NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6039 8.3044 120.6110 55.4607 33.8183 173.9862 2 V 4.2976 9.0310 123.9659 60.8746 34.6152 172.7591 3 T 5.0726 8.8430 125.5305 61.8141 72.2571 172.3551 4 A 5.0990 8.7777 126.1276 50.6775 23.5137 174.6442 5 F 5.1231 9.2518 118.1678 55.6706 42.2521 174.6106 6 I 4.8441 9.1259 124.5592 59.5966 39.7291 174.4841 7 L 4.9725 8.7252 128.2536 53.4853 43.4321 175.7400 8 M 5.5542 9.3325 120.1633 53.8005 35.3396 173.8428 9 V 4.8817 9.2348 121.3032 61.7513 33.6754 174.7562 10 T 5.1966 9.1083 117.1294 59.1496 72.2349 173.3966 11 A 4.1897 8.7122 123.7081 51.5895 19.5820 177.2740 12 A 4.0001 8.5976 124.4970 54.1766 18.6545 178.1792 13 G 3.9805 9.1575 111.7199 45.7180 0.0000 174.4166 14 K 4.4687 8.0779 118.3325 55.7727 33.2269 177.5920 15 E 3.9459 8.2209 118.7546 59.9013 29.1555 179.4757 16 R 3.9019 7.9148 118.8364 58.6522 30.3611 178.7375 17 E 3.9913 8.1035 117.0470 59.2793 29.5584 179.2360 18 V 3.5520 8.0483 119.4300 65.9275 31.6314 177.5608 19 M 3.9899 8.2145 118.0757 58.8727 31.5424 178.0001 20 E 4.0124 8.2863 118.5528 59.3836 29.3639 179.5960 21 K 4.0330 7.6813 117.4263 59.3896 32.3209 179.1775 22 L 4.2184 8.2204 119.5048 57.7863 41.3820 179.4653 23 L 3.9306 8.3832 117.9215 57.5518 41.5640 179.0343 24 A 4.1563 7.5289 118.7175 53.3368 18.9342 177.5515 25 M 4.3136 7.8855 119.2501 54.0115 32.8400 175.6325 26 P 4.2488 0.0000 0.0000 66.1573 31.6192 177.5023 27 E 3.8898 8.0331 117.6815 58.3430 30.5539 177.0120 28 V 4.0755 7.4048 120.3077 62.2753 31.3515 175.8885 29 K 4.3424 8.8058 128.3049 58.1743 33.2680 176.9891 30 E 4.8136 7.8065 116.6138 55.1387 34.3822 174.3966 31 A 5.1020 7.8836 122.0251 51.3334 22.3491 175.4088 32 Y 4.7760 9.1025 119.2629 56.1900 42.7821 174.6503 33 V 4.3656 8.5586 123.2274 62.6796 32.4442 175.3656 34 V 4.6390 8.6413 120.3833 59.7243 35.6002 174.6988 35 Y 4.3794 8.7035 119.4889 57.9103 39.0688 174.7960 36 G 3.8272 8.8853 107.7351 44.0820 0.0000 173.6833 37 E 3.7418 8.8201 119.2725 58.4845 29.7169 177.2904 38 Y 4.8069 7.1246 115.0174 56.5669 40.1866 174.8255 39 D 5.0705 9.1755 121.3195 54.9642 43.6270 176.4723 40 L 5.4022 7.8947 116.7015 52.8718 46.6140 175.2564 41 I 5.0380 8.9382 121.9890 59.2769 41.2983 174.2098 42 V 4.9160 9.0393 128.7346 60.9589 35.0398 173.7030 43 K 4.3997 8.8694 128.6806 54.6124 34.1244 175.2541 44 V 4.8097 8.5609 120.2028 59.5512 35.7649 174.4929 45 E 5.1354 8.5098 121.7423 55.0224 32.9741 175.2170 46 T 4.6078 8.9096 113.8809 59.8000 72.2451 174.8386 47 D 4.2728 8.9652 123.0882 57.1867 41.3632 177.1027 48 T 4.7481 7.7376 107.9177 58.8384 73.3950 174.5566 49 L 3.9649 8.3292 121.9527 58.0985 42.0826 178.6296 50 K 4.1269 8.0299 119.2175 59.6713 32.1338 178.3724 51 D 4.5920 8.1154 119.2979 56.9525 40.7034 178.5171 52 L 3.9923 7.7959 120.8674 58.1121 42.1480 178.4068 53 D 4.4304 8.7093 119.2588 57.9494 40.8010 179.2734 54 Q 4.1863 8.1494 119.1782 57.9850 28.6318 178.5469 55 F 4.1665 8.2233 122.2736 61.1274 39.3631 177.3589 56 I 3.5924 7.9529 119.7805 64.4865 36.5542 178.5589 57 T 3.9072 7.9168 110.5497 64.6735 68.7554 176.2996 58 E 4.2710 8.2186 119.2543 57.1383 29.9416 176.1178 59 K 4.2988 7.4627 115.3666 57.7881 35.4849 178.1464 60 I 3.4568 7.5284 118.8135 64.8102 37.1659 178.5700 61 R 4.1513 8.1124 115.4294 57.0191 29.6214 177.2931 62 K 4.2783 7.6077 116.4282 56.3048 33.1496 176.2294 63 M 4.3383 7.7625 120.8867 52.9437 31.4374 175.0505 64 P 4.2995 0.0000 0.0000 65.4792 31.5659 177.6065 65 E 4.0948 8.1498 117.5870 57.9647 29.8333 175.7023 66 I 4.5586 7.6162 120.4897 60.4557 37.5174 175.5294 67 Q 4.4638 9.1661 126.6744 57.5008 30.5114 176.1878 68 M 4.9927 7.7855 117.5277 54.3245 35.8009 173.8231 69 T 5.3380 8.5745 114.5757 60.1849 72.8431 173.1845 70 S 4.5434 8.8639 116.6278 57.4112 65.7432 172.4913 71 T 5.0291 8.6574 124.0147 62.1539 70.4911 173.9057 72 M 4.6907 9.0766 126.0861 53.5849 34.8287 174.8236 73 I 4.4710 8.4033 125.0476 60.1461 38.3643 176.0929 74 A 4.3578 9.1517 129.9620 51.9593 19.1151 177.5956 75 I 4.1439 8.0615 113.7796 61.1212 37.8819 175.1344 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 8.30 4.60 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 2 V 9.03 4.30 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 0.97 0.00 0.00 0.92 0.00 0.00 3 T 8.84 5.07 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 1.10 0.00 0.00 4 A 8.78 5.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.25 5.12 0.00 2.98 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 6 I 9.13 4.84 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.95 0.00 0.00 7 L 8.73 4.97 0.00 0.39 0.44 0.49 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 M 9.33 5.55 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 9 V 9.23 4.88 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 1.03 0.00 0.00 0.99 0.00 0.00 10 T 9.11 5.20 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 1.24 0.00 0.00 11 A 8.71 4.19 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 12 A 8.60 4.00 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 13 G 9.16 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.08 4.47 0.00 1.88 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.54 7.81 15 E 8.22 3.95 0.00 2.15 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 