NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4653 8.3349 115.4135 58.4568 64.6803 173.2675 7 L 4.3011 8.1020 118.3188 55.3286 42.6743 176.9627 8 Q 3.9317 8.8401 120.5247 59.7276 29.2517 177.9597 9 D 4.3811 7.6665 119.2116 57.0328 40.9602 177.0694 10 P 4.3969 0.0000 0.0000 66.0809 31.3134 177.6592 11 Y 4.0150 8.1596 119.1032 60.6754 38.8124 178.2169 12 L 3.7702 8.2759 120.2697 57.5792 41.4966 179.0536 13 N 4.6272 8.7815 117.4979 56.9268 38.7920 177.1976 14 T 3.8270 8.0094 117.2226 66.6661 68.5678 176.7252 15 L 3.8409 7.5312 120.3985 57.8904 41.5185 179.2539 16 R 4.1305 8.1022 119.2747 58.6939 29.9231 178.1807 17 K 3.8535 8.6602 118.7016 60.0042 32.4767 177.3605 18 E 4.3409 8.4168 116.0937 55.0600 29.5514 176.0727 19 R 3.7114 8.0517 117.3082 56.9922 28.3771 176.5992 20 V 3.9115 7.6940 116.7556 61.8768 32.5781 174.2332 21 P 4.6405 0.0000 0.0000 62.8899 32.6819 175.7132 22 V 4.9333 9.2275 116.1799 59.8714 37.0741 174.3318 23 S 4.9866 9.1002 117.3236 56.9377 66.0860 173.4751 24 I 4.8954 8.8383 126.2930 59.8571 39.3302 174.2450 25 Y 4.8552 9.0747 126.1032 56.8793 39.5034 175.6474 26 L 4.8779 8.9336 124.4492 53.7984 43.2597 178.5638 27 V 3.7258 9.0178 115.1837 63.7685 31.5410 177.0519 28 N 4.6838 8.0827 115.5141 52.3890 37.7770 174.6124 29 G 4.1867 8.5290 108.1167 45.8274 0.0000 174.7612 30 I 3.8325 8.1533 120.1494 61.6189 38.3796 175.1276 31 K 4.5426 8.5138 126.4819 54.5639 33.9866 174.9945 32 L 4.8185 8.6499 127.4670 53.1486 44.4941 175.5433 33 Q 4.9054 9.5439 119.8003 53.7192 32.8683 176.6645 34 G 3.8359 6.8932 107.0574 45.9624 0.0000 170.8871 35 Q 4.8787 8.1463 119.0497 53.8123 32.7846 175.2808 36 I 4.1817 8.3786 124.1060 61.8030 37.1295 175.4298 37 E 4.3288 9.3703 129.8478 58.4665 30.4522 175.9163 38 S 4.4736 7.3811 111.5475 58.1735 65.3428 173.1799 39 F 5.0240 7.2880 113.3880 56.7242 39.6056 172.9939 40 D 4.6754 8.7236 120.4842 52.4630 41.2413 174.9328 41 Q 3.8921 8.7953 117.9364 58.8013 29.3627 177.7379 42 F 5.1570 9.1081 114.8618 57.1581 42.2467 175.4063 43 V 4.9972 8.1610 110.3238 59.5321 36.6025 174.3492 44 I 5.0395 8.5831 122.2711 59.5791 40.9160 174.5356 45 L 4.8269 9.0830 130.1437 54.0506 42.9958 174.8460 46 L 5.1983 8.8367 129.8485 53.5156 44.4248 175.2749 47 K 4.9424 8.4763 123.4345 56.0968 36.3784 173.1228 48 N 4.4345 8.2586 126.9613 54.5171 44.8914 175.6700 49 T 4.0438 6.6324 109.6956 63.9800 68.1351 173.7438 50 V 4.4372 7.4120 119.3587 60.8182 34.6527 173.4939 51 S 5.0823 8.3894 120.8435 57.5153 63.7032 172.8965 52 Q 4.6148 8.8189 121.8655 55.6308 32.1245 172.2849 53 M 4.7085 8.5978 121.1261 54.2777 33.7009 174.9944 54 V 4.3987 8.6094 126.6578 61.1154 34.3383 174.3797 55 Y 4.4351 8.5384 125.8376 57.4076 38.6855 176.7695 56 K 4.0384 9.5139 125.2509 59.7613 32.3565 178.9210 57 H 4.2352 8.3566 112.5620 57.6029 28.6224 175.5803 58 A 4.5627 8.0942 122.3466 52.1255 19.5115 176.3106 59 I 4.6931 7.7537 118.0285 60.1987 38.5660 175.4648 60 S 4.7883 9.1844 120.2089 60.0288 64.3469 174.5177 61 T 4.7729 7.7670 109.0705 59.5738 72.4393 172.7623 62 V 4.7244 8.4874 122.5934 61.3883 33.8790 174.7519 63 V 4.4655 9.0798 129.3439 60.5020 33.3771 173.3235 64 P 4.8439 0.0000 0.0000 62.4301 31.5884 177.1006 65 S 4.5070 8.7251 117.4992 60.6507 63.5791 174.2879 66 R 4.7059 7.6708 114.7489 53.5335 32.2357 172.8353 67 P 4.4181 0.0000 0.0000 63.0824 31.8556 176.2598 68 V 4.4637 7.8259 113.2395 59.1058 35.6916 175.2441 69 R 3.9510 8.4396 121.6728 56.5565 29.9697 176.1962 70 L 4.5312 8.3027 125.6566 53.3695 42.8403 175.2628 71 P 4.4626 0.0000 0.0000 62.9924 31.2372 176.4498 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 6 S 8.33 4.47 0.00 3.98 3.97 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 7 L 8.10 4.30 0.00 1.70 1.65 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.84 3.93 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 9 D 7.67 4.38 0.00 2.86 2.84 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 10 P 0.00 4.40 0.00 2.31 2.36 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 11 Y 8.16 4.01 0.00 3.16 3.17 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 0.00 12 L 8.28 3.77 0.00 0.92 0.58 0.38 0.34 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 13 N 8.78 4.63 0.00 3.18 2.99 0.00 0.00 7.18 7.11 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 14 T 8.01 3.83 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 1.17 0.00 0.00 15 L 7.53 3.84 0.00 1.72 1.59 0.58 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.10 4.13 0.00 2.14 2.17 0.00 3.26 0.00 0.00 3.32 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 17 K 8.66 3.85 0.00 1.85 2.01 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.44 7.81 18 E 8.42 4.34 0.00 2.08 1.98 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 