NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3710 8.0333 115.2501 60.4592 70.1880 174.6072 2 S 3.1939 7.7258 116.4008 59.9341 61.4167 171.7679 3 L 4.2183 9.0167 127.1144 58.3979 42.9597 177.8682 4 I 3.6543 7.5148 119.0934 65.1295 37.2101 177.8105 5 H 4.4234 7.9737 115.9090 58.1916 28.5040 178.0575 6 S 4.1830 7.9858 116.5613 61.3854 62.7677 176.5983 7 L 4.0139 7.8198 122.1886 57.4959 41.4992 179.3217 8 I 3.7076 7.5600 119.9850 64.2070 36.9373 178.1012 9 E 3.9202 8.6186 120.5940 59.5062 29.3084 178.8478 10 E 3.9664 8.1042 117.2631 59.0933 29.8086 179.0372 11 S 4.2133 8.3853 113.7508 61.3373 62.6006 175.8898 12 Q 3.9509 8.4758 122.6225 59.4855 28.3399 178.1412 13 N 4.5153 8.4389 117.4902 56.2637 38.4338 177.1076 14 Q 4.0512 7.9332 120.5290 58.8427 28.7277 178.0512 15 Q 4.0279 7.9507 119.3180 58.9120 28.8399 178.4176 16 E 4.1566 8.1134 119.2374 59.0816 29.5333 179.1815 17 K 3.9459 7.7660 119.0576 59.6944 32.2725 178.7780 18 N 4.4171 8.5985 117.4896 55.9833 38.3814 177.3793 19 E 3.9674 8.6297 119.9901 59.4746 29.7854 179.2766 20 Q 3.9904 8.0578 118.4278 58.6928 28.7126 178.2707 21 E 3.9414 8.3141 120.6828 59.2992 29.3539 179.0855 22 L 4.1109 8.1626 120.4320 57.8634 41.8649 178.7216 23 L 4.0794 7.9761 120.0617 57.6568 42.0580 178.3221 24 E 4.0606 8.1675 118.6725 58.5362 30.5981 178.0179 25 L 4.7934 8.2614 118.1339 53.3437 41.3109 176.9908 26 D 4.6679 7.4094 116.6766 53.9563 40.4199 177.4097 27 G 4.1598 7.9876 107.3324 44.9036 0.0000 172.1959 28 D 4.6008 7.9728 118.3829 52.5902 42.2584 174.4396 29 G 3.7939 8.7799 107.3122 43.6713 0.0000 171.4136 30 P 4.4885 0.0000 0.0000 62.1177 32.1758 177.5862 31 Q 3.9823 8.7481 119.6119 58.9762 28.5197 178.7237 32 L 3.8995 8.0871 121.0643 58.4949 41.9921 178.7998 33 L 3.9894 8.1219 120.1173 58.0102 41.8277 178.7536 34 S 4.4112 7.9121 112.7760 60.1394 63.2235 175.6632 35 G 3.8623 7.7363 108.9705 46.5547 0.0000 175.5966 36 I 3.6827 7.7592 122.1680 64.5141 35.6324 178.4436 37 V 3.9666 7.6086 119.8152 65.3613 31.3197 177.7192 38 Q 4.2148 7.9254 118.5309 58.8464 29.1998 177.4479 39 Q 4.0175 8.4054 121.2097 58.9980 28.7797 177.9890 40 Q 4.0698 8.7099 119.0655 58.9393 28.6085 177.9857 41 N 4.5122 7.5895 119.5500 56.0079 38.9806 176.6628 42 N 4.5284 8.0551 117.6409 55.8113 38.4847 177.2745 43 L 3.9266 8.0327 122.1110 57.8975 42.1862 178.5908 44 L 3.9186 8.0717 120.4712 58.3015 41.9593 178.8858 45 R 3.8833 8.4605 118.7351 59.3583 29.9536 178.3816 46 A 3.9692 8.0756 120.5496 55.1010 18.4191 179.4975 47 I 3.6248 8.0768 118.8022 64.6343 37.1468 178.2618 48 E 3.9265 8.5977 120.1107 59.2182 29.4688 178.6895 49 A 4.0023 8.2922 121.0687 55.2865 18.3999 179.6343 50 Q 3.9463 8.5697 117.0169 59.1251 28.7366 178.6656 51 Q 3.9949 8.5782 121.0083 59.6624 29.0491 178.0812 52 H 4.3838 8.6052 119.3313 59.1786 29.7775 177.2802 53 L 4.0693 8.0731 121.0723 57.4745 41.4315 179.2751 54 L 4.0153 8.3838 119.5703 57.8613 41.5466 179.5405 55 Q 4.0487 8.3501 118.1514 58.8690 28.6222 178.6399 56 L 4.2187 7.9189 121.6621 58.3348 42.1035 179.1763 57 T 3.9638 8.2739 110.2836 64.8795 69.0358 177.1383 58 V 3.7350 7.9478 122.2316 63.7082 31.4598 178.2971 59 W 4.2875 8.6328 129.4508 60.3484 30.6308 177.8700 60 G 3.5726 8.4092 106.2186 48.1221 0.0000 175.4312 61 I 3.6949 8.0292 123.1031 63.8428 36.9885 178.8053 62 K 3.9365 7.5765 118.2282 59.4295 31.8224 179.5276 63 Q 3.7909 7.7046 118.3616 58.7043 28.4217 178.7779 64 L 3.8677 8.0870 120.5022 57.7984 41.5897 179.3173 65 Q 3.8811 8.3030 119.5686 59.0924 28.7372 178.1312 66 A 3.9446 8.0251 121.1712 54.8867 18.1676 179.3469 67 R 4.1005 7.5125 116.0454 58.8355 30.3508 178.8650 68 I 3.6559 7.9559 118.8075 64.0165 37.8525 177.6315 69 L 4.1473 8.0671 119.3403 57.1018 42.0233 177.7551 70 A 4.3023 7.4701 118.2752 53.3161 18.7499 177.8376 71 V 4.1978 7.4321 114.2781 63.2852 34.1378 174.9333 72 E 4.1400 8.4786 121.8343 56.4528 29.3655 176.3891 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 T 8.03 4.37 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 1.21 0.00 0.00 2 S 7.73 3.19 0.00 3.83 3.47 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 0.00 3 L 9.02 4.22 0.00 1.73 1.59 0.91 0.89 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 4 I 7.51 3.65 1.88 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 1.55 0.82 0.93 0.00 0.00 5 H 7.97 4.42 0.00 3.29 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.99 4.18 0.00 4.09 4.12 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 7 L 7.82 4.01 0.00 1.80 1.76 0.92 0.89 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 8 I 7.56 3.71 2.02 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 1.42 0.70 0.98 0.00 0.00 9 E 8.62 3.92 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 10 E 8.10 3.97 0.00 2.05 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 2.49 2.46 0.00 11 S 8.39 4.21 0.00 4.07 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 12 Q 8.48 3.95 