NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2711 8.1233 122.4560 51.7219 20.9759 175.7515 2 D 4.3823 8.4402 119.4216 53.4810 40.3165 175.8845 3 C 4.4917 9.5693 125.1612 59.5241 39.0625 174.3333 4 A 4.6649 7.2261 117.5277 50.7844 22.1990 175.5359 5 K 4.7981 9.5163 121.8883 53.1887 35.4454 176.5721 6 G 3.9291 7.6268 112.5133 45.1473 0.0000 171.5868 7 K 4.7763 7.7570 118.0513 54.7480 33.0377 176.9199 8 I 4.0903 8.0906 122.4680 61.4510 37.4764 176.1386 9 E 4.4178 9.4393 127.0143 59.0438 30.2106 176.8704 10 F 5.1154 7.3939 112.0057 55.9612 41.0958 173.2137 11 S 5.1281 8.7588 113.4832 56.8347 66.6341 173.1459 12 K 4.4899 8.1656 121.1278 55.4805 35.5996 173.8280 13 Y 4.7324 8.7916 128.8024 57.0545 40.2953 174.2006 14 N 4.9395 8.5346 123.9933 51.3275 40.8886 176.0148 15 E 4.0382 8.6744 119.5004 59.1719 29.6639 177.7452 16 D 4.6757 7.9802 116.6449 52.9675 39.5524 176.2181 17 D 4.1025 8.4014 116.9332 55.4035 38.9483 173.7531 18 T 4.7457 7.6875 111.1836 60.6593 71.9231 173.0720 19 F 5.2335 9.1549 122.7420 57.1465 43.0171 173.1173 20 T 5.4079 8.8082 122.9328 62.1353 71.1012 173.9797 21 V 4.6999 8.9719 117.7353 59.3576 36.4179 174.2653 22 K 4.6370 7.9973 124.4241 54.5524 34.4092 175.0562 23 V 4.5779 8.7295 127.0778 61.6523 34.9698 174.8182 24 D 4.3134 9.8909 127.1905 55.3890 39.5158 174.2267 25 G 3.9786 9.3049 104.4793 45.2161 0.0000 173.8354 26 K 4.5889 7.9920 119.1842 54.3953 35.5294 174.8551 27 E 4.9397 8.5527 122.8847 55.0544 31.9746 174.7691 28 Y 4.9647 8.8914 120.2478 56.1170 42.8830 174.1561 29 W 5.8340 8.9240 118.4294 55.2045 32.2640 173.9866 30 T 4.6478 9.6940 115.2023 59.2022 70.2826 174.2545 31 S 4.7381 8.7770 120.5403 58.2364 63.9511 174.2130 32 R 4.2267 7.9169 122.2573 55.3408 29.6048 177.1860 33 W 4.4892 8.8719 124.6819 59.9827 28.9332 178.1132 34 N 4.3687 8.3942 115.9194 56.2840 37.9538 176.7980 35 L 4.1933 8.0241 119.4828 56.5867 41.6820 179.1190 36 Q 2.8009 8.0284 119.5129 58.2154 28.5867 177.0809 37 P 4.2368 0.0000 0.0000 65.5707 31.4217 178.3866 38 L 3.8369 7.2901 116.3876 57.5952 41.4688 179.3558 39 L 4.3490 8.4715 119.5264 57.7976 41.6481 179.2660 40 Q 4.1781 8.3554 119.6914 59.2928 28.9978 178.4632 41 S 4.1187 8.4994 116.3769 61.5242 62.8048 176.4657 42 A 4.0594 8.2507 123.5901 55.2244 18.0319 179.4852 43 Q 3.9583 8.6221 118.4267 59.4485 28.9795 178.4051 44 L 4.0778 8.4303 119.3607 57.3460 41.7431 178.6382 45 T 4.4808 7.7986 106.6828 60.5491 69.2813 174.7090 46 G 3.9059 7.8614 109.3640 47.1086 0.0000 174.2607 47 M 4.4306 8.1642 118.6948 55.3229 33.6796 175.7809 48 T 4.5554 8.7716 118.6601 62.7961 70.2502 174.4844 49 V 4.7568 8.8216 120.0058 59.7528 35.3882 175.0455 50 T 4.8081 8.3007 119.9058 61.7052 71.3432 173.4705 51 I 3.8444 8.4854 129.1317 60.6812 38.2486 175.3748 52 K 5.3284 8.2930 126.2684 53.8394 34.5561 175.5052 53 S 4.5549 8.1474 117.0594 57.6586 64.8227 174.8354 54 S 4.2690 8.8066 119.3174 60.3012 63.0337 174.5795 55 T 4.5349 7.7872 116.8826 62.1705 70.2879 172.9516 56 C 4.8681 8.7438 122.7440 56.3598 38.5672 173.6777 57 E 4.1158 8.0275 122.2194 55.9212 29.7592 176.1883 58 S 3.8139 8.3804 120.3318 59.7208 62.8563 174.4347 59 G 3.9882 9.3598 115.9346 45.0978 0.0000 173.5358 60 S 4.8274 7.8444 115.2453 57.4313 65.6230 173.5629 61 G 2.9484 8.1573 107.3452 44.9356 0.0000 172.8199 62 F 4.9344 8.0660 113.7073 55.4955 41.5344 175.0820 63 A 4.2997 8.2524 119.6596 51.9998 20.5532 175.2632 64 E 4.8699 8.2378 119.3579 55.4379 32.9603 174.8358 65 V 4.7118 8.3209 125.1774 60.5215 34.4348 173.2912 66 Q 4.4835 8.6373 125.5220 54.5804 31.2981 173.9545 67 F 5.0858 8.7236 123.2886 55.8200 41.4426 174.3576 68 N 5.1771 9.4041 121.1320 51.6284 42.4335 174.2313 69 N 5.2231 8.5228 119.0112 51.6151 41.2811 175.1073 70 D 4.5198 8.5408 118.3999 55.1588 40.9083 176.7485 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 8.12 4.27 1.23 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 0.00 0.00 2 D 8.44 4.38 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.57 4.49 0.00 2.30 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.23 4.66 1.22 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 0.00 0.00 0.00 5 K 9.52 4.80 0.00 1.59 1.58 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.34 7.81 6 G 7.63 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 7 K 7.76 4.78 0.00 1.77 1.76 0.00 1.81 0.00 0.00 2.38 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.42 7.81 8 I 8.09 4.09 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.99 0.00 0.00 9 E 9.44 4.42 0.00 1.83 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 0.00 2.35 2.39 0.00 10 F 7.39 5.12 0.00 3.04 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 11 S 8.76 5.13 0.00 3.61 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 12 K 8.17 4.49 0.00 1.93 1.73 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.40 7.81 13 Y 8.79 4.73 0.00 3.32 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 