NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1714 8.3044 120.3480 54.5818 34.1717 172.2918 2 K 3.5460 7.8244 127.4986 57.8007 31.5216 173.8832 3 G 3.8535 10.1876 117.6098 46.7018 0.0000 170.7287 4 M 4.6473 8.2078 122.1002 56.3541 35.1616 176.2746 5 S 4.5338 7.8724 110.0639 60.0501 68.8522 175.6483 6 K 4.4037 7.7339 118.6149 56.0383 30.9471 175.7704 7 M 4.5185 7.4284 119.2889 56.3271 35.2943 174.8589 8 P 4.2763 0.0000 0.0000 63.1264 31.0306 175.8474 9 Q 4.4447 8.3862 122.4609 54.4114 30.0781 176.0337 10 F 4.8173 8.6223 124.1174 56.3790 39.6422 173.4024 11 N 4.5393 8.2025 124.8551 50.6998 38.7689 174.6017 12 L 4.4921 7.4013 120.8919 54.0572 43.6524 175.0994 13 R 4.3342 8.1277 116.2582 54.5405 33.0117 174.7849 14 W 5.2134 8.2643 122.0846 53.7403 32.8776 173.5652 15 P 4.3375 0.0000 0.0000 63.1597 31.6361 177.4373 16 R 3.9840 8.7825 121.1593 59.7852 29.8461 178.8215 17 E 4.0250 8.2073 117.9309 59.2425 29.5859 179.2894 18 V 3.5958 7.7799 117.8991 65.8636 31.5816 177.9842 19 L 4.2708 8.1260 118.2039 58.2845 41.5835 179.1312 20 D 4.5494 8.1993 118.4765 57.1756 40.5573 178.7875 21 L 4.0046 7.8514 120.8748 57.8878 42.1560 178.9225 22 V 3.7279 7.7878 117.8279 66.2125 31.3979 178.2857 23 R 4.0215 8.8409 118.1377 58.6392 29.8812 178.9709 24 K 3.8644 8.0715 119.8189 59.6382 32.3240 179.0868 25 V 3.7459 8.3479 119.9353 65.3504 31.2953 177.8108 26 A 3.5807 7.9005 120.5063 54.8441 18.1909 179.5336 27 E 3.8768 7.9660 117.0085 59.3789 29.4435 179.2649 28 E 3.9271 7.9925 118.4665 59.6429 29.6045 178.9914 29 N 4.4000 7.9422 113.7515 53.7465 39.3352 174.9364 30 G 3.8390 7.6502 105.7926 46.0964 0.0000 173.0984 31 M 4.7976 8.1851 115.7630 52.5842 36.4322 174.8860 32 S 4.3219 8.5260 118.3679 58.2493 64.6012 175.7027 33 V 3.8724 8.4441 121.2503 64.5470 31.4144 178.4412 34 N 4.3723 8.2758 115.7712 56.8408 38.5430 177.5007 35 S 4.4358 8.1303 115.3020 61.1276 63.0501 176.0272 36 Y 4.1613 7.9977 122.8012 60.9721 38.6296 177.8695 37 I 3.5641 7.9790 120.6417 64.1006 36.7930 177.7302 38 Y 4.1380 7.9615 120.3348 60.9419 38.5250 178.1369 39 Q 3.7686 8.0753 117.9064 57.7752 28.8455 178.1622 40 L 3.9601 7.3163 120.0039 57.1232 41.8399 178.8611 41 V 3.9814 8.0209 111.0043 63.0497 31.4009 177.3500 42 M 4.3727 7.2079 118.9787 55.0791 33.1190 177.3435 43 E 4.0697 8.0400 117.3663 57.4634 29.8456 177.5288 44 S 4.5535 7.7209 111.5419 58.8789 64.8393 174.5021 45 F 4.8108 7.2907 123.8028 56.7247 37.8109 175.5854 46 K 3.9631 7.5095 124.2159 58.8103 32.8923 177.2221 47 K 4.3900 7.9033 117.3974 57.0947 30.8138 176.6138 48 E 4.2020 8.9968 120.3740 57.7283 30.8262 175.2939 49 G 3.3556 7.5008 105.6600 45.4749 0.0000 171.8832 50 R 4.2724 7.3034 117.0062 57.0347 32.9465 177.7932 51 I 3.7617 8.4816 123.2769 64.1287 39.2642 176.5819 52 G 3.5062 7.9040 108.0492 46.3877 0.0000 173.1805 53 A 4.1664 8.1775 126.2868 52.0346 19.1839 176.7518 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 4.17 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 7.82 3.55 0.00 1.99 1.96 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.49 7.81 3 G 10.19 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 0.00 0.00 0.00 4 M 8.21 4.65 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 5 S 7.87 4.53 0.00 3.72 3.69 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 6 K 7.73 4.40 0.00 1.73 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 M 7.43 4.52 0.00 1.93 2.01 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 2.48 2.53 0.00 8 P 0.00 4.28 0.00 2.05 2.06 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 9 Q 8.39 4.44 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 10 F 8.62 4.82 0.00 2.88 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 11 N 8.20 4.54 0.00 2.65 2.66 0.00 0.00 5.98 7.74 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 