NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4197 8.1814 115.2897 58.0765 62.5360 173.8481 2 G 3.4782 8.3504 115.6640 46.3200 0.0000 171.6669 3 I 3.6629 7.8535 120.7673 63.9319 38.5206 176.4827 4 V 3.5676 7.6925 118.7436 66.2376 31.4614 178.0039 5 Q 4.0221 7.9072 117.3409 59.0801 28.5114 178.7700 6 Q 4.0036 8.3951 120.7799 59.2099 29.0819 178.2747 7 Q 4.0489 8.1476 119.2420 58.8850 28.6282 178.4051 8 N 4.3880 8.2020 117.7067 56.1875 38.5593 177.1072 9 N 4.3229 8.1042 117.9667 56.4698 38.6846 177.4603 10 L 4.0219 7.9780 120.2751 57.6003 41.6123 179.3344 11 L 3.9747 7.9483 120.3860 58.2336 41.9472 179.2923 12 R 4.3146 8.7121 119.6061 58.5479 29.8639 178.8988 13 A 3.9810 8.0725 120.6546 55.3023 18.4400 179.7532 14 I 3.6519 7.8796 118.3098 64.4737 36.9953 178.5508 15 E 3.9413 8.4670 119.3643 59.3790 29.3137 179.3016 16 A 4.0914 8.3194 121.0519 55.3825 18.4325 179.7754 17 Q 4.0089 8.4711 116.8572 58.9010 28.6196 178.7815 18 Q 3.9547 8.1182 120.9064 59.4304 29.0787 177.9141 19 H 4.1584 8.0520 116.8522 58.6861 28.6450 177.5590 20 L 3.9677 7.9222 122.1510 58.1662 41.8837 178.9417 21 L 3.9909 8.3271 119.3488 58.0023 41.5630 179.6098 22 Q 3.9906 8.4065 117.8615 58.9560 28.6691 178.7293 23 A 4.1403 8.1393 121.8575 55.3616 18.4945 179.8750 24 T 3.9138 8.2708 114.5995 66.8136 68.5597 177.0628 25 V 3.7453 8.1745 120.4460 65.7830 31.5285 177.8195 26 W 4.2953 8.5521 128.3257 60.3643 30.4311 178.1013 27 G 3.5944 8.3633 105.7332 47.9462 0.0000 175.7302 28 I 3.6252 7.7154 122.0706 63.8892 37.0796 178.6101 29 K 3.8349 8.1009 119.3214 59.6332 31.7362 179.3644 30 Q 3.7127 7.5318 118.1468 58.7305 28.4872 178.9203 31 L 3.8925 7.4041 119.7408 57.8579 41.7831 179.5234 32 Q 3.9564 8.1528 117.9762 58.7903 28.3370 178.6860 33 A 4.0595 7.8382 121.0176 55.0145 18.5631 179.2707 34 R 3.8930 7.9301 115.9902 57.2752 31.0218 177.3988 35 S 4.2832 6.1252 119.6751 58.0585 62.6511 175.2225 36 G 3.7977 8.9583 106.3903 45.5738 0.0000 173.4098 37 G 3.9424 8.1198 106.2513 45.4166 0.0000 173.4054 38 R 4.9319 8.2431 113.9528 55.6838 31.3465 178.2616 39 G 3.6089 8.3315 108.4113 48.6828 0.0000 175.1145 40 G 3.3296 7.6353 105.4812 45.8666 0.0000 174.1856 41 W 5.1770 7.7511 119.5480 56.8382 29.5132 177.5658 42 M 4.1995 8.0216 121.7703 58.7721 31.4327 178.4203 43 E 4.1004 8.2771 118.2476 58.9375 29.6858 179.0377 44 W 4.2710 8.4707 128.1048 60.6455 30.9347 177.4594 45 D 4.2705 8.8502 119.2840 57.4857 40.2070 178.8914 46 R 3.8651 8.0588 119.0124 59.3102 30.0525 178.1910 47 E 3.7661 8.2812 119.0903 59.2586 29.6238 178.8572 48 I 3.5976 7.5192 119.7914 64.4775 37.1312 178.1580 49 N 4.2653 8.4005 117.6612 56.3824 38.3424 177.2715 50 N 4.2408 8.3187 118.1179 56.5787 38.5712 177.1862 51 Y 4.1670 7.9230 118.0685 61.1930 37.7788 178.6668 52 T 3.8046 8.0565 117.0956 66.5861 68.4813 177.0079 53 S 4.1147 8.1713 117.1794 61.4323 62.8306 176.6938 54 L 3.9939 8.0159 121.7126 57.8300 41.4010 179.7232 55 I 3.7044 7.9587 119.7589 64.7593 37.1014 178.0930 56 H 4.2660 8.3930 117.3651 59.0817 28.4554 177.9490 57 S 4.1518 8.2682 116.8240 61.7812 62.7303 176.8942 58 L 4.0297 7.8768 121.4712 57.5380 41.2189 179.7495 59 I 3.7112 7.7944 120.0281 64.3514 37.0957 177.9667 60 E 3.9014 8.2687 120.1775 59.1889 29.4259 178.3721 61 E 3.9116 8.3751 119.4163 59.4826 29.8069 179.0402 62 S 4.1368 8.1705 115.0656 61.7907 62.9151 176.7925 63 Q 4.0176 8.3255 120.8867 58.7323 28.1906 178.1974 64 N 4.3027 8.5714 117.9193 56.7291 39.1630 176.6398 65 Q 4.1601 8.0239 117.0277 58.3104 28.9645 177.8092 66 Q 4.1821 7.6047 121.3368 58.4639 30.3644 177.5747 67 E 4.1724 7.7096 121.6960 55.5564 26.9488 176.5080 68 K 4.2210 8.2027 121.7788 56.1032 31.6290 176.4501 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 S 8.18 4.42 0.00 3.87 3.85 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 2 G 8.35 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.66 1.87 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 1.52 1.60 0.91 0.00 0.00 4 V 7.69 3.57 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 0.98 0.00 0.00 0.93 0.00 0.00 5 Q 7.91 4.02 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 6 Q 8.40 4.00 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 7 Q 8.15 4.05 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 8 N 8.20 4.39 0.00 2.96 2.86 0.00 0.00 6.96 6.37 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 9 N 8.10 4.32 0.00 2.93 2.87 0.00 0.00 7.02 6.63 0.00 0.00 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 L 7.98 4.02 0.00 1.86 1.71 0.92 0.46 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 11 L 7.95 3.97 0.00 1.85 1.86 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.71 4.31 0.00 2.03 1.97 0.00 3.19 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 13 