NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4480 8.2931 120.3247 55.5539 33.3966 174.2560 2 G 3.4563 8.7830 107.8390 48.0734 0.0000 172.5173 3 R 4.4278 8.3866 120.9594 54.1160 32.8170 173.9210 4 R 4.1405 8.4341 122.4746 57.8729 30.7869 176.8358 5 R 4.6450 7.5410 116.7788 54.5234 33.2975 173.7903 6 S 4.8115 8.2813 116.7049 56.1349 65.9976 173.5435 7 H 4.4229 8.7284 119.3648 59.1531 29.5345 176.8823 8 E 4.0461 8.1610 120.0523 59.2447 29.6500 178.7907 9 R 4.1603 8.0429 117.5902 58.5161 29.9598 178.1155 10 R 4.0143 7.6074 117.6762 58.8180 30.0811 176.3761 11 D 4.8206 7.8257 115.9111 53.7406 41.4616 175.7438 12 L 4.6299 7.3487 119.1761 52.1366 43.9058 174.4788 13 P 4.5824 0.0000 0.0000 60.7538 32.7974 173.8899 14 P 4.2729 0.0000 0.0000 64.0028 31.9319 175.7572 15 N 4.1019 9.2628 116.1888 53.5711 35.5436 173.1728 16 L 4.8061 6.5001 119.0062 53.9449 45.0383 174.4323 17 Y 5.1159 8.7328 122.6877 56.4045 42.8049 173.7707 18 I 4.5254 8.4771 120.8551 59.7079 39.9569 175.9107 19 R 4.4498 8.5073 128.2169 55.2936 32.0118 175.8376 20 N 4.5180 8.5187 114.1134 56.0702 37.7571 176.4074 21 N 4.7374 8.2082 114.8073 53.1121 38.5588 175.9456 22 G 3.6573 7.6891 104.4519 46.0952 0.0000 172.6698 23 Y 4.3811 7.1885 118.5053 55.7255 40.8898 174.8783 24 Y 5.0443 8.5921 123.7989 57.9003 40.3287 174.1756 25 C 5.7064 9.1889 117.3069 58.4227 33.6751 172.4847 26 Y 5.3522 8.6627 122.9770 55.3559 40.3146 174.1508 27 R 4.5978 7.9380 127.7103 55.5694 31.2234 175.4416 28 D 4.7002 8.6704 127.0477 53.2546 42.0084 175.6777 29 P 4.4530 0.0000 0.0000 64.0887 32.0553 177.5392 30 R 4.2156 7.9458 118.5606 58.6724 30.3543 177.2301 31 T 4.4653 7.6851 103.5730 60.2034 70.1768 174.7932 32 G 3.8363 8.5683 110.4470 44.9414 0.0000 173.4256 33 K 4.4361 7.6267 119.9538 56.0427 34.3386 174.7998 34 E 4.8715 7.6815 117.6358 56.2655 32.6206 173.8929 35 F 5.2964 8.3359 116.3918 55.4959 43.8698 174.6900 36 G 3.6813 8.8768 108.4775 46.9293 0.0000 172.6778 37 L 4.5766 9.6078 127.7689 55.2808 41.5578 177.0741 38 G 4.1620 7.7245 103.0542 45.9127 0.0000 173.2379 39 R 4.1187 8.2276 118.2534 56.9424 30.9513 177.1344 40 D 4.6524 7.6468 118.5793 53.8135 42.1317 177.2659 41 R 3.5246 8.6434 122.9677 59.5458 30.4183 179.2310 42 R 3.9201 7.8001 115.0763 59.1043 29.3607 178.2411 43 I 3.6885 7.5852 120.6428 63.9143 37.3440 177.6057 44 A 3.9192 7.7958 120.7223 55.3304 18.1983 179.7841 45 I 3.4438 7.2255 118.0002 64.8287 37.3020 178.6745 46 T 3.7718 7.7039 116.4600 66.6406 68.1413 176.4083 47 E 3.8339 8.3127 120.1731 59.5229 29.5855 179.3297 48 A 3.9873 7.9761 120.5651 55.1501 18.1387 179.7267 49 I 3.5492 7.6735 117.8705 64.4678 37.4369 178.3021 50 Q 4.0548 7.9039 118.3197 59.0232 28.6229 178.7094 51 A 3.9564 7.6394 121.3424 55.3978 18.3724 179.4184 52 N 4.4304 8.2066 114.7700 56.2079 38.2190 177.7619 53 I 3.6615 7.3958 120.7122 64.3670 37.4809 177.9759 54 E 4.2375 7.9822 120.1371 59.0071 29.2507 179.2835 55 L 4.2948 8.3916 117.6971 57.0471 41.6867 178.5305 56 F 4.6843 8.2109 116.4191 57.1735 38.6615 177.3947 57 S 4.0507 8.4672 118.1801 60.7911 62.9113 174.2535 58 G 4.2430 7.5412 108.8331 44.3697 0.0000 171.2080 59 H 4.7179 8.7084 123.4327 56.8891 36.8573 174.2633 60 K 3.9058 8.2117 118.2372 57.5770 32.4393 176.4471 61 H 4.6871 8.1020 124.7624 55.2643 30.3344 172.4910 62 K 3.7307 8.0646 114.7682 56.8946 30.0966 172.5111 63 P 4.6307 0.0000 0.0000 62.6599 32.6847 176.5273 64 L 4.2089 8.0298 117.7157 56.1564 40.2862 175.7652 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 8.29 4.45 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 G 8.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.43 0.00 1.66 1.79 0.00 3.21 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 4 R 8.43 4.14 0.00 1.80 1.95 0.00 3.15 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 5 R 7.54 4.65 0.00 1.70 1.75 0.00 3.26 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 6 S 8.28 4.81 0.00 3.85 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 7 H 8.73 4.42 0.00 3.27 3.30 0.00 5.72 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 8 E 8.16 4.05 0.00 2.14 2.07 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 2.54 2.43 0.00 9 R 8.04 4.16 0.00 2.08 2.00 0.00 3.31 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 10 R 7.61 4.01 0.00 1.86 1.90 0.00 3.36 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 D 7.83 4.82 0.00 2.71 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 12 L 7.35 4.63 0.00 1.70 1.67 1.24 0.69 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 