NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2447 8.2601 123.5787 52.1844 19.8346 175.7271 5 A 4.5782 7.9365 123.2019 50.7341 22.7648 174.9214 6 D 4.6943 8.1526 120.4898 53.3528 40.4725 175.6831 7 T 4.0233 7.4053 111.6374 60.5349 70.0241 173.0183 8 P 4.3365 0.0000 0.0000 63.1930 31.9105 175.5888 9 T 4.4136 8.1488 110.1057 59.9013 70.5578 173.9901 10 A 4.3200 8.3329 127.3694 51.8353 19.3600 177.5744 11 C 4.9094 8.4670 119.6911 55.1326 43.9124 174.2589 12 C 4.7453 8.3373 120.5783 55.9706 41.0302 173.6392 13 F 4.4060 8.4415 120.2381 57.1345 40.7399 174.5010 14 S 4.2280 7.4893 113.0124 57.2809 65.6912 172.4837 15 Y 5.1647 7.8668 116.9140 56.0010 40.9903 175.8961 16 T 4.1967 9.1080 118.5014 62.5915 67.9241 174.0247 17 S 4.7733 8.6435 117.7713 57.5705 64.4560 173.5398 18 R 4.4249 7.8127 121.7555 53.9868 31.4015 175.0439 19 Q 2.5200 8.3206 126.0130 55.9728 29.1609 176.0676 20 I 3.7675 6.9019 125.9689 59.9751 38.1262 174.0838 21 P 3.8714 0.0000 0.0000 62.8187 31.7345 177.1784 22 Q 3.3734 8.4842 123.4794 58.7886 29.1001 176.9194 23 N 4.5455 7.7080 113.1127 53.0228 37.5128 175.4559 24 F 4.8791 7.8589 118.4364 58.5567 39.9279 175.8483 25 I 4.3064 7.6721 122.5762 61.1473 37.2331 175.3062 26 A 4.6252 8.5358 127.2786 53.2017 21.0925 175.3555 27 D 4.5671 7.8775 113.1296 54.6269 44.7724 173.8320 28 Y 4.7957 7.6155 116.8979 55.9545 40.8700 173.8951 29 F 4.2850 8.3888 117.4797 56.0302 44.0343 173.0585 30 E 5.1249 8.5892 121.9300 54.9298 31.1385 175.7213 31 T 4.2930 8.4679 116.2305 60.9330 70.2080 174.5478 32 S 4.2292 8.5871 117.3999 58.4485 62.9369 175.3642 33 S 4.3416 8.4634 119.5316 60.4363 63.1924 175.5050 34 Q 4.0685 8.4340 120.6993 58.7749 28.6065 176.1181 35 C 4.3519 7.7868 114.8366 57.1149 40.6419 173.9784 36 S 4.1713 8.2864 114.6444 59.4804 63.3771 174.3527 37 K 4.6887 7.3360 118.9517 53.6737 35.5822 174.1448 38 P 4.4823 0.0000 0.0000 62.9873 32.1491 175.6709 39 G 4.2072 7.8509 104.5206 45.7594 0.0000 172.2921 40 V 4.8085 8.1542 119.4225 60.8710 34.9212 174.1883 41 I 4.9062 8.5108 128.6320 59.9053 39.0122 174.9187 42 F 5.0801 9.1774 126.8909 56.6711 40.8957 174.4955 43 L 5.3699 8.9994 124.9187 53.7837 44.4341 176.3119 44 T 5.0494 8.7789 117.2178 60.2911 71.1316 175.7883 45 K 4.0364 8.6976 120.4035 59.0387 32.0167 178.3053 46 R 4.2129 7.6340 117.0518 55.9488 29.9480 176.7288 47 S 4.1734 8.4469 111.5553 59.2433 61.0560 170.0386 48 R 4.1355 7.7861 120.4198 56.6682 30.9714 175.3889 49 Q 5.0449 8.7504 122.6747 54.6954 30.3038 175.1411 50 V 4.5870 9.2410 124.4044 61.2669 34.8231 173.6720 51 C 5.2370 9.0353 124.9746 56.5173 36.1426 172.4369 52 A 5.1528 8.9686 123.9874 49.8807 22.9411 174.9615 53 D 3.3700 8.2200 120.5156 52.8773 41.1459 175.3946 54 P 4.0685 0.0000 0.0000 64.5762 31.4042 177.0427 55 S 4.4731 7.8031 112.6657 58.7012 63.8636 174.8186 56 E 4.1087 7.6471 122.5734 55.6351 31.1542 177.0789 57 E 3.8765 8.6169 123.2609 59.4564 29.6555 179.8802 58 W 4.1644 8.0285 115.9923 59.4786 28.0082 178.6431 59 V 3.0741 6.4767 112.7465 64.0840 30.9921 178.0371 60 Q 3.8748 7.5075 117.4028 58.8722 28.4547 179.2020 61 K 3.9323 8.1551 120.2583 59.9821 32.3525 178.4927 62 Y 4.2091 8.6119 117.3593 61.0586 37.7017 179.0140 63 V 3.1936 7.9556 119.3375 65.7264 31.5639 178.0736 64 S 3.9853 7.9751 112.8741 61.4646 62.0549 175.5966 65 D 4.3678 8.1182 120.5331 57.6299 40.6851 178.5968 66 L 4.1593 7.6300 117.8196 58.0203 41.6904 179.2435 67 E 4.2199 7.9531 117.5245 58.5565 30.0888 178.0458 68 L 4.5544 8.0902 119.5386 53.8406 41.7842 176.9503 69 S 4.3029 7.7335 117.9717 59.1962 62.3476 175.7976 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 4 A 8.26 4.24 1.25 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 5 A 7.94 4.58 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 6 D 8.15 4.69 0.00 2.65 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 7 T 7.41 4.02 4.21 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 1.18 0.00 0.00 8 P 0.00 4.34 0.00 2.20 2.10 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 9 T 8.15 4.41 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 1.20 0.00 0.00 10 A 8.33 4.32 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 11 C 8.47 4.91 0.00 2.76 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.75 0.00 2.96 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 13 F 8.44 4.41 0.00 2.99 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 14 S 7.49 4.23 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 5.16 0.00 3.02 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 16 T 9.11 4.20 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 1.62 0.00 0.00 17 S 8.64 4.77 0.00 4.05 