NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2927 8.3449 121.7110 55.0628 29.4641 176.5238 2 P 4.2737 0.0000 0.0000 63.2441 31.7574 174.4612 3 D 4.8344 9.1442 124.5700 56.4341 43.8308 176.5567 4 A 3.5930 8.5398 131.7259 52.6653 14.5537 178.5153 5 I 4.0208 7.4552 121.1420 62.7418 38.8109 177.2497 6 N 4.6415 7.8949 119.9206 51.4850 36.2420 174.4316 7 A 4.6285 7.2872 120.9705 49.9411 21.7206 175.3237 8 P 4.2214 0.0000 0.0000 62.7343 30.4854 176.8147 9 V 3.8388 8.0237 124.8616 60.3813 30.8500 176.2853 10 T 3.8201 8.3172 122.7545 64.1000 68.0409 174.3728 11 C 5.0034 8.2684 123.1272 55.3413 44.2681 172.6393 12 C 4.7683 8.2081 116.8191 55.7266 43.1789 172.9514 13 Y 4.7538 7.9373 113.0070 59.3568 41.4240 174.5268 14 N 4.8156 7.4137 114.2587 51.4025 41.9904 173.1466 15 F 5.5790 8.2410 116.0795 56.9921 42.5005 173.2082 16 T 3.9481 9.0285 121.3649 62.8754 66.3857 172.1813 17 N 5.0559 8.7378 125.1030 53.4346 39.2787 174.5727 18 R 4.1151 6.9713 116.8123 54.4568 31.2327 175.8625 19 K 2.4800 7.8611 123.8318 56.2372 30.9205 174.9034 20 I 3.6676 5.4200 125.4283 59.8237 37.8037 176.2364 21 S 4.0416 8.6805 119.9702 58.6052 62.4810 175.4476 22 V 3.7213 8.6084 126.7927 64.4601 31.2866 178.4250 23 Q 4.0235 8.0611 118.1096 59.2247 28.8644 177.8026 24 R 3.9206 8.0291 118.2142 58.3907 30.1890 176.1412 25 L 4.4739 7.2314 115.9579 54.3984 40.3430 176.4483 26 A 4.2585 8.6820 126.9420 54.2028 19.3856 176.3705 27 S 4.6608 7.8702 108.4629 58.7248 66.2968 174.3162 28 Y 5.1053 8.6727 122.2900 56.8296 41.0273 175.0972 29 R 4.0234 8.2582 127.6112 52.9944 30.0628 173.2647 30 R 3.8080 6.7637 119.0589 56.7754 30.5491 175.8880 31 I 4.1451 8.5393 127.4513 60.4551 38.9112 175.9330 32 T 4.6131 7.6611 117.4062 62.2458 70.2402 173.2228 33 S 4.2163 7.4355 116.2127 59.3046 63.1002 174.4312 34 S 4.2545 8.5612 119.6723 59.9986 62.3025 174.4741 35 K 4.3258 7.6878 119.2928 57.1909 32.3934 175.5400 36 C 4.5871 7.9094 117.8867 56.1173 40.6712 172.9967 37 P 3.8486 0.0000 0.0000 65.0060 31.2720 176.5946 38 K 4.6212 7.3527 117.1227 54.8806 36.1975 175.6212 39 E 4.4099 8.6251 122.2144 56.4217 31.0695 174.8720 40 A 4.2438 7.7359 121.1375 51.9374 23.9082 175.0080 41 V 4.3191 7.8930 117.6790 61.1447 34.0702 175.8867 42 I 4.4221 7.5257 129.7451 60.1129 35.8170 175.0769 43 F 5.3773 8.6793 122.6982 57.6361 38.3816 173.6237 44 K 4.1630 9.1653 122.0167 56.4967 32.0887 177.7873 45 T 5.2893 8.5683 117.6041 61.1026 68.6769 173.9344 46 I 4.0717 8.4336 111.6721 63.1167 38.4935 177.1464 47 V 4.0428 7.8316 118.5182 61.2008 31.2988 175.8838 48 A 3.7386 7.6422 119.3542 53.3564 16.3811 179.6654 49 K 4.3219 7.7533 121.6945 56.1482 30.4985 174.1203 50 E 4.0073 8.5023 121.1882 56.8169 30.6194 176.3754 51 I 4.4645 8.3576 126.4946 59.3854 39.4069 174.8902 52 C 5.4711 9.1773 125.4835 56.7502 35.4301 172.8265 53 A 5.3776 8.4825 124.8175 49.7125 22.6065 174.5861 54 D 3.9816 8.8169 121.0825 53.3746 41.3137 175.4018 55 P 4.1549 0.0000 0.0000 65.0470 31.4330 176.9553 56 K 4.2743 7.9052 117.5076 56.6220 31.0521 177.0116 57 Q 4.4209 7.6584 120.0176 55.1038 31.1278 176.0045 58 K 4.2103 8.4790 121.0307 57.3151 32.8227 177.5093 59 W 4.6301 8.0228 115.8688 58.3805 28.9563 178.1699 60 V 2.8836 6.5338 118.1069 64.8904 30.7200 177.7422 61 Q 3.9101 7.1204 117.6212 58.4258 28.7213 177.8283 62 D 4.4849 7.7980 119.4751 57.2429 41.3796 178.3975 63 S 4.0753 7.9418 115.4192 62.0500 62.9219 176.4587 64 M 3.8487 8.0458 120.5255 58.6302 31.5335 178.1641 65 D 4.2698 7.5095 118.5165 57.3519 41.4381 177.9920 66 H 4.3613 7.9751 115.6884 58.5963 28.2729 177.7280 67 L 