NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9872 8.3393 109.7363 44.6035 0.0000 172.6583 2 S 4.4188 7.4489 113.6003 56.7172 65.9555 174.0955 3 S 4.2241 8.7609 118.1304 59.0440 64.0576 175.2329 4 G 4.0945 8.2423 110.6657 44.0089 0.0000 173.0680 5 S 4.5502 8.4075 115.9249 56.9620 63.7877 174.1186 6 S 4.6865 8.7282 120.4423 56.5021 64.0182 173.2874 7 G 4.3534 8.4022 111.1593 44.6562 0.0000 170.9246 8 T 4.8894 8.8527 116.8614 61.0106 70.3802 173.1357 9 P 4.9191 0.0000 0.0000 63.4216 32.9508 174.8415 10 Y 4.9142 9.3265 119.7800 56.7465 43.4419 173.6329 11 R 5.0457 8.9103 119.1307 54.9516 34.0797 174.1213 12 A 4.5708 9.3320 128.8469 51.5365 17.8584 177.3840 13 M 3.8369 8.8621 122.4973 59.1828 32.4509 176.6401 14 Y 5.0132 7.3440 112.7192 56.0500 42.5301 174.9989 15 Q 4.4006 8.9637 122.5618 56.4837 29.9047 174.4285 16 Y 4.8121 8.8765 126.6609 56.0247 41.7606 175.8069 17 R 4.2408 6.9893 123.3711 52.9810 30.5426 172.1455 18 P 5.0024 0.0000 0.0000 62.4024 31.9034 176.8821 19 Q 4.5022 8.6705 121.9459 55.0938 29.2089 174.7867 20 N 4.6837 7.9883 114.4423 52.3673 41.8570 174.7499 21 E 4.0469 9.2150 123.9967 59.8057 29.8416 177.6926 22 D 4.6033 8.5882 118.6026 57.3499 42.3673 176.7777 23 E 5.3663 8.7688 118.1408 55.6776 30.9092 175.7151 24 L 4.8553 8.5861 125.4500 53.5789 43.3659 175.7797 25 E 4.4178 8.8346 127.1825 56.4359 30.6288 175.5306 26 L 4.9081 8.4659 123.2276 53.0261 46.9255 175.1539 27 R 4.8532 8.2391 120.2251 54.0345 33.8596 173.0592 28 E 3.8889 9.0554 126.6868 58.8385 30.1192 176.6761 29 G 3.8507 9.3685 117.8900 45.9517 0.0000 171.3306 30 D 5.0096 7.7774 117.8372 51.9068 44.1162 175.2463 31 R 4.7008 8.4876 123.7616 56.0181 31.1867 175.9937 32 V 4.3233 8.9452 123.2885 61.3278 35.2149 174.2098 33 D 5.3529 9.0181 127.8627 52.3515 41.0934 174.8262 34 V 3.8567 8.6403 123.1880 63.4026 32.3935 175.0112 35 M 4.4308 8.7023 125.6197 56.5424 34.0512 175.6981 36 Q 4.7468 8.5383 118.9589 54.2235 33.1527 173.5497 37 Q 5.2184 8.5467 122.2214 54.2595 30.9238 175.5849 38 C 4.3641 9.2115 122.8894 59.1488 28.9120 173.9351 39 D 4.3703 8.7052 122.9503 56.9145 38.9646 177.5267 40 D 4.5014 8.0383 120.2891 55.8345 41.0085 177.7070 41 G 3.7347 7.3519 113.9225 45.6705 0.0000 173.1256 42 W 3.8595 7.8745 120.8997 57.0934 30.5237 174.9212 43 F 5.3560 8.2711 118.3260 55.7539 42.9033 174.7707 44 V 3.8780 8.2317 121.3195 60.3391 34.0539 173.4693 45 G 3.9764 7.9601 118.4879 45.6713 0.0000 170.5046 46 V 5.0616 8.7265 121.2223 61.1038 34.8108 176.6951 47 S 4.6402 8.8057 120.9701 57.9030 63.9406 174.4660 48 R 4.6403 8.4715 119.0759 55.9014 30.7683 176.4537 49 R 4.3880 7.9722 118.2131 57.5139 31.4176 176.7551 50 T 4.4019 7.8184 103.5809 60.5741 69.6812 173.8007 51 Q 3.6681 7.8159 118.8666 55.9309 26.6916 173.4469 52 K 4.6819 7.8110 115.0806 55.1707 34.9966 175.1913 53 F 5.1916 8.3104 123.5378 56.8517 41.9450 175.0881 54 G 4.5979 6.9266 109.7035 47.2068 0.0000 171.2868 55 T 4.9526 8.2357 114.4614 60.2376 70.7904 174.2548 56 F 5.1533 8.0003 121.9757 54.1519 42.3737 172.2025 57 P 2.0000 0.0000 0.0000 61.5117 30.7500 177.3024 58 G 3.8688 7.6443 113.8934 48.1217 0.0000 173.8203 59 N 4.5391 7.8066 115.7833 55.4458 38.9174 175.1660 60 Y 4.5441 8.7177 116.0364 58.5555 39.0290 175.7008 61 V 5.0261 7.4474 111.2029 59.9137 34.6122 175.1204 62 A 4.9215 8.9632 122.3362 49.8488 22.7932 174.1981 63 P 3.0653 0.0000 0.0000 62.2517 31.1725 177.4391 64 V 3.3302 7.4591 126.1129 63.8970 31.9554 177.6628 65 S 3.9632 7.8050 114.7763 59.9516 62.4717 174.1884 66 G 3.6841 7.1515 104.8427 43.3154 0.0000 171.4282 67 P 4.3230 0.0000 0.0000 62.9131 30.2455 175.6037 68 S 4.7470 8.1878 118.4040 56.5782 65.4903 173.4720 69 S 4.7338 8.3543 115.7137 56.8362 63.7295 174.2325 70 G 3.7466 8.3347 114.6023 46.0203 0.0000 172.3098 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 G 8.34 3.99 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 0.00 0.00 0.00 2 S 7.45 4.42 0.00 4.02 3.79 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 0.00 0.00 0.00 3 S 8.76 4.22 0.00 3.88 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 4 G 8.24 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 5 S 8.41 4.55 0.00 3.90 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 6 S 8.73 4.69 0.00 3.97 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 7 G 8.40 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 0.00 0.00 0.00 0.00 8 T 8.85 4.89 4.44 0.00 0.00 0.00 0.00 0.00 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 9 P 0.00 4.92 0.00 2.08 2.18 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 10 Y 9.33 4.91 0.00 2.99 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 11 R 8.91 5.05 0.00 1.81 1.65 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 12 A 9.33 4.57 1.31 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 0.00 0.00 0.00 13 M 8.86 3.84 0.00 0.76 1.