NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3098 8.1749 110.9420 61.7120 68.8929 173.0965 2 E 4.2147 8.1860 128.2723 54.1453 31.0266 173.6605 3 P 4.2159 0.0000 0.0000 62.8320 31.3306 174.8782 4 A 4.1193 8.2536 125.8877 50.5175 19.1858 175.4587 5 P 4.3415 0.0000 0.0000 62.2960 31.1359 175.4131 6 P 4.4837 0.0000 0.0000 63.2518 31.5561 176.0419 7 E 4.5357 7.0540 116.5976 54.9535 30.1720 173.2209 8 H 4.1968 7.6165 131.3791 54.7509 35.5970 172.9280 9 A 4.7915 7.9624 124.0234 50.4257 21.8738 176.6708 10 I 4.4319 7.9398 120.5459 59.2345 37.9625 174.9406 11 K 5.1171 8.3231 122.8615 55.3733 30.9927 176.1585 12 M 4.4006 7.6680 123.3333 56.8731 34.8173 177.5887 13 D 4.3532 7.6526 121.6093 55.7356 40.7872 178.7796 14 S 4.5384 6.5036 110.3491 56.5058 64.3855 175.1099 15 F 5.6046 7.3656 118.7226 55.8787 41.8439 176.2675 16 R 5.0195 8.4630 117.3092 55.5334 32.3955 175.1059 17 D 4.6588 8.9658 124.5621 52.6091 41.5862 175.2570 18 V 4.4783 8.1076 117.2833 61.1014 34.0366 176.3647 19 W 4.1763 8.9103 126.0684 57.2892 27.3577 176.7152 20 M 4.7959 7.4720 130.9174 54.3752 31.4693 175.9624 21 L 4.9807 6.9582 122.3646 54.7166 44.8552 173.3381 22 R 4.5100 6.7445 116.7978 56.5313 33.7810 173.2403 23 G 4.6849 7.9149 114.3610 46.9043 0.0000 171.9751 24 K 4.7747 7.4063 124.1531 54.4383 35.1215 175.5580 25 Y 5.1889 8.1185 120.6284 56.9998 41.8253 174.2323 26 V 4.6865 8.8321 123.5830 59.7598 34.0392 174.7526 27 A 4.7858 7.9701 123.2305 50.0399 22.3814 175.0520 28 F 5.1870 8.4802 117.3205 55.9032 42.5628 174.9851 29 V 4.5323 8.7444 115.1090 59.8564 35.4316 174.2508 30 L 5.0216 8.8024 125.4680 53.4685 43.9919 176.1521 31 M 4.9373 8.4682 124.2937 54.0411 34.6355 176.1196 32 G 4.1561 8.4663 109.6833 46.0636 0.0000 173.5058 33 E 4.8781 7.9407 120.8698 56.4679 37.4300 174.9914 34 S 4.8105 7.7105 113.0066 56.7104 66.9924 172.5606 35 F 5.2948 7.7249 115.0243 55.8267 40.2062 173.4537 36 L 4.9944 8.7265 120.7317 53.2602 44.7246 175.8587 37 R 4.5309 8.7586 121.9238 55.0770 32.5235 173.6718 38 S 4.5429 8.1247 122.4019 55.7570 64.0000 171.9816 39 P 4.5844 0.0000 0.0000 62.0815 32.3651 175.5968 40 A 4.0306 8.3622 122.1296 52.9799 18.7198 177.4617 41 F 4.6015 9.4538 123.8115 56.6054 42.1905 177.3026 42 T 5.2526 9.2321 116.4246 62.7097 69.3552 174.1601 43 V 4.3820 7.7819 121.5326 58.4852 33.7192 174.5065 44 P 2.9700 0.0000 0.0000 64.8378 31.0823 178.3366 45 E 3.7827 7.6028 118.3462 59.4187 29.4523 178.9292 46 S 3.9786 7.7582 112.2132 61.1444 62.4477 175.6308 47 A 3.4850 6.8793 123.0925 55.2111 17.8960 179.3675 48 Q 4.2406 7.4013 115.9684 59.1687 29.1310 178.7222 49 R 3.9508 7.6671 120.1890 58.7607 29.9458 178.3169 50 W 3.8925 8.4707 128.3299 60.4178 30.7780 177.8114 51 A 4.2122 8.2965 120.3522 55.3737 17.8957 179.0990 52 N 4.2707 8.4020 115.5100 56.7408 38.6148 176.6788 53 Q 3.8800 8.0364 121.0177 59.3923 29.0548 178.7273 54 I 3.6207 7.4614 120.3162 64.2638 36.9879 178.5227 55 R 3.9397 8.1050 118.3657 59.4054 30.0523 178.7707 56 Q 4.0988 8.4234 116.2173 59.2935 28.3622 178.0250 57 E 4.3837 7.5624 120.1397 57.2857 30.7033 177.3238 58 G 4.1365 7.5506 106.5033 42.4328 0.0000 172.4373 59 E 4.2039 8.1051 124.3531 55.6966 28.0180 175.8103 60 V 3.7725 8.0106 115.8639 61.8695 31.8001 176.9357 61 T 4.5687 8.0841 115.4469 61.0691 69.3296 173.6451 62 E 4.1135 8.4904 127.0861 57.8929 29.6369 174.4517 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 T 8.17 4.31 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 1.23 0.00 0.00 2 E 8.19 4.21 0.00 2.08 1.92 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 2.28 2.41 0.00 3 P 0.00 4.22 0.00 2.04 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 4 A 8.25 4.12 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.34 0.00 2.16 2.19 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 6 P 0.00 4.48 0.00 2.07 2.15 0.00 3.62 0.00 0.00 3.92 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 7 E 7.05 4.54 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 8 H 7.62 4.20 0.00 3.04 3.05 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.96 4.79 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 10 I 7.94 4.43 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 1.00 0.00 0.00 11 K 8.32 5.12 0.00 1.91 2.15 0.00 1.20 0.00 0.00 2.45 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.49 7.81 12 M 7.67 4.40 