NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2546 8.2644 123.5785 52.6232 18.7424 175.1439 2 D 4.3943 7.9205 119.9243 54.1871 44.0842 172.4246 3 I 4.6800 8.5891 120.4917 58.9010 41.7903 175.1139 4 L 4.0216 8.3303 122.6265 55.0593 42.2615 176.5806 5 S 4.4563 8.2951 114.8876 57.1892 62.7396 173.6010 6 E 3.6468 8.2476 126.7873 60.2376 29.3598 178.3990 7 E 3.5069 8.2751 118.2754 59.8054 29.8168 179.2305 8 Q 4.2205 8.5034 119.4827 58.4384 29.0919 177.7458 9 I 3.7316 8.5465 121.2344 63.8344 37.9838 178.0709 10 V 3.6389 7.7492 118.7926 65.8029 31.5939 177.1418 11 D 4.3939 8.0276 117.3922 57.6688 41.0439 178.4802 12 F 3.9675 8.6528 118.0767 60.3671 38.9597 177.4732 13 K 3.9922 8.2795 119.3751 59.5673 31.9993 178.2510 14 E 3.9576 8.8082 119.6307 59.4804 29.6137 178.8067 15 A 4.0531 7.9446 120.1575 54.7378 18.3443 179.5336 16 F 3.9270 8.7160 120.1063 61.5339 39.3573 177.8042 17 G 3.9648 8.6937 104.2871 47.6513 0.0000 175.4067 18 L 4.1782 7.7799 120.6045 57.4295 41.8176 178.5970 19 F 4.5682 8.1281 118.4092 58.0418 39.6931 174.5900 20 D 4.5133 8.0649 117.8338 52.7983 41.4337 174.8156 21 K 4.4124 8.1405 126.6201 57.1340 34.3047 178.4449 22 D 4.2926 8.0673 118.1676 54.5199 39.2379 179.0766 23 G 4.0748 8.3607 107.2487 45.8624 0.0000 174.9546 24 D 4.3459 7.9081 119.1871 54.5764 38.7973 176.4332 25 G 4.2541 7.7553 111.6629 46.7265 0.0000 174.5036 26 C 4.5248 7.7558 117.8315 58.7168 29.7934 171.8804 27 I 4.9083 8.3747 112.8412 59.9070 40.6365 175.1417 28 T 4.5617 10.0571 113.5309 60.8981 71.2943 175.3693 29 V 3.9823 8.4329 119.4496 66.2094 32.2734 178.5540 30 E 3.9565 8.3842 119.0888 59.6607 29.3015 178.3775 31 E 4.0408 7.9063 118.3048 60.1200 29.3694 179.4604 32 L 3.8975 7.4598 119.5715 58.5023 42.4357 178.2339 33 A 3.9026 8.0151 119.6741 56.1015 18.0893 179.3365 34 T 3.7307 8.1435 112.0244 66.8728 68.8880 176.8103 35 V 3.3942 7.2055 120.5582 65.2857 31.0409 177.8824 36 I 3.7360 7.6911 117.9059 63.8961 37.8561 177.8355 37 R 4.0619 8.0070 119.0495 59.1499 30.0718 178.8336 38 S 4.2544 7.8572 113.6575 60.1291 63.0496 174.5932 39 L 3.8940 7.3337 122.6834 54.5076 42.0970 178.0693 40 D 4.6554 8.4511 125.1426 54.2279 38.7677 173.3795 41 Q 4.6416 7.3608 121.2890 54.9024 33.5657 174.4188 42 N 5.0543 8.1798 115.0949 51.1497 39.3908 172.6572 43 P 4.5776 0.0000 0.0000 61.6384 33.1646 177.2194 44 T 3.9594 8.2907 111.4594 61.7430 69.5990 174.9366 45 E 3.8443 8.8775 126.1236 59.1265 29.8075 178.3119 46 E 3.9592 8.3083 118.3328 59.6905 29.4132 178.9770 47 E 3.8971 7.7646 117.7343 59.4854 29.5801 179.0749 48 L 3.9264 8.0011 118.2793 58.2599 41.6950 179.5851 49 Q 3.9963 7.9642 117.1854 59.1283 28.4691 178.8530 50 D 4.3105 7.6715 118.0703 58.0527 41.1601 178.3642 51 M 4.1242 8.7749 119.6869 58.0231 31.9079 178.4801 52 I 3.6706 8.3825 119.9847 65.0339 37.3581 178.4088 53 S 4.3491 7.9968 111.5721 60.0047 62.2630 174.5771 54 E 4.5524 8.4126 120.2387 55.9316 29.6588 175.7631 55 V 4.1776 7.3362 116.3699 64.2699 33.8050 174.4034 56 D 4.5534 8.2841 120.3532 54.6138 39.4558 175.6886 57 A 4.1556 8.4548 126.7886 54.8796 17.8033 179.0743 58 D 4.3709 8.2423 115.5400 56.0069 40.9353 178.8562 59 G 3.8162 8.4281 105.3777 45.8576 0.0000 173.6163 60 N 4.5696 7.7898 115.6245 51.9509 37.8874 175.0668 61 G 3.9575 9.2243 107.7542 46.9782 0.0000 173.6590 62 T 4.8085 7.8312 106.7603 59.6230 72.4627 173.6773 63 I 4.5245 8.2822 123.4770 60.5216 39.4001 174.6974 64 E 4.5253 8.4459 122.3883 54.3928 34.2410 174.9140 65 F 3.9211 9.2052 117.9959 60.5636 38.4067 176.9299 66 D 4.4719 8.5020 117.6701 58.3167 41.0225 178.6811 67 E 4.0016 8.4218 