NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3367 8.1593 117.3735 62.5348 70.0127 173.4198 2 P 4.3170 0.0000 0.0000 62.1260 32.5847 174.1543 3 D 4.4825 8.8770 121.6457 55.5312 41.5840 176.8739 4 C 4.8299 8.9348 119.4041 57.8357 45.0884 174.3402 5 V 4.7091 7.4203 109.9881 59.9925 36.0452 173.8427 6 T 4.9253 9.1264 118.4932 61.0340 72.1891 174.0432 7 G 3.9314 7.9802 110.7271 46.3736 0.0000 171.6584 8 K 4.8440 8.1883 118.8173 55.0705 33.3696 178.1114 9 V 3.8734 8.2186 122.1316 62.1892 30.8823 175.3178 10 E 4.3093 8.8076 130.1316 59.1926 29.9737 176.2833 11 Y 5.0731 7.2827 115.1039 56.2768 41.2474 173.2167 12 T 5.0049 8.6697 110.0033 59.9270 72.2701 173.2963 13 K 4.4882 8.3094 123.2437 54.9268 35.6520 174.4222 14 Y 4.4159 8.8269 129.3671 57.6751 39.6114 174.4513 15 N 4.9562 8.3578 123.8745 51.4823 41.0647 175.7927 16 D 4.4569 8.8103 119.7991 56.8323 41.4943 176.2079 17 D 4.8175 7.9928 117.2857 53.1929 39.7846 175.8947 18 D 4.0856 7.8101 116.0212 56.1665 39.1923 173.8951 19 T 4.5487 7.6388 110.2004 60.7687 71.5844 173.1269 20 F 5.1489 8.7162 122.7612 56.9536 42.4111 173.5394 21 T 5.3103 8.5715 123.3906 62.4005 70.9818 174.2788 22 V 4.7231 8.7853 123.2959 59.9918 35.5056 173.7302 23 K 4.7282 8.3387 124.8690 54.6239 34.3429 174.8757 24 V 4.3419 7.9637 127.0279 61.3894 34.7415 175.1328 25 G 3.6668 8.8055 115.9699 47.3776 0.0000 173.5915 26 D 4.8516 8.6901 123.7186 52.6893 40.0289 176.0302 27 K 4.8082 7.8248 118.5002 55.0712 35.8974 174.5795 28 E 4.9631 9.0418 125.4396 54.6775 31.4156 174.6910 29 L 5.5903 8.9118 126.0007 53.0671 46.7634 175.2653 30 F 5.6533 9.3928 114.8537 55.5456 41.8171 173.6140 31 T 4.3105 8.8300 114.3909 60.0099 70.2644 173.8025 32 N 4.9113 8.7088 124.5272 53.1352 37.8406 174.8089 33 R 4.3225 7.7793 119.9710 55.4796 30.7184 177.4622 34 W 4.3171 9.0003 124.1683 59.7478 29.3703 178.0202 35 N 4.2674 8.4828 116.0782 56.8216 38.0213 176.8648 36 L 4.1137 7.8740 119.3053 56.8740 41.7206 179.1531 37 Q 2.9506 7.9574 119.0610 58.9013 28.6733 179.1253 38 S 4.2371 7.7955 113.7834 60.5259 63.3422 176.3092 39 L 3.8046 7.2619 121.1306 57.8988 41.5007 179.2635 40 L 4.3481 8.6266 119.2731 57.8122 41.5166 179.4118 41 L 4.1949 8.1316 120.4610 58.1689 42.0349 179.1937 42 S 4.1359 8.2363 115.1893 61.4177 62.7285 176.4803 43 A 4.1044 8.1931 123.6788 55.0078 17.9982 179.5568 44 Q 3.9348 8.1630 117.9913 59.4763 29.0100 178.5020 45 I 3.7948 7.7840 119.7738 64.3321 37.3093 177.7669 46 T 4.3661 7.9223 107.2692 61.1024 69.0600 174.8753 47 G 3.9072 7.8210 109.5484 46.9627 0.0000 174.1360 48 M 4.3280 7.9396 118.7666 55.4089 33.6637 175.7359 49 T 4.7446 8.1342 118.3257 62.7187 70.0972 174.5984 50 V 4.8481 8.7942 120.0907 59.7843 35.4994 174.8089 51 T 4.8643 8.2889 118.5850 61.9114 71.6296 173.1301 52 I 4.5367 8.4955 127.4902 59.5109 39.5269 174.7648 53 K 4.8573 8.2889 126.7794 55.3110 33.1718 175.7525 54 T 4.6174 8.0798 118.7822 61.1927 70.2631 173.5252 55 N 4.4709 9.0762 124.0366 54.7007 39.4256 175.7150 56 A 4.5847 7.8281 124.1167 50.9947 18.3480 176.8681 57 C 4.6665 7.6779 125.4913 55.2901 38.1863 170.9938 58 H 5.0872 7.0642 116.2760 53.2035 32.1083 172.8526 59 N 4.5736 8.5695 117.2446 54.8351 38.6448 176.0778 60 G 4.0262 9.1194 110.8044 45.3492 0.0000 173.8581 61 G 3.9113 7.2253 107.2797 45.0824 0.0000 173.6490 62 G 3.8399 8.4251 108.0461 44.8976 0.0000 172.8246 63 F 5.2203 8.0167 115.4633 55.5087 40.9012 174.4567 64 S 4.4019 8.7765 110.7346 57.3324 64.7060 173.2517 65 E 4.7241 8.3109 121.9195 54.8303 31.2474 174.9972 66 V 4.7096 8.4053 123.7088 60.9631 35.2181 174.3406 67 I 4.4296 8.2404 127.0534 59.4803 39.9444 174.3822 68 F 5.0442 8.9798 125.8910 56.0264 40.4240 176.0426 69 R 4.3489 8.7121 122.6350 56.1848 30.3460 176.3762 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 T 8.16 4.34 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 2 P 0.00 4.32 0.00 2.18 2.16 0.00 3.70 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 2.06 2.06 0.00 3 D 8.88 4.48 0.00 2.53 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.93 4.83 0.00 2.89 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 5 V 7.42 4.71 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 0.66 0.00 0.00 0.82 0.00 0.00 6 T 9.13 4.93 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 1.21 0.00 0.00 7 G 7.98 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 0.00 0.00 0.00 8 K 8.19 4.84 0.00 1.65 1.76 0.00 1.81 0.00 0.00 2.30 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.27 7.81 9 V 8.22 3.87 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 0.77 0.00 0.00 0.95 0.00 0.00 10 E 8.81 4.31 0.00 1.95 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 2.46 2.31 0.00 11 Y 7.28 5.07 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 5.