NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4552 8.1627 120.6291 55.6466 34.2442 173.2447 2 Q 4.9239 8.3820 123.0585 54.2117 31.0382 172.8781 3 Y 4.6928 9.1615 122.7401 56.0306 42.6613 174.1632 4 K 4.4681 8.7395 124.1975 55.1422 33.2220 175.3495 5 V 4.2689 9.0132 129.1604 61.6999 33.3369 174.5045 6 I 4.7360 8.3842 128.3806 59.8931 39.0029 176.1840 7 L 4.3965 8.3919 129.1595 53.4113 40.8950 173.2468 8 N 4.7289 8.3512 119.2630 52.3744 39.7376 173.3051 9 G 4.3815 8.7757 118.3154 43.8504 0.0000 171.3386 10 K 4.1294 8.6483 117.8306 59.0777 32.4190 178.3021 11 T 4.3406 7.6762 105.4712 61.5848 69.8537 174.1971 12 L 4.7992 7.4634 124.1340 53.3383 45.1882 174.6688 13 K 5.0254 8.1377 123.3053 55.2550 36.4693 175.7746 14 G 4.0882 8.1287 107.9386 46.5561 0.0000 171.5341 15 E 5.1521 8.7893 117.8830 55.1205 33.5784 174.9534 16 T 4.8513 9.7750 118.4992 60.8209 72.0851 172.4789 17 T 5.4266 8.0903 113.2510 59.8433 71.3505 172.9712 18 T 4.4998 8.6081 120.8473 60.0082 70.4738 172.1669 19 E 5.2262 8.6350 127.7792 54.5810 31.0502 174.7185 20 A 4.7063 8.9367 127.7767 50.2584 22.0466 176.2211 21 V 3.6440 8.6247 120.2114 65.8676 31.7935 175.2210 22 D 5.2580 9.0354 117.3447 51.4888 42.5561 175.9317 23 A 3.0687 8.7814 120.2058 54.9066 18.0737 179.5243 24 A 3.9601 7.9111 118.8638 55.4703 18.5157 179.4301 25 T 3.7463 9.3817 108.9786 65.0782 68.4988 175.9758 26 A 3.9666 7.9352 123.9466 54.6469 18.2659 178.9135 27 E 3.7933 8.5290 118.4382 59.5182 29.5689 179.3682 28 K 3.9231 8.7343 119.1621 59.5244 31.9579 179.3363 29 V 3.5377 8.2675 118.2472 66.0775 31.6374 177.9102 30 V 3.5107 8.3390 118.0099 65.9116 31.2972 177.8597 31 K 4.0216 8.1837 118.4748 59.8884 31.8473 178.9151 32 Q 3.7940 8.3013 119.5535 59.0998 28.8956 177.7076 33 F 4.6569 7.9729 122.9317 61.0570 39.1097 177.2485 34 F 4.4209 7.5633 116.4729 60.5228 38.6954 176.8884 35 N 4.1990 8.9947 117.0360 56.8169 38.7180 175.8257 36 D 4.6513 8.2280 118.4761 55.7242 41.4944 178.3790 37 N 4.5389 9.0113 117.9982 55.5470 38.8517 177.6538 38 G 3.9838 8.9364 99.2917 44.5801 0.0000 176.4170 39 V 4.0850 8.7202 123.5095 62.6109 31.8473 174.8131 40 D 4.8477 7.5552 118.8388 54.5425 41.8300 176.0526 41 G 3.9629 8.1376 108.5257 45.3862 0.0000 173.9052 42 E 4.5632 8.6576 119.1630 54.9948 30.1713 175.0342 43 W 5.2460 8.9703 125.1595 55.3435 30.7010 175.8951 44 T 4.7671 8.6058 115.6589 60.1944 70.8122 172.8586 45 Y 4.8663 8.5848 125.1038 56.0055 41.8397 173.6783 46 D 4.6076 8.2112 125.7060 51.4199 41.1704 175.3492 47 D 3.6927 7.4847 122.9853 56.6124 41.3667 178.9828 48 A 3.9393 7.8261 120.6453 54.8825 18.2421 177.9414 49 T 4.5385 7.7803 102.7807 60.2404 69.4406 173.7641 50 K 4.1607 7.7085 118.3956 57.0534 30.5851 174.6911 51 T 5.0344 7.6099 112.5284 61.9030 72.1822 173.2053 52 F 5.4962 9.3907 123.3364 56.0501 41.7332 175.5447 53 T 4.4319 9.3665 113.3056 59.8414 70.6040 173.3539 54 V 3.7967 8.2297 127.9319 62.6514 31.9111 175.1852 55 T 4.4778 7.8562 125.1501 61.3272 70.0560 174.9086 56 E 3.9682 8.8574 126.4521 56.6145 29.6281 176.3741 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 4.46 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 2 Q 8.38 4.92 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 3 Y 9.16 4.69 0.00 2.89 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 4 K 8.74 4.47 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 5 V 9.01 4.27 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 0.96 0.00 0.00 0.94 0.00 0.00 6 I 8.38 4.74 1.89 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 1.36 0.77 0.98 0.00 0.00 7 L 8.39 4.40 0.00 1.58 1.58 1.20 0.94 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 8 N 8.35 4.73 0.00 2.73 2.74 0.00 0.00 7.02 7.98 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 9 G 8.78 4.38 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 0.00 