NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7057 8.2833 119.2055 53.0812 39.3424 174.3194 6 I 3.6432 7.9727 125.0454 62.8862 37.3516 175.7333 7 Q 3.8236 8.8222 121.2860 59.5326 28.9819 177.9348 8 D 4.2893 8.4927 119.4274 56.9970 40.8580 178.7834 9 Q 4.1189 7.7202 117.8278 58.6131 28.9317 178.1324 10 F 4.0803 8.3452 121.8222 61.2397 39.2871 177.2899 11 L 3.7217 7.7118 118.6074 57.3750 41.2393 178.8476 12 N 4.4657 7.6873 115.9405 56.8579 38.9116 176.9890 13 Q 3.9764 7.9002 119.2198 58.6232 28.8846 178.4487 14 I 3.6748 7.2770 115.0752 62.9670 36.9450 178.2651 15 R 4.0691 7.5781 120.7939 58.9961 29.8078 178.3083 16 K 4.1772 8.0288 117.2213 58.6266 32.2744 178.0096 17 E 4.3023 7.9674 116.8165 55.8156 30.5273 176.8851 18 N 4.0964 7.4862 114.1435 54.2769 36.3735 175.0477 19 T 4.0515 7.8269 117.8026 63.5536 70.3841 175.2279 20 Y 4.3185 9.0548 124.5686 58.6706 37.2340 173.7713 21 V 4.1884 8.2737 122.4252 60.5631 33.5560 176.0958 22 T 4.4752 8.7498 122.5122 63.0737 70.3427 174.0677 23 V 4.6238 8.6825 124.5794 61.3043 34.4362 174.1119 24 F 4.9443 9.2065 127.9148 56.2417 40.8846 175.6741 25 L 4.9472 8.6994 123.0197 52.9263 43.8911 177.6091 26 L 4.0286 9.2502 121.9856 58.2588 41.5943 178.6675 27 N 4.5771 8.1717 112.1744 53.0578 37.2639 175.9854 28 G 4.0885 8.6146 108.4394 45.6986 0.0000 174.2956 29 F 4.2050 8.9947 123.2755 58.2684 39.9609 173.4707 30 Q 4.8309 6.9607 124.3507 53.9990 31.1199 174.5134 31 L 4.7712 8.4453 120.9934 54.1019 44.1786 175.3100 32 R 4.7663 8.3491 119.3313 54.5596 33.2547 176.3882 33 G 3.6300 7.0379 107.4729 45.8401 0.0000 171.6418 34 Q 4.8410 7.4533 117.3169 53.8750 32.7784 175.2275 35 V 4.4419 8.3242 122.2204 62.7757 31.9891 175.6969 36 K 4.5562 8.9516 125.7175 56.2081 34.2952 176.2742 37 G 4.1767 7.9373 104.8730 45.8698 0.0000 172.3838 38 F 5.5657 8.0856 115.2996 55.9280 40.4985 173.4371 39 D 4.9595 8.9457 119.3275 52.1602 41.7833 175.4773 40 N 3.9265 9.0117 114.6442 56.1757 38.7298 175.5853 41 F 4.9437 8.5930 114.6095 57.3967 41.4565 174.5145 42 T 5.1758 7.8693 114.1203 60.4097 71.3545 172.4442 43 V 4.7026 9.1857 126.1323 61.0303 34.9582 174.0839 44 L 4.8363 9.0926 130.6563 53.7691 43.2662 174.2950 45 L 5.0766 8.7096 129.6860 53.4315 44.3214 174.7992 46 E 4.9533 8.8555 126.2247 55.4874 31.3875 175.3593 47 S 4.7014 8.8291 120.4597 56.9226 66.2364 174.2851 48 E 3.8775 9.6852 125.3672 57.6091 26.5947 176.2666 49 G 4.0193 7.9344 103.3524 45.9758 0.0000 172.8536 50 K 4.3974 7.7695 120.1348 55.6561 33.9001 175.9652 51 Q 4.7309 8.4302 122.0515 55.6631 30.1489 175.4004 52 Q 4.4408 9.3452 121.1585 54.2192 33.0386 173.7512 53 L 4.7493 8.6438 126.7094 54.0077 43.2178 175.3636 54 I 4.4893 8.8879 128.3207 59.3844 39.8478 175.1493 55 Y 4.5401 8.4510 125.0976 57.6511 38.6545 176.8302 56 K 3.9730 9.5329 125.5507 59.9145 32.3598 178.8639 57 H 4.2623 8.3093 112.1662 57.6671 28.5210 175.6560 58 A 4.4755 8.0458 122.5349 52.7151 19.5725 176.7761 59 I 4.1627 7.5121 117.7607 60.9881 37.7424 175.7725 60 S 4.3233 8.5753 121.6497 60.9266 62.5388 174.1408 61 T 4.6293 7.4729 114.7870 62.0881 73.0672 172.0574 62 F 5.3140 8.8838 124.3977 56.1842 40.8471 175.4162 63 A 4.8839 9.2639 127.3350 49.2645 20.0395 174.0138 64 P 4.5476 0.0000 0.0000 64.1452 32.1052 176.5081 65 Q 4.2950 8.3917 119.1485 58.1725 29.1660 175.9072 66 K 4.6668 7.8782 116.0472 54.4483 34.8372 175.7052 67 N 4.7230 8.4149 118.6096 52.6451 39.7651 174.7071 68 V 4.2967 7.9249 119.0322 61.1160 33.6706 175.0446 69 Q 4.4089 8.3976 124.8500 55.1273 29.6149 176.0339 70 L 4.3612 8.2730 121.6905 55.0382 42.7796 176.2059 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 5 N 8.28 4.71 0.00 2.75 2.81 0.00 0.00 7.08 6.93 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 6 I 7.97 3.64 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.34 0.89 0.00 0.00 7 Q 8.82 3.82 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 8 D 8.49 4.29 0.00 2.87 2.81 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 0.00 0.00 0.00 9 Q 7.72 4.12 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 10 F 8.35 4.08 0.00 3.13 2.98 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 0.00 0.00 0.00 11 L 7.71 3.72 0.00 0.72 0.42 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.69 4.47 0.00 3.21 2.86 0.00 0.00 7.20 7.14 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 13 Q 7.90 3.98 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 14 I 7.28 3.67 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.29 0.00 0.00 15 R 7.58 4.07 0.00 2.05 2.13 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 16 K 8.03 4.18 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.81 7.81 17 E 7.97 4.30 0.00 2.05 