NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4571 8.1633 118.3248 55.2995 33.7469 173.4828 2 Q 4.7576 8.2225 118.3133 52.6654 30.6675 173.5038 3 I 4.7317 8.7489 117.6569 58.9456 41.9617 173.8748 4 F 5.2333 9.1567 121.7466 55.7967 42.3696 174.9925 5 V 4.6557 8.5715 122.1028 60.9127 33.7373 173.8972 6 K 4.5851 8.6627 130.6293 56.1802 33.4465 176.0617 7 T 4.6075 8.9432 122.7628 60.9348 69.1298 175.2598 8 L 4.3751 8.5287 123.9063 56.2926 42.1424 178.6353 9 T 3.9855 7.7930 115.9215 66.3270 68.6056 174.0658 10 G 3.4339 7.3656 112.5854 45.3252 0.0000 173.9551 11 K 4.1724 7.9730 123.3023 56.6346 33.5213 175.6813 12 T 5.0507 8.4207 123.5510 61.9542 70.5782 173.8367 13 I 4.2473 8.7188 128.2407 60.9144 38.7382 175.1331 14 T 4.6500 8.5073 123.5915 62.6991 69.7815 174.2507 15 L 4.7238 8.1877 124.5171 52.8610 46.1517 175.1003 16 E 4.7471 8.7517 124.1229 55.1494 30.4239 175.0159 17 V 4.7538 8.4806 119.5573 59.7854 36.2740 174.5325 18 E 4.7270 9.3226 120.0110 54.0011 32.7111 176.1244 19 P 4.1798 0.0000 0.0000 65.7069 31.5991 178.8006 20 S 4.2152 7.9242 110.9833 60.0469 63.6706 174.3361 21 D 4.3589 8.0406 122.7173 54.8692 41.3267 176.2410 22 T 4.6046 8.2389 116.9459 61.4859 69.5817 175.6976 23 I 3.7471 8.6373 126.1354 64.4222 37.0811 178.7416 24 E 4.0005 8.0025 118.5233 59.3302 29.2411 178.7700 25 N 4.3303 7.9908 117.8376 56.3500 39.1172 176.9694 26 V 3.5446 7.6559 119.5934 65.9752 31.7490 178.1707 27 K 4.3198 8.6934 119.7293 58.8289 31.8069 179.2258 28 A 4.0087 7.8804 120.8516 55.0809 17.8952 179.8772 29 K 4.5996 7.8754 118.2278 59.0297 32.0280 179.7346 30 I 3.6106 7.8838 120.4492 64.0352 37.0757 178.0651 31 Q 4.1429 8.1503 121.9043 58.7336 29.1093 177.9771 32 D 4.5279 8.2988 118.9785 55.1143 39.3531 178.0893 33 K 4.0855 7.3840 119.2298 58.2770 32.8144 177.6559 34 E 4.4255 8.7606 116.9956 59.5218 30.5767 176.5616 35 G 3.6843 7.5950 104.6294 45.3873 0.0000 174.2360 36 I 3.8070 7.8337 122.8900 60.3354 37.8509 173.7132 37 P 4.4290 0.0000 0.0000 62.2385 31.8689 175.7071 38 P 4.3060 0.0000 0.0000 65.5731 31.4644 178.2077 39 D 4.4693 8.0808 115.9196 55.3696 39.7365 176.5107 40 Q 4.5325 7.9901 117.8301 55.8597 30.0510 175.1002 41 Q 4.7149 7.8882 119.6743 54.9580 31.0152 175.1960 42 R 4.6419 8.4655 120.9939 54.6245 34.0180 174.1361 43 L 5.0650 8.5256 124.2001 53.4139 44.0582 175.6310 44 I 5.0405 8.8733 123.9201 59.5569 40.7050 174.4505 45 F 4.9612 8.9226 127.6042 57.1599 43.2691 174.0364 46 A 3.5286 8.5433 127.0225 53.1823 15.8336 177.4295 47 G 3.8920 8.3954 104.0224 47.6944 0.0000 174.4663 48 K 4.6572 7.7415 116.8720 54.2468 36.1297 175.3261 49 Q 4.8729 8.4780 120.7438 55.0538 29.9520 175.2877 50 L 3.9941 8.3605 124.7210 53.8678 42.6263 176.3033 51 E 4.2268 9.6257 126.2915 55.8074 30.5506 176.9911 52 D 4.3710 9.1948 126.9697 57.7744 41.0095 178.5909 53 G 3.9006 8.0844 103.5765 46.2661 0.0000 173.2754 54 R 4.5299 7.9800 120.0039 54.8100 32.2746 175.4342 55 T 5.0415 8.7057 109.8521 59.8410 71.3046 175.5825 56 L 4.0381 8.5210 123.5138 58.4630 41.8039 180.2447 57 S 4.1097 8.2601 113.6447 61.6635 62.3877 176.2572 58 D 4.3213 7.8785 121.5275 56.2773 40.2301 177.1242 59 Y 4.7049 7.8628 115.8011 56.6068 38.1292 175.3605 60 N 4.2543 7.8931 116.0967 54.4338 38.0101 174.4707 61 I 3.3504 7.0962 117.7848 61.0964 35.7428 175.7900 62 Q 4.4802 8.0690 126.2853 53.6015 30.9824 175.3953 63 K 3.8659 8.2677 117.6319 58.7533 32.7895 176.2818 64 E 3.9786 9.2019 121.3226 57.0010 28.9292 174.3142 65 S 4.5739 7.6459 112.8532 58.6397 64.2228 173.1847 66 T 5.2145 8.7436 119.6910 62.1019 70.4586 173.9857 67 L 5.0403 9.3931 126.7488 53.7268 45.0056 174.9557 68 H 5.3993 9.1702 116.5974 54.0106 32.5557 172.8812 69 L 5.1775 8.3139 122.6834 53.3116 44.3676 175.6102 70 V 4.4146 8.7565 126.3619 61.1010 33.9109 174.1080 71 L 4.5975 8.4534 127.9572 53.7848 42.5382 176.8899 72 R 4.2021 8.8291 123.6964 55.9636 31.1352 176.9500 73 L 4.2873 8.3193 120.6013 54.9824 42.0036 176.5546 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 M 8.16 4.46 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 2 Q 8.22 4.76 0.00 1.96 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 3 I 8.75 4.73 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.78 0.00 0.00 4 F 9.16 5.23 0.00 2.93 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 5 V 8.57 4.66 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 1.04 0.00 0.00 0.92 0.00 0.00 6 K 8.66 4.59 0.00 1.84 1.47 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.37 7.81 7 T 8.94 4.61 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 1.26 0.00 0.00 8 L 8.53 4.38 0.00 1.69 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.79 3.99 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 10 G 7.37 3.43 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 0.00 11 K 7.97 4.17 0.00 1.86 1.70 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.48 7.81 12 T 8.42 5.05 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 1.33 0.00 0.00 13 I 8.72 4.25 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 0.86 0.92 0.00 0.00 14 T 8.51 4.65 