13 P 0.00 4.58 0.00 2.08 1.98 0.00 3.64 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 1.87 2.06 0.00 14 P 0.00 4.27 0.00 2.22 2.12 0.00 3.73 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 2.03 1.86 0.00 15 N 9.26 4.10 0.00 2.90 2.60 0.00 0.00 6.69 6.76 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 16 L 6.50 4.81 0.00 1.52 1.45 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.73 5.12 0.00 3.01 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 18 I 8.48 4.53 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.26 0.97 0.00 0.00 19 R 8.51 4.45 0.00 1.88 1.90 0.00 3.22 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 20 N 8.52 4.52 0.00 2.75 2.85 0.00 0.00 6.86 6.91 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 21 N 8.21 4.74 0.00 2.84 2.89 0.00 0.00 7.12 8.67 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 22 G 7.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.19 4.38 0.00 3.13 2.77 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 24 Y 8.59 5.04 0.00 3.32 2.90 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 0.00 0.00 0.00 25 C 9.19 5.71 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.66 5.35 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.60 0.00 2.02 1.84 0.00 3.26 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.76 0.00 28 D 8.67 4.70 0.00 2.65 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 29 P 0.00 4.45 0.00 2.20 2.18 0.00 3.82 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 2.04 2.04 0.00 30 R 7.95 4.22 0.00 1.84 2.05 0.00 3.23 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 31 T 7.69 4.47 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 1.23 0.00 0.00 32 G 8.57 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 0.00 0.00 0.00 33 K 7.63 4.44 0.00 1.73 1.61 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81 34 E 7.68 4.87 0.00 1.85 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 2.08 2.09 0.00 35 F 8.34 5.30 0.00 3.14 2.88 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 36 G 8.88 3.68 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 0.00 0.00 0.00 37 L 9.61 4.58 0.00 1.89 1.71 1.03 0.76 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 38 G 7.72 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.12 0.00 1.61 1.73 0.00 3.10 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 40 D 7.65 4.65 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.52 0.00 1.93 1.89 0.00 3.28 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 42 R 7.80 3.92 0.00 2.02 2.12 0.00 2.98 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 43 I 7.59 3.69 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.87 0.00 0.00 44 A 7.80 3.92 1.17 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 0.00 0.00 45 I 7.23 3.44 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.79 0.00 0.00 46 T 7.70 3.77 4.45 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 1.15 0.00 0.00 47 E 8.31 3.83 0.00 2.10 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 2.39 2.42 0.00 48 A 7.98 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.55 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.34 0.83 0.00 0.00 50 Q 7.90 4.05 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 51 A 7.64 3.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.43 0.00 2.67 2.34 0.00 0.00 6.83 7.25 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 53 I 7.40 3.66 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.91 0.00 0.00 54 E 7.98 4.24 0.00 2.19 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 2.41 2.41 0.00 55 L 8.39 4.29 0.00 1.95 2.01 1.14 1.00 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 56 F 8.21 4.68 0.00 3.34 3.13 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 0.00 0.00 0.00 0.00 57 S 8.47 4.05 0.00 3.92 3.99 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 0.00 0.00 0.00 58 G 7.54 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 0.00 0.00 0.00 0.00 59 H 8.71 4.72 0.00 3.19 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.21 3.91 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.49 7.81 61 H 8.10 4.69 0.00 3.16 3.14 0.00 5.85 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.06 3.73 0.00 1.90 1.88 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.35 7.81 63 P 0.00 4.63 0.00 2.24 2.08 0.00 3.81 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 2.00 1.98 0.00 64 L 8.03 4.21 0.00 1.70 1.61 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00