NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.3160 8.0093 121.0493 61.3493 39.3009 174.2689 2 V 4.4054 7.8853 125.1673 60.2518 34.4831 171.8995 3 C 4.8734 9.6329 123.0164 55.4312 46.9796 174.3793 4 H 4.1048 9.2984 123.7093 55.9127 29.4182 174.6038 5 T 4.0470 8.2657 114.2367 62.3338 67.7315 173.8052 6 T 4.2769 8.4760 116.8574 63.2884 68.7834 174.2483 7 A 3.5998 7.4184 121.6264 53.2801 15.9542 179.4503 8 T 3.9724 8.1638 118.9808 67.2826 68.9436 174.7137 9 S 4.4550 7.4625 120.8614 58.1948 66.3636 175.7416 10 P 4.4783 0.0000 0.0000 60.4980 29.8955 172.9744 11 I 3.6298 7.9857 125.0642 62.8557 36.9968 175.4786 12 S 4.3975 8.6673 119.4019 56.8994 64.2116 171.5311 13 A 3.9120 8.3353 127.3140 52.0929 18.2028 176.9410 14 V 4.3605 7.6710 120.0100 60.9905 34.6507 174.3535 15 T 4.6365 7.9878 116.2256 61.7632 68.8024 175.4893 16 C 4.9831 8.1163 118.7600 55.9115 42.5187 173.1674 17 P 4.7731 0.0000 0.0000 61.6591 31.4546 174.6778 18 P 4.5823 0.0000 0.0000 63.5232 31.2442 176.1392 19 G 4.1376 7.8409 114.5446 44.0421 0.0000 173.6712 20 E 4.5021 7.6756 126.4935 54.5653 30.6172 176.1771 21 N 5.2084 8.0284 121.9058 52.2956 41.0840 173.8779 22 L 4.3422 8.8353 122.5551 55.7159 42.9844 176.3987 23 C 5.7167 8.9945 116.4008 54.7633 40.8744 173.9649 24 Y 5.4789 8.0583 122.2990 55.5507 40.6570 174.5145 25 R 4.4499 8.5660 118.9158 54.6984 33.4377 174.2497 26 K 4.3784 8.6971 127.3875 55.7431 32.2955 175.7085 27 M 4.9913 8.1418 122.7759 52.4632 35.1839 174.7528 28 W 5.1987 8.4499 121.3226 57.9973 31.1366 177.2520 29 C 4.7893 7.9233 114.9799 57.8020 46.9102 170.8644 30 D 4.3379 8.7940 122.5570 54.4463 41.8476 171.5571 31 A 3.3734 8.5775 124.6340 53.4623 14.4941 177.2950 32 F 3.6760 8.0884 120.2763 58.4209 37.3707 175.1794 33 C 4.8256 8.0231 118.4809 55.6637 43.8910 174.4751 34 S 4.3188 7.5573 123.4297 59.1923 66.0645 177.1210 35 S 4.3977 9.2544 117.8790 60.3452 66.2781 174.2090 36 R 4.3289 7.8474 119.2367 55.5404 30.7040 177.8356 37 G 3.8861 8.5902 110.2573 45.7982 0.0000 174.5830 38 K 4.2029 8.8231 115.3417 54.9426 36.8766 175.1171 39 V 3.3436 7.5925 119.0718 63.0106 31.3687 177.7377 40 V 5.0114 7.3659 114.5347 60.7361 32.6261 175.8642 41 E 4.3204 7.6483 120.7156 56.4560 28.5474 178.2443 42 L 4.0671 7.6674 125.0002 54.0962 43.9010 175.1293 43 G 3.7670 6.5600 103.7271 46.4460 0.0000 171.8108 44 C 6.1297 9.0065 118.8007 53.6878 42.6353 173.5333 45 A 5.0943 8.7562 126.2139 50.2069 22.5635 175.8687 46 A 4.8934 9.0024 120.1216 51.5818 19.5199 177.6011 47 T 4.6442 7.5692 105.6263 60.0463 72.1511 174.9959 48 C 4.8875 8.4560 123.2899 54.3479 43.1940 170.5038 49 P 4.3412 0.0000 0.0000 64.1763 31.5915 175.6812 50 S 4.5388 7.8354 108.2818 58.3914 65.0891 176.7106 51 K 4.2322 8.0483 124.5525 57.5862 35.6776 174.8366 52 K 4.2209 8.3850 114.0188 54.5369 31.1814 173.9290 53 P 4.2629 0.0000 0.0000 64.8387 31.8061 179.1247 54 Y 3.8524 7.8313 112.5773 57.3186 35.7741 168.9747 55 E 5.9800 6.6591 130.1098 56.3229 31.4546 176.5475 56 E 4.5878 7.5708 131.9490 56.7733 34.9254 173.0421 57 V 4.3993 8.4754 119.7578 62.1402 32.8009 177.3846 58 T 4.6182 8.5750 125.6416 63.3017 70.5150 170.8708 59 C 5.1776 8.0482 115.5941 54.4525 42.8430 174.5193 60 C 5.3453 7.7932 115.9822 56.3333 47.0355 172.6977 61 S 4.5137 8.6143 132.1000 60.7932 61.9483 172.9599 62 T 3.3097 8.9975 117.5845 61.9704 65.9544 171.6377 63 D 4.6510 8.7633 122.2187 54.8593 42.0625 177.2347 64 K 3.7040 8.9334 124.2674 57.8272 30.9484 173.8419 65 C 4.7345 8.0024 114.6678 56.5063 44.1934 172.6116 66 N 4.9546 7.7914 114.4637 52.3665 37.0277 173.9137 67 P 3.3916 0.0000 0.0000 66.1112 31.7572 176.0747 68 H 4.7304 8.4043 122.8119 56.0556 28.0596 174.8466 69 P 4.6376 0.0000 0.0000 61.3576 29.7949 175.6432 70 K 4.5334 7.7711 128.1672 56.9823 33.1143 176.8158 71 Q 4.2379 8.0502 118.5070 55.2062 29.3521 175.6491 72 R 4.5263 8.2504 123.3058 53.5398 31.7953 173.9710 73 P 4.1142 0.0000 0.0000 64.3912 31.8624 176.6334 74 G 4.0130 8.8019 110.5798 45.7586 0.0000 172.9936 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 4.32 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 1.63 1.43 0.94 0.00 0.00 2 V 7.89 4.41 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 0.47 0.00 0.00 0.95 0.00 0.00 3 C 9.63 4.87 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.30 4.10 0.00 3.21 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.27 4.05 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 1.25 0.00 0.00 6 T 8.48 4.28 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 1.27 0.00 0.00 7 A 7.42 3.60 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 8 T 8.16 3.97 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 S 7.46 4.46 0.00 3.