NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7752 8.3544 109.7352 45.7469 0.0000 174.6516 2 S 4.2819 8.6178 121.8385 55.9079 62.3237 172.3458 3 S 4.2837 8.7460 123.1272 59.0282 65.2512 173.5597 4 G 4.1460 9.1592 117.6127 46.2240 0.0000 170.6124 5 S 4.4376 8.0423 117.2719 56.4858 64.9478 173.3186 6 S 4.6663 8.4235 121.5070 55.6208 65.4432 173.7405 7 G 3.7121 8.4946 109.6753 46.4960 0.0000 172.1926 8 N 4.5042 8.4835 124.1855 54.9527 40.0775 174.3290 9 T 3.8933 7.8906 115.9184 63.8148 66.4244 172.6265 10 A 4.7797 8.0566 128.3551 49.2312 22.1383 175.3304 11 P 4.3890 0.0000 0.0000 64.9630 31.7529 175.9953 12 S 4.7461 7.3607 112.6060 57.1814 67.1033 174.2627 13 L 4.6735 8.1125 121.1419 52.6353 40.9523 175.4134 14 T 4.5419 7.5271 110.9443 60.5211 72.0489 173.6548 15 V 4.2402 7.9876 121.1703 60.1894 33.0201 173.4393 16 P 4.5856 0.0000 0.0000 62.7091 33.1722 174.6212 17 E 4.8304 8.5003 120.9703 55.3605 30.0284 174.1058 18 C 4.8894 8.3818 120.9733 57.1721 34.4791 173.6700 19 A 4.9957 8.8434 125.7047 52.1157 19.2764 177.3399 20 I 4.8411 8.1870 120.1453 63.8091 39.6871 176.3957 21 C 4.6137 8.2141 111.7220 57.1129 31.2776 172.9229 22 L 3.7644 7.9886 117.7150 54.8710 38.1168 173.5605 23 Q 4.5772 7.8058 113.7763 55.3761 31.2733 173.4259 24 T 3.8255 8.3920 114.3983 63.7567 68.5798 173.4820 25 C 4.3631 8.7548 127.7955 58.6299 30.6859 173.0678 26 V 3.7259 8.5519 127.8529 64.6513 31.0063 176.0224 27 H 4.8217 7.9338 117.8002 52.5842 31.2659 170.1420 28 P 4.9313 0.0000 0.0000 62.7401 31.8968 176.1534 29 V 4.5635 8.7536 126.0922 59.4913 33.7013 175.2639 30 S 4.8312 8.9087 121.0691 57.8805 63.1135 174.2150 31 L 4.3954 8.8768 126.2643 53.7270 42.0813 176.6152 32 P 4.5520 0.0000 0.0000 64.1927 31.1554 176.4535 33 C 4.5051 7.8960 112.4599 57.6877 30.3924 173.1586 34 K 3.7352 8.2288 117.3807 57.7868 28.6493 173.8778 35 H 5.0368 7.5696 114.5016 54.5104 34.4733 173.7476 36 V 4.9201 7.0912 117.5801 60.6118 34.2342 174.1720 37 F 5.0236 8.4813 124.2245 56.0349 44.3269 173.3879 38 C 4.6822 8.8838 118.1881 59.9702 28.3772 174.4658 39 Y 4.2099 9.1285 126.9674 60.7550 38.9287 178.4384 40 L 4.0604 8.0505 118.9731 57.4255 41.9077 178.6225 41 C 4.1539 8.1190 115.6912 62.0806 28.0298 175.6011 42 V 3.7002 7.4583 118.8491 64.8343 31.6245 177.5829 43 K 4.2336 7.6148 117.8461 56.7817 32.7329 176.7817 44 G 4.6657 6.6446 120.1568 45.7282 0.0000 171.5399 45 A 4.4804 7.2254 130.8464 50.1201 21.1016 177.2766 46 S 4.3510 8.7239 112.0063 60.7004 63.1422 175.4142 47 W 4.8979 7.9661 116.4754 55.4136 28.1486 174.9551 48 L 4.4488 7.4806 117.3279 53.9778 44.8244 176.2543 49 G 4.0677 7.7879 110.4895 44.7116 0.0000 172.2124 50 K 3.7102 8.0713 130.3385 56.5746 29.8791 175.6930 51 R 4.3504 7.3121 113.1538 54.9688 34.4564 175.0684 52 C 3.5969 7.7910 121.8979 59.7338 31.9733 173.6873 53 A 4.3535 7.4003 122.9736 52.1477 20.4519 178.0384 54 L 4.3770 7.8751 115.1291 56.8899 42.2532 177.4540 55 C 4.6215 7.9024 109.1230 56.9985 30.9751 173.5917 56 R 4.2563 7.8511 117.3366 56.4084 27.3335 175.8656 57 Q 4.0756 7.9131 119.5120 55.5851 30.1301 174.4319 58 E 3.8569 8.8510 127.5709 57.3229 30.0221 175.9723 59 I 4.3894 7.5969 127.3719 58.8209 38.8346 174.1853 60 P 4.4237 0.0000 0.0000 62.3602 32.1852 177.1667 61 E 4.1782 8.9686 120.9416 59.7309 29.6207 179.1847 62 D 5.0358 8.0563 116.7226 56.5174 41.3075 177.1598 63 F 4.1357 8.5762 121.6209 61.1259 39.4750 176.0332 64 L 4.4221 8.2069 117.5985 56.7874 42.4686 177.1108 65 D 4.6722 8.1370 122.4266 52.6727 39.5202 174.1248 66 S 4.8111 8.2758 116.9861 57.0020 64.8940 174.3803 67 G 4.1663 8.8199 113.1344 44.9391 0.0000 171.3402 68 P 4.4147 0.0000 0.0000 62.1284 32.1851 176.4453 69 S 4.1175 8.4533 115.1403 61.1956 62.3996 174.2097 70 S 4.7006 7.8751 113.0158 56.3028 63.8474 173.8683 71 G 3.7551 8.5951 115.0549 45.8017 0.0000 173.3261 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 G 8.35 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.62 4.28 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.75 4.28 0.00 3.79 3.67 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 4 G 9.16 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 0.00 0.00 0.00 5 S 8.04 4.44 0.00 3.75 3.68 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 6 S 8.42 4.67 0.00 3.