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 13 N 8.44 4.52 0.00 2.83 2.85 0.00 0.00 7.03 8.43 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 14 Q 7.93 4.05 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 15 Q 7.95 4.03 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 16 E 8.11 4.16 0.00 2.22 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 2.39 2.42 0.00 17 K 7.77 3.95 0.00 1.84 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 N 8.60 4.42 0.00 2.86 2.84 0.00 0.00 7.20 7.21 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 19 E 8.63 3.97 0.00 2.16 2.36 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 2.48 2.31 0.00 20 Q 8.06 3.99 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 21 E 8.31 3.94 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 22 L 8.16 4.11 0.00 1.84 1.86 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.98 4.08 0.00 1.78 1.85 0.92 0.91 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 24 E 8.17 4.06 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 25 L 8.26 4.79 0.00 1.71 1.72 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.41 4.67 0.00 2.78 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 27 G 7.99 4.16 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 0.00 0.00 0.00 28 D 7.97 4.60 0.00 2.77 2.71 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 0.00 0.00 0.00 0.00 29 G 8.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.23 2.18 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 31 Q 8.75 3.98 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 32 L 8.09 3.90 0.00 1.70 1.69 0.92 0.55 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 33 L 8.12 3.99 0.00 1.88 1.65 0.92 0.66 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 34 S 7.91 4.41 0.00 4.01 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 35 G 7.74 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.76 3.68 2.01 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 1.53 0.78 0.91 0.00 0.00 37 V 7.61 3.97 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 1.31 0.00 0.00 0.98 0.00 0.00 38 Q 7.93 4.21 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 39 Q 8.41 4.02 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 40 Q 8.71 4.07 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 41 N 7.59 4.51 0.00 2.93 3.03 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.06 4.53 0.00 2.99 2.85 0.00 0.00 6.61 6.28 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 43 L 8.03 3.93 0.00 1.86 1.79 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.07 3.92 0.00 1.95 1.81 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.46 3.88 0.00 1.93 2.15 0.00 3.14 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 1.65 0.00 46 A 8.08 3.97 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 47 I 8.08 3.62 2.02 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 1.41 0.66 0.92 0.00 0.00 48 E 8.60 3.93 0.00 2.04 2.16 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 2.29 2.35 0.00 49 A 8.29 4.00 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 50 Q 8.57 3.95 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 51 Q 8.58 3.99 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 52 H 8.61 4.38 0.00 3.34 3.47 0.00 5.83 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 53 L 8.07 4.07 0.00 1.88 1.71 0.94 0.73 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 54 L 8.38 4.02 0.00 1.86 1.75 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.35 4.05 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 56 L 7.92 4.22 0.00 1.91 1.87 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.27 3.96 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 1.30 0.00 0.00 58 V 7.95 3.73 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 0.97 0.00 0.00 0.96 0.00 0.00 59 W 8.63 4.29 0.00 3.45 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.69 1.84 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 1.49 0.71 0.88 0.00 0.00 62 K 7.58 3.94 0.00 1.99 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.65 7.81 63 Q 7.70 3.79 0.00 1.65 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 64 L 8.09 3.87 0.00 1.69 1.63 0.79 0.84 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 65 Q 8.30 3.88 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 66 A 8.03 3.94 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 67 R 7.51 4.10 0.00 2.12 1.94 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 68 I 7.96 3.66 2.00 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 1.39 1.59 1.02 0.00 0.00 69 L 8.07 4.15 0.00 1.71 1.73 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.47 4.30 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 7.43 4.20 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 0.84 0.00 0.00 0.97 0.00 0.00 72 E 8.48 4.14 0.00 2.08 2.05 0.00 0.00 0.00 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 2.24 0.00