NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5171 8.1627 118.3265 55.5104 33.7049 173.1834 2 Q 4.7876 8.0330 118.1143 52.8681 32.7350 171.6945 3 I 4.3985 9.4019 119.4423 59.0688 42.4640 173.0749 4 F 5.4904 8.6034 120.7091 55.7064 41.7833 175.0156 5 V 4.7936 9.2373 123.3368 60.9218 34.1625 174.0086 6 K 5.0849 9.0530 129.4984 54.6180 34.6997 176.0644 7 T 4.7093 8.4718 118.1723 61.0624 69.7620 174.7222 8 L 4.1925 8.4092 121.7176 57.8167 41.9593 178.6879 9 T 3.9530 8.1727 108.0097 64.9347 68.4568 173.3413 10 G 3.4129 7.7310 114.1908 44.9847 0.0000 173.9870 11 K 3.6903 7.4445 121.5263 57.2934 32.3993 175.1738 12 T 5.1226 8.2925 122.0257 62.2218 71.1862 174.0719 13 I 4.7128 8.5418 123.7192 60.1485 41.5822 174.3059 14 T 5.0616 8.6944 123.1030 62.2267 70.1529 174.0576 15 L 4.7899 8.9010 125.6568 52.8380 45.3682 174.9589 16 E 4.7884 8.7093 123.8397 55.0651 30.5604 175.2411 17 V 4.7235 8.9123 119.5426 59.9005 36.3928 174.4270 18 E 4.7877 9.0536 120.7811 54.0035 32.3816 176.1138 19 P 4.3163 0.0000 0.0000 64.7487 31.6457 178.5185 20 S 4.3278 7.8563 111.8005 59.8367 63.8991 174.4839 21 D 4.3886 7.9946 122.9783 54.5450 41.1571 176.4112 22 T 4.7292 8.2262 114.1257 61.1079 71.4989 175.9229 23 I 3.7976 8.3784 121.9673 64.1469 36.9108 178.8759 24 E 3.9552 8.1100 119.4135 59.4850 29.4083 178.4357 25 N 4.2439 7.9031 116.1768 56.6566 38.7085 177.5902 26 V 3.6025 7.6519 118.7576 65.8912 31.7017 178.2858 27 K 4.2960 8.4246 119.3269 58.7732 31.9191 179.2199 28 A 3.9977 8.1834 121.2408 55.1446 18.4543 179.8842 29 K 3.9891 7.8515 116.5377 59.4313 32.0267 179.6355 30 I 3.8578 7.6268 120.0981 64.0570 37.0757 177.9683 31 Q 4.3460 8.1488 121.8102 58.6514 28.5262 178.2142 32 D 4.3265 7.7868 118.9695 57.3890 41.1269 178.6666 33 K 4.2778 7.8130 116.8617 58.4751 32.4108 178.1875 34 E 4.5420 8.2272 115.9230 55.7394 32.7432 175.7242 35 G 4.0198 8.2738 106.3292 46.2526 0.0000 173.5933 36 I 4.2227 7.0960 118.8457 59.0073 38.3694 173.7816 37 P 4.4251 0.0000 0.0000 61.7400 31.4696 175.7590 38 P 4.3091 0.0000 0.0000 64.6527 31.4567 177.6554 39 D 4.2364 7.9404 116.6451 54.9472 40.1023 177.2467 40 Q 4.2560 8.6265 119.1202 57.1466 29.4995 175.3192 41 Q 4.7006 7.4153 118.1367 55.4173 30.3223 175.3298 42 R 4.6552 9.1245 122.6931 54.4627 33.4762 174.4557 43 L 5.0394 8.4809 124.1797 53.6184 44.0517 175.8323 44 I 5.0439 8.6833 122.7708 59.5259 41.3631 174.0345 45 F 5.0131 9.4449 128.7029 56.6280 42.0399 174.8798 46 A 3.3744 9.0349 130.4355 53.0817 15.6501 177.3215 47 G 3.9171 7.8820 107.5528 45.2605 0.0000 172.8111 48 K 4.4923 7.8557 121.7821 54.5191 33.8446 174.5723 49 Q 4.6790 8.4147 126.8712 55.4435 29.9930 175.0172 50 L 3.8814 8.5621 127.5599 54.4557 41.9399 176.1745 51 E 4.4493 9.5694 126.1086 55.0214 31.1146 175.6111 52 D 4.4213 8.7014 126.5675 56.1312 41.4086 176.9325 53 G 3.9782 8.7341 110.9738 45.1391 0.0000 173.4727 54 R 4.5677 7.5881 117.6428 54.6967 32.4469 175.1690 55 T 4.9489 8.0918 109.8061 59.8233 71.3046 175.5136 56 L 4.1568 8.4508 121.7256 58.0464 41.4810 180.0696 57 S 4.1010 7.9813 113.7496 61.6147 62.5844 176.1326 58 D 4.5727 7.7092 121.3479 56.3813 40.5713 177.2326 59 Y 4.5303 7.7308 114.6516 56.2717 39.3279 174.6475 60 N 4.1323 8.4829 117.7022 54.4988 37.8605 174.0984 61 I 3.7744 7.6686 117.5456 60.2123 38.0898 175.6545 62 Q 4.6570 8.1458 123.9343 52.8683 31.7436 174.9010 63 K 4.0576 8.2942 117.6158 59.0012 32.4552 176.9251 64 E 3.3275 9.0954 120.1720 56.5447 27.8653 174.8085 65 S 4.5913 7.7634 115.7691 58.9734 64.4600 173.1965 66 T 5.1830 8.6683 117.5505 62.0883 70.8225 173.6579 67 L 5.1012 8.9963 126.5416 53.5036 44.8917 175.1671 68 H 5.3233 9.1407 118.9233 54.1212 31.6578 173.3502 69 L 4.9930 8.6302 124.8621 53.6763 43.0943 175.7775 70 V 4.5607 8.8411 126.5281 61.2113 34.6088 174.1626 71 L 5.9732 8.2642 122.8231 52.0750 45.1721 175.8977 72 R 4.3760 8.3032 121.5132 55.6586 32.5572 175.9927 73 L 4.0222 7.8904 122.2259 54.9332 41.4341 175.3484 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 8.16 4.52 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 2 Q 8.03 4.79 0.00 2.31 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.00 2.32 0.00 3 I 9.40 4.40 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.04 0.78 0.00 0.00 4 F 8.60 5.49 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.24 4.79 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 9.05 5.08 0.00 1.68 1.44 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.31 7.81 7 T 8.47 4.71 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 1.28 0.00 0.00 8 L 8.41 4.19 0.00 1.67 1.77 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.17 3.95 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 1.22 0.00 0.00 10 G 7.73 3.41 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 11 K 7.44 3.69 0.00 1.83 1.76 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 12 T 8.29 5.12 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 1.25 0.00 0.00 13 I 8.54 4.71 1.99 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 1.38 0.83 0.93 0.00 0.00 14 T 