NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6069 8.3649 120.5305 54.2563 42.9824 176.2243 4 L 4.1804 7.7979 116.3639 53.3430 42.9321 176.1361 5 G 3.7789 8.6436 109.2827 46.6623 0.0000 173.0603 6 I 4.2326 8.1658 122.7223 61.3691 38.0015 175.5070 7 T 5.2221 8.8300 116.6321 60.2463 72.2291 172.6556 8 A 4.6893 8.7351 122.6150 51.1848 23.5701 175.3341 9 V 4.7323 8.2748 111.8493 59.1270 35.0489 175.6297 10 A 3.7015 8.8836 127.4085 52.1396 18.6155 178.1840 11 L 3.8853 8.6831 122.7439 56.2128 42.7330 176.2836 12 Y 5.0925 7.3030 113.1802 55.8320 42.2914 175.0468 13 D 5.0780 8.9600 120.2571 54.9633 42.0916 175.8628 14 Y 4.6944 8.8404 122.8946 56.4366 42.6559 173.2114 15 Q 4.6225 7.5620 125.1498 53.4577 30.7451 175.3390 16 A 4.0583 8.5007 126.4804 52.6790 18.2777 177.5460 17 A 4.0986 9.7379 125.8178 53.8951 19.5446 176.9196 18 G 4.1533 7.4231 102.8022 44.6405 0.0000 172.7829 19 D 4.4655 8.5982 118.1011 56.7358 41.1226 177.4025 20 D 4.5615 8.0743 117.2945 54.2493 40.0530 175.2783 21 E 5.4700 7.6693 118.9517 54.7528 32.3462 175.0338 22 I 4.7642 8.5035 114.1525 59.4777 40.4720 174.9927 23 S 5.0210 8.3520 118.7483 57.3228 65.6358 173.0701 24 F 5.0199 8.0985 114.9591 56.6912 41.4890 172.3725 25 D 5.4689 9.7227 119.4962 51.5118 44.4767 174.2480 26 P 4.5343 0.0000 0.0000 64.4855 31.6799 177.1245 27 D 4.6994 8.9303 120.9073 54.3819 39.9501 174.7043 28 D 4.6125 7.7649 119.3149 54.3326 42.2427 175.0977 29 I 4.7337 8.1304 121.2258 59.7786 39.3789 175.0462 30 I 4.6617 8.6016 128.0238 59.7665 39.5589 175.1634 31 T 4.8336 8.9430 117.1881 59.0744 72.3705 173.3432 32 N 4.2874 8.9651 116.6772 54.1879 36.7106 175.5713 33 I 4.1814 7.8972 117.9769 61.4192 38.0856 176.0691 34 E 4.5046 9.6012 125.5830 55.0382 31.6661 176.6619 35 M 4.0624 8.0250 128.1218 54.0670 30.5769 177.2607 36 I 3.9053 7.6923 107.6083 60.7875 38.1422 176.1427 37 D 4.6054 7.4594 120.4366 54.2607 44.5696 176.2819 38 D 4.6377 9.0426 123.5736 55.5756 40.0604 177.2136 39 G 3.7726 8.4030 106.7447 46.2682 0.0000 173.6099 40 W 4.9413 8.2075 119.3430 54.6061 32.0094 175.6147 41 W 5.0364 7.8914 124.9148 55.2613 31.5375 175.0516 42 R 5.1026 8.9603 120.5940 54.9418 33.5330 174.7839 43 G 4.2059 7.9195 108.8553 46.6479 0.0000 171.2700 44 V 5.2152 8.2042 119.6920 61.3279 34.2731 175.0484 45 C 4.8381 9.1881 127.4732 58.3166 35.0280 174.0371 46 K 3.8044 9.8317 126.7275 57.5985 29.2735 175.9889 47 G 4.0364 8.2846 104.8263 45.5809 0.0000 173.6015 48 R 4.7066 7.9151 119.0567 54.6146 32.1109 174.5185 49 Y 5.2100 8.9210 120.8608 54.9845 41.7826 175.8013 50 G 3.7694 7.0688 112.4956 46.1499 0.0000 171.1097 51 L 5.3671 7.9445 119.5398 54.1145 43.9242 176.0585 52 F 5.0690 8.6032 115.2521 54.9499 42.0388 171.5986 53 P 3.3245 0.0000 0.0000 62.0128 30.9173 177.4048 54 A 2.7987 7.8476 129.0989 54.6365 18.1489 178.5370 55 N 4.4933 7.5458 110.3661 54.3884 37.9287 175.1372 56 Y 4.5448 8.1777 116.9249 58.7454 38.6266 175.0112 57 V 4.7593 7.3118 111.2335 59.2556 36.0902 174.5154 58 E 4.6832 8.6633 122.9952 54.0434 31.9333 175.2629 59 L 4.5772 8.8000 126.9992 55.6567 42.6020 177.0453 60 R 4.2594 8.4641 120.4904 56.0348 33.4006 174.6759 61 Q 4.4718 8.6822 124.3505 55.3719 28.9647 175.6497 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 3 D 8.36 4.61 0.00 2.66 2.80 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 4 L 7.80 4.18 0.00 1.78 1.69 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.64 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 0.00 0.00 0.00 6 I 8.17 4.23 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.76 0.00 0.00 7 T 8.83 5.22 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 8 A 8.74 4.69 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 9 V 8.27 4.73 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 0.63 0.00 0.00 0.90 0.00 0.00 10 A 8.88 3.70 0.61 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 11 L 8.68 3.89 0.00 0.33 0.37 0.68 0.52 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 12 Y 7.30 5.09 0.00 2.70 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 13 D 8.96 5.08 0.00 2.69 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 14 Y 8.84 4.69 