NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.7357 0.0000 0.0000 62.7539 32.9805 175.0776 18 F 4.3257 8.6687 117.5760 59.5113 41.5918 173.8402 19 L 4.3416 8.0369 118.0088 54.6153 43.0652 177.7465 20 K 3.9573 8.0140 120.8301 59.0063 32.3947 178.8021 21 G 3.5636 7.9877 107.0528 48.3302 0.0000 174.2448 22 L 4.0884 7.9437 118.2449 54.8987 42.1266 177.0770 23 V 3.9344 7.1332 118.7531 64.4813 31.7637 175.1191 24 N 4.2050 8.9365 120.8573 54.3407 36.8910 173.7484 25 H 4.8936 7.9324 115.4246 53.9080 32.2088 173.7827 26 R 4.5908 8.3667 121.0317 56.3031 31.2600 175.6655 27 V 4.9607 9.4245 119.0008 59.6171 36.9381 174.3674 28 G 4.4549 9.4892 109.1282 44.4956 0.0000 172.1237 29 V 4.8041 8.9296 125.3378 60.9234 33.9825 173.9772 30 K 4.5967 8.3597 129.4666 54.6217 34.1456 176.1228 31 L 4.5257 8.0176 128.1179 54.2060 42.8714 176.4304 32 K 4.3866 7.8107 117.2689 57.0898 32.9716 177.2785 33 F 4.8363 7.1700 114.0300 56.7191 39.8389 174.2484 34 N 5.1429 7.4746 116.5316 51.2083 42.8458 174.2890 35 S 4.5516 8.2223 113.7719 58.4433 61.5769 173.6820 36 T 4.9914 7.2931 117.0782 62.4268 72.5101 174.6891 37 E 4.8277 8.7825 125.1234 54.9602 33.6673 173.1533 38 Y 5.3410 8.8417 124.6580 56.5880 40.2600 174.9103 39 R 5.1267 9.8175 123.1056 53.8755 34.0494 175.7235 40 G 4.1372 7.9328 108.1025 46.8442 0.0000 171.0694 41 T 4.8619 7.7306 117.1700 62.2759 69.6733 174.8419 42 L 4.3700 8.8139 130.4340 55.1590 42.1094 177.6895 43 V 3.7189 8.3050 127.5459 65.7081 32.1310 175.6889 44 S 4.6301 7.4131 112.4646 58.2871 66.7071 172.1760 45 T 5.0997 8.2101 114.5546 65.2199 72.3956 172.2749 46 D 4.6333 8.5736 118.6319 53.2176 41.4905 176.4727 47 N 4.1019 8.7259 118.8580 57.0863 38.5286 176.7226 48 Y 3.9870 8.1092 114.0298 58.9894 38.1992 177.7363 49 F 3.7009 8.6548 117.3470 58.0122 37.3593 174.2744 50 N 5.1053 8.0506 119.9273 52.5788 39.4403 174.2955 51 L 5.1588 8.6916 123.5182 53.8653 44.7114 174.9453 52 Q 4.5488 8.3488 120.9331 54.1336 31.4614 174.0268 53 L 5.0357 8.6809 128.2272 53.1975 45.5570 174.1887 54 N 5.3781 8.4541 122.0875 51.2045 41.8527 174.1693 55 E 3.6035 8.7877 123.3780 57.3465 27.3863 174.8627 56 A 4.5135 7.6728 120.2929 52.1893 20.2222 177.6582 57 E 5.0073 9.4275 122.3895 54.2734 33.2092 174.2229 58 E 4.6677 8.9256 128.6164 56.1268 31.3152 175.1997 59 F 4.9633 9.7737 126.2849 55.7241 42.7016 174.2135 60 V 4.4281 8.2812 124.4221 61.4258 32.6671 175.5118 61 A 3.6141 9.6522 130.1470 52.9230 16.6396 177.7788 62 G 4.0287 8.7642 104.1358 46.1521 0.0000 173.6184 63 V 4.3686 7.7055 119.0387 60.1343 33.5326 174.9823 64 S 3.6663 8.7183 122.0258 59.0463 62.4405 173.7593 65 H 4.7106 8.8563 127.1396 55.3961 29.3916 175.0145 66 G 3.8738 8.1913 105.8094 45.1614 0.0000 172.8398 67 T 4.9760 7.9969 114.2910 61.6194 70.7900 173.9720 68 L 4.7294 8.1159 125.8978 51.7338 43.9718 179.5726 69 G 4.2142 8.6494 108.9579 46.3794 0.0000 175.5379 70 E 4.8996 9.1179 127.0394 54.8944 30.9199 173.8852 71 I 4.9188 8.2134 116.8620 59.0278 41.4654 174.2984 72 F 5.1498 8.8634 121.0749 55.9522 41.6016 174.5195 73 I 4.5277 9.3250 125.7405 59.7525 39.8737 174.8630 74 R 4.8522 8.6275 126.9128 56.0142 31.5166 177.8317 75 S 4.1999 9.5407 121.6944 61.7456 62.5920 173.7563 76 N 3.9158 8.2361 117.1930 56.3809 38.7164 175.7389 77 N 4.6341 8.2163 112.9979 53.6906 39.0885 174.5843 78 V 4.2135 8.2932 120.6558 61.7927 32.2501 174.8519 79 L 4.3476 8.6696 131.5440 56.8610 42.0911 176.0179 80 Y 5.0918 7.0532 113.9305 56.0324 42.0562 172.4713 81 I 5.4543 8.7319 119.6168 59.5932 40.5335 175.2584 82 R 4.7879 9.1761 122.2198 54.2817 33.3922 173.7359 83 E 4.8184 8.5332 120.4804 54.7381 30.6308 175.2656 84 L 4.1938 8.5979 128.4437 53.8651 42.2589 176.6181 85 P 4.6721 0.0000 0.0000 60.9158 30.1716 175.1751 86 N 4.5742 7.8984 122.3162 53.6895 37.3673 175.2666 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 17 P 0.00 4.74 0.00 2.08 2.13 0.00 3.67 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 18 F 8.67 4.33 0.00 3.01 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 19 L 8.04 4.34 0.00 1.63 1.56 -0.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.01 3.96 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.44 7.81 21 G 7.99 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.09 0.00 1.81 1.68 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.13 3.93 2.17 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 0.75 0.00 0.00 0.97 0.00 0.00 24 N 8.94 4.21 0.00 2.86 2.82 0.00 0.00 6.85 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 25 H 7.93 4.89 0.00 3.32 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.37 4.59 0.00 1.90 1.81 0.00 3.12 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 27 V 9.42 4.96 2.21 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 0.81 0.00 0.00 0.99 0.00 0.00 28 G 9.49 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 29 V 8.93 4.80 2.22 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 1.08 0.00 0.00 1.00 0.00 0.00 30 K 8.36 4.60 0.00 1.31 