NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4173 8.3049 118.1920 54.4305 33.3973 175.2003 2 K 4.3884 7.6799 117.6597 54.0207 34.8153 175.1598 3 K 4.2563 8.6919 122.2296 56.1629 33.3740 176.0796 4 V 4.2903 8.4637 126.3597 62.8128 31.5429 176.0123 5 V 4.2944 8.4921 120.6781 62.3262 33.2165 175.8958 6 A 4.5727 7.4550 120.3918 50.7112 22.6167 175.6398 7 V 4.3937 7.9932 118.9112 59.5827 31.9348 174.1279 8 V 3.7220 8.8055 129.3555 63.3187 32.9726 174.3325 9 K 4.9017 8.5818 126.9643 54.8590 33.6753 175.4276 10 L 4.8829 8.8685 124.8229 52.8097 45.9897 175.8001 11 Q 5.0013 8.6139 119.3991 54.3268 31.3577 174.9305 12 L 4.8556 8.7120 123.9047 51.8163 45.6850 174.5855 13 P 4.7323 0.0000 0.0000 62.3654 32.5571 175.8598 14 A 3.9993 8.3647 128.2182 53.4384 18.6712 177.6523 15 G 4.0243 9.0555 110.9477 46.1961 0.0000 173.8079 16 K 4.6443 7.8892 117.4087 55.6520 33.3366 176.6236 17 A 4.1887 8.5739 121.7410 52.1848 19.0272 177.7024 18 T 4.7443 7.7845 109.5859 59.3867 72.1263 172.4482 19 P 4.3100 0.0000 0.0000 64.5319 31.6424 177.1067 20 A 4.1255 7.7032 120.5791 50.9718 18.9214 175.2860 21 P 4.3369 0.0000 0.0000 62.6097 31.9466 175.2826 22 P 4.4003 0.0000 0.0000 64.7016 32.4477 178.5925 23 V 3.5315 7.9431 119.0752 66.6162 31.3237 177.0106 24 G 3.8273 8.5434 105.7323 47.0187 0.0000 173.1030 25 P 4.1733 0.0000 0.0000 64.9982 31.1453 178.4690 26 A 3.8566 7.9037 119.5935 54.9819 18.6618 179.0937 27 L 4.1842 7.8642 117.0371 56.8375 42.0085 179.4406 28 G 3.7184 8.1766 106.3657 47.9933 0.0000 175.6089 29 Q 4.0850 7.7185 118.1663 58.0722 28.2828 177.1939 30 H 4.8370 8.0445 117.0940 54.7093 29.0775 175.4227 31 G 4.1731 8.0525 108.2019 45.8805 0.0000 174.2567 32 A 4.7061 7.1804 121.1056 51.0824 19.1853 178.8241 33 N 4.6956 8.9447 118.1822 52.6763 38.9290 175.7920 34 I 3.6558 8.2214 129.1934 64.8594 37.4409 178.2034 35 M 4.1868 8.1515 118.6846 58.2018 31.8298 178.5419 36 E 4.1435 8.5176 118.7104 59.3252 29.5925 179.1512 37 F 4.4104 8.3557 120.3511 61.4772 39.3423 177.2972 38 V 3.1325 7.9117 117.8697 65.8736 30.9097 177.8245 39 K 3.9861 8.1860 119.0676 59.0122 32.0344 178.8118 40 A 4.1548 8.1290 121.3715 54.9360 18.3766 179.3930 41 F 3.6871 8.4927 119.7646 61.5475 39.2716 177.2915 42 N 4.3116 7.7217 114.2701 55.8575 38.2928 177.0762 43 A 4.0996 7.4949 121.4683 55.0236 18.6611 179.3008 44 A 4.1502 7.7623 117.7081 54.0530 18.4121 178.2991 45 T 4.3070 7.2007 106.4138 61.3566 69.1176 175.3799 46 A 4.2013 7.9745 127.3525 55.3041 19.0812 179.5843 47 N 4.5600 8.1045 112.4816 55.7689 38.6003 175.3982 48 M 4.6898 7.3695 119.8425 53.6150 30.1297 177.7496 49 G 3.8209 10.0929 105.3758 45.0309 0.0000 174.0370 50 D 4.6923 8.9773 123.2024 54.5252 41.5628 174.0302 51 A 4.3543 7.5478 120.3913 51.5918 19.8301 176.7852 52 I 4.0130 8.2619 121.2682 61.0725 38.4337 175.9235 53 V 4.3586 8.7301 126.7343 60.3426 33.9108 172.6616 54 P 5.0849 0.0000 0.0000 62.4449 32.6534 176.0314 55 V 5.0573 9.4447 123.7550 60.1039 35.1654 174.2268 56 E 5.0127 9.1084 124.4155 54.9161 31.3155 174.7814 57 I 4.6495 8.5242 126.9325 60.3294 39.2238 175.1669 58 T 4.5562 8.8370 124.3431 62.0430 70.5239 173.7408 59 I 4.7311 7.9418 126.5425 59.8786 40.0193 175.1686 60 Y 5.0242 8.1428 124.0508 56.5353 40.5347 176.2258 61 A 4.0186 8.6020 122.4229 55.8524 18.4162 178.4754 62 D 4.6890 8.1312 112.3405 53.4419 39.7034 177.1428 63 R 4.0865 8.0631 116.8511 56.8611 28.4017 176.1759 64 S 5.0860 7.8699 113.0894 58.1598 64.9239 172.7399 65 F 6.1251 8.2160 113.6153 56.2560 40.5865 173.6480 66 T 5.0979 8.7568 109.3202 60.3784 72.3262 172.2360 67 F 6.0301 8.2013 116.9961 54.1608 42.1901 174.1453 68 V 4.5182 8.5085 117.5987 61.4550 33.9375 174.3097 69 T 5.0075 8.8120 118.3931 61.2858 70.4438 173.7917 70 K 4.9459 8.5593 121.7120 55.1696 36.8105 175.6055 71 T 4.5593 8.4887 112.3389 60.6326 71.0674 172.7429 72 P 4.6551 0.0000 0.0000 62.1088 31.9196 170.3337 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 8.30 4.42 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 2 K 7.68 4.39 0.00 1.48 1.79 0.00 1.14 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.34 7.81 3 K 8.69 4.26 0.00 1.77 1.80 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.47 7.81 4 V 8.46 4.29 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 0.73 0.00 0.00 1.06 0.00 0.00 5 V 8.49 4.29 2.10 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 0.73 0.00 0.00 1.02 0.00 0.00 6 A 7.45 4.57 0.81 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 0.00 0.00 7 V 7.99 4.39 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 0.70 0.00 0.00 0.91 0.00 0.00 8 V 8.81 3.72 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 0.86 0.00 0.00 0.77 0.00 0.00 9 K 8.58 4.90 0.00 1.63 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.42 7.81 10 L 8.87 4.88 0.00 1.47 1.42 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.61 5.00 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 12 L 8.71 4.86 0.00 1.21 1.29 0.26 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.73 0.00 2.11 2.00 0.00 3.59 