NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3428 8.3044 120.3282 53.2923 33.6494 175.5405 2 E 4.1932 9.4923 129.5071 57.3757 30.6336 174.2094 3 K 4.0247 8.0009 118.2058 59.2749 33.0171 179.0525 4 V 3.5659 7.6897 117.9880 66.3110 31.8401 177.8790 5 Q 4.1852 8.2074 117.2510 59.2300 28.4494 178.4606 6 Y 3.8974 8.0904 120.4709 60.3281 38.9770 177.6897 7 L 4.0175 7.9431 119.8280 58.1672 41.8737 179.2929 8 T 3.8383 8.3546 113.4286 65.2526 67.3594 176.0893 9 R 3.8807 7.9185 120.3028 59.4343 30.1708 178.6817 10 S 4.0378 7.9411 114.9315 61.2191 62.7560 176.5529 11 A 3.9281 7.8929 123.1802 55.3894 18.0818 179.6397 12 I 3.8258 7.5172 116.8877 64.5653 37.1683 178.3706 13 R 4.0448 7.7128 118.9109 58.9183 30.1093 178.0050 14 R 4.2382 7.7238 112.9605 57.1690 29.7566 177.2527 15 A 4.5879 8.2041 121.7078 51.8227 19.1501 178.2957 16 S 4.2397 8.0212 113.5256 60.7248 63.3040 174.7371 17 T 4.6246 7.6104 111.1615 61.4235 69.1996 174.1745 18 I 4.7750 7.2793 120.1056 61.1471 41.4284 175.8353 19 E 4.7234 8.3028 120.5041 54.7298 30.4352 174.5359 20 M 4.8919 7.5322 120.1475 53.0811 36.5833 173.5043 21 P 4.2748 0.0000 0.0000 63.2988 31.2943 176.1332 22 Q 3.7534 7.6367 119.6217 57.8403 28.2209 175.7437 23 Q 4.0709 7.9806 115.3269 59.4914 28.9448 179.6446 24 A 3.9526 7.9381 120.8772 55.0392 18.5504 179.2614 25 R 3.7767 7.9229 117.1340 59.7964 30.0716 178.6522 26 Q 3.9430 7.9678 116.9234 59.1064 28.8151 178.7183 27 K 3.9760 8.3109 119.5921 59.4362 32.0102 179.3998 28 L 4.0123 8.4645 119.4594 57.9235 41.7107 179.2175 29 Q 4.0274 7.9322 117.7093 59.4593 28.8507 179.1073 30 N 4.3903 8.0212 116.7064 56.3938 38.6556 177.4036 31 L 4.0558 8.4031 120.5870 57.8668 41.6620 179.5759 32 F 4.0908 8.9235 120.7313 61.3994 39.4173 176.8158 33 I 3.9000 7.8557 118.9693 64.7298 37.1213 177.5908 34 N 4.2290 8.0799 117.0131 56.9209 38.7352 176.5587 35 F 4.1369 8.6037 122.5053 61.1763 39.3937 176.7230 36 C 3.6373 8.4419 114.7916 61.1313 29.2864 175.8360 37 L 3.8447 7.6398 121.7232 57.5121 41.3422 179.5202 38 I 3.5753 7.3400 119.0280 64.1934 36.9821 178.2297 39 L 3.5922 7.5539 121.3097 58.2353 41.9269 179.1353 40 I 3.6797 7.9759 119.9643 65.0104 36.9590 177.3304 41 C 4.0736 7.9896 117.8315 62.5823 27.8548 175.6898 42 L 3.9760 8.1835 120.6044 58.1387 41.4137 179.8684 43 L 3.9207 7.8808 118.8728 57.8169 41.6256 179.2050 44 L 3.9797 7.9980 118.6800 58.0808 41.5367 179.8969 45 I 3.6726 7.6897 119.3880 64.4980 37.1732 178.1049 46 C 4.0645 7.9651 117.4474 62.9444 28.1024 176.0656 47 I 3.6919 7.6640 121.1852 64.6197 36.7246 178.4139 48 I 3.6669 7.6702 120.2772 64.5503 36.7579 178.5157 49 V 3.6142 7.7150 117.6363 66.4641 31.2303 177.6719 50 M 4.2270 7.6457 117.2077 58.1766 31.9214 178.3369 51 L 4.1271 7.5901 118.1263 57.4860 41.8458 177.7568 52 L 4.2755 7.7093 122.5547 55.2000 41.7861 176.8941 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 8.30 4.34 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 E 9.49 4.19 0.00 2.25 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 0.00 2.29 2.36 0.00 3 K 8.00 4.02 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 V 7.69 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 5 Q 8.21 4.19 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 6 Y 8.09 3.90 0.00 3.28 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 7 L 7.94 4.02 0.00 1.96 1.73 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.35 3.84 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 1.28 0.00 0.00 9 R 7.92 3.88 0.00 2.04 1.75 0.00 3.04 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 S 7.94 4.04 0.00 4.15 3.88 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 11 A 7.89 3.93 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 12 I 7.52 3.83 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.89 0.00 0.00 13 R 7.71 4.04 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 R 7.72 4.24 0.00 2.03 2.02 0.00 3.10 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 15 A 8.20 4.59 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.24 0.00 3.98 4.12 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 17 T 7.61 4.62 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 1.20 0.00 0.00 18 I 7.28 4.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.90 0.00 0.00 19 E 8.30 4.72 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 20 M 7.53 4.89 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 21 P 0.00 4.27 0.00 2.17 2.13 0.00 3.89 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 1.98 1.97 0.00 22 Q 7.64 3.75 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 23 Q 7.98 4.07 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 24 A 7.94 3.95 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 25 R 7.92 3.78 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 Q 7.97 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 27 K 8.31 3.98 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 L 8.46 4.01 0.00 1.91 1.71 0.91 0.98 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 29 Q 7.93 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 30 N 8.02 4.39 0.00 2.74 2.89 0.00 0.00 7.42 8.08 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 31 L 8.40 4.06 0.00 1.83 1.77 0.96 0.99 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 32 F 8.92 4.09 0.00 3.15 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 33 I 7.86 3.90 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.96 0.00 0.00 34 N 8.08 4.23 0.00 2.83 3.01 0.00 0.00 6.97 7.26 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 35 F 8.60 4.14 0.00 3.08 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 36 C 8.44 3.64 0.00 2.82 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 37 L 7.64 3.84 0.00 1.66 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.34 3.58 1.79 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 1.35 1.00 0.72 0.00 0.00 39 L 7.55 3.59 0.00 0.92 1.43 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.98 3.68 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.87 0.00 0.00 41 C 7.99 4.07 0.00 3.04 2.84 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 42 L 8.18 3.98 0.00 1.68 1.70 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.88 3.92 0.00 1.81 1.67 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.00 3.98 0.00 1.80 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.69 3.67 2.01 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 1.50 0.69 0.90 0.00 0.00 46 C 7.97 4.06 0.00 3.17 2.97 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 47 I 7.66 3.69 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.90 0.00 0.00 48 I 7.67 3.67 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.90 0.00 0.00 49 V 7.72 3.61 2.23 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 0.78 0.00 0.00 0.95 0.00 0.00 50 M 7.65 4.23 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 51 L 7.59 4.13 0.00 1.82 1.73 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.71 4.28 0.00 1.80 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00