NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3344 8.1927 115.3951 57.7966 64.5870 173.7988 2 I 3.4840 7.9992 118.7907 62.3875 37.5780 176.3449 3 S 4.1825 7.8276 115.3350 61.4519 63.3237 176.1056 4 S 4.1555 7.9062 117.5965 61.1425 63.1039 176.5148 5 R 3.9497 7.9864 121.7164 58.7138 29.6032 179.2945 6 V 3.6866 8.0862 118.4868 65.7013 31.6036 177.9700 7 K 3.9052 7.9625 119.2339 59.6267 31.9624 178.3956 8 S 4.1514 8.2254 113.3980 61.6595 62.2530 176.4738 9 K 4.0851 8.1507 120.6769 59.3370 31.8442 179.5986 10 R 3.9955 8.2968 116.5979 59.3601 29.2571 179.0489 11 I 3.7192 7.9012 120.5203 64.2403 36.9035 178.1912 12 Q 4.0257 7.7772 119.2256 58.5893 28.9447 177.3940 13 L 4.4051 7.6102 117.4159 53.8433 42.3831 176.3929 14 G 3.8022 7.9341 106.8032 46.8405 0.0000 173.5297 15 L 4.8910 8.2020 119.0358 52.5543 44.2977 177.2046 16 N 4.8321 8.8368 121.0444 51.5713 40.6873 176.3124 17 Q 4.0032 8.4585 118.3936 59.0177 28.7420 178.9430 18 A 4.0032 7.9845 121.4052 55.1589 18.6259 179.4092 19 E 3.9203 8.2958 116.7253 59.3818 29.5446 179.3545 20 L 3.9472 7.9098 119.9255 57.8060 42.1544 178.7762 21 A 3.8425 8.0213 120.7521 55.4458 18.1607 179.7228 22 Q 4.0373 7.6913 114.7691 58.9781 28.7790 178.9436 23 K 4.1084 7.7113 118.6127 59.2731 32.1565 179.2033 24 V 3.7834 7.6892 117.8316 63.3403 31.6593 176.3279 25 G 3.7187 8.8098 106.0070 46.6309 0.0000 172.1513 26 T 4.5891 7.3088 113.9279 59.7252 70.4569 172.5762 27 T 4.3613 7.9285 110.7227 60.6459 70.4948 175.4365 28 Q 3.9754 8.5932 123.3524 59.4946 29.1110 178.2642 29 Q 3.9998 8.0971 120.0642 59.3980 28.9691 178.4360 30 S 4.2589 7.9603 116.2563 61.5974 62.8604 176.7331 31 I 3.8174 7.4723 121.2760 64.3236 36.9483 178.3241 32 E 3.9922 8.1727 119.4213 59.6589 29.3495 179.5245 33 Q 4.0621 8.2397 118.0238 58.7144 28.5294 178.5576 34 L 4.2635 7.8733 121.3077 58.0779 41.9896 178.5993 35 E 4.1426 8.2326 117.0739 58.1141 29.4831 177.7842 36 N 4.8904 7.7644 114.6543 51.9899 38.9365 174.9737 37 G 3.9725 7.5436 107.6002 46.5541 0.0000 175.6072 38 K 4.1901 8.5901 121.8734 57.6866 32.4682 177.6975 39 T 4.6078 7.6945 107.8832 59.7374 71.0286 173.5326 40 K 4.4184 8.7010 123.8366 56.6080 34.4843 176.6935 41 R 4.5254 7.4194 116.2595 53.4406 30.4274 172.5643 42 P 4.1522 0.0000 0.0000 62.0966 32.2458 177.8017 43 R 3.9848 7.9465 115.6513 58.5480 29.8941 177.1782 44 F 5.1445 6.9245 114.0163 57.1344 39.4667 178.0543 45 L 3.9908 7.8325 121.3236 58.6801 41.4592 176.9751 46 P 4.3081 0.0000 0.0000 65.6786 31.3133 178.5531 47 E 4.0910 8.2399 116.9639 58.9874 29.3864 178.9659 48 L 4.0377 8.0892 120.5603 58.0028 42.2225 178.7935 49 A 4.0890 8.2698 120.8762 55.2365 18.2077 179.6052 50 S 4.0414 7.9977 111.3440 61.5598 62.3097 176.3080 51 A 4.0421 7.9253 122.1943 54.4213 18.2001 178.6255 52 L 4.4149 7.7488 115.0383 53.7887 42.4754 176.6504 53 G 3.8881 7.7861 107.0822 46.7504 0.0000 173.4987 54 V 4.4564 8.1638 111.3760 58.4140 35.7781 176.1473 55 S 4.6638 8.2577 115.6917 57.7576 65.6867 175.3242 56 V 3.6929 8.2079 121.5513 65.9490 31.3364 177.7753 57 D 4.3439 8.1575 118.3412 57.1669 40.7440 178.2307 58 W 4.1985 8.2803 128.5479 60.5794 30.4533 177.6336 59 L 3.6198 7.5129 116.9239 57.9674 41.2206 179.4383 60 L 4.0446 7.6105 116.9499 57.3558 41.7127 178.4045 61 N 4.7460 8.5195 114.6022 52.3055 39.8667 176.1068 62 G 3.5035 8.6018 106.9944 45.6762 0.0000 173.5241 63 T 4.3137 7.5445 121.2121 63.6533 69.6088 173.7581 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 S 8.19 4.33 0.00 3.95 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 2 I 8.00 3.48 1.89 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 1.67 1.62 0.85 0.00 0.00 3 S 7.83 4.18 0.00 4.18 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 0.00 4 S 7.91 4.16 0.00 4.07 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 5 R 7.99 3.95 0.00 1.62 1.43 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 0.00 6 V 8.09 3.69 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 1.10 0.00 0.00 1.06 0.00 0.00 7 K 7.96 3.91 0.00 2.05 1.93 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 S 8.23 4.15 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.09 0.00 1.99 1.91 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.71 1.76 7.81 10 R 8.30 4.00 0.00 2.05 2.22 0.00 2.97 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 11 I 7.90 3.72 1.97 