NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4647 8.1627 120.6051 55.6022 34.2684 173.7747 2 Q 4.7047 8.2214 124.8902 52.7321 32.8257 171.9817 3 I 4.5278 9.2566 120.2472 59.0031 42.1165 173.3465 4 F 5.3945 9.3053 120.1532 55.6462 42.3223 174.9462 5 V 4.8419 9.2489 122.4100 61.0293 34.1275 174.1119 6 K 4.7471 9.5750 130.7905 55.7281 33.5592 175.4026 7 T 4.4564 7.7975 117.4834 59.9386 70.3443 173.6545 8 L 3.6921 8.9510 122.9988 58.9973 42.3928 178.4130 9 T 3.8675 7.7180 117.0117 64.6224 68.9537 174.8906 10 G 3.8822 7.8785 108.2071 45.4164 0.0000 171.5079 11 K 4.0744 7.9678 118.4679 55.7185 32.2780 174.8393 12 T 4.7009 8.0979 120.6453 61.8028 69.7750 173.4336 13 I 4.1071 8.3838 128.0555 61.2104 38.5718 175.2080 14 T 4.9461 8.5866 123.2822 61.8362 70.5251 173.6440 15 L 4.7065 8.5748 126.2921 52.8245 44.6539 174.9749 16 E 4.7887 8.6613 124.4259 55.2294 30.6631 175.2344 17 V 4.6616 8.5801 119.3657 60.2814 36.7652 173.9489 18 E 4.7819 9.6593 120.7927 54.0090 31.6864 176.3135 19 P 4.2077 0.0000 0.0000 65.8904 31.6469 177.8640 20 S 4.6136 7.8684 112.6515 58.2263 62.9114 173.6244 21 D 4.4493 7.7614 122.3771 54.4255 41.2010 176.5104 22 T 4.6273 8.2628 113.6296 61.0197 70.1376 175.7068 23 I 3.7606 8.4241 123.6359 64.4759 36.9575 178.7878 24 E 4.0056 8.1390 119.3258 59.3290 29.4607 178.8119 25 N 4.3251 8.0446 116.6235 56.1993 38.5078 177.6207 26 V 3.5593 7.6897 119.0948 66.0406 31.6973 177.9329 27 K 3.8594 8.0481 117.9729 59.6013 31.5034 179.1411 28 A 4.0196 7.9487 120.8474 54.7948 18.3555 179.9314 29 K 3.9592 7.8405 116.9145 59.5911 31.8608 179.6193 30 I 3.7023 8.0141 120.3874 64.4105 36.9748 177.9937 31 Q 4.1712 8.2464 120.4538 59.5514 28.5063 178.5870 32 D 4.3198 7.5874 118.3559 57.4245 40.9948 178.5969 33 K 4.2311 7.8218 117.1788 58.1842 32.0342 177.7504 34 E 4.5215 9.2557 117.1600 54.9791 30.3394 176.2732 35 G 4.0048 8.0993 106.2395 46.1384 0.0000 173.1326 36 I 4.3076 7.0982 118.4516 58.3614 38.5609 174.3678 37 P 4.3614 0.0000 0.0000 62.1856 31.7813 175.8383 38 P 4.4065 0.0000 0.0000 65.1442 31.6146 178.5014 39 D 4.3657 8.0842 117.5458 56.8672 41.0498 176.9198 40 Q 4.6049 8.1014 116.1731 55.8001 28.9067 174.5103 41 Q 4.8830 7.4212 117.5526 54.4462 30.9998 175.5780 42 R 4.4679 8.3694 121.5636 55.0598 33.5225 173.4076 43 L 5.0729 8.5684 126.7492 53.3276 43.8460 175.4677 44 I 4.9331 8.8984 124.6749 59.4237 40.0438 174.3151 45 F 4.9563 9.1033 129.3744 56.0826 41.5166 174.8930 46 A 3.3673 9.0002 131.5939 53.1565 15.6269 177.7930 47 G 4.1185 8.1505 111.2192 45.8140 0.0000 174.0984 48 K 4.2093 7.5858 119.7439 55.8618 33.0266 174.7063 49 Q 4.9664 8.3092 124.4074 54.6425 30.1707 175.1836 50 L 4.0789 8.4763 126.5522 54.2052 43.3666 175.9629 51 E 4.6742 8.3373 120.2780 55.7332 32.0347 178.0070 52 D 4.3515 8.6744 124.9783 57.3706 41.5385 178.7084 53 G 3.7271 8.0891 106.9368 48.3816 0.0000 174.5229 54 R 4.2457 8.0167 119.0100 55.9833 30.9229 176.1322 55 T 4.9222 8.1531 110.6544 59.8356 70.9798 175.6643 56 L 3.9914 8.6866 122.8754 58.1138 41.9286 180.3586 57 S 4.3036 7.9199 112.6379 60.8991 63.4454 176.1751 58 D 4.2214 8.0418 120.6879 57.2631 40.5223 176.7003 59 Y 4.3727 7.9681 113.6306 57.0041 38.2397 174.5876 60 N 4.1274 7.9945 117.7000 54.6052 37.8470 174.6427 61 I 3.9801 8.0184 118.3009 59.9624 38.2334 175.8893 62 Q 4.6376 8.1483 127.4165 54.1491 30.9446 175.5218 63 K 4.2241 8.3158 117.2760 58.0498 33.4745 176.1823 64 E 4.1966 9.0252 117.2834 57.5749 27.7968 174.6601 65 S 5.0299 7.3852 113.7504 57.4852 65.4546 173.2729 66 T 5.2145 8.6832 119.5321 62.0286 70.3362 173.7039 67 L 4.9646 9.0159 126.6439 53.3122 44.7718 175.1802 68 H 4.9858 9.8463 122.0976 54.7229 30.1693 174.1062 69 L 4.7615 9.1086 127.3965 54.4057 42.6689 176.1628 70 V 4.3956 9.0902 125.9716 60.8453 34.4667 174.6358 71 L 4.3767 8.8032 127.9889 55.2595 42.5253 177.0938 72 R 4.4973 8.7871 122.4278 54.8266 31.8398 174.3036 73 L 4.8810 8.0112 125.1820 52.8124 45.5069 175.6352 74 R 4.3706 7.4457 113.9250 55.8962 31.1897 174.8688 75 G 3.7606 8.5835 106.7614 46.6828 0.0000 173.0593 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 8.16 4.46 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 2 Q 8.22 4.70 0.00 2.07 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 1.95 2.37 0.00 3 I 9.26 4.53 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.81 0.00 0.00 4 F 9.31 5.39 0.00 2.94 2.90 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 0.00 0.00 0.00 5 V 9.25 4.84 2.12 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 1.02 0.00 0.00 0.94 0.00 0.00 6 K 9.58 4.75 0.00 2.09 1.84 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.48 7.81 7 T 7.80 4.46 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 8 L 8.95 3.69 0.00 1.60 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.72 3.87 4.24 0.00 0.00 0.00 0.00 0.00 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 10 G 7.88 3.88 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 0.00 0.00 0.00 11 K 7.97 4.07 0.00 1.83 2.08 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.29 7.81 12 T 8.10 4.70 4.24 0.00 0.00 0.00 0.00 0.00 