0.74 0.00 1.44 0.00 0.00 1.37 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.69 1.02 7.81 31 L 8.02 4.53 0.00 1.09 1.05 0.68 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.81 4.39 0.00 1.75 1.83 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.29 7.81 33 F 7.17 4.84 0.00 3.10 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 34 N 7.47 5.14 0.00 2.71 2.77 0.00 0.00 6.92 7.57 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 35 S 8.22 4.55 0.00 3.87 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 36 T 7.29 4.99 3.97 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 0.70 0.00 0.00 37 E 8.78 4.83 0.00 1.85 1.66 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 2.14 2.34 0.00 38 Y 8.84 5.34 0.00 3.06 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 39 R 9.82 5.13 0.00 1.89 1.80 0.00 2.21 0.00 0.00 2.71 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 40 G 7.93 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 41 T 7.73 4.86 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 1.19 0.00 0.00 42 L 8.81 4.37 0.00 1.76 1.58 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.30 3.72 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 0.84 0.00 0.00 0.87 0.00 0.00 44 S 7.41 4.63 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 5.10 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 1.14 0.00 0.00 46 D 8.57 4.63 0.00 2.84 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 47 N 8.73 4.10 0.00 2.93 2.99 0.00 0.00 6.87 7.48 0.00 0.00 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 Y 8.11 3.99 0.00 3.42 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 49 F 8.65 3.70 0.00 3.13 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 50 N 8.05 5.11 0.00 3.01 2.87 0.00 0.00 6.52 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 51 L 8.69 5.16 0.00 1.67 1.72 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.35 4.55 0.00 1.70 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 53 L 8.68 5.04 0.00 1.61 1.37 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.45 5.38 0.00 2.70 2.57 0.00 0.00 7.13 6.94 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 55 E 8.79 3.60 0.00 2.15 2.02 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 2.23 2.29 0.00 56 A 7.67 4.51 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 57 E 9.43 5.01 0.00 2.12 2.11 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 1.92 2.27 0.00 58 E 8.93 4.67 0.00 2.32 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 59 F 9.77 4.96 0.00 3.04 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 60 V 8.28 4.43 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 0.88 0.00 0.00 0.53 0.00 0.00 61 A 9.65 3.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 4.03 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 0.00 0.00 0.00 63 V 7.71 4.37 2.26 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 0.99 0.00 0.00 0.98 0.00 0.00 64 S 8.72 3.67 0.00 3.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.86 4.71 0.00 3.06 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.19 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 67 T 8.00 4.98 4.25 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 1.29 0.00 0.00 68 L 8.12 4.73 0.00 1.55 1.58 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.65 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 0.00 0.00 0.00 0.00 70 E 9.12 4.90 0.00 1.98 1.85 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 2.35 2.27 0.00 71 I 8.21 4.92 1.77 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 1.08 0.87 0.83 0.00 0.00 72 F 8.86 5.15 0.00 2.78 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 73 I 9.32 4.53 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.28 0.99 0.00 0.00 74 R 8.63 4.85 0.00 1.81 1.93 0.00 3.69 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 75 S 9.54 4.20 0.00 3.66 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 76 N 8.24 3.92 0.00 2.76 2.98 0.00 0.00 6.92 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.22 4.63 0.00 2.80 2.88 0.00 0.00 6.57 8.74 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 78 V 8.29 4.21 2.10 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 0.86 0.00 0.00 1.04 0.00 0.00 79 L 8.67 4.35 0.00 1.56 1.42 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.05 5.09 0.00 3.04 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 81 I 8.73 5.45 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 1.09 0.00 0.00 82 R 9.18 4.79 0.00 1.87 2.07 0.00 2.80 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 83 E 8.53 4.82 0.00 1.97 1.88 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 2.22 2.47 0.00 84 L 8.60 4.19 0.00 1.58 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.67 0.00 2.15 2.06 0.00 3.67 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 1.89 1.91 0.00 86 N 7.90 4.57 0.00 2.79 2.76 0.00 0.00 6.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00