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.49 3.71 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 0.00 0.00 0.00 8 N 8.48 4.50 0.00 2.67 2.82 0.00 0.00 7.23 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 9 T 7.89 3.89 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 A 8.06 4.78 1.27 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 0.00 0.00 11 P 0.00 4.39 0.00 2.19 2.19 0.00 3.71 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 1.98 1.98 0.00 12 S 7.36 4.75 0.00 3.84 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 13 L 8.11 4.67 0.00 1.56 1.57 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.53 4.54 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 15 V 7.99 4.24 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 0.86 0.00 0.00 0.92 0.00 0.00 16 P 0.00 4.59 0.00 2.11 2.17 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 17 E 8.50 4.83 0.00 2.00 1.89 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 2.25 2.31 0.00 18 C 8.38 4.89 0.00 3.17 2.89 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 19 A 8.84 5.00 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 20 I 8.19 4.84 1.97 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.86 0.00 0.00 21 C 8.21 4.61 0.00 3.13 3.13 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 0.00 0.00 0.00 0.00 22 L 7.99 3.76 0.00 1.86 1.86 0.92 0.88 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 23 Q 7.81 4.58 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 24 T 8.39 3.83 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 25 C 8.75 4.36 0.00 3.06 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 26 V 8.55 3.73 2.14 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 1.01 0.00 0.00 0.97 0.00 0.00 27 H 7.93 4.82 0.00 3.27 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.93 0.00 2.09 2.11 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 29 V 8.75 4.56 2.39 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 1.19 0.00 0.00 1.41 0.00 0.00 30 S 8.91 4.83 0.00 3.96 4.02 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 0.00 0.00 0.00 0.00 31 L 8.88 4.40 0.00 1.93 1.66 0.88 0.29 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 32 P 0.00 4.55 0.00 2.22 2.28 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 33 C 7.90 4.51 0.00 3.12 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 34 K 8.23 3.74 0.00 1.86 1.95 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.52 7.81 35 H 7.57 5.04 0.00 3.30 2.87 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.09 4.92 1.86 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 1.15 0.00 0.00 0.87 0.00 0.00 37 F 8.48 5.02 0.00 2.95 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 38 C 8.88 4.68 0.00 3.15 2.98 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 39 Y 9.13 4.21 0.00 3.07 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 40 L 8.05 4.06 0.00 1.77 1.69 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.12 4.15 0.00 3.10 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 42 V 7.46 3.70 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 0.74 0.00 0.00 0.95 0.00 0.00 43 K 7.61 4.23 0.00 1.61 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.32 7.81 44 G 6.64 4.67 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 0.00 45 A 7.23 4.48 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.35 0.00 4.09 4.09 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 0.00 0.00 0.00 0.00 47 W 7.97 4.90 0.00 3.55 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 48 L 7.48 4.45 0.00 1.19 1.12 -1.29 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.79 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 0.00 0.00 0.00 50 K 8.07 3.71 0.00 1.85 1.77 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.32 7.81 51 R 7.31 4.35 0.00 1.59 1.63 0.00 3.16 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 52 C 7.79 3.60 0.00 2.91 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 53 A 7.40 4.35 0.89 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 54 L 7.88 4.38 0.00 1.70 1.68 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.90 4.62 0.00 3.10 3.15 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 56 R 7.85 4.26 0.00 1.94 2.01 0.00 3.27 0.00 0.00 3.82 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 57 Q 7.91 4.08 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 58 E 8.85 3.86 0.00 1.98 1.86 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 2.26 2.33 0.00 59 I 7.60 4.39 1.66 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.63 0.35 0.00 0.00 60 P 0.00 4.42 0.00 2.28 2.21 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 61 E 8.97 4.18 0.00 2.07 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 0.00 2.40 2.35 0.00 62 D 8.06 5.04 0.00 2.71 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 63 F 8.58 4.14 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.21 4.42 0.00 1.74 1.78 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.14 4.67 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.81 0.00 3.91 3.68 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 67 G 8.82 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 0.00 0.00 0.00 68 P 0.00 4.41 0.00 2.19 2.06 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 69 S 8.45 4.12 0.00 3.85 3.96 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 70 S 7.88 4.70 0.00 3.85 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 71 G 8.60 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