NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5086 8.3344 115.3097 58.2980 62.7867 171.9229 3 F 4.9080 8.0983 125.8611 55.2777 41.9782 173.2964 4 S 3.9867 9.3221 121.5412 61.8950 62.6551 176.3407 5 S 3.8286 6.0592 116.8162 61.3606 61.6436 176.3572 6 L 3.9817 7.5969 122.4950 58.2545 41.7315 178.2539 7 Y 4.3289 8.3569 119.7138 60.7646 38.8292 178.0864 8 K 4.1651 8.4888 119.8285 59.5019 31.8470 179.4229 9 T 3.6686 7.4634 109.0739 64.1079 68.5712 175.8209 10 F 4.2605 6.9567 119.4569 58.1653 39.9963 177.0685 11 F 4.7339 7.7725 114.5468 56.0076 40.9730 175.2367 12 K 4.3074 8.6770 113.2888 58.6163 29.0089 174.2325 13 R 3.8611 8.0764 113.1457 56.7457 29.5537 176.9786 14 N 4.8053 7.9476 114.9776 52.0112 39.9465 174.8105 15 A 4.4206 8.2134 122.9350 50.7894 19.4404 177.5835 16 V 3.2629 7.8196 119.7314 62.4580 32.2889 176.7824 17 F 4.7817 8.3211 125.5841 56.9850 41.0429 176.7333 18 V 3.3519 8.4248 115.0949 64.7713 31.3284 179.0345 19 G 3.7379 8.0358 104.4717 48.4105 0.0000 175.6490 20 T 4.0651 7.8819 117.5562 66.0305 68.5356 177.0179 21 I 3.7003 7.7025 121.8676 64.4286 37.1649 178.3985 22 F 4.6781 8.5220 118.7576 60.7827 38.6610 177.6178 23 A 4.1788 8.4298 120.5123 55.2476 18.1790 179.9832 24 G 3.6292 8.7406 104.4330 47.8172 0.0000 175.8487 25 A 4.1635 8.4083 123.1577 54.9426 17.8194 179.8144 26 F 3.9142 8.4488 116.1230 60.6998 39.0322 178.0785 27 V 3.7129 7.8335 118.0590 65.8807 31.3688 177.6449 28 F 4.0744 8.4869 120.4985 61.4687 39.2813 176.5492 29 Q 3.9656 8.2998 119.0133 59.8346 28.7088 178.8065 30 T 3.8272 7.6047 115.3570 66.6049 68.5374 176.8514 31 V 3.5405 7.7662 119.9445 66.0154 31.5210 177.9005 32 F 3.9979 8.2346 120.6363 61.1963 39.0287 176.5032 33 D 4.0925 7.7687 117.0888 57.6900 41.0044 178.3850 34 T 3.8072 7.8120 115.9302 66.4258 68.4237 176.5457 35 A 3.9713 8.0538 122.7214 55.2345 18.4222 179.8040 36 I 3.5607 7.6587 118.6222 64.7568 37.0381 178.7719 37 T 3.9431 8.0696 116.8489 66.8354 68.2872 176.8488 38 S 4.1327 8.2707 117.0070 61.3028 62.8617 176.5956 39 W 3.9737 8.3284 131.0510 60.5154 30.2633 177.3832 40 Y 4.1294 8.5613 118.6750 60.9453 38.4967 177.6034 41 E 3.9883 8.5715 119.7907 59.3193 29.6325 178.8979 42 N 4.1597 8.0569 117.2183 56.8199 38.7747 176.4877 43 H 3.8100 7.6321 118.6618 57.9796 29.9719 175.9624 44 N 4.7496 7.0787 117.4241 51.3178 39.1421 174.0939 45 K 4.1466 6.9170 122.1468 58.0320 32.4792 176.4318 46 G 4.0694 9.5626 115.1200 45.4465 0.0000 174.4807 47 K 4.2804 7.6152 117.4567 57.6527 33.2898 177.9630 48 L 4.2603 7.6692 118.3101 53.9944 43.5046 177.6230 49 W 4.4480 8.8321 130.9350 60.7312 30.5508 178.3432 50 K 3.6379 8.1498 117.8957 59.7939 31.6357 178.8305 51 D 4.2664 7.8668 118.3840 57.1071 40.9211 178.8336 52 V 3.5019 7.5366 118.9702 65.5740 31.3030 178.0639 53 K 3.2447 7.5514 118.7422 58.8864 31.8909 178.4617 54 A 3.9903 7.2131 120.3133 55.1660 18.4086 179.4411 55 R 3.9726 7.4563 115.0289 58.7188 31.4628 178.6539 56 I 4.0733 7.1338 119.9910 60.1654 33.9870 175.2010 57 A 4.2822 7.6209 123.0581 53.0007 20.4662 177.5848 58 A 4.1683 7.8672 122.6001 52.5304 18.5645 177.1269 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 2 S 8.33 4.51 0.00 3.91 3.93 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 3 F 8.10 4.91 0.00 3.15 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 4 S 9.32 3.99 0.00 3.81 3.49 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 5 S 6.06 3.83 0.00 3.39 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.60 3.98 0.00 1.98 2.04 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.36 4.33 0.00 3.16 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 8 K 8.49 4.17 0.00 1.91 1.82 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.68 7.81 9 T 7.46 3.67 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 10 F 6.96 4.26 0.00 2.39 1.68 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 11 F 7.77 4.73 0.00 2.19 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 12 K 8.68 4.31 0.00 1.79 1.90 0.00 1.95 