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.20 2.06 0.00 3.83 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 1.93 1.97 0.00 11 I 7.99 3.63 1.85 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 1.27 0.38 0.89 0.00 0.00 12 S 8.67 4.40 0.00 3.93 3.84 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 13 A 8.34 3.91 1.25 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 0.00 0.00 0.00 14 V 7.67 4.36 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 0.90 0.00 0.00 0.95 0.00 0.00 15 T 7.99 4.64 4.22 0.00 0.00 0.00 0.00 0.00 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 16 C 8.12 4.98 0.00 3.03 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 17 P 0.00 4.77 0.00 2.15 2.08 0.00 3.74 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 1.89 1.91 0.00 18 P 0.00 4.58 0.00 2.20 2.17 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 19 G 7.84 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 0.00 0.00 0.00 20 E 7.68 4.50 0.00 2.03 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 2.30 0.00 21 N 8.03 5.21 0.00 2.68 2.72 0.00 0.00 7.21 7.88 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 22 L 8.84 4.34 0.00 1.76 1.96 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.99 5.72 0.00 2.84 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 24 Y 8.06 5.48 0.00 3.22 3.12 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 0.00 0.00 0.00 0.00 25 R 8.57 4.45 0.00 1.85 1.79 0.00 3.04 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 26 K 8.70 4.38 0.00 2.02 1.69 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.57 7.81 27 M 8.14 4.99 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 28 W 8.45 5.20 0.00 3.29 3.05 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 0.00 29 C 7.92 4.79 0.00 2.97 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 D 8.79 4.34 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 3.37 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 3.68 0.00 3.12 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 33 C 8.02 4.83 0.00 2.96 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 S 7.56 4.32 0.00 3.89 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.25 4.40 0.00 3.72 3.76 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 36 R 7.85 4.33 0.00 1.76 1.83 0.00 3.46 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 37 G 8.59 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.82 4.20 0.00 1.69 1.59 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.36 7.81 39 V 7.59 3.34 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 -0.34 0.00 0.00 40 V 7.37 5.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.96 0.00 0.00 41 E 7.65 4.32 0.00 1.93 1.96 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 2.38 2.26 0.00 42 L 7.67 4.07 0.00 1.49 1.51 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.56 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.01 6.13 0.00 2.89 2.94 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 45 A 8.76 5.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.00 4.89 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 47 T 7.57 4.64 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 1.22 0.00 0.00 48 C 8.46 4.89 0.00 2.94 3.04 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 49 P 0.00 4.34 0.00 2.07 2.04 0.00 3.82 0.00 0.00 3.54 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 50 S 7.84 4.54 0.00 3.76 3.67 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 51 K 8.05 4.23 0.00 1.81 1.74 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.28 7.81 52 K 8.38 4.22 0.00 1.64 1.44 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.00 1.23 7.81 53 P 0.00 4.26 0.00 2.40 2.32 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 54 Y 7.83 3.85 0.00 3.22 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 55 E 6.66 5.98 0.00 2.39 2.45 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 2.18 2.22 0.00 56 E 7.57 4.59 0.00 2.06 1.77 0.00 0.00 0.00 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 2.25 0.00 57 V 8.48 4.40 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 0.58 0.00 0.00 0.83 0.00 0.00 58 T 8.58 4.62 4.28 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 1.22 0.00 0.00 59 C 8.05 5.18 0.00 2.97 3.05 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 0.00 60 C 7.79 5.35 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 61 S 8.61 4.51 0.00 3.88 3.62 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 62 T 9.00 3.31 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 63 D 8.76 4.65 0.00 2.74 2.62 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 64 K 8.93 3.70 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.21 7.81 65 C 8.00 4.73 0.00 2.96 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 66 N 7.79 4.95 0.00 2.73 2.75 0.00 0.00 6.00 7.91 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 67 P 0.00 3.39 0.00 2.01 2.09 0.00 3.68 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 2.04 2.22 0.00 68 H 8.40 4.73 0.00 3.08 3.65 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.64 0.00 2.19 2.02 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 70 K 7.77 4.53 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.38 7.81 71 Q 8.05 4.24 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 72 R 8.25 4.53 0.00 1.76 1.80 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 73 P 0.00 4.11 0.00 2.07 2.00 0.00 3.72 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 2.03 2.10 0.00 74 G 8.80 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00