NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4212 8.3044 118.1986 54.8264 32.1238 175.0694 2 K 4.0401 8.4534 125.2077 54.3930 33.1593 172.3941 3 E 4.1440 8.4454 122.8476 55.9459 31.2232 175.4725 4 G 3.6971 8.5546 110.0265 47.6466 0.0000 174.0491 5 I 3.0202 8.2534 117.5614 62.6782 33.6716 172.1956 6 H 4.4397 8.2907 119.0167 54.2390 30.7013 171.1919 7 P 4.0877 0.0000 0.0000 62.8749 30.5406 175.7521 8 K 3.3431 7.9167 120.7496 56.6895 32.7136 174.5014 9 L 3.8459 8.3038 126.6529 55.0496 39.7091 172.9601 10 V 4.7179 7.4526 120.2223 58.1604 34.4327 173.9203 11 P 4.1887 0.0000 0.0000 63.9237 31.7500 174.7405 12 A 4.2639 8.3082 120.6118 52.2357 21.8485 175.0511 13 R 4.3630 7.9492 116.3501 56.2998 33.2551 175.3537 14 I 5.2015 7.4735 126.0822 61.6725 40.7138 172.9871 15 I 5.0795 8.1373 123.1673 58.3218 41.6654 176.1810 16 C 5.1162 8.3507 121.0059 58.4468 33.3033 178.3044 17 G 4.0399 8.3912 109.5030 47.8437 0.0000 171.2219 18 C 4.9399 7.4693 112.0415 55.5269 39.7294 173.8771 19 G 3.8043 8.4394 104.4242 44.8685 0.0000 171.2569 20 N 5.2602 8.0999 115.4719 52.4154 43.0131 174.2121 21 V 4.2917 8.1239 124.0327 61.2665 33.8750 175.5713 22 I 3.3480 9.0295 128.6254 63.4297 38.0137 182.4620 23 E 2.9278 10.6928 126.5923 54.4745 30.4593 175.4982 24 T 3.3488 6.2778 115.8151 59.4201 71.2125 172.3140 25 Y 3.7008 7.5502 119.8900 57.5576 35.7892 171.1118 26 S 4.6419 7.5558 111.4226 56.4731 66.4868 174.4651 27 T 3.8312 8.4897 113.7423 62.3988 68.8725 172.8411 28 K 3.7127 8.4663 121.7633 56.1338 29.3502 172.1787 29 P 4.2156 0.0000 0.0000 63.3999 32.2613 174.6141 30 E 4.2093 9.8036 126.1643 56.4240 29.1844 173.9133 31 I 4.5936 7.9138 122.5225 59.9683 41.9267 174.0477 32 Y 5.6353 8.4028 128.0896 54.7741 37.4632 174.6856 33 V 3.4971 7.7766 123.4402 62.5331 32.4085 174.3918 34 E 3.8957 8.7788 119.0976 57.1369 30.2177 176.5014 35 V 4.3784 7.0566 128.2904 60.5015 33.0070 174.8646 36 C 4.4655 9.0100 129.8141 58.8304 41.1377 173.6513 37 S 4.1827 9.8063 114.2172 59.5105 64.1999 175.6779 38 K 4.2541 9.3845 119.5608 56.9633 30.1002 177.2855 39 C 4.2500 7.7867 118.6349 60.6681 31.6491 172.6098 40 H 4.3500 7.5172 115.6845 55.8997 27.2714 173.4854 41 P 4.3428 0.0000 0.0000 64.4096 31.1091 175.3409 42 F 3.6062 9.2015 116.0527 56.9285 36.5562 176.3529 43 Y 3.2887 6.1233 116.0981 59.6677 41.1045 174.2318 44 T 3.5696 6.5372 114.6402 64.8737 69.1412 175.4942 45 G 3.6947 8.4704 114.5497 45.8340 0.0000 174.5826 46 Q 3.0948 7.6325 112.2710 57.5969 27.2201 174.3294 47 Q 3.7984 7.5673 130.6816 59.4012 29.9744 177.3709 48 R 4.1579 7.4214 117.3623 56.6171 30.4118 177.4866 49 F 3.9067 6.7341 113.7130 56.7297 35.3259 176.3410 50 V 4.9557 8.4666 129.6298 65.4163 34.2240 172.9131 51 D 4.2437 6.8545 116.1100 55.5006 36.6304 174.5667 52 T 4.3717 8.0819 120.2021 60.9178 69.0416 173.2160 53 E 5.7339 7.9213 134.6576 56.3327 31.8326 178.3953 54 G 4.2139 7.7839 112.5978 44.7478 0.0000 172.7479 55 R 4.8177 7.9957 120.7764 56.9595 34.9259 175.4052 56 V 4.4386 7.7471 114.0785 62.8611 32.6792 175.5229 57 E 4.3460 7.7736 119.4828 56.8768 29.8022 176.7408 58 R 4.5285 7.8941 118.9367 56.4713 31.0524 177.1505 59 F 4.8902 8.2642 120.6194 60.0397 41.8513 175.8250 60 Q 3.8889 8.3472 118.8870 56.5504 26.9856 177.5229 61 R 4.0403 5.8400 119.2206 56.3098 30.5875 174.1608 62 R 3.7746 8.6885 115.2249 57.1827 29.2473 176.8461 63 Y 4.7477 8.0845 116.1377 59.5448 38.4272 177.7865 64 G 3.1929 7.0790 105.8179 46.7989 0.0000 174.3201 65 D 4.5523 7.7515 118.3020 52.7345 40.6386 174.3052 66 S 5.0693 6.8316 119.0522 57.3880 59.5511 175.7994 67 Y 5.2777 7.8574 111.6231 54.2183 42.1231 178.8844 68 R 4.5713 8.5528 115.9086 57.4599 28.7353 177.5529 69 K 3.6373 8.7646 108.9578 58.4748 28.8642 178.5058 70 G 2.0214 6.7730 113.0053 45.0091 0.0000 172.1977 71 R 4.8155 8.0618 127.1720 55.4781 30.1932 175.8826 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 2.23 2.48 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 2 K 8.45 4.04 0.00 1.81 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 3 E 8.45 4.14 0.00 1.96 1.85 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 2.30 2.38 0.00 4 G 8.55 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.25 3.02 1.86 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 1.30 0.76 0.90 0.00 0.00 6 H 8.29 4.44 0.00 3.21 3.14 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.09 0.00 2.24 2.12 0.00 3.98 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 8 K 7.92 3.34 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.49 7.81 9 L 8.30 3.85 0.00 1.96 1.92 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.45 4.72 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.19 0.00 1.80 1.40 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 12 A 8.31 4.26 1.18 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 0.00 0.00 0.00 13 R 7.95 4.36 0.00 1.74 1.88 0.00 3.39 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 14 I 7.47 5.20 1.88 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 1.41 1.28 0.94 0.00 0.00 15 I 