10 K 8.65 4.13 0.00 1.74 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 11 T 7.68 4.34 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 1.20 0.00 0.00 12 L 7.46 4.80 0.00 1.66 1.46 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.14 5.03 0.00 1.62 1.63 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 14 G 8.13 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.79 5.15 0.00 1.81 1.80 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 2.22 2.30 0.00 16 T 9.78 4.85 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 1.33 0.00 0.00 17 T 8.09 5.43 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 1.20 0.00 0.00 18 T 8.61 4.50 4.05 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 1.17 0.00 0.00 19 E 8.63 5.23 0.00 2.00 1.82 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 2.22 2.45 0.00 20 A 8.94 4.71 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.62 3.64 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 0.86 0.00 0.00 0.94 0.00 0.00 22 D 9.04 5.26 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.78 3.07 1.41 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 24 A 7.91 3.96 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 25 T 9.38 3.75 4.18 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 0.00 0.00 1.24 0.00 0.00 26 A 7.94 3.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 3.79 0.00 2.01 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 0.00 2.31 2.37 0.00 28 K 8.73 3.92 0.00 1.87 1.82 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.57 7.81 29 V 8.27 3.54 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.90 0.00 0.00 30 V 8.34 3.51 2.25 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 0.99 0.00 0.00 0.86 0.00 0.00 31 K 8.18 4.02 0.00 2.07 1.92 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.75 7.81 32 Q 8.30 3.79 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 33 F 7.97 4.66 0.00 2.92 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 34 F 7.56 4.42 0.00 3.23 3.06 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 0.00 0.00 0.00 0.00 35 N 8.99 4.20 0.00 2.79 2.99 0.00 0.00 7.27 8.38 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 36 D 8.23 4.65 0.00 2.90 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 37 N 9.01 4.54 0.00 2.67 2.75 0.00 0.00 5.74 5.12 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 38 G 8.94 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 39 V 8.72 4.08 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 0.73 0.00 0.00 0.92 0.00 0.00 40 D 7.56 4.85 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.56 0.00 2.01 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 2.40 2.39 0.00 43 W 8.97 5.25 0.00 3.17 3.29 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 44 T 8.61 4.77 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 1.28 0.00 0.00 45 Y 8.58 4.87 0.00 2.88 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 46 D 8.21 4.61 0.00 2.61 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.48 3.69 0.00 2.58 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 48 A 7.83 3.94 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 49 T 7.78 4.54 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 50 K 7.71 4.16 0.00 1.97 2.07 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.57 7.81 51 T 7.61 5.03 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 1.31 0.00 0.00 52 F 9.39 5.50 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 53 T 9.37 4.43 4.27 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 1.24 0.00 0.00 54 V 8.23 3.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 55 T 7.86 4.48 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 1.23 0.00 0.00 56 E 8.86 3.97 0.00 2.08 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 2.44 2.40 0.00