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 13 R 8.08 3.86 0.00 2.09 2.13 0.00 3.04 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 14 N 7.95 4.81 0.00 2.90 2.66 0.00 0.00 6.90 6.62 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 15 A 8.21 4.42 1.29 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 0.00 0.00 16 V 7.82 3.26 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 0.57 0.00 0.00 0.07 0.00 0.00 17 F 8.32 4.78 0.00 3.05 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 18 V 8.42 3.35 1.47 0.00 0.00 0.00 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 0.76 0.00 0.00 19 G 8.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.07 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 1.32 0.00 0.00 21 I 7.70 3.70 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.77 0.95 0.00 0.00 22 F 8.52 4.68 0.00 3.16 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 A 8.43 4.18 1.42 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 24 G 8.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.16 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.45 3.91 0.00 3.28 3.20 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 0.00 27 V 7.83 3.71 2.32 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 1.06 0.00 0.00 1.08 0.00 0.00 28 F 8.49 4.07 0.00 3.21 3.24 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 0.00 29 Q 8.30 3.97 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 30 T 7.60 3.83 4.41 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 0.00 0.00 0.00 1.23 0.00 0.00 31 V 7.77 3.54 2.06 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 1.08 0.00 0.00 1.00 0.00 0.00 32 F 8.23 4.00 0.00 1.75 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 33 D 7.77 4.09 0.00 2.89 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 34 T 7.81 3.81 4.34 0.00 0.00 0.00 0.00 0.00 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 35 A 8.05 3.97 1.32 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 0.00 0.00 36 I 7.66 3.56 1.49 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.33 0.74 0.00 0.00 37 T 8.07 3.94 4.28 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 1.25 0.00 0.00 38 S 8.27 4.13 0.00 4.09 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 39 W 8.33 3.97 0.00 3.53 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 40 Y 8.56 4.13 0.00 3.20 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 41 E 8.57 3.99 0.00 2.09 1.95 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 2.39 2.58 0.00 42 N 8.06 4.16 0.00 2.80 2.73 0.00 0.00 6.84 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 43 H 7.63 3.81 0.00 1.84 2.74 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.08 4.75 0.00 2.38 2.56 0.00 0.00 6.50 7.18 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 45 K 6.92 4.15 0.00 1.70 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.32 7.81 46 G 9.56 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 47 K 7.62 4.28 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.34 7.81 48 L 7.67 4.26 0.00 1.96 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.83 4.45 0.00 3.35 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 50 K 8.15 3.64 0.00 1.79 1.78 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.59 7.81 51 D 7.87 4.27 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 3.50 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 1.01 0.00 0.00 1.02 0.00 0.00 53 K 7.55 3.24 0.00 0.79 1.21 0.00 1.75 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 1.10 7.81 54 A 7.21 3.99 1.23 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 0.00 0.00 55 R 7.46 3.97 0.00 1.92 1.95 0.00 3.27 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 56 I 7.13 4.07 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.90 0.00 0.00 57 A 7.62 4.28 1.23 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 0.00 0.00 58 A 7.87 4.17 1.23 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 0.00 0.00