14 N 8.53 4.94 0.00 2.82 2.61 0.00 0.00 6.69 7.64 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 15 E 8.67 4.04 0.00 1.96 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 2.37 2.33 0.00 16 D 7.98 4.68 0.00 2.75 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 17 D 8.40 4.10 0.00 3.21 2.99 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 18 T 7.69 4.75 4.67 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 1.29 0.00 0.00 19 F 9.15 5.23 0.00 3.13 3.02 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 0.00 0.00 0.00 0.00 20 T 8.81 5.41 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 1.34 0.00 0.00 21 V 8.97 4.70 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 0.91 0.00 0.00 0.92 0.00 0.00 22 K 8.00 4.64 0.00 0.79 0.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.30 7.81 23 V 8.73 4.58 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 0.93 0.00 0.00 0.82 0.00 0.00 24 D 9.89 4.31 0.00 2.91 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 25 G 9.30 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 26 K 7.99 4.59 0.00 1.87 1.32 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.35 7.81 27 E 8.55 4.94 0.00 1.78 1.78 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 2.06 2.19 0.00 28 Y 8.89 4.96 0.00 2.58 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 29 W 8.92 5.83 0.00 3.57 3.26 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 30 T 9.69 4.65 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 1.25 0.00 0.00 31 S 8.78 4.74 0.00 4.14 4.32 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 32 R 7.92 4.23 0.00 1.84 1.92 0.00 3.24 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 33 W 8.87 4.49 0.00 3.39 3.23 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 34 N 8.39 4.37 0.00 2.77 2.91 0.00 0.00 7.18 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 35 L 8.02 4.19 0.00 1.91 1.83 0.87 1.18 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 36 Q 8.03 2.80 0.00 1.91 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.79 2.33 0.00 37 P 0.00 4.24 0.00 2.29 2.25 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 38 L 7.29 3.84 0.00 1.93 1.37 0.93 0.41 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 39 L 8.47 4.35 0.00 2.09 2.11 1.44 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.36 4.18 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 41 S 8.50 4.12 0.00 3.96 3.85 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 42 A 8.25 4.06 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 3.96 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 44 L 8.43 4.08 0.00 1.84 1.75 0.95 0.90 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 45 T 7.80 4.48 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 1.27 0.00 0.00 46 G 7.86 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 47 M 8.16 4.43 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 48 T 8.77 4.56 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 1.19 0.00 0.00 49 V 8.82 4.76 1.75 0.00 0.00 0.00 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 0.83 0.00 0.00 50 T 8.30 4.81 4.09 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 1.09 0.00 0.00 51 I 8.49 3.84 1.12 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 -0.43 0.00 0.00 52 K 8.29 5.33 0.00 1.63 1.60 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.19 7.81 53 S 8.15 4.55 0.00 3.75 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 54 S 8.81 4.27 0.00 3.88 3.89 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 55 T 7.79 4.53 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 56 C 8.74 4.87 0.00 2.98 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.12 0.00 2.04 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 2.39 2.32 0.00 58 S 8.38 3.81 0.00 3.72 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 59 G 9.36 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 60 S 7.84 4.83 0.00 4.02 4.17 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 61 G 8.16 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 0.00 0.00 0.00 62 F 8.07 4.93 0.00 3.04 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 63 A 8.25 4.30 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.24 4.87 0.00 1.99 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 2.22 2.26 0.00 65 V 8.32 4.71 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 0.73 0.00 0.00 0.35 0.00 0.00 66 Q 8.64 4.48 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 67 F 8.72 5.09 0.00 2.97 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 68 N 9.40 5.18 0.00 2.79 2.68 0.00 0.00 6.52 6.49 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 69 N 8.52 5.22 0.00 2.62 2.80 0.00 0.00 6.99 8.06 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 70 D 8.54 4.52 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00