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 13 I 8.38 4.11 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.93 0.00 0.00 14 T 8.59 4.95 4.28 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 1.09 0.00 0.00 15 L 8.57 4.71 0.00 1.51 1.49 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.79 0.00 1.91 1.81 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 2.20 2.35 0.00 17 V 8.58 4.66 2.17 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 0.68 0.00 0.00 0.85 0.00 0.00 18 E 9.66 4.78 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 19 P 0.00 4.21 0.00 2.19 2.28 0.00 3.66 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 2.05 1.97 0.00 20 S 7.87 4.61 0.00 3.87 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 21 D 7.76 4.45 0.00 3.04 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 22 T 8.26 4.63 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 1.22 0.00 0.00 23 I 8.42 3.76 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.86 0.88 0.00 0.00 24 E 8.14 4.01 0.00 2.01 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 2.54 2.58 0.00 25 N 8.04 4.33 0.00 3.16 2.96 0.00 0.00 6.64 7.70 0.00 0.00 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 7.69 3.56 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.89 0.00 0.00 27 K 8.05 3.86 0.00 2.05 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.68 7.81 28 A 7.95 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.84 3.96 0.00 2.05 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 8.01 3.70 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.95 0.00 0.00 31 Q 8.25 4.17 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 32 D 7.59 4.32 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.23 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 E 9.26 4.52 0.00 1.86 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 2.36 0.00 35 G 8.10 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 0.00 0.00 0.00 36 I 7.10 4.31 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.17 1.98 0.00 3.60 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 2.11 2.12 0.00 38 P 0.00 4.41 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 39 D 8.08 4.37 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 4.60 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.42 4.88 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 42 R 8.37 4.47 0.00 1.87 1.97 0.00 3.21 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 43 L 8.57 5.07 0.00 1.58 1.52 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.90 4.93 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 1.01 0.00 0.00 45 F 9.10 4.96 0.00 2.75 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 46 A 9.00 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.15 4.12 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 0.00 0.00 0.00 48 K 7.59 4.21 0.00 1.87 1.85 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.43 7.81 49 Q 8.31 4.97 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 50 L 8.48 4.08 0.00 1.37 1.10 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.34 4.67 0.00 2.03 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 2.29 2.47 0.00 52 D 8.67 4.35 0.00 2.68 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 53 G 8.09 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 4.25 0.00 2.19 1.83 0.00 3.00 0.00 0.00 2.77 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 55 T 8.15 4.92 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 1.25 0.00 0.00 56 L 8.69 3.99 0.00 1.91 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.92 4.30 0.00 3.99 4.10 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 58 D 8.04 4.22 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 4.37 0.00 2.93 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 60 N 7.99 4.13 0.00 2.84 2.97 0.00 0.00 7.03 7.81 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 61 I 8.02 3.98 1.72 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 0.46 0.00 0.00 62 Q 8.15 4.64 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 63 K 8.32 4.22 0.00 1.96 1.89 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 64 E 9.03 4.20 0.00 2.16 2.27 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 2.35 2.25 0.00 65 S 7.39 5.03 0.00 3.58 3.94 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 66 T 8.68 5.21 4.28 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 1.24 0.00 0.00 67 L 9.02 4.96 0.00 1.60 1.56 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.85 4.99 0.00 2.93 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.11 4.76 0.00 1.62 1.81 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.09 4.40 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.80 4.38 0.00 1.55 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.79 4.50 0.00 1.76 1.81 0.00 3.20 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.01 4.88 0.00 1.62 1.54 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.45 4.37 0.00 1.85 1.85 0.00 3.13 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 75 G 8.58 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