NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4269 8.1627 120.6041 55.4300 34.3133 173.4708 2 Q 4.8439 8.3373 125.0343 52.4042 31.8949 172.6235 3 I 4.7228 9.1021 120.1851 59.0343 42.1742 173.5903 4 F 5.3898 8.8741 121.0064 55.7668 42.5639 174.8251 5 V 4.8918 8.7629 120.9674 61.1676 34.7793 174.3830 6 K 4.8606 9.0465 128.4804 55.8631 33.4683 177.5000 7 T 4.7086 8.9393 116.7911 60.2177 70.4057 175.5655 8 L 4.0789 8.4000 120.6559 57.3985 41.5587 178.3273 9 T 4.2175 7.5344 106.0586 61.4483 69.2418 175.7560 10 G 3.9281 8.0815 111.3286 45.0881 0.0000 173.8913 11 K 4.2245 7.5503 119.6839 56.4166 32.9354 175.1307 12 T 5.2689 8.2918 119.0445 61.6697 70.7793 173.6631 13 I 4.8255 8.7937 119.4675 59.2081 41.1916 174.2737 14 T 5.0541 8.4865 112.7317 59.9921 71.1924 173.3121 15 L 4.7961 8.6389 123.6552 52.8895 45.8906 174.9162 16 E 4.8366 8.6938 123.7146 55.3426 30.6590 175.2905 17 V 4.6677 8.9479 120.0588 60.3022 36.4580 173.7780 18 E 4.7124 9.4009 119.4833 54.1621 33.4624 175.7272 19 P 4.1648 0.0000 0.0000 65.9224 31.4471 178.3951 20 S 4.4453 7.8738 109.0645 58.6730 63.8040 174.0224 21 D 4.4026 8.0242 123.3895 54.8565 41.2454 176.3203 22 T 4.7544 8.2055 113.8699 61.0426 71.4860 176.0167 23 I 3.7552 8.4050 122.6830 64.3801 37.0103 178.4610 24 E 3.9277 8.2869 120.3768 59.3393 29.5029 178.6278 25 N 4.3189 8.0219 116.3357 56.3204 38.5673 177.5692 26 V 3.5803 7.7184 119.6211 65.9801 31.5822 178.2672 27 K 4.3317 8.6955 119.6580 58.7712 31.8166 179.2191 28 A 3.9843 7.9203 121.2356 55.1138 18.2988 179.8581 29 K 3.9556 8.0222 116.9295 59.6439 32.1068 179.7287 30 I 3.7544 7.9217 120.2879 64.2404 36.8866 178.2318 31 Q 4.2569 8.2197 121.9747 58.7777 28.6538 178.1065 32 D 4.3415 7.8536 118.9240 57.1711 40.9082 178.7456 33 K 4.1222 7.9313 117.9567 59.2345 32.3232 178.5973 34 E 4.5146 8.6642 115.8807 55.5342 30.5233 177.3717 35 G 3.9302 8.2294 106.9411 45.2358 0.0000 173.4088 36 I 3.9848 7.4027 121.2861 59.9119 38.1150 175.2594 37 A 4.1661 8.6318 128.0590 52.2362 19.0855 177.8158 38 A 4.0044 8.9791 126.2964 55.3777 18.5223 179.4225 39 D 4.5274 8.0812 112.7800 55.3961 39.8425 176.5730 40 Q 4.5716 8.2324 118.7112 55.8571 30.1916 174.6526 41 Q 4.8960 8.0726 119.8468 54.3631 31.1935 174.6677 42 R 4.6819 8.6417 122.7282 54.5696 33.4335 173.6792 43 L 5.3175 8.5623 125.4613 53.1278 44.8098 175.3621 44 I 5.1012 8.6475 122.5495 59.6612 41.5676 174.3838 45 F 5.0347 8.9862 127.0172 57.3016 43.0398 174.2365 46 A 3.4327 9.0842 128.7755 53.1301 15.9390 177.5028 47 G 3.8630 8.2605 104.6342 46.9921 0.0000 173.9470 48 K 4.4711 8.1085 120.0135 54.1553 33.8882 175.1395 49 Q 4.4473 8.5380 125.3312 55.6988 29.6150 174.9346 50 L 3.9079 8.4764 127.8115 54.0479 42.7004 176.3139 51 E 4.4926 9.4749 124.2281 55.1433 31.1081 176.9861 52 D 4.4660 9.1794 124.1062 57.7970 40.9816 179.0820 53 G 3.8393 8.0212 104.0164 46.4094 0.0000 173.6054 54 R 4.3690 7.9931 120.0360 55.2062 31.7991 175.7733 55 T 4.9805 8.3030 110.1314 59.8676 71.0542 175.9845 56 L 4.1384 8.4670 121.9418 57.9718 42.0610 180.0553 57 S 4.0782 8.3176 113.3439 61.3052 62.4724 175.8748 58 D 4.2470 7.7663 119.1891 56.9542 40.5290 176.7796 59 Y 4.6414 7.2888 112.8499 56.9629 38.0667 174.8132 60 N 4.1668 7.9576 117.0619 54.5506 37.8926 174.1681 61 I 3.5179 7.8095 117.8993 60.2436 37.6632 176.0608 62 Q 4.5648 8.2705 124.9950 53.4074 31.1347 175.0303 63 K 4.0681 8.2667 118.0755 58.3466 32.2543 177.4039 64 E 3.8861 9.4067 121.7338 56.8173 27.8698 174.9606 65 S 4.6101 7.8863 115.7567 58.9483 64.3355 173.1448 66 T 5.1734 8.7065 118.3657 62.0403 70.5441 173.7112 67 L 5.0191 9.1952 126.4519 53.4579 45.0499 174.9881 68 H 5.0982 9.0735 118.9989 54.0166 31.2989 173.0696 69 L 4.9191 8.7534 126.3909 54.1771 43.1798 176.0036 70 V 4.6478 8.8192 118.7192 59.0929 36.4745 174.4056 71 L 4.3679 8.4934 124.3764 55.0882 42.8020 175.9951 72 R 4.4494 8.3993 127.2840 54.4532 31.0159 175.9737 73 L 4.1928 8.4008 125.6424 55.0801 41.7367 177.1853 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 8.16 4.43 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 2 Q 8.34 4.84 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 1.70 2.12 0.00 3 I 9.10 4.72 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.76 0.00 0.00 4 F 8.87 5.39 0.00 3.05 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 5 V 8.76 4.89 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 9.05 4.86 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.59 7.81 7 T 8.94 4.71 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 1.23 0.00 0.00 8 L 8.40 4.08 0.00 1.66 1.79 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.53 4.22 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 1.22 0.00 0.00 10 G 8.08 3.93 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 0.00 0.00 0.00 11 K 7.55 4.22 0.00 1.86 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 T 8.29 5.27 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 1.25 0.00 0.00 13 I 8.79 4.83 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.99 0.00 0.00 14 T 8.49 5.05 4.17 