A 8.07 3.98 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 14 I 7.88 3.65 2.02 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 1.51 0.84 0.91 0.00 0.00 15 E 8.47 3.94 0.00 2.22 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 2.33 2.55 0.00 16 A 8.32 4.09 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 17 Q 8.47 4.01 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 18 Q 8.12 3.95 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 19 H 8.05 4.16 0.00 3.46 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.92 3.97 0.00 1.79 1.89 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.33 3.99 0.00 1.96 1.69 0.92 0.96 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 22 Q 8.41 3.99 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 23 A 8.14 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 3.91 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 25 V 8.17 3.75 2.29 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 0.96 0.00 0.00 0.97 0.00 0.00 26 W 8.55 4.30 0.00 3.57 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 27 G 8.36 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.63 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.54 0.00 0.00 29 K 8.10 3.83 0.00 1.83 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.84 7.81 30 Q 7.53 3.71 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 31 L 7.40 3.89 0.00 1.70 1.59 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.15 3.96 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.64 2.03 0.00 33 A 7.84 4.06 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 34 R 7.93 3.89 0.00 1.91 1.76 0.00 3.19 0.00 0.00 3.41 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 35 S 6.13 4.28 0.00 3.97 3.94 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 0.00 0.00 0.00 0.00 36 G 8.96 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 0.00 0.00 0.00 37 G 8.12 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.24 4.93 0.00 1.95 2.10 0.00 3.30 0.00 0.00 3.42 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 39 G 8.33 3.61 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 0.00 0.00 0.00 40 G 7.64 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 0.00 0.00 0.00 41 W 7.75 5.18 0.00 3.59 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 42 M 8.02 4.20 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.74 0.00 43 E 8.28 4.10 0.00 2.11 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 0.00 2.45 2.35 0.00 44 W 8.47 4.27 0.00 3.66 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 45 D 8.85 4.27 0.00 3.05 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.87 0.00 2.02 2.14 0.00 3.10 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 47 E 8.28 3.77 0.00 2.09 2.03 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 2.47 2.42 0.00 48 I 7.52 3.60 1.60 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.66 0.00 0.00 49 N 8.40 4.27 0.00 2.81 2.83 0.00 0.00 7.10 6.73 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 50 N 8.32 4.24 0.00 2.71 2.56 0.00 0.00 7.04 7.89 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 51 Y 7.92 4.17 0.00 3.15 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 52 T 8.06 3.80 4.34 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 1.03 0.00 0.00 53 S 8.17 4.11 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 54 L 8.02 3.99 0.00 1.97 1.76 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.96 3.70 1.93 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 0.99 0.96 0.00 0.00 56 H 8.39 4.27 0.00 3.28 3.32 0.00 5.62 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 57 S 8.27 4.15 0.00 4.15 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 58 L 7.88 4.03 0.00 1.87 1.72 0.97 0.97 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 59 I 7.79 3.71 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.97 0.00 0.00 60 E 8.27 3.90 0.00 2.01 2.12 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 2.30 2.46 0.00 61 E 8.38 3.91 0.00 2.21 2.12 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 2.31 2.36 0.00 62 S 8.17 4.14 0.00 4.09 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 63 Q 8.33 4.02 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 64 N 8.57 4.30 0.00 2.97 3.00 0.00 0.00 7.28 7.04 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 65 Q 8.02 4.16 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 66 Q 7.60 4.18 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.37 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 67 E 7.71 4.17 0.00 2.14 2.05 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 2.32 2.34 0.00 68 K 8.20 4.22 0.00 1.93 1.97 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.35 7.81