NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2906 8.3001 120.3240 55.3908 33.3054 174.7366 2 A 4.3316 8.2575 122.5348 49.2248 19.6156 175.2423 3 T 4.4501 7.9807 116.4314 61.1874 68.8919 172.0528 4 V 4.3967 7.0403 121.4763 59.4447 35.0154 175.6060 5 A 4.3266 8.2818 122.4787 52.0028 18.5120 176.8595 6 E 4.5826 7.9600 115.9295 62.2407 30.8369 179.1163 7 R 3.5490 8.2006 115.5954 61.2274 26.5385 177.7092 8 C 3.7930 8.0502 113.5440 58.6921 24.7866 173.8359 9 P 4.2554 0.0000 0.0000 64.1728 31.5105 176.5944 10 I 4.4552 7.8826 116.8485 62.2950 39.5622 175.0722 11 C 4.4852 8.1281 110.5942 59.6709 31.6447 173.2897 12 L 3.5599 7.9359 119.1263 55.4939 39.1566 173.5171 13 E 4.5120 7.3666 114.7982 55.7889 30.6498 172.3224 14 D 4.3870 8.2551 125.3595 53.2315 38.8636 172.8925 15 P 4.5322 0.0000 0.0000 66.5871 31.1325 178.6183 16 S 3.3813 6.6743 111.5080 59.6815 64.4246 174.3911 17 N 4.6866 7.5058 116.3051 52.6887 40.5047 172.7734 18 Y 5.7114 8.2253 115.9003 56.5895 42.7192 175.0244 19 S 5.1379 9.7683 117.7955 57.1536 66.0630 172.5772 20 M 5.0905 9.2414 125.7304 53.8414 33.7530 175.3341 21 A 4.8116 9.2004 126.5010 51.3475 20.2008 176.5719 22 L 5.0331 9.0412 123.4977 51.9221 44.9024 174.8652 23 P 4.8090 0.0000 0.0000 63.9751 31.4882 176.4129 24 C 4.5882 7.5576 110.6662 60.4594 30.6263 176.2102 25 L 3.5211 6.7425 118.9273 55.7927 38.2137 175.0549 26 H 4.6389 8.1650 116.8876 55.2169 31.0241 176.1120 27 A 4.9859 8.4591 126.0853 50.9319 19.4489 176.7244 28 F 4.7399 9.2585 121.4765 56.5735 42.0404 175.4613 29 C 5.2993 8.6621 117.4524 59.1854 29.4848 172.6699 30 Y 4.5882 9.0322 120.8666 60.1117 38.6233 177.3421 31 V 3.2962 8.5806 125.5099 62.7311 30.6989 176.3721 32 C 4.2442 7.8807 122.7063 63.4687 28.0691 174.8687 33 I 3.3201 7.6741 119.3847 64.6245 37.4341 177.4127 34 T 3.8392 7.9395 115.8020 66.9913 68.0447 175.8928 35 R 3.8854 7.5953 118.0062 59.6146 30.4876 178.2195 36 W 4.0921 8.2807 127.2220 60.6104 30.2101 177.3544 37 I 4.4664 8.3847 113.8976 63.9397 36.7301 178.0628 38 R 3.9604 7.6815 118.5888 58.2189 29.8766 177.1485 39 Q 4.3130 7.4601 116.3822 57.1380 30.4296 175.5364 40 N 4.9016 8.0318 116.6361 49.8478 38.7782 173.5329 41 P 4.8553 0.0000 0.0000 63.9278 31.7700 175.9116 42 T 3.4655 8.5172 100.5908 64.3328 67.0173 169.2962 43 C 3.5214 8.6416 125.6854 56.9828 32.2702 173.1594 44 P 4.1479 0.0000 0.0000 64.8209 30.9391 176.7058 45 L 4.3933 7.8732 119.5672 56.1616 43.1689 176.4662 46 C 4.6614 7.6999 111.6869 62.6008 30.2198 175.1871 47 K 4.4665 7.2990 114.7983 59.3210 29.2285 175.3800 48 V 4.4790 7.1104 116.7206 58.9844 34.8230 175.1103 49 P 5.0811 0.0000 0.0000 63.0092 29.7242 175.3213 50 V 3.4981 6.4425 120.9961 59.7025 33.7097 173.2702 51 E 4.5884 8.6612 125.1823 57.2322 31.0794 175.9058 52 S 4.9432 7.7806 112.3888 56.8009 68.2786 172.4457 53 V 5.6808 8.6267 113.1634 58.6067 34.7011 175.7221 54 V 4.4815 8.6006 124.2654 60.1560 34.3416 174.2895 55 H 5.4289 8.2951 119.2616 53.1905 28.4007 173.5568 56 T 4.2579 8.0251 126.0073 62.5881 67.0843 173.8813 57 I 4.3858 7.2805 124.7649 59.4132 40.0907 174.1959 58 E 4.5711 7.9013 119.1383 55.7467 32.1620 178.4747 59 S 3.6344 6.9632 110.5618 59.9235 58.3066 171.5299 60 D 4.9445 8.6634 122.3715 51.0880 42.3532 175.3400 61 S 4.1473 6.5669 112.2867 57.6429 62.4843 172.9832 62 E 4.2968 7.8234 130.0033 55.6565 31.9794 176.0302 63 F 3.9270 7.9555 120.1715 57.3571 37.8697 174.2805 64 G 4.1001 8.8453 105.7770 46.9814 0.0000 172.8663 65 D 5.0593 7.7227 122.9503 53.6011 41.9266 176.6584 66 Q 4.3597 8.8033 111.5877 56.4486 30.4146 176.3249 67 L 4.4764 7.9943 115.9906 55.0990 43.9808 176.1983 68 I 4.0941 7.5506 115.9084 60.8495 37.7037 175.0807 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 4.29 0.00 1.98 2.08 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 2.48 2.59 0.00 2 A 8.26 4.33 1.22 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 3 T 7.98 4.45 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 1.19 0.00 0.00 4 V 7.04 4.40 2.08 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 0.75 0.00 0.00 0.94 0.00 0.00 5 A 8.28 4.33 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 6 E 7.96 4.58 0.00 2.16 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 2.17 2.18 0.00 7 R 8.20 3.55 0.00 1.83 2.05 0.00 3.22 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 8 C 8.05 3.79 0.00 3.14 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 9 P 0.00 4.26 0.00 2.04 2.00 0.00 3.66 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 1.93 2.01 0.00 10 I 7.88 4.46 1.86 0.00 0.00 1.00 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 1.33 1.05 0.00 0.00 11 C 8.13 4.49 0.00 3.14 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 12 L 7.94 3.56 0.00 2.01 1.77 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.37 4.51 0.00 1.91 1.85 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 2.18 2.35 0.00 14 D 8.26 4.39 0.00 2.85 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 15 P 0.00 4.53 