NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3596 0.0000 0.0000 62.2852 32.6449 175.8267 9 V 4.1010 7.4487 117.4732 59.5636 33.4442 172.9960 10 T 4.6926 9.1301 117.8722 60.0809 71.7265 173.3950 11 C 5.0431 8.6134 119.8253 55.4427 44.2202 173.6137 12 C 5.0075 8.3178 117.6235 55.7175 41.4441 173.7172 13 Y 4.0715 8.6102 121.1401 58.0928 39.6415 175.6724 14 N 4.8008 7.6629 114.8184 51.3194 42.6990 173.4360 15 F 5.2381 8.2351 119.4747 55.9151 41.3364 175.5162 16 T 4.2701 8.7748 119.1326 62.2269 67.6585 174.2704 17 N 4.9046 8.8561 124.5150 53.2367 39.1658 174.6519 18 R 4.2888 7.4126 118.8293 53.6661 31.4474 176.3041 19 K 2.0000 7.7719 124.0151 55.7154 32.6352 175.5163 20 I 4.2075 6.7454 123.4693 58.7911 39.5343 175.6577 21 S 3.9728 8.5905 119.1902 58.8029 62.3540 175.5180 22 V 3.5670 8.4411 120.5299 64.2908 31.4331 177.5159 23 Q 4.3702 7.9509 116.3006 56.8118 29.0209 176.3045 24 R 4.5310 8.2892 116.9079 55.6049 31.1957 174.8096 25 L 4.8615 7.5189 117.7756 53.3736 42.9596 176.0582 26 A 4.5183 9.1722 126.7765 54.4274 19.8947 176.6416 27 S 4.8512 7.4729 107.6453 59.6300 65.8658 172.7299 28 Y 5.6583 8.3858 114.8016 57.9137 39.9211 173.2236 29 R 4.3213 8.0097 115.7884 55.0153 33.4218 173.5829 30 R 5.0611 8.1688 117.9841 54.2847 32.7054 176.2703 31 I 4.0600 8.1873 123.6345 61.7676 37.0696 176.3080 32 T 4.4931 8.4636 114.3275 61.0419 70.6569 174.2692 33 S 4.2062 7.9391 118.4109 57.9110 62.8044 174.7643 34 S 4.3006 8.6193 122.1095 60.4919 62.9570 175.4241 35 K 4.1403 7.6228 120.2793 58.6230 32.1363 176.7296 36 C 4.5430 7.8698 116.7192 55.6178 40.9099 172.0116 37 P 4.2570 0.0000 0.0000 63.9959 31.7590 176.4469 38 K 4.6531 7.3584 116.3515 53.7781 35.2788 175.3608 39 E 4.0745 8.7296 122.8074 56.4837 30.4999 175.7501 40 A 4.7869 8.1512 124.3705 51.1523 23.0049 174.8183 41 V 4.3474 8.4868 121.0011 61.3724 33.7789 174.7922 42 I 4.8699 8.5233 129.1960 59.6505 39.0272 174.9311 43 F 5.0648 9.0177 126.9361 56.8758 40.7332 174.8505 44 K 5.1399 9.2059 123.6647 54.9669 35.0030 176.0123 45 T 4.9827 8.9703 118.6426 60.3251 70.7931 175.7224 46 I 3.9630 8.4392 114.9252 63.0734 37.5003 176.9697 47 V 4.0581 7.7590 119.1763 62.0573 31.3049 174.8981 48 A 3.8292 8.2494 118.9818 52.9825 16.6234 177.8585 49 K 4.6483 7.9115 117.9081 56.7462 34.3034 175.6705 50 E 5.3296 8.7066 122.5160 55.1818 31.7069 175.5572 51 I 4.8296 8.8175 123.1415 59.8972 42.0217 173.7042 52 C 5.2366 9.0511 123.5630 56.5477 42.8589 172.4732 53 A 5.3534 9.4476 124.9212 49.9667 22.9601 174.7028 54 D 3.4780 8.3026 119.8207 52.5186 41.4686 175.6812 55 P 4.1124 0.0000 0.0000 65.2015 31.6049 178.0278 56 K 4.0191 8.6990 118.0201 59.0336 32.3140 178.5092 57 Q 4.1378 7.5666 117.4878 55.2800 30.5185 177.2742 58 K 3.9275 8.5630 124.5722 59.3198 32.4431 179.3019 59 W 4.4996 8.2509 116.5536 59.3399 27.7744 178.4602 60 V 2.8822 6.7128 118.6933 65.7047 30.9795 177.8485 61 Q 3.8348 7.5476 117.3805 59.0636 28.5476 178.5666 62 D 4.5896 8.4720 121.5886 57.0170 40.8549 179.0757 63 S 4.2107 8.0765 115.7246 61.5284 62.7959 176.8176 64 I 3.3290 7.8441 122.8776 64.1264 36.5728 178.1668 65 D 4.3105 8.2636 119.9801 57.5077 40.5622 178.1036 66 H 4.1801 8.2427 118.6252 59.5651 29.7014 177.3523 67 L 4.1484 8.1571 120.1023 57.3897 41.1476 178.9111 68 D 4.4402 7.7632 118.0627 56.4887 41.1512 178.5853 69 K 4.1649 8.2132 119.1400 59.2889 32.0787 178.9931 70 Q 4.1404 7.7006 117.3694 59.0386 29.0490 176.0813 71 T 4.0316 7.4495 115.6042 61.0693 68.6706 173.7512 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 8 P 0.00 4.36 0.00 2.06 2.11 0.00 3.63 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 1.92 2.08 0.00 9 V 7.45 4.10 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 0.81 0.00 0.00 0.93 0.00 0.00 10 T 9.13 4.69 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 11 C 8.61 5.04 0.00 2.85 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 12 C 8.32 5.01 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.61 4.07 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.66 4.80 0.00 2.63 2.63 0.00 0.00 6.81 7.45 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 15 F 8.24 5.24 0.00 3.14 2.98 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 16 T 8.77 4.27 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 17 N 8.86 4.90 0.00 2.80 2.90 0.00 0.00 6.95 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 18 R 7.41 4.29 0.00 1.64 1.70 0.00 3.15 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 19 K 7.77 2.00 0.00 0.79 1.17 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.97 