8.14 5.08 2.01 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 1.47 1.09 0.96 0.00 0.00 16 C 8.35 5.12 0.00 3.17 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 0.00 0.00 0.00 17 G 8.39 4.04 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 0.00 0.00 0.00 18 C 7.47 4.94 0.00 3.03 2.54 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 19 G 8.44 3.80 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 0.00 0.00 0.00 20 N 8.10 5.26 0.00 2.71 2.64 0.00 0.00 7.05 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 21 V 8.12 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 0.84 0.00 0.00 0.93 0.00 0.00 22 I 9.03 3.35 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 1.31 0.35 0.81 0.00 0.00 23 E 10.69 2.93 0.00 2.06 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 0.00 2.35 2.59 0.00 24 T 6.28 3.35 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 1.35 0.00 0.00 25 Y 7.55 3.70 0.00 3.13 2.94 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 26 S 7.56 4.64 0.00 3.94 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 27 T 8.49 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 1.25 0.00 0.00 28 K 8.47 3.71 0.00 1.91 1.88 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 29 P 0.00 4.22 0.00 2.20 2.04 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 30 E 9.80 4.21 0.00 2.14 2.17 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 2.16 2.29 0.00 31 I 7.91 4.59 1.90 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 1.13 0.94 0.96 0.00 0.00 32 Y 8.40 5.64 0.00 2.81 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.78 3.50 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 0.78 0.00 0.00 0.91 0.00 0.00 34 E 8.78 3.90 0.00 2.09 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 2.24 2.19 0.00 35 V 7.06 4.38 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 0.93 0.00 0.00 0.89 0.00 0.00 36 C 9.01 4.47 0.00 3.11 3.28 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 0.00 0.00 0.00 0.00 37 S 9.81 4.18 0.00 3.26 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 38 K 9.38 4.25 0.00 2.14 2.03 0.00 2.16 0.00 0.00 2.05 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.65 7.81 39 C 7.79 4.25 0.00 3.09 2.97 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 40 H 7.52 4.35 0.00 3.36 3.61 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.34 0.00 2.22 2.04 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 42 F 9.20 3.61 0.00 3.30 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 43 Y 6.12 3.29 0.00 1.67 1.43 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 44 T 6.54 3.57 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 1.12 0.00 0.00 45 G 8.47 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.63 3.09 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 47 Q 7.57 3.80 0.00 1.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 5.57 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 48 R 7.42 4.16 0.00 2.02 2.21 0.00 3.56 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 49 F 6.73 3.91 0.00 3.17 3.13 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 50 V 8.47 4.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.80 0.00 0.00 51 D 6.85 4.24 0.00 2.89 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 52 T 8.08 4.37 4.24 0.00 0.00 0.00 0.00 0.00 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 53 E 7.92 5.73 0.00 2.12 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 2.09 2.04 0.00 54 G 7.78 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.00 4.82 0.00 1.77 1.97 0.00 3.28 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 56 V 7.75 4.44 2.13 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 1.02 0.00 0.00 0.98 0.00 0.00 57 E 7.77 4.35 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 58 R 7.89 4.53 0.00 2.03 2.11 0.00 3.23 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 59 F 8.26 4.89 0.00 2.95 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 60 Q 8.35 3.89 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 61 R 5.84 4.04 0.00 1.92 1.85 0.00 3.34 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 62 R 8.69 3.77 0.00 1.97 1.94 0.00 3.24 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 63 Y 8.08 4.75 0.00 3.55 3.46 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 0.00 0.00 0.00 0.00 64 G 7.08 3.19 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 65 D 7.75 4.55 0.00 2.79 2.97 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 66 S 6.83 5.07 0.00 3.29 3.39 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 67 Y 7.86 5.28 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 4.57 0.00 2.11 1.67 0.00 3.26 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 69 K 8.76 3.64 0.00 1.98 1.96 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.32 7.81 70 G 6.77 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.06 4.82 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.86 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00