8.69 5.06 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 1.29 0.00 0.00 15 L 8.90 4.79 0.00 1.53 1.47 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.79 0.00 1.93 1.83 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 2.20 2.43 0.00 17 V 8.91 4.72 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.05 4.79 0.00 1.83 1.79 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 2.20 2.38 0.00 19 P 0.00 4.32 0.00 2.15 2.06 0.00 3.56 0.00 0.00 3.79 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 20 S 7.86 4.33 0.00 3.96 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 21 D 7.99 4.39 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.73 4.44 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 1.22 0.00 0.00 23 I 8.38 3.80 1.90 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 1.85 1.36 0.89 0.00 0.00 24 E 8.11 3.96 0.00 2.06 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 2.40 2.46 0.00 25 N 7.90 4.24 0.00 3.01 2.88 0.00 0.00 6.73 8.82 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 26 V 7.65 3.60 2.19 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.42 4.30 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.48 7.81 28 A 8.18 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 29 K 7.85 3.99 0.00 1.93 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.80 7.81 30 I 7.63 3.86 2.14 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 0.85 0.91 0.00 0.00 31 Q 8.15 4.35 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 7.79 4.33 0.00 2.91 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 33 K 7.81 4.28 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.71 7.81 34 E 8.23 4.54 0.00 2.08 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 2.23 2.40 0.00 35 G 8.27 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 36 I 7.10 4.22 1.87 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 1.30 0.90 0.96 0.00 0.00 37 P 0.00 4.43 0.00 2.40 1.98 0.00 3.85 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 2.11 2.10 0.00 38 P 0.00 4.31 0.00 2.17 2.10 0.00 3.59 0.00 0.00 4.02 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 39 D 7.94 4.24 0.00 2.78 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 40 Q 8.63 4.26 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 41 Q 7.42 4.70 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 42 R 9.12 4.66 0.00 1.66 1.80 0.00 3.42 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.48 5.04 0.00 1.55 1.53 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.68 5.04 1.91 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 1.12 0.87 0.93 0.00 0.00 45 F 9.44 5.01 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.03 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.88 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 0.00 0.00 0.00 48 K 7.86 4.49 0.00 1.81 1.81 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 49 Q 8.41 4.68 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 50 L 8.56 3.88 0.00 1.41 1.29 0.64 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.57 4.45 0.00 2.12 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 2.34 2.34 0.00 52 D 8.70 4.42 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.73 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 0.00 0.00 0.00 54 R 7.59 4.57 0.00 2.10 1.95 0.00 2.97 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 55 T 8.09 4.95 4.47 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 1.25 0.00 0.00 56 L 8.45 4.16 0.00 1.70 1.67 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.10 0.00 4.07 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 58 D 7.71 4.57 0.00 2.63 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 59 Y 7.73 4.53 0.00 3.02 2.93 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 0.00 0.00 0.00 0.00 60 N 8.48 4.13 0.00 2.84 2.99 0.00 0.00 7.13 7.81 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 61 I 7.67 3.77 1.60 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.49 0.00 0.00 62 Q 8.15 4.66 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 63 K 8.29 4.06 0.00 1.79 1.79 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.47 7.81 64 E 9.10 3.33 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 2.23 2.24 0.00 65 S 7.76 4.59 0.00 3.78 3.90 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 0.00 0.00 0.00 0.00 66 T 8.67 5.18 4.36 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 1.23 0.00 0.00 67 L 9.00 5.10 0.00 1.60 1.59 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.14 5.32 0.00 3.13 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.63 4.99 0.00 1.62 1.58 0.97 1.02 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 70 V 8.84 4.56 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.26 5.97 0.00 1.50 1.51 0.93 0.96 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 72 R 8.30 4.38 0.00 1.81 1.80 0.00 3.24 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 73 L 7.89 4.02 0.00 1.73 1.92 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00