NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3661 8.2893 120.3283 55.8669 33.0744 173.7581 2 I 2.7773 8.5489 118.6418 59.9696 36.8428 172.0179 3 I 2.9510 8.3468 123.3105 61.0554 38.4126 176.4530 4 P 4.1718 0.0000 0.0000 63.6060 31.3151 173.0979 5 I 2.9177 7.4742 123.9545 60.9934 39.0386 169.0488 6 R 4.1108 8.8472 134.5145 55.3351 28.4244 176.0662 7 C 4.1411 8.0764 117.4381 57.6756 30.2775 174.1728 8 F 4.7738 8.4036 119.9177 60.3806 38.9197 176.8929 9 S 4.5379 8.2097 113.5708 60.2548 64.3386 173.6301 10 C 4.6679 7.7507 121.0257 58.5242 29.0142 173.2804 11 G 3.9702 8.1961 108.0864 46.3562 0.0000 172.6667 12 K 4.1204 7.7535 119.0484 55.6978 31.3573 175.9581 13 V 3.9317 8.3900 118.8332 61.6404 31.7097 176.2389 14 I 4.4978 8.3559 115.8153 60.4010 38.2683 177.4795 15 G 3.4318 8.1230 111.7737 48.6695 0.0000 175.1853 16 D 4.5462 8.1092 118.7242 55.5715 39.8660 176.5130 17 K 4.6201 7.2632 118.3844 56.5102 32.9848 177.1024 18 W 5.0296 8.0255 128.1448 58.6660 32.6799 176.5561 19 D 4.3688 8.5625 116.7260 56.4824 38.2805 177.9196 20 T 4.2602 7.7038 108.9989 63.6430 70.0462 175.6089 21 Y 4.1534 7.9470 122.4927 60.3889 38.8348 177.5368 22 L 3.4072 7.2766 120.9819 57.6403 41.9643 177.3887 23 T 4.1451 6.9969 107.1462 61.4991 69.3944 175.1662 24 L 4.7041 7.7564 121.2594 57.6166 47.2133 178.9299 25 L 4.0548 7.3867 115.6518 56.8333 41.5845 177.7865 26 Q 4.4598 7.3487 115.0890 54.9821 31.0438 175.5228 27 E 4.7110 7.0875 114.2861 54.0821 30.9868 175.1606 28 D 5.3523 8.2084 129.6942 54.1487 43.1648 175.8816 29 N 4.7627 8.0251 113.5085 54.9575 36.3048 173.9497 30 T 4.4448 6.9842 106.3763 60.0617 70.7507 174.1225 31 E 4.3283 8.3494 122.4505 55.2244 30.8458 177.8654 32 G 3.6157 8.7445 105.7602 48.3345 0.0000 175.0683 33 E 4.0251 8.2736 120.1191 58.6760 29.5564 178.3452 34 A 4.0633 8.7651 122.1789 54.9654 18.3498 179.1031 35 L 3.8803 7.7708 117.9308 59.5381 39.9035 179.1736 36 D 4.6138 7.9625 118.6323 56.8406 40.6980 177.4263 37 K 4.4845 8.3405 117.9847 56.5155 31.8317 177.0403 38 L 4.6769 8.3318 116.6668 54.0101 43.0579 176.4522 39 G 3.7375 8.2752 105.0414 47.2520 0.0000 175.4877 40 L 4.6948 7.5649 117.2763 53.0088 41.6175 176.6343 41 Q 4.2078 7.9990 119.7061 57.9281 29.7960 177.3737 42 R 4.3193 8.0590 115.2251 56.0782 30.3098 175.5564 43 Y 3.4577 7.3423 111.1581 59.9243 38.9167 176.0887 44 C 5.0018 7.7665 129.6734 60.2736 36.8505 174.8172 45 C 4.7242 7.5322 112.5561 58.1428 31.0511 175.4680 46 R 4.1306 7.9795 116.4772 57.8527 29.7878 177.3889 47 R 4.5061 7.9874 115.5855 56.8251 29.7651 177.8127 48 M 4.0603 8.1820 119.8489 57.9843 32.5619 178.0726 49 I 3.6677 7.3901 110.0732 63.2691 38.1613 176.9552 50 L 4.1522 7.2931 122.9452 57.5313 41.9720 177.1432 51 T 4.5323 7.3154 110.3742 62.0197 67.5257 173.2649 52 H 4.8282 8.0273 118.1179 53.8727 31.5650 173.8131 53 V 4.2323 7.7850 123.7876 60.9068 33.5060 176.5374 54 D 4.6457 8.3475 127.9783 54.4272 38.7195 175.4147 55 L 4.6019 7.7324 119.0072 54.6680 41.9995 177.7140 56 I 4.3591 7.7419 122.0514 62.7032 39.2739 177.5949 57 E 4.2061 8.6322 119.6467 59.1906 29.3232 177.5202 58 K 4.3673 8.0197 114.3158 56.6396 33.0399 176.5846 59 L 4.7331 7.6466 121.1243 56.4267 43.5670 178.0408 60 L 4.1095 9.1305 118.3266 57.5508 42.2062 177.6150 61 C 4.4728 7.3726 114.5256 57.9852 28.5746 173.3068 62 Y 4.5428 6.9440 112.0146 59.0455 39.3565 175.9339 63 N 3.8823 7.4165 115.8903 50.9029 37.8638 172.7539 64 P 4.4573 0.0000 0.0000 62.8257 31.4128 176.2524 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 8.29 4.37 0.00 2.01 2.10 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 2.51 2.60 0.00 2 I 8.55 2.78 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.93 0.00 0.00 3 I 8.35 2.95 1.63 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.05 0.62 0.00 0.00 4 P 0.00 4.17 0.00 1.63 1.81 0.00 3.39 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 5 I 7.47 2.92 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.88 0.00 0.00 6 R 8.85 4.11 0.00 2.00 2.01 0.00 3.27 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 7 C 8.08 4.14 0.00 3.00 2.84 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 8 F 8.40 4.77 0.00 3.04 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 9 S 8.21 4.54 0.00 3.96 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 10 C 7.75 4.67 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.20 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 0.00 0.00 0.00 12 K 7.75 4.12 