NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4837 8.1593 117.3241 62.9468 69.8668 173.3310 2 P 4.4593 0.0000 0.0000 61.4268 33.3801 173.6949 3 D 4.3741 8.8157 121.0339 55.6584 41.2827 177.2301 4 C 4.8118 9.1645 123.2094 57.7093 45.5601 173.9936 5 V 4.6757 7.2240 116.5182 60.5849 34.6443 172.9715 6 T 4.8725 8.7095 118.0696 61.3211 72.0402 173.8750 7 G 3.9094 8.0130 111.5377 46.3572 0.0000 171.8942 8 K 4.7358 8.4057 118.8176 55.9973 33.1763 177.6304 9 V 3.7688 8.1586 122.4835 62.4876 31.6866 175.4255 10 E 4.3507 8.8408 130.0900 59.0394 30.2823 175.7070 11 Y 5.0600 7.0763 115.2685 56.2569 41.4983 173.3943 12 T 5.0785 8.5706 109.3356 59.9013 72.3987 173.2232 13 K 4.5123 8.1655 123.0944 55.0893 36.2267 174.1988 14 Y 4.6428 8.8108 128.9006 57.2279 40.1321 174.2850 15 N 5.0130 8.2774 123.9625 51.3594 40.7470 175.6752 16 D 4.3609 8.5894 119.5274 57.0111 41.4145 176.6266 17 D 4.6250 7.9328 116.3888 52.9376 39.5714 176.4391 18 D 4.2895 8.3285 117.3821 55.4711 39.0050 173.9718 19 T 4.4775 7.4864 110.8195 60.8549 71.5306 173.1514 20 F 5.2606 8.9017 122.6995 56.9449 42.7580 173.2006 21 T 5.2685 8.6734 122.9627 62.0830 70.9457 174.0160 22 V 4.7213 9.0387 118.2957 59.3496 36.0294 174.4886 23 K 4.6302 8.1192 125.0323 54.6855 34.1595 175.0505 24 V 4.5152 8.0793 127.5026 60.7550 34.7349 174.7604 25 G 3.8292 8.9721 116.7257 47.2711 0.0000 173.7125 26 D 4.8725 8.9066 123.0349 52.3108 39.6867 175.2529 27 K 4.8165 7.8083 119.0538 55.0431 35.4249 174.7482 28 E 5.0983 9.2886 123.9510 55.0037 31.4278 175.2277 29 L 5.5104 9.0686 123.8173 53.0081 46.6935 175.3120 30 F 5.6027 9.0226 114.8101 55.6476 42.0700 173.4452 31 T 4.3734 8.6681 113.3676 60.1291 70.7022 173.6922 32 N 4.7126 8.6308 123.4974 52.6318 38.1909 174.6832 33 R 4.3613 7.5277 119.8809 55.0196 30.7605 176.7812 34 W 4.2114 9.1372 133.5167 60.8813 30.3908 177.4892 35 N 3.5178 8.2538 115.3933 55.8290 37.8561 176.7554 36 L 4.0299 7.6551 119.3419 56.4861 41.7281 179.1913 37 Q 2.7880 7.5544 119.1986 58.6541 28.6337 178.8980 38 S 4.0188 7.3246 114.6027 61.1719 63.0996 176.2568 39 L 3.8264 7.1854 122.6315 57.5094 41.2685 179.4923 40 L 4.2301 8.2085 119.1837 57.6479 41.5451 179.1795 41 L 4.0841 7.9861 120.3399 58.4616 42.0526 179.2123 42 S 4.1149 8.2166 114.7603 61.5938 62.7532 176.5917 43 A 4.0760 8.4243 123.7677 55.1151 18.0224 179.5343 44 Q 3.9466 8.3760 118.2833 59.5111 28.9847 178.5400 45 I 3.8122 8.0144 120.2830 64.0827 37.2697 177.6505 46 T 4.3715 7.9944 107.7808 60.9904 69.1910 174.9229 47 G 3.8555 7.7329 109.3971 47.0169 0.0000 174.0914 48 M 4.3940 7.9901 118.3197 55.2635 33.1980 176.1073 49 T 4.6122 8.1828 117.0716 62.6796 70.3587 174.6294 50 V 4.7576 8.6987 119.3642 59.7379 35.6217 174.7309 51 T 4.7985 8.5156 120.0681 61.9261 71.1115 173.2241 52 I 4.1847 8.3676 128.2742 59.8610 38.9351 174.8923 53 K 4.9400 8.0013 126.7529 54.4888 33.3083 175.7213 54 T 4.3433 7.9695 117.1513 61.6232 69.5710 172.9822 55 N 4.4180 9.0115 123.0367 55.5244 39.6631 176.1025 56 A 4.3774 7.7956 124.1770 51.1602 17.4860 177.6145 57 C 4.7520 7.5110 124.5218 53.7214 43.7780 171.4267 58 H 4.8177 7.2914 117.7430 53.7037 31.1426 173.7410 59 N 4.6785 8.6788 117.9067 55.2091 38.5836 175.9663 60 G 4.0884 9.4046 111.3173 45.3366 0.0000 173.9160 61 G 3.8999 7.5001 107.5723 45.4486 0.0000 173.8587 62 G 3.6916 8.3494 109.3928 44.9604 0.0000 172.6327 63 F 5.1697 7.8298 114.7985 55.5532 40.9739 174.4244 64 S 4.5610 8.7763 111.2023 57.6109 64.6622 173.2652 65 E 4.8508 8.2499 120.7024 54.8859 32.9843 174.7996 66 V 4.7525 8.3639 122.6050 61.4103 35.0783 173.5574 67 I 4.4914 8.5840 128.0751 59.5405 39.6553 174.3483 68 F 5.0311 8.9261 125.2524 55.7848 40.7024 175.9902 69 R 4.3284 8.8876 121.5155 56.3746 30.9055 175.3212 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 4.25 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 2 P 0.00 4.46 0.00 2.17 2.15 0.00 3.69 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 8.82 4.37 0.00 2.54 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 9.16 4.81 0.00 3.03 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 5 V 7.22 4.68 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 0.51 0.00 0.00 0.91 0.00 0.00 6 T 8.71 4.87 4.18 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 1.16 0.00 0.00 7 G 8.01 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 0.00 0.00 0.00 8 K 8.41 4.74 0.00 1.64 1.75 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.42 7.81 9 V 8.16 3.77 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 0.80 0.00 0.00 0.94 0.00 0.00 10 E 8.84 4.35 0.00 1.95 1.85 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 2.44 2.29 0.00 11 Y 7.08 5.06 0.00 3.05 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 12 T 8.57 5.08 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 1.46 0.00 0.00 13 K 8.17 4.51 