NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1812 8.4401 121.4689 56.1879 29.9472 173.3476 2 A 4.3744 8.0906 127.8654 51.4151 22.1009 174.6394 3 G 3.8385 8.8583 104.1983 46.2132 0.0000 171.8088 4 E 4.5454 7.5001 118.8402 53.2318 32.1836 175.1382 5 E 4.0542 8.5748 119.8194 56.3819 29.5122 177.3220 6 C 5.8886 8.3635 135.0000 56.4973 45.9455 173.8406 7 D 4.2132 8.4292 128.6871 57.5723 40.9103 178.1005 8 C 4.6233 8.1915 114.6190 57.1539 35.9604 173.7594 9 G 4.8688 7.6537 111.7255 43.9686 0.0000 172.4472 10 S 4.8123 7.9128 120.4901 55.7191 66.8952 171.5806 11 P 4.4853 0.0000 0.0000 64.2573 29.2087 174.7406 12 G 3.7252 8.1568 114.2006 45.9834 0.0000 171.6384 13 N 5.0499 8.7616 118.8873 53.8247 38.4232 173.2229 14 P 4.1210 0.0000 0.0000 63.4036 30.4981 178.8937 15 C 4.7540 7.9995 128.6435 58.7894 41.6420 174.3443 16 C 4.5089 8.0443 119.1102 56.8358 37.4134 172.4720 17 D 4.1800 9.1821 123.3896 52.9106 43.5757 176.3927 18 A 3.6761 8.4176 119.0862 52.0913 16.4371 175.5147 19 A 4.3891 7.6367 126.3951 53.1535 25.4750 177.7739 20 T 4.2145 7.7926 101.6199 60.8328 70.6307 172.2241 21 C 4.1455 8.6277 123.0617 56.9941 39.7164 174.3852 22 K 5.2331 7.9232 124.7965 55.9900 33.0599 176.1683 23 L 4.1350 7.8206 120.4693 56.7112 41.0568 177.9586 24 R 4.1219 8.5118 121.1715 58.2688 30.5971 177.2032 25 Q 3.8607 7.5628 116.6666 54.9152 28.1491 175.1938 26 G 3.2816 8.3153 115.3428 45.4122 0.0000 174.5003 27 A 4.2178 7.4423 133.4258 51.9248 17.8565 179.3719 28 Q 4.1839 7.6199 120.1984 58.2524 27.2852 177.1314 29 C 4.0803 8.4029 122.8509 57.7007 37.8118 172.7461 30 A 4.3007 7.4447 127.0998 51.6124 19.4078 177.5246 31 E 4.0336 8.3326 112.1749 59.0072 29.8544 178.2039 32 G 4.7434 7.6170 103.7052 43.0981 0.0000 171.5205 33 L 3.9466 8.1238 123.2350 54.5074 43.2614 176.4524 34 C 5.2571 8.9562 120.3967 55.0329 46.7000 174.4394 35 C 4.7462 8.6730 119.1933 55.7559 39.4762 173.2410 36 D 4.7912 7.9236 118.6009 53.2669 42.0437 176.4038 37 Q 4.0289 9.2449 120.8023 59.5367 28.9103 179.8592 38 C 3.5930 7.7450 111.7640 58.2774 42.0020 173.8905 39 R 3.7579 8.3865 116.0974 54.8682 29.3601 173.4338 40 F 5.0040 8.0182 114.5846 56.0999 43.1355 173.0866 41 M 3.6704 8.8214 120.5267 56.7752 31.5588 175.4895 42 K 4.0811 8.2515 129.5435 56.2290 31.4354 174.5902 43 E 4.9320 7.5438 121.2481 54.7113 31.8080 175.7345 44 G 4.2238 7.5598 115.7243 43.8388 0.0000 172.7649 45 T 4.1076 7.3389 119.0314 63.5466 69.1303 175.0847 46 I 3.8121 7.0687 129.6198 61.3153 40.0865 174.0880 47 C 4.3912 9.7175 127.0855 57.8066 42.6857 175.4834 48 R 3.6067 6.9328 115.7465 57.2744 26.3229 176.7856 49 R 3.9187 8.5066 122.1299 58.2091 30.6302 176.2335 50 A 4.3984 6.7499 117.0486 52.1667 22.8769 174.3509 51 R 4.4887 7.8086 114.3598 53.7078 35.0043 181.7790 52 G 3.7403 8.7104 109.0960 47.1599 0.0000 174.1857 53 D 4.8799 9.0429 124.5984 54.7989 43.6662 176.1511 54 D 4.2546 8.1626 118.6740 55.2054 45.1225 170.8455 55 L 3.6103 9.6249 131.5252 55.6638 41.6629 173.4241 56 D 4.4487 7.1358 122.2691 55.9361 44.5390 174.0320 57 D 5.2670 7.6466 120.2694 55.2350 42.7928 174.5979 58 Y 4.5674 7.1832 117.4877 56.2039 40.5533 176.4965 59 C 4.5941 8.4113 119.3724 56.6650 41.6957 172.6241 60 N 5.6661 8.3237 120.4835 53.1755 42.4442 174.4414 61 G 4.0771 8.8773 111.9772 46.4012 0.0000 173.9467 62 I 3.9932 7.5312 111.1392 59.4088 37.0871 177.5853 63 S 4.2939 7.2301 117.9704 58.5645 61.5274 174.6682 64 A 3.0955 5.8000 117.1443 53.9021 16.8637 178.3268 65 G 4.0158 6.4636 111.0569 45.9588 0.0000 175.2951 66 C 4.8349 8.4199 119.4354 54.9102 44.1035 173.6026 67 P 4.5233 0.0000 0.0000 63.0094 30.9747 176.7577 68 R 4.6349 8.5383 119.1335 56.3301 31.7960 174.6033 69 N 4.7176 7.9474 115.3571 50.6391 40.3178 172.9172 70 P 4.2859 0.0000 0.0000 62.8688 32.0261 174.7554 71 F 4.6413 8.4206 119.8418 59.1542 41.4947 174.5467 72 H 4.3562 8.7051 119.0729 56.1021 30.2476 174.9426 73 A 4.2466 8.4455 128.5685 52.2582 19.0596 176.2209 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 E 8.44 4.18 0.00 1.94 1.93 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 2.18 2.31 0.00 2 A 8.09 4.37 1.26 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 0.00 0.00 0.00 3 G 8.86 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 4 E 7.50 4.55 0.00 2.04 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 2.24 2.20 0.00 5 E 8.57 4.05 0.00 1.94 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 2.30 2.27 0.00 6 C 8.36 5.89 0.00 3.05 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 7 D 8.43 4.21 0.00 2.68 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 8 C 8.19 4.62 0.00 2.98 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 9 G 7.65 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.91 4.81 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.17 2.12 0.00 3.75 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 1.97 2.10 0.00 12 G 8.16 3.73 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 0.00 0.00 0.00 13 N 8.76 5.05 0.00 2.64 2.84 0.00 0.00 6.84 7.92 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 