NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4588 8.1476 120.3252 55.8296 34.3497 176.8844 2 T 3.9394 7.7804 106.5352 59.9202 69.1861 172.9752 3 I 3.1655 8.8452 113.9099 60.8650 38.4162 176.6095 4 Q 3.2654 7.6402 118.3813 56.8952 28.0103 173.7085 5 A 4.4812 7.9943 118.2493 51.0707 19.5746 173.8503 6 P 4.5560 0.0000 0.0000 63.3876 29.8461 174.2525 7 E 4.2306 8.7133 124.2108 55.0013 29.9020 174.3315 8 T 4.6120 8.1287 123.2754 63.1277 69.5950 174.4182 9 K 4.5736 8.9883 125.4956 54.8730 36.5468 175.3439 10 I 4.7661 8.5751 126.4581 60.6342 37.9776 175.5007 11 V 4.3510 8.7993 127.6660 61.2883 33.6596 176.2391 12 D 4.3170 8.7974 124.5293 56.2192 41.5155 176.6876 13 K 4.6196 7.6180 116.2885 54.8312 34.5087 176.4075 14 S 4.4617 8.5325 116.5355 61.2943 64.1459 174.6382 15 R 4.8152 8.0043 116.6779 55.4890 30.3683 176.1033 16 V 3.9871 8.7700 124.8890 60.6956 33.7084 175.0786 17 A 3.4251 7.5437 130.5371 51.1777 16.6360 176.1113 18 C 4.0738 8.5719 123.9441 58.7835 33.9286 171.6275 19 D 4.3870 9.4505 116.8198 53.0577 42.3997 177.9493 20 G 4.0990 7.1823 107.8049 46.5433 0.0000 170.3179 21 G 3.7918 8.7223 114.7791 46.2559 0.0000 176.3305 22 E 4.2199 9.3071 121.4747 55.3367 31.0511 177.6902 23 G 3.6408 8.7717 109.5566 49.0373 0.0000 174.7645 24 A 4.2325 7.8783 119.3986 52.5579 19.3324 177.2732 25 L 4.8461 8.2516 117.5149 53.7590 42.8947 173.8418 26 G 3.6127 9.0032 107.8987 44.3886 0.0000 174.6372 27 H 3.8104 8.7104 114.5316 56.5344 25.8629 173.3868 28 P 4.4439 0.0000 0.0000 61.8746 32.0118 171.9183 29 R 3.7200 7.3803 125.0489 56.1174 28.5880 175.0213 30 V 4.6183 8.3635 117.6229 59.1606 35.6691 174.7580 31 W 5.0476 9.1515 125.0024 55.2029 30.6086 175.2125 32 L 4.7622 8.7022 125.7374 52.9136 43.7859 175.5145 33 Q 4.7310 8.6252 125.1131 55.1525 29.9600 174.9300 34 I 4.1308 8.5934 129.3977 60.1118 38.0062 174.0644 35 P 4.4570 0.0000 0.0000 61.7160 31.5001 177.0235 36 E 4.1766 8.8489 123.2184 58.8116 29.6792 178.8998 37 D 4.4951 8.0572 117.8787 56.7741 41.7100 176.9811 38 T 4.3107 7.7907 107.9177 62.6072 69.7142 175.0653 39 G 4.2876 9.4956 107.6986 45.4723 0.0000 172.2988 40 W 6.3000 7.3291 114.9351 54.6337 31.8193 174.4375 41 V 4.7115 8.6511 118.3433 60.4600 34.3539 173.2481 42 E 5.2993 9.1841 121.8122 54.9472 32.6726 175.2268 43 C 4.8439 8.6091 121.3456 57.0691 30.0911 172.8981 44 P 4.5051 0.0000 0.0000 63.6738 29.9067 176.7374 45 Y 4.2673 7.4402 116.2583 59.9841 38.3003 175.6638 46 C 4.3839 8.0734 117.6800 59.0663 32.2999 173.7658 47 D 4.5801 8.2428 116.7014 55.9184 38.3588 172.6564 48 C 4.2255 7.4640 117.7223 60.1096 29.1204 173.3488 49 K 4.3871 8.7401 128.0777 55.1342 32.9026 174.7731 50 Y 4.9452 9.0961 127.4308 57.2689 39.1103 175.0148 51 V 4.8797 8.7988 125.7053 61.3320 33.8603 174.6736 52 L 4.4542 9.0077 130.3858 54.1810 43.3390 175.4671 53 K 3.8957 8.6284 127.9100 58.7724 31.9433 176.7194 54 G 3.8918 8.9941 115.2848 45.3194 0.0000 172.4442 55 S 4.4131 8.0325 115.2239 57.2432 63.1978 174.6720 56 K 3.9750 8.4959 122.4842 58.9187 31.9923 177.6113 57 A 4.2395 7.4510 119.1136 54.1230 18.4555 177.1502 58 D 4.8203 7.9721 114.7713 54.3715 41.3873 176.2917 59 A 4.5609 7.9815 117.8022 51.5720 19.2468 179.0036 60 L 4.3262 7.4715 118.7980 55.9519 43.0230 173.2330 61 E 3.9621 8.9376 117.9261 56.8095 28.1611 173.4742 62 H 4.6756 7.1842 113.5162 55.2121 31.2054 173.9114 63 H 4.7956 8.7470 119.9716 56.0363 30.3861 173.8964 64 H 4.8877 8.4982 112.2656 57.6336 33.7689 174.7607 65 H 3.7822 8.0273 115.7970 54.9889 28.8453 174.8107 66 H 3.7723 7.6222 111.7886 57.4556 29.6122 174.3382 67 H 4.5202 8.6224 112.9844 56.3605 28.7086 174.8008 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 M 8.15 4.46 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 2 T 7.78 3.94 4.24 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 1.21 0.00 0.00 3 I 8.85 3.17 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.36 0.90 0.00 0.00 4 Q 7.64 3.27 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 5 A 7.99 4.48 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.56 0.00 1.87 1.95 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 7 E 8.71 4.23 0.00 1.94 1.74 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 2.16 2.22 0.00 8 T 8.13 4.61 4.19 0.00 0.00 0.00 0.00 0.00 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 9 K 8.99 4.57 0.00 1.56 1.77 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.34 7.81 10 I 8.58 4.77 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.41 1.00 0.00 0.00 11 V 8.80 4.35 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 0.90 0.00 0.00 1.04 0.00 0.00 12 D 8.80 4.32 