NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.6353 8.2993 120.0840 56.6849 33.9189 174.1583 2 K 4.0368 8.1814 118.6783 56.4151 35.3189 172.8584 3 D 4.5713 9.1157 119.6096 52.1183 43.8703 177.8540 4 G 3.3899 5.3800 106.3568 45.2027 0.0000 170.7509 5 Y 4.4258 7.5218 118.4331 55.4851 39.4115 173.8450 6 P 4.2894 0.0000 0.0000 63.2500 32.1436 175.4958 7 V 4.1216 7.9406 118.9946 59.3126 33.3921 178.2109 8 D 5.1653 7.8778 122.5961 52.7278 39.4896 176.9158 9 S 4.1049 8.8762 112.0389 61.6619 62.9052 174.9516 10 G 3.8405 8.4474 108.1775 44.9640 0.0000 172.5033 11 N 3.9070 7.8532 115.4899 54.7265 37.1183 174.5270 12 C 4.9804 8.1516 117.1279 54.0461 39.6603 171.5698 13 K 3.8040 8.1400 120.5186 57.2513 32.8654 176.1714 14 Y 4.5758 7.6633 123.2659 58.1661 38.0391 176.0804 15 E 4.6462 8.6335 122.7468 56.5537 31.0592 175.9131 16 C 5.3722 8.3549 118.6899 55.7128 46.6851 172.7319 17 L 4.9706 8.8845 119.7500 55.3873 41.7081 176.6362 18 K 4.8633 8.0210 117.5322 53.6382 36.4326 176.2938 19 D 4.6336 9.0788 121.0560 57.7024 41.0290 178.5683 20 D 4.4559 8.2142 119.2792 56.7010 39.4289 177.7933 21 Y 4.4338 8.3819 121.0044 60.7214 38.6884 177.5220 22 C 3.9874 8.0327 117.1416 59.6359 40.8017 175.4287 23 N 4.9768 8.2436 119.9766 56.8807 38.6176 175.7959 24 D 4.3508 8.3671 119.5788 56.9004 41.2123 177.4948 25 L 3.9240 8.4102 120.9770 58.6493 42.0850 179.1773 26 C 4.2498 8.3017 116.5152 59.9910 37.8870 175.9637 27 L 4.6712 8.0238 122.1013 57.2385 40.9040 179.2480 28 E 3.9233 7.9296 118.6299 59.2887 29.7453 178.8023 29 R 4.0289 7.4399 115.7465 57.2687 30.0321 177.1382 30 K 4.1366 7.7865 119.4997 55.8695 32.4543 175.0084 31 A 4.6987 7.8885 118.4509 49.4813 20.3459 178.6919 32 D 4.4374 8.8940 122.1543 57.0263 41.8843 176.5745 33 K 4.7297 7.9168 115.4003 56.1180 36.1555 174.7893 34 G 4.6151 8.5024 106.1048 46.0771 0.0000 172.0883 35 Y 6.1826 7.6379 121.0744 54.5408 41.7631 172.6866 36 C 5.1732 9.2517 119.9840 55.6858 40.2040 174.1053 37 Y 4.6440 8.9545 129.3304 57.6597 38.7897 176.6156 38 W 4.0728 9.9631 131.3242 57.2333 28.4817 178.5825 39 G 4.1393 10.8600 112.2550 49.1215 0.0000 174.6766 40 K 3.8187 7.8655 116.4433 57.8497 33.3166 173.9434 41 V 4.2905 7.6011 121.5166 63.2158 31.9811 177.9206 42 S 4.6003 6.6642 116.4740 58.8071 69.3382 174.0575 43 C 4.9173 8.5704 118.8012 57.9199 35.7043 172.9935 44 Y 4.2158 8.7398 122.1081 56.0773 41.5014 173.9885 45 C 5.0851 7.5788 123.2471 55.3818 45.5365 172.7088 46 Y 4.7382 8.5248 116.5479 59.1526 40.8247 175.5183 47 G 4.1037 9.0978 113.2281 45.1967 0.0000 172.8236 48 L 4.1344 7.8964 120.7210 53.4276 42.4609 175.0694 49 P 4.5332 0.0000 0.0000 62.8013 31.6589 176.8835 50 D 4.3165 8.5975 121.0580 58.0411 40.8815 177.5381 51 N 4.6600 7.9271 113.4513 52.7787 37.5735 174.8772 52 S 3.9277 7.6671 113.6595 58.5606 62.8773 172.0608 53 P 4.4861 0.0000 0.0000 63.3744 31.9066 175.2045 54 T 5.0350 8.1352 113.7689 58.6498 72.4019 173.4318 55 K 4.3351 7.9468 119.4341 57.4432 31.8835 175.5710 56 T 4.4127 8.6378 119.8724 63.4921 71.8133 174.7775 57 S 4.6453 7.4897 111.9943 57.1622 63.7724 173.0316 58 G 4.1777 7.4363 108.9018 45.3490 0.0000 171.1642 59 K 4.3541 7.8641 116.1563 56.2383 33.0690 174.5580 60 C 3.9797 8.4585 124.0652 56.6016 41.0331 170.7481 61 N 4.9314 8.1632 122.4698 50.4360 41.3966 171.9785 62 P 4.1922 0.0000 0.0000 63.5361 31.5852 176.1579 63 A 4.0963 8.3406 125.5065 52.9838 18.9291 175.5976 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 8.30 4.64 0.00 1.66 1.81 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 2 K 8.18 4.04 0.00 1.86 1.82 0.00 1.06 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.47 7.81 3 D 9.12 4.57 0.00 2.48 1.78 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 4 G 5.38 3.39 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 0.00 5 Y 7.52 4.43 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.29 0.00 2.31 2.28 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.92 0.00 7 V 7.94 4.12 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 0.80 0.00 0.00 0.94 0.00 0.00 8 D 7.88 5.17 0.00 3.00 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 9 S 8.88 4.10 0.00 4.01 4.06 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 10 G 8.45 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.85 3.91 0.00 2.90 2.86 0.00 0.00 7.06 7.64 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 12 C 8.15 4.98 0.00 3.14 