0.00 2.23 2.24 0.00 3.80 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 2.05 2.16 0.00 16 S 6.67 3.38 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.51 4.69 0.00 2.70 2.70 0.00 0.00 6.54 7.43 0.00 0.00 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 Y 8.23 5.71 0.00 2.89 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 19 S 9.77 5.14 0.00 4.06 4.35 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 20 M 9.24 5.09 0.00 2.01 2.08 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 2.58 2.42 0.00 21 A 9.20 4.81 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 22 L 9.04 5.03 0.00 1.74 1.60 0.96 0.85 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 23 P 0.00 4.81 0.00 2.18 2.14 0.00 3.72 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 1.99 1.96 0.00 24 C 7.56 4.59 0.00 3.03 3.01 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 25 L 6.74 3.52 0.00 1.79 1.95 0.87 0.70 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 26 H 8.17 4.64 0.00 3.28 2.68 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.46 4.99 0.72 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 0.00 0.00 28 F 9.26 4.74 0.00 3.10 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 29 C 8.66 5.30 0.00 2.96 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 30 Y 9.03 4.59 0.00 2.87 2.86 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 31 V 8.58 3.30 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 -0.03 0.00 0.00 0.74 0.00 0.00 32 C 7.88 4.24 0.00 3.13 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 33 I 7.67 3.32 0.56 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.96 0.88 0.00 0.00 34 T 7.94 3.84 4.35 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 1.18 0.00 0.00 35 R 7.60 3.89 0.00 1.93 2.01 0.00 3.32 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 36 W 8.28 4.09 0.00 3.46 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 37 I 8.38 4.47 1.92 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 1.77 1.36 0.93 0.00 0.00 38 R 7.68 3.96 0.00 1.96 2.06 0.00 3.12 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 39 Q 7.46 4.31 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.07 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 40 N 8.03 4.90 0.00 1.95 2.54 0.00 0.00 6.27 7.62 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 41 P 0.00 4.86 0.00 2.07 2.09 0.00 3.83 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 2.04 2.26 0.00 42 T 8.52 3.47 4.29 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 1.25 0.00 0.00 43 C 8.64 3.52 0.00 3.08 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 44 P 0.00 4.15 0.00 1.37 0.49 0.00 3.47 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.91 0.00 45 L 7.87 4.39 0.00 1.50 1.54 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.70 4.66 0.00 3.10 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 47 K 7.30 4.47 0.00 1.92 2.28 0.00 1.70 0.00 0.00 1.99 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.55 7.81 48 V 7.11 4.48 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 1.11 0.00 0.00 0.98 0.00 0.00 49 P 0.00 5.08 0.00 2.19 2.11 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 50 V 6.44 3.50 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 0.84 0.00 0.00 1.01 0.00 0.00 51 E 8.66 4.59 0.00 1.99 1.88 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 2.23 2.26 0.00 52 S 7.78 4.94 0.00 3.78 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 53 V 8.63 5.68 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 0.65 0.00 0.00 1.02 0.00 0.00 54 V 8.60 4.48 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 1.01 0.00 0.00 0.89 0.00 0.00 55 H 8.30 5.43 0.00 2.66 3.25 0.00 5.31 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 56 T 8.03 4.26 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 1.20 0.00 0.00 57 I 7.28 4.39 1.73 0.00 0.00 0.42 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 0.35 0.85 0.00 0.00 58 E 7.90 4.57 0.00 2.03 1.95 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 2.16 2.27 0.00 59 S 6.96 3.63 0.00 3.93 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 60 D 8.66 4.94 0.00 2.71 2.68 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 61 S 6.57 4.15 0.00 4.13 4.17 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 62 E 7.82 4.30 0.00 1.62 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 2.16 2.09 0.00 63 F 7.96 3.93 0.00 3.27 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 64 G 8.85 4.10 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 0.00 0.00 0.00 65 D 7.72 5.06 0.00 2.56 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 66 Q 8.80 4.36 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.59 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 67 L 7.99 4.48 0.00 1.60 1.69 0.90 0.71 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 68 I 7.55 4.09 1.88 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 1.29 1.51 0.91 0.00 0.00