NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4818 8.1593 117.3243 62.9505 69.9401 173.2860 2 P 4.4808 0.0000 0.0000 61.5609 33.4986 173.4442 3 D 4.3391 8.7228 121.4003 55.0452 41.3012 177.0287 4 C 4.7052 9.0144 124.2163 57.4415 42.7498 173.4774 5 V 4.7051 7.2494 116.7941 60.1854 35.1064 173.5193 6 T 4.9586 8.9920 117.7491 61.1325 72.0669 174.4236 7 G 3.8122 7.6973 111.6945 46.1701 0.0000 171.9223 8 K 4.5847 8.1412 118.9419 55.2748 33.3161 176.8057 9 V 3.9649 8.0231 120.6178 61.9838 31.1911 175.2189 10 E 4.2775 9.2613 130.6526 59.1818 29.9182 176.2810 11 Y 4.8674 6.8606 114.3624 56.6167 40.6665 172.8493 12 T 4.7688 8.8479 109.9729 59.7903 72.1184 172.9949 13 K 4.5781 8.2059 123.4964 54.8436 35.7951 174.0239 14 Y 4.6789 8.6626 128.2600 56.5134 39.8945 174.5797 15 N 4.7811 8.3601 124.3357 51.9607 40.3051 175.9268 16 D 4.4056 8.8532 120.6891 57.3198 41.4347 176.6936 17 D 4.6934 7.9688 116.3564 53.2374 39.4514 176.5248 18 D 4.4931 8.0948 117.3734 55.2291 39.1555 173.8565 19 T 4.6579 7.7494 110.1661 60.3888 71.5160 173.2409 20 F 5.1046 8.8578 125.1794 56.9375 41.9339 174.5040 21 T 5.2760 8.1857 121.8299 62.0025 72.0724 173.4799 22 V 4.7781 9.1032 116.5523 59.5197 36.9540 174.6507 23 K 4.4133 7.9942 123.1604 53.6458 34.5980 175.3065 24 V 4.4795 8.0337 128.2903 60.9429 33.6929 175.1356 25 G 4.0477 8.8558 120.1357 46.8035 0.0000 174.1469 26 D 4.5762 8.7246 123.3828 53.6689 40.0860 176.2028 27 K 4.6045 7.3815 119.9043 54.7846 35.2299 175.1213 28 E 4.8443 8.6750 123.3667 54.7007 32.0500 174.4052 29 L 5.4758 8.6963 127.0856 52.8385 45.7466 175.7582 30 F 5.5462 8.7017 115.6890 55.4775 41.9180 173.6202 31 T 4.4424 9.1836 113.8928 59.7326 70.9025 173.8097 32 N 5.0668 8.6342 124.6988 52.6211 38.2578 174.7931 33 R 4.3820 7.5961 119.9127 55.5498 30.5748 177.4559 34 W 4.4070 9.0057 124.1220 60.0274 29.1166 178.2871 35 N 4.6405 8.3261 111.0072 54.1614 36.7359 175.8246 36 L 4.4062 7.8386 119.4719 56.6882 41.8894 178.6435 37 Q 3.0713 7.9773 118.6883 58.7013 28.5975 179.0596 38 S 4.0285 7.7826 115.5221 61.4548 63.0413 176.3768 39 L 3.8852 7.8416 121.1521 57.9786 41.3567 179.5665 40 L 4.3245 8.2180 118.8240 57.7740 41.5177 179.3430 41 L 4.1831 7.9316 120.2213 58.0708 41.9168 179.1504 42 S 4.1675 8.1249 114.7500 61.0623 62.7795 176.3205 43 A 4.0527 8.1880 123.7160 55.1320 18.2984 179.2467 44 Q 3.9251 8.5420 118.3804 59.5369 28.9600 178.5382 45 I 3.7832 7.8014 119.7668 64.5583 37.3389 177.7727 46 T 4.3986 8.0046 107.1696 60.9315 68.8843 174.6782 47 G 3.9493 7.8126 108.3946 47.0614 0.0000 174.1183 48 M 4.4127 7.9346 118.5911 55.4020 33.3107 175.8802 49 T 4.6991 8.7780 117.0964 62.2419 70.7141 174.5661 50 V 4.7849 9.0472 119.8382 59.7467 35.4936 175.1029 51 T 4.7499 8.2092 119.4171 61.8475 71.5076 173.2342 52 I 4.1399 8.1802 128.6925 60.3650 38.5351 175.1783 53 K 4.9139 8.1418 127.2045 55.1710 33.4831 175.8097 54 T 4.2431 7.8939 116.7292 61.8186 70.3584 173.0131 55 N 4.5114 9.1186 123.8090 55.1488 39.4862 175.1037 56 A 4.4833 7.8207 122.0690 52.4448 19.1483 177.4558 57 C 4.8957 7.9705 121.2441 56.7846 40.3651 171.4891 58 H 4.6687 7.5564 117.3318 53.7878 30.6853 173.9501 59 N 4.5254 8.8677 117.9529 55.6708 38.4656 175.6942 60 G 4.1221 9.5789 112.5796 44.8595 0.0000 173.6823 61 G 4.1293 7.7788 107.8861 45.4847 0.0000 173.9417 62 G 4.1408 8.2779 109.3507 46.0753 0.0000 172.5279 63 F 5.0435 7.4027 113.4807 55.9518 40.6118 174.7344 64 S 4.5816 8.6782 112.3158 58.6025 65.8767 173.5726 65 E 4.8574 8.3614 120.4593 54.6370 32.9156 174.8633 66 V 4.7429 8.4012 122.4341 61.2504 35.5719 174.0277 67 I 4.4863 8.0068 125.1434 59.4910 40.2935 174.3930 68 F 4.9831 8.9277 126.0051 56.0411 40.4197 175.9340 69 R 4.2954 9.1735 124.0498 56.4993 30.4249 174.6847 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 T 8.16 4.48 4.23 0.00 0.00 0.00 0.00 0.00 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 2 P 0.00 4.48 0.00 2.17 2.15 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 3 D 8.72 4.34 0.00 2.53 2.60 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 4 C 9.01 4.71 0.00 2.91 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 5 V 7.25 4.71 2.01 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 0.59 0.00 0.00 0.88 0.00 0.00 6 T 8.99 4.96 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 1.21 0.00 0.00 7 G 7.70 3.81 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 0.00 0.00 0.00 8 K 8.14 4.58 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.41 7.81 9 V 8.02 3.96 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 0.79 0.00 0.00 0.95 0.00 0.00 10 E 9.26 4.28 0.00 2.07 1.92 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 2.40 2.29 0.00 11 Y 6.86 4.87 0.00 3.08 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 12 T 8.85 4.77 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 1.40 0.00 0.00 13 K 8.21 4.58 0.00 1.91 1.57 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.37 