NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6032 8.3044 118.1949 54.9580 32.6886 173.9719 2 K 4.3194 8.5566 123.7442 53.5575 34.0974 173.7226 3 R 3.4596 9.5253 130.0267 56.8652 30.4376 174.9941 4 L 4.3189 8.9248 128.7879 54.5607 41.5721 180.2272 5 G 3.7637 7.1965 105.3662 45.0276 0.0000 170.6512 6 K 4.4220 7.8110 120.8387 56.3374 33.6770 177.0359 7 V 4.2233 8.6913 127.6354 62.8641 31.8011 176.6378 8 L 4.1543 9.0481 129.9551 57.8951 42.2836 176.7016 9 H 4.5986 7.7390 111.4755 55.5303 31.8742 172.7715 10 Y 5.0358 8.3558 119.8966 55.6235 38.7464 174.5210 11 A 4.0780 8.9183 132.3287 51.6560 18.9883 178.5759 12 K 3.8593 8.3809 121.4704 59.5371 32.8311 178.0797 13 Q 4.0751 7.8225 116.6825 56.7147 28.7597 176.1946 14 G 3.8365 8.4315 107.5442 46.1465 0.0000 173.6561 15 F 5.1464 7.5714 116.2507 55.1891 43.7196 174.4153 16 L 4.9082 9.2826 123.8519 54.7960 42.9478 175.8243 17 I 5.0458 8.8296 124.6580 59.5885 39.8304 174.7984 18 V 4.8599 8.5782 126.2495 59.9612 34.6981 173.9824 19 R 4.4799 8.4016 127.4446 55.4598 31.2845 174.8571 20 T 4.7936 8.3612 119.7941 60.3846 71.8559 173.2751 21 N 5.2655 8.7371 117.3975 51.7362 37.5641 173.5129 22 W 5.0677 7.4776 114.9280 55.9733 31.3069 174.2061 23 V 3.8428 8.2769 118.2770 60.3350 30.8849 173.3998 24 P 4.2254 0.0000 0.0000 62.0024 31.7994 176.1897 25 S 4.7159 8.7785 114.6090 56.2170 64.8765 173.5830 26 L 3.9614 8.1209 123.2868 56.7874 42.1742 176.7738 27 N 4.5718 9.2227 122.1608 53.4995 36.8933 174.0993 28 D 4.6443 7.6712 119.2867 54.3395 42.1503 176.0945 29 R 4.8056 8.8091 122.2681 56.2448 31.8428 175.4293 30 V 4.9549 9.1604 123.5541 61.3160 34.3756 174.8215 31 V 5.0332 9.1694 120.3991 59.7188 36.5706 174.2890 32 D 5.2268 8.3307 121.3579 51.9494 41.7069 177.4182 33 K 3.5783 8.9818 116.6387 59.4270 32.5392 177.6497 34 R 4.3502 8.0701 116.9621 55.5026 30.1024 176.1530 35 L 3.7018 7.8434 115.6188 55.5677 40.0384 174.3397 36 Q 4.2827 8.5091 119.4716 54.9805 29.2585 175.4810 37 F 4.5950 8.9359 125.6458 58.6547 40.2330 173.3968 38 V 3.5577 7.9490 127.2374 63.0313 33.2543 174.8518 39 G 3.5663 6.0708 105.5163 46.1091 0.0000 170.8076 40 I 5.2656 8.1694 120.6692 58.9838 41.9803 176.1983 41 V 4.2626 8.7275 129.4440 63.2265 31.8123 176.1579 42 K 4.6701 9.0800 126.5261 56.3951 34.4661 175.7541 43 D 4.6711 7.6762 118.0089 53.0708 44.6993 173.9511 44 V 4.9296 8.4326 124.3438 61.1552 34.3727 174.2164 45 F 4.7554 8.6794 121.9695 56.8620 41.9172 174.0753 46 G 3.7913 8.8657 105.6653 44.1621 0.0000 171.0388 47 P 4.3824 0.0000 0.0000 62.3246 31.9634 177.7435 48 V 3.6382 8.4883 122.3368 64.7431 31.3607 177.6880 49 K 4.1610 7.9095 118.4509 58.5905 32.6541 176.7748 50 M 5.1782 7.6295 116.9883 52.3556 31.2833 172.8658 51 P 4.5875 0.0000 0.0000 62.3548 34.1062 176.1045 52 Y 4.5704 8.5087 118.6776 56.8800 39.9582 174.8487 53 V 4.5716 8.6441 122.4259 60.9866 34.7823 173.9855 54 A 5.0601 9.2585 130.6346 50.9710 20.4444 175.7381 55 I 4.8045 9.1327 124.7923 59.5934 39.4937 175.3305 56 K 4.2998 9.3706 130.5864 55.6500 32.8398 174.5705 57 P 4.6010 0.0000 0.0000 62.0076 32.2546 176.3982 58 K 4.6027 8.6429 121.2618 56.1031 33.4027 176.5950 59 V 4.4917 7.4106 111.6825 59.2498 34.1461 176.3614 60 S 4.2092 8.8008 116.4631 61.1512 63.2017 174.7295 61 N 4.7963 7.7667 122.6853 49.8232 38.6959 173.0266 62 P 4.4571 0.0000 0.0000 65.0406 31.5067 178.1322 63 E 3.9775 7.8664 118.5563 58.9785 29.1318 178.5348 64 I 3.7921 7.1076 111.0022 62.9495 38.0648 176.7481 65 Y 4.4353 7.7302 117.4423 57.1390 37.9140 175.3918 66 V 3.9754 7.0110 115.5506 62.7390 31.8612 176.7430 67 G 3.9895 9.1640 114.2174 45.0476 0.0000 