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 0.00 0.00 0.00 1.48 0.00 0.00 15 L 8.64 4.80 0.00 1.48 1.49 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.84 0.00 1.91 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 2.20 2.35 0.00 17 V 8.95 4.67 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 0.67 0.00 0.00 0.92 0.00 0.00 18 E 9.40 4.71 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 19 P 0.00 4.16 0.00 2.15 2.09 0.00 3.56 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 2.10 2.07 0.00 20 S 7.87 4.45 0.00 3.96 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 21 D 8.02 4.40 0.00 2.90 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 22 T 8.21 4.75 4.49 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 1.21 0.00 0.00 23 I 8.41 3.76 2.13 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 1.79 1.14 0.92 0.00 0.00 24 E 8.29 3.93 0.00 2.15 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 2.31 2.36 0.00 25 N 8.02 4.32 0.00 3.02 2.84 0.00 0.00 6.67 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.72 3.58 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 1.01 0.00 0.00 0.97 0.00 0.00 27 K 8.70 4.33 0.00 1.97 1.85 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.49 7.81 28 A 7.92 3.98 1.40 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 0.00 0.00 29 K 8.02 3.96 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.92 3.75 2.16 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 1.41 0.68 0.95 0.00 0.00 31 Q 8.22 4.26 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 D 7.85 4.34 0.00 2.88 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 33 K 7.93 4.12 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.62 7.81 34 E 8.66 4.51 0.00 1.96 1.99 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 2.27 2.45 0.00 35 G 8.23 3.93 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 0.00 0.00 0.00 36 I 7.40 3.98 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.91 0.00 0.00 37 A 8.63 4.17 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.98 4.00 1.32 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 0.00 0.00 39 D 8.08 4.53 0.00 2.80 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 Q 8.23 4.57 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 41 Q 8.07 4.90 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 8.64 4.68 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 43 L 8.56 5.32 0.00 1.58 1.50 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.65 5.10 1.92 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 1.12 1.13 0.96 0.00 0.00 45 F 8.99 5.03 0.00 3.01 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 46 A 9.08 3.43 0.70 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 0.00 0.00 47 G 8.26 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.11 4.47 0.00 1.86 1.73 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.59 7.81 49 Q 8.54 4.45 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 50 L 8.48 3.91 0.00 1.41 1.25 0.77 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.47 4.49 0.00 2.02 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 2.41 2.51 0.00 52 D 9.18 4.47 0.00 2.76 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 53 G 8.02 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 54 R 7.99 4.37 0.00 2.17 1.56 0.00 3.12 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 55 T 8.30 4.98 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 1.24 0.00 0.00 56 L 8.47 4.14 0.00 1.86 1.69 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.32 4.08 0.00 3.90 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 58 D 7.77 4.25 0.00 2.57 2.27 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 0.00 59 Y 7.29 4.64 0.00 3.00 3.03 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 60 N 7.96 4.17 0.00 2.95 3.06 0.00 0.00 7.10 7.41 0.00 0.00 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 I 7.81 3.52 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.56 0.00 0.00 62 Q 8.27 4.56 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 63 K 8.27 4.07 0.00 1.74 1.73 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 E 9.41 3.89 0.00 2.21 2.39 0.00 0.00 0.00 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 2.51 0.00 65 S 7.89 4.61 0.00 3.74 3.77 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 66 T 8.71 5.17 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 1.19 0.00 0.00 67 L 9.20 5.02 0.00 1.57 1.56 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.07 5.10 0.00 3.07 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.75 4.92 0.00 1.64 1.77 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.82 4.65 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 0.83 0.00 0.00 0.98 0.00 0.00 71 L 8.49 4.37 0.00 1.64 1.57 0.92 0.86 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 72 R 8.40 4.45 0.00 1.87 1.85 0.00 3.47 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 73 L 8.40 4.19 0.00 1.68 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00