NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3801 8.2931 120.3234 55.7834 33.4253 173.9584 2 G 3.8000 7.8966 102.9811 43.1893 0.0000 171.1237 3 P 4.3678 0.0000 0.0000 65.1718 32.8277 173.9622 4 L 4.6520 7.5320 118.7952 52.9297 44.9732 175.3444 5 Q 3.8730 8.9763 116.2090 57.8160 28.0924 175.9804 6 Y 3.2754 7.4009 113.8316 57.9045 37.0011 170.2074 7 K 4.4501 7.5631 121.2549 55.8121 36.4124 174.8159 8 D 4.5570 8.8346 120.1457 55.0060 41.3077 176.4020 9 L 4.2634 8.0884 120.7758 56.1247 41.1838 176.9441 10 K 4.7454 8.1611 120.3210 55.9124 33.1719 176.2132 11 I 4.5404 7.6979 114.5801 59.9044 37.3905 175.0916 12 D 4.4951 7.5248 124.4193 53.4330 42.6596 175.9940 13 I 4.1925 7.3188 130.8530 60.8312 37.6088 174.7526 14 K 3.9764 7.0835 134.4357 55.3682 35.9828 174.6942 15 T 4.7770 7.7286 116.3859 60.1272 71.4253 175.9591 16 S 4.7056 8.3986 126.0733 57.6707 62.2565 174.2700 17 P 5.2007 0.0000 0.0000 62.4095 31.3035 174.3226 18 P 4.4016 0.0000 0.0000 66.4551 31.5893 175.4420 19 P 4.6220 0.0000 0.0000 61.3607 29.7777 176.3147 20 E 4.9913 8.3570 130.0136 56.8067 29.0293 179.2510 21 C 4.3034 8.1114 115.2843 61.7251 31.0858 176.5009 22 I 3.7645 7.9089 121.3141 63.9244 36.8378 177.6686 23 N 4.2750 7.9393 117.1776 56.2838 37.0730 176.4100 24 D 4.3328 7.6935 119.0259 56.4679 41.3732 177.3892 25 L 4.2026 7.3804 119.7510 57.5158 42.3151 177.8253 26 L 4.1623 9.9928 119.0999 56.7482 42.0121 178.2928 27 Q 4.2810 8.7695 117.3196 57.8811 28.7130 176.6250 28 A 4.7121 7.9540 120.5184 51.4540 20.8751 177.0721 29 V 4.0265 7.0677 113.5266 60.3404 31.6626 175.5473 30 D 4.1369 8.0005 116.7434 55.9251 37.7288 173.4377 31 S 4.6448 7.7737 115.9933 55.7089 63.7834 175.4763 32 Q 3.5863 7.9935 124.5458 59.2513 28.9318 177.5614 33 E 4.0290 8.1433 118.7971 59.0704 29.3675 179.0296 34 V 3.5593 8.7864 119.6450 65.5733 31.5565 178.3349 35 R 3.7839 7.6760 117.3129 59.1332 29.7003 178.1235 36 D 3.9867 9.6630 117.7143 57.2829 40.6040 177.9577 37 Y 3.8951 7.7188 119.9955 60.5307 38.9437 176.5913 38 C 3.2547 8.6850 121.0862 62.1942 31.4729 175.3443 39 E 4.3325 8.5445 115.5067 57.6774 29.5410 177.5139 40 K 4.0868 7.1522 120.0000 58.6438 32.6733 178.1350 41 K 3.8968 8.6006 118.7621 60.3245 32.7117 176.1306 42 G 3.1695 7.7227 107.7978 45.6324 0.0000 173.6166 43 W 4.4994 8.1452 119.3934 58.1028 31.9445 177.8344 44 I 3.2810 7.9214 114.6444 61.7759 33.5129 173.2290 45 V 3.5176 6.7865 114.3410 62.1455 29.9926 174.0557 46 N 4.2334 8.4784 131.1218 53.5520 41.5411 173.9573 47 I 4.3458 7.2978 113.9912 60.8540 40.8602 172.7734 48 T 4.6212 8.2069 115.2921 62.1205 66.9425 173.2497 49 S 4.3920 7.4554 111.7942 59.4117 65.6259 173.8332 50 Q 4.1626 7.7700 131.8136 55.4720 27.6547 175.6058 51 V 4.3661 7.7469 122.7220 59.2775 34.0535 175.9227 52 Q 4.3193 8.3291 121.6041 54.5715 30.4772 174.6439 53 T 4.4300 8.2778 115.5150 60.6216 70.3983 174.4143 54 E 4.3570 8.5759 122.4432 56.7101 30.5973 176.6849 55 R 4.4269 7.4734 117.8260 53.8734 29.2729 174.6531 56 N 4.5035 8.0978 119.9833 53.8285 39.8871 174.1778 57 I 4.4933 7.9675 118.2169 61.0254 39.6347 177.3391 58 N 4.1971 8.3466 117.9754 56.0642 38.8545 174.8976 59 R 4.2613 7.6915 113.9809 56.6120 32.5027 175.3911 60 A 4.0801 8.0675 123.1542 52.6665 18.7082 176.5899 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 8.29 4.38 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 G 7.90 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 3 P 0.00 4.37 0.00 2.24 2.25 0.00 3.94 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 2.18 2.13 0.00 4 L 7.53 4.65 0.00 1.69 1.54 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.98 3.87 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.12 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 6 Y 7.40 3.28 0.00 3.26 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 7 K 7.56 4.45 0.00 1.78 1.73 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.63 7.81 8 D 8.83 4.56 0.00 2.65 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 9 L 8.09 4.26 0.00 1.73 1.65 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.16 4.75 0.00 1.65 1.73 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.48 7.81 11 I 7.70 4.54 1.85 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 1.39 0.83 0.89 0.00 0.00 12 D 7.52 4.50 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.32 