NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2941 8.3344 116.7971 56.8531 65.4017 173.0018 3 R 3.5765 7.9918 117.7959 57.1589 27.6397 170.0688 4 V 4.4966 7.2905 111.4196 59.3726 35.3314 176.7778 5 C 4.2001 8.2504 122.0879 60.6004 31.7089 176.1279 6 Q 3.9427 7.6319 124.0672 57.1295 29.1680 174.4331 7 V 4.0742 8.9229 115.6750 62.4355 32.3057 176.4769 8 T 4.4294 7.5059 106.9149 60.0238 69.6936 173.8422 9 G 3.8790 8.3759 108.6828 46.4233 0.0000 174.0749 10 K 4.0100 7.6343 119.3553 56.5502 30.9252 177.1333 11 R 4.3426 8.0944 123.2963 53.7741 31.7895 174.5710 12 P 5.0586 0.0000 0.0000 62.2349 31.8373 176.8947 13 V 4.1659 8.5199 118.3393 60.9622 33.6233 174.6691 14 T 4.9092 8.4428 115.8008 61.0151 69.9167 173.6412 15 G 4.4221 8.2463 112.5303 45.8585 0.0000 170.6998 16 N 5.5446 8.7835 116.6951 51.4584 41.4362 174.8968 17 N 4.2219 9.4069 120.3687 54.5249 39.1125 175.8412 18 R 4.2433 7.9987 115.8772 56.3108 28.4301 174.9208 19 S 4.3899 7.2575 114.7508 57.9763 65.1987 173.6101 20 H 4.1205 8.0118 118.5414 57.3554 29.9206 176.0878 21 A 3.5441 8.6167 121.6060 51.9819 16.1480 177.7056 22 L 3.6845 7.7112 114.0045 55.6613 40.0262 174.1669 23 N 4.4185 7.9050 116.7778 53.7759 39.2674 174.2283 24 A 4.5241 8.5951 126.3102 52.0693 20.0022 177.2562 25 T 4.3655 8.3709 118.6001 62.1129 71.9266 173.2831 26 K 4.4890 8.6881 126.2197 57.1885 32.4871 177.0304 27 R 4.2987 8.2201 122.1029 55.3152 34.2537 174.6983 28 R 4.4915 7.7329 112.2567 55.6916 31.7183 174.5406 29 F 4.6551 9.0930 121.7939 55.8582 40.3455 175.2846 30 L 4.5699 8.4333 124.2585 53.3940 43.2001 178.2302 31 P 4.7610 0.0000 0.0000 62.5067 30.1453 174.8112 32 N 4.7204 8.1292 115.6461 52.2219 41.8482 171.5445 33 L 3.9196 7.6168 122.4746 54.5536 41.6246 175.1805 34 H 4.6356 8.9348 114.2982 55.7835 32.3762 174.0392 35 S 3.7173 8.0268 109.5759 59.7062 60.8728 170.5226 36 H 4.5588 8.5121 126.5972 55.3736 32.0890 174.1743 37 R 4.4104 7.6133 122.5833 55.4334 29.8433 175.5234 38 F 5.0583 9.3812 124.2606 55.6484 41.1697 175.3448 39 W 5.1207 9.2354 134.0857 55.8405 30.1574 176.6490 40 V 3.5599 8.1668 120.6536 62.0276 31.3955 176.6734 41 E 2.5400 5.9000 124.3101 56.6383 29.5188 176.1503 42 S 3.8328 7.6788 111.8224 61.1236 62.5919 174.7679 43 E 4.0880 7.8281 118.8897 55.0162 29.7425 175.7904 44 K 3.8390 7.9189 117.6949 57.5830 31.2010 174.0475 45 R 4.7778 6.8001 115.9798 53.9704 32.6322 175.6496 46 F 5.7936 9.1700 130.2464 56.9493 37.1561 175.6626 47 V 4.0330 8.0855 114.4070 62.5955 33.1427 176.9719 48 T 5.4230 8.2868 117.6134 60.5823 70.7444 172.7576 49 L 4.5500 8.3158 123.9119 54.7798 44.2578 173.9991 50 R 4.4400 8.9142 121.0443 55.5963 30.6472 176.3385 51 V 4.5700 8.9178 124.3387 61.4556 30.8579 177.8237 52 S 5.6218 8.8160 118.9853 57.4114 63.5251 176.1411 53 A 4.1741 8.4273 126.9988 53.4993 18.6745 175.9106 54 K 4.1332 8.8452 123.3752 57.6048 31.6267 178.3581 55 G 3.6928 7.9385 106.4909 47.8889 0.0000 173.6929 56 M 4.2741 8.0706 119.6193 57.5659 33.0347 178.1334 57 R 4.0805 8.1962 118.1576 58.5370 29.9521 179.0962 58 V 3.5933 7.6592 118.2586 65.9936 31.6638 177.6622 59 I 3.5339 7.5162 119.2097 64.2992 36.5695 177.7722 60 D 4.4709 7.8840 118.1618 56.5431 41.3155 178.2154 61 K 4.1100 7.7921 118.5220 58.1909 32.2179 178.1243 62 K 4.3730 8.7962 117.7323 58.1947 33.4984 175.6012 63 G 3.8250 7.5614 106.2557 44.0381 0.0000 174.7482 64 I 3.0628 8.6986 126.1867 64.6795 37.0087 178.0490 65 D 4.2105 7.8390 118.8553 57.7040 40.8217 178.7013 66 T 4.0238 7.8008 114.1446 66.7767 68.1551 176.2615 67 V 3.7621 8.6745 121.6297 65.7065 31.7530 177.9621 68 L 3.6861 8.0703 118.5548 57.3636 41.1925 178.5806 69 A 3.8887 8.0448 120.2483 