NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8120 8.3549 109.7358 46.7416 0.0000 173.3041 2 S 3.5346 8.1858 124.6384 58.2761 60.6985 170.8940 3 S 4.5252 7.7783 112.8290 57.3365 66.1100 170.4099 4 G 3.5047 8.2583 119.3967 45.6054 0.0000 174.5244 5 S 4.4030 7.4861 127.6505 57.2244 62.0939 174.0351 6 S 4.5725 8.3636 120.8693 58.3111 68.2670 172.1757 7 G 4.0251 9.5588 114.4889 44.5840 0.0000 175.6830 8 M 4.6539 8.7161 116.1601 52.2012 35.0291 173.9389 9 P 4.3434 0.0000 0.0000 62.3589 30.6974 176.0789 10 S 4.1521 8.4777 119.5248 58.1894 63.4170 173.6632 11 R 4.4515 8.3937 125.6650 54.4157 31.2335 175.8804 12 K 3.7764 8.3195 126.4805 58.7716 32.4609 175.9658 13 F 4.9239 7.5661 113.9900 55.5232 42.7099 173.7693 14 A 4.7222 8.3219 125.5386 50.1399 21.1291 175.8549 15 D 4.6531 8.4325 119.6425 54.5076 39.9958 175.6458 16 G 4.3357 9.1662 112.7818 44.4517 0.0000 173.3990 17 E 3.8822 7.4037 119.4541 57.0166 30.7945 176.6979 18 V 4.3982 8.3856 126.0270 62.0102 32.1977 174.7857 19 V 4.5029 8.2919 121.1273 59.4239 36.0609 174.7422 20 R 4.9509 9.0575 120.9844 55.1853 31.4971 176.2338 21 G 4.4069 9.1662 112.1778 44.3724 0.0000 172.4805 22 R 5.0995 8.1480 123.4927 53.6329 30.0854 175.7942 23 W 4.5055 9.3821 135.0000 56.0999 32.1295 173.2996 24 P 4.3611 0.0000 0.0000 65.3935 30.8608 174.4527 25 G 4.3034 9.1714 112.6753 46.0907 0.0000 174.1437 26 S 4.2673 8.3745 112.7463 58.6240 62.7310 173.7006 27 S 3.7516 7.7861 113.3353 59.0245 62.2836 171.7744 28 L 4.6057 7.5602 118.0764 53.9787 45.5114 175.3888 29 Y 4.6847 8.2984 121.0197 57.9470 38.6390 174.4442 30 Y 4.9282 9.2828 121.5454 55.6434 42.6384 174.7272 31 E 4.4609 9.0729 121.9445 56.6341 29.9384 176.0355 32 V 4.5749 8.9446 120.4936 59.4186 36.2716 174.3701 33 E 5.0150 8.5606 122.6581 54.5275 32.5917 174.8022 34 I 4.2908 8.2968 126.3950 61.3815 37.8989 175.6548 35 L 4.4001 8.9545 126.8801 56.1056 43.2742 176.4195 36 S 4.6394 7.6799 110.7094 57.4461 66.7097 171.7595 37 H 4.4619 8.3144 121.0138 54.4755 32.2874 171.9459 38 D 4.4520 8.8164 127.4982 53.3852 41.6692 177.9785 39 S 4.0592 8.5909 118.7337 61.0964 63.0924 175.8171 40 T 3.8756 7.9352 116.2384 66.6102 68.0702 175.2931 41 S 4.6988 7.7521 113.2998 57.7668 64.0076 173.7831 42 Q 3.5219 7.7269 117.3474 56.8011 27.0572 173.1948 43 L 4.9495 7.6932 117.0917 53.7592 43.4835 175.6432 44 Y 4.7440 9.2639 122.9015 57.1898 40.0546 175.1253 45 T 5.4243 8.7833 121.4394 62.1003 69.7792 174.3421 46 V 4.8526 8.2529 119.5565 59.4102 35.5603 174.6419 47 K 5.0908 8.6196 123.3216 55.1112 34.8570 175.1608 48 Y 4.8752 9.0169 124.9132 56.1215 40.0367 176.8863 49 K 4.0662 8.9347 119.7520 60.1573 32.5988 176.7661 50 D 4.5730 8.2039 117.6034 54.7805 41.8401 176.0875 51 G 4.1133 7.6724 101.8592 46.6309 0.0000 173.9617 52 T 4.8071 7.5430 113.4869 61.8930 73.0275 174.3615 53 E 5.6076 8.8755 125.0040 54.1121 31.8632 175.1280 54 L 4.7305 8.3666 122.1099 53.4278 47.2682 174.7351 55 E 4.8363 8.6727 119.1143 55.0572 31.2187 175.6425 56 L 4.8179 8.7677 125.6120 52.2906 44.7269 177.2497 57 K 4.9500 8.6620 121.7950 55.7127 32.7846 177.4008 58 E 3.7925 9.0278 121.6994 59.4457 29.7395 178.0385 59 N 4.5599 8.2471 116.1628 56.4349 39.6994 175.5585 60 D 4.6045 8.1910 117.6213 57.1189 41.1716 176.1744 61 I 4.4398 7.3595 119.0280 60.4171 38.1317 175.9419 62 K 4.9572 9.2744 125.2758 54.7434 36.6819 175.3231 63 S 4.9551 8.8427 116.1867 56.8447 66.2997 173.4354 64 G 4.3434 8.1378 109.0669 43.5389 0.0000 170.3954 65 P 4.3932 0.0000 0.0000 62.3685 32.0646 176.3068 66 S 4.4066 8.4471 116.7420 58.0878 63.9068 173.6412 67 S 4.6196 9.1535 116.5838 55.7454 65.8281 174.1092 68 G 3.4603 8.8965 111.0152 45.6441 0.0000 172.4402 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 G 8.35 3.81 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 0.00 2 S 8.19 3.53 0.00 4.07 3.91 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 3 S 7.78 4.53 0.00 3.77 3.66 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 0.00 0.00 0.00 0.00 4 G 8.26 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.49 4.40 0.00 3.87 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 6 S 8.36 4.57 0.00 3.80 3.71 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 7 G 9.56 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 0.00 0.00 0.00 8 M 8.72 4.65 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 9 P 0.00 4.34 0.00 2.19 2.12 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 10 S 8.48 4.15 0.00 3.97 3.92 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 11 R 8.39 4.45 0.00 1.84 2.00 0.00 3.34 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.73 0.00 12 K 8.32 3.78 0.00 1.53 0.74 0.00 1.66 0.00 0.00 1.20 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.05 7.81 13 F 7.57 4.92 0.00 3.04 2.83 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 