0.00 2.36 2.35 0.00 16 R 7.91 3.90 0.00 1.87 2.01 0.00 3.12 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 17 E 8.10 3.99 0.00 2.23 2.20 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 2.36 2.71 0.00 18 V 8.05 3.55 2.28 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 1.06 0.00 0.00 1.01 0.00 0.00 19 M 8.21 3.99 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 20 E 8.29 4.01 0.00 2.15 1.97 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 2.60 2.49 0.00 21 K 7.68 4.03 0.00 1.96 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.63 7.81 22 L 8.22 4.22 0.00 1.85 1.79 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.38 3.93 0.00 1.74 1.71 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.53 4.16 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 25 M 7.89 4.31 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.56 0.00 26 P 0.00 4.25 0.00 2.14 2.18 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 27 E 8.03 3.89 0.00 1.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 28 V 7.40 4.08 2.28 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 0.70 0.00 0.00 0.99 0.00 0.00 29 K 8.81 4.34 0.00 1.55 1.77 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.45 7.81 30 E 7.81 4.81 0.00 1.97 1.88 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 2.33 2.32 0.00 31 A 7.88 5.10 1.13 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 0.00 0.00 32 Y 9.10 4.78 0.00 2.86 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 33 V 8.56 4.37 2.07 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 0.74 0.00 0.00 0.93 0.00 0.00 34 V 8.64 4.64 2.15 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 0.80 0.00 0.00 1.04 0.00 0.00 35 Y 8.70 4.38 0.00 3.00 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 36 G 8.89 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 37 E 8.82 3.74 0.00 1.77 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 1.59 2.08 0.00 38 Y 7.12 4.81 0.00 2.99 2.87 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 39 D 9.18 5.07 0.00 2.60 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 0.00 40 L 7.89 5.40 0.00 1.59 1.54 0.99 0.87 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 41 I 8.94 5.04 1.93 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 1.38 1.66 1.14 0.00 0.00 42 V 9.04 4.92 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 0.99 0.00 0.00 43 K 8.87 4.40 0.00 1.42 1.42 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.88 0.21 7.81 44 V 8.56 4.81 1.56 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 0.38 0.00 0.00 0.77 0.00 0.00 45 E 8.51 5.14 0.00 1.68 1.70 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 0.00 2.10 2.07 0.00 46 T 8.91 4.61 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 1.06 0.00 0.00 47 D 8.97 4.27 0.00 2.88 2.76 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 48 T 7.74 4.75 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 49 L 8.33 3.96 0.00 1.78 1.71 0.93 0.46 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 50 K 8.03 4.13 0.00 1.87 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.54 7.81 51 D 8.12 4.59 0.00 2.92 2.70 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 0.00 0.00 0.00 0.00 52 L 7.80 3.99 0.00 1.79 1.88 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.71 4.43 0.00 2.94 2.74 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 54 Q 8.15 4.19 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 55 F 8.22 4.17 0.00 3.22 3.25 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 56 I 7.95 3.59 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.81 0.91 0.00 0.00 57 T 7.92 3.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 58 E 8.22 4.27 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 2.40 2.48 0.00 59 K 7.46 4.30 0.00 1.24 1.30 0.00 1.89 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.31 7.81 60 I 7.53 3.46 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.88 0.86 0.00 0.00 61 R 8.11 4.15 0.00 1.80 1.93 0.00 3.11 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 62 K 7.61 4.28 0.00 1.64 1.78 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.52 7.81 63 M 7.76 4.34 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 64 P 0.00 4.30 0.00 2.16 2.19 0.00 3.74 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 1.98 1.99 0.00 65 E 8.15 4.09 0.00 2.09 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 2.55 2.38 0.00 66 I 7.62 4.56 1.86 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 1.24 0.51 0.98 0.00 0.00 67 Q 9.17 4.46 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 68 M 7.79 4.99 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 69 T 8.57 5.34 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 1.24 0.00 0.00 70 S 8.86 4.54 0.00 3.99 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 5.03 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 1.25 0.00 0.00 72 M 9.08 4.69 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 73 I 8.40 4.47 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 0.92 0.00 0.00 74 A 9.15 4.36 1.31 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 0.00 0.00 75 I 8.06 4.14 1.88 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 1.29 0.78 0.98 0.00 0.00