54.6066 18.7224 180.2110 70 E 4.4368 8.8130 116.7002 54.2126 29.7014 182.4117 71 L 3.2523 9.5131 118.8976 55.6360 43.8271 175.2088 72 R 4.4128 6.2374 117.2179 59.1416 30.6101 177.5094 73 A 4.1660 8.3803 119.1460 55.0640 18.4566 179.0428 74 R 4.0202 7.5115 115.3907 57.6185 30.1807 176.2093 75 G 4.1189 8.8246 106.1657 46.1910 0.0000 174.1494 76 E 3.8893 8.2797 119.4129 55.9871 30.7407 175.7249 77 K 3.7631 9.0108 122.5871 57.4573 31.7908 175.9873 78 Y 3.9624 8.8830 120.8330 57.5212 39.5736 168.3953 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 2 S 8.33 4.29 0.00 3.89 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 3 R 7.99 3.58 0.00 2.03 2.01 0.00 3.20 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 4 V 7.29 4.50 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 0.78 0.00 0.00 0.95 0.00 0.00 5 C 8.25 4.20 0.00 2.95 3.11 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 0.00 0.00 0.00 0.00 6 Q 7.63 3.94 0.00 2.39 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 7 V 8.92 4.07 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 0.84 0.00 0.00 0.85 0.00 0.00 8 T 7.51 4.43 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 9 G 8.38 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 0.00 0.00 0.00 10 K 7.63 4.01 0.00 1.83 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 11 R 8.09 4.34 0.00 1.81 1.88 0.00 3.21 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 12 P 0.00 5.06 0.00 2.11 2.11 0.00 3.38 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 13 V 8.52 4.17 2.15 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 0.76 0.00 0.00 1.04 0.00 0.00 14 T 8.44 4.91 4.28 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 1.26 0.00 0.00 15 G 8.25 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.78 5.54 0.00 2.61 2.71 0.00 0.00 6.79 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 17 N 9.41 4.22 0.00 2.62 2.87 0.00 0.00 7.15 7.55 0.00 0.00 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 R 8.00 4.24 0.00 1.86 1.94 0.00 3.08 0.00 0.00 3.94 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 19 S 7.26 4.39 0.00 4.06 4.04 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 20 H 8.01 4.12 0.00 3.31 3.27 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.62 3.54 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 22 L 7.71 3.68 0.00 1.75 1.77 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.91 4.42 0.00 2.69 2.78 0.00 0.00 6.93 7.13 0.00 0.00 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 A 8.60 4.52 1.23 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 0.00 0.00 25 T 8.37 4.37 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 1.20 0.00 0.00 26 K 8.69 4.49 0.00 1.62 1.77 0.00 2.04 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.42 7.81 27 R 8.22 4.30 0.00 1.53 1.58 0.00 2.21 0.00 0.00 2.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.45 0.00 28 R 7.73 4.49 0.00 1.89 1.88 0.00 2.98 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.40 0.00 29 F 9.09 4.66 0.00 2.99 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 30 L 8.43 4.57 0.00 1.65 1.61 0.92 1.11 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 31 P 0.00 4.76 0.00 2.05 1.87 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 32 N 8.13 4.72 0.00 2.69 2.72 0.00 0.00 6.85 7.85 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 33 L 7.62 3.92 0.00 1.69 1.62 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.93 4.64 0.00 3.15 3.25 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.03 3.72 0.00 4.09 3.95 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 36 H 8.51 4.56 0.00 3.22 2.87 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.61 4.41 0.00 1.30 1.38 0.00 2.25 0.00 0.00 2.