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 13 D 7.65 4.35 0.00 2.63 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 14 S 6.50 4.54 0.00 3.81 3.95 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 15 F 7.37 5.60 0.00 3.37 3.08 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 16 R 8.46 5.02 0.00 1.94 2.00 0.00 3.14 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 17 D 8.97 4.66 0.00 2.92 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 18 V 8.11 4.48 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 0.98 0.00 0.00 0.92 0.00 0.00 19 W 8.91 4.18 0.00 3.44 3.07 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 0.00 0.00 0.00 0.00 20 M 7.47 4.80 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 21 L 6.96 4.98 0.00 1.59 1.58 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 R 6.74 4.51 0.00 1.90 1.77 0.00 3.39 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 23 G 7.91 4.68 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 0.00 24 K 7.41 4.77 0.00 1.53 1.60 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.15 7.81 25 Y 8.12 5.19 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.83 4.69 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 0.92 0.00 0.00 0.61 0.00 0.00 27 A 7.97 4.79 1.65 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 0.00 0.00 28 F 8.48 5.19 0.00 2.89 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 29 V 8.74 4.53 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 1.01 0.00 0.00 1.14 0.00 0.00 30 L 8.80 5.02 0.00 1.47 1.57 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.47 4.94 0.00 1.99 2.18 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 2.66 2.50 0.00 32 G 8.47 4.16 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 0.00 0.00 0.00 33 E 7.94 4.88 0.00 1.91 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 2.19 2.31 0.00 34 S 7.71 4.81 0.00 3.84 3.60 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 35 F 7.72 5.29 0.00 3.24 3.05 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 0.00 0.00 0.00 36 L 8.73 4.99 0.00 1.74 1.94 1.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.76 4.53 0.00 2.06 2.01 0.00 3.40 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.96 0.00 38 S 8.12 4.54 0.00 2.72 2.88 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 0.00 0.00 0.00 39 P 0.00 4.58 0.00 1.86 1.90 0.00 3.42 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 40 A 8.36 4.03 1.21 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 41 F 9.45 4.60 0.00 3.06 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 42 T 9.23 5.25 4.35 0.00 0.00 0.00 0.00 0.00 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 43 V 7.78 4.38 1.95 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 0.54 0.00 0.00 0.81 0.00 0.00 44 P 0.00 2.97 0.00 1.93 1.62 0.00 3.42 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 45 E 7.60 3.78 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 46 S 7.76 3.98 0.00 3.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 6.88 3.48 -0.04 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 0.00 0.00 48 Q 7.40 4.24 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 49 R 7.67 3.95 0.00 1.84 2.09 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 50 W 8.47 3.89 0.00 3.64 3.21 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 51 A 8.30 4.21 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.27 0.00 3.33 2.83 0.00 0.00 6.87 6.59 0.00 0.00 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 Q 8.04 3.88 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 54 I 7.46 3.62 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.95 0.00 0.00 55 R 8.11 3.94 0.00 1.98 2.02 0.00 3.38 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 56 Q 8.42 4.10 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 57 E 7.56 4.38 0.00 2.00 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 2.28 2.28 0.00 58 G 7.55 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.11 4.20 0.00 1.98 1.95 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 2.32 2.33 0.00 60 V 8.01 3.77 2.09 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 0.77 0.00 0.00 0.94 0.00 0.00 61 T 8.08 4.57 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 1.26 0.00 0.00 62 E 8.49 4.11 0.00 2.13 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 0.00 2.22 2.29 0.00