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 14 Y 7.34 5.01 0.00 2.86 2.79 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 0.00 0.00 0.00 15 Q 8.96 4.40 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 16 Y 8.88 4.81 0.00 2.69 2.79 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 0.00 0.00 0.00 17 R 6.99 4.24 0.00 1.50 1.63 0.00 3.20 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 18 P 0.00 5.00 0.00 2.27 2.34 0.00 3.26 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 19 Q 8.67 4.50 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 20 N 7.99 4.68 0.00 2.77 2.64 0.00 0.00 6.81 7.67 0.00 0.00 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 E 9.22 4.05 0.00 2.15 2.15 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 2.32 2.38 0.00 22 D 8.59 4.60 0.00 2.78 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 E 8.77 5.37 0.00 2.21 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 0.00 2.48 2.21 0.00 24 L 8.59 4.86 0.00 1.78 1.68 1.00 0.91 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 25 E 8.83 4.42 0.00 2.05 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 0.00 2.31 2.43 0.00 26 L 8.47 4.91 0.00 1.62 1.44 0.60 0.22 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 27 R 8.24 4.85 0.00 1.84 1.70 0.00 3.21 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 28 E 9.06 3.89 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 2.29 2.57 0.00 29 G 9.37 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 30 D 7.78 5.01 0.00 3.01 2.45 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 31 R 8.49 4.70 0.00 1.73 1.85 0.00 3.58 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 32 V 8.95 4.32 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 0.75 0.00 0.00 0.83 0.00 0.00 33 D 9.02 5.35 0.00 2.77 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 34 V 8.64 3.86 1.56 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 0.55 0.00 0.00 -0.06 0.00 0.00 35 M 8.70 4.43 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.73 0.00 36 Q 8.54 4.75 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 37 Q 8.55 5.22 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 38 C 9.21 4.36 0.00 3.10 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 D 8.71 4.37 0.00 2.77 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 D 8.04 4.50 0.00 2.69 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 41 G 7.35 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 0.00 0.00 0.00 42 W 7.87 3.86 0.00 3.06 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 43 F 8.27 5.36 0.00 2.37 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 0.00 0.00 0.00 0.00 44 V 8.23 3.88 2.03 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 1.09 0.00 0.00 0.85 0.00 0.00 45 G 7.96 3.98 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 0.00 0.00 0.00 46 V 8.73 5.06 2.20 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 1.23 0.00 0.00 1.24 0.00 0.00 47 S 8.81 4.64 0.00 3.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 4.64 0.00 1.92 1.90 0.00 3.39 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 49 R 7.97 4.39 0.00 1.84 1.89 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 50 T 7.82 4.40 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 1.22 0.00 0.00 51 Q 7.82 3.67 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 52 K 7.81 4.68 0.00 1.75 1.79 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.58 7.81 53 F 8.31 5.19 0.00 3.08 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 54 G 6.93 4.60 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 0.00 0.00 0.00 55 T 8.24 4.95 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 1.24 0.00 0.00 56 F 8.00 5.15 0.00 2.60 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 57 P 0.00 2.00 0.00 1.70 0.89 0.00 2.40 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.63 0.00 58 G 7.64 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 59 N 7.81 4.54 0.00 2.79 2.88 0.00 0.00 6.65 7.38 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 60 Y 8.72 4.54 0.00 3.04 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 61 V 7.45 5.03 2.36 0.00 0.00 0.00 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 1.33 0.00 0.00 62 A 8.96 4.92 1.18 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 63 P 0.00 3.07 0.00 1.78 1.67 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 64 V 7.46 3.33 1.98 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 0.67 0.00 0.00 0.86 0.00 0.00 65 S 7.81 3.96 0.00 3.71 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 66 G 7.15 3.68 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 0.00 0.00 0.00 67 P 0.00 4.32 0.00 2.17 2.11 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 68 S 8.19 4.75 0.00 3.96 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 69 S 8.35 4.73 0.00 3.84 3.78 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 70 G 8.33 3.75 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 0.00 0.00 0.00