NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4298 8.1627 118.3242 55.1452 33.5300 173.5416 2 Q 4.5870 8.2557 121.6700 53.5612 30.5686 173.0655 3 I 4.5129 9.3890 120.7180 59.0045 41.9012 173.5497 4 F 5.5586 8.8016 120.5541 55.7005 42.6595 175.4005 5 V 4.8132 8.5245 120.4821 60.0598 34.6061 174.2327 6 K 4.6892 9.0556 128.7284 55.5105 33.0940 176.8711 7 T 4.5025 8.8596 119.2112 60.4568 70.1055 175.4189 8 L 3.9316 8.4722 123.1829 58.4834 41.9644 177.8183 9 T 4.0031 7.7865 105.2221 62.3964 68.7491 174.9403 10 G 3.8659 8.2714 110.7697 45.3710 0.0000 172.9915 11 K 4.3097 7.6816 121.6682 55.7007 33.6003 175.6086 12 T 4.9996 8.5533 124.6633 62.4013 69.5424 174.1598 13 I 4.6996 8.5291 120.5999 59.3298 40.8144 174.8017 14 T 4.8847 8.3512 112.9076 60.7099 70.8584 173.7997 15 L 4.6360 8.5909 124.7233 53.6274 45.9667 174.6234 16 E 4.8815 8.7860 125.7868 55.5372 30.2883 175.6621 17 V 4.7037 8.6729 117.5181 59.5618 36.3427 174.7237 18 E 4.6660 9.7876 120.7984 53.9976 32.3324 176.0078 19 P 3.7556 0.0000 0.0000 65.5124 31.5513 177.7436 20 S 4.5647 7.8540 109.6057 58.2736 63.9661 174.0793 21 D 4.4222 8.6824 124.3313 54.7150 41.3274 176.3781 22 T 4.5811 8.2749 113.9386 61.3609 71.1642 175.7323 23 I 3.7010 8.8295 123.5387 64.7088 36.7836 178.5141 24 E 3.9946 7.9700 119.4081 59.7596 29.3650 179.3036 25 N 4.3878 8.1017 116.2934 56.0522 38.5661 177.7453 26 V 3.6049 7.6929 119.8066 65.8217 31.6158 178.2325 27 K 4.4531 8.4278 119.4683 58.8702 31.7410 179.1903 28 A 4.0294 7.6784 120.8672 55.0483 17.9057 179.8754 29 K 3.9347 8.0498 116.7205 59.3677 32.0262 179.6853 30 I 3.8023 7.6749 120.5655 64.0189 37.0089 178.1885 31 Q 4.1659 8.0539 121.8641 58.8334 28.7402 177.6758 32 D 4.3685 8.1172 118.9850 57.0497 40.8885 178.4080 33 K 4.1703 7.4607 118.0473 58.7013 32.7364 177.7661 34 E 4.4752 8.6250 116.6340 55.8752 30.5705 177.2301 35 G 3.9783 7.9481 106.0816 44.8887 0.0000 173.3610 36 I 3.9898 7.4645 121.5650 59.9916 38.0595 173.6449 37 P 4.5398 0.0000 0.0000 61.6341 32.1527 175.8866 38 P 4.3359 0.0000 0.0000 65.3625 31.6308 178.3692 39 D 4.4129 8.1393 117.0331 56.2960 39.5199 177.6153 40 Q 4.1677 8.1180 118.3396 57.7539 29.4215 175.8287 41 Q 4.4333 7.7836 117.9307 55.7564 30.1751 175.5560 42 R 4.7293 8.9927 122.6425 54.5014 33.1202 174.5115 43 L 5.0831 8.4323 124.3255 53.4555 44.1151 175.9067 44 I 5.1230 8.6631 122.9990 59.6685 41.7819 174.1079 45 F 5.2001 8.9536 127.8347 56.9389 42.8905 174.3530 46 A 3.6177 9.1328 128.6628 53.2160 15.8044 177.8038 47 G 3.8976 8.1701 106.0823 46.4123 0.0000 173.8495 48 K 4.5415 7.6749 119.6086 54.3865 34.1575 174.8870 49 Q 4.7261 8.4291 124.1921 55.3119 29.8836 174.9805 50 L 3.9601 8.5494 127.6871 54.3518 42.6217 176.4536 51 E 4.3457 9.2989 123.8370 55.7112 30.7131 176.9355 52 D 4.3688 9.3015 124.8566 57.8133 40.9613 179.4679 53 G 3.7327 8.1059 104.8164 47.2987 0.0000 173.4374 54 R 4.5741 7.9862 119.9036 55.1341 31.7834 175.5249 55 T 5.4702 8.4365 109.6864 59.2517 71.1906 175.5551 56 L 4.2223 8.5207 121.8894 58.1558 41.5774 180.0513 57 S 4.1644 8.0888 113.6641 61.3377 62.6832 175.9478 58 D 4.3449 7.8215 121.8804 57.0494 40.5283 177.5513 59 Y 4.6037 7.8040 114.0908 56.7181 38.3524 175.1470 60 N 4.2522 8.0112 115.7839 54.3088 36.8013 174.2718 61 I 3.9462 7.9097 118.4135 60.4683 38.1432 175.5337 62 Q 4.6462 8.1622 123.6373 52.9788 31.7807 174.6699 63 K 3.9052 8.3815 119.5030 58.4691 32.2762 175.9245 64 E 3.8308 9.3881 124.5062 57.3320 27.6255 174.8032 65 S 4.6105 7.8093 115.4644 58.8763 64.4370 173.1420 66 T 5.1432 8.5724 117.6651 62.0623 70.6187 173.8517 67 L 4.9852 8.9830 126.5279 53.6810 44.6975 175.2062 68 H 5.2271 9.2445 118.7775 54.1882 31.5720 173.7151 69 L 5.1662 8.8734 123.9621 53.4415 44.0516 175.6770 70 V 4.5285 8.6988 126.2923 61.0989 34.5257 174.1417 71 L 5.0338 8.3451 126.0558 53.2613 43.5435 176.1035 72 R 4.1611 8.9136 124.3728 55.9827 30.5768 175.5850 73 L 4.6921 8.5496 126.7306 53.0111 43.4984 176.0748 74 R 4.7491 8.1390 122.0319 54.6573 33.4121 176.0109 75 G 3.7528 8.3477 107.7862 46.4306 0.0000 173.3835 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 4.43 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 Q 8.26 4.59 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 1.83 2.18 0.00 3 I 9.39 4.51 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.02 0.76 0.00 0.00 4 F 8.80 5.56 0.00 3.02 2.91 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 5 V 8.52 4.81 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 0.72 0.00 0.00 0.94 0.00 0.00 6 K 9.06 4.69 0.00 1.77 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.38 7.81 7 T 8.86 4.50 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 1.27 0.00 0.00 8 L 8.47 3.93 0.00 1.62 1.75 0.93 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 9 T 7.79 4.00 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 8.27 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 0.00 0.00 0.00 11 K 7.68 4.31 0.00 1.87 1.69 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.55 5.00 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 13 I 8.53 4.70 1.89 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 1.51 0.80 0.99 0.00 0.00 14 T 8.35 4.88 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 