NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8807 8.3393 109.7364 45.5373 0.0000 173.7030 2 S 4.3337 8.3132 114.0734 55.3055 63.4801 171.3672 3 S 4.5502 8.7340 120.1789 57.5060 66.4375 173.5324 4 G 3.6840 10.4213 119.0737 45.4204 0.0000 174.4001 5 S 3.7060 8.0895 113.9993 58.4577 59.7538 170.0031 6 S 4.5774 7.5617 112.6087 56.7104 66.1261 174.2527 7 G 3.8420 8.5684 109.0137 46.5167 0.0000 172.0179 8 H 4.9063 8.3221 120.1912 53.2292 33.1297 172.7736 9 L 4.1342 7.6557 122.5257 55.0017 41.6487 176.2662 10 N 4.9097 8.1701 115.0497 52.0119 39.8479 174.2479 11 T 4.3817 8.3304 116.3352 61.3712 69.2644 174.8049 12 C 4.5833 8.0817 121.1504 57.3538 26.8150 173.9608 13 S 4.5324 8.0812 117.7792 58.3053 63.4280 174.4872 14 F 4.9132 7.7976 114.5709 55.9148 40.8525 173.2913 15 N 4.1005 8.9181 116.9785 55.0740 36.8979 172.8144 16 V 4.7043 7.4642 108.7184 59.6054 36.2800 175.4689 17 I 4.8039 7.9768 113.0587 58.5253 40.7706 173.5038 18 P 4.4182 0.0000 0.0000 62.7135 32.6501 175.1890 19 C 4.3925 8.1884 120.6851 58.1480 32.1040 173.0070 20 P 4.3932 0.0000 0.0000 65.3914 31.2217 177.1732 21 N 4.3885 7.9910 115.3958 54.3571 38.5670 175.5823 22 R 4.0512 7.9200 113.6974 56.3770 28.1795 175.4606 23 C 4.5981 7.7125 112.1124 56.6033 31.7177 172.7332 24 P 4.6486 0.0000 0.0000 61.9263 29.2220 176.1188 25 M 4.6187 7.4420 118.7605 54.9970 36.5456 174.4835 26 K 4.7910 8.5472 122.9442 54.6345 34.4179 174.1692 27 L 4.5291 8.1558 119.0208 53.5901 44.7801 179.1520 28 S 4.6448 6.9457 113.6368 59.4742 67.3731 177.1100 29 R 4.5831 8.2230 121.9249 56.7863 30.0547 177.5123 30 R 4.5217 7.8220 111.1206 57.2072 33.1180 175.2566 31 D 4.7089 7.9828 116.1060 53.8794 41.4381 177.8500 32 L 3.9449 7.9308 123.5104 57.6900 42.1418 177.0276 33 P 4.4076 0.0000 0.0000 64.2363 31.4028 176.2684 34 A 4.6498 7.5811 121.0410 52.2759 19.7468 176.2103 35 H 4.7204 8.1511 117.5724 57.8382 31.3091 176.0665 36 L 4.1743 7.8038 115.9100 55.8548 41.7276 177.6515 37 Q 4.2190 7.8434 120.2777 58.1922 29.3895 177.3911 38 H 5.0339 7.8463 111.1155 55.6199 28.9466 173.1992 39 D 4.7385 8.2663 116.2411 54.5571 42.5996 174.7175 40 C 4.4788 7.6985 119.8121 56.6441 33.4548 171.7458 41 P 4.3660 0.0000 0.0000 66.0432 31.4622 178.1680 42 K 4.4141 7.9027 118.1786 55.6748 32.0467 178.8045 43 R 3.7378 7.2305 118.9171 57.9012 29.6118 175.7596 44 R 3.5822 8.0485 114.6968 56.2025 26.8092 177.8359 45 L 4.1739 7.1239 117.2505 53.2375 44.4718 175.6373 46 K 4.7622 8.1205 124.4840 53.9255 34.7812 175.5458 47 C 4.5856 8.6758 124.8779 59.9622 32.0819 173.8639 48 E 4.2506 8.6649 122.6154 56.9796 27.6295 176.2359 49 F 4.7219 7.2847 115.8330 58.9653 41.9214 177.0382 50 C 4.2722 8.4399 120.2324 59.3073 30.7765 173.9485 51 G 4.3415 7.5005 107.6369 46.1873 0.0000 173.0474 52 C 4.4023 7.4925 113.1355 58.2416 31.8952 173.9580 53 D 4.5139 8.1771 123.8558 54.1422 41.1897 176.3333 54 F 5.1476 8.4321 119.1965 56.9715 44.2557 173.4448 55 S 4.6704 8.7120 115.6707 57.7795 64.9970 175.3682 56 G 3.7401 8.7470 105.5620 47.8314 0.0000 175.2932 57 E 4.0028 8.3492 119.6526 57.8550 30.0264 177.5743 58 A 4.3297 7.7961 119.9987 54.5567 19.7491 178.1782 59 Y 4.0841 7.9473 116.4092 61.0181 38.5580 178.2162 60 E 4.1940 7.8579 119.8465 59.0654 29.6268 178.3900 61 S 4.3967 7.7652 110.7986 59.3085 63.3981 173.9715 62 H 4.3909 8.6729 121.4727 56.8049 30.1348 176.3670 63 E 3.6302 7.7644 119.2354 58.6107 29.5585 177.3993 64 G 3.8740 7.8868 105.4146 45.6524 0.0000 173.5809 65 M 4.4275 6.9525 119.3970 53.6469 31.2991 174.5044 66 C 4.2091 7.2602 119.3277 56.8714 33.5813 171.7785 67 P 4.3741 0.0000 0.0000 65.0892 31.7747 176.6900 68 Q 4.7343 7.6779 116.0903 54.1471 28.7478 174.9012 69 E 3.7801 8.0678 117.4722 58.3739 30.0289 177.3266 70 S 4.5602 7.4136 109.6276 58.7557 65.2063 173.2614 71 S 4.0826 8.0574 113.6104 59.0748 62.7596 174.0699 72 G 4.3728 8.2209 116.8240 43.4488 0.0000 170.2242 73 P 4.4751 0.0000 0.0000 62.4730 31.6587 176.0522 74 S 4.0922 8.2787 115.3740 60.3082 63.1056 175.2525 75 S 4.5494 9.0726 124.9271 58.5821 63.0159 174.3784 76 G 3.4859 8.6047 114.4625 45.7965 0.0000 170.7150 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 3.88 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 0.00 0.00 0.00 2 S 8.31 4.33 0.00 4.00 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 3 S 8.73 4.55 0.00 3.79 3.71 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 4 G 10.42 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 5 S 8.09 3.71 0.00 4.05 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 6 S 7.56 4.58 0.00 3.94 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 7 G 8.57 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 0.00 0.00 0.00 8 H 8.32 4.91 0.00 3.04 3.18 0.00 5.96 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.66 4.13 0.00 1.48 1.60 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.17 4.91 0.00 2.77 2.74 0.00 0.00 5.83 7.71 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 11 T 8.33 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 12 C 8.08 4.58 0.00 3.01 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 13 S 8.08 4.53 0.00 3.96 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 14 F 7.80 4.91 0.00 3.15 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 15 N 8.92 4.10 0.00 2.75 2.58 0.00 0.00 