172.8855 68 E 4.6136 8.0350 119.5555 55.1438 31.7121 175.3628 69 V 4.4800 8.3458 122.5855 62.1734 32.8081 175.0894 70 L 5.2120 8.6470 126.8849 53.3793 45.3588 174.8875 71 Y 5.2290 9.2521 117.4156 56.3882 42.9563 174.7508 72 V 4.6829 8.9852 122.8941 61.8023 32.9619 174.7390 73 D 4.8351 8.7990 129.2716 54.3495 41.6934 175.7682 74 E 4.2764 8.6756 125.6708 56.3829 30.0347 174.9696 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 2.15 2.24 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 2 K 8.56 4.32 0.00 1.64 1.56 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.72 1.05 7.81 3 R 9.53 3.46 0.00 1.87 1.79 0.00 3.15 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.00 4 L 8.92 4.32 0.00 1.74 1.52 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.20 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 0.00 0.00 0.00 6 K 7.81 4.42 0.00 1.87 1.66 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.51 7.81 7 V 8.69 4.22 2.34 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 1.08 0.00 0.00 1.05 0.00 0.00 8 L 9.05 4.15 0.00 1.32 1.54 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.74 4.60 0.00 3.22 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.36 5.04 0.00 3.05 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 11 A 8.92 4.08 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 K 8.38 3.86 0.00 1.81 1.90 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.40 7.81 13 Q 7.82 4.08 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 14 G 8.43 3.84 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 0.00 0.00 0.00 15 F 7.57 5.15 0.00 2.99 2.92 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 0.00 0.00 0.00 16 L 9.28 4.91 0.00 1.70 1.70 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.83 5.05 2.06 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 1.34 0.89 1.12 0.00 0.00 18 V 8.58 4.86 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 1.05 0.00 0.00 0.92 0.00 0.00 19 R 8.40 4.48 0.00 1.52 1.60 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.00 20 T 8.36 4.79 4.06 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 0.00 0.00 0.92 0.00 0.00 21 N 8.74 5.27 0.00 2.85 2.83 0.00 0.00 5.75 8.88 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 22 W 7.48 5.07 0.00 3.54 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 3.84 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 0.79 0.00 0.00 0.91 0.00 0.00 24 P 0.00 4.23 0.00 1.79 1.48 0.00 3.29 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.00 25 S 8.78 4.72 0.00 4.02 4.03 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 0.00 0.00 0.00 26 L 8.12 3.96 0.00 1.64 1.64 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 N 9.22 4.57 0.00 2.96 3.04 0.00 0.00 7.05 7.63 0.00 0.00 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 D 7.67 4.64 0.00 2.78 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 29 R 8.81 4.81 0.00 1.90 2.10 0.00 3.02 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 30 V 9.16 4.95 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 0.95 0.00 0.00 1.00 0.00 0.00 31 V 9.17 5.03 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 0.84 0.00 0.00 1.06 0.00 0.00 32 D 8.33 5.23 0.00 2.95 3.03 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 0.00 0.00 0.00 33 K 8.98 3.58 0.00 1.79 2.10 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 R 8.07 4.35 0.00 1.84 1.98 0.00 3.37 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 35 L 7.84 3.70 0.00 1.82 1.79 0.90 0.85 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 36 Q 8.51 4.28 0.00 2.