NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2768 8.1227 123.5684 52.3685 21.5068 178.5380 1 M 3.8513 7.7856 112.4584 57.9446 32.4891 175.5081 2 E 3.4443 8.6543 119.5167 59.2337 29.9558 178.5350 3 E 3.9367 8.1803 117.9028 59.3826 29.5749 179.1340 4 A 4.0146 8.0084 120.6771 55.2333 18.3608 179.8019 5 I 3.8885 8.1105 118.4116 64.5559 37.1940 178.3589 6 N 4.4255 8.6578 117.4356 56.3739 38.3387 177.1988 7 A 4.2193 8.2723 122.1742 55.5498 18.3715 179.8849 8 T 3.8482 8.0654 114.1278 66.7680 68.5853 176.8202 9 I 3.9094 8.1357 122.0330 64.8304 37.2865 178.4500 10 Q 4.0308 8.6110 119.0204 58.8412 28.2774 178.9369 11 R 3.8600 8.1317 119.0759 59.5831 30.2654 178.3078 12 I 3.8535 7.7625 118.2854 64.2088 37.2578 177.7919 13 L 4.0357 7.8360 116.7263 54.0082 42.6452 176.6323 14 R 3.7770 7.6462 117.2844 57.5658 28.0035 175.3816 15 T 4.6923 7.4770 109.2041 60.4862 71.0101 172.5164 16 D 4.8846 8.4704 123.3429 52.6170 40.1061 176.7119 17 R 4.0344 7.8779 117.0419 56.1229 29.8621 176.8824 18 G 3.7373 8.5444 109.1175 45.8176 0.0000 172.7430 19 I 4.7538 8.2758 123.5142 59.4083 39.5207 175.2792 20 T 4.7766 9.0990 114.5199 59.3310 71.8291 174.9403 21 A 3.8529 8.6183 125.5121 54.9680 18.5846 179.3293 22 N 4.4176 8.0009 111.6021 54.5227 38.1492 175.5527 23 Q 4.1780 7.9740 120.4257 55.6703 29.2977 175.5778 24 V 4.1295 9.1074 124.0977 62.3421 32.3339 176.4883 25 L 3.9953 8.8801 128.4012 58.1692 41.7881 179.6306 26 V 4.0251 7.5241 117.2579 65.4262 32.0232 177.6650 27 D 4.4162 8.0652 119.1548 57.1080 41.1394 177.4546 28 D 4.6053 8.4055 117.8366 55.9347 41.4297 177.4574 29 L 4.4140 7.9813 115.7335 54.0364 42.6829 176.8539 30 G 3.8659 8.1080 106.3464 46.1676 0.0000 174.0175 31 F 4.0238 8.4606 118.5881 57.1972 39.5649 174.5321 32 D 5.2083 8.3409 122.8751 50.8992 42.6037 176.5797 33 S 4.1753 8.6666 113.0085 61.6057 62.6969 176.0122 34 L 4.0288 7.9236 123.4288 58.0724 41.9128 179.0865 35 K 4.3097 8.8191 118.5269 59.2902 31.9437 179.4851 36 L 4.0571 8.5330 119.8959 57.6010 41.5096 179.1417 37 F 4.1409 8.5081 120.7014 61.3660 39.3409 177.1113 38 Q 3.9626 8.5339 117.7801 58.8558 28.5727 178.5986 39 L 3.9840 8.2108 121.4036 58.2740 42.0678 179.0471 40 I 3.6415 7.6870 119.7496 64.5934 36.9962 178.6301 41 T 3.6693 7.4768 110.5334 64.6154 68.5912 175.9294 42 E 3.8629 8.4430 122.8583 59.1305 29.5233 178.9607 43 L 4.2459 8.0268 118.7289 57.8005 41.6717 179.2269 44 E 3.9362 8.4261 118.8680 59.6490 29.1757 179.2877 45 D 4.3062 8.0938 117.9108 57.1766 40.9647 178.1238 46 E 3.9081 8.5098 119.3463 58.6219 29.7764 177.9775 47 F 4.5992 8.3088 114.5136 55.9373 40.6377 174.8504 48 D 4.2964 8.0861 117.4327 55.5554 39.1822 170.9114 49 I 3.3597 7.3849 110.5009 58.3382 40.8943 174.6336 50 A 4.7289 6.6099 121.4677 50.2908 21.6530 175.3497 51 I 4.6773 8.8423 123.3046 58.8971 40.0204 176.7934 52 S 4.4662 8.5221 119.8670 58.0293 65.1164 175.1102 53 F 4.1324 8.8177 124.7381 61.4627 39.1751 177.3655 54 R 3.8150 8.0802 117.8242 59.5856 29.7503 178.1009 55 D 4.2897 7.9794 117.0774 57.2420 41.1572 178.1704 56 A 4.0213 8.1117 121.4311 55.2047 18.1020 179.3236 57 Q 3.6713 7.6954 115.7275 59.3837 28.9615 179.0842 58 N 4.6180 7.4591 113.3118 53.0978 38.9901 175.5566 59 I 3.8467 6.8869 122.3586 61.1981 37.7533 175.3879 60 K 4.3226 9.7884 124.7186 57.1310 34.5790 176.3904 61 T 4.9551 7.5542 106.9932 59.2089 71.6780 175.0489 62 V 3.3792 8.5451 121.9952 66.2416 31.2809 178.2657 63 G 3.5269 7.9293 105.3514 48.0219 0.0000 175.3032 64 D 4.3534 7.7520 120.5096 56.9601 40.8008 178.9823 65 V 3.5332 7.5127 118.2890 66.2061 31.5960 177.3813 66 Y 4.3415 7.8569 116.6729 61.5677 37.6216 178.9291 67 T 4.2597 8.1549 110.2483 64.5019 68.8036 177.0782 68 S 4.1719 8.0028 117.7671 61.3781 63.0858 176.3325 69 V 3.8005 7.9060 120.7386 65.7768 31.3650 177.7987 70 A 4.1446 8.5491 120.9474 55.4945 17.8777 179.9661 71 V 3.6213 7.5090 109.9233 63.7760 31.6296 177.8274 72 W 4.1171 8.1708 116.6740 57.1571 29.1860 176.3176 73 F 4.5116 7.9802 123.0250 57.6494 39.4701 174.4001 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 0 A 8.12 4.28 1.24 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 0.00 0.00 0.00 1 M 7.79 3.85 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 2 E 8.65 3.44 0.00 1.74 1.48 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 1.47 1.82 0.00 3 E 8.18 3.94 0.00 2.12 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 2.39 2.35 0.00 4 A 8.01 4.01 1.51 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 5 I 8.11 3.89 2.20 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 1.14 0.00 0.00 6 N 8.66 4.43 0.00 2.96 2.95 0.00 0.00 6.91 8.48 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 7 A 8.27 4.22 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 3.85 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 I 8.14 3.91 2.16 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 1.72 1.18 1.12 0.00 0.00 10 Q 8.61 4.03 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 11 R 8.13 3.86 0.00 2.03 2.09 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 12 I 7.76 3.85 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 0.97 0.00 0.00 13 L 7.84 4.04 0.00 1.53 1.56 0.88 -0.11 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 