0.00 1.84 1.59 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 14 Y 8.81 4.64 0.00 3.38 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 8.28 5.01 0.00 2.84 2.59 0.00 0.00 6.24 7.54 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 16 D 8.59 4.36 0.00 2.63 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 17 D 7.93 4.62 0.00 2.77 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 18 D 8.33 4.29 0.00 2.90 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 19 T 7.49 4.48 4.57 0.00 0.00 0.00 0.00 0.00 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 8.90 5.26 0.00 3.04 2.88 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 21 T 8.67 5.27 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 1.34 0.00 0.00 22 V 9.04 4.72 2.04 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 0.91 0.00 0.00 0.91 0.00 0.00 23 K 8.12 4.63 0.00 0.81 0.74 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.03 1.14 7.81 24 V 8.08 4.52 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 0.83 0.00 0.00 0.77 0.00 0.00 25 G 8.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.87 0.00 2.76 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 27 K 7.81 4.82 0.00 1.63 1.67 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.47 7.81 28 E 9.29 5.10 0.00 2.08 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 2.26 2.33 0.00 29 L 9.07 5.51 0.00 1.60 1.79 0.71 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.02 5.60 0.00 3.22 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 31 T 8.67 4.37 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 1.11 0.00 0.00 32 N 8.63 4.71 0.00 2.90 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 7.53 4.36 0.00 1.75 1.91 0.00 3.32 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 34 W 9.14 4.21 0.00 3.44 3.32 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 35 N 8.25 3.52 0.00 2.71 2.71 0.00 0.00 7.13 6.74 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 36 L 7.66 4.03 0.00 1.82 1.75 0.95 1.09 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 37 Q 7.55 2.79 0.00 1.63 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.58 2.10 0.00 38 S 7.32 4.02 0.00 3.88 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 39 L 7.19 3.83 0.00 1.70 1.41 0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.21 4.23 0.00 1.97 2.02 1.32 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.99 4.08 0.00 1.99 1.69 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.22 4.11 0.00 4.03 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 43 A 8.42 4.08 1.61 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 44 Q 8.38 3.95 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 45 I 8.01 3.81 1.90 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 1.61 0.80 0.93 0.00 0.00 46 T 7.99 4.37 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 1.21 0.00 0.00 47 G 7.73 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 M 7.99 4.39 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 49 T 8.18 4.61 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 1.18 0.00 0.00 50 V 8.70 4.76 1.70 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 0.62 0.00 0.00 0.75 0.00 0.00 51 T 8.52 4.80 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 1.11 0.00 0.00 52 I 8.37 4.18 1.50 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.49 0.03 0.00 0.00 53 K 8.00 4.94 0.00 1.60 1.69 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.12 7.81 54 T 7.97 4.34 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 1.15 0.00 0.00 55 N 9.01 4.42 0.00 2.74 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 7.80 4.38 1.25 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 0.00 0.00 57 C 7.51 4.75 0.00 2.90 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 58 H 7.29 4.82 0.00 3.38 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.68 4.68 0.00 2.79 2.87 0.00 0.00 7.00 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 9.40 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.50 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 0.00 0.00 0.00 62 G 8.35 3.69 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 0.00 0.00 0.00 63 F 7.83 5.17 0.00 2.88 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 64 S 8.78 4.56 0.00 3.91 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 65 E 8.25 4.85 0.00 2.07 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 2.30 2.29 0.00 66 V 8.36 4.75 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 0.07 0.00 0.00 0.99 0.00 0.00 67 I 8.58 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 1.20 0.58 0.90 0.00 0.00 68 F 8.93 5.03 0.00 2.84 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 69 R 8.89 4.33 0.00 1.81 1.76 0.00 3.12 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00