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 37 F 8.94 4.59 0.00 2.94 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 38 V 7.95 3.56 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 0.28 0.00 0.00 0.50 0.00 0.00 39 G 6.07 3.57 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 0.00 0.00 0.00 40 I 8.17 5.27 2.04 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 1.20 1.51 1.03 0.00 0.00 41 V 8.73 4.26 2.21 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 0.94 0.00 0.00 0.95 0.00 0.00 42 K 9.08 4.67 0.00 1.87 1.92 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.73 7.81 43 D 7.68 4.67 0.00 2.54 2.44 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 44 V 8.43 4.93 2.04 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 0.77 0.00 0.00 0.84 0.00 0.00 45 F 8.68 4.76 0.00 3.06 3.03 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 0.00 0.00 0.00 46 G 8.87 3.79 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 0.00 0.00 0.00 47 P 0.00 4.38 0.00 2.16 1.99 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 48 V 8.49 3.64 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 0.72 0.00 0.00 0.93 0.00 0.00 49 K 7.91 4.16 0.00 1.75 1.90 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.36 7.81 50 M 7.63 5.18 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 51 P 0.00 4.59 0.00 1.92 2.10 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 52 Y 8.51 4.57 0.00 1.43 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 0.00 0.00 0.00 53 V 8.64 4.57 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 0.85 0.00 0.00 0.62 0.00 0.00 54 A 9.26 5.06 1.06 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 0.00 0.00 0.00 0.00 0.00 55 I 9.13 4.80 1.93 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 1.29 1.00 0.90 0.00 0.00 56 K 9.37 4.30 0.00 2.02 1.93 0.00 1.23 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.45 7.81 57 P 0.00 4.60 0.00 1.91 1.86 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 58 K 8.64 4.60 0.00 1.60 1.94 0.00 1.89 0.00 0.00 2.13 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.41 7.81 59 V 7.41 4.49 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 0.76 0.00 0.00 0.89 0.00 0.00 60 S 8.80 4.21 0.00 3.97 4.01 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 0.00 0.00 0.00 61 N 7.77 4.80 0.00 2.73 2.71 0.00 0.00 6.83 8.03 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 62 P 0.00 4.46 0.00 1.48 2.03 0.00 3.48 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.59 0.00 63 E 7.87 3.98 0.00 2.01 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 2.44 2.41 0.00 64 I 7.11 3.79 1.63 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 -0.19 0.81 0.00 0.00 65 Y 7.73 4.44 0.00 3.18 3.01 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 0.00 0.00 0.00 66 V 7.01 3.98 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 0.75 0.00 0.00 1.06 0.00 0.00 67 G 9.16 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 68 E 8.04 4.61 0.00 2.27 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 2.28 2.36 0.00 69 V 8.35 4.48 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 0.51 0.00 0.00 0.93 0.00 0.00 70 L 8.65 5.21 0.00 1.58 1.53 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 9.25 5.23 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 72 V 8.99 4.68 2.49 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 1.21 0.00 0.00 1.14 0.00 0.00 73 D 8.80 4.84 0.00 2.87 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 74 E 8.68 4.28 0.00 1.92 1.74 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 2.15 2.33 0.00