0.86 7.81 20 I 6.75 4.21 1.72 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 1.17 1.09 0.84 0.00 0.00 21 S 8.59 3.97 0.00 3.77 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 22 V 8.44 3.57 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 0.81 0.00 0.00 0.79 0.00 0.00 23 Q 7.95 4.37 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 24 R 8.29 4.53 0.00 1.93 1.89 0.00 3.08 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 25 L 7.52 4.86 0.00 1.71 1.71 0.55 0.55 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 26 A 9.17 4.52 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 27 S 7.47 4.85 0.00 3.90 4.04 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 28 Y 8.39 5.66 0.00 2.67 2.97 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 29 R 8.01 4.32 0.00 1.70 1.83 0.00 2.87 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 30 R 8.17 5.06 0.00 1.66 1.84 0.00 3.21 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 31 I 8.19 4.06 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.88 0.00 0.00 32 T 8.46 4.49 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 1.25 0.00 0.00 33 S 7.94 4.21 0.00 3.86 3.76 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 34 S 8.62 4.30 0.00 4.01 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 35 K 7.62 4.14 0.00 1.72 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.41 7.81 36 C 7.87 4.54 0.00 3.06 2.89 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 0.00 0.00 0.00 0.00 37 P 0.00 4.26 0.00 2.08 2.11 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 38 K 7.36 4.65 0.00 1.73 1.83 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.25 7.81 39 E 8.73 4.07 0.00 1.93 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 2.25 2.28 0.00 40 A 8.15 4.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 4.35 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 -0.22 0.00 0.00 0.70 0.00 0.00 42 I 8.52 4.87 1.85 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 1.26 0.62 0.99 0.00 0.00 43 F 9.02 5.06 0.00 3.16 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 44 K 9.21 5.14 0.00 1.88 1.72 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 45 T 8.97 4.98 4.36 0.00 0.00 0.00 0.00 0.00 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 46 I 8.44 3.96 1.89 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 1.36 0.61 0.95 0.00 0.00 47 V 7.76 4.06 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 0.84 0.00 0.00 0.95 0.00 0.00 48 A 8.25 3.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.91 4.65 0.00 1.78 1.77 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 50 E 8.71 5.33 0.00 1.90 1.93 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 2.29 2.37 0.00 51 I 8.82 4.83 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 1.12 0.00 0.00 52 C 9.05 5.24 0.00 3.15 3.19 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 0.00 53 A 9.45 5.35 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 54 D 8.30 3.48 0.00 1.98 2.23 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 55 P 0.00 4.11 0.00 1.92 1.96 0.00 3.36 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 56 K 8.70 4.02 0.00 1.68 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.36 7.81 57 Q 7.57 4.14 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 58 K 8.56 3.93 0.00 1.82 1.85 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.81 1.45 7.81 59 W 8.25 4.50 0.00 3.57 3.29 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 60 V 6.71 2.88 1.72 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 0.83 0.00 0.00 -0.57 0.00 0.00 61 Q 7.55 3.83 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 62 D 8.47 4.59 0.00 2.67 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 63 S 8.08 4.21 0.00 4.10 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 64 I 7.84 3.33 1.83 0.00 0.00 -0.40 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 0.71 0.59 0.00 0.00 65 D 8.26 4.31 0.00 2.83 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 66 H 8.24 4.18 0.00 3.27 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.16 4.15 0.00 1.97 1.94 1.22 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.76 4.44 0.00 2.90 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 69 K 8.21 4.16 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 70 Q 7.70 4.14 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 71 T 7.45 4.03 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 1.31 0.00 0.00