NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6926 8.2827 119.2062 53.1460 39.2691 174.4025 2 E 3.6573 8.6873 126.7874 58.3693 30.3466 177.8466 3 C 4.1920 8.8660 119.4656 60.1069 45.5295 175.5938 4 V 3.8246 8.3140 119.8112 65.6124 30.8160 178.0657 5 S 4.1174 8.0552 114.1471 61.4493 62.7751 176.1945 6 K 4.1196 8.0415 118.8822 56.9213 31.9045 177.8227 7 G 3.6486 7.8411 107.9682 44.8473 0.0000 173.3816 8 F 5.2218 7.9010 120.0323 56.0811 42.4627 174.5842 9 G 4.4001 8.4403 104.8207 46.0223 0.0000 171.7509 10 C 5.3157 8.7340 118.4679 56.3515 36.8064 173.2473 11 L 4.9772 8.9662 121.7035 52.1797 46.3791 174.0386 12 P 4.4499 0.0000 0.0000 63.1132 32.2766 177.2989 13 Q 3.9946 9.1225 122.4813 59.3013 28.8096 179.6944 14 S 4.2012 8.1244 110.4891 60.5648 62.9684 174.3910 15 D 4.7103 8.1912 119.0622 53.9974 41.3221 175.3738 16 C 4.7525 7.8780 118.6496 53.7905 42.8619 171.7863 17 P 4.5900 0.0000 0.0000 62.0068 32.0799 177.7572 18 Q 4.0023 8.7743 119.4217 59.3080 28.7325 179.2236 19 E 3.9092 8.1904 116.6352 58.3305 30.0088 176.8710 20 A 4.4402 8.2100 120.6801 52.2521 19.7438 177.2309 21 R 4.5021 7.4354 115.0463 55.7478 30.7910 175.9879 22 L 4.6286 8.2111 120.4328 52.8395 44.9410 177.2335 23 S 4.2746 7.9090 114.0473 59.1613 63.6615 174.3427 24 Y 4.4667 7.1457 119.4719 58.3079 38.2136 176.3332 25 G 3.8991 9.1074 113.2376 44.7673 0.0000 173.8929 26 G 3.9906 8.7517 106.2137 45.5012 0.0000 174.7599 27 C 4.8817 7.8391 116.4751 55.4242 41.8708 174.1882 28 S 4.2118 8.6761 119.6509 60.8696 64.1735 175.0040 29 T 4.6027 7.4439 105.6600 61.4030 67.4700 177.9410 30 V 4.5824 7.8665 111.5966 59.1459 35.8628 172.6708 31 C 4.7738 8.7454 124.0050 56.8067 41.7030 172.6706 32 C 5.3510 9.3318 125.7972 54.8566 48.0602 172.8473 33 D 5.0317 9.1630 125.6715 52.9665 39.8817 176.8475 34 L 4.1829 8.4795 127.3613 56.9896 42.0076 179.6916 35 S 4.3125 7.9573 112.7077 60.2451 62.9209 175.1048 36 K 4.3150 7.9212 119.2811 56.7603 32.4232 176.9859 37 L 4.3314 7.5478 119.3630 54.4546 42.2509 176.0217 38 T 4.5667 8.0865 110.3000 60.5246 71.9723 174.2863 39 G 3.9956 8.3476 106.8642 45.2629 0.0000 173.9870 40 C 4.2045 8.4323 118.0457 59.5190 43.1921 175.7687 41 K 4.0970 7.6938 119.6951 58.7440 31.9370 178.9229 42 G 3.6816 8.1221 106.3634 47.9659 0.0000 173.9432 43 K 4.2828 7.7331 117.5554 56.0677 32.1254 177.2201 44 G 3.8358 8.3219 107.1031 45.4195 0.0000 173.8093 45 G 4.0470 7.9504 108.0512 44.5473 0.0000 172.4915 46 E 4.9924 9.0610 119.8371 54.3475 33.1810 173.9643 47 C 4.9780 8.9766 124.5944 57.2952 37.9701 172.6547 48 N 5.4251 9.4037 120.7907 50.3483 43.1413 172.2450 49 P 4.7958 0.0000 0.0000 62.7883 32.1395 177.3980 50 L 4.0217 8.2289 121.9106 57.9421 41.6405 178.2899 51 D 4.5601 7.9626 115.2623 53.8070 39.8931 176.1361 52 R 4.1146 7.8296 122.0538 55.9349 30.5377 175.4966 53 Q 4.1800 8.7417 127.2921 56.1259 29.5735 173.4175 54 C 4.7833 8.2471 118.3471 54.6452 45.6516 173.3477 55 K 4.2825 8.1300 118.5566 55.2887 32.3829 175.9266 56 E 4.3640 8.5372 126.8790 55.4737 30.9076 176.6546 57 L 4.3552 8.8923 129.6929 53.4738 41.1788 176.5905 58 Q 4.1358 8.3342 123.9485 58.4628 28.6383 177.8207 59 A 4.1412 7.9711 120.0027 53.9095 18.6903 178.1029 60 E 4.4714 8.0803 115.6828 56.4239 30.3157 178.0657 61 S 4.1644 7.8434 116.2056 61.5441 62.7595 176.1647 62 A 4.0416 8.0696 123.2150 55.1368 17.8695 179.4043 63 S 4.1949 7.6991 111.3635 61.0385 63.1901 175.4781 64 C 4.4731 8.0391 119.6826 57.2169 38.0921 174.2500 65 G 3.9218 7.6702 106.4255 44.0769 0.0000 172.4456 66 K 4.0110 8.1644 119.7428 57.9600 32.3389 176.8547 67 G 3.9706 9.2139 113.5223 45.4403 0.0000 172.0480 68 Q 5.1833 7.8217 117.2724 53.8604 32.8240 174.3520 69 K 4.6469 9.1754 119.1511 55.7347 37.2146 174.2019 70 C 5.0775 8.9663 121.2501 55.6508 41.2709 171.6072 71 C 5.0413 8.7940 124.3554 55.1373 42.6048 173.0745 72 V 4.4113 7.8234 122.2847 60.8307 32.9195 174.9974 73 W 4.8569 8.5463 128.1935 55.7610 30.2182 176.4175 74 L 4.3943 8.7304 121.9381 54.9190 41.4641 176.2718 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 N 8.28 4.69 0.00 2.75 2.82 0.00 0.00 6.70 6.77 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 2 E 8.69 3.66 0.00 2.15 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 0.00 2.25 2.31 0.00 3 C 8.87 4.19 0.00 3.22 3.39 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 4 V 8.31 3.82 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 1.11 0.00 0.00 1.01 0.00 0.00 5 S 8.06 4.12 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.04 4.12 0.00 1.63 1.70 0.00 1.29 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 0.37 7.81 7 G 7.