NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.4192 0.0000 0.0000 62.2900 31.7167 176.5817 9 E 3.8577 8.4481 126.6246 59.0860 29.4528 176.9705 10 A 4.0177 8.9364 121.8206 55.3841 18.6321 179.2637 11 L 3.9121 7.5700 116.0516 58.2081 41.6665 179.8158 12 T 3.8303 7.7678 115.3213 66.2934 68.4613 176.6280 13 V 3.4918 7.8324 120.0139 66.0039 31.4828 177.6459 14 A 3.9251 8.0252 120.0540 55.4071 18.1989 179.2229 15 A 3.7822 7.9506 118.9504 55.8034 18.3287 180.0777 16 T 3.7965 7.9016 113.9626 66.7773 68.5328 176.8130 17 E 3.9697 8.2052 120.5190 59.4617 29.5080 179.6537 18 V 3.6519 8.1552 118.6581 66.0513 31.5169 178.3517 19 R 3.9607 8.0204 117.9713 59.0989 29.8485 179.0046 20 R 3.8833 8.0767 118.6532 59.4488 30.1374 178.6498 21 I 3.7266 7.9494 119.7223 64.1746 37.0575 178.3780 22 R 3.8479 8.1040 119.5053 59.6451 29.9821 178.0954 23 D 4.3852 8.2222 118.7679 57.7039 40.8345 179.0954 24 R 3.9615 8.2742 118.7014 58.9234 30.0111 178.5406 25 A 3.9759 7.9953 121.0182 55.1715 18.4452 179.7275 26 I 3.6940 7.7889 111.6855 63.9888 37.5935 178.4995 27 Q 3.9710 8.1150 120.1510 58.8946 28.3058 178.7995 28 S 4.1581 8.0725 115.2894 61.3944 63.0798 175.8599 29 D 4.4311 8.3421 121.4259 57.2764 40.8580 178.2571 30 A 4.0619 8.1832 120.1222 55.0849 18.3840 179.0621 31 Q 4.0576 8.0666 117.6173 58.5433 29.3699 177.7340 32 V 4.2197 7.5371 110.8625 60.9529 32.4461 177.4321 33 A 4.1336 8.0706 123.1226 54.0458 18.0220 177.8553 34 P 4.1815 0.0000 0.0000 65.6769 31.2381 177.7383 35 M 4.3023 7.7435 118.0119 57.8503 32.5404 178.2948 36 T 3.9490 8.1263 110.3341 64.6649 68.6918 175.8571 37 T 4.2715 8.2042 110.4063 62.2867 69.3102 175.0094 38 A 4.5312 7.1829 123.8038 51.7602 19.1310 176.9116 39 V 3.6502 7.7741 118.8416 64.4086 31.7561 175.7851 40 R 4.5995 8.2476 126.1371 53.8104 31.8276 174.5204 41 P 4.4101 0.0000 0.0000 61.9146 31.8896 175.1516 42 P 4.2858 0.0000 0.0000 65.2957 31.4355 175.4818 43 A 4.5648 7.2593 117.8399 50.9232 22.1405 175.2281 44 A 4.2931 8.4215 119.8043 53.1971 19.3591 178.2320 45 D 4.6369 7.6969 116.5449 52.5884 41.6703 176.9337 46 L 3.9716 8.3319 121.4070 58.1042 42.0792 179.2622 47 V 3.5276 7.7715 117.7485 66.0867 31.6497 177.7262 48 S 4.1340 8.7782 115.2815 61.9497 62.7433 176.8324 49 E 4.0037 8.0395 120.3904 59.4198 29.2138 179.6573 50 K 4.0415 8.4031 118.5513 59.1562 32.0848 179.3427 51 A 3.9450 8.1959 120.9156 55.2257 18.4278 179.5762 52 A 4.0204 8.1306 119.2827 55.4818 18.4259 180.0382 53 T 3.8083 8.1277 114.2617 66.7028 68.5524 176.4505 54 F 4.0326 8.3425 122.4773 61.5097 39.3205 176.9951 55 L 4.1901 8.2396 118.4158 57.9413 41.4535 179.7892 56 V 3.6110 7.8297 117.8836 66.1942 31.4409 178.0226 57 E 3.9667 8.2623 118.3163 59.3895 29.2271 178.7241 58 Y 3.8881 8.3673 119.9178 60.6075 38.8899 177.9474 59 A 4.0578 8.4072 121.9671 55.1752 18.4409 179.9176 60 R 3.8989 8.0124 116.5910 59.4231 30.1966 179.4834 61 K 3.9866 8.2580 118.3907 59.2298 31.9158 178.9310 62 Y 3.9008 7.8484 120.1484 60.7236 38.8486 178.0133 63 R 3.9199 8.0967 118.9705 59.4103 30.0985 179.1403 64 Q 3.9403 8.0197 117.8466 59.1253 28.6872 178.7562 65 T 3.7523 7.6281 116.8406 66.5920 68.3739 176.5697 66 I 3.5136 7.4745 120.3212 63.7734 37.9463 177.7774 67 A 3.9223 7.8202 121.3446 55.0381 18.1280 179.5061 68 A 3.9086 8.0116 119.1701 55.1849 18.4045 179.7612 69 A 3.9040 7.9844 119.1609 54.9562 18.2867 179.8198 70 A 3.8878 8.2389 119.9775 55.1848 18.4419 179.6790 71 V 3.4976 7.7689 116.8560 66.3383 31.4445 178.2145 72 V 3.5927 7.8717 117.6138 66.1488 31.2960 177.8393 73 L 4.1222 8.0805 118.5392 58.0298 41.4036 179.5300 74 E 3.9889 8.4931 118.5691 59.3967 29.4008 179.1490 75 E 3.9831 8.6383 119.1133 59.3859 29.4084 179.2181 76 F 4.4193 8.6585 120.6767 61.4563 39.4989 177.0846 77 A 3.6808 8.2176 120.4657 55.2457 18.0947 179.1119 78 H 4.0771 8.5804 116.9059 59.2519 29.9605 177.3898 79 A 4.0765 8.2129 122.5605 54.6765 17.9026 179.5410 80 L 3.9317 7.1744 117.0650 58.0293 41.8239 179.1907 81 T 4.0425 7.5688 115.2466 66.6391 68.6824 176.9925 82 T 4.0466 7.7608 111.8101 64.0877 69.7016 174.9488 83 G 4.0165 8.0766 110.2600 43.3446 0.0000 173.2343 84 A 4.0886 7.4682 125.4805 52.6040 18.9347 176.7248 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 8 P 0.00 4.42 0.00 2.30 2.29 0.00 3.39 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 1.96 2.10 0.00 9 E 8.45 3.86 0.00 2.10 2.03 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 2.39 2.42 0.00 10 A 8.94 4.02 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 11 L 7.57 3.91 0.00 1.72 1.80 0.90 0.64 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 12 T 7.77 3.83 4.30 0.00 0.00 0.00 0.00 0.00 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 13 V 7.83 3.49 2.23 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 1.00 0.00 0.00 0.95 0.00 0.00 14 A 8.03 3.93 1.33 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 0.00 0.00 15 A 7.95 3.78 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 16 T 7.90 3.80 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 1.20 0.00 0.00 17 E 8.21 3.97 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 18 V 8.16 3.65 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 1.16 0.00 0.00 0.96 0.00 0.00 19 R 8.02 3.96 0.00 2.07 1.95 0.00 3.24 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 R 8.08 3.88 0.00 1.89 2.09 