119.4059 58.8984 29.4412 179.2807 68 F 4.1310 8.7705 120.7802 61.1554 39.4027 177.3861 69 L 4.0319 8.4557 119.4160 57.6542 41.0088 179.5868 70 S 4.0669 8.8088 114.7780 61.3941 62.8226 176.2527 71 L 3.9102 7.6442 123.5711 58.0344 41.6343 179.0029 72 M 3.8319 7.6147 117.8471 58.0821 31.6789 178.2241 73 A 3.9842 7.8599 120.1567 55.3252 18.5358 179.6196 74 K 4.0485 7.5900 114.7719 59.2234 32.4230 179.2142 75 K 3.9900 7.9540 118.7403 59.5081 32.2890 176.6166 76 V 3.7152 8.3547 122.9898 63.1322 31.3982 175.3943 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 8.26 4.25 1.28 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 2 D 7.92 4.39 0.00 2.64 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 3 I 8.59 4.68 1.85 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 1.40 0.76 0.89 0.00 0.00 4 L 8.33 4.02 0.00 1.59 1.52 0.93 0.72 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 5 S 8.30 4.46 0.00 3.83 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 6 E 8.25 3.65 0.00 2.07 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 2.40 2.46 0.00 7 E 8.28 3.51 0.00 2.07 2.05 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 2.43 2.41 0.00 8 Q 8.50 4.22 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.65 0.00 0.00 0.00 0.00 0.00 1.95 2.52 0.00 9 I 8.55 3.73 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 1.42 1.09 0.98 0.00 0.00 10 V 7.75 3.64 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 0.92 0.00 0.00 0.96 0.00 0.00 11 D 8.03 4.39 0.00 2.95 3.08 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 12 F 8.65 3.97 0.00 3.29 3.21 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 13 K 8.28 3.99 0.00 2.03 2.02 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.51 7.81 14 E 8.81 3.96 0.00 2.22 2.11 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 2.33 2.41 0.00 15 A 7.94 4.05 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 16 F 8.72 3.93 0.00 3.19 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 17 G 8.69 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 0.00 0.00 0.00 18 L 7.78 4.18 0.00 1.89 1.78 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.13 4.57 0.00 2.93 2.90 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 20 D 8.06 4.51 0.00 1.81 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 21 K 8.14 4.41 0.00 1.73 1.75 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.29 7.81 22 D 8.07 4.29 0.00 2.87 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 23 G 8.36 4.07 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 0.00 0.00 0.00 24 D 7.91 4.35 0.00 2.86 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 25 G 7.76 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 0.00 0.00 0.00 0.00 26 C 7.76 4.52 0.00 2.94 3.09 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 27 I 8.37 4.91 1.94 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 1.48 0.83 0.76 0.00 0.00 28 T 10.06 4.56 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 1.26 0.00 0.00 29 V 8.43 3.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 30 E 8.38 3.96 0.00 2.08 2.01 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 0.00 2.41 2.42 0.00 31 E 7.91 4.04 0.00 1.98 2.11 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 2.45 2.40 0.00 32 L 7.46 3.90 0.00 1.90 1.78 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.02 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.14 3.73 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 1.12 0.00 0.00 35 V 7.21 3.39 2.09 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 0.94 0.00 