NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3189 8.2493 123.5821 52.5211 18.6662 175.4769 2 S 4.3430 7.9849 114.0248 57.7012 65.4473 169.2580 3 V 4.2507 8.5428 121.8968 61.0693 33.9322 175.6857 4 A 4.6685 8.2112 128.4756 50.4714 20.6701 177.1169 5 T 4.2954 8.2074 112.4545 61.4472 69.9966 173.7702 6 E 4.4542 8.3028 118.4551 56.5619 29.7557 176.9350 7 L 4.3643 7.1269 116.2887 55.1084 43.8165 176.2742 8 R 3.9464 7.2736 119.2922 55.0808 31.0265 179.4333 9 C 4.2410 7.9693 117.4758 58.3387 40.2526 173.0709 10 Q 4.4483 8.4818 116.5185 57.8573 35.1205 175.7114 11 C 4.0953 8.2963 114.2711 57.5184 40.2386 173.6023 12 L 4.1338 8.1449 124.1155 55.9767 41.9550 178.7511 13 Q 4.3160 7.9982 115.2212 58.8943 30.6822 176.7773 14 T 3.4880 8.0123 101.8753 62.9442 67.3792 172.1056 15 L 4.3052 9.1698 132.4761 54.9055 42.9238 177.5568 16 Q 4.4578 8.3041 120.4026 55.1418 27.1222 175.1632 17 G 3.7918 7.7499 108.7807 45.6850 0.0000 171.5760 18 I 4.1466 7.6441 118.7584 60.1823 40.0610 175.2149 19 H 4.8598 8.4462 119.5228 54.7097 31.8068 173.3794 20 P 4.8366 0.0000 0.0000 61.1615 30.2841 176.6117 21 K 4.3179 9.0490 120.0666 56.7679 31.5656 175.9716 22 N 4.5075 7.7768 114.2159 55.3166 39.3641 174.0864 23 I 3.9189 7.5870 121.1767 62.1656 36.8920 174.9231 24 Q 4.5384 8.5823 128.6645 56.7741 30.7302 174.6559 25 S 4.7393 7.6401 111.7861 58.6212 66.0371 173.7218 26 V 4.9892 8.0314 117.0844 61.3635 33.7161 172.6221 27 N 5.2512 9.8386 120.1640 51.4385 42.4470 174.1857 28 V 5.2442 8.2514 120.6304 59.2178 33.7827 174.5593 29 K 4.6860 8.6362 123.7228 54.6723 35.7177 174.9269 30 S 4.8996 8.2869 117.1711 56.0526 65.9390 171.8699 31 P 4.5577 0.0000 0.0000 62.3647 32.0757 176.1746 32 G 4.2758 8.3451 117.0650 46.5455 0.0000 175.7783 33 P 4.5524 0.0000 0.0000 61.5779 33.4695 176.8538 34 H 4.2832 8.3838 112.1148 58.9103 28.7087 177.0263 35 C 4.2376 8.5780 119.5896 58.4948 43.7187 173.4356 36 A 3.8191 7.6777 120.6927 52.8214 16.5461 175.3168 37 Q 4.6004 7.4382 119.4071 55.3852 33.0968 175.0176 38 T 4.6391 8.0685 116.6505 63.9646 69.8090 173.2722 39 E 4.6756 8.4245 119.4889 56.1713 34.1347 176.1310 40 V 5.1657 8.0266 116.0003 60.5344 33.6126 172.2027 41 I 4.7249 8.7359 123.0924 59.7878 39.5046 175.6578 42 A 4.8988 9.3106 131.2961 50.9547 20.0201 176.4153 43 T 4.5132 8.6053 120.7294 63.9962 69.6217 175.0845 44 L 4.3842 9.0972 127.0531 54.1521 42.6601 178.2036 45 K 3.8779 8.5426 122.9926 59.6826 32.1108 177.8176 46 N 4.4972 8.0210 112.6343 53.5703 37.2803 174.7923 47 G 3.7796 8.4606 107.3610 46.7538 0.0000 173.2786 48 R 4.9758 7.1475 118.4441 54.4661 33.6295 175.3118 49 K 5.1765 8.3070 116.3006 56.5857 35.3355 175.0023 50 A 4.8070 8.8791 122.5335 50.6540 23.1769 174.0175 51 C 6.1420 8.9779 118.4321 54.1575 46.9166 172.4709 52 L 5.5983 8.1083 122.5938 53.1924 44.1132 176.0313 53 N 4.6914 8.6071 117.1843 51.1140 37.6279 174.3427 54 P 4.2006 0.0000 0.0000 65.2846 31.6829 178.1229 55 A 4.0665 7.9762 121.1167 54.7378 18.7390 178.4454 56 S 4.2937 8.1618 110.5359 57.6846 64.1278 173.2830 57 P 4.2025 0.0000 0.0000 66.2006 31.8024 178.2912 58 I 3.8184 7.7674 120.1699 63.8340 37.0932 178.4640 59 V 3.5895 7.7064 118.3201 65.7846 31.4829 177.6765 60 K 3.9543 8.2102 119.2918 58.8881 31.5197 178.7557 61 K 3.8855 7.9791 120.1781 59.7793 32.2558 178.5147 62 I 3.7076 7.5208 120.0002 64.7720 36.9148 178.3305 63 I 3.7147 7.6354 119.6405 64.4595 37.0953 178.1447 64 E 3.9363 7.9243 118.9299 59.3191 29.0931 179.4605 65 K 3.9276 8.9058 119.2961 59.8043 32.3677 178.3920 66 M 4.1814 7.9329 117.8710 58.4650 31.8975 178.4515 67 L 4.1561 7.9194 118.5756 57.1545 42.0153 177.3057 68 N 4.4970 7.7369 115.4811 53.7625 39.6844 173.7253 69 S 3.8294 9.9825 110.7958 58.0839 59.0314 166.0334 70 D 4.4041 7.5002 119.7054 54.0649 44.5281 173.2689 71 K 3.7578 8.4222 116.4730 57.5914 29.8647 175.6458 72 S 4.3677 7.9258 118.4492 58.8661 62.9147 174.8030 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 A 8.25 4.32 1.29 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 0.00 0.00 0.00 2 S 7.98 4.34 0.00 4.01 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 3 V 8.54 4.25 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 0.77 0.00 0.00 0.93 0.00 0.00 4 A 8.21 4.67 1.23 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 0.00 0.00 0.00 5 T 8.21 4.30 4.21 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 1.20 0.00 0.00 6 E 8.30 4.45 0.00 1.90 1.87 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 2.20 2.23 0.00 7 L 7.13 4.36 0.00 1.55 1.59 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.27 3.95 0.00 2.05 1.98 0.00 3.39 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 9 C 7.97 4.24 0.00 3.08 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 10 Q 8.48 4.45 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 11 C 8.30 4.10 0.00 2.96 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 12 L 8.14 4.13 0.00 1.64 1.66 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.00 4.32 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.30 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 14 T 