0.00 2.69 2.68 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 13 K 7.62 4.62 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.53 7.81 14 S 8.53 4.46 0.00 3.80 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 15 R 8.00 4.82 0.00 2.04 2.29 0.00 2.98 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 16 V 8.77 3.99 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.82 0.00 0.00 17 A 7.54 3.43 -0.37 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 18 C 8.57 4.07 0.00 2.80 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 19 D 9.45 4.39 0.00 2.20 2.05 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 20 G 7.18 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 21 G 8.72 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 0.00 0.00 0.00 22 E 9.31 4.22 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 23 G 8.77 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.88 4.23 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 25 L 8.25 4.85 0.00 1.93 1.77 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.71 3.81 0.00 3.22 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.44 0.00 2.16 2.11 0.00 3.76 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 29 R 7.38 3.72 0.00 2.03 2.14 0.00 3.51 0.00 0.00 3.50 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 30 V 8.36 4.62 2.13 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 0.69 0.00 0.00 0.94 0.00 0.00 31 W 9.15 5.05 0.00 3.09 3.18 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 32 L 8.70 4.76 0.00 1.63 1.61 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.63 4.73 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 34 I 8.59 4.13 1.94 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 1.38 0.83 0.93 0.00 0.00 35 P 0.00 4.46 0.00 2.19 2.08 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 36 E 8.85 4.18 0.00 2.04 2.05 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 2.41 2.34 0.00 37 D 8.06 4.50 0.00 2.57 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 38 T 7.79 4.31 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 0.50 0.00 0.00 39 G 9.50 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 0.00 0.00 0.00 0.00 40 W 7.33 6.30 0.00 3.42 3.04 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 0.00 0.00 0.00 0.00 41 V 8.65 4.71 2.12 0.00 0.00 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 1.00 0.00 0.00 42 E 9.18 5.30 0.00 2.06 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 2.26 2.65 0.00 43 C 8.61 4.84 0.00 3.06 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 44 P 0.00 4.51 0.00 1.93 2.05 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.86 0.00 45 Y 7.44 4.27 0.00 2.96 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 46 C 8.07 4.38 0.00 3.11 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 47 D 8.24 4.58 0.00 2.96 2.66 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 48 C 7.46 4.23 0.00 2.85 2.18 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 49 K 8.74 4.39 0.00 1.68 1.59 0.00 1.31 0.00 0.00 1.40 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 50 Y 9.10 4.95 0.00 2.98 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 51 V 8.80 4.88 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 1.22 0.00 0.00 1.00 0.00 0.00 52 L 9.01 4.45 0.00 1.83 1.57 1.00 0.52 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 53 K 8.63 3.90 0.00 1.95 1.78 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 54 G 8.99 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 0.00 0.00 0.00 55 S 8.03 4.41 0.00 3.90 3.92 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 0.00 0.00 0.00 56 K 8.50 3.97 0.00 1.78 1.87 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 57 A 7.45 4.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.82 0.00 2.77 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 59 A 7.98 4.56 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 60 L 7.47 4.33 0.00 1.63 1.67 0.96 0.95 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 61 E 8.94 3.96 0.00 2.02 1.94 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 0.00 2.19 2.20 0.00 62 H 7.18 4.68 0.00 3.23 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.75 4.80 0.00 3.15 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.50 4.89 0.00 3.36 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.03 3.78 0.00 3.17 3.38 0.00 6.07 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.62 3.77 0.00 3.30 3.35 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.62 4.52 0.00 3.29 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00