7.81 14 Y 8.66 4.68 0.00 3.22 2.92 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 15 N 8.36 4.78 0.00 2.79 2.61 0.00 0.00 6.20 7.79 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 16 D 8.85 4.41 0.00 2.64 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 17 D 7.97 4.69 0.00 2.79 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 18 D 8.09 4.49 0.00 3.08 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 19 T 7.75 4.66 4.51 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 1.26 0.00 0.00 20 F 8.86 5.10 0.00 3.13 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 21 T 8.19 5.28 4.16 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 1.30 0.00 0.00 22 V 9.10 4.78 2.01 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 0.94 0.00 0.00 0.98 0.00 0.00 23 K 7.99 4.41 0.00 0.79 1.03 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.12 1.20 7.81 24 V 8.03 4.48 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 0.84 0.00 0.00 0.76 0.00 0.00 25 G 8.86 4.05 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 0.00 0.00 0.00 26 D 8.72 4.58 0.00 2.79 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 27 K 7.38 4.60 0.00 1.80 1.69 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 28 E 8.68 4.84 0.00 2.04 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 2.28 2.31 0.00 29 L 8.70 5.48 0.00 1.68 1.78 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.70 5.55 0.00 3.25 3.14 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 0.00 0.00 0.00 31 T 9.18 4.44 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 1.08 0.00 0.00 32 N 8.63 5.07 0.00 2.94 3.02 0.00 0.00 6.08 7.66 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 33 R 7.60 4.38 0.00 1.78 1.94 0.00 3.29 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 34 W 9.01 4.41 0.00 3.35 3.19 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 35 N 8.33 4.64 0.00 2.87 3.01 0.00 0.00 6.00 7.79 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 36 L 7.84 4.41 0.00 1.97 1.85 1.03 1.23 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 37 Q 7.98 3.07 0.00 1.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 1.72 2.39 0.00 38 S 7.78 4.03 0.00 3.81 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 39 L 7.84 3.89 0.00 1.92 1.50 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.22 4.32 0.00 1.97 2.03 1.33 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.93 4.18 0.00 1.85 1.70 1.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.12 4.17 0.00 4.06 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 43 A 8.19 4.05 1.68 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 44 Q 8.54 3.93 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 45 I 7.80 3.78 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.94 0.93 0.00 0.00 46 T 8.00 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 1.24 0.00 0.00 47 G 7.81 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 0.00 0.00 0.00 48 M 7.93 4.41 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 49 T 8.78 4.70 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 1.18 0.00 0.00 50 V 9.05 4.78 1.75 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 0.71 0.00 0.00 0.85 0.00 0.00 51 T 8.21 4.75 4.13 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 1.12 0.00 0.00 52 I 8.18 4.14 1.53 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.59 0.03 0.00 0.00 53 K 8.14 4.91 0.00 1.58 1.69 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.26 7.81 54 T 7.89 4.24 4.28 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 1.16 0.00 0.00 55 N 9.12 4.51 0.00 2.73 2.86 0.00 0.00 6.91 7.35 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 56 A 7.82 4.48 1.27 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 0.00 0.00 57 C 7.97 4.90 0.00 3.09 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 58 H 7.56 4.67 0.00 3.36 3.35 0.00 5.73 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 59 N 8.87 4.53 0.00 2.79 2.90 0.00 0.00 7.16 7.65 0.00 0.00 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 G 9.58 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.78 4.13 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 0.00 0.00 0.00 62 G 8.28 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.40 5.04 0.00 2.88 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 64 S 8.68 4.58 0.00 3.82 3.81 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 65 E 8.36 4.86 0.00 2.03 1.80 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 2.31 2.29 0.00 66 V 8.40 4.74 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 0.16 0.00 0.00 0.98 0.00 0.00 67 I 8.01 4.49 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.89 0.00 0.00 68 F 8.93 4.98 0.00 2.93 2.98 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 69 R 9.17 4.30 0.00 1.81 1.70 0.00 3.12 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00