8.01 3.49 4.32 0.00 0.00 0.00 0.00 0.00 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 15 L 9.17 4.31 0.00 1.61 1.64 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.30 4.46 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 17 G 7.75 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 18 I 7.64 4.15 1.89 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 1.33 0.93 0.92 0.00 0.00 19 H 8.45 4.86 0.00 3.12 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.84 0.00 2.14 1.24 0.00 3.80 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 21 K 9.05 4.32 0.00 1.81 2.01 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.52 7.81 22 N 7.78 4.51 0.00 2.78 2.83 0.00 0.00 7.06 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 23 I 7.59 3.92 1.83 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 1.22 0.33 0.89 0.00 0.00 24 Q 8.58 4.54 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 25 S 7.64 4.74 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.99 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 0.72 0.00 0.00 0.95 0.00 0.00 27 N 9.84 5.25 0.00 2.50 2.70 0.00 0.00 6.78 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 28 V 8.25 5.24 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 0.97 0.00 0.00 0.98 0.00 0.00 29 K 8.64 4.69 0.00 1.62 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.42 7.81 30 S 8.29 4.90 0.00 3.72 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 31 P 0.00 4.56 0.00 2.07 2.20 0.00 3.49 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 32 G 8.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.03 2.14 0.00 3.69 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 2.05 1.91 0.00 34 H 8.38 4.28 0.00 3.35 3.50 0.00 5.55 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.58 4.24 0.00 3.01 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 36 A 7.68 3.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.44 4.60 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 38 T 8.07 4.64 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 1.26 0.00 0.00 39 E 8.42 4.68 0.00 1.88 1.82 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 2.31 2.28 0.00 40 V 8.03 5.17 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 0.77 0.00 0.00 0.99 0.00 0.00 41 I 8.74 4.72 1.87 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 1.28 1.27 0.91 0.00 0.00 42 A 9.31 4.90 1.25 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 0.00 0.00 0.00 43 T 8.61 4.51 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 1.24 0.00 0.00 44 L 9.10 4.38 0.00 1.48 1.58 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.54 3.88 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 46 N 8.02 4.50 0.00 2.85 2.92 0.00 0.00 6.17 7.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 48 R 7.15 4.98 0.00 1.82 1.87 0.00 3.27 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 49 K 8.31 5.18 0.00 1.69 1.72 0.00 1.41 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.51 7.81 50 A 8.88 4.81 1.21 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 0.00 0.00 51 C 8.98 6.14 0.00 3.08 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 52 L 8.11 5.60 0.00 1.61 1.63 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.61 4.69 0.00 2.85 2.91 0.00 0.00 6.55 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 54 P 0.00 4.20 0.00 2.17 2.19 0.00 3.73 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 1.99 1.97 0.00 55 A 7.98 4.07 1.30 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 0.00 0.00 56 S 8.16 4.29 0.00 3.96 3.74 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 0.00 0.00 0.00 57 P 0.00 4.20 0.00 2.26 2.15 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 58 I 7.77 3.82 1.87 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 1.53 0.39 0.94 0.00 0.00 59 V 7.71 3.59 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.02 0.00 0.00 60 K 8.21 3.95 0.00 2.12 1.80 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.65 7.81 61 K 7.98 3.89 0.00 1.89 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 I 7.52 3.71 1.93 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 1.52 0.54 0.94 0.00 0.00 63 I 7.64 3.71 2.05 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 1.64 0.53 0.91 0.00 0.00 64 E 7.92 3.94 0.00 2.10 1.99 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 2.33 2.32 0.00 65 K 8.91 3.93 0.00 1.57 1.89 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 66 M 7.93 4.18 0.00 2.03 2.40 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 67 L 7.92 4.16 0.00 1.79 1.73 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.74 4.50 0.00 2.84 2.78 0.00 0.00 7.12 7.86 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 69 S 9.98 3.83 0.00 3.99 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 70 D 7.50 4.40 0.00 2.61 2.51 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 0.00 0.00 0.00 0.00 71 K 8.42 3.76 0.00 1.92 1.85 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.44 7.81 72 S 7.93 4.37 0.00 3.90 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