NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3574 8.3049 120.3262 54.9397 32.2686 172.4902 2 K 4.3987 8.0701 119.9805 54.0676 33.5043 174.7521 3 M 4.3987 9.6259 126.0183 54.4291 33.9295 177.7273 4 L 4.0844 8.4095 121.4157 56.9514 41.7244 179.7715 5 K 3.9418 7.9497 120.0445 59.4868 32.1664 178.3173 6 E 3.7899 7.8407 119.0231 59.0398 29.3589 179.0573 7 K 3.7273 7.9724 118.9014 59.7115 32.3137 178.4902 8 A 4.0351 7.9546 120.7987 54.9793 18.0310 179.8549 9 G 2.6599 7.5779 104.1723 47.3492 0.0000 175.9912 10 A 3.9288 7.5581 122.8770 54.8335 18.3786 179.7384 11 L 3.9468 7.9352 117.3526 57.7945 41.6961 179.4668 12 A 4.1527 8.0004 120.8863 55.0483 18.2816 179.8131 13 G 3.6252 7.8128 104.3428 48.1849 0.0000 175.9921 14 Q 4.1245 7.8117 119.8533 58.6995 28.7203 178.5999 15 I 3.7938 7.8919 121.8462 63.8546 37.1839 178.0615 16 W 4.0932 8.4124 129.2427 60.6993 30.3504 177.9559 17 E 4.0029 8.5251 116.8935 59.0633 28.9047 178.8715 18 A 4.1089 7.7644 120.3684 54.7986 18.4516 179.0878 19 L 4.0671 7.7369 116.2492 55.1797 41.8344 176.3792 20 N 4.1294 7.0856 118.6730 54.0799 39.1706 175.1284 21 G 3.8948 9.1899 113.9772 45.3479 0.0000 172.2219 22 T 4.6386 6.8971 112.3992 60.0977 70.4869 173.1034 23 E 4.3335 9.6999 120.7182 55.9210 30.3201 174.8418 24 G 3.8215 6.0913 107.5108 44.1025 0.0000 172.8303 25 L 4.9011 7.8788 123.1674 52.2769 45.7333 176.5151 26 T 4.9014 8.1677 111.8069 60.4643 71.9183 175.3636 27 Q 3.2426 8.1219 121.3648 59.3256 28.8622 178.8575 28 K 3.8546 8.1779 119.1408 59.6283 32.1152 179.4537 29 Q 4.0373 7.9140 117.7438 58.5614 28.7203 178.6153 30 I 3.6392 7.8594 121.4465 64.2766 37.1651 178.6563 31 K 4.3368 7.6998 120.7906 58.9764 31.8502 179.1366 32 K 3.8208 7.8416 120.4551 59.5794 32.0231 178.7846 33 A 4.1278 7.7655 120.6581 54.6840 18.8680 178.5006 34 T 4.1028 8.0678 105.5917 61.9969 69.4678 176.4185 35 K 3.8674 7.6987 118.7527 56.8240 29.8999 175.6847 36 L 4.0598 7.5319 119.4731 54.8431 41.4733 177.6801 37 K 4.0934 8.7413 124.0785 58.5293 32.7893 177.3386 38 A 4.7681 7.5393 120.0054 49.0866 22.4565 176.3861 39 D 4.2585 8.6275 120.5591 56.0846 38.8008 179.0136 40 K 4.1431 8.1553 119.8933 60.0254 32.1524 178.5668 41 D 4.2690 7.7781 117.5498 56.9072 40.6327 178.5539 42 F 4.1407 7.9026 120.9702 61.3046 39.3376 177.0434 43 F 4.2074 7.5615 116.8929 60.4585 38.4676 177.7459 44 L 4.1559 7.4329 117.3997 57.7603 41.6541 179.5230 45 G 3.7284 7.9508 105.4588 47.7325 0.0000 175.3689 46 L 3.9709 7.9981 123.5567 57.8483 42.1150 179.3750 47 G 3.6761 7.9869 105.1427 47.4440 0.0000 175.4133 48 W 4.0221 8.1990 130.3645 59.9601 30.6853 178.2318 49 L 3.9565 7.9479 118.8649 57.5615 41.0355 179.1169 50 L 4.0443 8.0665 119.4704 57.5426 41.2970 179.5921 51 R 3.8004 7.5920 114.9943 58.8961 29.3936 177.9538 52 E 4.2302 7.4017 115.6809 55.1554 29.8989 175.9782 53 D 4.5201 7.5230 117.6686 55.3008 39.0753 175.3290 54 K 4.2912 8.0942 120.9435 58.6428 32.3702 177.0484 55 V 5.1571 7.5175 110.1064 59.4216 36.1353 175.0486 56 V 4.6411 8.7978 121.2550 60.1299 34.2018 174.6246 57 T 4.9910 8.4271 113.8353 60.2177 71.2340 172.9153 58 S 4.6665 8.8295 117.7054 57.5609 66.7999 172.1960 59 E 5.0564 8.7603 124.7647 54.8286 30.7896 175.6045 60 V 4.2555 8.4673 125.9690 61.8175 33.2550 174.7905 61 E 3.8981 10.1403 127.1083 57.3206 26.8947 176.0980 62 G 3.9959 8.6399 106.8365 45.2043 0.0000 174.1171 63 E 4.3973 7.9374 119.9181 55.2165 30.6680 175.9083 64 I 4.5002 8.1821 123.5099 61.1646 37.5956 173.9624 65 F 4.8539 9.2148 130.7092 57.3400 40.6393 174.4057 66 V 4.8690 8.1385 126.0864 61.1185 34.8868 174.2065 67 K 4.6404 8.1158 123.5798 55.3510 36.1116 