1.37 0.00 0.00 15 L 8.59 4.64 0.00 1.64 1.38 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.79 4.88 0.00 1.84 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 2.21 2.23 0.00 17 V 8.67 4.70 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 0.62 0.00 0.00 0.91 0.00 0.00 18 E 9.79 4.67 0.00 2.03 1.78 0.00 0.00 0.00 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 3.76 0.00 2.16 2.12 0.00 3.56 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 2.08 0.00 20 S 7.85 4.56 0.00 3.97 3.96 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 21 D 8.68 4.42 0.00 2.82 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 8.27 4.58 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 1.22 0.00 0.00 23 I 8.83 3.70 2.16 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 1.86 1.08 0.94 0.00 0.00 24 E 7.97 3.99 0.00 1.98 2.02 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 2.45 2.53 0.00 25 N 8.10 4.39 0.00 3.03 2.85 0.00 0.00 6.63 7.69 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 26 V 7.69 3.60 2.19 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 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.43 4.45 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.49 7.81 28 A 7.68 4.03 1.34 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 0.00 0.00 0.00 29 K 8.05 3.93 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.67 3.80 2.02 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 1.39 0.78 0.91 0.00 0.00 31 Q 8.05 4.17 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 D 8.12 4.37 0.00 2.64 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 33 K 7.46 4.17 0.00 1.74 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 34 E 8.63 4.48 0.00 2.06 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 0.00 2.26 2.44 0.00 35 G 7.95 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 0.00 0.00 0.00 36 I 7.46 3.99 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 1.12 0.91 0.00 0.00 37 P 0.00 4.54 0.00 2.32 1.96 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.34 0.00 2.17 2.10 0.00 3.60 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 8.14 4.41 0.00 2.78 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 40 Q 8.12 4.17 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 41 Q 7.78 4.43 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 42 R 8.99 4.73 0.00 1.89 1.81 0.00 3.11 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 43 L 8.43 5.08 0.00 1.55 1.52 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.66 5.12 1.92 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 1.11 0.74 0.94 0.00 0.00 45 F 8.95 5.20 0.00 2.94 2.77 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 46 A 9.13 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.17 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 48 K 7.67 4.54 0.00 1.96 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.55 7.81 49 Q 8.43 4.73 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 50 L 8.55 3.96 0.00 1.35 1.07 0.68 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.30 4.35 0.00 2.07 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 0.00 2.36 2.37 0.00 52 D 9.30 4.37 0.00 2.75 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 53 G 8.11 3.73 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 0.00 0.00 0.00 54 R 7.99 4.57 0.00 2.33 1.99 0.00 3.15 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 55 T 8.44 5.47 4.48 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 1.26 0.00 0.00 56 L 8.52 4.22 0.00 1.85 1.73 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.09 4.16 0.00 4.09 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 58 D 7.82 4.34 0.00 2.79 2.37 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 59 Y 7.80 4.60 0.00 3.12 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 60 N 8.01 4.25 0.00 3.05 2.99 0.00 0.00 6.88 6.80 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 61 I 7.91 3.95 1.89 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 0.42 0.62 0.59 0.00 0.00 62 Q 8.16 4.65 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 63 K 8.38 3.91 0.00 1.68 1.72 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.56 7.81 64 E 9.39 3.83 0.00 2.20 2.32 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 2.36 2.25 0.00 65 S 7.81 4.61 0.00 3.64 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 5.14 4.35 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 1.21 0.00 0.00 67 L 8.98 4.99 0.00 1.56 1.57 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.24 5.23 0.00 3.06 3.22 0.00 5.55 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 69 L 8.87 5.17 0.00 1.57 1.66 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.70 4.53 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.35 5.03 0.00 1.57 1.57 0.92 0.95 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 8.91 4.16 0.00 1.77 1.85 0.00 3.22 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.55 4.69 0.00 1.65 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.14 4.75 0.00 1.75 1.80 0.00 3.24 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 1.51 1.58 0.00 75 G 8.35 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 0.00 0.00 0.00