14 R 7.65 3.78 0.00 1.93 1.94 0.00 3.08 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 15 T 7.48 4.69 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 1.20 0.00 0.00 16 D 8.47 4.88 0.00 2.80 2.72 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 0.00 0.00 0.00 0.00 17 R 7.88 4.03 0.00 1.96 1.99 0.00 3.07 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 18 G 8.54 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 19 I 8.28 4.75 2.07 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 1.53 1.04 1.05 0.00 0.00 20 T 9.10 4.78 4.31 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 1.25 0.00 0.00 21 A 8.62 3.85 1.36 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 22 N 8.00 4.42 0.00 2.83 2.95 0.00 0.00 6.07 7.39 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 23 Q 7.97 4.18 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 24 V 9.11 4.13 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 1.14 0.00 0.00 0.96 0.00 0.00 25 L 8.88 4.00 0.00 1.60 1.35 0.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.52 4.03 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 1.21 0.00 0.00 0.98 0.00 0.00 27 D 8.07 4.42 0.00 2.70 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 28 D 8.41 4.61 0.00 2.86 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 29 L 7.98 4.41 0.00 2.09 1.82 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.11 3.87 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 0.00 0.00 0.00 31 F 8.46 4.02 0.00 3.17 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 32 D 8.34 5.21 0.00 2.89 2.81 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 0.00 0.00 0.00 33 S 8.67 4.18 0.00 4.13 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 0.00 34 L 7.92 4.03 0.00 1.81 1.90 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.82 4.31 0.00 1.96 1.77 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.60 7.81 36 L 8.53 4.06 0.00 1.94 1.73 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.51 4.14 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.53 3.96 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 39 L 8.21 3.98 0.00 2.01 1.83 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.69 3.64 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.76 0.85 0.00 0.00 41 T 7.48 3.67 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 0.49 0.00 0.00 42 E 8.44 3.86 0.00 2.11 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 2.32 2.35 0.00 43 L 8.03 4.25 0.00 1.92 1.82 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.43 3.94 0.00 2.08 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 2.29 2.51 0.00 45 D 8.09 4.31 0.00 2.72 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 46 E 8.51 3.91 0.00 1.87 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 1.47 1.97 0.00 47 F 8.31 4.60 0.00 3.20 3.26 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 0.00 48 D 8.09 4.30 0.00 2.76 2.67 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 49 I 7.38 3.36 0.56 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 1.01 0.42 0.44 0.00 0.00 50 A 6.61 4.73 1.26 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 0.00 0.00 0.00 51 I 8.84 4.68 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.93 0.00 0.00 52 S 8.52 4.47 0.00 4.13 4.07 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 53 F 8.82 4.13 0.00 3.11 3.19 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 54 R 8.08 3.81 0.00 2.00 1.95 0.00 3.26 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 55 D 7.98 4.29 0.00 2.71 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 56 A 8.11 4.02 1.24 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 0.00 0.00 0.00 57 Q 7.70 3.67 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.08 1.50 0.00 58 N 7.46 4.62 0.00 2.76 2.81 0.00 0.00 7.14 8.38 0.00 0.00 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 I 6.89 3.85 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.76 0.00 0.00 60 K 9.79 4.32 0.00 1.75 1.74 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 61 T 7.55 4.96 4.36 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 1.16 0.00 0.00 62 V 8.55 3.38 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 0.30 0.00 0.00 0.92 0.00 0.00 63 G 7.93 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.75 4.35 0.00 2.82 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 65 V 7.51 3.53 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 1.07 0.00 0.00 0.75 0.00 0.00 66 Y 7.86 4.34 0.00 3.18 2.80 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 0.00 0.00 0.00 67 T 8.15 4.26 4.27 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 1.28 0.00 0.00 68 S 8.00 4.17 0.00 4.10 4.01 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 69 V 7.91 3.80 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 0.35 0.00 0.00 0.83 0.00 0.00 70 A 8.55 4.14 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 71 V 7.51 3.62 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 0.80 0.00 0.00 0.92 0.00 0.00 72 W 8.17 4.12 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.98 4.51 0.00 3.05 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