14 P 0.00 4.12 0.00 2.08 2.12 0.00 4.12 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 C 8.00 4.75 0.00 2.99 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.51 0.00 3.00 3.36 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 17 D 9.18 4.18 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.42 3.68 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 19 A 7.64 4.39 1.24 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 20 T 7.79 4.21 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 21 C 8.63 4.15 0.00 3.00 3.23 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 22 K 7.92 5.23 0.00 1.79 1.81 0.00 1.18 0.00 0.00 2.41 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.29 7.81 23 L 7.82 4.14 0.00 1.83 1.98 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.51 4.12 0.00 1.81 2.02 0.00 3.19 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 Q 7.56 3.86 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.52 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 26 G 8.32 3.28 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 0.00 27 A 7.44 4.22 1.26 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 0.00 0.00 0.00 28 Q 7.62 4.18 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 29 C 8.40 4.08 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.30 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.03 0.00 2.10 2.04 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 2.37 2.39 0.00 32 G 7.62 4.74 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 0.00 0.00 0.00 33 L 8.12 3.95 0.00 1.75 1.63 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.96 5.26 0.00 3.05 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 35 C 8.67 4.75 0.00 2.95 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 36 D 7.92 4.79 0.00 2.75 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.24 4.03 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 38 C 7.74 3.59 0.00 2.84 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 39 R 8.39 3.76 0.00 1.85 2.09 0.00 3.18 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 40 F 8.02 5.00 0.00 3.02 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 41 M 8.82 3.67 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 42 K 8.25 4.08 0.00 1.91 2.11 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.17 7.81 43 E 7.54 4.93 0.00 1.99 1.79 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 2.31 2.31 0.00 44 G 7.56 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 0.00 0.00 0.00 0.00 45 T 7.34 4.11 4.19 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 1.16 0.00 0.00 46 I 7.07 3.81 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.29 0.92 0.00 0.00 47 C 9.72 4.39 0.00 2.93 3.18 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 0.00 48 R 6.93 3.61 0.00 1.79 1.95 0.00 3.51 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 49 R 8.51 3.92 0.00 1.80 2.00 0.00 3.27 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 50 A 6.75 4.40 1.19 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 0.00 0.00 51 R 7.81 4.49 0.00 1.77 1.67 0.00 3.54 0.00 0.00 3.34 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 52 G 8.71 3.74 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 0.00 0.00 0.00 53 D 9.04 4.88 0.00 2.65 2.72 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 0.00 0.00 0.00 0.00 54 D 8.16 4.25 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.62 3.61 0.00 1.66 1.71 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.14 4.45 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 5.27 0.00 2.89 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 58 Y 7.18 4.57 0.00 1.43 2.17 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 59 C 8.41 4.59 0.00 2.97 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 60 N 8.32 5.67 0.00 2.68 2.77 0.00 0.00 7.33 7.74 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 61 G 8.88 4.08 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 0.00 0.00 0.00 62 I 7.53 3.99 1.71 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.51 0.99 0.00 0.00 63 S 7.23 4.29 0.00 4.04 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 64 A 5.80 3.10 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 65 G 6.46 4.02 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 0.00 0.00 0.00 66 C 8.42 4.83 0.00 2.92 2.98 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 67 P 0.00 4.52 0.00 2.42 2.35 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 68 R 8.54 4.63 0.00 1.77 1.91 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 69 N 7.95 4.72 0.00 2.04 2.36 0.00 0.00 7.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.29 0.00 2.01 1.93 0.00 3.38 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 71 F 8.42 4.64 0.00 3.42 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.71 4.36 0.00 3.18 3.34 0.00 5.90 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 73 A 8.45 4.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00