174.9276 68 L 4.4535 8.2885 121.7445 54.7870 42.4288 177.7018 69 V 3.7434 8.3889 123.0059 63.3789 30.3856 175.0742 70 L 4.4997 8.2320 127.1605 55.7162 43.1048 176.5863 71 E 4.6945 7.5277 116.0212 54.8155 32.3812 173.9423 72 H 4.4470 8.5356 118.4704 55.7225 29.3881 174.6400 73 H 4.8947 8.4143 117.7743 54.9961 31.9512 173.0008 74 H 4.9089 8.8780 121.0719 55.9880 29.0160 176.0472 75 H 4.4478 8.1248 121.4941 56.5792 27.1205 173.5897 76 H 4.6710 7.9435 117.8281 54.0621 27.8344 175.8343 77 H 4.4041 8.2973 126.6874 57.3004 29.5446 173.2268 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 4.36 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.07 4.40 0.00 1.79 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.52 7.81 3 M 9.63 4.40 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 4 L 8.41 4.08 0.00 1.66 1.73 0.92 0.68 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 5 K 7.95 3.94 0.00 1.89 1.82 0.00 1.85 0.00 0.00 2.15 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.82 7.81 6 E 7.84 3.79 0.00 2.07 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 2.28 2.27 0.00 7 K 7.97 3.73 0.00 1.77 1.99 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 8 A 7.95 4.04 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 9 G 7.58 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.56 3.93 1.26 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 0.00 0.00 0.00 11 L 7.94 3.95 0.00 1.82 1.71 0.94 0.75 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 12 A 8.00 4.15 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 0.00 0.00 0.00 0.00 0.00 13 G 7.81 3.63 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 0.00 0.00 0.00 14 Q 7.81 4.12 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 15 I 7.89 3.79 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 1.02 0.00 0.00 16 W 8.41 4.09 0.00 3.55 3.43 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 0.00 0.00 0.00 0.00 17 E 8.53 4.00 0.00 2.23 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 0.00 2.69 2.89 0.00 18 A 7.76 4.11 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 19 L 7.74 4.07 0.00 1.62 1.52 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.09 4.13 0.00 1.52 2.47 0.00 0.00 7.27 7.47 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 21 G 9.19 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 0.00 0.00 0.00 22 T 6.90 4.64 4.20 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 1.16 0.00 0.00 23 E 9.70 4.33 0.00 2.14 2.04 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 2.24 2.35 0.00 24 G 6.09 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 25 L 7.88 4.90 0.00 1.66 1.50 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.17 4.90 4.39 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 0.00 0.00 1.39 0.00 0.00 27 Q 8.12 3.24 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.95 0.00 0.00 0.00 0.00 0.00 1.90 1.18 0.00 28 K 8.18 3.85 0.00 1.81 1.79 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.60 7.81 29 Q 7.91 4.04 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 30 I 7.86 3.64 1.62 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 1.07 0.00 0.00 31 K 7.70 4.34 0.00 2.03 1.84 0.00 1.40 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.21 7.81 32 K 7.84 3.82 0.00 2.04 1.92 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 33 A 7.77 4.13 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 34 T 8.07 4.10 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 1.36 0.00 0.00 35 K 7.70 3.87 0.00 1.99 1.99 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.54 7.81 36 L 7.53 4.06 0.00 1.57 1.78 1.