1.93 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 2.27 2.36 0.00 18 N 7.49 4.10 0.00 2.84 2.99 0.00 0.00 6.90 7.42 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 19 T 7.83 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 20 Y 9.05 4.32 0.00 2.95 3.05 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 0.00 21 V 8.27 4.19 2.07 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 0.79 0.00 0.00 1.18 0.00 0.00 22 T 8.75 4.48 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 23 V 8.68 4.62 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 0.77 0.00 0.00 1.03 0.00 0.00 24 F 9.21 4.94 0.00 2.89 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 25 L 8.70 4.95 0.00 1.97 1.72 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.25 4.03 0.00 1.63 1.78 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.17 4.58 0.00 2.86 2.97 0.00 0.00 6.09 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.61 4.09 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 0.00 0.00 0.00 29 F 8.99 4.21 0.00 3.05 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 30 Q 6.96 4.83 0.00 1.36 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.52 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 31 L 8.45 4.77 0.00 1.71 1.84 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.35 4.77 0.00 1.81 1.97 0.00 3.41 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 33 G 7.04 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 34 Q 7.45 4.84 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.93 0.00 0.00 0.00 0.00 0.00 2.20 1.79 0.00 35 V 8.32 4.44 2.08 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 0.94 0.00 0.00 0.90 0.00 0.00 36 K 8.95 4.56 0.00 1.59 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.64 7.81 37 G 7.94 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 38 F 8.09 5.57 0.00 3.09 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 39 D 8.95 4.96 0.00 2.90 2.81 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 0.00 0.00 0.00 40 N 9.01 3.93 0.00 2.34 2.32 0.00 0.00 6.56 7.45 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 41 F 8.59 4.94 0.00 3.31 3.26 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 42 T 7.87 5.18 4.29 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 1.25 0.00 0.00 43 V 9.19 4.70 2.24 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 1.04 0.00 0.00 1.13 0.00 0.00 44 L 9.09 4.84 0.00 1.80 1.79 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.71 5.08 0.00 1.84 1.52 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.86 4.95 0.00 1.94 1.83 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 2.27 2.27 0.00 47 S 8.83 4.70 0.00 3.72 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 48 E 9.69 3.88 0.00 2.09 2.00 0.00 0.00 0.00 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 2.27 0.00 49 G 7.93 4.02 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 0.00 0.00 0.00 50 K 7.77 4.40 0.00 1.95 1.96 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.41 7.81 51 Q 8.43 4.73 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 52 Q 9.35 4.44 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 53 L 8.64 4.75 0.00 1.57 1.47 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.89 4.49 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.94 0.00 0.00 55 Y 8.45 4.54 0.00 2.92 2.40 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 56 K 9.53 3.97 0.00 1.96 1.97 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.61 1.64 7.81 57 H 8.31 4.26 0.00 3.29 3.55 0.00 5.51 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 58 A 8.05 4.48 1.46 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 59 I 7.51 4.16 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.74 0.34 0.00 0.00 60 S 8.58 4.32 0.00 3.89 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 61 T 7.47 4.63 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 1.22 0.00 0.00 62 F 8.88 5.31 0.00 3.00 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 63 A 9.26 4.88 1.46 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 64 P 0.00 4.55 0.00 2.29 2.01 0.00 4.03 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 65 Q 8.39 4.29 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 66 K 7.88 4.67 0.00 1.74 1.67 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 67 N 8.41 4.72 0.00 2.72 2.77 0.00 0.00 6.75 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 68 V 7.92 4.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.43 0.00 0.00 69 Q 8.40 4.41 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 70 L 8.27 4.36 0.00 1.60 1.52 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00