NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0620 8.4449 120.3554 56.1684 30.9632 171.9817 3 Y 4.7508 7.8562 115.4391 55.7981 39.8455 172.4094 4 E 4.2165 9.4871 122.5516 56.7021 31.1329 176.1772 5 E 4.6478 8.6192 120.2197 55.2441 33.2763 175.4273 6 G 3.8814 8.7889 106.3557 43.6879 0.0000 171.2572 7 P 4.2412 0.0000 0.0000 64.1512 31.4815 177.5901 8 G 3.8839 8.8179 109.5329 45.7036 0.0000 173.8499 9 K 4.4206 8.1082 117.6504 56.0106 33.9557 176.3062 10 N 4.9747 7.8451 116.3745 51.9622 37.9575 174.5811 11 I 4.4601 7.0382 110.6112 59.6404 40.6128 173.4511 12 P 4.3921 0.0000 0.0000 63.1406 31.4960 175.5859 13 F 4.9714 6.5413 113.2472 55.0079 40.5093 174.5359 14 S 4.5144 8.5158 116.0088 57.7043 63.1331 174.1847 15 V 4.4938 7.9863 119.1087 61.1357 32.3071 176.6033 16 E 3.9669 8.1426 123.5213 58.2497 29.7992 177.0034 17 N 4.9026 7.8842 117.2104 50.9359 41.5489 174.5886 18 K 3.7255 8.4609 128.4873 59.8565 32.4869 178.9540 19 W 4.5293 7.7534 119.4532 59.4493 29.1943 178.4207 20 R 4.0024 8.7401 118.9687 59.2158 29.4159 178.2876 21 L 3.9491 8.1108 120.2968 58.1000 42.0996 178.7233 22 L 3.9630 7.9971 120.0792 57.9450 42.0300 178.8614 23 A 4.0079 8.0894 120.5465 55.4830 18.4155 179.2073 24 M 3.9622 8.1973 117.3296 59.1304 32.0493 179.0352 25 M 4.1325 8.3280 118.6895 58.6281 32.0397 178.9005 26 T 3.9809 8.0651 115.8349 66.7736 68.6997 176.5970 27 L 4.0142 7.9064 120.6495 57.9179 41.5043 179.2345 28 F 4.0447 8.2722 120.5977 61.3579 39.3967 177.2685 29 F 4.2054 8.6370 117.4933 60.3836 38.8209 178.0536 30 G 3.7880 8.6160 105.9808 47.9284 0.0000 175.9377 31 S 4.3425 8.3134 116.9478 60.8382 62.8106 176.7814 32 G 3.6137 7.4882 108.7707 47.8030 0.0000 175.2124 33 F 4.3969 8.3319 121.9556 60.7373 39.7139 176.8870 34 A 4.4516 8.5719 120.4693 54.7902 18.1780 179.3605 35 A 4.0849 7.8613 119.7161 55.2014 18.4671 178.1993 36 P 4.1431 0.0000 0.0000 65.4219 31.2981 178.9219 37 F 3.8741 7.7840 116.5584 60.4861 38.7247 177.7027 38 F 4.0754 8.2274 116.8394 60.1542 38.7333 177.8402 39 I 3.7573 7.8264 119.8736 64.2178 36.9329 178.2973 40 V 3.5128 7.8005 119.2231 66.0291 31.1924 177.8674 41 R 3.8160 7.9034 118.1810 59.8991 29.9017 177.8079 42 H 4.1441 8.4920 118.0075 59.5173 29.5345 177.2178 43 Q 3.9464 7.8489 119.0070 58.7473 28.8013 178.0294 44 L 4.1083 8.3242 120.4859 57.8563 41.4744 179.4064 45 L 4.2450 8.0366 117.3938 56.8432 41.7380 179.1293 46 K 4.0371 7.4571 117.7422 57.9820 32.0206 176.8202 47 K 3.9946 7.1286 122.9189 55.8313 34.3733 174.3120 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 2 H 8.44 4.06 0.00 3.01 3.22 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.86 4.75 0.00 3.14 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 4 E 9.49 4.22 0.00 1.97 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 0.00 2.36 2.30 0.00 5 E 8.62 4.65 0.00 1.92 1.81 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 2.22 2.31 0.00 6 G 8.79 3.88 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 0.00 0.00 0.00 7 P 0.00 4.24 0.00 2.02 2.00 0.00 3.73 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 2.02 2.09 0.00 8 G 8.82 3.88 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 0.00 0.00 0.00 9 K 8.11 4.42 0.00 1.82 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.54 7.81 10 N 7.85 4.97 0.00 2.76 2.84 0.00 0.00 5.81 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 11 I 7.04 4.46 0.83 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 0.68 0.00 0.00 12 P 0.00 4.39 0.00 2.21 2.15 0.00 3.66 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 2.11 1.96 0.00 13 F 6.54 4.97 0.00 3.17 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 14 S 8.52 4.51 0.00 3.85 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 15 V 7.99 4.49 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 0.87 0.00 0.00 0.87 0.00 0.00 16 E 8.14 3.97 0.00 1.93 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 2.32 2.30 0.00 17 N 7.88 4.90 0.00 2.78 2.67 0.00 0.00 6.95 6.59 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 18 K 8.46 3.73 0.00 1.53 1.73 0.00 0.84 0.00 0.00 1.12 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.68 0.21 7.81 19 W 7.75 4.53 0.00 3.66 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 4.00 0.00 1.95 1.98 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.11 3.95 0.00 1.84 1.71 0.99 0.38 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 22 L 8.00 3.96 0.00 1.98 2.02 0.99 1.43 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 23 A 8.09 4.01 1.48 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 0.00 0.00 24 M 8.20 3.96 0.00 1.93 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.89 0.00 25 M 8.33 4.13 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 26 T 8.07 3.98 4.62 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 1.27 0.00 0.00 27 L 7.91 4.01 0.00 1.91 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.27 4.04 0.00 3.05 2.95 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 0.00 29 F 8.64 4.21 0.00 3.39 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.79 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 0.00 0.00 0.00 31 S 8.31 4.34 0.00 4.03 4.15 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 0.00 0.00 0.00 0.00 32 G 7.49 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 4.40 0.00 3.14 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 34 A 8.57 4.45 1.62 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 0.00 0.00 35 A 7.86 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 1.62 1.85 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 37 F 7.78 3.87 0.00 3.14 2.81 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 38 F 8.23 4.08 0.00 3.22 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 39 I 7.83 3.76 1.96 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 1.41 0.76 0.91 0.00 0.00 40 V 7.80 3.51 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 0.95 0.00 0.00 0.80 0.00 0.00 41 R 7.90 3.82 0.00 1.89 2.09 0.00 3.04 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 42 H 8.49 4.14 0.00 3.32 3.57 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.85 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 44 L 8.32 4.11 0.00 1.75 1.70 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.04 4.24 0.00 1.61 1.73 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.46 4.04 0.00 1.80 1.81 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.21 7.81 47 K 7.13 3.99 0.00 1.84 1.87 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.12 7.81