NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2548 8.2493 123.5726 52.2842 18.9948 175.9470 2 T 4.0776 8.0254 112.3486 61.1277 70.6204 170.7800 3 V 3.7365 8.8003 118.7084 60.7509 30.6851 175.0688 4 K 3.9597 7.8135 122.5132 54.3532 33.4061 174.7852 5 F 4.7815 8.4543 121.3470 56.1937 37.7482 178.2585 6 K 3.7454 8.9660 127.6376 58.3624 28.1576 174.2128 7 Y 4.5594 8.0521 118.6961 60.2517 38.4310 176.8824 8 K 4.3037 7.9863 117.3165 57.4874 32.9200 177.2381 9 G 3.9157 7.2978 105.4560 46.9323 0.0000 172.9371 10 E 4.0703 7.7987 122.4858 55.1824 30.5746 177.0389 11 E 4.0802 8.7399 126.3264 58.7964 30.1156 177.4182 12 K 4.1357 7.8857 118.7322 55.8806 32.5676 176.4229 13 Q 4.0524 8.4853 122.6058 55.5285 29.5980 175.2426 14 V 3.9730 7.6513 120.9573 61.0046 32.9760 175.1768 15 D 4.5196 8.1986 126.7099 53.7657 41.4643 176.5727 16 I 3.8636 8.0857 121.5665 63.1686 38.4882 177.6124 17 S 4.1374 8.1485 114.2946 61.4276 63.0181 174.8733 18 K 4.3682 7.8489 124.6972 54.7310 31.0850 176.3100 19 I 4.7777 7.9589 124.5339 59.9574 40.6384 175.8981 20 K 3.9115 8.4929 125.8197 56.8410 32.2704 173.5464 21 K 3.6093 8.1482 125.1736 55.8570 30.4911 174.1725 22 V 3.9294 5.8013 123.7198 58.9497 33.8976 174.5691 23 W 3.9948 7.9650 119.2818 57.8662 26.3006 175.3221 24 R 4.6046 7.3949 115.5637 57.3790 34.5648 175.7085 25 V 3.6674 7.6044 118.6525 62.6701 32.5505 177.6347 26 G 3.8362 8.6314 114.2738 44.7880 0.0000 172.4178 27 K 4.0174 8.6805 117.4098 59.6589 32.3623 177.5194 28 M 4.2362 7.9259 120.2389 54.9268 31.8179 175.7729 29 I 4.3934 8.1542 125.8814 59.2967 39.3103 175.2527 30 S 4.2677 8.6452 123.0357 58.1159 62.6896 173.0580 31 A 4.1496 8.2427 130.3510 51.0080 19.8620 175.9334 32 T 4.6927 7.7288 112.9184 60.0276 71.4113 172.5613 33 Y 5.0292 8.0833 123.7263 54.8570 41.7114 174.2544 34 D 4.6838 8.9483 122.3092 53.8569 41.2245 175.4562 35 E 4.3069 8.2673 128.6552 58.2720 30.1855 177.2302 36 G 4.0282 7.5979 104.0252 45.9271 0.0000 173.5018 37 G 3.6046 8.3623 110.8066 45.9993 0.0000 174.9140 38 G 4.0440 7.9473 108.3456 42.8788 0.0000 170.9884 39 K 4.3215 7.7376 119.4094 55.1911 34.7324 175.1676 40 T 4.5030 7.6595 114.3580 59.4339 70.4247 174.8686 41 G 3.3961 7.4564 112.9140 44.8306 0.0000 173.4879 42 R 4.1980 8.3668 126.2603 56.1638 30.9778 177.2029 43 G 3.8078 7.8986 108.7844 45.1515 0.0000 171.1723 44 A 4.5545 8.0223 122.0278 50.4292 21.8403 176.5945 45 V 4.4406 8.0480 121.9886 60.3018 32.6255 175.4423 46 S 4.4216 8.5271 119.5957 59.9003 62.6472 173.6701 47 E 4.9738 7.8765 115.3750 57.6870 36.5722 177.5686 48 K 3.8385 8.2208 118.0327 59.2326 32.1726 178.0147 49 D 4.5217 8.1049 114.6825 55.1825 41.1246 176.3356 50 A 4.1023 7.3615 123.8812 51.0681 18.8242 175.9504 51 P 4.6012 0.0000 0.0000 61.5401 32.5749 176.7032 52 K 4.1013 8.4940 117.8164 59.6522 32.0395 179.6427 53 E 3.9797 8.1986 118.1105 59.2888 29.1173 178.8674 54 L 3.8904 7.7513 118.8440 58.0261 42.1213 178.6989 55 L 4.1279 7.6806 117.4262 58.1527 41.7873 179.0307 56 Q 4.3282 7.4998 115.3180 57.8532 29.0232 177.1440 57 M 4.4957 7.5054 126.6543 53.5720 31.5181 175.8855 58 L 4.2771 8.4902 125.7855 56.3907 42.7879 174.7933 59 E 3.7582 8.1078 120.6675 56.1644 25.3587 172.2445 60 K 4.2030 8.1220 120.5643 56.0973 32.8352 176.2993 61 Q 4.5268 8.5572 125.0224 54.2055 30.5223 175.2388 62 K 4.1846 8.6152 123.6489 56.6854 32.2666 176.5603 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 8.25 4.25 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 2 T 8.03 4.08 4.26 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 0.00 0.00 0.00 1.14 0.00 0.00 3 V 8.80 3.74 1.89 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 0.40 0.00 0.00 0.87 0.00 0.00 4 K 7.81 3.96 0.00 1.51 1.61 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.30 7.81 5 F 8.45 4.78 0.00 2.94 1.90 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 6 K 8.97 3.75 0.00 1.91 1.98 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.51 7.81 7 Y 8.05 4.56 0.00 2.97 2.87 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 0.00 0.00 0.00 0.00 8 K 7.99 4.30 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 G 7.30 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 0.00 0.00 0.00 10 E 7.80 4.07 0.00 1.95 1.90 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 2.34 2.39 0.00 11 E 8.74 4.08 0.00 1.96 1.96 0.00 