4.1514 7.3317 120.6181 57.4273 41.7065 178.1793 68 D 4.6817 7.8452 116.7133 55.6172 41.2791 176.1588 69 K 4.7242 7.8981 118.3057 57.4402 32.9508 176.6888 70 Q 4.5664 8.4095 116.1553 56.9171 29.6331 176.4081 71 T 4.0030 7.5485 108.8715 62.4132 68.8693 174.8203 72 Q 4.3454 8.2279 119.7082 54.3034 30.8445 175.7353 73 T 4.2814 8.2234 118.7847 61.5598 68.6838 173.1733 74 P 4.5203 0.0000 0.0000 62.4594 32.0366 175.2319 75 K 4.7651 8.1425 117.3159 55.2413 36.1103 176.8940 76 T 4.2024 8.2584 109.1202 62.0001 68.8530 173.8213 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 Q 8.34 4.29 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 2 P 0.00 4.27 0.00 2.16 2.02 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 3 D 9.14 4.83 0.00 2.65 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 A 8.54 3.59 1.39 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 0.00 0.00 0.00 0.00 0.00 5 I 7.46 4.02 1.87 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 1.47 0.87 0.91 0.00 0.00 6 N 7.89 4.64 0.00 2.82 2.86 0.00 0.00 5.87 7.26 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 7 A 7.29 4.63 1.23 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 0.00 0.00 0.00 8 P 0.00 4.22 0.00 2.18 2.12 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 V 8.02 3.84 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 0.84 0.00 0.00 0.90 0.00 0.00 10 T 8.32 3.82 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 1.15 0.00 0.00 11 C 8.27 5.00 0.00 2.74 2.90 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 12 C 8.21 4.77 0.00 2.84 2.75 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 0.00 0.00 0.00 0.00 13 Y 7.94 4.75 0.00 2.84 2.74 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 14 N 7.41 4.82 0.00 2.56 2.66 0.00 0.00 6.69 7.46 0.00 0.00 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 F 8.24 5.58 0.00 3.17 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 16 T 9.03 3.95 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 17 N 8.74 5.06 0.00 2.88 2.88 0.00 0.00 7.24 7.72 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 18 R 6.97 4.12 0.00 1.86 1.59 0.00 3.18 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 19 K 7.86 2.48 0.00 1.43 1.54 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 20 I 5.42 3.67 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.93 0.00 0.00 21 S 8.68 4.04 0.00 3.79 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 22 V 8.61 3.72 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 0.67 0.00 0.00 0.34 0.00 0.00 23 Q 8.06 4.02 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 24 R 8.03 3.92 0.00 1.98 2.04 0.00 3.28 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 L 7.23 4.47 0.00 1.86 1.67 0.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.68 4.26 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 27 S 7.87 4.66 0.00 3.93 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 28 Y 8.67 5.11 0.00 3.22 2.99 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 0.00 0.00 0.00 29 R 8.26 4.02 0.00 1.65 1.65 0.00 3.18 0.00 0.00 3.03 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 30 R 6.76 3.81 0.00 1.72 1.81 0.00 3.38 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 31 I 8.54 4.15 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 1.22 0.50 0.89 0.00 0.00 32 T 7.66 4.61 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 1.26 0.00 0.00 33 S 7.44 4.22 0.00 3.85 3.75 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 0.00 0.00 0.00 0.00 34 S 8.56 4.25 0.00 3.86 