14 A 8.32 4.72 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 D 8.43 4.65 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.17 4.34 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 0.00 17 E 7.40 3.88 0.00 2.29 1.92 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 2.39 2.39 0.00 18 V 8.39 4.40 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 0.89 0.00 0.00 0.93 0.00 0.00 19 V 8.29 4.50 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 0.78 0.00 0.00 0.51 0.00 0.00 20 R 9.06 4.95 0.00 1.70 1.92 0.00 3.28 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 21 G 9.17 4.41 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 0.00 22 R 8.15 5.10 0.00 1.40 1.79 0.00 2.71 0.00 0.00 2.86 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.00 23 W 9.38 4.51 0.00 3.66 3.05 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 0.00 0.00 0.00 24 P 0.00 4.36 0.00 2.07 1.90 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 25 G 9.17 4.30 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 0.00 26 S 8.37 4.27 0.00 3.87 4.14 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 27 S 7.79 3.75 0.00 4.04 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 28 L 7.56 4.61 0.00 1.51 0.96 0.96 0.79 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 29 Y 8.30 4.68 0.00 2.79 2.83 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 30 Y 9.28 4.93 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.07 4.46 0.00 2.05 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 2.32 2.36 0.00 32 V 8.94 4.57 1.70 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 -0.31 0.00 0.00 0.80 0.00 0.00 33 E 8.56 5.01 0.00 2.01 1.73 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 2.19 2.40 0.00 34 I 8.30 4.29 2.11 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 1.10 0.00 0.00 35 L 8.95 4.40 0.00 1.63 1.69 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.68 4.64 0.00 3.84 3.63 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 37 H 8.31 4.46 0.00 2.34 2.92 0.00 5.97 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.82 4.45 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.06 0.00 3.71 3.77 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 40 T 7.94 3.88 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 1.20 0.00 0.00 41 S 7.75 4.70 0.00 3.81 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 42 Q 7.73 3.52 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 43 L 7.69 4.95 0.00 1.64 1.61 1.01 0.73 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 44 Y 9.26 4.74 0.00 3.05 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 45 T 8.78 5.42 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 46 V 8.25 4.85 1.94 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 0.83 0.00 0.00 0.74 0.00 0.00 47 K 8.62 5.09 0.00 1.80 1.60 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.44 7.81 48 Y 9.02 4.88 0.00 3.12 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 49 K 8.93 4.07 0.00 1.88 2.01 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.57 7.81 50 D 8.20 4.57 0.00 2.59 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.54 4.81 4.59 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 0.00 0.00 0.00 1.38 0.00 0.00 53 E 8.88 5.61 0.00 1.85 1.87 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 2.25 2.19 0.00 54 L 8.37 4.73 0.00 1.52 1.31 -0.64 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.67 4.84 0.00 1.79 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 2.20 2.28 0.00 56 L 8.77 4.82 0.00 1.56 1.56 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.66 4.95 0.00 2.08 1.81 0.00 2.23 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.38 7.81 58 E 9.03 3.79 0.00 2.16 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 0.00 2.28 2.22 0.00 59 N 8.25 4.56 0.00 2.77 2.87 0.00 0.00 7.02 8.51 0.00 0.00 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 D 8.19 4.60 0.00 3.10 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 61 I 7.36 4.44 1.35 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 -0.30 0.00 0.00 62 K 9.27 4.96 0.00 1.28 1.46 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.25 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.33 1.26 7.81 63 S 8.84 4.96 0.00 3.88 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 64 G 8.14 4.34 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 0.00 65 P 0.00 4.39 0.00 2.18 2.06 0.00 3.75 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 1.98 1.94 0.00 66 S 8.45 4.41 0.00 4.00 3.91 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 67 S 9.15 4.62 0.00 3.93 3.81 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 68 G 8.90 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 0.00 0.00 0.00