 G 4.3343 6.7454 106.8021 44.4453 0.0000 171.3658 15 T 4.6010 7.4752 108.8654 59.2034 71.6546 174.1155 16 V 3.6371 8.2682 117.0786 62.0885 32.2669 176.3129 17 S 4.3344 8.2213 116.4585 57.3579 65.0151 172.9109 18 C 4.5614 8.1220 125.4624 56.7042 32.0187 172.5316 19 P 4.3751 0.0000 0.0000 65.0212 31.4504 177.9378 20 I 3.8940 8.0013 120.1236 64.3253 37.1642 176.5324 21 C 4.4591 7.9738 111.2866 57.5757 30.4303 173.2059 22 M 3.3349 7.6724 117.7274 57.0135 28.9385 175.9282 23 D 5.0723 7.5126 117.5348 53.0128 43.9031 178.2255 24 G 4.0269 8.1644 109.7117 45.9463 0.0000 172.8761 25 Y 3.9916 8.6988 118.9228 60.0973 38.9765 178.2764 26 S 3.9876 8.2607 113.9037 61.9882 63.0300 175.6964 27 E 3.9801 8.2659 122.0374 59.0192 29.2008 179.0934 28 I 3.6733 7.1098 119.0904 64.4461 37.0923 178.6663 29 V 3.9077 7.2981 110.6336 61.9106 31.5809 176.4452 30 Q 4.3831 7.7565 119.6617 55.9578 28.9877 174.2839 31 N 4.2362 8.2536 109.1663 54.7824 37.3635 174.3330 32 G 4.0173 8.1889 103.8415 46.5668 0.0000 173.2947 33 R 4.8581 7.8276 116.3988 54.2198 34.7886 174.3194 34 L 4.5759 8.3072 122.6751 53.5593 44.5258 175.5870 35 I 4.2896 8.3716 126.1311 61.6833 37.5561 175.6788 36 V 4.6571 8.6403 120.8533 59.5509 34.9932 174.8776 37 S 5.2636 8.4984 115.4787 57.0651 66.2205 172.7640 38 T 4.8602 8.3923 109.8193 59.7692 71.9371 175.1770 39 E 3.8750 9.1024 120.2490 59.6917 30.0168 177.9615 40 C 3.8095 8.1559 113.6484 60.8684 29.4491 174.2818 41 G 4.2373 7.2481 108.8517 46.0928 0.0000 172.8310 42 H 5.0515 8.3125 114.8958 53.5773 33.5211 172.9027 43 V 4.4335 7.7535 119.3683 61.4913 33.6723 174.5273 44 F 4.9536 8.6351 123.8944 56.8936 44.3947 172.8913 45 C 4.9372 8.6399 116.7556 58.6427 30.7850 175.6446 46 S 4.0293 8.8459 114.2862 61.9910 61.9035 176.3145 47 Q 3.9428 8.0360 120.0143 59.5455 28.4544 177.6651 48 C 3.6992 8.1481 115.2384 63.7978 28.4020 175.7258 49 L 3.7674 8.3661 120.9777 58.4523 40.2507 179.3141 50 R 3.8070 8.0543 118.0417 59.8482 30.1042 177.9709 51 D 4.5157 8.5150 118.0331 56.9569 41.1923 177.9886 52 S 3.9982 8.1892 114.0770 61.6256 62.1734 175.9349 53 L 3.9233 7.9388 119.4546 58.1073 41.3260 179.4954 54 K 4.1318 7.1946 116.3801 59.9710 32.0989 178.5775 55 N 4.7488 7.9461 115.4457 53.3250 39.0724 175.5772 56 A 4.5401 8.2024 134.1723 50.1402 19.4730 175.9990 57 N 4.4013 8.7831 119.0172 57.3128 38.8359 176.4523 58 T 4.0592 7.5631 105.7531 60.9799 69.7543 173.3522 59 C 4.0102 8.4679 122.7589 59.0641 31.9084 172.4356 60 P 4.4503 0.0000 0.0000 64.1768 30.4821 175.8802 61 T 4.5047 7.3077 112.5841 65.1471 71.4257 174.8676 62 C 4.2657 8.1381 118.0179 58.7787 30.9978 173.7299 63 R 4.5159 7.8125 117.1318 56.5271 26.8845 175.6213 64 K 4.4884 7.5929 116.5577 53.9187 34.8362 174.2950 65 K 3.9716 8.4351 125.4168 56.3650 31.4253 175.6144 66 I 4.6122 7.8602 116.6837 58.8780 39.9723 175.1014 67 N 4.7168 8.5939 119.5874 52.6887 42.8889 174.4247 68 H 4.8539 8.6952 119.7746 53.3358 28.3595 174.2335 69 K 4.0761 8.0311 125.3615 57.7668 32.1395 176.4932 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 3.90 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 0.00 0.00 0.00 2 S 8.33 4.37 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.09 0.00 3.87 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 4 G 8.21 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 7.64 4.49 0.00 3.99 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 6 S 8.45 4.59 0.00 3.84 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 7 G 8.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.37 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 9 G 6.98 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 10 L 8.35 4.73 0.00 1.57 1.51 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.49 3.82 0.00 1.89 1.85 0.00 3.15 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 12 P 0.00 4.53 0.00 2.16 2.15 0.00 3.79 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 1.97 1.97 0.00 13 S 7.00 3.90 0.00 3.80 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 14 G 6.75 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.60 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 1.15 0.00 0.00 16 V 8.27 3.64 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 0.78 0.00 0.00 1.14 0.00 0.00 17 S 8.22 4.33 0.00 3.88 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 18 C 8.12 4.56 0.00 2.95 2.85 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 