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 1.15 0.00 0.00 15 L 8.19 4.72 0.00 1.45 1.41 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.75 4.75 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 17 V 8.48 4.75 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 0.68 0.00 0.00 0.85 0.00 0.00 18 E 9.32 4.73 0.00 1.95 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 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.57 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 2.10 2.06 0.00 20 S 7.92 4.22 0.00 3.96 3.98 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 21 D 8.04 4.36 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.60 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 1.24 0.00 0.00 23 I 8.64 3.75 2.18 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 1.98 1.02 0.91 0.00 0.00 24 E 8.00 4.00 0.00 2.15 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 0.00 2.43 2.32 0.00 25 N 7.99 4.33 0.00 2.81 3.04 0.00 0.00 6.88 7.71 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 26 V 7.66 3.54 2.20 0.00 0.00 0.00 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 0.96 0.00 0.00 27 K 8.69 4.32 0.00 1.95 1.85 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.49 7.81 28 A 7.88 4.01 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 29 K 7.88 4.60 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 30 I 7.88 3.61 2.12 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.91 0.00 0.00 31 Q 8.15 4.14 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 32 D 8.30 4.53 0.00 2.99 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 33 K 7.38 4.09 0.00 1.84 1.89 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.45 7.81 34 E 8.76 4.43 0.00 2.05 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 0.00 2.27 2.45 0.00 35 G 7.60 3.68 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 0.00 36 I 7.83 3.81 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 1.42 0.98 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.23 1.99 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 38 P 0.00 4.31 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.82 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 39 D 8.08 4.47 0.00 2.78 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 40 Q 7.99 4.53 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 7.89 4.71 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 42 R 8.47 4.64 0.00 1.65 1.78 0.00 3.11 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 L 8.53 5.07 0.00 1.55 1.54 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 5.04 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.90 0.00 0.00 45 F 8.92 4.96 0.00 3.03 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 46 A 8.54 3.53 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.40 3.89 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 0.00 0.00 0.00 48 K 7.74 4.66 0.00 1.89 1.69 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.61 7.81 49 Q 8.48 4.87 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 50 L 8.36 3.99 0.00 1.39 1.32 0.73 -0.18 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 51 E 9.63 4.23 0.00 2.13 1.96 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 2.35 2.34 0.00 52 D 9.19 4.37 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 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 54 R 7.98 4.53 0.00 2.28 1.83 0.00 3.08 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 55 T 8.71 5.04 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 8.52 4.04 0.00 1.94 1.75 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.26 4.11 0.00 4.02 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 0.00 58 D 7.88 4.32 0.00 2.44 2.27 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 59 Y 7.86 4.70 0.00 2.98 3.11 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 0.00 0.00 0.00 0.00 60 N 7.89 4.25 0.00 2.94 3.02 0.00 0.00 7.11 7.42 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 61 I 7.10 3.35 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.12 0.60 0.00 0.00 62 Q 8.07 4.48 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 63 K 8.27 3.87 0.00 1.85 1.80 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 E 9.20 3.98 0.00 2.14 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 0.00 2.34 2.63 0.00 65 S 7.65 4.57 0.00 3.81 3.60 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 66 T 8.74 5.21 4.36 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 1.25 0.00 0.00 67 L 9.39 5.04 0.00 1.58 1.84 0.85 0.90 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 68 H 9.17 5.40 0.00 3.11 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.31 5.18 0.00 1.55 1.52 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.41 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.45 4.60 0.00 1.57 1.59 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.83 4.20 0.00 1.81 1.86 0.00 3.13 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 73 L 8.32 4.29 0.00 1.59 1.55 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00