0.00 0.37 0.00 0.00 36 I 7.69 3.74 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 0.94 0.00 0.00 37 R 8.01 4.06 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 38 S 7.86 4.25 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 3.89 0.00 1.79 1.65 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.45 4.66 0.00 2.62 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 41 Q 7.36 4.64 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 7.17 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 42 N 8.18 5.05 0.00 2.69 2.68 0.00 0.00 6.90 8.02 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 43 P 0.00 4.58 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.63 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 44 T 8.29 3.96 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 45 E 8.88 3.84 0.00 2.06 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 2.38 2.40 0.00 46 E 8.31 3.96 0.00 2.04 2.01 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 0.00 2.41 2.43 0.00 47 E 7.76 3.90 0.00 2.26 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 2.32 2.35 0.00 48 L 8.00 3.93 0.00 1.92 1.77 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.96 4.00 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 50 D 7.67 4.31 0.00 2.82 2.72 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 51 M 8.77 4.12 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 52 I 8.38 3.67 1.99 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 1.54 0.90 0.94 0.00 0.00 53 S 8.00 4.35 0.00 3.92 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 54 E 8.41 4.55 0.00 1.98 2.01 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 0.00 2.23 2.28 0.00 55 V 7.34 4.18 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 0.94 0.00 0.00 0.96 0.00 0.00 56 D 8.28 4.55 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 57 A 8.45 4.16 1.27 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 0.00 0.00 0.00 58 D 8.24 4.37 0.00 2.97 2.79 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 59 G 8.43 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 0.00 0.00 0.00 60 N 7.79 4.57 0.00 2.99 2.95 0.00 0.00 6.86 6.91 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 61 G 9.22 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 0.00 0.00 0.00 62 T 7.83 4.81 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 63 I 8.28 4.52 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.63 1.11 0.00 0.00 64 E 8.45 4.53 0.00 1.94 1.92 0.00 0.00 0.00 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 2.56 0.00 65 F 9.21 3.92 0.00 3.10 2.96 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 66 D 8.50 4.47 0.00 2.77 2.78 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 67 E 8.42 4.00 0.00 2.37 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 0.00 2.45 2.32 0.00 68 F 8.77 4.13 0.00 3.21 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 69 L 8.46 4.03 0.00 1.88 1.73 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.81 4.07 0.00 3.99 4.12 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 71 L 7.64 3.91 0.00 1.65 1.56 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.61 3.83 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 73 A 7.86 3.98 1.32 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 0.00 0.00 0.00 74 K 7.59 4.05 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 75 K 7.95 3.99 0.00 1.73 1.75 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 76 V 8.35 3.72 2.11 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 0.72 0.00 0.00 0.86 0.00 0.00