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 1.42 0.72 0.93 0.00 0.00 12 Q 7.78 4.03 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 13 L 7.61 4.41 0.00 1.88 1.69 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.93 3.80 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 0.00 0.00 0.00 15 L 8.20 4.89 0.00 1.68 1.57 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.84 4.83 0.00 2.98 2.96 0.00 0.00 6.84 7.13 0.00 0.00 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 Q 8.46 4.00 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 18 A 7.98 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.92 0.00 2.21 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 2.32 2.48 0.00 20 L 7.91 3.95 0.00 1.79 1.64 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.02 3.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.69 4.04 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 23 K 7.71 4.11 0.00 1.89 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 V 7.69 3.78 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 0.35 0.00 0.00 0.90 0.00 0.00 25 G 8.81 3.72 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 0.00 0.00 0.00 26 T 7.31 4.59 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 0.58 0.00 0.00 27 T 7.93 4.36 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 1.21 0.00 0.00 28 Q 8.59 3.98 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 29 Q 8.10 4.00 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 30 S 7.96 4.26 0.00 4.02 4.17 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 0.00 0.00 0.00 0.00 31 I 7.47 3.82 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.93 0.00 0.00 32 E 8.17 3.99 0.00 2.25 2.01 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 2.50 2.59 0.00 33 Q 8.24 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 34 L 7.87 4.26 0.00 1.81 2.03 0.93 1.58 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 35 E 8.23 4.14 0.00 2.02 2.01 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 2.37 2.57 0.00 36 N 7.76 4.89 0.00 2.72 2.82 0.00 0.00 6.94 7.13 0.00 0.00 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 G 7.54 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 38 K 8.59 4.19 0.00 1.87 1.88 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.37 7.81 39 T 7.69 4.61 4.19 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 1.21 0.00 0.00 40 K 8.70 4.42 0.00 1.70 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.39 7.81 41 R 7.42 4.53 0.00 1.66 1.74 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 42 P 0.00 4.15 0.00 0.49 1.33 0.00 3.58 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 43 R 7.95 3.98 0.00 1.91 2.06 0.00 3.21 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 44 F 6.92 5.14 0.00 3.24 3.35 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 0.00 45 L 7.83 3.99 0.00 1.67 1.75 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.31 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 47 E 8.24 4.09 0.00 2.28 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 2.44 2.47 0.00 48 L 8.09 4.04 0.00 2.23 2.02 1.03 1.31 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 49 A 8.27 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.04 0.00 3.88 3.90 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 51 A 7.93 4.04 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.75 4.41 0.00 1.74 1.80 1.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.46 2.23 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 0.38 0.00 0.00 1.16 0.00 0.00 55 S 8.26 4.66 0.00 4.12 4.04 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 56 V 8.21 3.69 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 1.08 0.00 0.00 1.02 0.00 0.00 57 D 8.16 4.34 0.00 2.80 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 58 W 8.28 4.20 0.00 3.44 3.32 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 0.00 0.00 0.00 0.00 59 L 7.51 3.62 0.00 1.89 1.70 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.61 4.04 0.00 1.60 1.67 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.52 4.75 0.00 2.68 2.81 0.00 0.00 7.20 7.60 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 62 G 8.60 3.50 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 0.00 0.00 0.00 0.00 63 T 7.54 4.31 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 1.25 0.00 0.00