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 13 K 8.31 4.49 0.00 1.79 1.64 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 14 Y 8.83 4.42 0.00 3.24 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 15 N 8.36 4.96 0.00 2.76 2.64 0.00 0.00 6.27 7.65 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 16 D 8.81 4.46 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.99 4.82 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.09 0.00 3.10 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 19 T 7.64 4.55 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 20 F 8.72 5.15 0.00 2.92 2.93 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 21 T 8.57 5.31 4.31 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 1.30 0.00 0.00 22 V 8.79 4.72 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 0.64 0.00 0.00 0.94 0.00 0.00 23 K 8.34 4.73 0.00 0.80 0.74 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.03 1.14 7.81 24 V 7.96 4.34 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 0.78 0.00 0.00 0.77 0.00 0.00 25 G 8.81 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.69 4.85 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.81 0.00 1.60 1.64 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.44 7.81 28 E 9.04 4.96 0.00 2.08 1.84 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 2.23 2.25 0.00 29 L 8.91 5.59 0.00 1.65 1.83 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.39 5.65 0.00 3.04 3.07 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 0.00 0.00 0.00 31 T 8.83 4.31 2.69 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 1.10 0.00 0.00 32 N 8.71 4.91 0.00 2.96 3.04 0.00 0.00 6.18 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 33 R 7.78 4.32 0.00 1.89 1.92 0.00 3.24 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 34 W 9.00 4.32 0.00 3.34 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 35 N 8.48 4.27 0.00 2.77 2.96 0.00 0.00 7.16 6.74 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 36 L 7.87 4.11 0.00 1.88 1.87 0.99 1.20 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 37 Q 7.96 2.95 0.00 1.96 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 1.62 2.13 0.00 38 S 7.80 4.24 0.00 4.00 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 39 L 7.26 3.80 0.00 1.99 1.34 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.63 4.35 0.00 1.99 2.06 1.41 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.13 4.19 0.00 2.01 1.71 1.10 1.06 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 42 S 8.24 4.14 0.00 4.13 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 43 A 8.19 4.10 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 3.93 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 45 I 7.78 3.79 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.78 0.93 0.00 0.00 46 T 7.92 4.37 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 1.28 0.00 0.00 47 G 7.82 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 0.00 0.00 0.00 48 M 7.94 4.33 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 49 T 8.13 4.74 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 1.24 0.00 0.00 50 V 8.79 4.85 1.80 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 0.71 0.00 0.00 0.84 0.00 0.00 51 T 8.29 4.86 4.14 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 0.00 0.00 1.18 0.00 0.00 52 I 8.50 4.54 1.54 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.42 0.00 0.00 53 K 8.29 4.86 0.00 1.61 1.73 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.30 7.81 54 T 8.08 4.62 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 1.24 0.00 0.00 55 N 9.08 4.47 0.00 2.76 2.86 0.00 0.00 6.83 7.35 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 56 A 7.83 4.58 1.26 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 0.00 0.00 57 C 7.68 4.67 0.00 3.09 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 58 H 7.06 5.09 0.00 3.31 3.36 0.00 5.52 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.57 4.57 0.00 2.78 2.84 0.00 0.00 6.99 7.65 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 60 G 9.12 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 61 G 7.23 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 0.00 0.00 0.00 62 G 8.43 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 0.00 0.00 0.00 63 F 8.02 5.22 0.00 2.89 2.84 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 64 S 8.78 4.40 0.00 3.87 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 65 E 8.31 4.72 0.00 2.15 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 0.00 2.32 2.29 0.00 66 V 8.41 4.71 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 1.05 0.00 0.00 67 I 8.24 4.43 1.77 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 1.20 0.83 0.90 0.00 0.00 68 F 8.98 5.04 0.00 2.88 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 69 R 8.71 4.35 0.00 1.78 1.81 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00