NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4160 8.1733 120.0896 56.2509 32.9566 172.6644 2 D 4.6506 7.9843 119.7398 52.1691 44.9845 173.1322 3 G 4.2583 9.0834 111.4168 45.5865 0.0000 169.7765 4 Y 5.2604 8.7062 116.9272 55.7436 41.4188 174.9048 5 L 4.9453 8.5750 118.8429 54.0602 44.2035 177.5621 6 V 4.7760 8.1079 115.5009 60.4103 34.4088 174.0373 7 E 4.6583 8.3261 118.3688 55.4301 33.6235 175.7647 8 K 3.7909 8.8379 120.8371 60.3260 32.1363 177.7412 9 T 3.9989 7.8262 107.3175 62.8714 69.1269 175.7128 10 G 4.1926 8.4444 110.7000 45.2370 0.0000 173.0459 11 C 4.4148 7.8227 117.8272 55.9481 40.8241 174.1048 12 K 3.9974 7.2723 122.6158 56.0873 32.0996 175.9594 13 K 4.3392 7.8790 118.2970 54.6893 33.5950 175.4650 14 T 4.8212 8.4656 122.7554 62.9212 69.2755 172.4251 15 C 4.6819 8.4379 118.4466 53.4815 45.7796 173.4893 16 Y 4.9073 8.0576 115.0452 57.6528 37.8552 176.4649 17 K 4.2949 7.4940 119.2127 54.5641 34.0864 176.2654 18 L 4.0868 8.0525 123.8498 54.9977 42.7865 178.6697 19 G 3.9411 8.3548 108.3547 44.8805 0.0000 171.4268 20 E 4.2378 8.7372 117.4178 56.9079 28.4347 175.3158 21 N 4.6967 8.1731 120.8066 51.4982 38.4633 174.8666 22 D 4.4803 8.7286 124.7078 57.4348 41.2407 178.1107 23 F 3.7740 8.6152 120.1345 61.8139 39.0536 177.5636 24 C 4.3881 9.3194 118.5775 59.1106 39.5763 175.1005 25 N 4.1655 7.8984 118.4113 56.7995 38.4661 177.0342 26 R 3.8030 8.2016 118.5033 58.9306 30.1305 178.3320 27 E 4.3806 7.7882 118.2091 59.2303 29.7286 177.5825 28 C 4.4790 8.6121 118.3428 58.7098 44.6020 174.4310 29 K 4.2242 8.2348 122.0101 56.5855 30.4580 175.7387 30 W 4.5597 8.1160 116.8532 57.6086 32.0181 176.8449 31 K 4.1269 8.4958 119.7839 57.6546 32.8607 176.9461 32 H 4.1531 8.9626 124.2305 55.8306 30.1468 174.0276 33 I 4.6679 7.9856 118.3543 60.3003 39.3774 177.5810 34 G 3.8482 8.5441 109.8389 48.0729 0.0000 174.5864 35 G 3.9198 7.3902 107.0837 46.2055 0.0000 173.1701 36 S 4.6635 8.6284 112.9750 58.0182 66.1012 172.9149 37 Y 5.0743 8.5217 121.8248 55.5948 41.7166 174.5099 38 G 4.4243 8.4919 113.5782 44.6233 0.0000 170.8323 39 Y 4.9728 8.7486 123.8702 55.0865 42.1704 173.6779 40 C 4.9426 8.5325 117.4817 56.6478 42.2627 172.9717 41 Y 4.7640 8.4326 123.8203 57.5806 40.6850 174.7591 42 G 3.5377 8.7125 117.4399 46.6902 0.0000 171.8301 43 F 3.5419 7.4639 111.8197 56.2333 36.6558 175.2837 44 G 4.4523 7.2271 104.4685 45.2038 0.0000 173.9613 45 C 4.9194 8.8756 121.0649 56.8137 42.7860 172.0964 46 Y 4.6142 8.5841 124.7799 55.7409 41.5948 173.2119 47 C 5.2867 8.4871 124.0925 55.0453 42.1013 172.4315 48 E 5.0247 10.1574 124.5151 55.2182 32.0633 176.0311 49 G 4.6115 9.2433 113.6112 45.8284 0.0000 173.3039 50 L 4.5280 7.6061 120.7354 52.9248 42.2040 174.7382 51 P 4.4931 0.0000 0.0000 62.2432 31.9838 176.7854 52 D 4.4128 8.6241 118.4907 57.2461 40.9264 178.2032 53 S 4.1767 8.3081 112.9685 61.7086 62.5892 175.0126 54 T 4.0456 7.3950 115.8102 62.7991 68.8857 173.0712 55 Q 4.4699 8.3195 123.9106 55.4706 29.9584 174.6182 56 T 4.9476 7.9904 113.5461 60.3010 71.8108 173.1501 57 W 4.6616 9.5667 134.6655 56.3845 32.3688 173.4388 58 P 2.9700 0.0000 0.0000 61.4747 31.5304 176.2524 59 L 4.0619 7.8441 122.9962 54.7527 40.5406 173.8671 60 P 4.2625 0.0000 0.0000 62.2939 31.3798 176.6536 61 N 4.0689 8.7461 115.3277 56.5282 38.3246 175.5625 62 K 4.0478 7.4751 116.6704 56.0475 31.6087 177.2129 63 T 4.0532 8.1120 120.3629 61.8599 67.8645 174.4049 64 C 5.3510 8.7519 119.6877 56.6337 44.7502 173.8293 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 K 8.17 4.42 0.00 1.74 1.84 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.49 7.81 2 D 7.98 4.65 0.00 2.80 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 3 G 9.08 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 0.00 0.00 0.00 0.00 4 Y 8.71 5.26 0.00 3.47 3.14 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 L 8.58 4.95 0.00 1.65 1.71 0.99 0.99 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 6 V 8.11 4.78 2.31 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 1.13 0.00 0.00 1.02 0.00 0.00 7 E 8.33 4.66 0.00 2.24 1.79 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 2.28 2.37 0.00 8 K 8.84 3.79 0.00 1.68 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 9 T 7.83 4.00 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 1.22 0.00 0.00 10 G 8.44 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 0.00 0.00 0.00 0.00 11 C 7.82 4.41 0.00 2.94 2.94 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 0.00 0.00 0.00 0.00 