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 18 R 7.81 4.42 0.00 1.76 1.81 0.00 3.23 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 19 Q 8.32 2.52 0.00 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 20 I 6.90 3.77 1.77 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 1.49 0.62 0.99 0.00 0.00 21 P 0.00 3.87 0.00 0.49 1.35 0.00 3.36 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 22 Q 8.48 3.37 0.00 1.49 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.12 0.00 0.00 0.00 0.00 0.00 1.99 1.33 0.00 23 N 7.71 4.55 0.00 2.88 2.82 0.00 0.00 5.97 7.43 0.00 0.00 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 F 7.86 4.88 0.00 3.16 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 25 I 7.67 4.31 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 1.04 0.00 0.00 26 A 8.54 4.63 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 27 D 7.88 4.57 0.00 2.69 2.36 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 28 Y 7.62 4.80 0.00 2.51 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 29 F 8.39 4.28 0.00 2.96 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 30 E 8.59 5.12 0.00 2.07 1.85 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 2.22 2.49 0.00 31 T 8.47 4.29 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 1.22 0.00 0.00 32 S 8.59 4.23 0.00 3.85 3.75 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 0.00 0.00 0.00 0.00 33 S 8.46 4.34 0.00 4.01 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 34 Q 8.43 4.07 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 7.79 4.35 0.00 3.07 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 S 8.29 4.17 0.00 4.02 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 0.00 37 K 7.34 4.69 0.00 1.62 1.74 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.25 7.81 38 P 0.00 4.48 0.00 2.00 1.95 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 39 G 7.85 4.21 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 0.00 0.00 0.00 40 V 8.15 4.81 1.69 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 0.06 0.00 0.00 0.76 0.00 0.00 41 I 8.51 4.91 2.17 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 1.12 0.00 0.00 42 F 9.18 5.08 0.00 3.22 3.11 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 0.00 0.00 0.00 43 L 9.00 5.37 0.00 1.92 1.60 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.78 5.05 4.44 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 1.42 0.00 0.00 45 K 8.70 4.04 0.00 1.79 1.92 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.55 7.81 46 R 7.63 4.21 0.00 1.64 1.89 0.00 3.25 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 47 S 8.45 4.17 0.00 4.10 4.08 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 48 R 7.79 4.14 0.00 1.81 1.95 0.00 3.31 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 49 Q 8.75 5.04 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 50 V 9.24 4.59 2.39 0.00 0.00 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 1.10 0.00 0.00 51 C 9.04 5.24 0.00 3.05 3.27 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 52 A 8.97 5.15 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 53 D 8.22 3.37 0.00 1.95 2.31 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 54 P 0.00 4.07 0.00 2.06 1.99 0.00 3.31 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 55 S 7.80 4.47 0.00 3.91 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 56 E 7.65 4.11 0.00 1.83 1.33 0.00 0.00 0.00 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 2.24 0.00 57 E 8.62 3.88 0.00 2.01 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 2.37 2.33 0.00 58 W 8.03 4.16 0.00 3.25 3.15 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 0.00 0.00 0.00 0.00 59 V 6.48 3.07 1.61 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 -0.55 0.00 0.00 0.63 0.00 0.00 60 Q 7.51 3.87 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 61 K 8.16 3.93 0.00 1.95 2.16 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.71 7.81 62 Y 8.61 4.21 0.00 3.20 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 63 V 7.96 3.19 1.96 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 0.34 0.00 0.00 0.45 0.00 0.00 64 S 7.98 3.99 0.00 3.92 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 65 D 8.12 4.37 0.00 2.69 2.68 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 66 L 7.63 4.16 0.00 1.81 1.88 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.95 4.22 0.00 2.08 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 2.51 2.52 0.00 68 L 8.09 4.55 0.00 1.57 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.73 4.30 0.00 3.91 3.75 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 0.00 0.00 0.00 0.00