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 2.12 2.11 0.00 14 A 8.36 4.00 1.30 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 0.00 0.00 0.00 15 G 9.06 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 16 K 7.89 4.64 0.00 1.83 1.78 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 17 A 8.57 4.19 1.14 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 0.00 0.00 0.00 18 T 7.78 4.74 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 19 P 0.00 4.31 0.00 2.19 2.13 0.00 3.59 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 2.11 2.08 0.00 20 A 7.70 4.13 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 21 P 0.00 4.34 0.00 2.02 1.99 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 22 P 0.00 4.40 0.00 2.21 2.24 0.00 3.37 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 23 V 7.94 3.53 2.25 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 1.12 0.00 0.00 0.94 0.00 0.00 24 G 8.54 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.17 0.00 2.23 2.30 0.00 3.66 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 2.22 2.01 0.00 26 A 7.90 3.86 1.25 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 0.00 0.00 0.00 27 L 7.86 4.18 0.00 1.56 1.50 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.18 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 0.00 0.00 0.00 29 Q 7.72 4.09 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.06 0.00 30 H 8.04 4.84 0.00 3.32 3.30 0.00 5.91 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 31 G 8.05 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 0.00 0.00 0.00 0.00 32 A 7.18 4.71 1.17 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 0.00 0.00 33 N 8.94 4.70 0.00 3.01 3.30 0.00 0.00 6.91 7.64 0.00 0.00 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 I 8.22 3.66 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.92 0.00 0.00 35 M 8.15 4.19 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 36 E 8.52 4.14 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 37 F 8.36 4.41 0.00 2.47 3.01 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 38 V 7.91 3.13 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 0.93 0.00 0.00 1.00 0.00 0.00 39 K 8.19 3.99 0.00 2.14 1.84 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.52 7.81 40 A 8.13 4.15 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 0.00 0.00 0.00 0.00 0.00 41 F 8.49 3.69 0.00 1.77 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.31 0.00 2.81 2.87 0.00 0.00 7.13 7.23 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 43 A 7.49 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.20 4.31 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 46 A 7.97 4.20 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 47 N 8.10 4.56 0.00 2.82 2.95 0.00 0.00 6.01 7.66 0.00 0.00 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 M 7.37 4.69 0.00 2.12 1.35 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 G 10.09 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.98 4.69 0.00 2.82 2.86 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 51 A 7.55 4.35 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 52 I 8.26 4.01 1.90 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 1.25 0.86 0.94 0.00 0.00 53 V 8.73 4.36 2.48 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 1.11 0.00 0.00 0.95 0.00 0.00 54 P 0.00 5.08 0.00 2.17 2.00 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 55 V 9.44 5.06 2.46 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 0.80 0.00 0.00 1.26 0.00 0.00 56 E 9.11 5.01 0.00 2.03 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 2.25 2.29 0.00 57 I 8.52 4.65 1.59 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.51 0.64 0.00 0.00 58 T 8.84 4.56 4.18 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 0.00 0.00 0.83 0.00 0.00 59 I 7.94 4.73 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.91 0.00 0.00 60 Y 8.14 5.02 0.00 2.98 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 61 A 8.60 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.13 4.69 0.00 2.82 2.79 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 63 R 8.06 4.09 0.00 2.19 2.40 0.00 3.16 0.00 0.00 3.47 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 64 S 7.87 5.09 0.00 3.94 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 65 F 8.22 6.13 0.00 3.12 3.04 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 0.00 0.00 0.00 66 T 8.76 5.10 4.29 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 1.23 0.00 0.00 67 F 8.20 6.03 0.00 3.23 3.23 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 0.00 68 V 8.51 4.52 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 1.09 0.00 0.00 0.99 0.00 0.00 69 T 8.81 5.01 4.33 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 1.49 0.00 0.00 70 K 8.56 4.95 0.00 1.69 1.78 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.42 7.81 71 T 8.49 4.56 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 1.22 0.00 0.00 72 P 0.00 4.66 0.00 2.04 1.76 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00