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 21 I 7.95 3.73 2.06 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 0.96 0.94 0.00 0.00 22 R 8.10 3.85 0.00 2.02 2.10 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 23 D 8.22 4.39 0.00 2.92 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 24 R 8.27 3.96 0.00 1.89 2.06 0.00 3.10 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 25 A 8.00 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.69 1.86 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 1.52 1.26 0.95 0.00 0.00 27 Q 8.12 3.97 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 28 S 8.07 4.16 0.00 4.10 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 29 D 8.34 4.43 0.00 2.79 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.18 4.06 1.33 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 0.00 0.00 31 Q 8.07 4.06 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 32 V 7.54 4.22 2.09 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 0.80 0.00 0.00 1.02 0.00 0.00 33 A 8.07 4.13 1.43 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 0.00 0.00 0.00 34 P 0.00 4.18 0.00 2.24 2.22 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 35 M 7.74 4.30 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 36 T 8.13 3.95 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 37 T 8.20 4.27 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 1.27 0.00 0.00 38 A 7.18 4.53 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.65 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 0.86 0.00 0.00 1.01 0.00 0.00 40 R 8.25 4.60 0.00 1.84 1.84 0.00 3.44 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 41 P 0.00 4.41 0.00 2.17 2.11 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 42 P 0.00 4.29 0.00 2.03 2.12 0.00 3.65 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 2.03 2.09 0.00 43 A 7.26 4.56 1.22 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 0.00 0.00 44 A 8.42 4.29 1.28 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 0.00 0.00 0.00 45 D 7.70 4.64 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 46 L 8.33 3.97 0.00 1.78 1.70 0.92 0.78 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 47 V 7.77 3.53 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 0.99 0.00 0.00 0.92 0.00 0.00 48 S 8.78 4.13 0.00 4.12 3.92 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 49 E 8.04 4.00 0.00 2.19 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 0.00 2.34 2.59 0.00 50 K 8.40 4.04 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 51 A 8.20 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.13 4.02 1.43 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 0.00 0.00 0.00 53 T 8.13 3.81 4.46 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 1.25 0.00 0.00 54 F 8.34 4.03 0.00 3.26 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 55 L 8.24 4.19 0.00 1.99 1.81 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.83 3.61 2.26 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 1.10 0.00 0.00 1.07 0.00 0.00 57 E 8.26 3.97 0.00 1.87 1.90 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 2.51 2.40 0.00 58 Y 8.37 3.89 0.00 2.87 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 59 A 8.41 4.06 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 60 R 8.01 3.90 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 61 K 8.26 3.99 0.00 1.63 1.76 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 62 Y 7.85 3.90 0.00 2.87 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.92 0.00 2.06 1.93 0.00 3.22 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 64 Q 8.02 3.94 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 65 T 7.63 3.75 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 1.12 0.00 0.00 66 I 7.47 3.51 1.32 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.70 0.00 0.00 67 A 7.82 3.92 1.33 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 0.00 0.00 68 A 8.01 3.91 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 69 A 7.98 3.90 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 70 A 8.24 3.89 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 71 V 7.77 3.50 2.23 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 1.02 0.00 0.00 0.95 0.00 0.00 72 V 7.87 3.59 2.21 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 1.04 0.00 0.00 0.91 0.00 0.00 73 L 8.08 4.12 0.00 2.08 1.76 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.49 3.99 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 75 E 8.64 3.98 0.00 2.18 2.06 0.00 0.00 0.00 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 2.52 0.00 76 F 8.66 4.42 0.00 3.07 3.29 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 77 A 8.22 3.68 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 78 H 8.58 4.08 0.00 3.25 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.21 4.08 1.48 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 80 L 7.17 3.93 0.00 1.56 1.72 0.40 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.57 4.04 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 1.16 0.00 0.00 82 T 7.76 4.05 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 1.04 0.00 0.00 83 G 8.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.47 4.09 1.26 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 0.00 0.00 0.00