12 L 7.40 4.49 0.00 1.42 1.25 -0.56 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.13 4.33 0.00 1.72 1.81 0.00 3.11 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 14 W 8.26 5.21 0.00 3.27 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 15 P 0.00 4.34 0.00 2.22 2.04 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 16 R 8.78 3.98 0.00 1.90 1.96 0.00 3.20 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 17 E 8.21 4.03 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 18 V 7.78 3.60 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 0.76 0.00 0.00 0.91 0.00 0.00 19 L 8.13 4.27 0.00 2.02 1.82 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.20 4.55 0.00 2.89 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 21 L 7.85 4.00 0.00 1.83 1.77 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.79 3.73 2.45 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 1.26 0.00 0.00 1.13 0.00 0.00 23 R 8.84 4.02 0.00 2.02 1.98 0.00 3.22 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 24 K 8.07 3.86 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.43 7.81 25 V 8.35 3.75 2.02 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 0.92 0.00 0.00 1.01 0.00 0.00 26 A 7.90 3.58 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 0.00 0.00 0.00 0.00 0.00 27 E 7.97 3.88 0.00 2.11 1.98 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 2.53 2.47 0.00 28 E 7.99 3.93 0.00 2.14 1.97 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 2.31 2.49 0.00 29 N 7.94 4.40 0.00 2.61 2.86 0.00 0.00 6.84 7.72 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 30 G 7.65 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 31 M 8.19 4.80 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 32 S 8.53 4.32 0.00 3.96 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 33 V 8.44 3.87 2.22 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 0.91 0.00 0.00 0.99 0.00 0.00 34 N 8.28 4.37 0.00 2.77 2.91 0.00 0.00 7.19 7.14 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 35 S 8.13 4.44 0.00 3.98 4.05 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 Y 8.00 4.16 0.00 3.27 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 37 I 7.98 3.56 2.03 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.44 1.10 0.00 0.00 38 Y 7.96 4.14 0.00 3.14 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 39 Q 8.08 3.77 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.41 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 40 L 7.32 3.96 0.00 1.66 1.58 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.02 3.98 2.32 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 1.21 0.00 0.00 0.98 0.00 0.00 42 M 7.21 4.37 0.00 1.65 1.64 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.07 0.00 43 E 8.04 4.07 0.00 1.92 1.94 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 2.26 2.33 0.00 44 S 7.72 4.55 0.00 3.85 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 45 F 7.29 4.81 0.00 3.08 2.93 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 46 K 7.51 3.96 0.00 1.69 1.72 0.00 1.51 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.19 7.81 47 K 7.90 4.39 0.00 1.77 2.13 0.00 1.90 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.17 7.81 48 E 9.00 4.20 0.00 1.94 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 2.24 2.26 0.00 49 G 7.50 3.36 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 0.00 50 R 7.30 4.27 0.00 1.87 1.77 0.00 3.27 0.00 0.00 3.17 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 51 I 8.48 3.76 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.83 0.00 0.00 52 G 7.90 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 0.00 0.00 0.00 53 A 8.18 4.17 1.19 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 0.00 0.00