6.70 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 16 V 7.46 4.70 2.09 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 0.75 0.00 0.00 0.90 0.00 0.00 17 I 7.98 4.80 1.86 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 1.36 0.94 0.89 0.00 0.00 18 P 0.00 4.42 0.00 2.09 2.09 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 19 C 8.19 4.39 0.00 3.32 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 20 P 0.00 4.39 0.00 2.22 2.17 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 21 N 7.99 4.39 0.00 2.72 2.90 0.00 0.00 7.04 7.63 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 22 R 7.92 4.05 0.00 2.09 2.23 0.00 3.04 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 23 C 7.71 4.60 0.00 3.11 2.97 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 0.00 24 P 0.00 4.65 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 25 M 7.44 4.62 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 26 K 8.55 4.79 0.00 1.68 1.76 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.40 7.81 27 L 8.16 4.53 0.00 1.53 1.52 0.71 0.64 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 28 S 6.95 4.64 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 4.58 0.00 1.74 1.88 0.00 3.35 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 30 R 7.82 4.52 0.00 1.88 1.93 0.00 3.06 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 31 D 7.98 4.71 0.00 2.71 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 32 L 7.93 3.94 0.00 1.79 1.66 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.41 0.00 2.22 2.16 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 34 A 7.58 4.65 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 35 H 8.15 4.72 0.00 3.29 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.80 4.17 0.00 1.67 1.68 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.84 4.22 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.46 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 38 H 7.85 5.03 0.00 3.41 3.28 0.00 5.54 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.27 4.74 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.70 4.48 0.00 2.60 2.62 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 0.00 0.00 0.00 0.00 41 P 0.00 4.37 0.00 2.25 2.29 0.00 3.76 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 2.08 2.01 0.00 42 K 7.90 4.41 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.36 7.81 43 R 7.23 3.74 0.00 1.81 2.11 0.00 3.18 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 44 R 8.05 3.58 0.00 1.96 2.06 0.00 3.10 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 45 L 7.12 4.17 0.00 1.36 0.76 0.60 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.12 4.76 0.00 1.64 1.64 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.37 7.81 47 C 8.68 4.59 0.00 3.37 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 48 E 8.66 4.25 0.00 1.30 1.67 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 0.00 2.25 2.17 0.00 49 F 7.28 4.72 0.00 3.10 3.16 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 0.00 50 C 8.44 4.27 0.00 3.22 3.25 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 0.00 51 G 7.50 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 0.00 0.00 0.00 0.00 52 C 7.49 4.40 0.00 2.46 2.35 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 53 D 8.18 4.51 0.00 2.39 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 5.15 0.00 3.13 2.91 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 55 S 8.71 4.67 0.00 3.85 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 56 G 8.75 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 57 E 8.35 4.00 0.00 2.09 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 2.33 2.45 0.00 58 A 7.80 4.33 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 59 Y 7.95 4.08 0.00 3.23 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 60 E 7.86 4.19 0.00 2.04 1.97 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 2.57 2.49 0.00 61 S 7.77 4.40 0.00 3.93 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 62 H 8.67 4.39 0.00 2.93 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.76 3.63 0.00 2.09 1.91 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 2.28 2.32 0.00 64 G 7.89 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 65 M 6.95 4.43 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 66 C 7.26 4.21 0.00 2.86 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.37 0.00 2.27 2.20 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 68 Q 7.68 4.73 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.19 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 69 E 8.07 3.78 0.00 1.58 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 2.20 2.21 0.00 70 S 7.41 4.56 0.00 3.82 3.80 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 0.00 0.00 0.00 0.00 71 S 8.06 4.08 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.22 4.37 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 0.00 73 P 0.00 4.48 0.00 2.20 2.08 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 74 S 8.28 4.09 0.00 3.89 3.90 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 75 S 9.07 4.55 0.00 3.94 3.88 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 76 G 8.60 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 0.00 0.00 0.00