0.00 3.04 1.77 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 15 Q 7.56 4.62 0.00 1.66 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 16 A 8.50 4.06 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 17 A 9.74 4.10 1.35 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 18 G 7.42 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.60 4.47 0.00 2.69 2.76 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 0.00 0.00 0.00 20 D 8.07 4.56 0.00 2.78 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 21 E 7.67 5.47 0.00 2.12 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 0.00 2.62 2.21 0.00 22 I 8.50 4.76 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 1.02 0.00 0.00 23 S 8.35 5.02 0.00 3.75 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 24 F 8.10 5.02 0.00 3.13 3.13 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 0.00 0.00 0.00 0.00 25 D 9.72 5.47 0.00 2.61 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 26 P 0.00 4.53 0.00 2.05 1.98 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 27 D 8.93 4.70 0.00 2.80 2.86 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 28 D 7.76 4.61 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 29 I 8.13 4.73 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.92 0.00 0.00 30 I 8.60 4.66 1.65 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.25 0.69 0.00 0.00 31 T 8.94 4.83 4.43 0.00 0.00 0.00 0.00 0.00 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 32 N 8.97 4.29 0.00 2.87 2.95 0.00 0.00 7.05 8.04 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 33 I 7.90 4.18 1.86 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.66 0.00 0.00 34 E 9.60 4.50 0.00 1.99 1.87 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 2.27 2.35 0.00 35 M 8.03 4.06 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.81 0.00 36 I 7.69 3.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.96 0.00 0.00 37 D 7.46 4.61 0.00 2.75 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 38 D 9.04 4.64 0.00 2.84 2.86 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 39 G 8.40 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 0.00 0.00 0.00 40 W 8.21 4.94 0.00 3.04 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 41 W 7.89 5.04 0.00 2.25 2.69 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 42 R 8.96 5.10 0.00 1.81 1.73 0.00 3.26 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.23 0.00 43 G 7.92 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.20 5.22 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 1.06 0.00 0.00 1.19 0.00 0.00 45 C 9.19 4.84 0.00 3.00 2.80 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 46 K 9.83 3.80 0.00 1.94 1.85 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.46 7.81 47 G 8.28 4.04 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 0.00 0.00 0.00 48 R 7.92 4.71 0.00 2.02 1.92 0.00 3.29 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 49 Y 8.92 5.21 0.00 2.93 2.86 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 50 G 7.07 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 0.00 0.00 0.00 51 L 7.94 5.37 0.00 1.64 1.83 0.79 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.60 5.07 0.00 3.05 3.22 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 0.00 0.00 0.00 0.00 53 P 0.00 3.32 0.00 1.27 1.16 0.00 2.74 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 54 A 7.85 2.80 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.55 4.49 0.00 2.83 2.82 0.00 0.00 6.00 7.55 0.00 0.00 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 Y 8.18 4.54 0.00 3.38 3.41 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 0.00 0.00 0.00 0.00 57 V 7.31 4.76 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 0.38 0.00 0.00 1.36 0.00 0.00 58 E 8.66 4.68 0.00 1.93 1.71 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 2.18 2.24 0.00 59 L 8.80 4.58 0.00 1.63 1.62 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.46 4.26 0.00 1.77 1.74 0.00 3.22 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 61 Q 8.68 4.47 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00