NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2490 8.2649 123.5821 51.8122 20.1216 176.9324 3 K 4.2891 8.1595 119.9779 56.5525 35.1729 175.6470 4 H 3.5508 9.7257 112.3012 58.4544 29.0497 175.3506 5 P 4.4609 0.0000 0.0000 63.1107 32.5819 176.1423 6 V 4.5519 7.9214 120.9343 58.8644 34.4422 173.1101 7 P 4.3374 0.0000 0.0000 62.7733 31.6875 176.5226 8 K 4.1407 8.6708 123.6982 58.5964 32.5663 176.9021 9 K 4.5809 7.5036 115.2838 53.9438 35.9846 175.7475 10 K 4.0599 8.5754 123.2566 56.0528 31.9787 176.9046 11 T 3.9305 8.4512 117.5497 61.7708 69.1722 174.8717 12 S 4.3306 8.4618 119.8645 58.0614 65.2176 175.3217 13 K 3.4658 8.7431 122.4661 59.8033 31.7087 178.9394 14 A 3.9556 8.0352 120.4545 55.6337 18.0729 179.5625 15 R 3.8917 7.9731 115.9449 59.7829 30.4322 177.8053 16 R 3.8042 9.0488 119.6163 59.0672 29.4750 177.6474 17 D 4.3482 8.7272 117.7239 57.8325 41.0427 179.2812 18 A 3.9710 7.7539 119.7457 55.0557 18.4199 179.2606 19 R 4.0614 8.2500 117.5742 59.2161 30.1294 178.3284 20 R 3.5688 7.4163 115.1118 57.0774 30.1654 178.0137 21 S 4.2675 7.6174 114.7229 61.7662 62.0796 176.3425 22 H 4.8928 7.5513 115.7181 56.9427 28.2613 175.6125 23 H 4.8573 8.1720 114.1822 55.5090 29.5674 177.7597 24 A 4.4480 7.7465 122.4723 51.5680 17.7335 178.7507 25 L 4.3346 8.1563 116.8982 54.4810 45.1433 175.2361 26 T 3.8620 8.5252 119.5450 61.2422 67.5913 171.8763 27 P 4.3271 0.0000 0.0000 61.6456 31.7419 174.2397 28 P 4.0542 0.0000 0.0000 62.9422 31.5634 175.3150 29 T 4.3705 8.5027 112.6451 61.0531 70.1924 173.6490 30 L 5.4595 8.3160 124.8921 53.3339 46.3177 175.6453 31 V 4.5432 8.3684 110.9785 59.7881 36.4527 172.2440 32 P 4.8456 0.0000 0.0000 62.7677 32.3902 175.4622 33 C 4.5054 8.6697 124.6368 57.0744 32.8346 172.7342 34 P 5.0373 0.0000 0.0000 61.6296 30.0674 175.6255 35 E 4.9142 7.7235 116.2405 57.4164 34.0948 176.1775 36 C 4.7190 7.5610 113.1911 57.0978 32.4848 174.2100 37 K 4.3510 8.5916 119.3632 57.1984 32.5294 176.4818 38 A 4.4552 7.6039 122.0523 52.0625 20.3407 176.9523 39 M 4.9133 8.5305 120.5621 53.9854 33.2919 175.8319 40 K 4.8866 8.8337 122.9803 53.9059 36.5230 173.8915 41 P 5.1929 0.0000 0.0000 61.5634 32.1773 174.2202 42 P 4.1005 0.0000 0.0000 64.0804 31.5983 175.8493 43 H 4.1678 9.0226 120.6962 56.7903 25.2783 173.9104 44 T 4.7212 7.5466 114.0144 62.3146 73.1913 175.1819 45 V 4.2639 7.7686 123.7886 60.9738 30.9022 175.0744 46 C 4.4211 7.8388 118.8135 56.7814 30.6288 174.0671 47 P 4.4421 0.0000 0.0000 65.5322 31.3689 178.4250 48 E 4.3022 7.8777 121.0676 55.4563 29.2490 175.5044 49 C 4.4061 9.2512 114.2090 55.8415 24.8988 173.8812 50 G 4.4079 9.1367 101.8510 41.9128 0.0000 172.9785 51 Y 4.0295 8.1188 118.7322 57.6397 38.2825 176.3566 52 Y 4.0390 6.9209 120.2307 57.8898 38.1282 175.6315 53 A 3.7555 8.9311 129.1021 52.7693 16.1118 177.2238 54 G 4.0332 7.9623 107.8504 45.8704 0.0000 172.7692 55 R 3.6027 7.7410 124.2338 54.8557 31.8829 176.6387 56 K 4.4887 8.4722 122.2207 55.9369 33.8530 175.9673 57 V 3.2177 7.2878 125.4298 65.1447 30.8273 173.4764 58 L 4.5551 8.1197 117.8244 52.8912 43.3242 175.4597 59 E 4.5901 7.8369 112.0862 56.2353 30.2540 176.2044 60 V 3.9725 8.4022 123.2107 62.8745 31.8962 175.0664 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 A 8.26 4.25 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 3 K 8.16 4.29 0.00 1.82 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.55 7.81 4 H 9.73 3.55 0.00 3.14 3.03 0.00 5.72 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.46 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 6 V 7.92 4.55 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 0.77 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.34 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.67 4.14 0.00 1.72 1.87 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.50 4.58 0.00 1.71 1.62 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 K 8.58 4.06 0.00 1.71 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 11 T 8.45 3.93 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 1.21 0.00 0.00 12 S 8.46 4.33 0.00 4.06 4.03 