19 P 0.00 4.38 0.00 2.27 2.15 0.00 3.73 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 2.24 1.95 0.00 20 I 8.00 3.89 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.98 0.94 0.00 0.00 21 C 7.97 4.46 0.00 3.21 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 22 M 7.67 3.33 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 23 D 7.51 5.07 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 24 G 8.16 4.03 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 0.00 0.00 0.00 25 Y 8.70 3.99 0.00 3.08 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 26 S 8.26 3.99 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 3.98 0.00 2.05 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 0.00 2.40 2.47 0.00 28 I 7.11 3.67 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.85 0.00 0.00 29 V 7.30 3.91 1.81 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 0.17 0.00 0.00 -0.08 0.00 0.00 30 Q 7.76 4.38 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 31 N 8.25 4.24 0.00 2.85 2.87 0.00 0.00 6.94 7.97 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 32 G 8.19 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 33 R 7.83 4.86 0.00 1.64 1.77 0.00 3.16 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 34 L 8.31 4.58 0.00 1.76 1.51 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.37 4.29 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 1.00 0.00 0.00 36 V 8.64 4.66 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 1.02 0.00 0.00 1.06 0.00 0.00 37 S 8.50 5.26 0.00 3.84 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 38 T 8.39 4.86 4.34 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 1.36 0.00 0.00 39 E 9.10 3.88 0.00 2.11 2.14 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 2.30 2.32 0.00 40 C 8.16 3.81 0.00 3.12 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 41 G 7.25 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 0.00 0.00 0.00 0.00 42 H 8.31 5.05 0.00 3.29 2.71 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.75 4.43 1.90 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 0.91 0.00 0.00 0.87 0.00 0.00 44 F 8.64 4.95 0.00 2.98 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 45 C 8.64 4.94 0.00 2.91 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 46 S 8.85 4.03 0.00 4.09 3.86 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 47 Q 8.04 3.94 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 48 C 8.15 3.70 0.00 3.01 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 49 L 8.37 3.77 0.00 1.89 1.68 0.27 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.05 3.81 0.00 2.08 2.13 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 51 D 8.52 4.52 0.00 2.79 2.81 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 52 S 8.19 4.00 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.94 3.92 0.00 1.75 1.73 0.84 0.93 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 54 K 7.19 4.13 0.00 1.94 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.68 7.81 55 N 7.95 4.75 0.00 2.71 2.77 0.00 0.00 7.07 6.70 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 56 A 8.20 4.54 1.19 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 0.00 0.00 0.00 57 N 8.78 4.40 0.00 2.71 2.91 0.00 0.00 7.18 7.53 0.00 0.00 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 T 7.56 4.06 4.11 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 1.21 0.00 0.00 59 C 8.47 4.01 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.23 2.08 0.00 3.36 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 61 T 7.31 4.50 4.27 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 1.08 0.00 0.00 62 C 8.14 4.27 0.00 3.13 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 63 R 7.81 4.52 0.00 1.99 2.04 0.00 3.37 0.00 0.00 3.96 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 64 K 7.59 4.49 0.00 1.70 1.68 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 65 K 8.44 3.97 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.43 7.81 66 I 7.86 4.61 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 0.96 0.00 0.00 67 N 8.59 4.72 0.00 2.71 2.71 0.00 0.00 6.88 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.70 4.85 0.00 3.22 3.31 0.00 5.72 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 69 K 8.03 4.08 0.00 1.79 1.67 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.41 7.81