NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9565 8.3544 108.0234 46.3711 0.0000 172.0479 2 R 4.5310 8.7079 119.8764 54.0998 32.8438 173.5450 3 D 5.1796 8.9551 126.3628 52.6153 42.6032 174.5948 4 A 4.0050 7.1791 123.9414 50.8472 23.2778 174.0927 5 Y 4.8010 8.0355 116.6334 57.1454 38.7520 176.3449 6 I 4.1397 8.3678 125.0034 61.6780 38.0705 175.2596 7 A 5.0799 8.1974 125.1097 50.6948 22.4882 176.9801 8 D 4.8608 9.0485 120.9199 52.9596 41.6489 177.0138 9 S 4.4235 8.6364 113.4730 60.8839 63.0712 174.3911 10 E 4.5394 8.3083 119.8076 56.0508 29.7100 175.1076 11 N 4.1099 7.3731 112.7582 55.0342 38.2737 172.9591 12 C 4.9128 7.8673 112.1719 54.8007 43.4525 174.6553 13 T 4.2551 8.0249 112.7323 61.7297 69.9452 172.8215 14 Y 4.5818 8.1977 118.7286 55.5931 38.7689 174.4466 15 F 4.8039 9.0426 125.4274 58.1312 39.8911 172.9352 16 C 5.0302 7.7026 119.6387 53.6615 44.0221 174.0620 17 G 3.5664 8.1240 108.3801 45.5412 0.0000 173.4029 18 S 4.8393 7.0687 113.4212 56.6727 66.2485 176.6865 19 N 4.5188 8.6538 119.2309 56.3080 38.2064 175.7565 20 P 4.2863 0.0000 0.0000 65.8021 31.6362 177.6622 21 Y 4.4299 7.6291 118.3293 61.2685 38.8704 177.8624 22 C 4.0542 7.9015 116.9540 59.4792 34.5568 175.4087 23 N 4.1913 8.3159 118.6164 55.9792 38.4142 176.5651 24 D 4.2763 7.8820 120.8900 57.1948 41.0247 178.4373 25 V 3.4225 7.3995 117.9399 66.2794 31.3142 178.7260 26 C 4.0789 7.8011 115.6281 60.3663 40.2923 176.2229 27 T 3.9318 7.5491 116.8629 66.7339 67.8752 176.3849 28 E 4.1717 8.2123 118.4534 58.0834 29.4610 177.3046 29 N 4.6314 7.2387 115.1728 52.9230 38.6865 175.9140 30 G 3.8573 8.1078 106.9996 44.6671 0.0000 173.9666 31 A 4.2864 7.6362 121.3642 52.0621 18.7495 177.9634 32 K 4.2651 8.7887 119.0886 59.2373 33.2350 177.1681 33 S 4.5946 6.8943 112.0587 59.7557 65.8611 173.6929 34 G 4.3974 8.6405 106.4327 47.3151 0.0000 171.3155 35 Y 4.9717 7.8573 117.4562 56.5014 41.9619 172.2139 36 C 4.8348 9.1604 120.1335 55.2326 44.2643 173.3359 37 Q 4.7874 9.1277 128.7419 54.0035 28.8393 174.6334 38 W 4.7706 9.4751 124.1233 55.6489 30.2712 175.2085 39 A 3.8480 8.6905 122.3103 53.5451 16.0757 176.2424 40 G 4.3821 7.5050 111.7282 44.6746 0.0000 173.8390 41 R 3.6097 8.7222 118.3976 59.1321 29.7523 177.9454 42 Y 4.7268 7.2354 113.2146 57.5160 39.3473 177.3277 43 G 3.8724 8.2382 109.5795 44.9947 0.0000 172.8461 44 N 4.7747 8.7069 118.2352 53.4592 39.5414 174.3160 45 A 4.8571 8.6775 125.2108 50.1101 23.0108 174.3874 46 C 4.8496 8.8306 118.9514 57.1820 42.8902 172.0766 47 Y 4.6733 9.2389 126.2609 55.9626 40.4507 173.5491 48 C 4.8510 8.1512 125.1980 55.9425 42.3360 173.1893 49 I 4.1615 8.5566 125.6126 59.9731 37.4488 175.5616 50 D 4.4281 8.0121 128.4940 54.7784 39.6790 174.1696 51 L 4.2058 8.0325 120.7204 54.1121 42.1455 175.3038 52 P 4.4752 0.0000 0.0000 62.8485 31.9227 177.2406 53 A 3.8549 8.3885 123.0090 55.8305 18.4106 179.1154 54 S 4.3843 7.8865 107.8798 58.7946 63.1151 173.7142 55 E 4.2346 7.7846 122.8724 54.8846 29.8108 176.2798 56 R 4.2418 8.5394 125.5936 56.8018 31.2928 175.6026 57 I 4.9355 8.0003 114.3818 58.6324 41.2876 174.5460 58 K 4.3190 8.7397 125.1405 56.4688 32.4442 175.9937 59 E 4.8051 8.7777 126.0541 53.5786 32.9203 175.8072 60 G 3.7693 8.5219 108.6596 47.9142 0.0000 174.1276 61 G 4.0026 8.7532 110.6568 45.7233 0.0000 172.9554 62 R 4.1172 7.7213 116.8225 56.8187 31.5871 177.1264 63 C 4.8557 8.0144 121.0074 56.4068 43.7892 173.7953 64 G 4.4589 9.1304 106.5730 45.6739 0.0000 172.9627 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 3.96 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 0.00 0.00 0.00 2 R 8.71 4.53 0.00 1.82 1.67 0.00 3.01 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 3 D 8.96 5.18 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.18 4.00 1.07 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 5 Y 8.04 4.80 0.00 2.98 2.77 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 6 I 8.37 4.14 1.42 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.40 0.56 0.00 0.00 7 A 8.20 5.08 1.19 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 0.00 0.00 8 D 9.05 4.86 0.00 2.84 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 9 S 8.64 4.42 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.54 0.00 1.91 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 0.00 2.23 2.33 0.00 11 N 7.37 4.11 0.00 2.79 2.78 0.00 0.00 6.89 7.53 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 12 C 7.87 4.91 0.00 3.32 