NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4346 8.1633 120.6114 55.3837 34.1000 173.8856 2 L 4.8855 8.4170 126.9906 51.9403 43.1248 174.3764 3 I 4.8578 9.6525 118.9953 58.9395 41.9500 174.0080 4 K 4.9975 8.7584 121.6927 54.6003 35.2485 175.7671 5 V 4.7074 8.6140 124.0367 61.2214 33.7679 174.0557 6 K 5.0558 9.1046 130.4883 54.9923 34.7524 175.0948 7 T 5.0048 8.0759 114.8667 59.4893 71.6428 174.9095 8 L 3.9490 8.6724 124.0628 58.5277 42.1103 177.9881 9 T 4.1145 7.7931 105.1225 62.1676 68.8250 174.1785 10 G 4.0845 8.0717 111.2660 45.5584 0.0000 174.7424 11 K 4.2191 7.9925 119.1462 56.4854 33.0638 176.1753 12 E 5.3444 8.7630 123.1227 54.5645 33.1502 175.2994 13 I 4.7025 8.2280 113.9214 59.3795 41.3546 173.8293 14 E 4.9187 8.7938 124.3839 55.6579 30.7731 175.6665 15 I 4.5662 8.7589 124.7572 59.4641 40.9736 173.7688 16 D 5.3518 8.7451 126.5296 52.9258 42.2982 175.1387 17 I 4.9144 8.8191 119.0024 59.6596 41.5645 173.7062 18 E 4.7647 9.4375 120.5201 53.7760 33.1223 175.8641 19 P 4.2239 0.0000 0.0000 65.9393 31.5151 178.3274 20 T 4.2670 7.7238 105.1750 62.2384 69.6085 174.6159 21 D 4.4917 7.9608 124.1370 54.2694 41.6129 176.1177 22 K 4.6984 8.3587 122.2745 55.6683 33.3610 178.1655 23 V 3.5622 8.7755 121.4274 66.3316 31.2307 178.1868 24 E 3.9486 8.0537 118.8793 59.2393 29.4204 178.8483 25 R 3.9433 8.1613 118.9357 59.1659 30.1132 178.5285 26 I 3.6939 7.5999 119.3089 64.3906 37.1486 178.3467 27 K 4.2892 7.9572 120.5793 59.0209 31.8167 179.3143 28 E 3.9903 8.1942 118.9125 59.2860 29.1809 179.6288 29 R 3.9354 8.0205 118.4025 59.1061 30.1108 179.1687 30 V 3.5786 7.8455 118.1742 65.9563 31.4618 177.7202 31 E 4.1016 8.4175 119.1891 59.2633 29.2064 178.6325 32 E 3.9537 7.9852 118.2903 58.6958 29.6251 178.5974 33 K 4.3607 7.7139 116.7848 57.5435 33.5725 177.4578 34 E 4.6292 8.5070 117.7200 54.8640 31.3349 176.9510 35 G 3.8736 8.0296 106.3089 45.6763 0.0000 173.2038 36 I 4.1287 7.4785 120.4906 59.2416 38.0616 174.1683 37 P 4.5856 0.0000 0.0000 61.7792 32.1603 175.5406 38 P 4.2629 0.0000 0.0000 65.9622 31.4327 178.7910 39 Q 4.0617 8.0595 115.5332 58.4448 28.8501 176.9358 40 Q 4.6939 8.0799 114.8480 55.3348 29.3987 174.7598 41 Q 4.8056 7.8382 118.5140 54.3365 31.3845 174.7563 42 R 4.6154 8.6835 122.7275 54.6852 33.2857 173.6499 43 L 5.1923 8.5011 126.4175 53.2470 44.1682 175.5156 44 I 5.0135 8.8655 124.2213 59.6339 40.8502 173.9333 45 Y 4.9113 8.7520 127.2196 56.3404 41.9875 175.4340 46 S 3.4190 9.2263 123.1592 59.6529 60.5293 173.2478 47 G 3.8956 8.2967 104.3352 45.6240 0.0000 173.6393 48 K 4.5789 7.8333 119.5286 53.9168 34.5601 175.1679 49 Q 4.4755 8.6092 125.1727 56.3071 29.6356 175.1970 50 M 4.0647 8.9999 127.5979 54.8366 33.0677 175.6784 51 N 4.5224 9.6573 123.8527 53.3373 39.8110 175.5013 52 D 4.4525 9.1087 126.2335 57.6960 41.1843 178.6395 53 E 4.0671 8.0812 116.7242 58.4840 29.9791 177.2146 54 K 4.3409 7.9479 118.5903 55.9877 33.3507 175.7140 55 T 4.9754 8.3350 109.8643 59.6719 71.2507 175.4799 56 A 4.0708 8.7239 123.7409 55.4110 18.2286 179.9372 57 A 3.9953 8.1453 119.1740 55.3963 18.1750 179.5447 58 D 4.2863 7.8408 116.2386 56.5768 40.7980 177.4231 59 Y 4.5469 7.4952 115.0152 56.0598 39.1723 175.3150 60 K 3.7981 7.8830 120.0009 57.3556 31.1865 175.3067 61 I 3.8471 7.4788 117.8518 60.8303 38.3946 175.7633 62 L 4.8599 8.6404 124.3009 52.1481 45.2182 175.8651 63 G 3.8326 8.3993 108.6587 47.3228 0.0000 174.1772 64 G 3.9918 9.0376 113.3842 44.9054 0.0000 174.0691 65 S 4.3082 7.8249 116.4349 59.1458 64.0737 173.5047 66 V 4.7249 8.5679 123.3847 61.3366 32.9942 174.7103 67 L 5.0571 9.1030 128.0663 53.5342 44.8002 174.9715 68 H 5.3025 9.1567 118.8702 54.0330 31.3621 172.8868 69 L 5.1595 8.8605 126.1323 53.5788 43.6417 175.9579 70 V 4.6430 8.5644 118.1098 59.4814 36.3254 174.7954 71 L 4.6953 8.5618 122.9622 54.7961 42.7441 176.9389 72 A 4.5463 8.9849 123.9668 49.7419 21.1078 175.5484 73 L 4.0801 8.5638 120.5578 55.8008 42.5718 178.1839 74 R 4.2286 8.4060 119.6178 56.4166 30.3977 176.0749 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 M 8.16 4.43 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 2 L 8.42 4.89 0.00 1.71 1.74 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.65 4.86 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.88 0.00 0.00 4 K 8.76 5.00 0.00 1.69 1.70 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.34 7.81 5 V 8.61 4.71 2.06 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 0.92 0.00 0.00 0.90 0.00 0.00 6 K 9.10 5.06 0.00 1.75 1.48 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 7 T 8.08 5.00 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 1.21 0.00 0.00 8 L 8.67 3.95 0.00 1.61 1.75 0.92 0.95 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 9 T 7.79 4.11 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 10 G 8.07 4.08 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 0.00 0.00 0.00 11 K 7.99 4.22 0.00 1.73 1.74 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.47 7.81 12 E 8.76 5.34 0.00 1.80 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 0.00 2.18 2.42 0.00 13 I 8.23 4.70 1.86 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 1.38 0.87 0.97 0.00 0.00 14 E 8.79 4.92 0.00 1.86 