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 13 K 8.14 3.80 0.00 1.63 1.72 0.00 1.46 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.39 7.81 14 Y 7.66 4.58 0.00 2.97 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 15 E 8.63 4.65 0.00 1.91 1.96 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 2.33 2.45 0.00 16 C 8.35 5.37 0.00 2.85 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 17 L 8.88 4.97 0.00 1.95 1.91 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.02 4.86 0.00 1.99 1.98 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.46 7.81 19 D 9.08 4.63 0.00 2.91 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 20 D 8.21 4.46 0.00 3.07 2.99 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 21 Y 8.38 4.43 0.00 3.10 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.99 0.00 3.21 3.21 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 0.00 23 N 8.24 4.98 0.00 2.90 3.00 0.00 0.00 6.50 7.92 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 24 D 8.37 4.35 0.00 2.93 2.70 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 0.00 0.00 0.00 0.00 25 L 8.41 3.92 0.00 1.78 1.47 0.63 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.30 4.25 0.00 3.20 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 27 L 8.02 4.67 0.00 1.80 1.72 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.93 3.92 0.00 1.96 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 2.29 2.33 0.00 29 R 7.44 4.03 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 30 K 7.79 4.14 0.00 1.77 2.20 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.43 7.81 31 A 7.89 4.70 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 32 D 8.89 4.44 0.00 2.74 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 33 K 7.92 4.73 0.00 1.88 1.87 0.00 1.38 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.52 7.81 34 G 8.50 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.64 6.18 0.00 3.21 3.22 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 36 C 9.25 5.17 0.00 3.30 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 37 Y 8.95 4.64 0.00 3.46 3.10 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 38 W 9.96 4.07 0.00 3.57 3.10 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 39 G 10.86 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 0.00 0.00 0.00 40 K 7.87 3.82 0.00 1.88 1.87 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.34 7.81 41 V 7.60 4.29 2.41 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 0.49 0.00 0.00 0.69 0.00 0.00 42 S 6.66 4.60 0.00 3.80 3.66 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 43 C 8.57 4.92 0.00 3.06 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 44 Y 8.74 4.22 0.00 2.79 1.80 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 45 C 7.58 5.09 0.00 2.61 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 46 Y 8.52 4.74 0.00 3.12 2.90 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 47 G 9.10 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 0.00 0.00 0.00 48 L 7.90 4.13 0.00 1.72 1.52 0.65 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.53 0.00 2.22 1.96 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 50 D 8.60 4.32 0.00 2.65 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 N 7.93 4.66 0.00 2.80 2.90 0.00 0.00 5.91 7.64 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 52 S 7.67 3.93 0.00 3.83 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 53 P 0.00 4.49 0.00 2.28 2.18 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 54 T 8.14 5.04 4.32 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 1.17 0.00 0.00 55 K 7.95 4.34 0.00 1.71 1.80 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.24 7.81 56 T 8.64 4.41 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 1.19 0.00 0.00 57 S 7.49 4.65 0.00 3.89 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 58 G 7.44 4.18 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 0.00 0.00 0.00 59 K 7.86 4.35 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.36 7.81 60 C 8.46 3.98 0.00 3.19 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 61 N 8.16 4.93 0.00 2.61 2.60 0.00 0.00 7.25 7.68 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 62 P 0.00 4.19 0.00 2.08 2.01 0.00 3.77 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 2.02 2.08 0.00 63 A 8.34 4.10 1.17 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