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 35 K 7.69 4.33 0.00 1.78 1.80 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.39 7.81 36 C 7.91 4.59 0.00 3.18 3.12 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 37 P 0.00 3.85 0.00 2.26 2.24 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 38 K 7.35 4.62 0.00 1.77 1.94 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.53 7.81 39 E 8.63 4.41 0.00 1.79 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 2.29 2.30 0.00 40 A 7.74 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.32 1.72 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 -0.83 0.00 0.00 0.81 0.00 0.00 42 I 7.53 4.42 1.91 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 1.29 0.57 0.90 0.00 0.00 43 F 8.68 5.38 0.00 3.37 3.08 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 0.00 0.00 0.00 0.00 44 K 9.17 4.16 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 45 T 8.57 5.29 4.32 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 1.36 0.00 0.00 46 I 8.43 4.07 1.89 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 1.49 1.11 0.99 0.00 0.00 47 V 7.83 4.04 2.10 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 0.86 0.00 0.00 0.94 0.00 0.00 48 A 7.64 3.74 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.75 4.32 0.00 1.85 1.81 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.45 7.81 50 E 8.50 4.01 0.00 1.91 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 2.34 2.40 0.00 51 I 8.36 4.46 2.19 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 1.06 0.00 0.00 52 C 9.18 5.47 0.00 2.88 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 53 A 8.48 5.38 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 3.98 0.00 2.44 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 55 P 0.00 4.15 0.00 2.09 2.03 0.00 3.48 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 56 K 7.91 4.27 0.00 1.98 1.80 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.42 7.81 57 Q 7.66 4.42 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.79 0.00 58 K 8.48 4.21 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 59 W 8.02 4.63 0.00 3.70 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.53 2.88 1.65 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 0.97 0.00 0.00 -0.63 0.00 0.00 61 Q 7.12 3.91 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 62 D 7.80 4.48 0.00 2.72 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 63 S 7.94 4.08 0.00 3.36 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 64 M 8.05 3.85 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.99 0.00 65 D 7.51 4.27 0.00 2.92 2.65 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 0.00 0.00 0.00 0.00 66 H 7.98 4.36 0.00 3.35 3.56 0.00 5.26 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.33 4.15 0.00 1.69 1.99 1.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.85 4.68 0.00 2.84 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 69 K 7.90 4.72 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.54 7.81 70 Q 8.41 4.57 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 71 T 7.55 4.00 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 1.25 0.00 0.00 72 Q 8.23 4.35 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 73 T 8.22 4.28 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 74 P 0.00 4.52 0.00 2.04 2.03 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 75 K 8.14 4.77 0.00 1.67 1.65 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 76 T 8.26 4.20 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 1.21 0.00 0.00