0.00 0.00 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 2.38 0.00 12 K 7.89 4.14 0.00 1.77 1.71 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 13 Q 8.49 4.05 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 14 V 7.65 3.97 1.63 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 0.47 0.00 0.00 0.49 0.00 0.00 15 D 8.20 4.52 0.00 2.65 2.53 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 0.00 0.00 0.00 0.00 16 I 8.09 3.86 1.80 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 1.35 0.92 0.87 0.00 0.00 17 S 8.15 4.14 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.37 0.00 1.83 2.12 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 19 I 7.96 4.78 2.06 0.00 0.00 1.20 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 0.96 1.41 0.00 0.00 20 K 8.49 3.91 0.00 1.64 1.78 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 21 K 8.15 3.61 0.00 1.97 1.92 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.47 7.81 22 V 5.80 3.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.69 0.00 0.00 23 W 7.97 3.99 0.00 3.47 3.16 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 0.00 0.00 0.00 0.00 24 R 7.39 4.60 0.00 1.76 1.81 0.00 3.25 0.00 0.00 3.31 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 25 V 7.60 3.67 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 0.77 0.00 0.00 0.93 0.00 0.00 26 G 8.63 3.84 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 0.00 0.00 0.00 27 K 8.68 4.02 0.00 1.78 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 M 7.93 4.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 29 I 8.15 4.39 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.16 1.15 0.00 0.00 30 S 8.65 4.27 0.00 3.78 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 31 A 8.24 4.15 0.46 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 0.00 0.00 32 T 7.73 4.69 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 0.95 0.00 0.00 33 Y 8.08 5.03 0.00 3.30 3.22 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 34 D 8.95 4.68 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.31 0.00 1.89 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 2.50 2.50 0.00 36 G 7.60 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 37 G 8.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 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 0.00 0.00 0.00 39 K 7.74 4.32 0.00 1.73 1.66 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 40 T 7.66 4.50 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 1.11 0.00 0.00 41 G 7.46 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.20 0.00 1.62 1.77 0.00 3.18 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 43 G 7.90 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.02 4.55 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.44 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 1.10 0.00 0.00 1.09 0.00 0.00 46 S 8.53 4.42 0.00 4.01 3.97 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 E 7.88 4.97 0.00 2.17 2.14 0.00 0.00 0.00 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 2.34 0.00 48 K 8.22 3.84 0.00 1.80 1.93 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.47 7.81 49 D 8.10 4.52 0.00 2.83 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 50 A 7.36 4.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.60 0.00 2.10 1.98 0.00 3.60 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 1.81 1.81 0.00 52 K 8.49 4.10 0.00 1.81 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.44 7.81 53 E 8.20 3.98 0.00 1.95 1.96 0.00 0.00 0.00 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 2.33 0.00 54 L 7.75 3.89 0.00 1.40 1.53 0.77 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.68 4.13 0.00 1.76 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.50 4.33 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 57 M 7.51 4.50 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 58 L 8.49 4.28 0.00 1.61 1.70 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.11 3.76 0.00 2.24 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 0.00 2.28 2.33 0.00 60 K 8.12 4.20 0.00 1.75 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 61 Q 8.56 4.53 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 62 K 8.62 4.18 0.00 1.78 1.70 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81