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 5.22 0.00 3.28 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 9 G 8.44 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.73 5.32 0.00 2.90 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 11 L 8.97 4.98 0.00 1.54 1.50 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.45 0.00 2.08 1.99 0.00 3.74 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 2.22 2.15 0.00 13 Q 9.12 3.99 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 14 S 8.12 4.20 0.00 3.98 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 15 D 8.19 4.71 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.88 4.75 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 4.59 0.00 2.21 1.94 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 2.11 2.10 0.00 18 Q 8.77 4.00 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 19 E 8.19 3.91 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 20 A 8.21 4.44 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 21 R 7.44 4.50 0.00 1.92 1.81 0.00 3.25 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 22 L 8.21 4.63 0.00 1.38 1.02 -0.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.91 4.27 0.00 3.84 3.80 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 0.00 0.00 0.00 24 Y 7.15 4.47 0.00 3.05 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 G 9.11 3.90 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 0.00 0.00 0.00 26 G 8.75 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 0.00 0.00 0.00 27 C 7.84 4.88 0.00 2.99 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 28 S 8.68 4.21 0.00 3.87 3.93 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 29 T 7.44 4.60 4.37 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 0.00 0.00 0.00 1.22 0.00 0.00 30 V 7.87 4.58 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 0.71 0.00 0.00 0.99 0.00 0.00 31 C 8.75 4.77 0.00 3.21 3.16 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 32 C 9.33 5.35 0.00 2.99 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 33 D 9.16 5.03 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.18 0.00 1.87 1.75 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.96 4.31 0.00 3.98 4.07 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 36 K 7.92 4.32 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 37 L 7.55 4.33 0.00 1.77 1.60 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.09 4.57 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 39 G 8.35 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 0.00 0.00 0.00 40 C 8.43 4.20 0.00 2.93 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 41 K 7.69 4.10 0.00 1.84 1.81 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.43 7.81 42 G 8.12 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 43 K 7.73 4.28 0.00 1.69 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.67 7.81 44 G 8.32 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 45 G 7.95 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 0.00 0.00 0.00 0.00 46 E 9.06 4.99 0.00 2.11 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 2.32 2.38 0.00 47 C 8.98 4.98 0.00 2.92 3.03 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 48 N 9.40 5.43 0.00 2.59 2.75 0.00 0.00 6.37 7.87 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 49 P 0.00 4.80 0.00 2.29 2.20 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 50 L 8.23 4.02 0.00 1.61 1.80 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.96 4.56 0.00 2.78 2.80 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 0.00 0.00 0.00 52 R 7.83 4.11 0.00 1.91 2.08 0.00 3.48 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 53 Q 8.74 4.18 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 54 C 8.25 4.78 0.00 2.22 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 55 K 8.13 4.28 0.00 1.55 1.71 0.00 1.64 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 1.46 1.35 7.81 56 E 8.54 4.36 0.00 1.90 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 2.30 2.37 0.00 57 L 8.89 4.36 0.00 1.57 1.48 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.33 4.14 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 59 A 7.97 4.14 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 60 E 8.08 4.47 0.00 1.95 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 2.22 2.44 0.00 61 S 7.84 4.16 0.00 4.00 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 62 A 8.07 4.04 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 63 S 7.70 4.19 0.00 3.98 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 64 C 8.04 4.47 0.00 3.13 3.19 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 0.00 0.00 0.00 0.00 65 G 7.67 3.92 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 0.00 0.00 0.00 66 K 8.16 4.01 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 67 G 9.21 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.82 5.18 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 69 K 9.18 4.65 0.00 1.81 1.83 0.00 1.25 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.33 7.81 70 C 8.97 5.08 0.00 3.11 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 71 C 8.79 5.04 0.00 2.32 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.82 4.41 1.94 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 0.73 0.00 0.00 0.82 0.00 0.00 73 W 8.55 4.86 0.00 3.35 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 74 L 8.73 4.39 0.00 1.67 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00