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.00 38 F 9.38 5.06 0.00 3.29 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 39 W 9.24 5.12 0.00 3.02 2.99 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 40 V 8.17 3.56 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 0.71 0.00 0.00 0.72 0.00 0.00 41 E 5.90 2.54 0.00 1.70 1.65 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 2.32 2.38 0.00 42 S 7.68 3.83 0.00 3.92 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 43 E 7.83 4.09 0.00 1.95 1.84 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 2.30 2.26 0.00 44 K 7.92 3.84 0.00 1.76 1.81 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 45 R 6.80 4.78 0.00 1.96 1.77 0.00 3.18 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 46 F 9.17 5.79 0.00 3.32 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 V 8.09 4.03 2.38 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 0.93 0.00 0.00 1.25 0.00 0.00 48 T 8.29 5.42 4.28 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 1.27 0.00 0.00 49 L 8.32 4.55 0.00 1.80 1.82 1.20 0.94 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 50 R 8.91 4.44 0.00 1.76 1.98 0.00 3.21 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 51 V 8.92 4.57 2.24 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 1.13 0.00 0.00 1.34 0.00 0.00 52 S 8.82 5.62 0.00 4.14 4.03 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 53 A 8.43 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.13 0.00 1.95 1.89 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 55 G 7.94 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 0.00 0.00 0.00 56 M 8.07 4.27 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.69 0.00 57 R 8.20 4.08 0.00 2.08 1.98 0.00 3.19 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 58 V 7.66 3.59 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 1.04 0.00 0.00 0.99 0.00 0.00 59 I 7.52 3.53 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.36 0.00 0.00 60 D 7.88 4.47 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.11 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 K 8.80 4.37 0.00 1.78 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.40 7.81 63 G 7.56 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.70 3.06 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.43 0.79 0.00 0.00 65 D 7.84 4.21 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 66 T 7.80 4.02 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 1.17 0.00 0.00 67 V 8.67 3.76 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 0.85 0.00 0.00 0.80 0.00 0.00 68 L 8.07 3.69 0.00 1.56 1.29 0.69 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.04 3.89 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 70 E 8.81 4.44 0.00 2.16 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 2.32 2.41 0.00 71 L 9.51 3.25 0.00 1.74 1.29 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.24 4.41 0.00 2.42 2.07 0.00 3.30 0.00 0.00 3.53 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 73 A 8.38 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 4.02 0.00 1.87 2.11 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 G 8.82 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 0.00 0.00 0.00 76 E 8.28 3.89 0.00 2.07 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 2.43 2.49 0.00 77 K 9.01 3.76 0.00 1.92 1.72 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 78 Y 8.88 3.96 0.00 3.09 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