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 13 K 8.74 3.47 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 8.04 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.89 0.00 1.83 1.96 0.00 3.28 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 16 R 9.05 3.80 0.00 1.84 1.96 0.00 3.16 0.00 0.00 3.15 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 17 D 8.73 4.35 0.00 2.75 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 18 A 7.75 3.97 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 19 R 8.25 4.06 0.00 1.86 2.08 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 R 7.42 3.57 0.00 1.85 1.79 0.00 3.20 0.00 0.00 3.08 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 21 S 7.62 4.27 0.00 3.76 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.55 4.89 0.00 3.20 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.17 4.86 0.00 3.22 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 4.45 1.23 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 0.00 0.00 0.00 25 L 8.16 4.33 0.00 1.60 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.53 3.86 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 27 P 0.00 4.33 0.00 2.08 1.99 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 28 P 0.00 4.05 0.00 2.17 2.11 0.00 3.76 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 2.01 0.00 29 T 8.50 4.37 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 1.27 0.00 0.00 30 L 8.32 5.46 0.00 1.50 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.37 4.54 2.10 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 0.68 0.00 0.00 1.04 0.00 0.00 32 P 0.00 4.85 0.00 1.94 1.98 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 33 C 8.67 4.51 0.00 3.06 2.96 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 34 P 0.00 5.04 0.00 2.21 2.09 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 35 E 7.72 4.91 0.00 1.96 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 2.16 2.18 0.00 36 C 7.56 4.72 0.00 3.09 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 37 K 8.59 4.35 0.00 1.89 1.94 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 7.60 4.46 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.53 4.91 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 40 K 8.83 4.89 0.00 1.82 1.89 0.00 1.41 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 41 P 0.00 5.19 0.00 2.11 2.10 0.00 3.43 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 42 P 0.00 4.10 0.00 1.93 2.14 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 43 H 9.02 4.17 0.00 3.31 3.45 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.55 4.72 4.31 0.00 0.00 0.00 0.00 0.00 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 45 V 7.77 4.26 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 0.73 0.00 0.00 0.13 0.00 0.00 46 C 7.84 4.42 0.00 3.16 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 47 P 0.00 4.44 0.00 2.20 2.22 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 48 E 7.88 4.30 0.00 2.00 2.03 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 2.33 2.26 0.00 49 C 9.25 4.41 0.00 3.18 3.09 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 50 G 9.14 4.41 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 51 Y 8.12 4.03 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.92 4.04 0.00 3.08 3.02 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 53 A 8.93 3.76 1.47 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 0.00 0.00 0.00 54 G 7.96 4.03 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 0.00 0.00 0.00 55 R 7.74 3.60 0.00 1.75 1.76 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 56 K 8.47 4.49 0.00 2.02 1.77 0.00 1.93 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.39 7.81 57 V 7.29 3.22 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 0.77 0.00 0.00 0.92 0.00 0.00 58 L 8.12 4.56 0.00 1.64 1.58 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.84 4.59 0.00 2.01 1.92 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 2.08 2.19 0.00 60 V 8.40 3.97 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 0.82 0.00 0.00 0.93 0.00 0.00