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.74 4.09 0.00 1.74 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.37 7.81 38 A 7.54 4.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.26 0.00 2.53 2.79 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 0.00 0.00 0.00 0.00 40 K 8.16 4.14 0.00 1.84 2.02 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.56 7.81 41 D 7.78 4.27 0.00 2.86 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 42 F 7.90 4.14 0.00 2.86 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 43 F 7.56 4.21 0.00 3.17 2.96 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 0.00 0.00 0.00 44 L 7.43 4.16 0.00 1.45 1.76 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.95 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 0.00 0.00 0.00 46 L 8.00 3.97 0.00 1.05 1.34 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.99 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 0.00 0.00 0.00 48 W 8.20 4.02 0.00 3.46 3.24 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 0.00 0.00 0.00 0.00 49 L 7.95 3.96 0.00 2.06 1.79 1.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.07 4.04 0.00 1.88 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.59 3.80 0.00 1.70 1.77 0.00 2.32 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.23 0.00 52 E 7.40 4.23 0.00 1.83 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 2.16 2.07 0.00 53 D 7.52 4.52 0.00 2.75 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 54 K 8.09 4.29 0.00 2.04 2.24 0.00 1.34 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.45 7.81 55 V 7.52 5.16 2.13 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 0.75 0.00 0.00 0.92 0.00 0.00 56 V 8.80 4.64 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 1.01 0.00 0.00 0.99 0.00 0.00 57 T 8.43 4.99 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 1.22 0.00 0.00 58 S 8.83 4.67 0.00 4.01 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 59 E 8.76 5.06 0.00 2.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 60 V 8.47 4.26 2.01 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 0.76 0.00 0.00 0.70 0.00 0.00 61 E 10.14 3.90 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 62 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 4.40 0.00 2.29 1.92 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 2.30 2.43 0.00 64 I 8.18 4.50 2.15 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 1.18 0.00 0.00 65 F 9.21 4.85 0.00 3.11 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 66 V 8.14 4.87 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 0.91 0.00 0.00 1.14 0.00 0.00 67 K 8.12 4.64 0.00 1.65 1.47 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.04 1.33 7.81 68 L 8.29 4.45 0.00 1.47 1.62 0.48 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.39 3.74 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 0.77 0.00 0.00 1.00 0.00 0.00 70 L 8.23 4.50 0.00 1.68 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.53 4.69 0.00 1.87 1.67 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 2.21 2.24 0.00 72 H 8.54 4.45 0.00 3.27 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.41 4.89 0.00 3.14 3.23 0.00 5.68 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 74 H 8.88 4.91 0.00 3.19 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.12 4.45 0.00 3.11 3.28 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.94 4.67 0.00 3.33 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.30 4.40 0.00 3.07 3.17 0.00 5.72 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