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 2.26 2.27 0.00 15 I 8.76 4.57 1.84 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 1.09 1.07 0.89 0.00 0.00 16 D 8.75 5.35 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.82 4.91 1.85 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 1.19 0.80 0.89 0.00 0.00 18 E 9.44 4.76 0.00 1.81 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 2.39 0.00 19 P 0.00 4.22 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 20 T 7.72 4.27 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 21 D 7.96 4.49 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.70 0.00 1.83 1.96 0.00 1.69 0.00 0.00 1.98 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 23 V 8.78 3.56 2.27 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 0.94 0.00 0.00 1.06 0.00 0.00 24 E 8.05 3.95 0.00 2.20 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 2.31 2.50 0.00 25 R 8.16 3.94 0.00 1.92 2.03 0.00 3.15 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 26 I 7.60 3.69 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.69 0.87 0.00 0.00 27 K 7.96 4.29 0.00 1.98 1.85 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.47 7.81 28 E 8.19 3.99 0.00 2.19 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 2.32 2.54 0.00 29 R 8.02 3.94 0.00 2.08 1.96 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 30 V 7.85 3.58 2.35 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 0.98 0.00 0.00 0.97 0.00 0.00 31 E 8.42 4.10 0.00 2.25 2.13 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 2.30 2.45 0.00 32 E 7.99 3.95 0.00 2.20 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 2.34 2.51 0.00 33 K 7.71 4.36 0.00 1.84 1.92 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.45 7.81 34 E 8.51 4.63 0.00 1.96 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 2.31 2.41 0.00 35 G 8.03 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 36 I 7.48 4.13 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 1.41 0.87 0.91 0.00 0.00 37 P 0.00 4.59 0.00 2.17 1.96 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.26 0.00 2.17 2.18 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 39 Q 8.06 4.06 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 40 Q 8.08 4.69 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.84 4.81 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 42 R 8.68 4.62 0.00 1.85 1.87 0.00 3.07 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.50 5.19 0.00 1.56 1.49 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 5.01 1.90 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 1.11 0.86 0.95 0.00 0.00 45 Y 8.75 4.91 0.00 2.86 2.67 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 46 S 9.23 3.42 0.00 3.70 3.66 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 0.00 0.00 0.00 0.00 47 G 8.30 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 48 K 7.83 4.58 0.00 2.07 1.82 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 Q 8.61 4.48 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 M 9.00 4.06 0.00 1.46 1.84 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.47 0.00 51 N 9.66 4.52 0.00 2.90 2.85 0.00 0.00 6.81 8.53 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 52 D 9.11 4.45 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 53 E 8.08 4.07 0.00 1.98 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 2.33 2.29 0.00 54 K 7.95 4.34 0.00 2.23 1.91 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 55 T 8.34 4.98 4.49 0.00 0.00 0.00 0.00 0.00 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 56 A 8.72 4.07 1.33 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 57 A 8.15 4.00 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 58 D 7.84 4.29 0.00 2.44 2.31 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 59 Y 7.50 4.55 0.00 2.92 3.12 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 0.00 0.00 0.00 0.00 60 K 7.88 3.80 0.00 1.90 1.93 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 61 I 7.48 3.85 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.36 0.73 0.00 0.00 62 L 8.64 4.86 0.00 1.65 1.56 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.40 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 0.00 0.00 0.00 64 G 9.04 3.99 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 0.00 0.00 0.00 65 S 7.82 4.31 0.00 3.81 3.71 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 66 V 8.57 4.72 2.13 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 0.71 0.00 0.00 0.98 0.00 0.00 67 L 9.10 5.06 0.00 1.55 1.53 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.16 5.30 0.00 3.04 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.16 0.00 1.58 1.54 0.91 0.79 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 70 V 8.56 4.64 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 0.66 0.00 0.00 0.97 0.00 0.00 71 L 8.56 4.70 0.00 1.53 1.59 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.98 4.55 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 73 L 8.56 4.08 0.00 1.65 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.41 4.23 0.00 1.77 1.80 0.00 3.40 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00