4.19 1.84 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 1.37 0.52 0.86 0.00 0.00 14 K 7.08 3.98 0.00 1.68 1.61 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.14 7.81 15 T 7.73 4.78 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 1.21 0.00 0.00 16 S 8.40 4.71 0.00 3.94 3.08 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 0.00 0.00 0.00 0.00 17 P 0.00 5.20 0.00 2.28 2.42 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 18 P 0.00 4.40 0.00 2.21 2.25 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 19 P 0.00 4.62 0.00 2.25 2.13 0.00 3.79 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 1.86 0.00 20 E 8.36 4.99 0.00 2.31 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 2.53 2.32 0.00 21 C 8.11 4.30 0.00 3.31 3.34 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 22 I 7.91 3.76 1.52 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 -0.25 -0.13 0.67 0.00 0.00 23 N 7.94 4.28 0.00 2.90 3.06 0.00 0.00 5.74 8.10 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 24 D 7.69 4.33 0.00 2.78 2.84 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 25 L 7.38 4.20 0.00 1.89 1.74 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.99 4.16 0.00 1.73 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.77 4.28 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 28 A 7.95 4.71 1.29 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 0.00 0.00 0.00 29 V 7.07 4.03 2.06 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 0.77 0.00 0.00 0.90 0.00 0.00 30 D 8.00 4.14 0.00 2.75 2.69 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 31 S 7.77 4.64 0.00 3.90 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 32 Q 7.99 3.59 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 33 E 8.14 4.03 0.00 2.02 1.98 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 2.39 2.35 0.00 34 V 8.79 3.56 2.21 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 0.99 0.00 0.00 0.75 0.00 0.00 35 R 7.68 3.78 0.00 1.85 1.90 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 36 D 9.66 3.99 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 3.90 0.00 3.09 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 38 C 8.69 3.25 0.00 2.72 2.73 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 0.00 0.00 0.00 39 E 8.54 4.33 0.00 2.02 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 2.30 2.38 0.00 40 K 7.15 4.09 0.00 1.89 1.69 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.35 7.81 41 K 8.60 3.90 0.00 2.41 2.18 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.44 0.93 7.81 42 G 7.72 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 0.00 0.00 0.00 43 W 8.15 4.50 0.00 3.21 3.24 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 0.00 44 I 7.92 3.28 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.43 0.92 0.00 0.00 45 V 6.79 3.52 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 0.87 0.00 0.00 0.77 0.00 0.00 46 N 8.48 4.23 0.00 2.61 2.95 0.00 0.00 6.97 7.94 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 47 I 7.30 4.35 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 1.40 0.68 0.91 0.00 0.00 48 T 8.21 4.62 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 49 S 7.46 4.39 0.00 3.83 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 50 Q 7.77 4.16 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 51 V 7.75 4.37 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 0.76 0.00 0.00 0.90 0.00 0.00 52 Q 8.33 4.32 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 53 T 8.28 4.43 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 1.19 0.00 0.00 54 E 8.58 4.36 0.00 1.93 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 2.21 2.31 0.00 55 R 7.47 4.43 0.00 1.80 1.84 0.00 3.44 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 56 N 8.10 4.50 0.00 2.66 2.75 0.00 0.00 7.08 7.95 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 57 I 7.97 4.49 1.87 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 0.64 0.91 0.00 0.00 58 N 8.35 4.20 0.00 2.68 2.90 0.00 0.00 6.79 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 59 R 7.69 4.26 0.00 1.76 1.90 0.00 3.37 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 60 A 8.07 4.08 1.29 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 0.00 0.00 0.00