NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5794 8.1648 122.9800 52.1778 20.5181 177.1816 2 T 4.1825 8.5447 118.0978 64.0052 69.7661 169.7217 3 V 4.5957 7.9841 119.6944 60.3541 35.1596 172.7757 4 K 5.0853 7.7384 119.0563 54.9206 36.7692 175.8407 5 F 4.5760 7.9274 111.1451 58.2052 42.5483 172.2990 6 K 4.6377 8.7515 118.5362 56.8600 35.0150 175.0384 7 Y 4.7394 8.0237 126.2204 56.7273 41.7845 174.3683 8 K 3.7045 8.1451 132.4831 55.3216 31.6098 177.8875 9 G 5.0181 7.0466 113.5939 45.7768 0.0000 171.8891 10 E 4.6069 7.4818 120.0273 54.0020 32.9395 174.2532 11 E 4.4060 8.5348 125.1377 56.3156 30.8147 176.0297 12 K 4.6785 7.6580 119.3672 55.4097 36.7949 174.8932 13 Q 5.0548 8.4129 122.6662 54.9923 32.8805 173.4871 14 V 4.6704 8.5340 123.6572 60.3142 35.5226 174.2873 15 D 5.5516 8.9464 121.9660 51.5200 40.5377 177.0973 16 I 3.8822 8.2371 112.2238 63.2749 37.3845 177.5314 17 S 4.4617 7.8434 114.4553 59.6067 62.9820 174.8174 18 K 4.6356 8.3775 118.3305 56.3407 34.7196 175.3693 19 I 5.0177 7.1954 119.6231 60.1135 39.1893 174.1582 20 K 4.4875 7.9763 122.2598 57.2432 40.3500 176.2904 21 K 4.4708 7.8409 122.5047 55.6608 33.0219 176.6223 22 V 5.2023 8.7015 119.2156 59.6065 35.0561 174.2152 23 W 5.1803 8.0790 126.3047 56.1455 31.8057 175.0947 24 R 4.2823 8.8042 113.5453 56.0213 28.6980 174.2462 25 V 3.6645 8.2855 123.1040 64.8476 31.8291 177.5117 26 G 4.1863 7.1433 106.2420 44.9936 0.0000 173.6554 27 K 4.4921 8.0792 120.8642 56.9886 35.9090 174.9992 28 M 4.1809 7.5081 118.0798 55.5152 36.9775 178.3418 29 I 4.9881 6.2645 119.5856 58.1994 39.9545 170.6555 30 S 4.1834 7.8247 120.0022 58.5476 62.7936 172.6045 31 F 5.3089 9.5830 122.7638 55.2006 40.8593 174.7507 32 T 4.9757 8.4183 109.7397 59.2892 70.4338 173.3384 33 Y 5.0234 7.0248 123.1688 56.8706 40.5001 174.9008 34 D 4.1207 6.0500 116.8980 54.0995 43.8655 175.8050 35 E 4.4297 8.5464 117.2738 55.8985 29.2045 175.4219 36 G 4.0765 7.4465 111.7367 47.0955 0.0000 175.5317 37 G 4.0264 8.6485 105.9362 45.2731 0.0000 175.2457 38 G 5.4914 7.2407 123.0618 45.8826 0.0000 172.4848 39 K 4.1641 7.6507 118.4820 55.7755 31.4671 174.5542 40 T 3.2530 7.7128 119.1547 61.7603 67.8126 170.7514 41 G 4.2491 7.3015 114.6945 44.6489 0.0000 172.4716 42 R 4.2262 7.9500 125.8133 56.2264 31.5987 175.0187 43 G 3.8754 7.8787 108.1539 45.7969 0.0000 172.2574 44 A 4.6871 8.6418 124.0692 50.5045 20.0834 177.2353 45 V 3.9928 7.7794 116.9175 60.0437 33.0157 175.8475 46 S 4.5271 8.8912 120.9663 56.7138 63.7126 174.7043 47 E 4.1534 8.7169 124.9165 59.3734 29.2876 179.0318 48 K 4.2429 7.8139 117.4495 57.4062 32.7920 177.4416 49 D 4.3724 9.2224 118.6316 57.4006 40.9704 177.0094 50 A 4.2406 7.5103 119.9644 50.7438 19.5858 175.9465 51 P 4.4317 0.0000 0.0000 62.4961 29.6319 177.1617 52 K 3.8665 7.7383 115.3557 57.7987 31.2741 174.5689 53 E 4.5897 7.6786 115.0758 56.0634 29.6552 175.6765 54 L 4.5442 7.7136 117.9935 55.3340 44.6802 178.1197 55 L 4.1389 7.9819 120.1571 58.4490 39.6864 178.7206 56 Q 4.1901 7.9969 119.4299 58.7358 29.0759 177.2574 57 M 4.0636 9.0882 120.6702 58.0202 32.1985 177.2068 58 L 4.3375 7.5196 118.6069 56.0681 42.4403 178.0861 59 E 3.8605 7.8362 119.8109 59.2068 29.7226 178.3353 60 K 4.3724 7.8937 115.4318 57.2047 34.5058 177.2171 61 Q 4.0331 7.8208 116.2006 56.7626 26.5860 177.0264 62 K 3.9416 9.3193 130.3051 57.4853 33.2848 175.3232 63 K 5.0578 8.4188 124.1479 56.5186 33.6234 174.5281 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 A 8.16 4.58 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 4.18 4.36 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 1.22 0.00 0.00 3 V 7.98 4.60 1.87 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 0.90 0.00 0.00 0.27 0.00 0.00 4 K 7.74 5.09 0.00 1.67 1.66 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.52 7.81 5 F 7.93 4.58 0.00 3.38 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 6 K 8.75 4.64 0.00 1.59 1.68 0.00 1.49 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.30 7.81 7 Y 8.02 4.74 0.00 3.49 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 8 K 8.15 3.70 0.00 1.43 1.88 0.00 2.10 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.24 7.81 9 G 7.05 5.02 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 10 E 7.48 4.61 0.00 1.97 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 0.00 2.22 2.30 0.00 11 E 8.53 4.41 0.00 1.92 1.74 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 2.19 2.25 0.00 12 K 