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 13 T 8.02 4.26 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 14 Y 8.20 4.58 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 4.80 0.00 3.04 3.02 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 16 C 7.70 5.03 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 3.57 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 0.00 0.00 0.00 18 S 7.07 4.84 0.00 4.22 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 19 N 8.65 4.52 0.00 2.94 3.06 0.00 0.00 6.78 8.03 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 20 P 0.00 4.29 0.00 2.11 2.21 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 21 Y 7.63 4.43 0.00 3.02 3.23 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 0.00 22 C 7.90 4.05 0.00 3.08 3.11 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 0.00 0.00 0.00 0.00 23 N 8.32 4.19 0.00 2.88 2.83 0.00 0.00 7.07 8.04 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 24 D 7.88 4.28 0.00 2.84 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 25 V 7.40 3.42 1.62 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 0.49 0.00 0.00 0.78 0.00 0.00 26 C 7.80 4.08 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 27 T 7.55 3.93 4.42 0.00 0.00 0.00 0.00 0.00 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 28 E 8.21 4.17 0.00 1.88 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 2.32 2.58 0.00 29 N 7.24 4.63 0.00 2.92 2.81 0.00 0.00 7.24 7.53 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 30 G 8.11 3.86 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 0.00 0.00 0.00 31 A 7.64 4.29 1.25 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 0.00 0.00 0.00 32 K 8.79 4.27 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 33 S 6.89 4.59 0.00 3.95 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 34 G 8.64 4.40 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 0.00 35 Y 7.86 4.97 0.00 3.13 3.09 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 36 C 9.16 4.83 0.00 2.97 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 37 Q 9.13 4.79 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 38 W 9.48 4.77 0.00 3.31 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 39 A 8.69 3.85 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 40 G 7.50 4.38 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 0.00 41 R 8.72 3.61 0.00 1.59 0.95 0.00 3.03 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.46 0.00 42 Y 7.24 4.73 0.00 2.82 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 43 G 8.24 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 44 N 8.71 4.77 0.00 1.71 2.08 0.00 0.00 6.49 7.05 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 45 A 8.68 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.83 4.85 0.00 2.85 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 47 Y 9.24 4.67 0.00 2.69 1.69 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 0.00 48 C 8.15 4.85 0.00 2.67 2.79 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 49 I 8.56 4.16 2.01 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 0.96 0.00 0.00 50 D 8.01 4.43 0.00 2.82 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 51 L 8.03 4.21 0.00 1.73 1.64 0.76 0.73 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 52 P 0.00 4.48 0.00 2.20 2.19 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 53 A 8.39 3.85 1.28 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 0.00 0.00 0.00 54 S 7.89 4.38 0.00 3.85 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 55 E 7.78 4.23 0.00 1.88 1.92 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 2.18 2.22 0.00 56 R 8.54 4.24 0.00 2.02 1.84 0.00 3.28 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 57 I 8.00 4.94 1.83 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 1.21 0.65 0.89 0.00 0.00 58 K 8.74 4.32 0.00 1.72 1.86 0.00 1.48 0.00 0.00 1.23 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.53 1.15 7.81 59 E 8.78 4.81 0.00 1.97 1.84 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 2.22 2.26 0.00 60 G 8.52 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 0.00 0.00 0.00 61 G 8.75 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 62 R 7.72 4.12 0.00 2.34 2.36 0.00 3.10 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 63 C 8.01 4.86 0.00 2.84 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.13 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00