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.52 7.81 13 V 8.39 3.93 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 0.71 0.00 0.00 0.93 0.00 0.00 14 I 8.36 4.50 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.89 0.00 0.00 15 G 8.12 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.11 4.55 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.26 4.62 0.00 1.81 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 W 8.03 5.03 0.00 3.31 2.97 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 19 D 8.56 4.37 0.00 2.87 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 20 T 7.70 4.26 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 1.29 0.00 0.00 21 Y 7.95 4.15 0.00 3.31 3.04 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 22 L 7.28 3.41 0.00 0.59 1.04 0.70 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.00 4.15 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 1.13 0.00 0.00 24 L 7.76 4.70 0.00 1.44 1.53 0.90 0.64 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 25 L 7.39 4.05 0.00 1.20 1.58 0.87 0.88 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 26 Q 7.35 4.46 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.43 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 27 E 7.09 4.71 0.00 1.77 1.59 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 2.11 2.13 0.00 28 D 8.21 5.35 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.76 0.00 2.85 2.83 0.00 0.00 6.95 7.54 0.00 0.00 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 T 6.98 4.44 4.23 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 1.29 0.00 0.00 31 E 8.35 4.33 0.00 2.06 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 2.40 2.30 0.00 32 G 8.74 3.62 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 0.00 33 E 8.27 4.03 0.00 2.14 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 2.39 2.33 0.00 34 A 8.77 4.06 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 35 L 7.77 3.88 0.00 2.10 2.16 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.96 4.61 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.48 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 38 L 8.33 4.68 0.00 1.73 1.66 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.28 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.56 4.69 0.00 1.62 1.60 0.88 1.00 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 41 Q 8.00 4.21 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 42 R 8.06 4.32 0.00 1.84 1.94 0.00 3.25 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 1.68 1.68 0.00 43 Y 7.34 3.46 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 44 C 7.77 5.00 0.00 2.98 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 45 C 7.53 4.72 0.00 3.04 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 46 R 7.98 4.13 0.00 1.99 2.35 0.00 2.95 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 47 R 7.99 4.51 0.00 2.07 2.20 0.00 3.00 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 48 M 8.18 4.06 0.00 1.70 2.18 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.45 0.00 49 I 7.39 3.67 1.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.20 0.91 0.00 0.00 50 L 7.29 4.15 0.00 1.76 1.73 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.32 4.53 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 1.33 0.00 0.00 52 H 8.03 4.83 0.00 3.10 3.10 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.79 4.23 2.05 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 0.85 0.00 0.00 0.93 0.00 0.00 54 D 8.35 4.65 0.00 3.02 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 4.60 0.00 1.68 1.68 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.74 4.36 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.95 0.00 0.00 57 E 8.63 4.21 0.00 1.98 2.05 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 2.32 2.38 0.00 58 K 8.02 4.37 0.00 1.84 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 59 L 7.65 4.73 0.00 1.94 1.68 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.13 4.11 0.00 1.79 1.78 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.37 4.47 0.00 3.06 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 62 Y 6.94 4.54 0.00 2.93 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 63 N 7.42 3.88 0.00 2.75 2.78 0.00 0.00 7.09 8.02 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 64 P 0.00 4.46 0.00 2.06 1.98 0.00 3.74 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 2.11 0.00