7.66 4.68 0.00 0.79 1.80 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.74 7.81 13 Q 8.41 5.05 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 14 V 8.53 4.67 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.10 0.00 0.00 15 D 8.95 5.55 0.00 2.95 2.93 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 0.00 0.00 0.00 16 I 8.24 3.88 1.90 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 1.49 1.08 0.93 0.00 0.00 17 S 7.84 4.46 0.00 3.98 4.13 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 0.00 0.00 0.00 0.00 18 K 8.38 4.64 0.00 1.86 2.02 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.61 7.81 19 I 7.20 5.02 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 1.14 0.00 0.00 20 K 7.98 4.49 0.00 1.78 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 21 K 7.84 4.47 0.00 1.73 1.92 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.43 7.81 22 V 8.70 5.20 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 0.72 0.00 0.00 0.99 0.00 0.00 23 W 8.08 5.18 0.00 3.43 3.38 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 24 R 8.80 4.28 0.00 1.92 1.92 0.00 3.06 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 25 V 8.29 3.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.15 0.00 0.00 26 G 7.14 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 0.00 0.00 0.00 0.00 27 K 8.08 4.49 0.00 1.68 1.75 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.38 7.81 28 M 7.51 4.18 0.00 1.93 1.47 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 29 I 6.26 4.99 1.73 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 1.14 1.35 0.88 0.00 0.00 30 S 7.82 4.18 0.00 2.72 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 31 F 9.58 5.31 0.00 3.04 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 32 T 8.42 4.98 4.05 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 1.34 0.00 0.00 33 Y 7.02 5.02 0.00 2.98 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.05 4.12 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.43 0.00 1.97 1.72 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 2.22 2.20 0.00 36 G 7.45 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 37 G 8.65 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 0.00 0.00 0.00 38 G 7.24 5.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.16 0.00 1.75 1.67 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81 40 T 7.71 3.25 4.11 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 1.15 0.00 0.00 41 G 7.30 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 0.00 0.00 0.00 0.00 42 R 7.95 4.23 0.00 2.06 1.87 0.00 3.95 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 43 G 7.88 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 44 A 8.64 4.69 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 45 V 7.78 3.99 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 0.57 0.00 0.00 46 S 8.89 4.53 0.00 3.82 3.83 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 47 E 8.72 4.15 0.00 2.03 1.99 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 2.37 2.30 0.00 48 K 7.81 4.24 0.00 1.70 1.79 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 49 D 9.22 4.37 0.00 2.82 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 50 A 7.51 4.24 1.12 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 51 P 0.00 4.43 0.00 2.21 2.21 0.00 3.97 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 52 K 7.74 3.87 0.00 1.88 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.39 7.81 53 E 7.68 4.59 0.00 1.95 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 2.23 2.25 0.00 54 L 7.71 4.54 0.00 1.59 1.46 0.80 0.47 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 55 L 7.98 4.14 0.00 1.98 1.89 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.00 4.19 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 57 M 9.09 4.06 0.00 2.11 2.03 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 2.60 2.54 0.00 58 L 7.52 4.34 0.00 1.91 1.61 0.92 0.88 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 59 E 7.84 3.86 0.00 2.20 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 2.30 2.28 0.00 60 K 7.89 4.37 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 61 Q 7.82 4.03 0.00 2.26 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 62 K 9.32 3.94 0.00 1.72 1.84 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81 63 K 8.42 5.06 0.00 1.88 1.73 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.41 7.81