2.28 2.25 0.00 19 R 8.05 3.71 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 20 V 7.69 3.91 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 0.69 0.00 0.00 0.94 0.00 0.00 21 P 0.00 4.64 0.00 2.10 1.94 0.00 3.58 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 2.10 2.10 0.00 22 V 9.23 4.93 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 0.82 0.00 0.00 0.96 0.00 0.00 23 S 9.10 4.99 0.00 3.81 3.48 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 24 I 8.84 4.90 1.84 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 1.25 0.81 0.94 0.00 0.00 25 Y 9.07 4.86 0.00 2.95 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 26 L 8.93 4.88 0.00 1.82 1.71 0.94 0.81 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 27 V 9.02 3.73 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 0.74 0.00 0.00 1.01 0.00 0.00 28 N 8.08 4.68 0.00 2.82 2.94 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.53 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 0.00 0.00 0.00 30 I 8.15 3.83 1.93 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 1.36 0.97 0.90 0.00 0.00 31 K 8.51 4.54 0.00 1.39 1.49 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.95 0.39 7.81 32 L 8.65 4.82 0.00 1.52 1.48 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.54 4.91 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 34 G 6.89 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 0.00 0.00 0.00 35 Q 8.15 4.88 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 36 I 8.38 4.18 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 1.07 0.00 0.00 37 E 9.37 4.33 0.00 1.94 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 2.28 2.25 0.00 38 S 7.38 4.47 0.00 3.83 3.85 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 39 F 7.29 5.02 0.00 3.22 3.03 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 0.00 0.00 0.00 40 D 8.72 4.68 0.00 2.72 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 41 Q 8.80 3.89 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 42 F 9.11 5.16 0.00 3.06 3.17 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 0.00 43 V 8.16 5.00 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 0.39 0.00 0.00 1.01 0.00 0.00 44 I 8.58 5.04 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.95 0.00 0.00 45 L 9.08 4.83 0.00 1.74 1.57 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.84 5.20 0.00 1.79 1.48 0.96 0.68 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 47 K 8.48 4.94 0.00 1.82 1.82 0.00 1.40 0.00 0.00 1.90 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.36 7.81 48 N 8.26 4.43 0.00 2.76 2.13 0.00 0.00 7.13 7.58 0.00 0.00 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 T 6.63 4.04 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 1.20 0.00 0.00 50 V 7.41 4.44 2.07 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 0.94 0.00 0.00 0.92 0.00 0.00 51 S 8.39 5.08 0.00 3.91 3.72 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 52 Q 8.82 4.61 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 53 M 8.60 4.71 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 54 V 8.61 4.40 2.07 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 1.02 0.00 0.00 0.92 0.00 0.00 55 Y 8.54 4.44 0.00 2.93 2.44 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 56 K 9.51 4.04 0.00 1.97 1.94 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.52 7.81 57 H 8.36 4.24 0.00 3.27 3.55 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.09 4.56 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 59 I 7.75 4.69 2.03 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 1.39 0.86 1.04 0.00 0.00 60 S 9.18 4.79 0.00 3.84 4.01 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 61 T 7.77 4.77 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 1.17 0.00 0.00 62 V 8.49 4.72 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 0.91 0.00 0.00 0.98 0.00 0.00 63 V 9.08 4.47 2.29 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 1.09 0.00 0.00 1.05 0.00 0.00 64 P 0.00 4.84 0.00 2.12 1.92 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 65 S 8.73 4.51 0.00 3.90 4.03 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 0.00 0.00 0.00 66 R 7.67 4.71 0.00 1.88 1.88 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 67 P 0.00 4.42 0.00 2.07 2.04 0.00 3.62 0.00 0.00 3.66 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 68 V 7.83 4.46 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 0.72 0.00 0.00 0.83 0.00 0.00 69 R 8.44 3.95 0.00 1.77 1.86 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 70 L 8.30 4.53 0.00 1.72 1.65 0.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.46 0.00 2.08 2.01 0.00 3.83 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 2.38 2.18 0.00