12 K 7.27 4.00 0.00 1.15 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.76 0.84 7.81 13 K 7.88 4.34 0.00 1.80 1.66 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.78 1.46 7.81 14 T 8.47 4.82 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 1.21 0.00 0.00 15 C 8.44 4.68 0.00 2.82 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 16 Y 8.06 4.91 0.00 3.00 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 17 K 7.49 4.29 0.00 1.63 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 18 L 8.05 4.09 0.00 1.55 1.59 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.35 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.74 4.24 0.00 2.00 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 2.39 2.32 0.00 21 N 8.17 4.70 0.00 2.98 2.73 0.00 0.00 7.11 8.46 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 22 D 8.73 4.48 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 3.77 0.00 3.23 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 24 C 9.32 4.39 0.00 2.99 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 25 N 7.90 4.17 0.00 2.75 2.82 0.00 0.00 7.21 7.62 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 26 R 8.20 3.80 0.00 1.67 1.69 0.00 3.00 0.00 0.00 2.94 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 27 E 7.79 4.38 0.00 2.17 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 0.00 2.47 2.43 0.00 28 C 8.61 4.48 0.00 3.03 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 29 K 8.23 4.22 0.00 1.68 1.51 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.41 7.81 30 W 8.12 4.56 0.00 3.51 2.88 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 31 K 8.50 4.13 0.00 1.84 1.83 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.46 7.81 32 H 8.96 4.15 0.00 3.35 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.99 4.67 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.91 0.00 0.00 34 G 8.54 3.85 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 0.00 0.00 0.00 35 G 7.39 3.92 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 0.00 0.00 0.00 36 S 8.63 4.66 0.00 3.90 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 37 Y 8.52 5.07 0.00 3.02 3.03 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 0.00 0.00 0.00 38 G 8.49 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 0.00 0.00 0.00 0.00 39 Y 8.75 4.97 0.00 2.99 2.43 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 40 C 8.53 4.94 0.00 2.88 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 41 Y 8.43 4.76 0.00 2.58 2.42 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 0.00 42 G 8.71 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.46 3.54 0.00 3.29 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 44 G 7.23 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.92 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 46 Y 8.58 4.61 0.00 2.36 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 0.00 0.00 0.00 0.00 47 C 8.49 5.29 0.00 2.71 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 48 E 10.16 5.02 0.00 2.14 2.04 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 2.48 2.39 0.00 49 G 9.24 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.53 0.00 1.73 1.66 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.49 0.00 2.22 2.23 0.00 3.67 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 2.04 1.98 0.00 52 D 8.62 4.41 0.00 2.68 2.78 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 53 S 8.31 4.18 0.00 3.95 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 54 T 7.40 4.05 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 1.14 0.00 0.00 55 Q 8.32 4.47 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 56 T 7.99 4.95 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 1.27 0.00 0.00 57 W 9.57 4.66 0.00 3.53 3.38 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 58 P 0.00 2.97 0.00 1.45 0.49 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 59 L 7.84 4.06 0.00 1.80 1.86 1.00 0.62 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 60 P 0.00 4.26 0.00 2.17 2.07 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 61 N 8.75 4.07 0.00 2.67 2.89 0.00 0.00 6.83 7.58 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 62 K 7.48 4.05 0.00 1.74 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.36 7.81 63 T 8.11 4.05 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 1.24 0.00 0.00 64 C 8.75 5.35 0.00 3.33 3.08 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 0.00 0.00 0.00