NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1436 8.0093 120.7867 61.0368 39.1731 174.4866 2 T 4.5180 8.2132 114.8425 59.3008 71.4493 171.5576 3 A 4.7306 8.8921 125.8013 50.0335 23.3282 177.3834 4 K 4.2209 8.3828 118.9730 55.4951 32.8195 175.6506 5 P 4.3291 0.0000 0.0000 61.9697 31.8388 176.5062 6 A 3.9927 8.5509 123.4495 52.7191 18.5210 178.1036 7 K 4.1666 8.8555 123.3496 59.2550 32.4879 177.6588 8 T 4.5861 7.3269 107.3803 58.2294 68.4220 171.1034 9 P 4.2256 0.0000 0.0000 63.9918 32.2540 176.3739 10 T 4.9623 8.4096 117.5474 60.6686 69.8264 174.9321 11 S 4.4495 8.4137 122.1003 57.0429 65.4585 172.9627 12 P 4.2640 0.0000 0.0000 65.5604 30.9502 178.5799 13 K 3.8336 8.0409 117.7985 59.7607 32.2071 178.2283 14 E 3.9669 8.3595 118.6558 59.8066 29.3646 179.6395 15 Q 4.0064 8.6943 117.9495 58.6323 28.6079 178.6895 16 A 3.8920 8.1194 121.9202 55.6744 18.3993 179.0274 17 I 3.6664 7.9432 118.1427 64.3405 37.0184 178.3921 18 G 3.9355 8.4765 105.9700 48.1667 0.0000 174.6804 19 L 3.8563 8.0490 123.3872 58.0954 42.0091 179.3881 20 S 4.0791 8.1825 114.8914 61.4339 62.7290 176.8901 21 V 3.6290 8.1945 121.3698 66.2449 30.7873 178.1244 22 T 4.0481 8.2166 115.6955 66.9433 68.3547 176.5472 23 F 4.2948 8.9753 119.9523 60.7951 38.9501 177.8525 24 L 4.1498 8.4601 118.8777 57.6548 41.1401 179.6593 25 S 4.2042 8.2637 113.8438 61.4726 62.9321 176.2976 26 F 4.2855 8.1006 119.8682 60.0592 39.0195 177.4592 27 L 4.3322 8.3108 118.5516 57.0570 41.5383 179.4609 28 L 4.0710 8.0593 119.2025 57.2129 41.6574 177.5350 29 P 4.2797 0.0000 0.0000 65.5065 31.3404 178.2443 30 A 4.1935 8.2455 119.1892 55.4111 18.2719 179.4343 31 G 3.8332 8.3981 104.1958 47.9004 0.0000 175.4513 32 W 4.1579 8.5403 129.9217 60.1757 30.9178 177.7378 33 V 4.0155 8.2859 119.5846 65.6343 31.0495 178.0388 34 L 4.0322 8.4185 118.9570 57.9481 41.2550 178.8180 35 Y 4.0019 8.3627 118.9456 60.2278 38.8617 176.9520 36 H 4.5870 7.3428 116.5095 54.5369 29.0050 176.3922 37 L 3.8379 7.2522 124.1794 58.2046 41.0603 179.3737 38 D 4.2338 7.7758 117.9076 57.3847 40.5962 178.1217 39 N 3.9920 7.8342 116.6128 56.9179 38.1386 176.7276 40 Y 4.4653 7.4673 117.6739 61.7456 37.7028 177.8289 41 K 4.4540 7.9481 118.9261 57.3811 32.3643 177.3592 42 K 4.2487 7.6533 134.0480 55.8077 31.5188 177.3516 43 S 4.1654 8.1844 119.4194 58.4252 62.4244 173.6031 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 I 8.01 4.14 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 1.47 1.35 0.91 0.00 0.00 2 T 8.21 4.52 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 3 A 8.89 4.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.22 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.33 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 6 A 8.55 3.99 1.28 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 0.00 0.00 7 K 8.86 4.17 0.00 1.76 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 8 T 7.33 4.59 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 9 P 0.00 4.23 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 10 T 8.41 4.96 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 11 S 8.41 4.45 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.26 0.00 2.16 2.14 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 8.04 3.83 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 E 8.36 3.97 0.00 2.27 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 2.33 2.36 0.00 15 Q 8.69 4.01 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 16 A 8.12 3.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 3.67 1.98 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 1.44 0.84 0.91 0.00 0.00 18 G 8.48 3.94 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 0.00 0.00 0.00 19 L 8.05 3.86 0.00 1.77 1.70 0.53 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.18 4.08 0.00 3.87 3.87 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 0.00 0.00 0.00 21 V 8.19 3.63 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 1.07 0.00 0.00 0.98 0.00 0.00 22 T 8.22 4.05 4.61 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 1.46 0.00 0.00 23 F 8.98 4.29 0.00 2.88 3.15 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 24 L 8.46 4.15 0.00 1.77 1.78 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.20 0.00 4.01 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 26 F 8.10 4.29 0.00 3.06 3.11 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 27 L 8.31 4.33 0.00 1.79 1.78 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.06 4.07 0.00 1.75 1.75 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.20 2.11 0.00 3.86 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 2.19 2.14 0.00 30 A 8.25 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.83 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 0.00 0.00 0.00 32 W 8.54 4.16 0.00 3.31 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.02 2.41 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 1.40 0.00 0.00 1.31 0.00 0.00 34 L 8.42 4.03 0.00 1.95 1.73 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.36 4.00 0.00 2.91 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 36 H 7.34 4.59 0.00 2.41 2.14 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.25 3.84 0.00 1.68 1.65 0.92 1.16 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 38 D 7.78 4.23 0.00 2.59 2.59 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 0.00 39 N 7.83 3.99 0.00 2.59 2.77 0.00 0.00 7.11 7.48 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 40 Y 7.47 4.47 0.00 3.00 2.87 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 0.00 0.00 0.00 41 K 7.95 4.45 0.00 1.87 1.74 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 K 7.65 4.25 0.00 1.80 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.41 7.81 43 S 8.18 4.17 0.00 4.13 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